A0A096N951_PAPAN Loading...

Glycosyltransferase 8 domain-containing protein 2

AlphaFold DB (A0A2K6KAB1), UniProt , Accession A0A096N951, Species PAPAN (Papio anubis, Olive baboon), Gene GLT8D2, Length 349 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	57.6	Low	67.3	Low	218 Å²	218	126.1 Å²	126.1	100%	1.074	64%	0.638	S	S	*	*				0	-41.7	0	-81.2	-173	-91.8	0	0	114.3	L3 R5	M1-L3 PolarHBondContact O-N 3.37Å; M1-R5 PolarHBondContact O-N 3.47Å
2	A	57.9	Low	68.6	Low	76 Å²	76	124.4 Å²	124.4	63%	0.628	63%	0.631	S	S	*	*	H	α-helix	trans	-66.1	-34.4	-178.3	0	0	0	0	0	115.1	R5 K6	A2-R5 PolarHBondContact O-N 3.47Å; A2-K6 PolarHBondContact O-N 3.21Å
3	L	59.1	Low	70.1	Confident	128 Å²	128	125.5 Å²	125.5	67%	0.67	63%	0.629	S	S	*	*	H	α-helix	trans	-69.3	-42.1	179.5	-167.9	71.2	0	0	0	112.5	M1 R5 K6 I7	M1-L3 PolarHBondContact O-N 3.37Å; L3-R5 VanDerWaalsContact C-N 3.29Å; L3-R5 PolarHBondContact O-N 3.4Å; L3-K6 PolarHBondContact O-N 3.48Å; L3-I7 HydrophobicContact CG-CD1 4.16Å; L3-I7 WeakPolarHBondContact O-CG1 3.44Å; L3-I7 PolarHBondContact O-N 3.05Å
4	L	57.7	Low	70.9	Confident	124 Å²	124	123.5 Å²	123.5	65%	0.649	62%	0.621	S	S	*	*	H	α-helix	trans	-62.6	-36.7	175.9	-121.5	83.6	0	0	0	111.9	I7 N8	L4-I7 PolarHBondContact O-N 3.21Å; L4-N8 WeakPolarHBondContact O-CB 3.31Å; L4-N8 PolarHBondContact O-N 3.03Å
5	R	62.4	Low	71.8	Confident	193 Å²	193	122.4 Å²	122.4	73%	0.728	62%	0.617	S	S	*	*	H	α-helix	trans	-64.9	-40.9	175	-110.9	-179.5	179.6	177.9	-0	112.2	M1 A2 L3 Q9	M1-R5 PolarHBondContact O-N 3.47Å; A2-R5 PolarHBondContact O-N 3.47Å; L3-R5 VanDerWaalsContact C-N 3.29Å; L3-R5 PolarHBondContact O-N 3.4Å; R5-Q9 VanDerWaalsContact O-CG 3.31Å; R5-Q9 WeakPolarHBondContact O-CG 3.4Å; R5-Q9 PolarHBondContact O-N 2.97Å
6	K	64.1	Low	72.9	Confident	142 Å²	142	120.3 Å²	120.3	62%	0.617	61%	0.606	S	S	*	*	H	α-helix	trans	-66.9	-41.7	175.8	-77	-171.8	175.3	-173.5	0	112.2	A2 L3 Q9 V10	A2-K6 PolarHBondContact O-N 3.21Å; L3-K6 PolarHBondContact O-N 3.48Å; K6-Q9 PolarHBondContact O-N 3Å; K6-V10 WeakPolarHBondContact O-CG2 3.36Å; K6-V10 PolarHBondContact O-N 3.28Å
7	I	70.9	Confident	73.6	Confident	85 Å²	85	117.1 Å²	117.1	44%	0.436	59%	0.594	S	S	.	*	H	α-helix	trans	-64.5	-42.9	177.3	-66.6	167.1	0	0	0	110.6	L3 L4 Q9 V10 L11	L3-I7 HydrophobicContact CG-CD1 4.16Å; L3-I7 WeakPolarHBondContact O-CG1 3.44Å; L3-I7 PolarHBondContact O-N 3.05Å; L4-I7 PolarHBondContact O-N 3.21Å; I7-Q9 VanDerWaalsContact C-N 3.33Å; I7-Q9 PolarHBondContact O-N 3.43Å; I7-V10 PolarHBondContact O-N 2.95Å; I7-L11 HydrophobicContact CG2-CD1 3.92Å; I7-L11 WeakPolarHBondContact O-CG 3.37Å; I7-L11 PolarHBondContact O-N 2.97Å
8	N	73.5	Confident	74	Confident	103 Å²	103	115.1 Å²	115.1	55%	0.551	59%	0.589	S	S	*	*	H	α-helix	trans	-65.3	-33.8	175.5	-83.1	5.2	0	0	0	113.1	L4 L12	L4-N8 WeakPolarHBondContact O-CB 3.31Å; L4-N8 PolarHBondContact O-N 3.03Å; N8-L12 VanDerWaalsContact O-CB 3.23Å; N8-L12 WeakPolarHBondContact O-CB 3.5Å; N8-L12 PolarHBondContact O-N 3.29Å
9	Q	75.6	Confident	74.4	Confident	130 Å²	130	113.8 Å²	113.8	61%	0.607	58%	0.583	S	S	*	*	H	α-helix	trans	-68.3	-38.7	174.9	-78.3	176.1	-24.9	0	0	112.4	R5 K6 I7 F13	R5-Q9 VanDerWaalsContact O-CG 3.31Å; R5-Q9 WeakPolarHBondContact O-CG 3.4Å; R5-Q9 PolarHBondContact O-N 2.97Å; K6-Q9 PolarHBondContact O-N 3Å; I7-Q9 VanDerWaalsContact C-N 3.33Å; I7-Q9 PolarHBondContact O-N 3.43Å; Q9-F13 WeakPolarHBondContact O-CB 3.44Å; Q9-F13 PolarHBondContact O-N 3.29Å
10	V	80.7	Confident	74.7	Confident	88 Å²	88	111.8 Å²	111.8	53%	0.533	58%	0.578	S	S	.	*	H	α-helix	trans	-68.4	-43.2	176.2	172.9	0	0	0	0	111.2	K6 I7 F13 L14	K6-V10 WeakPolarHBondContact O-CG2 3.36Å; K6-V10 PolarHBondContact O-N 3.28Å; I7-V10 PolarHBondContact O-N 2.95Å; V10-F13 PolarHBondContact O-N 3.44Å; V10-L14 HydrophobicContact CG1-CD1 4.07Å; V10-L14 WeakPolarHBondContact O-CB 3.38Å; V10-L14 WeakPolarHBondContact O-CG 3.23Å; V10-L14 PolarHBondContact O-N 2.96Å
11	L	80.8	Confident	74.8	Confident	100 Å²	100	109.8 Å²	109.8	52%	0.524	57%	0.571	S	S	.	*	H	α-helix	trans	-63.6	-40.8	176.1	-75.5	165.7	0	0	0	112	I7 L14 L15	I7-L11 HydrophobicContact CG2-CD1 3.92Å; I7-L11 WeakPolarHBondContact O-CG 3.37Å; I7-L11 PolarHBondContact O-N 2.97Å; L11-L14 PolarHBondContact O-N 2.97Å; L11-L15 WeakPolarHBondContact O-CB 3.46Å; L11-L15 PolarHBondContact O-N 3.45Å
12	L	82.8	Confident	75.7	Confident	106 Å²	106	104.4 Å²	104.4	56%	0.555	55%	0.546	S	S	*	.	H	α-helix	trans	-65	-42	176	-174.5	66.2	0	0	0	111.5	N8 L15 I16	N8-L12 VanDerWaalsContact O-CB 3.23Å; N8-L12 WeakPolarHBondContact O-CB 3.5Å; N8-L12 PolarHBondContact O-N 3.29Å; L12-L15 PolarHBondContact O-N 3.46Å; L12-I16 HydrophobicContact CG-CD1 4.12Å; L12-I16 VanDerWaalsContact O-CG1 3.25Å; L12-I16 WeakPolarHBondContact O-CG1 3.43Å; L12-I16 PolarHBondContact O-N 3.43Å
13	F	87.6	Confident	76.6	Confident	139 Å²	139	105.1 Å²	105.1	61%	0.61	54%	0.539	S	S	*	.	H	α-helix	trans	-62.8	-45.7	175.9	-178.3	-98.8	0	0	0	111.8	Q9 V10 L15 I16 V17	Q9-F13 WeakPolarHBondContact O-CB 3.44Å; Q9-F13 PolarHBondContact O-N 3.29Å; V10-F13 PolarHBondContact O-N 3.44Å; F13-L15 VanDerWaalsContact C-N 3.33Å; F13-L15 PolarHBondContact O-N 2.91Å; F13-I16 PolarHBondContact O-N 3.43Å; F13-V17 HydrophobicContact CD1-CG2 4.24Å; F13-V17 HydrophobicContact CE1-CG2 3.86Å; F13-V17 HydrophobicContact CE2-CG2 4.46Å; F13-V17 HydrophobicContact CZ-CG2 3.98Å; F13-V17 WeakPolarHBondContact O-CG2 3.43Å; F13-V17 PolarHBondContact O-N 3.33Å
14	L	81.9	Confident	77.4	Confident	97 Å²	97	105.8 Å²	105.8	51%	0.508	53%	0.533	S	S	.	.	H	α-helix	trans	-59	-45.6	175.4	-78.4	165.8	0	0	0	111.1	V10 L11 I16 V17 T18	V10-L14 HydrophobicContact CG1-CD1 4.07Å; V10-L14 WeakPolarHBondContact O-CB 3.38Å; V10-L14 WeakPolarHBondContact O-CG 3.23Å; V10-L14 PolarHBondContact O-N 2.96Å; L11-L14 PolarHBondContact O-N 2.97Å; L14-I16 VanDerWaalsContact C-N 3.33Å; L14-I16 PolarHBondContact O-N 2.91Å; L14-V17 PolarHBondContact O-N 3.25Å; L14-T18 PolarHBondContact O-N 3.02Å; L14-T18 PolarHBondContact O-OG1 3.28Å
15	L	85.1	Confident	78	Confident	107 Å²	107	107 Å²	107	56%	0.56	53%	0.533	S	S	*	.	H	α-helix	trans	-63.1	-39.2	180	-161.9	134.4	0	0	0	112.2	L11 L12 F13 T18 L19	L11-L15 WeakPolarHBondContact O-CB 3.46Å; L11-L15 PolarHBondContact O-N 3.45Å; L12-L15 PolarHBondContact O-N 3.46Å; F13-L15 VanDerWaalsContact C-N 3.33Å; F13-L15 PolarHBondContact O-N 2.91Å; L15-T18 PolarHBondContact O-N 3.35Å; L15-L19 HydrophobicContact CD2-CD1 4.11Å; L15-L19 WeakPolarHBondContact O-CB 3.25Å; L15-L19 PolarHBondContact O-N 2.93Å
16	I	87.9	Confident	78.3	Confident	88 Å²	88	105.6 Å²	105.6	45%	0.451	53%	0.532	S	S	.	.	H	α-helix	trans	-63.3	-45.8	173.9	-68.7	165.1	0	0	0	110.7	L12 F13 L14 T18 L19 C20	L12-I16 HydrophobicContact CG-CD1 4.12Å; L12-I16 VanDerWaalsContact O-CG1 3.25Å; L12-I16 WeakPolarHBondContact O-CG1 3.43Å; L12-I16 PolarHBondContact O-N 3.43Å; F13-I16 PolarHBondContact O-N 3.43Å; L14-I16 VanDerWaalsContact C-N 3.33Å; L14-I16 PolarHBondContact O-N 2.91Å; I16-T18 PolarHBondContact O-N 2.94Å; I16-L19 PolarHBondContact O-N 3.28Å; I16-C20 WeakPolarHBondContact O-CB 3.26Å; I16-C20 PolarHBondContact O-N 3.19Å; I16-C20 PolarHBondContact O-SG 3.48Å
17	V	85.5	Confident	78.2	Confident	66 Å²	66	103 Å²	103	40%	0.4	53%	0.529	S	S	.	.	H	α-helix	trans	-61	-44.5	178	172.6	0	0	0	0	111	F13 L14 L19 C20 V21	F13-V17 HydrophobicContact CD1-CG2 4.24Å; F13-V17 HydrophobicContact CE1-CG2 3.86Å; F13-V17 HydrophobicContact CE2-CG2 4.46Å; F13-V17 HydrophobicContact CZ-CG2 3.98Å; F13-V17 WeakPolarHBondContact O-CG2 3.43Å; F13-V17 PolarHBondContact O-N 3.33Å; L14-V17 PolarHBondContact O-N 3.25Å; V17-L19 VanDerWaalsContact C-N 3.33Å; V17-L19 PolarHBondContact O-N 2.85Å; V17-C20 PolarHBondContact O-N 3.41Å; V17-V21 WeakPolarHBondContact O-CG2 3.35Å; V17-V21 PolarHBondContact O-N 2.99Å
18	T	81.1	Confident	77.3	Confident	81 Å²	81	104.6 Å²	104.6	50%	0.497	53%	0.534	S	S	.	.	H	α-helix	trans	-62.4	-41.6	177.8	-33.9	0	0	0	0	111.4	L14 L15 I16 V21 I22	L14-T18 PolarHBondContact O-N 3.02Å; L14-T18 PolarHBondContact O-OG1 3.28Å; L15-T18 PolarHBondContact O-N 3.35Å; I16-T18 PolarHBondContact O-N 2.94Å; T18-V21 PolarHBondContact O-N 3.47Å; T18-I22 HydrophobicContact CG2-CD1 4.33Å; T18-I22 VanDerWaalsContact O-CG1 3.25Å; T18-I22 WeakPolarHBondContact O-CG1 3.37Å; T18-I22 PolarHBondContact O-N 2.78Å
19	L	81.9	Confident	76	Confident	92 Å²	92	109.1 Å²	109.1	48%	0.482	55%	0.549	S	S	.	.	H	α-helix	trans	-66.6	-40.1	177.5	-128.4	131.7	0	0	0	111.7	L15 I16 V17 I22 L23	L15-L19 HydrophobicContact CD2-CD1 4.11Å; L15-L19 WeakPolarHBondContact O-CB 3.25Å; L15-L19 PolarHBondContact O-N 2.93Å; I16-L19 PolarHBondContact O-N 3.28Å; V17-L19 VanDerWaalsContact C-N 3.33Å; V17-L19 PolarHBondContact O-N 2.85Å; L19-I22 PolarHBondContact O-N 2.79Å; L19-L23 HydrophobicContact CD2-CD1 3.93Å; L19-L23 HydrophobicContact CD2-CG 4.43Å; L19-L23 WeakPolarHBondContact O-CB 3.44Å; L19-L23 VanDerWaalsContact O-CG 3.26Å; L19-L23 WeakPolarHBondContact O-CG 3.42Å; L19-L23 PolarHBondContact O-N 3.36Å
20	C	79.4	Confident	74.4	Confident	72 Å²	72	106 Å²	106	49%	0.486	55%	0.552	S	S	.	*	H	α-helix	trans	-62.8	-40.5	173.5	-72.4	0	0	0	0	111.9	I16 V17 L23 Y24	I16-C20 WeakPolarHBondContact O-CB 3.26Å; I16-C20 PolarHBondContact O-N 3.19Å; I16-C20 PolarHBondContact O-SG 3.48Å; V17-C20 PolarHBondContact O-N 3.41Å; C20-L23 PolarHBondContact O-N 2.96Å; C20-Y24 WeakPolarHBondContact O-CB 3.34Å; C20-Y24 PolarHBondContact O-N 2.9Å
21	V	76.9	Confident	72.2	Confident	71 Å²	71	106.9 Å²	106.9	43%	0.43	56%	0.557	S	S	.	*	H	α-helix	trans	-66.8	-40.9	175.9	171.1	0	0	0	0	111.4	V17 T18 Y24 K25	V17-V21 WeakPolarHBondContact O-CG2 3.35Å; V17-V21 PolarHBondContact O-N 2.99Å; T18-V21 PolarHBondContact O-N 3.47Å; V21-Y24 PolarHBondContact O-N 3.47Å; V21-K25 WeakPolarHBondContact O-CB 3.17Å; V21-K25 WeakPolarHBondContact O-CG 3.25Å; V21-K25 PolarHBondContact O-N 2.86Å
22	I	77.1	Confident	70	Confident	105 Å²	105	109.4 Å²	109.4	54%	0.538	58%	0.576	S	S	.	*	H	α-helix	trans	-65.4	-44.1	176.4	-68.2	164.9	0	0	0	110.6	T18 L19 K25 K26	T18-I22 HydrophobicContact CG2-CD1 4.33Å; T18-I22 VanDerWaalsContact O-CG1 3.25Å; T18-I22 WeakPolarHBondContact O-CG1 3.37Å; T18-I22 PolarHBondContact O-N 2.78Å; L19-I22 PolarHBondContact O-N 2.79Å; I22-K25 PolarHBondContact O-N 3.33Å; I22-K26 VanDerWaalsContact O-CB 3.31Å; I22-K26 WeakPolarHBondContact O-CB 3.41Å; I22-K26 PolarHBondContact O-N 2.89Å
23	L	75.8	Confident	67.5	Low	91 Å²	91	109.4 Å²	109.4	48%	0.476	59%	0.585	S	S	.	*	H	α-helix	trans	-66	-41.7	176.6	-73.2	170.2	0	0	0	111.7	L19 C20 K26 V27	L19-L23 HydrophobicContact CD2-CD1 3.93Å; L19-L23 HydrophobicContact CD2-CG 4.43Å; L19-L23 WeakPolarHBondContact O-CB 3.44Å; L19-L23 VanDerWaalsContact O-CG 3.26Å; L19-L23 WeakPolarHBondContact O-CG 3.42Å; L19-L23 PolarHBondContact O-N 3.36Å; C20-L23 PolarHBondContact O-N 2.96Å; L23-K26 PolarHBondContact O-N 3.39Å; L23-V27 WeakPolarHBondContact O-CB 3.31Å; L23-V27 VanDerWaalsContact O-CG2 3.25Å; L23-V27 WeakPolarHBondContact O-CG2 3.42Å; L23-V27 PolarHBondContact O-N 3.32Å
24	Y	77.4	Confident	65.2	Low	141 Å²	141	111.7 Å²	111.7	55%	0.553	60%	0.595	S	S	*	*	H	α-helix	trans	-59.6	-48.9	174.3	179.4	-98	0	0	0	111.2	C20 V21 K26 V27 H28	C20-Y24 WeakPolarHBondContact O-CB 3.34Å; C20-Y24 PolarHBondContact O-N 2.9Å; V21-Y24 PolarHBondContact O-N 3.47Å; Y24-K26 VanDerWaalsContact C-N 3.3Å; Y24-K26 PolarHBondContact O-N 2.84Å; Y24-V27 PolarHBondContact O-N 3.2Å; Y24-H28 AromaticContact CE2-CD2 3.77Å; Y24-H28 AromaticContact CE2-CE1 3.94Å; Y24-H28 AromaticContact CE2-NE2 3.61Å; Y24-H28 AromaticContact CZ-CD2 3.52Å; Y24-H28 AromaticContact CZ-NE2 3.77Å; Y24-H28 WeakPolarHBondContact O-CB 3.27Å; Y24-H28 PolarHBondContact O-N 2.88Å; Y24-H28 PolarHBondContact OH-CD2 3.44Å
25	K	70.1	Confident	62.9	Low	150 Å²	150	114.8 Å²	114.8	65%	0.652	61%	0.612	S	S	*	*	H	α-helix	trans	-60.1	-39.2	174.5	-78.1	-170.6	174.5	-171	0	112.1	V21 I22 K29	V21-K25 WeakPolarHBondContact O-CB 3.17Å; V21-K25 WeakPolarHBondContact O-CG 3.25Å; V21-K25 PolarHBondContact O-N 2.86Å; I22-K25 PolarHBondContact O-N 3.33Å; K25-K29 VanDerWaalsContact O-CB 3.27Å; K25-K29 WeakPolarHBondContact O-CB 3.25Å; K25-K29 PolarHBondContact O-N 3.48Å
26	K	69	Low	60.7	Low	163 Å²	163	117.5 Å²	117.5	71%	0.709	63%	0.627	S	S	*	*	H	α-helix	trans	-70.6	-36.6	179.6	-167.8	173.6	-179.1	177.8	0	112.7	I22 L23 Y24	I22-K26 VanDerWaalsContact O-CB 3.31Å; I22-K26 WeakPolarHBondContact O-CB 3.41Å; I22-K26 PolarHBondContact O-N 2.89Å; L23-K26 PolarHBondContact O-N 3.39Å; Y24-K26 VanDerWaalsContact C-N 3.3Å; Y24-K26 PolarHBondContact O-N 2.84Å
27	V	61.9	Low	58.2	Low	89 Å²	89	117.8 Å²	117.8	54%	0.539	64%	0.642	S	S	.	*	H	α-helix	trans	-76.2	-36.6	178.2	172.7	0	0	0	0	111.3	L23 Y24 T31	L23-V27 WeakPolarHBondContact O-CB 3.31Å; L23-V27 VanDerWaalsContact O-CG2 3.25Å; L23-V27 WeakPolarHBondContact O-CG2 3.42Å; L23-V27 PolarHBondContact O-N 3.32Å; Y24-V27 PolarHBondContact O-N 3.2Å; V27-T31 PolarHBondContact O-OG1 3.49Å
28	H	51.3	Low	56.2	Low	118 Å²	118	123 Å²	123	55%	0.546	67%	0.668	S	S	.	*	H	α-helix	trans	-84.7	-10	177.8	-80.1	27.6	0	0	0	114.7	Y24 G30	Y24-H28 AromaticContact CE2-CD2 3.77Å; Y24-H28 AromaticContact CE2-CE1 3.94Å; Y24-H28 AromaticContact CE2-NE2 3.61Å; Y24-H28 AromaticContact CZ-CD2 3.52Å; Y24-H28 AromaticContact CZ-NE2 3.77Å; Y24-H28 WeakPolarHBondContact O-CB 3.27Å; Y24-H28 PolarHBondContact O-N 2.88Å; Y24-H28 PolarHBondContact OH-CD2 3.44Å; H28-G30 PolarHBondContact O-N 3.37Å
29	K	46.4	Very low	54	Low	198 Å²	198	126 Å²	126	86%	0.861	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-2.1	168.3	-150.5	174.7	-173.6	-176.1	0	113.2	K25	K25-K29 VanDerWaalsContact O-CB 3.27Å; K25-K29 WeakPolarHBondContact O-CB 3.25Å; K25-K29 PolarHBondContact O-N 3.48Å
30	G	42.6	Very low	52.1	Low	65 Å²	65	131 Å²	131	67%	0.67	70%	0.702	S	S	*	*	S	Bend	trans	-122.9	9.8	-174	0	0	0	0	0	116.4	H28	H28-G30 PolarHBondContact O-N 3.37Å
31	T	33.2	Very low	50.2	Low	106 Å²	106	132.1 Å²	132.1	65%	0.65	71%	0.711	S	S	*	*			trans	-138	79.2	-179	-34	0	0	0	0	111.1	V27	V27-T31 PolarHBondContact O-OG1 3.49Å
32	V	34.4	Very low	48.4	Very low	152 Å²	152	137.6 Å²	137.6	92%	0.921	73%	0.731	S	S	*	*			trans	-96.3	100.5	159.8	177	0	0	0	0	106.4
33	S	32	Very low	46.5	Very low	106 Å²	106	138 Å²	138	74%	0.741	74%	0.739	S	S	*	*			trans	-95.9	125.3	168.7	-160.5	0	0	0	0	108.2	N35	S33-N35 PolarHBondContact O-N 3.01Å
34	K	39	Very low	44.9	Very low	187 Å²	187	139.5 Å²	139.5	81%	0.813	75%	0.754	S	S	*	*			trans	-39.1	127.6	166.4	-111.4	170.4	171	174.8	0	111.4
35	N	32.4	Very low	43.3	Very low	162 Å²	162	140.6 Å²	140.6	87%	0.866	76%	0.764	S	S	*	*			trans	-157.6	130.9	144.6	-89.5	-24.5	0	0	0	109.2	S33	S33-N35 PolarHBondContact O-N 3.01Å
36	D	39	Very low	42.2	Very low	165 Å²	165	142.5 Å²	142.5	88%	0.882	78%	0.775	S	S	*	*			trans	-64.4	126.6	-177.4	-58.4	-53.7	0	0	0	112.1
37	A	35.3	Very low	41.5	Very low	93 Å²	93	142.1 Å²	142.1	77%	0.769	78%	0.78	S	S	*	*			trans	-170.3	128.4	147	0	0	0	0	0	108.3	D39	A37-D39 PolarHBondContact O-N 3.13Å; A37-D39 VanDerWaalsContact O-N 3.13Å
38	D	43.6	Very low	41.5	Very low	177 Å²	177	144.7 Å²	144.7	95%	0.947	79%	0.786	S	S	*	*			trans	-50.6	110.5	177.6	-64.9	-46.4	0	0	0	112.1
39	D	35.1	Very low	42.9	Very low	144 Å²	144	145.1 Å²	145.1	77%	0.77	79%	0.789	S	S	*	*			trans	-150.4	106.8	156.1	-158	13.6	0	0	0	106.2	A37 S41	A37-D39 PolarHBondContact O-N 3.13Å; A37-D39 VanDerWaalsContact O-N 3.13Å; D39-S41 PolarHBondContact O-N 2.78Å
40	E	42.1	Very low	45.2	Very low	196 Å²	196	138.7 Å²	138.7	92%	0.916	76%	0.762	S	S	*	*			trans	-67.1	74.6	172.4	-77.1	178.7	156.9	0	0	108.5	E42	E40-E42 PolarHBondContact O-N 3.19Å
41	S	38.9	Very low	47.8	Very low	96 Å²	96	135.6 Å²	135.6	67%	0.671	73%	0.73	S	S	*	*			trans	-79.3	93.8	161.6	72.2	0	0	0	0	106.8	D39 T43	D39-S41 PolarHBondContact O-N 2.78Å; S41-T43 PolarHBondContact O-N 2.93Å
42	E	40	Very low	50.9	Low	186 Å²	186	130.6 Å²	130.6	87%	0.869	70%	0.699	S	S	*	*			trans	-46.2	109.4	161.7	-73.6	178	167.6	0	0	107.5	E40	E40-E42 PolarHBondContact O-N 3.19Å
43	T	37.2	Very low	54	Low	113 Å²	113	123.3 Å²	123.3	69%	0.693	66%	0.655	S	S	*	*			trans	-50.3	131	159.9	42.2	0	0	0	0	106.3	S41 E45	S41-T43 PolarHBondContact O-N 2.93Å; T43-E45 PolarHBondContact O-N 2.79Å
44	P	41.8	Very low	57.2	Low	122 Å²	122	118.3 Å²	118.3	79%	0.792	62%	0.62	S	S	*	*			trans	-58.5	109.8	174.8	16.9	-17.9	0	0	0	105.6	E46	P44-E46 PolarHBondContact O-N 3.5Å
45	E	44.8	Very low	60	Low	165 Å²	165	109.4 Å²	109.4	77%	0.771	58%	0.581	S	S	*	*			trans	-47.6	117.4	166.6	-73.9	179.3	160.6	0	0	104.4	T43 L47	T43-E45 PolarHBondContact O-N 2.79Å; E45-L47 PolarHBondContact O-N 2.93Å
46	E	46.3	Very low	63.1	Low	189 Å²	189	102 Å²	102	88%	0.883	54%	0.542	S	S	*	.			trans	-56.9	97.5	161.4	-78.1	-177.4	162.5	0	0	103.5	P44 E48	P44-E46 PolarHBondContact O-N 3.5Å; E46-E48 PolarHBondContact O-N 3.33Å
47	L	54.2	Low	65.9	Low	155 Å²	155	94.1 Å²	94.1	81%	0.812	50%	0.5	S	S	*	.			trans	-51.3	109.1	178	-77.3	164.6	0	0	0	105.2	E45 E49	E45-L47 PolarHBondContact O-N 2.93Å; L47-E49 PolarHBondContact O-N 2.92Å
48	E	61.6	Low	68.7	Low	143 Å²	143	90.6 Å²	90.6	67%	0.668	47%	0.471	S	S	*	.			trans	-50.5	122.1	176.9	-76.1	-176.1	167.9	0	0	107	E46 E50 N79	E46-E48 PolarHBondContact O-N 3.33Å; E48-E50 VanDerWaalsContact C-N 3.35Å; E48-E50 PolarHBondContact O-N 2.7Å; E48-N79 HydrophobicContact CB-CB 4.18Å
49	E	81.7	Confident	70.9	Confident	127 Å²	127	84.4 Å²	84.4	59%	0.593	44%	0.444	S	S	*	.			trans	-63.3	99.8	-176.1	-172.1	174.3	179.4	0	0	108.1	L47 I51 Y169	L47-E49 PolarHBondContact O-N 2.92Å; E49-I51 PolarHBondContact O-N 3.41Å; E49-Y169 HydrophobicContact CG-CE1 4.48Å; E49-Y169 WeakPolarHBondContact OE1-CE1 3.45Å
50	E	93.6	Very high	73.6	Confident	63 Å²	63	80.4 Å²	80.4	29%	0.294	44%	0.437	S	S	.	.			trans	-61.8	119.4	178.8	-176.5	-176.2	-117.6	0	0	108.8	E48 P52 N79 L81 H149	E48-E50 VanDerWaalsContact C-N 3.35Å; E48-E50 PolarHBondContact O-N 2.7Å; E50-P52 WeakPolarHBondContact O-CD 3.41Å; E50-N79 CarbonylContact C-O 3.54Å; E50-N79 WeakPolarHBondContact CA-O 3.43Å; E50-L81 HydrophobicContact CG-CB 3.52Å; E50-L81 WeakPolarHBondContact OE1-CB 3.5Å; E50-L81 WeakPolarHBondContact OE2-CD2 3.38Å; E50-H149 IonicContact OE2-CE1 3.94Å; E50-H149 PolarHBondContact OE2-CE1 3.03Å; E50-H149 VanDerWaalsContact OE2-CE1 3.22Å; E50-H149 IonicContact OE2-NE2 3.75Å
51	I	97.9	Very high	76	Confident	1 Å²	1	74.3 Å²	74.3	1%	0.005	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	108.7	179.5	-60.5	-176.5	0	0	0	109.3	E49 V53 A78 N79 I80 L81 I153 Q166 Y169	E49-I51 PolarHBondContact O-N 3.41Å; I51-V53 HydrophobicContact CG2-CG2 4.2Å; I51-V53 PolarHBondContact O-N 3.35Å; I51-A78 HydrophobicContact CD1-CB 3.77Å; I51-N79 PolarHBondContact N-O 3.35Å; I51-I80 WeakPolarHBondContact O-CA 3.5Å; I51-L81 PolarHBondContact O-N 2.85Å; I51-I153 HydrophobicContact CG2-CD1 4.14Å; I51-Q166 HydrophobicContact CD1-CB 3.9Å; I51-Q166 HydrophobicContact CD1-CG 4.12Å; I51-Y169 HydrophobicContact CD1-CD1 4.33Å; I51-Y169 HydrophobicContact CD1-CG 4.26Å; I51-Y169 HydrophobicContact CG1-CD1 4.12Å; I51-Y169 HydrophobicContact CG1-CE1 4.47Å; I51-Y169 HydrophobicContact CG1-CG 4.19Å; I51-Y169 HydrophobicContact CG2-CD2 3.67Å; I51-Y169 HydrophobicContact CG2-CE2 4.2Å; I51-Y169 HydrophobicContact CG2-CG 3.89Å
52	P	98.5	Very high	78.7	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	118.3	178.7	32.3	-36.7	0	0	0	111.3	E50 L81 Y83 H149 K151 V152 I153 Y169	E50-P52 WeakPolarHBondContact O-CD 3.41Å; P52-L81 WeakPolarHBondContact CA-O 3.43Å; P52-Y83 HydrophobicContact CB-CD2 4.11Å; P52-Y83 HydrophobicContact CB-CE2 3.88Å; P52-H149 HydrophobicContact CB-CB 4.34Å; P52-H149 HydrophobicContact CG-CB 3.75Å; P52-K151 WeakPolarHBondContact CG-O 3.32Å; P52-V152 HydrophobicContact CB-CB 4.41Å; P52-V152 HydrophobicContact CB-CG1 4.03Å; P52-V152 HydrophobicContact CG-CB 4.01Å; P52-V152 HydrophobicContact CG-CG1 3.66Å; P52-I153 PolarHBondContact O-N 2.97Å; P52-Y169 HydrophobicContact CG-CE2 4.45Å
53	V	98.8	Very high	81.4	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	118.8	176.5	-179.2	0	0	0	0	109.8	I51 I72 I80 L81 F82 Y83 I153 L155 I165	I51-V53 HydrophobicContact CG2-CG2 4.2Å; I51-V53 PolarHBondContact O-N 3.35Å; V53-I72 HydrophobicContact CG1-CD1 4.21Å; V53-I80 HydrophobicContact CB-CG2 4.25Å; V53-I80 HydrophobicContact CG2-CG2 3.83Å; V53-L81 PolarHBondContact N-O 2.74Å; V53-F82 HydrophobicContact CB-CD1 4.03Å; V53-F82 HydrophobicContact CB-CE1 4.22Å; V53-F82 HydrophobicContact CG1-CD1 4.2Å; V53-F82 HydrophobicContact CG1-CE1 4.24Å; V53-F82 CarbonylContact O-C 3.59Å; V53-F82 WeakPolarHBondContact O-CA 3.3Å; V53-Y83 PolarHBondContact O-N 3.22Å; V53-I153 CarbonylContact C-O 3.54Å; V53-I153 HydrophobicContact CG2-CB 4.45Å; V53-L155 HydrophobicContact CG1-CD1 4.12Å; V53-I165 HydrophobicContact CG2-CG1 4.43Å
54	V	98.9	Very high	84.3	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	123.1	179.6	-171.5	0	0	0	0	109.7	Y83 V85 L142 I146 V152 I153 Y154 L155	V54-Y83 WeakPolarHBondContact CA-O 3.37Å; V54-V85 HydrophobicContact CG1-CG2 3.72Å; V54-L142 HydrophobicContact CB-CD2 4.24Å; V54-L142 HydrophobicContact CG1-CD2 3.91Å; V54-L142 HydrophobicContact CG2-CD2 4.29Å; V54-I146 HydrophobicContact CG2-CG1 4Å; V54-V152 HydrophobicContact CG2-CB 4.33Å; V54-V152 HydrophobicContact CG2-CG2 4.25Å; V54-I153 PolarHBondContact N-O 3.24Å; V54-Y154 HydrophobicContact CB-CD2 4.15Å; V54-Y154 HydrophobicContact CG1-CD2 4.04Å; V54-Y154 WeakPolarHBondContact O-CA 3.3Å; V54-L155 PolarHBondContact O-N 2.83Å; V54-L155 VanDerWaalsContact O-N 3.07Å
55	I	98.6	Very high	87	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	143.2	177.9	-164	172.8	0	0	0	110.8	T65 A68 I69 Y83 V84 V85 D157	I55-T65 HydrophobicContact CB-CG2 4.47Å; I55-T65 HydrophobicContact CD1-CG2 3.91Å; I55-T65 HydrophobicContact CG1-CG2 3.98Å; I55-T65 HydrophobicContact CG2-CG2 3.78Å; I55-A68 HydrophobicContact CD1-CB 3.5Å; I55-I69 HydrophobicContact CD1-CG1 4.39Å; I55-I69 HydrophobicContact CG2-CD1 3.95Å; I55-I69 HydrophobicContact CG2-CG1 3.96Å; I55-Y83 PolarHBondContact N-O 2.98Å; I55-V84 HydrophobicContact CG2-CG2 4.31Å; I55-V84 WeakPolarHBondContact O-CA 3.44Å; I55-V85 PolarHBondContact O-N 2.81Å; I55-D157 HydrophobicContact CG1-CB 4.43Å
56	C	98.3	Very high	89.5	Confident	7 Å²	7	41.9 Å²	41.9	5%	0.047	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	145.6	-179.8	-66	0	0	0	0	111.7	T65 V85 L135	C56-T65 WeakPolarHBondContact O-CG2 3.47Å; C56-T65 PolarHBondContact O-OG1 2.88Å; C56-V85 CarbonylContact C-O 3.56Å; C56-V85 WeakPolarHBondContact CA-O 3.21Å; C56-L135 HydrophobicContact CB-CB 4.06Å; C56-L135 HydrophobicContact CB-CD1 4.29Å
57	A	97	Very high	92	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.183	C	C	.	.			trans	-123.3	76.8	178.1	0	0	0	0	0	111.4	M62 T65 V84 V85 I94	A57-M62 HydrophobicContact CB-CE 4.48Å; A57-M62 HydrophobicContact CB-CG 4.46Å; A57-T65 WeakPolarHBondContact CA-OG1 3.37Å; A57-T65 HydrophobicContact CB-CG2 4.03Å; A57-V84 HydrophobicContact CB-CG1 3.77Å; A57-V85 PolarHBondContact N-O 2.9Å; A57-I94 HydrophobicContact CB-CD1 3.53Å; A57-I94 HydrophobicContact CB-CG1 3.72Å
58	A	93.2	Very high	94.1	Very high	18 Å²	18	25.5 Å²	25.5	15%	0.149	14%	0.144	C	C	.	.			trans	-65.9	144.4	173.8	0	0	0	0	0	110.8	G60 R61 M62 L135	A58-G60 PolarHBondContact O-N 3.22Å; A58-G60 VanDerWaalsContact O-N 3.08Å; A58-R61 HydrophobicContact CB-CB 4.22Å; A58-R61 CarbonylContact O-C 3.59Å; A58-R61 PolarHBondContact O-N 3.48Å; A58-M62 PolarHBondContact O-N 3.05Å; A58-L135 HydrophobicContact CB-CD1 3.97Å
59	A	90.9	Very high	95.9	Very high	48 Å²	48	18.7 Å²	18.7	40%	0.397	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-37.9	-173.5	0	0	0	0	0	114.4	T90 R93	A59-T90 HydrophobicContact CB-CG2 3.67Å; A59-R93 PolarHBondContact O-NH1 2.75Å
60	G	90.8	Very high	96.7	Very high	59 Å²	59	12.9 Å²	12.9	61%	0.608	9%	0.085	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-6.2	178.4	0	0	0	0	0	115	A58	A58-G60 PolarHBondContact O-N 3.22Å; A58-G60 VanDerWaalsContact O-N 3.08Å
61	R	92.8	Very high	97	Very high	69 Å²	69	9.9 Å²	9.9	26%	0.26	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	10.3	-178.4	-61.2	176.9	60.2	154.1	-1.5	112.8	A58 G63 A64 T65 D157 D158 W321	A58-R61 HydrophobicContact CB-CB 4.22Å; A58-R61 CarbonylContact O-C 3.59Å; A58-R61 PolarHBondContact O-N 3.48Å; R61-G63 PolarHBondContact O-N 3.05Å; R61-A64 HydrophobicContact CB-CB 4.48Å; R61-A64 WeakPolarHBondContact O-CA 3.47Å; R61-A64 WeakPolarHBondContact O-CB 3.15Å; R61-A64 PolarHBondContact O-N 3.44Å; R61-T65 PolarHBondContact O-N 3.38Å; R61-T65 PolarHBondContact O-OG1 3.4Å; R61-D157 IonicContact CZ-OD1 3.75Å; R61-D157 IonicContact CZ-OD2 3.82Å; R61-D157 VanDerWaalsContact NE-CG 3.3Å; R61-D157 IonicContact NE-OD1 3.09Å; R61-D157 PolarHBondContact NE-OD1 3.03Å; R61-D157 IonicContact NE-OD2 3.96Å; R61-D157 PolarHBondContact NE-OD2 2.94Å; R61-D157 IonicContact NH2-OD1 3.97Å; R61-D157 PolarHBondContact NH2-OD1 3.03Å; R61-D157 IonicContact NH2-OD2 2.84Å; R61-D158 IonicContact CZ-OD2 2.6Å; R61-D158 IonicContact NH1-OD2 2.75Å; R61-D158 IonicContact NH2-OD1 3.05Å; R61-D158 PolarHBondContact NH2-OD1 2.95Å; R61-D158 IonicContact NH2-OD2 2.72Å; R61-D158 PolarHBondContact NH2-OD2 3.22Å; R61-W321 HydrophobicContact CG-CZ2 4.44Å
62	M	95.7	Very high	97	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.8	-33.3	-174.5	-171	172.9	-60.2	0	0	112.7	A57 A58 A64 T65 M66 R93 I94 W97	A57-M62 HydrophobicContact CB-CE 4.48Å; A57-M62 HydrophobicContact CB-CG 4.46Å; A58-M62 PolarHBondContact O-N 3.05Å; M62-A64 PolarHBondContact O-N 2.88Å; M62-T65 WeakPolarHBondContact O-CB 3.28Å; M62-T65 PolarHBondContact O-N 3.45Å; M62-M66 HydrophobicContact CG-CE 3.65Å; M62-M66 WeakPolarHBondContact O-CG 3.49Å; M62-M66 PolarHBondContact O-N 3.2Å; M62-M66 HydrophobicContact SD-CE 4.23Å; M62-R93 HydrophobicContact CE-CB 4.15Å; M62-R93 HydrophobicContact CE-CG 4.2Å; M62-R93 HydrophobicContact SD-CB 4.16Å; M62-R93 HydrophobicContact SD-CG 3.73Å; M62-I94 HydrophobicContact CE-CD1 4.34Å; M62-I94 HydrophobicContact CE-CG1 3.42Å; M62-I94 VanDerWaalsContact CE-CG1 3.42Å; M62-I94 HydrophobicContact SD-CG1 3.94Å; M62-W97 HydrophobicContact CB-CE3 4.16Å; M62-W97 HydrophobicContact CB-CH2 4.39Å; M62-W97 HydrophobicContact CB-CZ3 3.66Å; M62-W97 HydrophobicContact CG-CD2 4.43Å; M62-W97 HydrophobicContact CG-CE3 3.57Å; M62-W97 HydrophobicContact CG-CZ3 3.62Å; M62-W97 HydrophobicContact SD-CE3 3.52Å; M62-W97 VanDerWaalsContact SD-CE3 3.52Å; M62-W97 HydrophobicContact SD-CZ3 3.95Å
63	G	97.1	Very high	97	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-64.3	-28.2	173.4	0	0	0	0	0	113.2	R61 M66 A67 W97	R61-G63 PolarHBondContact O-N 3.05Å; G63-M66 PolarHBondContact O-N 3.31Å; G63-A67 PolarHBondContact O-N 3.06Å; G63-W97 VanDerWaalsContact N-CH2 3.3Å
64	A	97.4	Very high	97	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-70.3	-45.2	172.8	0	0	0	0	0	112.4	R61 M62 M66 A67 A68 D157 W321 W331	R61-A64 HydrophobicContact CB-CB 4.48Å; R61-A64 WeakPolarHBondContact O-CA 3.47Å; R61-A64 WeakPolarHBondContact O-CB 3.15Å; R61-A64 PolarHBondContact O-N 3.44Å; M62-A64 PolarHBondContact O-N 2.88Å; A64-M66 VanDerWaalsContact C-N 3.27Å; A64-M66 PolarHBondContact O-N 2.71Å; A64-A67 PolarHBondContact O-N 3.12Å; A64-A67 VanDerWaalsContact O-N 3.17Å; A64-A68 PolarHBondContact O-N 3.2Å; A64-D157 CarbonylContact C-O 3.6Å; A64-D157 VanDerWaalsContact CB-O 3.26Å; A64-D157 WeakPolarHBondContact CB-O 3.48Å; A64-W321 HydrophobicContact CB-CD2 4.47Å; A64-W321 HydrophobicContact CB-CE3 3.94Å; A64-W321 HydrophobicContact CB-CH2 3.38Å; A64-W321 HydrophobicContact CB-CZ2 4.02Å; A64-W321 HydrophobicContact CB-CZ3 3.38Å; A64-W331 VanDerWaalsContact CA-CZ2 3.49Å; A64-W331 HydrophobicContact CB-CH2 3.73Å; A64-W331 HydrophobicContact CB-CZ2 3.66Å
65	T	98.4	Very high	97	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-53.5	-45.5	170	-44.9	0	0	0	0	111.9	I55 C56 A57 R61 M62 A68 I69 V84	I55-T65 HydrophobicContact CB-CG2 4.47Å; I55-T65 HydrophobicContact CD1-CG2 3.91Å; I55-T65 HydrophobicContact CG1-CG2 3.98Å; I55-T65 HydrophobicContact CG2-CG2 3.78Å; C56-T65 WeakPolarHBondContact O-CG2 3.47Å; C56-T65 PolarHBondContact O-OG1 2.88Å; A57-T65 WeakPolarHBondContact CA-OG1 3.37Å; A57-T65 HydrophobicContact CB-CG2 4.03Å; R61-T65 PolarHBondContact O-N 3.38Å; R61-T65 PolarHBondContact O-OG1 3.4Å; M62-T65 WeakPolarHBondContact O-CB 3.28Å; M62-T65 PolarHBondContact O-N 3.45Å; T65-A68 PolarHBondContact O-N 3.49Å; T65-I69 HydrophobicContact CG2-CD1 3.88Å; T65-I69 HydrophobicContact CG2-CG1 4.46Å; T65-I69 WeakPolarHBondContact O-CB 3.44Å; T65-I69 VanDerWaalsContact O-CG1 3.27Å; T65-I69 WeakPolarHBondContact O-CG1 3.45Å; T65-I69 PolarHBondContact O-N 3.3Å; T65-V84 HydrophobicContact CG2-CG1 4.21Å
66	M	98.6	Very high	96.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-68.8	-36.2	-178.6	-58.8	-53.1	159.3	0	0	112.3	M62 G63 A64 I69 N70 I94 W97 I98 L103 V336	M62-M66 HydrophobicContact CG-CE 3.65Å; M62-M66 WeakPolarHBondContact O-CG 3.49Å; M62-M66 PolarHBondContact O-N 3.2Å; M62-M66 HydrophobicContact SD-CE 4.23Å; G63-M66 PolarHBondContact O-N 3.31Å; A64-M66 VanDerWaalsContact C-N 3.27Å; A64-M66 PolarHBondContact O-N 2.71Å; M66-I69 HydrophobicContact SD-CD1 4.44Å; M66-N70 WeakPolarHBondContact O-CB 3.44Å; M66-N70 PolarHBondContact O-N 3.26Å; M66-I94 HydrophobicContact CE-CG2 4.45Å; M66-W97 HydrophobicContact CE-CB 3.94Å; M66-W97 HydrophobicContact CE-CD2 4.35Å; M66-W97 HydrophobicContact CE-CG 4.09Å; M66-W97 HydrophobicContact CG-CD2 3.89Å; M66-W97 HydrophobicContact CG-CG 3.94Å; M66-W97 HydrophobicContact CG-CZ2 4.21Å; M66-W97 HydrophobicContact SD-CG 4.34Å; M66-I98 HydrophobicContact CE-CG1 4.07Å; M66-I98 HydrophobicContact SD-CG1 3.86Å; M66-L103 HydrophobicContact CB-CD1 4.06Å; M66-L103 HydrophobicContact CG-CD1 4.44Å; M66-L103 HydrophobicContact SD-CD1 3.86Å; M66-V336 HydrophobicContact CB-CB 3.84Å; M66-V336 HydrophobicContact CB-CG1 4.49Å; M66-V336 HydrophobicContact CB-CG2 4.06Å
67	A	98.5	Very high	96.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.8	-45.6	174.2	0	0	0	0	0	111.6	G63 A64 N70 S71 I160 W331 W334	G63-A67 PolarHBondContact O-N 3.06Å; A64-A67 PolarHBondContact O-N 3.12Å; A64-A67 VanDerWaalsContact O-N 3.17Å; A67-N70 PolarHBondContact O-N 3.3Å; A67-S71 PolarHBondContact O-N 3.46Å; A67-I160 HydrophobicContact CB-CD1 4.4Å; A67-W331 HydrophobicContact CB-CD2 4.48Å; A67-W331 HydrophobicContact CB-CH2 4.15Å; A67-W331 HydrophobicContact CB-CZ2 3.72Å; A67-W334 WeakPolarHBondContact CA-O 3.31Å; A67-W334 HydrophobicContact CB-CB 4.46Å
68	A	98.8	Very high	96.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.1	-50.6	175.8	0	0	0	0	0	111.7	I55 A64 T65 N70 S71 I72 V159	I55-A68 HydrophobicContact CD1-CB 3.5Å; A64-A68 PolarHBondContact O-N 3.2Å; T65-A68 PolarHBondContact O-N 3.49Å; A68-N70 VanDerWaalsContact C-N 3.31Å; A68-N70 PolarHBondContact O-N 3Å; A68-S71 PolarHBondContact O-N 2.82Å; A68-S71 PolarHBondContact O-OG 3.27Å; A68-I72 WeakPolarHBondContact O-CD1 3.33Å; A68-I72 VanDerWaalsContact O-CG1 3.29Å; A68-I72 WeakPolarHBondContact O-CG1 3.46Å; A68-I72 PolarHBondContact O-N 3.4Å; A68-V159 HydrophobicContact CB-CG2 4.08Å; A68-V159 WeakPolarHBondContact CB-O 3.36Å
69	I	98.9	Very high	97	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-55.6	-46.7	175.4	-71.4	170.3	0	0	0	110.9	I55 T65 M66 S71 I72 Y73 F82 V84 L103 I106	I55-I69 HydrophobicContact CD1-CG1 4.39Å; I55-I69 HydrophobicContact CG2-CD1 3.95Å; I55-I69 HydrophobicContact CG2-CG1 3.96Å; T65-I69 HydrophobicContact CG2-CD1 3.88Å; T65-I69 HydrophobicContact CG2-CG1 4.46Å; T65-I69 WeakPolarHBondContact O-CB 3.44Å; T65-I69 VanDerWaalsContact O-CG1 3.27Å; T65-I69 WeakPolarHBondContact O-CG1 3.45Å; T65-I69 PolarHBondContact O-N 3.3Å; M66-I69 HydrophobicContact SD-CD1 4.44Å; I69-S71 VanDerWaalsContact C-N 3.34Å; I69-S71 PolarHBondContact O-N 3.02Å; I69-I72 PolarHBondContact O-N 2.96Å; I69-Y73 WeakPolarHBondContact O-CB 3.2Å; I69-Y73 PolarHBondContact O-N 3.02Å; I69-F82 HydrophobicContact CB-CE1 4.4Å; I69-F82 HydrophobicContact CG1-CD1 4.04Å; I69-F82 HydrophobicContact CG1-CE1 4.2Å; I69-F82 HydrophobicContact CG2-CD1 4.33Å; I69-F82 HydrophobicContact CG2-CD2 4.3Å; I69-F82 HydrophobicContact CG2-CE1 4.13Å; I69-F82 HydrophobicContact CG2-CE2 4.09Å; I69-F82 HydrophobicContact CG2-CG 4.41Å; I69-F82 HydrophobicContact CG2-CZ 3.99Å; I69-V84 HydrophobicContact CD1-CG2 3.84Å; I69-L103 HydrophobicContact CB-CD1 4.39Å; I69-L103 HydrophobicContact CG2-CD1 3.99Å; I69-L103 HydrophobicContact CG2-CD2 4.12Å; I69-I106 HydrophobicContact CG2-CD1 3.61Å
70	N	98.8	Very high	97.3	Very high	5 Å²	5	29.1 Å²	29.1	3%	0.027	17%	0.166	C	C	.	.	H	α-helix	trans	-62.6	-40.5	-179.9	-176.4	57.7	0	0	0	112.3	M66 A67 A68 S74 K102 L103 W334 V336	M66-N70 WeakPolarHBondContact O-CB 3.44Å; M66-N70 PolarHBondContact O-N 3.26Å; A67-N70 PolarHBondContact O-N 3.3Å; A68-N70 VanDerWaalsContact C-N 3.31Å; A68-N70 PolarHBondContact O-N 3Å; N70-S74 VanDerWaalsContact O-CB 3.27Å; N70-S74 WeakPolarHBondContact O-CB 3.42Å; N70-S74 PolarHBondContact O-N 3.14Å; N70-S74 VanDerWaalsContact O-N 3.09Å; N70-S74 PolarHBondContact O-OG 3.12Å; N70-K102 VanDerWaalsContact CG-CE 3.4Å; N70-K102 VanDerWaalsContact ND2-CE 3.31Å; N70-K102 WeakPolarHBondContact ND2-CE 3.37Å; N70-K102 PolarHBondContact ND2-NZ 3.47Å; N70-K102 WeakPolarHBondContact OD1-CE 3.48Å; N70-K102 PolarHBondContact OD1-NZ 2.89Å; N70-L103 HydrophobicContact CB-CD2 3.9Å; N70-W334 PolarHBondContact ND2-O 3.3Å; N70-V336 HydrophobicContact CB-CG2 3.68Å
71	S	98.8	Very high	97.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65	-38.6	176	73.5	0	0	0	0	112.5	A67 A68 I69 N75 V161	A67-S71 PolarHBondContact O-N 3.46Å; A68-S71 PolarHBondContact O-N 2.82Å; A68-S71 PolarHBondContact O-OG 3.27Å; I69-S71 VanDerWaalsContact C-N 3.34Å; I69-S71 PolarHBondContact O-N 3.02Å; S71-N75 WeakPolarHBondContact O-CB 3.12Å; S71-N75 PolarHBondContact O-N 2.81Å; S71-N75 PolarHBondContact O-ND2 3.03Å; S71-V161 WeakPolarHBondContact CB-O 3.46Å; S71-V161 PolarHBondContact OG-N 2.85Å
72	I	98.8	Very high	98	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-68	-53.7	177.4	-63.8	157.1	0	0	0	110	V53 A68 I69 S74 N75 T76 I80 F82 L155 V161 I165	V53-I72 HydrophobicContact CG1-CD1 4.21Å; A68-I72 WeakPolarHBondContact O-CD1 3.33Å; A68-I72 VanDerWaalsContact O-CG1 3.29Å; A68-I72 WeakPolarHBondContact O-CG1 3.46Å; A68-I72 PolarHBondContact O-N 3.4Å; I69-I72 PolarHBondContact O-N 2.96Å; I72-S74 VanDerWaalsContact C-N 3.27Å; I72-S74 PolarHBondContact O-N 3.24Å; I72-N75 PolarHBondContact O-N 3.23Å; I72-T76 WeakPolarHBondContact O-CG2 3.09Å; I72-I80 HydrophobicContact CG2-CD1 3.68Å; I72-F82 HydrophobicContact CB-CE1 4.1Å; I72-F82 HydrophobicContact CB-CZ 4.06Å; I72-F82 HydrophobicContact CD1-CE1 4.07Å; I72-F82 HydrophobicContact CG2-CE1 3.9Å; I72-F82 HydrophobicContact CG2-CZ 3.81Å; I72-L155 HydrophobicContact CD1-CD1 3.5Å; I72-L155 HydrophobicContact CG1-CD1 4.27Å; I72-V161 HydrophobicContact CD1-CG2 4.23Å; I72-V161 HydrophobicContact CG1-CB 3.73Å; I72-V161 HydrophobicContact CG1-CG1 4.32Å; I72-V161 HydrophobicContact CG1-CG2 3.51Å; I72-I165 HydrophobicContact CG2-CB 4.17Å; I72-I165 HydrophobicContact CG2-CG1 4.18Å; I72-I165 HydrophobicContact CG2-CG2 4.16Å
73	Y	98.4	Very high	98.1	Very high	97 Å²	97	23.4 Å²	23.4	38%	0.38	13%	0.127	S	C	.	.	H	α-helix	trans	-62.8	-31.9	-175	179.9	-102.8	0	0	0	113.2	I69 F82 I106	I69-Y73 WeakPolarHBondContact O-CB 3.2Å; I69-Y73 PolarHBondContact O-N 3.02Å; Y73-F82 HydrophobicContact CD2-CE2 4.4Å; Y73-I106 HydrophobicContact CD1-CG2 3.97Å; Y73-I106 HydrophobicContact CD2-CB 4.32Å; Y73-I106 HydrophobicContact CD2-CG2 3.65Å; Y73-I106 HydrophobicContact CE1-CG2 4.2Å; Y73-I106 HydrophobicContact CE2-CB 4.41Å; Y73-I106 HydrophobicContact CE2-CG2 3.88Å; Y73-I106 HydrophobicContact CG-CG2 3.68Å
74	S	98.3	Very high	98.2	Very high	62 Å²	62	23.4 Å²	23.4	43%	0.434	13%	0.127	S	C	.	.	H	α-helix	trans	-85.9	-13.9	-176.7	-52.8	0	0	0	0	114.2	N70 I72 W334	N70-S74 VanDerWaalsContact O-CB 3.27Å; N70-S74 WeakPolarHBondContact O-CB 3.42Å; N70-S74 PolarHBondContact O-N 3.14Å; N70-S74 VanDerWaalsContact O-N 3.09Å; N70-S74 PolarHBondContact O-OG 3.12Å; I72-S74 VanDerWaalsContact C-N 3.27Å; I72-S74 PolarHBondContact O-N 3.24Å; S74-W334 VanDerWaalsContact CB-CZ3 3.46Å
75	N	98.3	Very high	98.3	Very high	52 Å²	52	23.4 Å²	23.4	28%	0.278	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	19	-173.9	-70.7	-50.6	0	0	0	113.1	S71 I72 V161 D164 W334	S71-N75 WeakPolarHBondContact O-CB 3.12Å; S71-N75 PolarHBondContact O-N 2.81Å; S71-N75 PolarHBondContact O-ND2 3.03Å; I72-N75 PolarHBondContact O-N 3.23Å; N75-V161 PolarHBondContact ND2-O 3.04Å; N75-D164 WeakPolarHBondContact O-CA 3.27Å; N75-W334 WeakPolarHBondContact ND2-CH2 3.2Å; N75-W334 WeakPolarHBondContact ND2-CZ2 3.35Å
76	T	97.8	Very high	98.2	Very high	18 Å²	18	23.4 Å²	23.4	11%	0.11	13%	0.127	C	C	.	.			trans	-151.4	147.5	179.3	-175.2	0	0	0	0	110.7	I72 A78 I80 D164 I165	I72-T76 WeakPolarHBondContact O-CG2 3.09Å; T76-A78 VanDerWaalsContact OG1-CB 3.29Å; T76-A78 WeakPolarHBondContact OG1-CB 3.22Å; T76-A78 PolarHBondContact OG1-N 3.28Å; T76-I80 HydrophobicContact CG2-CD1 3.28Å; T76-I80 HydrophobicContact CG2-CG1 4.23Å; T76-D164 VanDerWaalsContact CB-OD1 3.29Å; T76-D164 WeakPolarHBondContact CB-OD1 3.44Å; T76-D164 PolarHBondContact OG1-OD1 3.03Å; T76-I165 HydrophobicContact CG2-CG2 3.93Å
77	D	96.4	Very high	98.2	Very high	173 Å²	173	25.3 Å²	25.3	93%	0.925	14%	0.137	S	C	*	.			trans	-95.7	-0.5	169.5	-65.5	-42.4	0	0	0	111.6
78	A	96.4	Very high	98.1	Very high	20 Å²	20	34.3 Å²	34.3	17%	0.165	17%	0.17	C	C	.	.	S	Bend	trans	-69.3	145.7	-179.4	0	0	0	0	0	112.1	I51 T76 I80 Q166	I51-A78 HydrophobicContact CD1-CB 3.77Å; T76-A78 VanDerWaalsContact OG1-CB 3.29Å; T76-A78 WeakPolarHBondContact OG1-CB 3.22Å; T76-A78 PolarHBondContact OG1-N 3.28Å; A78-I80 PolarHBondContact O-N 2.97Å; A78-I80 VanDerWaalsContact O-N 3.08Å; A78-Q166 HydrophobicContact CB-CB 4.21Å
79	N	96.9	Very high	98	Very high	46 Å²	46	40.6 Å²	40.6	25%	0.246	20%	0.204	C	C	.	.			trans	-70.3	104.2	173.5	-177.3	16.5	0	0	0	110.5	E48 E50 I51 N107	E48-N79 HydrophobicContact CB-CB 4.18Å; E50-N79 CarbonylContact C-O 3.54Å; E50-N79 WeakPolarHBondContact CA-O 3.43Å; I51-N79 PolarHBondContact N-O 3.35Å; N79-N107 PolarHBondContact OD1-ND2 3.3Å
80	I	98	Very high	97.8	Very high	9 Å²	9	41 Å²	41	5%	0.046	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	138.8	-178.8	-60.7	156.9	0	0	0	110.9	I51 V53 I72 T76 A78 F82 N107 I165	I51-I80 WeakPolarHBondContact O-CA 3.5Å; V53-I80 HydrophobicContact CB-CG2 4.25Å; V53-I80 HydrophobicContact CG2-CG2 3.83Å; I72-I80 HydrophobicContact CG2-CD1 3.68Å; T76-I80 HydrophobicContact CG2-CD1 3.28Å; T76-I80 HydrophobicContact CG2-CG1 4.23Å; A78-I80 PolarHBondContact O-N 2.97Å; A78-I80 VanDerWaalsContact O-N 3.08Å; I80-F82 HydrophobicContact CB-CE2 4.17Å; I80-F82 HydrophobicContact CB-CZ 4.39Å; I80-F82 HydrophobicContact CD1-CE2 4.47Å; I80-F82 HydrophobicContact CD1-CZ 4.14Å; I80-F82 HydrophobicContact CG2-CD1 4.14Å; I80-F82 HydrophobicContact CG2-CD2 3.86Å; I80-F82 HydrophobicContact CG2-CE1 3.89Å; I80-F82 HydrophobicContact CG2-CE2 3.59Å; I80-F82 HydrophobicContact CG2-CG 4.13Å; I80-F82 HydrophobicContact CG2-CZ 3.62Å; I80-N107 WeakPolarHBondContact O-CB 3.43Å; I80-I165 HydrophobicContact CD1-CG2 4.02Å; I80-I165 HydrophobicContact CG1-CG2 4.16Å
81	L	98.4	Very high	97.8	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.026	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	115.1	161.8	176.3	64.4	0	0	0	111.4	E50 I51 P52 V53 Y83 N107 K109	E50-L81 HydrophobicContact CG-CB 3.52Å; E50-L81 WeakPolarHBondContact OE1-CB 3.5Å; E50-L81 WeakPolarHBondContact OE2-CD2 3.38Å; I51-L81 PolarHBondContact O-N 2.85Å; P52-L81 WeakPolarHBondContact CA-O 3.43Å; V53-L81 PolarHBondContact N-O 2.74Å; L81-Y83 HydrophobicContact CD2-CD2 4.35Å; L81-Y83 HydrophobicContact CD2-CE2 3.48Å; L81-Y83 VanDerWaalsContact CD2-CE2 3.48Å; L81-Y83 HydrophobicContact CG-CD2 4.27Å; L81-Y83 HydrophobicContact CG-CE2 3.86Å; L81-N107 HydrophobicContact CD1-CB 4.21Å; L81-K109 HydrophobicContact CD1-CD 4.36Å; L81-K109 HydrophobicContact CD1-CG 4.21Å; L81-K109 HydrophobicContact CD2-CD 3.98Å; L81-K109 VanDerWaalsContact CD2-NZ 3.28Å
82	F	98.8	Very high	97.7	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	122.2	176	-66.4	-79.3	0	0	0	111.8	V53 I69 I72 Y73 I80 V84 I106 N107 F108 K109	V53-F82 HydrophobicContact CB-CD1 4.03Å; V53-F82 HydrophobicContact CB-CE1 4.22Å; V53-F82 HydrophobicContact CG1-CD1 4.2Å; V53-F82 HydrophobicContact CG1-CE1 4.24Å; V53-F82 CarbonylContact O-C 3.59Å; V53-F82 WeakPolarHBondContact O-CA 3.3Å; I69-F82 HydrophobicContact CB-CE1 4.4Å; I69-F82 HydrophobicContact CG1-CD1 4.04Å; I69-F82 HydrophobicContact CG1-CE1 4.2Å; I69-F82 HydrophobicContact CG2-CD1 4.33Å; I69-F82 HydrophobicContact CG2-CD2 4.3Å; I69-F82 HydrophobicContact CG2-CE1 4.13Å; I69-F82 HydrophobicContact CG2-CE2 4.09Å; I69-F82 HydrophobicContact CG2-CG 4.41Å; I69-F82 HydrophobicContact CG2-CZ 3.99Å; I72-F82 HydrophobicContact CB-CE1 4.1Å; I72-F82 HydrophobicContact CB-CZ 4.06Å; I72-F82 HydrophobicContact CD1-CE1 4.07Å; I72-F82 HydrophobicContact CG2-CE1 3.9Å; I72-F82 HydrophobicContact CG2-CZ 3.81Å; Y73-F82 HydrophobicContact CD2-CE2 4.4Å; I80-F82 HydrophobicContact CB-CE2 4.17Å; I80-F82 HydrophobicContact CB-CZ 4.39Å; I80-F82 HydrophobicContact CD1-CE2 4.47Å; I80-F82 HydrophobicContact CD1-CZ 4.14Å; I80-F82 HydrophobicContact CG2-CD1 4.14Å; I80-F82 HydrophobicContact CG2-CD2 3.86Å; I80-F82 HydrophobicContact CG2-CE1 3.89Å; I80-F82 HydrophobicContact CG2-CE2 3.59Å; I80-F82 HydrophobicContact CG2-CG 4.13Å; I80-F82 HydrophobicContact CG2-CZ 3.62Å; F82-V84 HydrophobicContact CB-CG2 4.19Å; F82-I106 HydrophobicContact CD2-CB 4.22Å; F82-I106 HydrophobicContact CD2-CD1 3.97Å; F82-I106 HydrophobicContact CD2-CG1 4.36Å; F82-I106 HydrophobicContact CE2-CB 4.32Å; F82-I106 HydrophobicContact CE2-CD1 4.47Å; F82-N107 PolarHBondContact N-O 3.15Å; F82-F108 HydrophobicContact CB-CB 4.04Å; F82-F108 CarbonylContact O-C 3.54Å; F82-F108 WeakPolarHBondContact O-CA 3.27Å; F82-K109 PolarHBondContact O-N 3.03Å
83	Y	98.8	Very high	97.6	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.016	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	97.1	165.7	-74.6	-87.1	0	0	0	109.6	P52 V53 V54 I55 L81 V85 K109 V111 I146 Q148 H149	P52-Y83 HydrophobicContact CB-CD2 4.11Å; P52-Y83 HydrophobicContact CB-CE2 3.88Å; V53-Y83 PolarHBondContact O-N 3.22Å; V54-Y83 WeakPolarHBondContact CA-O 3.37Å; I55-Y83 PolarHBondContact N-O 2.98Å; L81-Y83 HydrophobicContact CD2-CD2 4.35Å; L81-Y83 HydrophobicContact CD2-CE2 3.48Å; L81-Y83 VanDerWaalsContact CD2-CE2 3.48Å; L81-Y83 HydrophobicContact CG-CD2 4.27Å; L81-Y83 HydrophobicContact CG-CE2 3.86Å; Y83-V85 PolarHBondContact O-N 2.88Å; Y83-K109 CarbonylContact C-O 3.59Å; Y83-K109 WeakPolarHBondContact CA-O 3.47Å; Y83-K109 HydrophobicContact CD1-CB 3.92Å; Y83-K109 HydrophobicContact CD1-CD 4.39Å; Y83-K109 HydrophobicContact CE1-CB 4.02Å; Y83-K109 HydrophobicContact CE1-CD 3.63Å; Y83-K109 HydrophobicContact CE1-CG 4.44Å; Y83-K109 PolarHBondContact OH-NZ 3.12Å; Y83-V111 HydrophobicContact CD1-CG2 3.75Å; Y83-I146 HydrophobicContact CD1-CD1 3.22Å; Y83-I146 HydrophobicContact CD1-CG1 4.31Å; Y83-I146 HydrophobicContact CD2-CD1 4.31Å; Y83-I146 HydrophobicContact CD2-CG2 4.29Å; Y83-I146 HydrophobicContact CE1-CD1 3.66Å; Y83-I146 HydrophobicContact CE1-CG2 4.09Å; Y83-I146 HydrophobicContact CE2-CG2 3.88Å; Y83-I146 HydrophobicContact CG-CD1 3.55Å; Y83-I146 HydrophobicContact CG-CG1 4.29Å; Y83-Q148 PolarHBondContact OH-OE1 3.13Å; Y83-H149 AromaticContact CE2-CD2 3.72Å; Y83-H149 AromaticContact CE2-NE2 3.51Å; Y83-H149 AromaticContact CZ-CD2 3.9Å; Y83-H149 AromaticContact CZ-NE2 3.69Å; Y83-H149 PolarHBondContact OH-CD2 3.24Å; Y83-H149 PolarHBondContact OH-NE2 2.95Å
84	V	98.8	Very high	97.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	105.9	-178.4	-168.1	0	0	0	0	109.6	I55 A57 T65 I69 F82 I94 I98 K109 I110 V111	I55-V84 HydrophobicContact CG2-CG2 4.31Å; I55-V84 WeakPolarHBondContact O-CA 3.44Å; A57-V84 HydrophobicContact CB-CG1 3.77Å; T65-V84 HydrophobicContact CG2-CG1 4.21Å; I69-V84 HydrophobicContact CD1-CG2 3.84Å; F82-V84 HydrophobicContact CB-CG2 4.19Å; V84-I94 HydrophobicContact CB-CG2 4.06Å; V84-I94 HydrophobicContact CG1-CD1 4.34Å; V84-I94 HydrophobicContact CG1-CG2 3.54Å; V84-I98 HydrophobicContact CG2-CD1 4.22Å; V84-K109 PolarHBondContact N-O 3.14Å; V84-I110 WeakPolarHBondContact O-CA 3.45Å; V84-V111 PolarHBondContact O-N 2.93Å
85	V	98.8	Very high	97.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	123	-172.9	-169.6	0	0	0	0	110.5	V54 I55 C56 A57 Y83 V111 F113 L135 V138	V54-V85 HydrophobicContact CG1-CG2 3.72Å; I55-V85 PolarHBondContact O-N 2.81Å; C56-V85 CarbonylContact C-O 3.56Å; C56-V85 WeakPolarHBondContact CA-O 3.21Å; A57-V85 PolarHBondContact N-O 2.9Å; Y83-V85 PolarHBondContact O-N 2.88Å; V85-V111 WeakPolarHBondContact CA-O 3.34Å; V85-V111 HydrophobicContact CG2-CB 4.25Å; V85-F113 HydrophobicContact CG1-CB 3.75Å; V85-L135 HydrophobicContact CG1-CD2 4.33Å; V85-V138 HydrophobicContact CB-CG1 4.27Å; V85-V138 HydrophobicContact CG1-CG1 4.05Å; V85-V138 HydrophobicContact CG1-CG2 3.75Å; V85-V138 HydrophobicContact CG2-CG1 4.08Å
86	G	98.3	Very high	97.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	172.7	-179.9	0	0	0	0	0	112.9	V111 F113	G86-V111 PolarHBondContact N-O 3.36Å; G86-F113 PolarHBondContact O-N 2.91Å
87	L	97.8	Very high	97.6	Very high	40 Å²	40	50.4 Å²	50.4	21%	0.209	24%	0.242	C	C	.	.			trans	-84.6	157.5	166.4	-61.3	179.1	0	0	0	109.9	N89 T90 L91 F113 P115 P134 L135	L87-N89 WeakPolarHBondContact CB-OD1 3.49Å; L87-N89 PolarHBondContact O-N 3.47Å; L87-T90 PolarHBondContact N-OG1 3.47Å; L87-T90 PolarHBondContact O-N 3.1Å; L87-T90 PolarHBondContact O-OG1 3.03Å; L87-L91 WeakPolarHBondContact O-CD2 3.49Å; L87-L91 WeakPolarHBondContact O-CG 3.25Å; L87-L91 PolarHBondContact O-N 3.36Å; L87-F113 HydrophobicContact CD2-CD1 4.35Å; L87-F113 WeakPolarHBondContact CD2-O 3.29Å; L87-P115 HydrophobicContact CD2-CG 4.42Å; L87-P134 HydrophobicContact CD2-CB 4.33Å; L87-L135 HydrophobicContact CD2-CD2 4.16Å; L87-L135 HydrophobicContact CG-CD2 4.38Å; L87-L135 HydrophobicContact CG-CG 4.43Å
88	R	97.1	Very high	97.7	Very high	188 Å²	188	42.1 Å²	42.1	71%	0.709	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.2	-41.5	-177.7	-169.2	171	179.5	122	-3.6	114.6	T90 E112	R88-T90 VanDerWaalsContact C-N 3.27Å; R88-T90 PolarHBondContact O-N 3.23Å; R88-E112 HydrophobicContact CB-CG 4.42Å; R88-E112 WeakPolarHBondContact CB-OE1 3.45Å
89	N	95.2	Very high	97.8	Very high	133 Å²	133	45 Å²	45	71%	0.711	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-10.7	-179.5	64.8	-29.6	0	0	0	114.3	L87	L87-N89 WeakPolarHBondContact CB-OD1 3.49Å; L87-N89 PolarHBondContact O-N 3.47Å
90	T	95.9	Very high	97.8	Very high	7 Å²	7	48.9 Å²	48.9	4%	0.043	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-18	-178.6	59.3	0	0	0	0	113.9	A59 L87 R88 T92 R93 I94	A59-T90 HydrophobicContact CB-CG2 3.67Å; L87-T90 PolarHBondContact N-OG1 3.47Å; L87-T90 PolarHBondContact O-N 3.1Å; L87-T90 PolarHBondContact O-OG1 3.03Å; R88-T90 VanDerWaalsContact C-N 3.27Å; R88-T90 PolarHBondContact O-N 3.23Å; T90-T92 PolarHBondContact O-N 2.96Å; T90-R93 WeakPolarHBondContact O-CB 3.43Å; T90-R93 PolarHBondContact O-N 3.23Å; T90-I94 WeakPolarHBondContact O-CG1 3.38Å; T90-I94 PolarHBondContact O-N 2.96Å
91	L	97.8	Very high	97.7	Very high	37 Å²	37	49.3 Å²	49.3	19%	0.194	23%	0.228	C	C	.	.	H	α-helix	trans	-57.1	-45.4	-170.4	-51.4	-175.4	0	0	0	113	L87 R93 I94 R95 I110 E112	L87-L91 WeakPolarHBondContact O-CD2 3.49Å; L87-L91 WeakPolarHBondContact O-CG 3.25Å; L87-L91 PolarHBondContact O-N 3.36Å; L91-R93 VanDerWaalsContact C-N 3.28Å; L91-R93 PolarHBondContact O-N 3.11Å; L91-I94 PolarHBondContact O-N 2.91Å; L91-R95 PolarHBondContact O-N 3.1Å; L91-I110 HydrophobicContact CB-CG2 4.03Å; L91-I110 HydrophobicContact CD2-CG2 3.65Å; L91-I110 HydrophobicContact CG-CG2 4.26Å; L91-E112 HydrophobicContact CD1-CB 3.93Å; L91-E112 HydrophobicContact CD1-CG 4.22Å
92	T	97.4	Very high	97.6	Very high	94 Å²	94	53.9 Å²	53.9	58%	0.577	25%	0.248	S	C	*	.	H	α-helix	trans	-63.4	-35.5	178	-53.5	0	0	0	0	112.1	T90 K96	T90-T92 PolarHBondContact O-N 2.96Å; T92-K96 HydrophobicContact CG2-CD 4.27Å; T92-K96 WeakPolarHBondContact O-CB 3.36Å; T92-K96 WeakPolarHBondContact O-CG 2.9Å; T92-K96 PolarHBondContact O-N 3.36Å
93	R	96.9	Very high	97.6	Very high	55 Å²	55	54 Å²	54	21%	0.208	25%	0.248	C	C	.	.	H	α-helix	trans	-72.1	-41.3	179.1	-171.3	-179.5	171	-159.5	-7	111.1	A59 M62 T90 L91 R95 K96 W97 D338	A59-R93 PolarHBondContact O-NH1 2.75Å; M62-R93 HydrophobicContact CE-CB 4.15Å; M62-R93 HydrophobicContact CE-CG 4.2Å; M62-R93 HydrophobicContact SD-CB 4.16Å; M62-R93 HydrophobicContact SD-CG 3.73Å; T90-R93 WeakPolarHBondContact O-CB 3.43Å; T90-R93 PolarHBondContact O-N 3.23Å; L91-R93 VanDerWaalsContact C-N 3.28Å; L91-R93 PolarHBondContact O-N 3.11Å; R93-R95 VanDerWaalsContact C-N 3.34Å; R93-R95 PolarHBondContact O-N 3.15Å; R93-K96 PolarHBondContact O-N 2.87Å; R93-W97 WeakPolarHBondContact O-CB 3.26Å; R93-W97 PolarHBondContact O-N 3.06Å; R93-D338 IonicContact CZ-OD2 3.77Å; R93-D338 IonicContact NE-OD2 3.67Å; R93-D338 IonicContact NH2-OD2 3.05Å; R93-D338 PolarHBondContact NH2-OD2 3.24Å
94	I	98.1	Very high	97.5	Very high	0 Å²	0	61 Å²	61	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-54.2	-54.1	173.3	-65.2	166.4	0	0	0	109.5	A57 M62 M66 V84 T90 L91 K96 W97 I98 I110	A57-I94 HydrophobicContact CB-CD1 3.53Å; A57-I94 HydrophobicContact CB-CG1 3.72Å; M62-I94 HydrophobicContact CE-CD1 4.34Å; M62-I94 HydrophobicContact CE-CG1 3.42Å; M62-I94 VanDerWaalsContact CE-CG1 3.42Å; M62-I94 HydrophobicContact SD-CG1 3.94Å; M66-I94 HydrophobicContact CE-CG2 4.45Å; V84-I94 HydrophobicContact CB-CG2 4.06Å; V84-I94 HydrophobicContact CG1-CD1 4.34Å; V84-I94 HydrophobicContact CG1-CG2 3.54Å; T90-I94 WeakPolarHBondContact O-CG1 3.38Å; T90-I94 PolarHBondContact O-N 2.96Å; L91-I94 PolarHBondContact O-N 2.91Å; I94-K96 PolarHBondContact O-N 3.21Å; I94-W97 PolarHBondContact O-N 3.35Å; I94-I98 HydrophobicContact CG2-CD1 3.98Å; I94-I98 WeakPolarHBondContact O-CG1 3.35Å; I94-I98 PolarHBondContact O-N 2.98Å; I94-I98 VanDerWaalsContact O-N 3.13Å; I94-I110 HydrophobicContact CB-CD1 4.15Å; I94-I110 HydrophobicContact CG2-CD1 3.83Å; I94-I110 HydrophobicContact CG2-CG1 3.94Å
95	R	98.2	Very high	97.4	Very high	121 Å²	121	66.5 Å²	66.5	46%	0.457	30%	0.3	S	S	.	.	H	α-helix	trans	-54.8	-54	179.1	-177	174.5	-75	-89.2	2.5	112	L91 R93 W97 I98 E99 I110	L91-R95 PolarHBondContact O-N 3.1Å; R93-R95 VanDerWaalsContact C-N 3.34Å; R93-R95 PolarHBondContact O-N 3.15Å; R95-W97 VanDerWaalsContact C-N 3.3Å; R95-W97 PolarHBondContact O-N 2.82Å; R95-I98 PolarHBondContact O-N 3.33Å; R95-E99 VanDerWaalsContact CD-OE1 3.3Å; R95-E99 WeakPolarHBondContact CD-OE1 3.47Å; R95-E99 HydrophobicContact CG-CG 4.2Å; R95-E99 WeakPolarHBondContact CG-OE1 3.42Å; R95-E99 WeakPolarHBondContact CG-OE2 3.32Å; R95-E99 IonicContact CZ-OE1 4Å; R95-E99 IonicContact NH1-OE1 3.75Å; R95-E99 PolarHBondContact NH1-OE1 2.87Å; R95-E99 WeakPolarHBondContact O-CB 3.4Å; R95-E99 WeakPolarHBondContact O-CG 3.39Å; R95-E99 PolarHBondContact O-N 3.43Å; R95-I110 HydrophobicContact CB-CD1 3.53Å; R95-I110 HydrophobicContact CG-CD1 4.35Å
96	K	97.7	Very high	97.4	Very high	123 Å²	123	66.9 Å²	66.9	54%	0.535	30%	0.302	S	S	.	.	H	α-helix	trans	-59.9	-40	-178.5	-76.3	-178.7	176.6	-171.7	0	112.3	T92 R93 I94 H100	T92-K96 HydrophobicContact CG2-CD 4.27Å; T92-K96 WeakPolarHBondContact O-CB 3.36Å; T92-K96 WeakPolarHBondContact O-CG 2.9Å; T92-K96 PolarHBondContact O-N 3.36Å; R93-K96 PolarHBondContact O-N 2.87Å; I94-K96 PolarHBondContact O-N 3.21Å; K96-H100 VanDerWaalsContact O-CB 3.29Å; K96-H100 WeakPolarHBondContact O-CB 3.36Å; K96-H100 PolarHBondContact O-N 2.96Å; K96-H100 PolarHBondContact O-ND1 3.35Å
97	W	98.1	Very high	97.4	Very high	3 Å²	3	71 Å²	71	1%	0.011	32%	0.324	C	S	.	.	H	α-helix	trans	-64.4	-46.1	179.6	-158.5	-35.5	0	0	0	111.3	M62 G63 M66 R93 I94 R95 S101 V336 P337 D338 P339 F343	M62-W97 HydrophobicContact CB-CE3 4.16Å; M62-W97 HydrophobicContact CB-CH2 4.39Å; M62-W97 HydrophobicContact CB-CZ3 3.66Å; M62-W97 HydrophobicContact CG-CD2 4.43Å; M62-W97 HydrophobicContact CG-CE3 3.57Å; M62-W97 HydrophobicContact CG-CZ3 3.62Å; M62-W97 HydrophobicContact SD-CE3 3.52Å; M62-W97 VanDerWaalsContact SD-CE3 3.52Å; M62-W97 HydrophobicContact SD-CZ3 3.95Å; G63-W97 VanDerWaalsContact N-CH2 3.3Å; M66-W97 HydrophobicContact CE-CB 3.94Å; M66-W97 HydrophobicContact CE-CD2 4.35Å; M66-W97 HydrophobicContact CE-CG 4.09Å; M66-W97 HydrophobicContact CG-CD2 3.89Å; M66-W97 HydrophobicContact CG-CG 3.94Å; M66-W97 HydrophobicContact CG-CZ2 4.21Å; M66-W97 HydrophobicContact SD-CG 4.34Å; R93-W97 WeakPolarHBondContact O-CB 3.26Å; R93-W97 PolarHBondContact O-N 3.06Å; I94-W97 PolarHBondContact O-N 3.35Å; R95-W97 VanDerWaalsContact C-N 3.3Å; R95-W97 PolarHBondContact O-N 2.82Å; W97-S101 WeakPolarHBondContact O-CB 3.31Å; W97-S101 PolarHBondContact O-N 2.65Å; W97-S101 PolarHBondContact O-OG 3.4Å; W97-V336 WeakPolarHBondContact CZ2-O 3.38Å; W97-V336 PolarHBondContact NE1-O 2.69Å; W97-P337 PolarHBondContact NE1-O 2.88Å; W97-P337 VanDerWaalsContact NE1-O 3.09Å; W97-D338 HydrophobicContact CD2-CB 4.42Å; W97-D338 VanDerWaalsContact CE2-CA 3.46Å; W97-D338 HydrophobicContact CE3-CB 4.41Å; W97-D338 HydrophobicContact CH2-CB 3.52Å; W97-D338 VanDerWaalsContact CZ2-CA 3.43Å; W97-D338 HydrophobicContact CZ2-CB 3.43Å; W97-D338 VanDerWaalsContact CZ2-CB 3.43Å; W97-D338 HydrophobicContact CZ3-CB 3.99Å; W97-D338 VanDerWaalsContact CZ3-CG 3.49Å; W97-D338 WeakPolarHBondContact CZ3-OD2 3.36Å; W97-P339 VanDerWaalsContact CD1-CD 3.47Å; W97-P339 HydrophobicContact CG-CG 4.47Å; W97-F343 HydrophobicContact CH2-CB 3.53Å; W97-F343 HydrophobicContact CH2-CD1 4.44Å; W97-F343 HydrophobicContact CH2-CG 4.05Å; W97-F343 HydrophobicContact CZ2-CB 4.45Å; W97-F343 HydrophobicContact CZ3-CB 4.21Å
98	I	98.4	Very high	97.4	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-62.7	-54.1	177.5	-64	169.3	0	0	0	110.1	M66 V84 I94 R95 H100 S101 L103 R104 I106 F108	M66-I98 HydrophobicContact CE-CG1 4.07Å; M66-I98 HydrophobicContact SD-CG1 3.86Å; V84-I98 HydrophobicContact CG2-CD1 4.22Å; I94-I98 HydrophobicContact CG2-CD1 3.98Å; I94-I98 WeakPolarHBondContact O-CG1 3.35Å; I94-I98 PolarHBondContact O-N 2.98Å; I94-I98 VanDerWaalsContact O-N 3.13Å; R95-I98 PolarHBondContact O-N 3.33Å; I98-H100 VanDerWaalsContact C-N 3.28Å; I98-H100 PolarHBondContact O-N 3.34Å; I98-S101 PolarHBondContact O-N 3.1Å; I98-S101 PolarHBondContact O-OG 3.2Å; I98-L103 HydrophobicContact CG2-CB 4.17Å; I98-L103 WeakPolarHBondContact CG2-O 3.42Å; I98-L103 CarbonylContact O-C 3.22Å; I98-R104 WeakPolarHBondContact O-CA 3.33Å; I98-R104 PolarHBondContact O-N 2.96Å; I98-I106 HydrophobicContact CD1-CD1 4.44Å; I98-I106 HydrophobicContact CG2-CD1 3.89Å; I98-I106 HydrophobicContact CG2-CG1 3.97Å; I98-F108 HydrophobicContact CB-CE1 4.39Å; I98-F108 HydrophobicContact CB-CZ 4.31Å; I98-F108 HydrophobicContact CD1-CD2 3.79Å; I98-F108 HydrophobicContact CD1-CE2 3.98Å; I98-F108 HydrophobicContact CD1-CG 4.09Å; I98-F108 HydrophobicContact CD1-CZ 4.41Å; I98-F108 HydrophobicContact CG2-CD1 3.82Å; I98-F108 HydrophobicContact CG2-CE1 3.55Å; I98-F108 HydrophobicContact CG2-CG 4.44Å; I98-F108 HydrophobicContact CG2-CZ 3.96Å
99	E	97.7	Very high	97.5	Very high	79 Å²	79	66.6 Å²	66.6	37%	0.369	31%	0.309	S	S	.	.	H	α-helix	trans	-63.6	-27.3	-175.9	-70.5	171.8	179.9	0	0	113.7	R95	R95-E99 VanDerWaalsContact CD-OE1 3.3Å; R95-E99 WeakPolarHBondContact CD-OE1 3.47Å; R95-E99 HydrophobicContact CG-CG 4.2Å; R95-E99 WeakPolarHBondContact CG-OE1 3.42Å; R95-E99 WeakPolarHBondContact CG-OE2 3.32Å; R95-E99 IonicContact CZ-OE1 4Å; R95-E99 IonicContact NH1-OE1 3.75Å; R95-E99 PolarHBondContact NH1-OE1 2.87Å; R95-E99 WeakPolarHBondContact O-CB 3.4Å; R95-E99 WeakPolarHBondContact O-CG 3.39Å; R95-E99 PolarHBondContact O-N 3.43Å
100	H	97.1	Very high	97.6	Very high	128 Å²	128	62.2 Å²	62.2	59%	0.593	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	26	-177.4	-55.6	78.6	0	0	0	113	K96 I98 P339	K96-H100 VanDerWaalsContact O-CB 3.29Å; K96-H100 WeakPolarHBondContact O-CB 3.36Å; K96-H100 PolarHBondContact O-N 2.96Å; K96-H100 PolarHBondContact O-ND1 3.35Å; I98-H100 VanDerWaalsContact C-N 3.28Å; I98-H100 PolarHBondContact O-N 3.34Å; H100-P339 HydrophobicContact CB-CB 4.39Å; H100-P339 HydrophobicContact CB-CG 4.17Å
101	S	97	Very high	97.7	Very high	18 Å²	18	62.9 Å²	62.9	13%	0.126	29%	0.289	C	S	.	.	S	Bend	trans	-132.3	-172.1	174.4	71.9	0	0	0	0	111.4	W97 I98 L103 R104	W97-S101 WeakPolarHBondContact O-CB 3.31Å; W97-S101 PolarHBondContact O-N 2.65Å; W97-S101 PolarHBondContact O-OG 3.4Å; I98-S101 PolarHBondContact O-N 3.1Å; I98-S101 PolarHBondContact O-OG 3.2Å; S101-L103 PolarHBondContact O-N 2.66Å; S101-L103 PolarHBondContact OG-N 3.49Å; S101-R104 PolarHBondContact O-N 2.98Å
102	K	96.1	Very high	97.8	Very high	102 Å²	102	64.9 Å²	64.9	44%	0.443	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-13	172.6	63.5	176.2	177.7	174.6	0	113.6	N70 R104 V336	N70-K102 VanDerWaalsContact CG-CE 3.4Å; N70-K102 VanDerWaalsContact ND2-CE 3.31Å; N70-K102 WeakPolarHBondContact ND2-CE 3.37Å; N70-K102 PolarHBondContact ND2-NZ 3.47Å; N70-K102 WeakPolarHBondContact OD1-CE 3.48Å; N70-K102 PolarHBondContact OD1-NZ 2.89Å; K102-R104 VanDerWaalsContact C-N 3.29Å; K102-R104 PolarHBondContact O-N 3.26Å; K102-V336 HydrophobicContact CG-CG1 4.39Å
103	L	98.1	Very high	97.8	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.005	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	3.6	178.3	-62.2	-178.5	0	0	0	114	M66 I69 N70 I98 S101 E105 I106 V336	M66-L103 HydrophobicContact CB-CD1 4.06Å; M66-L103 HydrophobicContact CG-CD1 4.44Å; M66-L103 HydrophobicContact SD-CD1 3.86Å; I69-L103 HydrophobicContact CB-CD1 4.39Å; I69-L103 HydrophobicContact CG2-CD1 3.99Å; I69-L103 HydrophobicContact CG2-CD2 4.12Å; N70-L103 HydrophobicContact CB-CD2 3.9Å; I98-L103 HydrophobicContact CG2-CB 4.17Å; I98-L103 WeakPolarHBondContact CG2-O 3.42Å; I98-L103 CarbonylContact O-C 3.22Å; S101-L103 PolarHBondContact O-N 2.66Å; S101-L103 PolarHBondContact OG-N 3.49Å; L103-E105 PolarHBondContact O-N 3.45Å; L103-I106 HydrophobicContact CB-CD1 4.29Å; L103-I106 HydrophobicContact CB-CG2 4.38Å; L103-I106 HydrophobicContact CD2-CG2 4.24Å; L103-I106 WeakPolarHBondContact O-CG1 3.48Å; L103-I106 WeakPolarHBondContact O-CG2 3.24Å; L103-I106 PolarHBondContact O-N 2.73Å; L103-I106 VanDerWaalsContact O-N 3.14Å; L103-V336 HydrophobicContact CD1-CG1 4.43Å; L103-V336 HydrophobicContact CD1-CG2 4.1Å; L103-V336 HydrophobicContact CG-CG1 4.43Å; L103-V336 HydrophobicContact CG-CG2 4.24Å
104	R	97.3	Very high	97.8	Very high	151 Å²	151	61.9 Å²	61.9	57%	0.57	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-21.3	-174	70	180	-173.6	-85	-8.6	115.2	I98 S101 K102	I98-R104 WeakPolarHBondContact O-CA 3.33Å; I98-R104 PolarHBondContact O-N 2.96Å; S101-R104 PolarHBondContact O-N 2.98Å; K102-R104 VanDerWaalsContact C-N 3.29Å; K102-R104 PolarHBondContact O-N 3.26Å
105	E	96.6	Very high	97.7	Very high	117 Å²	117	64.5 Å²	64.5	55%	0.547	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-1.8	-176.8	-51.5	-60.5	155.8	0	0	113.1	L103	L103-E105 PolarHBondContact O-N 3.45Å
106	I	98	Very high	97.6	Very high	8 Å²	8	64.3 Å²	64.3	4%	0.041	30%	0.304	C	S	.	.	S	Bend	trans	-72.9	150.3	179.6	76.3	-177.7	0	0	0	111.1	I69 Y73 F82 I98 L103 F108	I69-I106 HydrophobicContact CG2-CD1 3.61Å; Y73-I106 HydrophobicContact CD1-CG2 3.97Å; Y73-I106 HydrophobicContact CD2-CB 4.32Å; Y73-I106 HydrophobicContact CD2-CG2 3.65Å; Y73-I106 HydrophobicContact CE1-CG2 4.2Å; Y73-I106 HydrophobicContact CE2-CB 4.41Å; Y73-I106 HydrophobicContact CE2-CG2 3.88Å; Y73-I106 HydrophobicContact CG-CG2 3.68Å; F82-I106 HydrophobicContact CD2-CB 4.22Å; F82-I106 HydrophobicContact CD2-CD1 3.97Å; F82-I106 HydrophobicContact CD2-CG1 4.36Å; F82-I106 HydrophobicContact CE2-CB 4.32Å; F82-I106 HydrophobicContact CE2-CD1 4.47Å; I98-I106 HydrophobicContact CD1-CD1 4.44Å; I98-I106 HydrophobicContact CG2-CD1 3.89Å; I98-I106 HydrophobicContact CG2-CG1 3.97Å; L103-I106 HydrophobicContact CB-CD1 4.29Å; L103-I106 HydrophobicContact CB-CG2 4.38Å; L103-I106 HydrophobicContact CD2-CG2 4.24Å; L103-I106 WeakPolarHBondContact O-CG1 3.48Å; L103-I106 WeakPolarHBondContact O-CG2 3.24Å; L103-I106 PolarHBondContact O-N 2.73Å; L103-I106 VanDerWaalsContact O-N 3.14Å; I106-F108 HydrophobicContact CD1-CB 4.32Å; I106-F108 HydrophobicContact CD1-CD1 4.47Å; I106-F108 HydrophobicContact CG1-CB 4.24Å; I106-F108 HydrophobicContact CG1-CD1 3.89Å; I106-F108 HydrophobicContact CG1-CG 4.42Å
107	N	98.1	Very high	97.5	Very high	87 Å²	87	61.2 Å²	61.2	47%	0.465	30%	0.295	S	S	.	.			trans	-80.9	121.3	166.6	-64.1	-41.2	0	0	0	109.8	N79 I80 L81 F82	N79-N107 PolarHBondContact OD1-ND2 3.3Å; I80-N107 WeakPolarHBondContact O-CB 3.43Å; L81-N107 HydrophobicContact CD1-CB 4.21Å; F82-N107 PolarHBondContact N-O 3.15Å
108	F	98.6	Very high	97.4	Very high	45 Å²	45	61.6 Å²	61.6	20%	0.197	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	153.3	179.7	74.1	-78.2	0	0	0	114.4	F82 I98 I106 I110	F82-F108 HydrophobicContact CB-CB 4.04Å; F82-F108 CarbonylContact O-C 3.54Å; F82-F108 WeakPolarHBondContact O-CA 3.27Å; I98-F108 HydrophobicContact CB-CE1 4.39Å; I98-F108 HydrophobicContact CB-CZ 4.31Å; I98-F108 HydrophobicContact CD1-CD2 3.79Å; I98-F108 HydrophobicContact CD1-CE2 3.98Å; I98-F108 HydrophobicContact CD1-CG 4.09Å; I98-F108 HydrophobicContact CD1-CZ 4.41Å; I98-F108 HydrophobicContact CG2-CD1 3.82Å; I98-F108 HydrophobicContact CG2-CE1 3.55Å; I98-F108 HydrophobicContact CG2-CG 4.44Å; I98-F108 HydrophobicContact CG2-CZ 3.96Å; I106-F108 HydrophobicContact CD1-CB 4.32Å; I106-F108 HydrophobicContact CD1-CD1 4.47Å; I106-F108 HydrophobicContact CG1-CB 4.24Å; I106-F108 HydrophobicContact CG1-CD1 3.89Å; I106-F108 HydrophobicContact CG1-CG 4.42Å; F108-I110 HydrophobicContact CD2-CD1 4.44Å; F108-I110 HydrophobicContact CD2-CG1 3.9Å; F108-I110 HydrophobicContact CE2-CD1 3.86Å; F108-I110 HydrophobicContact CE2-CG1 3.81Å
109	K	98.6	Very high	97.2	Very high	90 Å²	90	69.4 Å²	69.4	39%	0.391	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	131	167.8	-72.1	170.3	-168.4	159.9	0	108.8	L81 F82 Y83 V84	L81-K109 HydrophobicContact CD1-CD 4.36Å; L81-K109 HydrophobicContact CD1-CG 4.21Å; L81-K109 HydrophobicContact CD2-CD 3.98Å; L81-K109 VanDerWaalsContact CD2-NZ 3.28Å; F82-K109 PolarHBondContact O-N 3.03Å; Y83-K109 CarbonylContact C-O 3.59Å; Y83-K109 WeakPolarHBondContact CA-O 3.47Å; Y83-K109 HydrophobicContact CD1-CB 3.92Å; Y83-K109 HydrophobicContact CD1-CD 4.39Å; Y83-K109 HydrophobicContact CE1-CB 4.02Å; Y83-K109 HydrophobicContact CE1-CD 3.63Å; Y83-K109 HydrophobicContact CE1-CG 4.44Å; Y83-K109 PolarHBondContact OH-NZ 3.12Å; V84-K109 PolarHBondContact N-O 3.14Å
110	I	98.6	Very high	97	Very high	40 Å²	40	68.3 Å²	68.3	21%	0.205	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	128.2	172.2	-64.1	175.1	0	0	0	108.7	V84 L91 I94 R95 F108	V84-I110 WeakPolarHBondContact O-CA 3.45Å; L91-I110 HydrophobicContact CB-CG2 4.03Å; L91-I110 HydrophobicContact CD2-CG2 3.65Å; L91-I110 HydrophobicContact CG-CG2 4.26Å; I94-I110 HydrophobicContact CB-CD1 4.15Å; I94-I110 HydrophobicContact CG2-CD1 3.83Å; I94-I110 HydrophobicContact CG2-CG1 3.94Å; R95-I110 HydrophobicContact CB-CD1 3.53Å; R95-I110 HydrophobicContact CG-CD1 4.35Å; F108-I110 HydrophobicContact CD2-CD1 4.44Å; F108-I110 HydrophobicContact CD2-CG1 3.9Å; F108-I110 HydrophobicContact CE2-CD1 3.86Å; F108-I110 HydrophobicContact CE2-CG1 3.81Å
111	V	98.4	Very high	96.9	Very high	22 Å²	22	63.6 Å²	63.6	13%	0.133	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	127.3	-179.7	-176.4	0	0	0	0	109.9	Y83 V84 V85 G86 L145 I146	Y83-V111 HydrophobicContact CD1-CG2 3.75Å; V84-V111 PolarHBondContact O-N 2.93Å; V85-V111 WeakPolarHBondContact CA-O 3.34Å; V85-V111 HydrophobicContact CG2-CB 4.25Å; G86-V111 PolarHBondContact N-O 3.36Å; V111-L145 HydrophobicContact CG1-CB 4.27Å; V111-L145 HydrophobicContact CG1-CD2 4.04Å; V111-I146 HydrophobicContact CG2-CD1 4.1Å
112	E	98.1	Very high	96.6	Very high	79 Å²	79	64.5 Å²	64.5	37%	0.369	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	123.3	171.8	-173	-179.9	165.2	0	0	110.1	R88 L91	R88-E112 HydrophobicContact CB-CG 4.42Å; R88-E112 WeakPolarHBondContact CB-OE1 3.45Å; L91-E112 HydrophobicContact CD1-CB 3.93Å; L91-E112 HydrophobicContact CD1-CG 4.22Å
113	F	98.3	Very high	96.1	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.018	31%	0.312	C	S	.	.			trans	-93.7	116.1	165	-176.2	-110.6	0	0	0	110	V85 G86 L87 P115 V117 L118 P134 L135 V138 Y141 L145	V85-F113 HydrophobicContact CG1-CB 3.75Å; G86-F113 PolarHBondContact O-N 2.91Å; L87-F113 HydrophobicContact CD2-CD1 4.35Å; L87-F113 WeakPolarHBondContact CD2-O 3.29Å; F113-P115 VanDerWaalsContact O-CD 3.27Å; F113-P115 WeakPolarHBondContact O-CD 3.06Å; F113-V117 HydrophobicContact CE2-CG2 3.94Å; F113-V117 HydrophobicContact CZ-CG2 3.71Å; F113-L118 HydrophobicContact CE1-CD1 3.85Å; F113-L118 HydrophobicContact CE1-CG 4.37Å; F113-L118 HydrophobicContact CZ-CD1 4.13Å; F113-L118 HydrophobicContact CZ-CD2 4.3Å; F113-L118 HydrophobicContact CZ-CG 4.23Å; F113-P134 HydrophobicContact CD1-CB 4.36Å; F113-P134 HydrophobicContact CE1-CB 4.11Å; F113-P134 VanDerWaalsContact CE1-O 3.3Å; F113-P134 WeakPolarHBondContact CE1-O 3.36Å; F113-L135 HydrophobicContact CB-CD2 3.91Å; F113-L135 HydrophobicContact CD1-CD2 4.08Å; F113-L135 HydrophobicContact CG-CD2 4.31Å; F113-V138 HydrophobicContact CB-CG2 4.11Å; F113-V138 HydrophobicContact CD1-CG2 4.07Å; F113-V138 HydrophobicContact CD2-CG2 3.82Å; F113-V138 HydrophobicContact CE1-CG2 4.46Å; F113-V138 HydrophobicContact CE2-CG2 4.23Å; F113-V138 HydrophobicContact CG-CG2 3.72Å; F113-Y141 AromaticContact CE2-CD2 3.68Å; F113-Y141 HydrophobicContact CE2-CD2 3.68Å; F113-Y141 HydrophobicContact CE2-CE2 4.26Å; F113-Y141 HydrophobicContact CE2-CG 4.22Å; F113-Y141 AromaticContact CZ-CD2 3.97Å; F113-Y141 HydrophobicContact CZ-CD2 3.97Å; F113-Y141 HydrophobicContact CZ-CE2 4.13Å; F113-L145 HydrophobicContact CD2-CD1 4.11Å; F113-L145 HydrophobicContact CD2-CD2 4.32Å
114	N	97.4	Very high	95.2	Very high	82 Å²	82	67.6 Å²	67.6	44%	0.439	35%	0.346	S	S	.	.			trans	-85.2	108.3	176.3	-177	-8.6	0	0	0	110.4	M116 V117	N114-M116 PolarHBondContact O-N 3.45Å; N114-M116 VanDerWaalsContact OD1-CB 3.22Å; N114-M116 WeakPolarHBondContact OD1-CB 3.19Å; N114-M116 VanDerWaalsContact OD1-CG 3.26Å; N114-M116 WeakPolarHBondContact OD1-CG 3.27Å; N114-M116 PolarHBondContact OD1-N 3.37Å; N114-V117 WeakPolarHBondContact O-CG2 3.46Å; N114-V117 PolarHBondContact O-N 3.31Å
115	P	95.8	Very high	94.3	Very high	55 Å²	55	64.9 Å²	64.9	36%	0.357	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-66.8	-11.2	-175.9	29.6	-36.6	0	0	0	113.5	L87 F113 V117 L118 P134	L87-P115 HydrophobicContact CD2-CG 4.42Å; F113-P115 VanDerWaalsContact O-CD 3.27Å; F113-P115 WeakPolarHBondContact O-CD 3.06Å; P115-V117 PolarHBondContact O-N 3.06Å; P115-V117 VanDerWaalsContact O-N 3.15Å; P115-L118 VanDerWaalsContact O-CB 3.32Å; P115-L118 WeakPolarHBondContact O-CB 3.4Å; P115-L118 PolarHBondContact O-N 2.73Å; P115-P134 HydrophobicContact CB-CB 3.95Å; P115-P134 HydrophobicContact CB-CG 4.12Å
116	M	95.9	Very high	93.3	Very high	117 Å²	117	60.7 Å²	60.7	58%	0.576	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-59.2	-25	175.8	-69.3	-58.1	-58.4	0	0	113.2	N114 L118 K119	N114-M116 PolarHBondContact O-N 3.45Å; N114-M116 VanDerWaalsContact OD1-CB 3.22Å; N114-M116 WeakPolarHBondContact OD1-CB 3.19Å; N114-M116 VanDerWaalsContact OD1-CG 3.26Å; N114-M116 WeakPolarHBondContact OD1-CG 3.27Å; N114-M116 PolarHBondContact OD1-N 3.37Å; M116-L118 PolarHBondContact O-N 2.71Å; M116-L118 VanDerWaalsContact O-N 3.14Å; M116-K119 HydrophobicContact CE-CD 3.78Å; M116-K119 VanDerWaalsContact O-CB 3.31Å; M116-K119 WeakPolarHBondContact O-CB 3.29Å; M116-K119 PolarHBondContact O-N 3.16Å; M116-K119 VanDerWaalsContact O-N 3.12Å
117	V	96.3	Very high	92.2	Very high	57 Å²	57	63.7 Å²	63.7	35%	0.345	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-61.1	-21.1	173.9	-56	0	0	0	0	112.3	F113 N114 P115 K121 Y141	F113-V117 HydrophobicContact CE2-CG2 3.94Å; F113-V117 HydrophobicContact CZ-CG2 3.71Å; N114-V117 WeakPolarHBondContact O-CG2 3.46Å; N114-V117 PolarHBondContact O-N 3.31Å; P115-V117 PolarHBondContact O-N 3.06Å; P115-V117 VanDerWaalsContact O-N 3.15Å; V117-K121 WeakPolarHBondContact O-CD 3.45Å; V117-K121 VanDerWaalsContact O-CE 3.32Å; V117-K121 WeakPolarHBondContact O-CE 3.4Å; V117-K121 PolarHBondContact O-NZ 3.01Å; V117-Y141 HydrophobicContact CB-CE1 4.45Å; V117-Y141 HydrophobicContact CG2-CE1 4.22Å; V117-Y141 HydrophobicContact CG2-CE2 4.05Å
118	L	96	Very high	91	Very high	12 Å²	12	62.5 Å²	62.5	6%	0.063	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-90.5	-6.1	-179	-54	173.8	0	0	0	113.3	F113 P115 M116 G120 K121 I122 P134 F137 Y141 M251	F113-L118 HydrophobicContact CE1-CD1 3.85Å; F113-L118 HydrophobicContact CE1-CG 4.37Å; F113-L118 HydrophobicContact CZ-CD1 4.13Å; F113-L118 HydrophobicContact CZ-CD2 4.3Å; F113-L118 HydrophobicContact CZ-CG 4.23Å; P115-L118 VanDerWaalsContact O-CB 3.32Å; P115-L118 WeakPolarHBondContact O-CB 3.4Å; P115-L118 PolarHBondContact O-N 2.73Å; M116-L118 PolarHBondContact O-N 2.71Å; M116-L118 VanDerWaalsContact O-N 3.14Å; L118-G120 PolarHBondContact O-N 3.19Å; L118-K121 WeakPolarHBondContact O-CB 3.33Å; L118-K121 PolarHBondContact O-N 3.02Å; L118-I122 HydrophobicContact CB-CD1 3.7Å; L118-I122 HydrophobicContact CB-CG1 4.22Å; L118-I122 HydrophobicContact CD1-CD1 3.73Å; L118-I122 HydrophobicContact CD2-CD1 4.22Å; L118-I122 HydrophobicContact CG-CD1 4.08Å; L118-P134 HydrophobicContact CD1-CB 3.89Å; L118-F137 HydrophobicContact CD1-CB 4.21Å; L118-F137 HydrophobicContact CD1-CD2 3.94Å; L118-F137 HydrophobicContact CD1-CG 4.26Å; L118-F137 HydrophobicContact CD2-CB 3.67Å; L118-F137 HydrophobicContact CD2-CD1 4.43Å; L118-F137 HydrophobicContact CD2-CD2 4.37Å; L118-F137 HydrophobicContact CD2-CG 3.9Å; L118-Y141 HydrophobicContact CD2-CE2 3.82Å; L118-M251 HydrophobicContact CD2-CE 4.05Å
119	K	94.6	Very high	90	Very high	163 Å²	163	64.2 Å²	64.2	71%	0.709	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	124.1	-177.8	-176.4	176.6	177.9	-179.5	0	110.7	M116 K121	M116-K119 HydrophobicContact CE-CD 3.78Å; M116-K119 VanDerWaalsContact O-CB 3.31Å; M116-K119 WeakPolarHBondContact O-CB 3.29Å; M116-K119 PolarHBondContact O-N 3.16Å; M116-K119 VanDerWaalsContact O-N 3.12Å; K119-K121 PolarHBondContact O-N 2.8Å
120	G	93.4	Very high	88.9	Confident	56 Å²	56	65.1 Å²	65.1	58%	0.577	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	7.3	-178.7	0	0	0	0	0	114.9	L118	L118-G120 PolarHBondContact O-N 3.19Å
121	K	94.4	Very high	88	Confident	30 Å²	30	65.3 Å²	65.3	13%	0.13	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-11.2	179	-54.3	-177.7	-174.5	152.7	0	112.7	V117 L118 K119 E248 M251 Q252	V117-K121 WeakPolarHBondContact O-CD 3.45Å; V117-K121 VanDerWaalsContact O-CE 3.32Å; V117-K121 WeakPolarHBondContact O-CE 3.4Å; V117-K121 PolarHBondContact O-NZ 3.01Å; L118-K121 WeakPolarHBondContact O-CB 3.33Å; L118-K121 PolarHBondContact O-N 3.02Å; K119-K121 PolarHBondContact O-N 2.8Å; K121-E248 HydrophobicContact CD-CB 4.36Å; K121-E248 HydrophobicContact CD-CG 4.14Å; K121-E248 IonicContact NZ-OE1 3.95Å; K121-E248 PolarHBondContact NZ-OE1 2.72Å; K121-E248 IonicContact NZ-OE2 2.97Å; K121-M251 HydrophobicContact CB-CB 4.01Å; K121-M251 HydrophobicContact CB-CE 3.77Å; K121-M251 HydrophobicContact CB-SD 4.38Å; K121-M251 CarbonylContact O-C 3.52Å; K121-M251 WeakPolarHBondContact O-CB 3.46Å; K121-Q252 HydrophobicContact CB-CG 4.49Å; K121-Q252 HydrophobicContact CG-CG 3.92Å
122	I	90.2	Very high	87.3	Confident	36 Å²	36	65.9 Å²	65.9	19%	0.185	36%	0.361	C	S	.	.	S	Bend	trans	-114.9	128.3	179.7	-62.3	179.1	0	0	0	108.9	L118 L132 F137 M251	L118-I122 HydrophobicContact CB-CD1 3.7Å; L118-I122 HydrophobicContact CB-CG1 4.22Å; L118-I122 HydrophobicContact CD1-CD1 3.73Å; L118-I122 HydrophobicContact CD2-CD1 4.22Å; L118-I122 HydrophobicContact CG-CD1 4.08Å; I122-L132 HydrophobicContact CG2-CD2 3.66Å; I122-F137 HydrophobicContact CD1-CD2 3.71Å; I122-F137 HydrophobicContact CD1-CE1 4.17Å; I122-F137 HydrophobicContact CD1-CE2 3.28Å; I122-F137 HydrophobicContact CD1-CG 4.32Å; I122-F137 HydrophobicContact CD1-CZ 3.53Å; I122-F137 HydrophobicContact CG1-CE1 4.28Å; I122-F137 HydrophobicContact CG1-CE2 4.17Å; I122-F137 HydrophobicContact CG1-CZ 3.9Å; I122-M251 HydrophobicContact CD1-CE 4.41Å; I122-M251 HydrophobicContact CG1-CE 3.75Å
123	R	84.9	Confident	86.9	Confident	58 Å²	58	67.1 Å²	67.1	22%	0.219	37%	0.367	C	S	.	.			trans	-76.9	120.4	176.3	-155.5	-165.2	172.5	-121.9	-7.1	108.7	D125 V255 N258	R123-D125 VanDerWaalsContact CD-OD1 3.29Å; R123-D125 WeakPolarHBondContact CD-OD1 3.33Å; R123-D125 WeakPolarHBondContact CG-OD1 3.4Å; R123-D125 IonicContact CZ-OD1 2.95Å; R123-D125 IonicContact CZ-OD2 3.87Å; R123-D125 IonicContact NE-OD1 3.56Å; R123-D125 PolarHBondContact NE-OD1 2.83Å; R123-D125 IonicContact NE-OD2 3.67Å; R123-D125 PolarHBondContact NH1-O 3.49Å; R123-D125 IonicContact NH1-OD1 3.5Å; R123-D125 PolarHBondContact NH1-OD1 2.95Å; R123-D125 VanDerWaalsContact NH1-OD1 3.12Å; R123-D125 IonicContact NH1-OD2 2.65Å; R123-D125 PolarHBondContact NH1-OD2 3.42Å; R123-D125 VanDerWaalsContact NH2-CG 3.3Å; R123-D125 IonicContact NH2-OD1 2.85Å; R123-D125 PolarHBondContact NH2-OD1 3.06Å; R123-D125 IonicContact NH2-OD2 2.52Å; R123-D125 PolarHBondContact NH2-OD2 3.35Å; R123-V255 HydrophobicContact CB-CG2 4.38Å; R123-N258 VanDerWaalsContact CZ-CG 3.43Å; R123-N258 PolarHBondContact NH1-OD1 3.38Å
124	P	79.6	Confident	86.7	Confident	111 Å²	111	68.4 Å²	68.4	72%	0.721	38%	0.376	S	S	*	.	S	Bend	trans	-76.4	-24.8	-171.1	28.8	-34.5	0	0	0	113.9	S126	P124-S126 VanDerWaalsContact C-N 3.26Å; P124-S126 PolarHBondContact O-N 2.94Å
125	D	77.9	Confident	86.6	Confident	94 Å²	94	64.9 Å²	64.9	50%	0.503	36%	0.357	S	S	.	.			trans	-92.5	41	-177.6	63.9	-21.2	0	0	0	112.5	R123	R123-D125 VanDerWaalsContact CD-OD1 3.29Å; R123-D125 WeakPolarHBondContact CD-OD1 3.33Å; R123-D125 WeakPolarHBondContact CG-OD1 3.4Å; R123-D125 IonicContact CZ-OD1 2.95Å; R123-D125 IonicContact CZ-OD2 3.87Å; R123-D125 IonicContact NE-OD1 3.56Å; R123-D125 PolarHBondContact NE-OD1 2.83Å; R123-D125 IonicContact NE-OD2 3.67Å; R123-D125 PolarHBondContact NH1-O 3.49Å; R123-D125 IonicContact NH1-OD1 3.5Å; R123-D125 PolarHBondContact NH1-OD1 2.95Å; R123-D125 VanDerWaalsContact NH1-OD1 3.12Å; R123-D125 IonicContact NH1-OD2 2.65Å; R123-D125 PolarHBondContact NH1-OD2 3.42Å; R123-D125 VanDerWaalsContact NH2-CG 3.3Å; R123-D125 IonicContact NH2-OD1 2.85Å; R123-D125 PolarHBondContact NH2-OD1 3.06Å; R123-D125 IonicContact NH2-OD2 2.52Å; R123-D125 PolarHBondContact NH2-OD2 3.35Å
126	S	76.8	Confident	86.5	Confident	28 Å²	28	63.9 Å²	63.9	20%	0.196	35%	0.349	C	S	.	.			trans	-67.9	138	170.7	178.7	0	0	0	0	110.5	P124 R128	P124-S126 VanDerWaalsContact C-N 3.26Å; P124-S126 PolarHBondContact O-N 2.94Å; S126-R128 PolarHBondContact O-N 3Å; S126-R128 PolarHBondContact OG-N 2.77Å; S126-R128 VanDerWaalsContact OG-N 3.14Å; S126-R128 PolarHBondContact OG-O 2.84Å
127	S	73.8	Confident	86.5	Confident	72 Å²	72	58.4 Å²	58.4	50%	0.503	32%	0.321	S	S	.	.	S	Bend	trans	-66.2	-13.5	171.2	59.8	0	0	0	0	113.5	P129 S262	S127-P129 WeakPolarHBondContact O-CD 3.49Å; S127-S262 WeakPolarHBondContact OG-CB 3.44Å; S127-S262 PolarHBondContact OG-OG 3.12Å
128	R	73.3	Confident	86.6	Confident	62 Å²	62	55.7 Å²	55.7	23%	0.234	31%	0.305	C	S	.	.			trans	-122.7	72.5	179.1	-63.7	-137.9	-62.3	-145.5	8.8	110	S126 E130 L131 L264 G265 G266	S126-R128 PolarHBondContact O-N 3Å; S126-R128 PolarHBondContact OG-N 2.77Å; S126-R128 VanDerWaalsContact OG-N 3.14Å; S126-R128 PolarHBondContact OG-O 2.84Å; R128-E130 VanDerWaalsContact CA-OE2 3.29Å; R128-E130 WeakPolarHBondContact CA-OE2 3.43Å; R128-E130 VanDerWaalsContact CB-OE1 3.3Å; R128-E130 WeakPolarHBondContact CB-OE1 3.19Å; R128-E130 WeakPolarHBondContact CD-OE1 3.31Å; R128-E130 PolarHBondContact O-N 2.85Å; R128-L131 HydrophobicContact CB-CD1 3.92Å; R128-L131 HydrophobicContact CB-CG 4.03Å; R128-L131 WeakPolarHBondContact O-CB 3.43Å; R128-L131 PolarHBondContact O-N 3.19Å; R128-L131 VanDerWaalsContact O-N 3.09Å; R128-L264 PolarHBondContact NH1-O 3.4Å; R128-L264 VanDerWaalsContact NH1-O 3.15Å; R128-G265 PolarHBondContact NH2-O 2.82Å; R128-G266 PolarHBondContact NE-O 2.87Å; R128-G266 VanDerWaalsContact NE-O 3.15Å; R128-G266 PolarHBondContact NH2-O 2.97Å
129	P	78.8	Confident	86.6	Confident	81 Å²	81	55.7 Å²	55.7	53%	0.526	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-61.4	-27.1	-176.2	25.5	-35.1	0	0	0	113.3	S127 L131 L132	S127-P129 WeakPolarHBondContact O-CD 3.49Å; P129-L131 PolarHBondContact O-N 2.67Å; P129-L132 WeakPolarHBondContact O-CB 3.44Å; P129-L132 PolarHBondContact O-N 3.32Å
130	E	75.5	Confident	86.8	Confident	108 Å²	108	48 Å²	48	51%	0.505	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-59.9	-25	174.5	71.5	-75	178.9	0	0	113	R128 L132 Q133	R128-E130 VanDerWaalsContact CA-OE2 3.29Å; R128-E130 WeakPolarHBondContact CA-OE2 3.43Å; R128-E130 VanDerWaalsContact CB-OE1 3.3Å; R128-E130 WeakPolarHBondContact CB-OE1 3.19Å; R128-E130 WeakPolarHBondContact CD-OE1 3.31Å; R128-E130 PolarHBondContact O-N 2.85Å; E130-L132 VanDerWaalsContact C-N 3.32Å; E130-Q133 WeakPolarHBondContact O-CG 3.45Å
131	L	78.8	Confident	87.1	Confident	44 Å²	44	45.5 Å²	45.5	23%	0.23	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-84.1	-7	177.4	-59.5	-173.6	0	0	0	113.5	R128 P129 Q133 N136 G266 V268	R128-L131 HydrophobicContact CB-CD1 3.92Å; R128-L131 HydrophobicContact CB-CG 4.03Å; R128-L131 WeakPolarHBondContact O-CB 3.43Å; R128-L131 PolarHBondContact O-N 3.19Å; R128-L131 VanDerWaalsContact O-N 3.09Å; P129-L131 PolarHBondContact O-N 2.67Å; L131-Q133 VanDerWaalsContact C-N 3.26Å; L131-Q133 PolarHBondContact O-N 2.94Å; L131-N136 PolarHBondContact O-ND2 3.26Å; L131-G266 WeakPolarHBondContact CD1-O 3.49Å; L131-V268 HydrophobicContact CB-CG2 4.18Å
132	L	84.6	Confident	87.3	Confident	34 Å²	34	44.1 Å²	44.1	18%	0.178	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-84.7	2.5	179.9	-54.8	-176.7	0	0	0	113.4	I122 P129 E130 V268	I122-L132 HydrophobicContact CG2-CD2 3.66Å; P129-L132 WeakPolarHBondContact O-CB 3.44Å; P129-L132 PolarHBondContact O-N 3.32Å; E130-L132 VanDerWaalsContact C-N 3.32Å; L132-V268 HydrophobicContact CD2-CB 4.32Å; L132-V268 HydrophobicContact CD2-CG1 4Å; L132-V268 HydrophobicContact CD2-CG2 3.84Å
133	Q	89.2	Confident	87.6	Confident	106 Å²	106	42.5 Å²	42.5	50%	0.495	23%	0.23	S	C	.	.			trans	-55.2	127.2	175.9	-68.4	-61.4	-39.1	0	0	110.3	E130 L131 L135 N136	E130-Q133 WeakPolarHBondContact O-CG 3.45Å; L131-Q133 VanDerWaalsContact C-N 3.26Å; L131-Q133 PolarHBondContact O-N 2.94Å; Q133-L135 PolarHBondContact O-N 2.78Å; Q133-L135 VanDerWaalsContact O-N 3.1Å; Q133-N136 VanDerWaalsContact O-CB 3.3Å; Q133-N136 WeakPolarHBondContact O-CB 3.38Å; Q133-N136 PolarHBondContact O-N 3.05Å
134	P	93.8	Very high	88.1	Confident	30 Å²	30	44.7 Å²	44.7	20%	0.195	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-55.2	-35.5	-172.7	-30.4	35.7	0	0	0	114.5	L87 F113 P115 L118 N136 F137	L87-P134 HydrophobicContact CD2-CB 4.33Å; F113-P134 HydrophobicContact CD1-CB 4.36Å; F113-P134 HydrophobicContact CE1-CB 4.11Å; F113-P134 VanDerWaalsContact CE1-O 3.3Å; F113-P134 WeakPolarHBondContact CE1-O 3.36Å; P115-P134 HydrophobicContact CB-CB 3.95Å; P115-P134 HydrophobicContact CB-CG 4.12Å; L118-P134 HydrophobicContact CD1-CB 3.89Å; P134-N136 PolarHBondContact O-N 3.43Å; P134-F137 PolarHBondContact O-N 3.35Å; P134-F137 VanDerWaalsContact O-N 3.07Å
135	L	95.6	Very high	89	Confident	9 Å²	9	41 Å²	41	5%	0.047	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-66.9	-19.8	-178.3	-64.1	-179.8	0	0	0	113.4	C56 A58 V85 L87 F113 Q133 F137 V138	C56-L135 HydrophobicContact CB-CB 4.06Å; C56-L135 HydrophobicContact CB-CD1 4.29Å; A58-L135 HydrophobicContact CB-CD1 3.97Å; V85-L135 HydrophobicContact CG1-CD2 4.33Å; L87-L135 HydrophobicContact CD2-CD2 4.16Å; L87-L135 HydrophobicContact CG-CD2 4.38Å; L87-L135 HydrophobicContact CG-CG 4.43Å; F113-L135 HydrophobicContact CB-CD2 3.91Å; F113-L135 HydrophobicContact CD1-CD2 4.08Å; F113-L135 HydrophobicContact CG-CD2 4.31Å; Q133-L135 PolarHBondContact O-N 2.78Å; Q133-L135 VanDerWaalsContact O-N 3.1Å; L135-F137 PolarHBondContact O-N 2.77Å; L135-F137 VanDerWaalsContact O-N 3.11Å; L135-V138 HydrophobicContact CB-CG2 4.44Å; L135-V138 HydrophobicContact CD2-CG2 3.86Å; L135-V138 WeakPolarHBondContact O-CB 3.34Å; L135-V138 WeakPolarHBondContact O-CG2 3.43Å; L135-V138 PolarHBondContact O-N 3.18Å; L135-V138 VanDerWaalsContact O-N 3.13Å
136	N	93.2	Very high	89.9	Confident	34 Å²	34	36.6 Å²	36.6	18%	0.182	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-62.7	-18.4	172.2	-67.2	-18.1	0	0	0	112.8	L131 Q133 P134 R139	L131-N136 PolarHBondContact O-ND2 3.26Å; Q133-N136 VanDerWaalsContact O-CB 3.3Å; Q133-N136 WeakPolarHBondContact O-CB 3.38Å; Q133-N136 PolarHBondContact O-N 3.05Å; P134-N136 PolarHBondContact O-N 3.43Å; N136-R139 PolarHBondContact O-NH1 3.14Å
137	F	96.5	Very high	90.6	Very high	1 Å²	1	40.6 Å²	40.6	0%	0.004	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-96.7	-4.9	-179.7	-61.4	-86.8	0	0	0	113	L118 I122 P134 L135 R139 F140 Y141 M251 V268 A269	L118-F137 HydrophobicContact CD1-CB 4.21Å; L118-F137 HydrophobicContact CD1-CD2 3.94Å; L118-F137 HydrophobicContact CD1-CG 4.26Å; L118-F137 HydrophobicContact CD2-CB 3.67Å; L118-F137 HydrophobicContact CD2-CD1 4.43Å; L118-F137 HydrophobicContact CD2-CD2 4.37Å; L118-F137 HydrophobicContact CD2-CG 3.9Å; I122-F137 HydrophobicContact CD1-CD2 3.71Å; I122-F137 HydrophobicContact CD1-CE1 4.17Å; I122-F137 HydrophobicContact CD1-CE2 3.28Å; I122-F137 HydrophobicContact CD1-CG 4.32Å; I122-F137 HydrophobicContact CD1-CZ 3.53Å; I122-F137 HydrophobicContact CG1-CE1 4.28Å; I122-F137 HydrophobicContact CG1-CE2 4.17Å; I122-F137 HydrophobicContact CG1-CZ 3.9Å; P134-F137 PolarHBondContact O-N 3.35Å; P134-F137 VanDerWaalsContact O-N 3.07Å; L135-F137 PolarHBondContact O-N 2.77Å; L135-F137 VanDerWaalsContact O-N 3.11Å; F137-R139 PolarHBondContact O-N 2.93Å; F137-F140 HydrophobicContact CD1-CD2 4.28Å; F137-F140 AromaticContact CD1-CE2 3.83Å; F137-F140 HydrophobicContact CD1-CE2 3.83Å; F137-F140 HydrophobicContact CD1-CZ 4.11Å; F137-F140 HydrophobicContact CE1-CE2 4.4Å; F137-F140 WeakPolarHBondContact O-CB 3.36Å; F137-F140 PolarHBondContact O-N 3Å; F137-Y141 HydrophobicContact CB-CE2 4.33Å; F137-Y141 WeakPolarHBondContact O-CD2 3.36Å; F137-M251 HydrophobicContact CD1-CE 3.51Å; F137-M251 HydrophobicContact CD1-SD 4.25Å; F137-M251 HydrophobicContact CE1-CE 3.58Å; F137-M251 HydrophobicContact CG-CE 4.36Å; F137-M251 HydrophobicContact CZ-CE 4.46Å; F137-V268 HydrophobicContact CE1-CG1 4.2Å; F137-V268 HydrophobicContact CZ-CB 4.38Å; F137-V268 HydrophobicContact CZ-CG1 3.75Å; F137-A269 HydrophobicContact CD1-CB 4.29Å; F137-A269 HydrophobicContact CE1-CB 4.13Å
138	V	97.8	Very high	91.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-53.7	-38.6	178.8	163.9	0	0	0	0	111.6	V85 F113 L135 F140 Y141 L142 L145 Y154	V85-V138 HydrophobicContact CB-CG1 4.27Å; V85-V138 HydrophobicContact CG1-CG1 4.05Å; V85-V138 HydrophobicContact CG1-CG2 3.75Å; V85-V138 HydrophobicContact CG2-CG1 4.08Å; F113-V138 HydrophobicContact CB-CG2 4.11Å; F113-V138 HydrophobicContact CD1-CG2 4.07Å; F113-V138 HydrophobicContact CD2-CG2 3.82Å; F113-V138 HydrophobicContact CE1-CG2 4.46Å; F113-V138 HydrophobicContact CE2-CG2 4.23Å; F113-V138 HydrophobicContact CG-CG2 3.72Å; L135-V138 HydrophobicContact CB-CG2 4.44Å; L135-V138 HydrophobicContact CD2-CG2 3.86Å; L135-V138 WeakPolarHBondContact O-CB 3.34Å; L135-V138 WeakPolarHBondContact O-CG2 3.43Å; L135-V138 PolarHBondContact O-N 3.18Å; L135-V138 VanDerWaalsContact O-N 3.13Å; V138-F140 PolarHBondContact O-N 3.4Å; V138-Y141 PolarHBondContact O-N 2.95Å; V138-L142 HydrophobicContact CG1-CD2 4.5Å; V138-L142 PolarHBondContact O-N 3.13Å; V138-L145 HydrophobicContact CG1-CD1 3.81Å; V138-Y154 HydrophobicContact CG1-CE2 4.2Å
139	R	97.1	Very high	92.7	Very high	13 Å²	13	41.3 Å²	41.3	5%	0.049	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-57.4	-17.5	177.1	65.3	-170.9	73.8	119.6	-14.3	114.8	N136 F137 Y154 D156 I231 W238 M273	N136-R139 PolarHBondContact O-NH1 3.14Å; F137-R139 PolarHBondContact O-N 2.93Å; R139-Y154 HydrophobicContact CB-CD1 4.16Å; R139-Y154 HydrophobicContact CB-CD2 4.37Å; R139-Y154 HydrophobicContact CB-CE1 3.9Å; R139-Y154 HydrophobicContact CB-CE2 4.1Å; R139-Y154 HydrophobicContact CB-CG 4.38Å; R139-Y154 PolarHBondContact NE-OH 3.1Å; R139-Y154 PolarHBondContact NH2-OH 2.88Å; R139-D156 IonicContact CZ-OD1 3.22Å; R139-D156 IonicContact NE-OD1 2.66Å; R139-D156 IonicContact NH2-OD1 2.65Å; R139-D156 PolarHBondContact NH2-OD1 3.18Å; R139-D156 IonicContact NH2-OD2 2.82Å; R139-I231 HydrophobicContact CB-CD1 3.94Å; R139-W238 WeakPolarHBondContact O-CH2 3.49Å; R139-M273 HydrophobicContact CG-SD 3.91Å
140	F	98.4	Very high	93.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-83.6	-23.9	175.7	-63.4	7.9	0	0	0	112.3	F137 V138 T244 L247 M251 A269 P272 M273	F137-F140 HydrophobicContact CD1-CD2 4.28Å; F137-F140 AromaticContact CD1-CE2 3.83Å; F137-F140 HydrophobicContact CD1-CE2 3.83Å; F137-F140 HydrophobicContact CD1-CZ 4.11Å; F137-F140 HydrophobicContact CE1-CE2 4.4Å; F137-F140 WeakPolarHBondContact O-CB 3.36Å; F137-F140 PolarHBondContact O-N 3Å; V138-F140 PolarHBondContact O-N 3.4Å; F140-T244 WeakPolarHBondContact O-CB 3.32Å; F140-T244 VanDerWaalsContact O-CG2 3.26Å; F140-T244 WeakPolarHBondContact O-CG2 3.49Å; F140-T244 PolarHBondContact O-OG1 2.99Å; F140-L247 HydrophobicContact CB-CB 4.5Å; F140-L247 HydrophobicContact CB-CD1 3.78Å; F140-L247 HydrophobicContact CD1-CD1 3.87Å; F140-L247 HydrophobicContact CD2-CB 3.84Å; F140-L247 HydrophobicContact CD2-CD1 4.24Å; F140-L247 HydrophobicContact CE2-CB 4.26Å; F140-L247 HydrophobicContact CG-CB 4.17Å; F140-L247 HydrophobicContact CG-CD1 3.7Å; F140-L247 HydrophobicContact CG-CG 4.44Å; F140-M251 HydrophobicContact CD2-CG 4.44Å; F140-M251 HydrophobicContact CD2-SD 3.57Å; F140-M251 VanDerWaalsContact CD2-SD 3.57Å; F140-M251 HydrophobicContact CE2-CE 4.45Å; F140-M251 HydrophobicContact CE2-CG 3.86Å; F140-M251 HydrophobicContact CE2-SD 3.46Å; F140-M251 WeakPolarHBondContact CE2-SD 3.18Å; F140-A269 HydrophobicContact CE1-CB 4.17Å; F140-A269 WeakPolarHBondContact CE1-O 3.4Å; F140-A269 HydrophobicContact CZ-CB 4Å; F140-A269 WeakPolarHBondContact CZ-O 3.13Å; F140-P272 HydrophobicContact CE1-CG 4.46Å; F140-P272 HydrophobicContact CE2-CB 4.44Å; F140-P272 HydrophobicContact CE2-CG 3.69Å; F140-P272 HydrophobicContact CZ-CB 4.42Å; F140-P272 HydrophobicContact CZ-CG 3.41Å; F140-P272 VanDerWaalsContact CZ-CG 3.41Å; F140-M273 HydrophobicContact CD1-CG 4.09Å; F140-M273 HydrophobicContact CD1-SD 4.07Å; F140-M273 HydrophobicContact CE1-CG 3.5Å; F140-M273 HydrophobicContact CE1-SD 3.62Å; F140-M273 HydrophobicContact CZ-CG 4.21Å
141	Y	98.4	Very high	94.6	Very high	5 Å²	5	41.2 Å²	41.2	2%	0.02	20%	0.201	C	C	.	.	S	Bend	trans	-110.2	12.3	-169.9	-58.7	-79.4	0	0	0	112.3	F113 V117 L118 F137 V138 P143 L144 L145 T244 E248	F113-Y141 AromaticContact CE2-CD2 3.68Å; F113-Y141 HydrophobicContact CE2-CD2 3.68Å; F113-Y141 HydrophobicContact CE2-CE2 4.26Å; F113-Y141 HydrophobicContact CE2-CG 4.22Å; F113-Y141 AromaticContact CZ-CD2 3.97Å; F113-Y141 HydrophobicContact CZ-CD2 3.97Å; F113-Y141 HydrophobicContact CZ-CE2 4.13Å; V117-Y141 HydrophobicContact CB-CE1 4.45Å; V117-Y141 HydrophobicContact CG2-CE1 4.22Å; V117-Y141 HydrophobicContact CG2-CE2 4.05Å; L118-Y141 HydrophobicContact CD2-CE2 3.82Å; F137-Y141 HydrophobicContact CB-CE2 4.33Å; F137-Y141 WeakPolarHBondContact O-CD2 3.36Å; V138-Y141 PolarHBondContact O-N 2.95Å; Y141-P143 VanDerWaalsContact C-CD 3.47Å; Y141-P143 VanDerWaalsContact C-N 3.28Å; Y141-P143 VanDerWaalsContact O-N 3.12Å; Y141-L144 HydrophobicContact CD1-CD1 3.94Å; Y141-L144 WeakPolarHBondContact O-CA 3.46Å; Y141-L144 PolarHBondContact O-N 3.03Å; Y141-L145 WeakPolarHBondContact O-CG 3.34Å; Y141-L145 PolarHBondContact O-N 3.19Å; Y141-T244 HydrophobicContact CD1-CG2 3.66Å; Y141-T244 HydrophobicContact CE1-CG2 3.9Å; Y141-E248 HydrophobicContact CE1-CG 4.36Å; Y141-E248 WeakPolarHBondContact CE1-OE1 3.35Å; Y141-E248 PolarHBondContact OH-OE1 3.15Å
142	L	98.4	Very high	95.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-44.9	-48.2	-179	-61	173	0	0	0	112	V54 V138 L144 L145 I146 V152 Y154 A233 M235	V54-L142 HydrophobicContact CB-CD2 4.24Å; V54-L142 HydrophobicContact CG1-CD2 3.91Å; V54-L142 HydrophobicContact CG2-CD2 4.29Å; V138-L142 HydrophobicContact CG1-CD2 4.5Å; V138-L142 PolarHBondContact O-N 3.13Å; L142-L144 VanDerWaalsContact C-N 3.27Å; L142-L144 PolarHBondContact O-N 3.19Å; L142-L145 PolarHBondContact O-N 3.39Å; L142-I146 PolarHBondContact O-N 3.04Å; L142-V152 HydrophobicContact CD1-CG2 4.39Å; L142-Y154 HydrophobicContact CD2-CD2 3.82Å; L142-Y154 HydrophobicContact CD2-CG 4.4Å; L142-A233 HydrophobicContact CD1-CB 4.19Å; L142-M235 HydrophobicContact CB-CE 3.46Å; L142-M235 VanDerWaalsContact CB-CE 3.46Å; L142-M235 HydrophobicContact CB-SD 4.21Å; L142-M235 WeakPolarHBondContact O-CE 3.33Å
143	P	97.4	Very high	96.2	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.019	18%	0.182	C	C	.	.	H	α-helix	trans	-79	-8.4	-176.2	-9.1	24.7	0	0	0	114.9	Y141 H147 M235 W238 K239	Y141-P143 VanDerWaalsContact C-CD 3.47Å; Y141-P143 VanDerWaalsContact C-N 3.28Å; Y141-P143 VanDerWaalsContact O-N 3.12Å; P143-H147 PolarHBondContact O-CD2 2.95Å; P143-M235 HydrophobicContact CB-CE 3.61Å; P143-M235 HydrophobicContact CG-CE 3.47Å; P143-M235 VanDerWaalsContact CG-CE 3.47Å; P143-M235 HydrophobicContact CG-SD 4.46Å; P143-W238 HydrophobicContact CG-CB 4.01Å; P143-W238 HydrophobicContact CG-CD2 4.32Å; P143-W238 HydrophobicContact CG-CG 3.67Å; P143-K239 HydrophobicContact CB-CD 3.96Å; P143-K239 HydrophobicContact CB-CG 3.53Å; P143-K239 HydrophobicContact CG-CG 4.32Å
144	L	96.4	Very high	96.7	Very high	103 Å²	103	32.6 Å²	32.6	54%	0.539	16%	0.159	S	C	.	.	H	α-helix	trans	-94.1	-16.2	172.6	-55.6	-171	0	0	0	112	Y141 L142 H147 T244	Y141-L144 HydrophobicContact CD1-CD1 3.94Å; Y141-L144 WeakPolarHBondContact O-CA 3.46Å; Y141-L144 PolarHBondContact O-N 3.03Å; L142-L144 VanDerWaalsContact C-N 3.27Å; L142-L144 PolarHBondContact O-N 3.19Å; L144-H147 PolarHBondContact O-CE1 2.85Å; L144-H147 PolarHBondContact O-NE2 2.95Å; L144-T244 HydrophobicContact CD1-CG2 4.14Å
145	L	97.1	Very high	96.9	Very high	35 Å²	35	31.2 Å²	31.2	18%	0.183	15%	0.149	C	C	.	.	H	α-helix	trans	-97.5	-41.5	178	-65	172.8	0	0	0	110.3	V111 F113 V138 Y141 L142	V111-L145 HydrophobicContact CG1-CB 4.27Å; V111-L145 HydrophobicContact CG1-CD2 4.04Å; F113-L145 HydrophobicContact CD2-CD1 4.11Å; F113-L145 HydrophobicContact CD2-CD2 4.32Å; V138-L145 HydrophobicContact CG1-CD1 3.81Å; Y141-L145 WeakPolarHBondContact O-CG 3.34Å; Y141-L145 PolarHBondContact O-N 3.19Å; L142-L145 PolarHBondContact O-N 3.39Å
146	I	96.8	Very high	97	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	15%	0.154	C	C	.	.			trans	-117.2	111.4	-174.4	-45.1	-47	0	0	0	108.9	V54 Y83 V111 L142 V152	V54-I146 HydrophobicContact CG2-CG1 4Å; Y83-I146 HydrophobicContact CD1-CD1 3.22Å; Y83-I146 HydrophobicContact CD1-CG1 4.31Å; Y83-I146 HydrophobicContact CD2-CD1 4.31Å; Y83-I146 HydrophobicContact CD2-CG2 4.29Å; Y83-I146 HydrophobicContact CE1-CD1 3.66Å; Y83-I146 HydrophobicContact CE1-CG2 4.09Å; Y83-I146 HydrophobicContact CE2-CG2 3.88Å; Y83-I146 HydrophobicContact CG-CD1 3.55Å; Y83-I146 HydrophobicContact CG-CG1 4.29Å; V111-I146 HydrophobicContact CG2-CD1 4.1Å; L142-I146 PolarHBondContact O-N 3.04Å; I146-V152 HydrophobicContact CG2-CG1 4.28Å
147	H	92.9	Very high	97.2	Very high	112 Å²	112	31.1 Å²	31.1	52%	0.519	15%	0.149	S	C	.	.			trans	-107.4	-19.7	-171.1	-59.9	97	0	0	0	113.6	P143 L144	P143-H147 PolarHBondContact O-CD2 2.95Å; L144-H147 PolarHBondContact O-CE1 2.85Å; L144-H147 PolarHBondContact O-NE2 2.95Å
148	Q	93.4	Very high	97.2	Very high	126 Å²	126	31.3 Å²	31.3	59%	0.589	15%	0.15	S	C	*	.	S	Bend	trans	-85.8	-11.9	-168.8	-62.6	78.9	17.2	0	0	113.9	Y83	Y83-Q148 PolarHBondContact OH-OE1 3.13Å
149	H	96.3	Very high	97.2	Very high	23 Å²	23	31.3 Å²	31.3	11%	0.106	15%	0.15	C	C	.	.			trans	-120.3	140.9	-172.2	-57.8	-84.2	0	0	0	111.7	E50 P52 Y83 V152 M235	E50-H149 IonicContact OE2-CE1 3.94Å; E50-H149 PolarHBondContact OE2-CE1 3.03Å; E50-H149 VanDerWaalsContact OE2-CE1 3.22Å; E50-H149 IonicContact OE2-NE2 3.75Å; P52-H149 HydrophobicContact CB-CB 4.34Å; P52-H149 HydrophobicContact CG-CB 3.75Å; Y83-H149 AromaticContact CE2-CD2 3.72Å; Y83-H149 AromaticContact CE2-NE2 3.51Å; Y83-H149 AromaticContact CZ-CD2 3.9Å; Y83-H149 AromaticContact CZ-NE2 3.69Å; Y83-H149 PolarHBondContact OH-CD2 3.24Å; Y83-H149 PolarHBondContact OH-NE2 2.95Å; H149-V152 HydrophobicContact CB-CG1 3.94Å; H149-M235 VanDerWaalsContact O-CB 3.3Å; H149-M235 WeakPolarHBondContact O-CB 3.29Å; H149-M235 WeakPolarHBondContact O-CG 3.39Å
150	E	96.3	Very high	97.3	Very high	143 Å²	143	30.7 Å²	30.7	67%	0.668	15%	0.148	S	C	*	.	S	Bend	trans	-81	-27.5	174.7	-59.7	-164.3	152.2	0	0	112.5	N234 M235	E150-N234 CarbonylContact O-C 3.59Å; E150-N234 WeakPolarHBondContact O-CA 3.39Å; E150-N234 PolarHBondContact O-OD1 2.86Å; E150-M235 WeakPolarHBondContact O-CB 3.42Å; E150-M235 PolarHBondContact O-N 2.98Å
151	K	97.8	Very high	97.3	Very high	44 Å²	44	30.7 Å²	30.7	19%	0.191	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	137.3	179.4	-174	178.3	63.2	175.1	0	109.8	P52 Y169 V232 A233	P52-K151 WeakPolarHBondContact CG-O 3.32Å; K151-Y169 HydrophobicContact CB-CE2 4.16Å; K151-Y169 HydrophobicContact CD-CE2 4.26Å; K151-Y169 VanDerWaalsContact CE-CE2 3.42Å; K151-Y169 VanDerWaalsContact CE-O 3.24Å; K151-Y169 WeakPolarHBondContact CE-O 3.29Å; K151-Y169 HydrophobicContact CG-CE2 3.98Å; K151-Y169 PolarHBondContact NZ-O 3.42Å; K151-Y169 PolarHBondContact O-OH 3.04Å; K151-V232 HydrophobicContact CD-CG1 4.09Å; K151-V232 HydrophobicContact CG-CG1 4.17Å; K151-A233 CarbonylContact C-O 3.43Å; K151-A233 WeakPolarHBondContact CA-O 3.43Å
152	V	98.7	Very high	97.3	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	155.7	176.5	-48.3	0	0	0	0	112.2	P52 V54 L142 I146 H149 A233 M235	P52-V152 HydrophobicContact CB-CB 4.41Å; P52-V152 HydrophobicContact CB-CG1 4.03Å; P52-V152 HydrophobicContact CG-CB 4.01Å; P52-V152 HydrophobicContact CG-CG1 3.66Å; V54-V152 HydrophobicContact CG2-CB 4.33Å; V54-V152 HydrophobicContact CG2-CG2 4.25Å; L142-V152 HydrophobicContact CD1-CG2 4.39Å; I146-V152 HydrophobicContact CG2-CG1 4.28Å; H149-V152 HydrophobicContact CB-CG1 3.94Å; V152-A233 HydrophobicContact CG2-CB 4.15Å; V152-A233 PolarHBondContact N-O 2.97Å; V152-A233 PolarHBondContact O-N 3.45Å; V152-M235 HydrophobicContact CB-SD 4.4Å; V152-M235 HydrophobicContact CG1-CG 3.82Å; V152-M235 HydrophobicContact CG1-SD 4.1Å; V152-M235 HydrophobicContact CG2-CE 4.35Å; V152-M235 HydrophobicContact CG2-CG 4.28Å; V152-M235 HydrophobicContact CG2-SD 3.52Å; V152-M235 VanDerWaalsContact CG2-SD 3.52Å
153	I	98.9	Very high	97.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	133.4	164.5	-65.7	164.8	0	0	0	108.3	I51 P52 V53 V54 L155 I165 L168 Y169 I231 V232	I51-I153 HydrophobicContact CG2-CD1 4.14Å; P52-I153 PolarHBondContact O-N 2.97Å; V53-I153 CarbonylContact C-O 3.54Å; V53-I153 HydrophobicContact CG2-CB 4.45Å; V54-I153 PolarHBondContact N-O 3.24Å; I153-L155 HydrophobicContact CG2-CD1 4.28Å; I153-L155 HydrophobicContact CG2-CD2 3.82Å; I153-L155 HydrophobicContact CG2-CG 3.77Å; I153-I165 HydrophobicContact CD1-CD1 4.05Å; I153-I165 HydrophobicContact CD1-CG1 3.75Å; I153-L168 HydrophobicContact CD1-CB 4.28Å; I153-L168 HydrophobicContact CD1-CD2 4.25Å; I153-L168 HydrophobicContact CD1-CG 4.16Å; I153-L168 HydrophobicContact CG1-CG 4.47Å; I153-L168 HydrophobicContact CG2-CD2 3.99Å; I153-Y169 HydrophobicContact CD1-CD2 4.03Å; I153-Y169 HydrophobicContact CD1-CG 4.45Å; I153-Y169 HydrophobicContact CG1-CD2 4.07Å; I153-I231 CarbonylContact C-O 3.57Å; I153-I231 WeakPolarHBondContact CA-O 3.2Å; I153-V232 HydrophobicContact CG1-CG2 4.48Å
154	Y	98.9	Very high	97.3	Very high	3 Å²	3	36 Å²	36	1%	0.012	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	133.8	165.2	171.9	-86.6	0	0	0	109.5	V54 V138 R139 L142 D156 V230 I231	V54-Y154 HydrophobicContact CB-CD2 4.15Å; V54-Y154 HydrophobicContact CG1-CD2 4.04Å; V54-Y154 WeakPolarHBondContact O-CA 3.3Å; V138-Y154 HydrophobicContact CG1-CE2 4.2Å; R139-Y154 HydrophobicContact CB-CD1 4.16Å; R139-Y154 HydrophobicContact CB-CD2 4.37Å; R139-Y154 HydrophobicContact CB-CE1 3.9Å; R139-Y154 HydrophobicContact CB-CE2 4.1Å; R139-Y154 HydrophobicContact CB-CG 4.38Å; R139-Y154 PolarHBondContact NE-OH 3.1Å; R139-Y154 PolarHBondContact NH2-OH 2.88Å; L142-Y154 HydrophobicContact CD2-CD2 3.82Å; L142-Y154 HydrophobicContact CD2-CG 4.4Å; Y154-D156 WeakPolarHBondContact CE1-OD1 3.46Å; Y154-D156 PolarHBondContact OH-OD1 3.33Å; Y154-V230 WeakPolarHBondContact O-CA 3.38Å; Y154-I231 HydrophobicContact CD1-CD1 3.78Å; Y154-I231 HydrophobicContact CD1-CG1 4.01Å; Y154-I231 HydrophobicContact CG-CD1 4.3Å; Y154-I231 PolarHBondContact N-O 3.3Å; Y154-I231 PolarHBondContact O-N 3.36Å
155	L	98.8	Very high	97.4	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	139.7	176.8	-59	175.3	0	0	0	110.7	V53 V54 I72 I153 V159 V161 I165 L168 G229 V230 L311	V53-L155 HydrophobicContact CG1-CD1 4.12Å; V54-L155 PolarHBondContact O-N 2.83Å; V54-L155 VanDerWaalsContact O-N 3.07Å; I72-L155 HydrophobicContact CD1-CD1 3.5Å; I72-L155 HydrophobicContact CG1-CD1 4.27Å; I153-L155 HydrophobicContact CG2-CD1 4.28Å; I153-L155 HydrophobicContact CG2-CD2 3.82Å; I153-L155 HydrophobicContact CG2-CG 3.77Å; L155-V159 HydrophobicContact CB-CG2 4.22Å; L155-V159 HydrophobicContact CD1-CG2 4.46Å; L155-V161 HydrophobicContact CD1-CG2 4.17Å; L155-I165 HydrophobicContact CD1-CD1 4.41Å; L155-L168 HydrophobicContact CD2-CD2 4.37Å; L155-G229 CarbonylContact C-O 3.46Å; L155-G229 WeakPolarHBondContact CA-O 3.28Å; L155-V230 HydrophobicContact CD2-CB 4.24Å; L155-V230 HydrophobicContact CD2-CG1 3.85Å; L155-V230 HydrophobicContact CD2-CG2 3.89Å; L155-L311 HydrophobicContact CD2-CD1 3.88Å
156	D	97.6	Very high	97.4	Very high	29 Å²	29	33.3 Å²	33.3	16%	0.155	16%	0.161	C	C	.	.			trans	-65.9	157.7	163.9	-80.2	-7.3	0	0	0	110.3	R139 Y154 D158 V159 G229 H313	R139-D156 IonicContact CZ-OD1 3.22Å; R139-D156 IonicContact NE-OD1 2.66Å; R139-D156 IonicContact NH2-OD1 2.65Å; R139-D156 PolarHBondContact NH2-OD1 3.18Å; R139-D156 IonicContact NH2-OD2 2.82Å; Y154-D156 WeakPolarHBondContact CE1-OD1 3.46Å; Y154-D156 PolarHBondContact OH-OD1 3.33Å; D156-D158 VanDerWaalsContact C-N 3.33Å; D156-D158 WeakPolarHBondContact CB-OD1 3.3Å; D156-D158 PolarHBondContact O-N 2.89Å; D156-V159 WeakPolarHBondContact O-CG2 3.42Å; D156-G229 PolarHBondContact N-O 3.01Å; D156-G229 VanDerWaalsContact OD2-CA 3.24Å; D156-G229 WeakPolarHBondContact OD2-CA 3.12Å; D156-H313 IonicContact OD2-CE1 3.44Å; D156-H313 IonicContact OD2-NE2 3.31Å
157	D	96.6	Very high	97.5	Very high	12 Å²	12	37.6 Å²	37.6	6%	0.064	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-7.6	-172.8	73.1	46.7	0	0	0	114.4	I55 R61 A64	I55-D157 HydrophobicContact CG1-CB 4.43Å; R61-D157 IonicContact CZ-OD1 3.75Å; R61-D157 IonicContact CZ-OD2 3.82Å; R61-D157 VanDerWaalsContact NE-CG 3.3Å; R61-D157 IonicContact NE-OD1 3.09Å; R61-D157 PolarHBondContact NE-OD1 3.03Å; R61-D157 IonicContact NE-OD2 3.96Å; R61-D157 PolarHBondContact NE-OD2 2.94Å; R61-D157 IonicContact NH2-OD1 3.97Å; R61-D157 PolarHBondContact NH2-OD1 3.03Å; R61-D157 IonicContact NH2-OD2 2.84Å; A64-D157 CarbonylContact C-O 3.6Å; A64-D157 VanDerWaalsContact CB-O 3.26Å; A64-D157 WeakPolarHBondContact CB-O 3.48Å
158	D	96.8	Very high	97.8	Very high	6 Å²	6	32.3 Å²	32.3	3%	0.032	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	37.4	179	45	3.2	0	0	0	112.8	R61 D156 H313 W314 K319 W321	R61-D158 IonicContact CZ-OD2 2.6Å; R61-D158 IonicContact NH1-OD2 2.75Å; R61-D158 IonicContact NH2-OD1 3.05Å; R61-D158 PolarHBondContact NH2-OD1 2.95Å; R61-D158 IonicContact NH2-OD2 2.72Å; R61-D158 PolarHBondContact NH2-OD2 3.22Å; D156-D158 VanDerWaalsContact C-N 3.33Å; D156-D158 WeakPolarHBondContact CB-OD1 3.3Å; D156-D158 PolarHBondContact O-N 2.89Å; D158-H313 PolarHBondContact O-CD2 2.91Å; D158-H313 IonicContact OD1-CD2 2.82Å; D158-H313 PolarHBondContact OD1-CD2 3.12Å; D158-H313 IonicContact OD1-NE2 3.56Å; D158-H313 PolarHBondContact OD1-NE2 3.04Å; D158-H313 VanDerWaalsContact OD1-NE2 3.12Å; D158-W314 HydrophobicContact CB-CB 4.5Å; D158-W314 PolarHBondContact O-N 3.36Å; D158-K319 HydrophobicContact CB-CD 4.49Å; D158-K319 IonicContact OD2-NZ 3.09Å; D158-K319 PolarHBondContact OD2-NZ 3.11Å; D158-W321 HydrophobicContact CB-CH2 3.89Å; D158-W321 HydrophobicContact CB-CZ3 4.14Å
159	V	98.4	Very high	98	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	152	177	-53.3	0	0	0	0	112.1	A68 L155 D156 L311 L312 H313	A68-V159 HydrophobicContact CB-CG2 4.08Å; A68-V159 WeakPolarHBondContact CB-O 3.36Å; L155-V159 HydrophobicContact CB-CG2 4.22Å; L155-V159 HydrophobicContact CD1-CG2 4.46Å; D156-V159 WeakPolarHBondContact O-CG2 3.42Å; V159-L311 HydrophobicContact CB-CD2 4.06Å; V159-L311 HydrophobicContact CB-CG 4.3Å; V159-L311 HydrophobicContact CG1-CD2 4Å; V159-L312 CarbonylContact C-O 3.47Å; V159-L312 WeakPolarHBondContact CA-O 3.5Å; V159-H313 HydrophobicContact CG1-CB 4.18Å
160	I	98.5	Very high	98.1	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	126	163.6	-66.9	-58.7	0	0	0	107.9	A67 Q162 L311 L312 W314 W331 W334	A67-I160 HydrophobicContact CB-CD1 4.4Å; I160-Q162 HydrophobicContact CG2-CG 4.17Å; I160-L311 CarbonylContact O-C 3.56Å; I160-L311 WeakPolarHBondContact O-CA 3.26Å; I160-L312 HydrophobicContact CB-CB 4.45Å; I160-L312 PolarHBondContact N-O 2.52Å; I160-L312 PolarHBondContact O-N 3.43Å; I160-W314 HydrophobicContact CB-CZ3 4.12Å; I160-W314 HydrophobicContact CG1-CH2 4.3Å; I160-W314 HydrophobicContact CG1-CZ3 3.79Å; I160-W331 HydrophobicContact CD1-CD2 4.16Å; I160-W331 HydrophobicContact CD1-CE3 3.61Å; I160-W331 HydrophobicContact CD1-CZ3 3.89Å; I160-W331 HydrophobicContact CG1-CD2 4.36Å; I160-W331 HydrophobicContact CG1-CE3 3.52Å; I160-W331 HydrophobicContact CG1-CZ3 3.97Å; I160-W334 HydrophobicContact CD1-CB 3.78Å; I160-W334 HydrophobicContact CD1-CG 3.94Å; I160-W334 HydrophobicContact CG2-CG 4.27Å
161	V	98.7	Very high	98.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	120.6	176.6	178.4	0	0	0	0	108.7	S71 I72 N75 L155 G163 I165 W288 L311	S71-V161 WeakPolarHBondContact CB-O 3.46Å; S71-V161 PolarHBondContact OG-N 2.85Å; I72-V161 HydrophobicContact CD1-CG2 4.23Å; I72-V161 HydrophobicContact CG1-CB 3.73Å; I72-V161 HydrophobicContact CG1-CG1 4.32Å; I72-V161 HydrophobicContact CG1-CG2 3.51Å; N75-V161 PolarHBondContact ND2-O 3.04Å; L155-V161 HydrophobicContact CD1-CG2 4.17Å; V161-G163 VanDerWaalsContact CG1-O 3.28Å; V161-G163 WeakPolarHBondContact CG1-O 3.45Å; V161-I165 HydrophobicContact CG1-CD1 4.29Å; V161-W288 HydrophobicContact CG1-CH2 4.28Å; V161-W288 HydrophobicContact CG1-CZ3 3.84Å; V161-L311 HydrophobicContact CG2-CD1 3.91Å; V161-L311 HydrophobicContact CG2-CG 4.17Å
162	Q	98.3	Very high	98.2	Very high	54 Å²	54	28 Å²	28	25%	0.252	15%	0.15	S	C	.	.			trans	-106.2	-25.6	179.8	-55.5	-173.8	127.4	0	0	112.2	I160 L306 A309 K310	I160-Q162 HydrophobicContact CG2-CG 4.17Å; Q162-L306 PolarHBondContact NE2-O 3.05Å; Q162-A309 PolarHBondContact NE2-O 3.16Å; Q162-K310 PolarHBondContact N-O 3.11Å
163	G	97.9	Very high	98.2	Very high	12 Å²	12	29.6 Å²	29.6	12%	0.124	16%	0.158	C	C	.	.	S	Bend	trans	-91.5	168.9	177.1	0	0	0	0	0	113.3	V161 I165 K310	V161-G163 VanDerWaalsContact CG1-O 3.28Å; V161-G163 WeakPolarHBondContact CG1-O 3.45Å; G163-I165 PolarHBondContact O-N 3.15Å; G163-K310 PolarHBondContact N-O 2.58Å
164	D	98.3	Very high	98.1	Very high	52 Å²	52	32 Å²	32	28%	0.278	18%	0.178	S	C	.	.			trans	-69.5	113.5	174.1	-174.2	-13.7	0	0	0	110.9	N75 T76 Q166 E167 W288	N75-D164 WeakPolarHBondContact O-CA 3.27Å; T76-D164 VanDerWaalsContact CB-OD1 3.29Å; T76-D164 WeakPolarHBondContact CB-OD1 3.44Å; T76-D164 PolarHBondContact OG1-OD1 3.03Å; D164-Q166 PolarHBondContact O-N 3.38Å; D164-Q166 WeakPolarHBondContact OD1-CB 3.32Å; D164-Q166 PolarHBondContact OD1-N 2.9Å; D164-E167 PolarHBondContact O-N 3.01Å; D164-W288 VanDerWaalsContact C-CH2 3.47Å; D164-W288 WeakPolarHBondContact O-CH2 3.26Å; D164-W288 WeakPolarHBondContact O-CZ2 3.22Å
165	I	98.4	Very high	98	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.2	-21.1	-175.1	-161.2	65.5	0	0	0	113.2	V53 I72 T76 I80 I153 L155 V161 G163 E167 L168 Y169 W288	V53-I165 HydrophobicContact CG2-CG1 4.43Å; I72-I165 HydrophobicContact CG2-CB 4.17Å; I72-I165 HydrophobicContact CG2-CG1 4.18Å; I72-I165 HydrophobicContact CG2-CG2 4.16Å; T76-I165 HydrophobicContact CG2-CG2 3.93Å; I80-I165 HydrophobicContact CD1-CG2 4.02Å; I80-I165 HydrophobicContact CG1-CG2 4.16Å; I153-I165 HydrophobicContact CD1-CD1 4.05Å; I153-I165 HydrophobicContact CD1-CG1 3.75Å; L155-I165 HydrophobicContact CD1-CD1 4.41Å; V161-I165 HydrophobicContact CG1-CD1 4.29Å; G163-I165 PolarHBondContact O-N 3.15Å; I165-E167 VanDerWaalsContact C-N 3.26Å; I165-E167 PolarHBondContact O-N 2.94Å; I165-L168 HydrophobicContact CD1-CB 4.21Å; I165-L168 HydrophobicContact CD1-CD2 3.79Å; I165-L168 WeakPolarHBondContact O-CB 3.47Å; I165-L168 PolarHBondContact O-N 3.39Å; I165-L168 VanDerWaalsContact O-N 3.15Å; I165-Y169 PolarHBondContact O-N 2.68Å; I165-W288 HydrophobicContact CD1-CH2 4.49Å; I165-W288 HydrophobicContact CD1-CZ3 4.02Å
166	Q	98.1	Very high	98	Very high	82 Å²	82	41.9 Å²	41.9	38%	0.383	24%	0.237	S	C	.	.	H	α-helix	trans	-58.3	-40	174.5	-178.4	161	62.5	0	0	111.5	I51 A78 D164 L168 Y169 D170	I51-Q166 HydrophobicContact CD1-CB 3.9Å; I51-Q166 HydrophobicContact CD1-CG 4.12Å; A78-Q166 HydrophobicContact CB-CB 4.21Å; D164-Q166 PolarHBondContact O-N 3.38Å; D164-Q166 WeakPolarHBondContact OD1-CB 3.32Å; D164-Q166 PolarHBondContact OD1-N 2.9Å; Q166-L168 VanDerWaalsContact C-N 3.28Å; Q166-L168 PolarHBondContact O-N 3.08Å; Q166-Y169 WeakPolarHBondContact O-CA 3.49Å; Q166-Y169 WeakPolarHBondContact O-CB 3.32Å; Q166-Y169 PolarHBondContact O-N 3.05Å; Q166-D170 VanDerWaalsContact O-CG 3.3Å; Q166-D170 PolarHBondContact O-N 2.83Å
167	E	98.2	Very high	98	Very high	92 Å²	92	42.6 Å²	42.6	43%	0.43	24%	0.239	S	C	.	.	H	α-helix	trans	-63.5	-35.9	177.9	-54.8	-179.8	-166.3	0	0	112.6	D164 I165 Y169 D170 W288 K310	D164-E167 PolarHBondContact O-N 3.01Å; I165-E167 VanDerWaalsContact C-N 3.26Å; I165-E167 PolarHBondContact O-N 2.94Å; E167-Y169 VanDerWaalsContact C-N 3.35Å; E167-D170 PolarHBondContact O-N 3.29Å; E167-W288 HydrophobicContact CB-CZ2 3.87Å; E167-W288 HydrophobicContact CG-CZ2 4.47Å; E167-W288 PolarHBondContact OE2-NE1 3.02Å; E167-K310 IonicContact OE1-NZ 3.83Å; E167-K310 PolarHBondContact OE1-NZ 2.77Å; E167-K310 IonicContact OE2-NZ 3.07Å; E167-K310 PolarHBondContact OE2-NZ 3.47Å
168	L	98.5	Very high	98.1	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66.3	-42.8	174.6	-178.7	59.5	0	0	0	109.9	I153 L155 I165 Q166 D170 T171 V230 V232 I284 W288	I153-L168 HydrophobicContact CD1-CB 4.28Å; I153-L168 HydrophobicContact CD1-CD2 4.25Å; I153-L168 HydrophobicContact CD1-CG 4.16Å; I153-L168 HydrophobicContact CG1-CG 4.47Å; I153-L168 HydrophobicContact CG2-CD2 3.99Å; L155-L168 HydrophobicContact CD2-CD2 4.37Å; I165-L168 HydrophobicContact CD1-CB 4.21Å; I165-L168 HydrophobicContact CD1-CD2 3.79Å; I165-L168 WeakPolarHBondContact O-CB 3.47Å; I165-L168 PolarHBondContact O-N 3.39Å; I165-L168 VanDerWaalsContact O-N 3.15Å; Q166-L168 VanDerWaalsContact C-N 3.28Å; Q166-L168 PolarHBondContact O-N 3.08Å; L168-D170 VanDerWaalsContact C-N 3.26Å; L168-D170 PolarHBondContact O-N 3.19Å; L168-T171 VanDerWaalsContact O-CB 3.27Å; L168-T171 WeakPolarHBondContact O-CB 3.07Å; L168-T171 PolarHBondContact O-N 2.94Å; L168-T171 PolarHBondContact O-OG1 2.9Å; L168-V230 HydrophobicContact CD1-CG1 4.38Å; L168-V230 HydrophobicContact CD2-CG1 3.93Å; L168-V232 HydrophobicContact CD1-CG2 3.82Å; L168-V232 HydrophobicContact CG-CG2 3.98Å; L168-V232 WeakPolarHBondContact O-CG2 3.34Å; L168-I284 HydrophobicContact CD1-CD1 4.34Å; L168-I284 HydrophobicContact CD1-CG2 3.77Å; L168-W288 HydrophobicContact CB-CD2 3.81Å; L168-W288 HydrophobicContact CB-CE3 3.77Å; L168-W288 HydrophobicContact CB-CG 4.48Å; L168-W288 HydrophobicContact CB-CH2 4.09Å; L168-W288 HydrophobicContact CB-CZ2 4.13Å; L168-W288 HydrophobicContact CB-CZ3 3.89Å; L168-W288 HydrophobicContact CD1-CB 4.06Å; L168-W288 HydrophobicContact CD1-CD2 4.15Å; L168-W288 HydrophobicContact CD1-CE3 4.31Å; L168-W288 HydrophobicContact CD1-CG 4.05Å; L168-W288 HydrophobicContact CD2-CE3 3.87Å; L168-W288 HydrophobicContact CD2-CZ3 4.21Å; L168-W288 HydrophobicContact CG-CD2 4.36Å; L168-W288 HydrophobicContact CG-CE3 4.19Å
169	Y	98.4	Very high	98.2	Very high	12 Å²	12	41.8 Å²	41.8	5%	0.047	24%	0.235	C	C	.	.	H	α-helix	trans	-59.3	-39.2	177.3	-169.1	-109.5	0	0	0	111.8	E49 I51 P52 K151 I153 I165 Q166 E167 T171	E49-Y169 HydrophobicContact CG-CE1 4.48Å; E49-Y169 WeakPolarHBondContact OE1-CE1 3.45Å; I51-Y169 HydrophobicContact CD1-CD1 4.33Å; I51-Y169 HydrophobicContact CD1-CG 4.26Å; I51-Y169 HydrophobicContact CG1-CD1 4.12Å; I51-Y169 HydrophobicContact CG1-CE1 4.47Å; I51-Y169 HydrophobicContact CG1-CG 4.19Å; I51-Y169 HydrophobicContact CG2-CD2 3.67Å; I51-Y169 HydrophobicContact CG2-CE2 4.2Å; I51-Y169 HydrophobicContact CG2-CG 3.89Å; P52-Y169 HydrophobicContact CG-CE2 4.45Å; K151-Y169 HydrophobicContact CB-CE2 4.16Å; K151-Y169 HydrophobicContact CD-CE2 4.26Å; K151-Y169 VanDerWaalsContact CE-CE2 3.42Å; K151-Y169 VanDerWaalsContact CE-O 3.24Å; K151-Y169 WeakPolarHBondContact CE-O 3.29Å; K151-Y169 HydrophobicContact CG-CE2 3.98Å; K151-Y169 PolarHBondContact NZ-O 3.42Å; K151-Y169 PolarHBondContact O-OH 3.04Å; I153-Y169 HydrophobicContact CD1-CD2 4.03Å; I153-Y169 HydrophobicContact CD1-CG 4.45Å; I153-Y169 HydrophobicContact CG1-CD2 4.07Å; I165-Y169 PolarHBondContact O-N 2.68Å; Q166-Y169 WeakPolarHBondContact O-CA 3.49Å; Q166-Y169 WeakPolarHBondContact O-CB 3.32Å; Q166-Y169 PolarHBondContact O-N 3.05Å; E167-Y169 VanDerWaalsContact C-N 3.35Å; Y169-T171 PolarHBondContact O-N 2.96Å; Y169-T171 VanDerWaalsContact O-N 3.16Å
170	D	97.6	Very high	98.2	Very high	88 Å²	88	41.8 Å²	41.8	47%	0.471	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	0.3	-178.6	-69.8	-15.8	0	0	0	114.3	Q166 E167 L168 T172	Q166-D170 VanDerWaalsContact O-CG 3.3Å; Q166-D170 PolarHBondContact O-N 2.83Å; E167-D170 PolarHBondContact O-N 3.29Å; L168-D170 VanDerWaalsContact C-N 3.26Å; L168-D170 PolarHBondContact O-N 3.19Å; D170-T172 PolarHBondContact O-N 3.29Å
171	T	98.2	Very high	98.2	Very high	24 Å²	24	41.8 Å²	41.8	15%	0.147	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-50	116.3	172	-61.8	0	0	0	0	110.4	L168 Y169 L173 A180	L168-T171 VanDerWaalsContact O-CB 3.27Å; L168-T171 WeakPolarHBondContact O-CB 3.07Å; L168-T171 PolarHBondContact O-N 2.94Å; L168-T171 PolarHBondContact O-OG1 2.9Å; Y169-T171 PolarHBondContact O-N 2.96Å; Y169-T171 VanDerWaalsContact O-N 3.16Å; T171-L173 PolarHBondContact O-N 3.37Å; T171-A180 HydrophobicContact CG2-CB 3.92Å
172	T	97.7	Very high	98	Very high	123 Å²	123	41.9 Å²	41.9	76%	0.755	24%	0.236	S	C	*	.	P	Polyproline II helix	trans	-72.6	125.2	-179.8	-61.8	0	0	0	0	110.2	D170	D170-T172 PolarHBondContact O-N 3.29Å
173	L	98.5	Very high	97.7	Very high	32 Å²	32	41.7 Å²	41.7	17%	0.168	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-94.6	125.5	174.5	-58.9	178	0	0	0	109.6	T171 A180 N234 S282	T171-L173 PolarHBondContact O-N 3.37Å; L173-A180 HydrophobicContact CD2-CB 3.52Å; L173-N234 HydrophobicContact CD1-CB 3.58Å; L173-S282 WeakPolarHBondContact CA-OG 3.39Å
174	A	98.3	Very high	97.2	Very high	51 Å²	51	41.2 Å²	41.2	42%	0.421	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-61.5	154.8	175.5	0	0	0	0	0	111	G176 H177 S282	A174-G176 PolarHBondContact O-N 3.14Å; A174-H177 WeakPolarHBondContact O-CB 3.13Å; A174-H177 PolarHBondContact O-N 3.03Å; A174-S282 PolarHBondContact N-OG 3.46Å
175	L	97.2	Very high	96.5	Very high	181 Å²	181	40.1 Å²	40.1	95%	0.948	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	126.2	-179	-177.6	65.2	0	0	0	111	H177	L175-H177 VanDerWaalsContact C-N 3.29Å; L175-H177 PolarHBondContact O-N 3.07Å
176	G	97.2	Very high	95.3	Very high	29 Å²	29	42.4 Å²	42.4	30%	0.299	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	3.8	-178	0	0	0	0	0	114.8	A174 Q241	A174-G176 PolarHBondContact O-N 3.14Å; G176-Q241 PolarHBondContact O-NE2 2.66Å
177	H	98.6	Very high	93.4	Very high	44 Å²	44	43.1 Å²	43.1	20%	0.204	25%	0.246	C	C	.	.			trans	-90.8	120.7	170.1	-67.7	-174.9	0	0	0	110	A174 L175 Y281 S282	A174-H177 WeakPolarHBondContact O-CB 3.13Å; A174-H177 PolarHBondContact O-N 3.03Å; L175-H177 VanDerWaalsContact C-N 3.29Å; L175-H177 PolarHBondContact O-N 3.07Å; H177-Y281 PolarHBondContact CE1-O 3.02Å; H177-Y281 PolarHBondContact ND1-O 3.22Å; H177-Y281 VanDerWaalsContact ND1-O 3.12Å; H177-S282 PolarHBondContact ND1-N 3.22Å; H177-S282 PolarHBondContact ND1-OG 2.93Å
178	A	98.6	Very high	91.4	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.008	24%	0.236	C	C	.	.			trans	-85.5	-9.7	179.4	0	0	0	0	0	113.8	A233 N234 E237 W238 I243 F277	A178-A233 CarbonylContact O-C 3.57Å; A178-A233 WeakPolarHBondContact O-CA 3.46Å; A178-N234 PolarHBondContact O-N 2.72Å; A178-E237 HydrophobicContact CB-CB 4.1Å; A178-E237 HydrophobicContact CB-CG 3.96Å; A178-W238 HydrophobicContact CB-CB 4.11Å; A178-I243 HydrophobicContact CB-CD1 3.25Å; A178-F277 HydrophobicContact CB-CE1 4.28Å
179	A	98.6	Very high	89	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	159.2	-179.8	0	0	0	0	0	112.3	F181 I231 V232 W238 F277 Y281 S282	A179-F181 HydrophobicContact CB-CD2 4.49Å; A179-F181 HydrophobicContact CB-CE1 4.39Å; A179-F181 HydrophobicContact CB-CE2 3.64Å; A179-F181 HydrophobicContact CB-CZ 3.58Å; A179-I231 HydrophobicContact CB-CG2 3.96Å; A179-V232 CarbonylContact C-O 3.47Å; A179-V232 WeakPolarHBondContact CA-O 3.28Å; A179-W238 HydrophobicContact CB-CZ3 4.17Å; A179-F277 HydrophobicContact CB-CD1 4.34Å; A179-F277 HydrophobicContact CB-CE1 3.68Å; A179-F277 HydrophobicContact CB-CZ 4.08Å; A179-Y281 WeakPolarHBondContact O-CA 3.22Å; A179-Y281 WeakPolarHBondContact O-CB 3.47Å; A179-S282 PolarHBondContact O-N 3.05Å
180	A	98.7	Very high	86.5	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	148	161	0	0	0	0	0	111.6	T171 L173 V232 S282 I284	T171-A180 HydrophobicContact CG2-CB 3.92Å; L173-A180 HydrophobicContact CD2-CB 3.52Å; A180-V232 HydrophobicContact CB-CB 4.3Å; A180-V232 PolarHBondContact N-O 2.93Å; A180-V232 PolarHBondContact O-N 3.07Å; A180-S282 CarbonylContact C-O 3.51Å; A180-S282 WeakPolarHBondContact CA-O 3.26Å; A180-S282 VanDerWaalsContact CB-O 3.27Å; A180-S282 WeakPolarHBondContact CB-O 3.24Å; A180-I284 HydrophobicContact CB-CD1 4.35Å; A180-I284 HydrophobicContact CB-CG1 3.69Å
181	F	97.7	Very high	83.7	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	163	176.4	-53.4	-79	0	0	0	110	A179 F226 P228 I231 M273 F277 Y281 S282 T283 I284	A179-F181 HydrophobicContact CB-CD2 4.49Å; A179-F181 HydrophobicContact CB-CE1 4.39Å; A179-F181 HydrophobicContact CB-CE2 3.64Å; A179-F181 HydrophobicContact CB-CZ 3.58Å; F181-F226 HydrophobicContact CB-CB 3.75Å; F181-F226 HydrophobicContact CB-CD2 3.66Å; F181-F226 HydrophobicContact CB-CE2 4.42Å; F181-F226 HydrophobicContact CB-CG 3.75Å; F181-F226 AromaticContact CD1-CD2 3.75Å; F181-F226 HydrophobicContact CD1-CD2 3.75Å; F181-F226 AromaticContact CD1-CE2 3.8Å; F181-F226 HydrophobicContact CD1-CE2 3.8Å; F181-F226 HydrophobicContact CD2-CD1 4.22Å; F181-F226 AromaticContact CD2-CD2 3.84Å; F181-F226 HydrophobicContact CD2-CD2 3.84Å; F181-F226 HydrophobicContact CD2-CE1 4.14Å; F181-F226 AromaticContact CD2-CE2 3.78Å; F181-F226 HydrophobicContact CD2-CE2 3.78Å; F181-F226 HydrophobicContact CD2-CG 4.07Å; F181-F226 AromaticContact CD2-CZ 3.93Å; F181-F226 HydrophobicContact CD2-CZ 3.93Å; F181-F226 HydrophobicContact CE1-CD2 4.34Å; F181-F226 AromaticContact CE1-CE2 3.91Å; F181-F226 HydrophobicContact CE1-CE2 3.91Å; F181-F226 HydrophobicContact CE2-CD2 4.44Å; F181-F226 HydrophobicContact CE2-CE1 4.38Å; F181-F226 AromaticContact CE2-CE2 3.93Å; F181-F226 HydrophobicContact CE2-CE2 3.93Å; F181-F226 AromaticContact CE2-CZ 3.89Å; F181-F226 HydrophobicContact CE2-CZ 3.89Å; F181-F226 HydrophobicContact CG-CB 4.45Å; F181-F226 AromaticContact CG-CD2 3.46Å; F181-F226 HydrophobicContact CG-CD2 3.46Å; F181-F226 VanDerWaalsContact CG-CD2 3.46Å; F181-F226 AromaticContact CG-CE2 3.73Å; F181-F226 HydrophobicContact CG-CE2 3.73Å; F181-F226 AromaticContact CG-CG 3.91Å; F181-F226 HydrophobicContact CG-CG 3.91Å; F181-F226 HydrophobicContact CG-CZ 4.36Å; F181-F226 AromaticContact CZ-CE2 3.99Å; F181-F226 HydrophobicContact CZ-CE2 3.99Å; F181-F226 HydrophobicContact CZ-CZ 4.24Å; F181-P228 HydrophobicContact CE1-CB 4.48Å; F181-I231 HydrophobicContact CD1-CB 4.48Å; F181-I231 HydrophobicContact CD1-CG1 4.02Å; F181-I231 HydrophobicContact CD1-CG2 4.21Å; F181-I231 HydrophobicContact CE1-CB 4.16Å; F181-I231 HydrophobicContact CE1-CD1 3.92Å; F181-I231 HydrophobicContact CE1-CG1 3.67Å; F181-I231 HydrophobicContact CE1-CG2 3.61Å; F181-I231 HydrophobicContact CZ-CG2 4.13Å; F181-M273 HydrophobicContact CE1-CE 3.52Å; F181-M273 HydrophobicContact CZ-CE 3.67Å; F181-F277 HydrophobicContact CE2-CB 4.04Å; F181-F277 AromaticContact CE2-CD1 3.8Å; F181-F277 HydrophobicContact CE2-CD1 3.8Å; F181-F277 HydrophobicContact CE2-CD2 4.01Å; F181-F277 HydrophobicContact CE2-CE1 4.2Å; F181-F277 HydrophobicContact CE2-CE2 4.41Å; F181-F277 AromaticContact CE2-CG 3.68Å; F181-F277 HydrophobicContact CE2-CG 3.68Å; F181-F277 HydrophobicContact CE2-CZ 4.48Å; F181-F277 HydrophobicContact CZ-CD1 4.29Å; F181-F277 AromaticContact CZ-CD2 3.95Å; F181-F277 HydrophobicContact CZ-CD2 3.95Å; F181-F277 HydrophobicContact CZ-CE1 4.33Å; F181-F277 HydrophobicContact CZ-CE2 4Å; F181-F277 HydrophobicContact CZ-CG 4.1Å; F181-F277 HydrophobicContact CZ-CZ 4.18Å; F181-Y281 HydrophobicContact CB-CD2 4.03Å; F181-Y281 HydrophobicContact CB-CE2 4.32Å; F181-Y281 AromaticContact CD2-CD2 3.67Å; F181-Y281 HydrophobicContact CD2-CD2 3.67Å; F181-Y281 AromaticContact CD2-CG 3.74Å; F181-Y281 HydrophobicContact CD2-CG 3.74Å; F181-Y281 HydrophobicContact CE2-CG 4.38Å; F181-Y281 HydrophobicContact CG-CD2 4.35Å; F181-S282 PolarHBondContact N-O 3.24Å; F181-T283 WeakPolarHBondContact O-CA 3.18Å; F181-I284 PolarHBondContact O-N 3.03Å
182	S	94.4	Very high	81.5	Confident	3 Å²	3	54.3 Å²	54.3	2%	0.021	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	137.6	164.3	-174.2	0	0	0	0	110.4	F226 N227 H289 R291	S182-F226 CarbonylContact O-C 3.43Å; S182-F226 VanDerWaalsContact O-CA 3.24Å; S182-F226 WeakPolarHBondContact O-CA 3.26Å; S182-F226 VanDerWaalsContact O-CB 3.26Å; S182-F226 WeakPolarHBondContact O-CB 2.94Å; S182-N227 PolarHBondContact O-N 3.27Å; S182-H289 VanDerWaalsContact CB-ND1 3.3Å; S182-H289 WeakPolarHBondContact CB-ND1 3.33Å; S182-R291 PolarHBondContact OG-NH1 3.09Å
183	D	91.9	Very high	79.1	Confident	50 Å²	50	55.2 Å²	55.2	27%	0.267	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	148.4	166.5	-70.7	-12.9	0	0	0	110.2	S225 Y281 R291	D183-S225 CarbonylContact C-O 3.57Å; D183-Y281 PolarHBondContact OD1-OH 2.99Å; D183-R291 PolarHBondContact O-NH1 3.37Å; D183-R291 PolarHBondContact O-NH2 3Å
184	D	88.6	Confident	76.8	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.005	34%	0.337	C	S	.	.	S	Bend	trans	-126.5	17.8	-177.1	-160.5	35.9	0	0	0	112.5	N201 S225 N227 R291 H292	D184-N201 HydrophobicContact CB-CB 4.45Å; D184-N201 VanDerWaalsContact O-CB 3.29Å; D184-N201 WeakPolarHBondContact O-CB 3.44Å; D184-N201 PolarHBondContact OD2-ND2 2.84Å; D184-S225 PolarHBondContact N-O 2.76Å; D184-N227 HydrophobicContact CB-CB 4.06Å; D184-R291 VanDerWaalsContact OD1-CD 3.31Å; D184-R291 WeakPolarHBondContact OD1-CD 3.37Å; D184-R291 IonicContact OD1-CZ 2.66Å; D184-R291 IonicContact OD1-NE 2.75Å; D184-R291 PolarHBondContact OD1-NE 3.29Å; D184-R291 IonicContact OD1-NH2 3.99Å; D184-H292 IonicContact OD1-CE1 3.43Å; D184-H292 PolarHBondContact OD1-CE1 3.46Å; D184-H292 IonicContact OD1-NE2 3.62Å; D184-H292 PolarHBondContact OD1-NE2 3.34Å; D184-H292 IonicContact OD2-CE1 3.21Å
185	C	84.1	Confident	74.7	Confident	30 Å²	30	57.3 Å²	57.3	20%	0.203	32%	0.324	C	S	.	.			trans	-108.9	5.9	178.6	72.5	0	0	0	0	113.8	L187 C224	C185-L187 PolarHBondContact O-N 2.87Å; C185-C224 HydrophobicContact CB-CB 3.85Å; C185-C224 WeakPolarHBondContact CB-SG 3.43Å; C185-C224 WeakPolarHBondContact SG-CB 3.37Å; C185-C224 CovalentContact SG-SG 2.01Å; C185-C224 PolarHBondContact SG-SG 3.24Å
186	D	71.4	Confident	72.4	Confident	47 Å²	47	54.8 Å²	54.8	25%	0.251	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-59.6	120.1	-176	-53.4	-41	0	0	0	110.4	R291	D186-R291 IonicContact OD2-NH2 3.4Å; D186-R291 PolarHBondContact OD2-NH2 3.11Å
187	L	60	Low	70.3	Confident	98 Å²	98	54.2 Å²	54.2	51%	0.513	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-80	144.2	160.1	-74.9	-179.8	0	0	0	108.6	C185 S189 Q200	C185-L187 PolarHBondContact O-N 2.87Å; L187-S189 PolarHBondContact O-N 3.07Å; L187-Q200 HydrophobicContact CD1-CG 4.33Å; L187-Q200 HydrophobicContact CD2-CG 3.67Å; L187-Q200 HydrophobicContact CG-CG 3.82Å
188	P	55.2	Low	68.1	Low	35 Å²	35	53.5 Å²	53.5	23%	0.227	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-48.6	128.5	158.9	-20.1	28.1	0	0	0	108.2	D192 R195 G198	P188-D192 HydrophobicContact CB-CB 4.37Å; P188-R195 HydrophobicContact CB-CB 4.07Å; P188-R195 HydrophobicContact CB-CG 4.46Å; P188-R195 WeakPolarHBondContact CB-O 3.31Å; P188-R195 HydrophobicContact CG-CB 4.08Å; P188-R195 HydrophobicContact CG-CG 4Å; P188-R195 WeakPolarHBondContact CG-O 3.19Å; P188-G198 VanDerWaalsContact CD-CA 3.44Å
189	S	47.2	Very low	66.4	Low	53 Å²	53	55 Å²	55	37%	0.371	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-59.8	154.7	169.7	75.7	0	0	0	0	108.5	L187 Q191 D192	L187-S189 PolarHBondContact O-N 3.07Å; S189-Q191 PolarHBondContact O-N 3.12Å; S189-Q191 PolarHBondContact OG-N 3.3Å; S189-D192 WeakPolarHBondContact CB-OD2 3.37Å; S189-D192 PolarHBondContact O-N 2.88Å; S189-D192 PolarHBondContact OG-N 3Å; S189-D192 VanDerWaalsContact OG-N 3.07Å; S189-D192 PolarHBondContact OG-OD2 2.91Å
190	A	46.3	Very low	65.2	Low	111 Å²	111	61 Å²	61	92%	0.917	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-11.4	174.1	0	0	0	0	0	113.1
191	Q	40.1	Very low	64.5	Low	175 Å²	175	61.3 Å²	61.3	82%	0.818	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-18.1	174.6	-66	177.6	-14	0	0	112.7	S189 I193	S189-Q191 PolarHBondContact O-N 3.12Å; S189-Q191 PolarHBondContact OG-N 3.3Å; Q191-I193 VanDerWaalsContact C-N 3.3Å; Q191-I193 PolarHBondContact O-N 3.09Å; Q191-I193 VanDerWaalsContact O-N 3.16Å
192	D	50.5	Low	64.2	Low	77 Å²	77	62.8 Å²	62.8	41%	0.412	35%	0.352	S	S	.	.			trans	-89.8	63.2	175.5	-67.5	-48.1	0	0	0	111.3	P188 S189 N194 R195	P188-D192 HydrophobicContact CB-CB 4.37Å; S189-D192 WeakPolarHBondContact CB-OD2 3.37Å; S189-D192 PolarHBondContact O-N 2.88Å; S189-D192 PolarHBondContact OG-N 3Å; S189-D192 VanDerWaalsContact OG-N 3.07Å; S189-D192 PolarHBondContact OG-OD2 2.91Å; D192-N194 PolarHBondContact O-N 2.75Å; D192-R195 PolarHBondContact O-N 2.83Å; D192-R195 VanDerWaalsContact O-N 3.12Å
193	I	47.9	Very low	64.2	Low	142 Å²	142	62.7 Å²	62.7	73%	0.728	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-16.6	170.1	-34.8	175.6	0	0	0	111.1	Q191	Q191-I193 VanDerWaalsContact C-N 3.3Å; Q191-I193 PolarHBondContact O-N 3.09Å; Q191-I193 VanDerWaalsContact O-N 3.16Å
194	N	50.3	Low	64.1	Low	88 Å²	88	65 Å²	65	47%	0.471	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-11.4	-179.5	-62.4	-31.1	0	0	0	114.6	D192	D192-N194 PolarHBondContact O-N 2.75Å
195	R	53.5	Low	64.2	Low	38 Å²	38	65.3 Å²	65.3	14%	0.143	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-117.1	97.3	177.2	-171.1	-179.4	174.9	171.7	-1.1	108.5	P188 D192 V197 Y301	P188-R195 HydrophobicContact CB-CB 4.07Å; P188-R195 HydrophobicContact CB-CG 4.46Å; P188-R195 WeakPolarHBondContact CB-O 3.31Å; P188-R195 HydrophobicContact CG-CB 4.08Å; P188-R195 HydrophobicContact CG-CG 4Å; P188-R195 WeakPolarHBondContact CG-O 3.19Å; D192-R195 PolarHBondContact O-N 2.83Å; D192-R195 VanDerWaalsContact O-N 3.12Å; R195-V197 VanDerWaalsContact C-N 3.28Å; R195-V197 PolarHBondContact NE-O 2.82Å; R195-V197 PolarHBondContact O-N 3.31Å; R195-Y301 HydrophobicContact CG-CE1 4.15Å
196	L	49	Very low	64.5	Low	129 Å²	129	64.3 Å²	64.3	68%	0.675	36%	0.358	S	S	*	.			trans	-83.7	-1	-179.4	-78.3	153	0	0	0	113.8	R300	L196-R300 HydrophobicContact CD1-CB 4.31Å
197	V	52.9	Low	65.6	Low	17 Å²	17	62.2 Å²	62.2	10%	0.103	35%	0.346	C	S	.	.			trans	-124.5	100	-178.1	-172.8	0	0	0	0	109.9	R195 L199 H292 A299	R195-V197 VanDerWaalsContact C-N 3.28Å; R195-V197 PolarHBondContact NE-O 2.82Å; R195-V197 PolarHBondContact O-N 3.31Å; V197-L199 HydrophobicContact CG1-CD1 4.34Å; V197-H292 HydrophobicContact CG1-CB 4.02Å; V197-A299 HydrophobicContact CG2-CB 3.71Å
198	G	53.1	Low	67.2	Low	28 Å²	28	58.2 Å²	58.2	29%	0.289	33%	0.325	S	S	.	.			trans	-113.7	120.9	164.9	0	0	0	0	0	109.4	P188	P188-G198 VanDerWaalsContact CD-CA 3.44Å
199	L	63.7	Low	69	Low	34 Å²	34	58.4 Å²	58.4	18%	0.178	32%	0.322	C	S	.	.			trans	-109.7	119	170.3	-68.7	153.2	0	0	0	106.6	V197 N201 W295	V197-L199 HydrophobicContact CG1-CD1 4.34Å; L199-N201 PolarHBondContact O-N 3.01Å; L199-W295 HydrophobicContact CD1-CB 4.43Å; L199-W295 HydrophobicContact CD1-CD2 3.18Å; L199-W295 VanDerWaalsContact CD1-CE2 3.48Å; L199-W295 HydrophobicContact CD1-CE3 3.14Å; L199-W295 HydrophobicContact CD1-CG 3.77Å; L199-W295 HydrophobicContact CD1-CH2 3.65Å; L199-W295 HydrophobicContact CD1-CZ2 3.72Å; L199-W295 HydrophobicContact CD1-CZ3 3.37Å; L199-W295 HydrophobicContact CD2-CE3 3.89Å; L199-W295 HydrophobicContact CD2-CH2 4.16Å; L199-W295 HydrophobicContact CD2-CZ3 3.54Å; L199-W295 HydrophobicContact CG-CE3 4.13Å; L199-W295 HydrophobicContact CG-CH2 4.42Å; L199-W295 HydrophobicContact CG-CZ3 4.06Å
200	Q	71.8	Confident	71.3	Confident	125 Å²	125	65.2 Å²	65.2	58%	0.584	34%	0.339	S	S	*	.			trans	-75.2	72.8	169.7	-72.5	-173.5	-21.5	0	0	108.9	L187 T202	L187-Q200 HydrophobicContact CD1-CG 4.33Å; L187-Q200 HydrophobicContact CD2-CG 3.67Å; L187-Q200 HydrophobicContact CG-CG 3.82Å; Q200-T202 VanDerWaalsContact C-N 3.3Å; Q200-T202 PolarHBondContact O-N 2.99Å
201	N	85.4	Confident	73.6	Confident	7 Å²	7	62.8 Å²	62.8	4%	0.037	31%	0.308	C	S	.	.			trans	-72.3	95.4	172.3	-64	-29.5	0	0	0	107.3	D184 L199 Y206 S225	D184-N201 HydrophobicContact CB-CB 4.45Å; D184-N201 VanDerWaalsContact O-CB 3.29Å; D184-N201 WeakPolarHBondContact O-CB 3.44Å; D184-N201 PolarHBondContact OD2-ND2 2.84Å; L199-N201 PolarHBondContact O-N 3.01Å; N201-Y206 HydrophobicContact CB-CE2 4.02Å; N201-S225 WeakPolarHBondContact CB-OG 3.02Å; N201-S225 VanDerWaalsContact O-CB 3.23Å; N201-S225 WeakPolarHBondContact O-CB 3.3Å; N201-S225 PolarHBondContact O-N 3.17Å; N201-S225 PolarHBondContact O-OG 2.01Å
202	T	91.2	Very high	76.3	Confident	30 Å²	30	61.2 Å²	61.2	18%	0.184	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-102.3	168.9	173.2	58.5	0	0	0	0	109.7	Q200 M204 G205 Y206 P221 T223	Q200-T202 VanDerWaalsContact C-N 3.3Å; Q200-T202 PolarHBondContact O-N 2.99Å; T202-M204 PolarHBondContact O-N 3.38Å; T202-G205 PolarHBondContact O-N 3.05Å; T202-Y206 WeakPolarHBondContact O-CD2 3.46Å; T202-P221 WeakPolarHBondContact CB-O 3.25Å; T202-P221 PolarHBondContact OG1-O 3.06Å; T202-T223 CarbonylContact C-O 3.59Å; T202-T223 WeakPolarHBondContact CA-O 3.37Å; T202-T223 VanDerWaalsContact CB-O 3.31Å; T202-T223 WeakPolarHBondContact CB-O 3.45Å
203	Y	93.5	Very high	78.5	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.008	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-56	-26.4	178.1	-84.6	-124	0	0	0	112.9	G205 Y206 L207 Y209 I219 T223 C224 L274 H278	Y203-G205 PolarHBondContact O-N 3.48Å; Y203-Y206 PolarHBondContact O-N 3.35Å; Y203-L207 HydrophobicContact CD1-CD1 3.72Å; Y203-L207 HydrophobicContact CE1-CD1 4.45Å; Y203-L207 PolarHBondContact O-N 2.79Å; Y203-Y209 WeakPolarHBondContact CB-OH 3.43Å; Y203-I219 HydrophobicContact CD1-CD1 4.34Å; Y203-I219 HydrophobicContact CD1-CG2 3.54Å; Y203-I219 HydrophobicContact CE1-CD1 3.94Å; Y203-I219 HydrophobicContact CE1-CG2 3.83Å; Y203-I219 HydrophobicContact CG-CG2 4.05Å; Y203-T223 HydrophobicContact CD2-CG2 4.02Å; Y203-T223 WeakPolarHBondContact CD2-O 3.37Å; Y203-T223 HydrophobicContact CE2-CG2 3.94Å; Y203-T223 PolarHBondContact N-O 2.82Å; Y203-C224 VanDerWaalsContact CE2-O 3.26Å; Y203-C224 WeakPolarHBondContact CE2-O 3.2Å; Y203-L274 HydrophobicContact CD1-CB 4.47Å; Y203-L274 HydrophobicContact CE1-CB 3.78Å; Y203-L274 WeakPolarHBondContact CE1-O 3.43Å; Y203-L274 HydrophobicContact CE2-CB 4.39Å; Y203-L274 HydrophobicContact CE2-CD2 4.1Å; Y203-L274 PolarHBondContact OH-O 2.9Å; Y203-H278 AromaticContact CZ-CD2 3.77Å
204	M	90.9	Very high	80.9	Confident	97 Å²	97	51 Å²	51	48%	0.478	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-55.1	-32.7	172.1	-174.1	62.6	90.1	0	0	113.1	T202 Y206 Y209 P221	T202-M204 PolarHBondContact O-N 3.38Å; M204-Y206 VanDerWaalsContact C-N 3.29Å; M204-Y206 PolarHBondContact O-N 3.24Å; M204-Y209 HydrophobicContact SD-CD2 3.89Å; M204-P221 HydrophobicContact CB-CB 4.08Å; M204-P221 WeakPolarHBondContact CB-O 3.32Å; M204-P221 HydrophobicContact CE-CB 3.42Å; M204-P221 VanDerWaalsContact CE-CB 3.42Å; M204-P221 HydrophobicContact CE-CG 4.09Å; M204-P221 PolarHBondContact N-O 3.1Å; M204-P221 HydrophobicContact SD-CB 4.17Å
205	G	89.3	Confident	83.1	Confident	8 Å²	8	52.6 Å²	52.6	8%	0.082	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-74.2	-15.2	178.7	0	0	0	0	0	114.4	T202 Y203 G266	T202-G205 PolarHBondContact O-N 3.05Å; Y203-G205 PolarHBondContact O-N 3.48Å; G205-G266 PolarHBondContact O-N 3.43Å; G205-G266 VanDerWaalsContact O-N 3.12Å
206	Y	92.1	Very high	85.2	Confident	10 Å²	10	55.7 Å²	55.7	4%	0.039	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-24.7	-171.3	-64.7	-87.5	0	0	0	114	N201 T202 Y203 M204 S225 Y260 S261 G265 T270 S271 L274	N201-Y206 HydrophobicContact CB-CE2 4.02Å; T202-Y206 WeakPolarHBondContact O-CD2 3.46Å; Y203-Y206 PolarHBondContact O-N 3.35Å; M204-Y206 VanDerWaalsContact C-N 3.29Å; M204-Y206 PolarHBondContact O-N 3.24Å; Y206-S225 WeakPolarHBondContact CE2-OG 3.33Å; Y206-Y260 WeakPolarHBondContact O-CA 3.29Å; Y206-S261 PolarHBondContact O-N 3Å; Y206-G265 WeakPolarHBondContact CE1-O 3.49Å; Y206-T270 HydrophobicContact CD1-CG2 3.88Å; Y206-T270 HydrophobicContact CE1-CG2 3.58Å; Y206-S271 PolarHBondContact O-OG 3.21Å; Y206-L274 HydrophobicContact CD1-CD1 3.98Å; Y206-L274 HydrophobicContact CD2-CD1 3.52Å; Y206-L274 HydrophobicContact CE2-CD1 4.13Å; Y206-L274 HydrophobicContact CG-CD1 3.44Å; Y206-L274 VanDerWaalsContact CG-CD1 3.44Å
207	L	93.8	Very high	87.5	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.01	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-122.1	140.5	-173.8	-53.5	-179.5	0	0	0	111.4	Y203 Y209 I214 Y260 I275	Y203-L207 HydrophobicContact CD1-CD1 3.72Å; Y203-L207 HydrophobicContact CE1-CD1 4.45Å; Y203-L207 PolarHBondContact O-N 2.79Å; L207-Y209 HydrophobicContact CB-CD2 4.44Å; L207-Y209 HydrophobicContact CB-CE2 4.06Å; L207-Y209 WeakPolarHBondContact O-CD2 3.43Å; L207-Y209 PolarHBondContact O-N 2.82Å; L207-I214 HydrophobicContact CB-CD1 4.23Å; L207-I214 HydrophobicContact CB-CG1 4.37Å; L207-I214 HydrophobicContact CB-CG2 3.84Å; L207-I214 HydrophobicContact CD1-CD1 4.37Å; L207-I214 HydrophobicContact CD1-CG2 4.28Å; L207-I214 HydrophobicContact CD2-CD1 4.17Å; L207-I214 HydrophobicContact CG-CD1 4.5Å; L207-Y260 HydrophobicContact CD2-CD1 4.02Å; L207-Y260 HydrophobicContact CD2-CE1 4.36Å; L207-I275 HydrophobicContact CD1-CD1 4.44Å; L207-I275 HydrophobicContact CD1-CG1 4.02Å; L207-I275 HydrophobicContact CD2-CD1 3.7Å; L207-I275 HydrophobicContact CD2-CG1 3.99Å
208	D	93	Very high	89.6	Confident	14 Å²	14	54.7 Å²	54.7	8%	0.075	28%	0.279	C	S	.	.			trans	-85.6	93.8	175.6	-173.2	-7.6	0	0	0	110.8	R210 K211 L259	D208-R210 PolarHBondContact O-N 3.19Å; D208-R210 WeakPolarHBondContact OD1-CB 3.45Å; D208-R210 WeakPolarHBondContact OD1-CG 3.41Å; D208-R210 IonicContact OD1-CZ 3.44Å; D208-R210 PolarHBondContact OD1-N 2.82Å; D208-R210 IonicContact OD1-NE 3.12Å; D208-R210 PolarHBondContact OD1-NE 3.28Å; D208-R210 IonicContact OD1-NH2 3.07Å; D208-R210 IonicContact OD2-CZ 3.57Å; D208-R210 IonicContact OD2-NE 3.68Å; D208-R210 PolarHBondContact OD2-NE 3.38Å; D208-R210 IonicContact OD2-NH2 3.12Å; D208-R210 PolarHBondContact OD2-NH2 3.4Å; D208-K211 HydrophobicContact CB-CG 3.83Å; D208-K211 VanDerWaalsContact O-CB 3.3Å; D208-K211 WeakPolarHBondContact O-CB 3.41Å; D208-K211 WeakPolarHBondContact O-CG 3.32Å; D208-K211 PolarHBondContact O-N 3.34Å; D208-K211 VanDerWaalsContact OD2-CE 3.31Å; D208-K211 WeakPolarHBondContact OD2-CE 3.48Å; D208-L259 WeakPolarHBondContact CB-O 3.42Å; D208-L259 PolarHBondContact N-O 2.89Å
209	Y	94.1	Very high	91.7	Very high	39 Å²	39	54.1 Å²	54.1	15%	0.153	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-5.6	178.9	-79.8	-89.4	0	0	0	114.8	Y203 M204 L207 K211 I214 K215 I219 S220 P221	Y203-Y209 WeakPolarHBondContact CB-OH 3.43Å; M204-Y209 HydrophobicContact SD-CD2 3.89Å; L207-Y209 HydrophobicContact CB-CD2 4.44Å; L207-Y209 HydrophobicContact CB-CE2 4.06Å; L207-Y209 WeakPolarHBondContact O-CD2 3.43Å; L207-Y209 PolarHBondContact O-N 2.82Å; Y209-K211 VanDerWaalsContact C-N 3.27Å; Y209-I214 HydrophobicContact CD1-CG2 3.91Å; Y209-I214 HydrophobicContact CD2-CG2 4.3Å; Y209-I214 HydrophobicContact CE1-CG2 3.98Å; Y209-I214 HydrophobicContact CE2-CG2 4.37Å; Y209-I214 HydrophobicContact CG-CG2 4.07Å; Y209-K215 WeakPolarHBondContact O-CD 3.31Å; Y209-K215 VanDerWaalsContact O-CE 3.31Å; Y209-K215 WeakPolarHBondContact O-CE 3.23Å; Y209-K215 WeakPolarHBondContact O-CG 3.44Å; Y209-I219 VanDerWaalsContact CE1-O 3.31Å; Y209-I219 WeakPolarHBondContact CE1-O 3.39Å; Y209-I219 PolarHBondContact OH-O 3.03Å; Y209-S220 PolarHBondContact OH-O 2.97Å; Y209-P221 HydrophobicContact CD1-CB 4.35Å; Y209-P221 HydrophobicContact CD2-CB 4.03Å; Y209-P221 HydrophobicContact CE1-CB 4.1Å; Y209-P221 HydrophobicContact CE1-CG 4.49Å; Y209-P221 HydrophobicContact CE2-CB 3.76Å; Y209-P221 HydrophobicContact CG-CB 4.32Å; Y209-P221 VanDerWaalsContact CZ-CA 3.45Å; Y209-P221 WeakPolarHBondContact OH-CA 3.3Å
210	R	94.1	Very high	93.3	Very high	197 Å²	197	55 Å²	55	74%	0.743	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-27.2	169.7	-57.5	170.3	-65	-175.3	3.1	110.9	D208 K215	D208-R210 PolarHBondContact O-N 3.19Å; D208-R210 WeakPolarHBondContact OD1-CB 3.45Å; D208-R210 WeakPolarHBondContact OD1-CG 3.41Å; D208-R210 IonicContact OD1-CZ 3.44Å; D208-R210 PolarHBondContact OD1-N 2.82Å; D208-R210 IonicContact OD1-NE 3.12Å; D208-R210 PolarHBondContact OD1-NE 3.28Å; D208-R210 IonicContact OD1-NH2 3.07Å; D208-R210 IonicContact OD2-CZ 3.57Å; D208-R210 IonicContact OD2-NE 3.68Å; D208-R210 PolarHBondContact OD2-NE 3.38Å; D208-R210 IonicContact OD2-NH2 3.12Å; D208-R210 PolarHBondContact OD2-NH2 3.4Å; R210-K215 VanDerWaalsContact O-CE 3.28Å; R210-K215 WeakPolarHBondContact O-CE 3.39Å; R210-K215 PolarHBondContact O-NZ 2.96Å
211	K	95.4	Very high	94.3	Very high	60 Å²	60	51.2 Å²	51.2	26%	0.261	27%	0.265	S	S	.	.	S	Bend	trans	-75.5	133.3	-177.1	-54.5	-69.2	175.7	151.4	0	111.2	D208 Y209 A213 I214 K215 E257 N258 L259	D208-K211 HydrophobicContact CB-CG 3.83Å; D208-K211 VanDerWaalsContact O-CB 3.3Å; D208-K211 WeakPolarHBondContact O-CB 3.41Å; D208-K211 WeakPolarHBondContact O-CG 3.32Å; D208-K211 PolarHBondContact O-N 3.34Å; D208-K211 VanDerWaalsContact OD2-CE 3.31Å; D208-K211 WeakPolarHBondContact OD2-CE 3.48Å; Y209-K211 VanDerWaalsContact C-N 3.27Å; K211-A213 VanDerWaalsContact C-N 3.31Å; K211-A213 PolarHBondContact O-N 2.69Å; K211-I214 HydrophobicContact CB-CB 4.47Å; K211-I214 HydrophobicContact CB-CG1 4.2Å; K211-I214 PolarHBondContact O-N 2.97Å; K211-K215 WeakPolarHBondContact O-CE 3.42Å; K211-K215 PolarHBondContact O-N 2.61Å; K211-K215 VanDerWaalsContact O-N 3.14Å; K211-E257 PolarHBondContact NZ-O 3.2Å; K211-N258 WeakPolarHBondContact CE-O 3.25Å; K211-N258 PolarHBondContact NZ-O 3.28Å; K211-L259 HydrophobicContact CB-CD2 3.78Å; K211-L259 HydrophobicContact CG-CD2 3.98Å
212	K	96.8	Very high	94.6	Very high	141 Å²	141	55.1 Å²	55.1	61%	0.613	29%	0.293	S	S	*	.	H	α-helix	trans	-58.8	-43.9	179	-169.1	-169.5	-179.1	-52.6	0	111.4	I214 K215 D216	K212-I214 PolarHBondContact O-N 3.06Å; K212-K215 PolarHBondContact O-N 3.33Å; K212-K215 VanDerWaalsContact O-N 3.1Å; K212-D216 IonicContact NZ-OD1 2.76Å; K212-D216 PolarHBondContact NZ-OD1 3.03Å; K212-D216 IonicContact NZ-OD2 3.88Å; K212-D216 PolarHBondContact NZ-OD2 3.28Å; K212-D216 WeakPolarHBondContact O-CB 3.43Å; K212-D216 PolarHBondContact O-N 3.01Å
213	A	97.2	Very high	94.8	Very high	5 Å²	5	55.5 Å²	55.5	4%	0.041	30%	0.295	C	S	.	.	H	α-helix	trans	-56.1	-32.3	177.7	0	0	0	0	0	114.8	K211 K253 E257 L259	K211-A213 VanDerWaalsContact C-N 3.31Å; K211-A213 PolarHBondContact O-N 2.69Å; A213-K253 HydrophobicContact CB-CD 4.46Å; A213-K253 VanDerWaalsContact CB-CE 3.41Å; A213-E257 WeakPolarHBondContact CB-OE2 3.4Å; A213-L259 HydrophobicContact CB-CD1 4.2Å; A213-L259 HydrophobicContact CB-CD2 3.81Å
214	I	97.1	Very high	94.8	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-79.4	-43.8	175.5	-63.8	-53.4	0	0	0	110.5	L207 Y209 K211 K212 D216 L217 W250 L259 I275	L207-I214 HydrophobicContact CB-CD1 4.23Å; L207-I214 HydrophobicContact CB-CG1 4.37Å; L207-I214 HydrophobicContact CB-CG2 3.84Å; L207-I214 HydrophobicContact CD1-CD1 4.37Å; L207-I214 HydrophobicContact CD1-CG2 4.28Å; L207-I214 HydrophobicContact CD2-CD1 4.17Å; L207-I214 HydrophobicContact CG-CD1 4.5Å; Y209-I214 HydrophobicContact CD1-CG2 3.91Å; Y209-I214 HydrophobicContact CD2-CG2 4.3Å; Y209-I214 HydrophobicContact CE1-CG2 3.98Å; Y209-I214 HydrophobicContact CE2-CG2 4.37Å; Y209-I214 HydrophobicContact CG-CG2 4.07Å; K211-I214 HydrophobicContact CB-CB 4.47Å; K211-I214 HydrophobicContact CB-CG1 4.2Å; K211-I214 PolarHBondContact O-N 2.97Å; K212-I214 PolarHBondContact O-N 3.06Å; I214-D216 VanDerWaalsContact C-N 3.29Å; I214-D216 PolarHBondContact O-N 3.26Å; I214-L217 HydrophobicContact CD1-CD1 4.1Å; I214-L217 VanDerWaalsContact O-CB 3.25Å; I214-L217 WeakPolarHBondContact O-CB 3.39Å; I214-L217 PolarHBondContact O-N 2.89Å; I214-L217 VanDerWaalsContact O-N 3.1Å; I214-W250 HydrophobicContact CD1-CZ3 4.47Å; I214-L259 HydrophobicContact CD1-CB 4.11Å; I214-L259 HydrophobicContact CD1-CD1 4.41Å; I214-L259 HydrophobicContact CG1-CB 4.32Å; I214-L259 HydrophobicContact CG1-CD2 4.34Å; I214-I275 HydrophobicContact CD1-CD1 4.4Å
215	K	96.9	Very high	94.9	Very high	120 Å²	120	52.2 Å²	52.2	52%	0.522	28%	0.282	S	S	.	.	H	α-helix	trans	-58.9	-39.9	176	-77	177.4	-81.8	-169.7	0	112.7	Y209 R210 K211 K212 L217 G218	Y209-K215 WeakPolarHBondContact O-CD 3.31Å; Y209-K215 VanDerWaalsContact O-CE 3.31Å; Y209-K215 WeakPolarHBondContact O-CE 3.23Å; Y209-K215 WeakPolarHBondContact O-CG 3.44Å; R210-K215 VanDerWaalsContact O-CE 3.28Å; R210-K215 WeakPolarHBondContact O-CE 3.39Å; R210-K215 PolarHBondContact O-NZ 2.96Å; K211-K215 WeakPolarHBondContact O-CE 3.42Å; K211-K215 PolarHBondContact O-N 2.61Å; K211-K215 VanDerWaalsContact O-N 3.14Å; K212-K215 PolarHBondContact O-N 3.33Å; K212-K215 VanDerWaalsContact O-N 3.1Å; K215-L217 PolarHBondContact O-N 2.8Å; K215-L217 VanDerWaalsContact O-N 3.15Å; K215-G218 PolarHBondContact O-N 3.39Å; K215-G218 VanDerWaalsContact O-N 3.1Å
216	D	97.8	Very high	95.1	Very high	104 Å²	104	51.8 Å²	51.8	56%	0.556	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-14.4	179.1	-66.5	-16.2	0	0	0	113.1	K212 I214 G218	K212-D216 IonicContact NZ-OD1 2.76Å; K212-D216 PolarHBondContact NZ-OD1 3.03Å; K212-D216 IonicContact NZ-OD2 3.88Å; K212-D216 PolarHBondContact NZ-OD2 3.28Å; K212-D216 WeakPolarHBondContact O-CB 3.43Å; K212-D216 PolarHBondContact O-N 3.01Å; I214-D216 VanDerWaalsContact C-N 3.29Å; I214-D216 PolarHBondContact O-N 3.26Å; D216-G218 VanDerWaalsContact C-N 3.25Å; D216-G218 PolarHBondContact O-N 3.06Å
217	L	97.4	Very high	95.2	Very high	53 Å²	53	52.1 Å²	52.1	28%	0.277	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-22.5	173.3	-67.6	173.6	0	0	0	112.9	I214 K215 I219 W250 I275	I214-L217 HydrophobicContact CD1-CD1 4.1Å; I214-L217 VanDerWaalsContact O-CB 3.25Å; I214-L217 WeakPolarHBondContact O-CB 3.39Å; I214-L217 PolarHBondContact O-N 2.89Å; I214-L217 VanDerWaalsContact O-N 3.1Å; K215-L217 PolarHBondContact O-N 2.8Å; K215-L217 VanDerWaalsContact O-N 3.15Å; L217-I219 HydrophobicContact CB-CD1 4.03Å; L217-I219 HydrophobicContact CB-CG1 3.99Å; L217-I219 HydrophobicContact CD1-CD1 4.19Å; L217-I219 PolarHBondContact O-N 3.16Å; L217-W250 HydrophobicContact CD1-CH2 3.98Å; L217-W250 HydrophobicContact CD1-CZ2 4.48Å; L217-W250 HydrophobicContact CD2-CH2 3.59Å; L217-W250 HydrophobicContact CD2-CZ2 3.58Å; L217-W250 HydrophobicContact CG-CH2 4.03Å; L217-W250 HydrophobicContact CG-CZ2 4.47Å; L217-I275 HydrophobicContact CD1-CD1 4.3Å; L217-I275 HydrophobicContact CD1-CG1 3.98Å; L217-I275 HydrophobicContact CD1-CG2 3.91Å; L217-I275 HydrophobicContact CD2-CG2 4.01Å
218	G	97.4	Very high	95.2	Very high	71 Å²	71	52.2 Å²	52.2	73%	0.732	28%	0.281	S	S	*	.			trans	66.6	14.7	-176.7	0	0	0	0	0	114.6	K215 D216	K215-G218 PolarHBondContact O-N 3.39Å; K215-G218 VanDerWaalsContact O-N 3.1Å; D216-G218 VanDerWaalsContact C-N 3.25Å; D216-G218 PolarHBondContact O-N 3.06Å
219	I	97.1	Very high	95.3	Very high	16 Å²	16	51.5 Å²	51.5	8%	0.082	28%	0.277	C	S	.	.			trans	-82.8	134.3	177.6	-58	171.8	0	0	0	108.8	Y203 Y209 L217 T223 H278	Y203-I219 HydrophobicContact CD1-CD1 4.34Å; Y203-I219 HydrophobicContact CD1-CG2 3.54Å; Y203-I219 HydrophobicContact CE1-CD1 3.94Å; Y203-I219 HydrophobicContact CE1-CG2 3.83Å; Y203-I219 HydrophobicContact CG-CG2 4.05Å; Y209-I219 VanDerWaalsContact CE1-O 3.31Å; Y209-I219 WeakPolarHBondContact CE1-O 3.39Å; Y209-I219 PolarHBondContact OH-O 3.03Å; L217-I219 HydrophobicContact CB-CD1 4.03Å; L217-I219 HydrophobicContact CB-CG1 3.99Å; L217-I219 HydrophobicContact CD1-CD1 4.19Å; L217-I219 PolarHBondContact O-N 3.16Å; I219-T223 HydrophobicContact CG2-CG2 4.45Å; I219-H278 HydrophobicContact CD1-CB 3.9Å
220	S	96.3	Very high	95.5	Very high	53 Å²	53	49.7 Å²	49.7	37%	0.371	27%	0.27	S	S	.	.			trans	-69.8	137.9	176.6	178.5	0	0	0	0	110.6	Y209 S222 T223	Y209-S220 PolarHBondContact OH-O 2.97Å; S220-S222 PolarHBondContact O-N 3.31Å; S220-S222 PolarHBondContact OG-N 3.49Å; S220-S222 PolarHBondContact OG-OG 3.09Å; S220-T223 WeakPolarHBondContact CB-OG1 3.31Å; S220-T223 PolarHBondContact N-OG1 2.8Å; S220-T223 VanDerWaalsContact O-CB 3.25Å; S220-T223 WeakPolarHBondContact O-CB 3.45Å; S220-T223 PolarHBondContact O-N 3.28Å; S220-T223 PolarHBondContact O-OG1 2.74Å
221	P	93.4	Very high	95.8	Very high	45 Å²	45	40.3 Å²	40.3	29%	0.292	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.5	172.4	23.2	-32.9	0	0	0	113.7	T202 M204 Y209 T223	T202-P221 WeakPolarHBondContact CB-O 3.25Å; T202-P221 PolarHBondContact OG1-O 3.06Å; M204-P221 HydrophobicContact CB-CB 4.08Å; M204-P221 WeakPolarHBondContact CB-O 3.32Å; M204-P221 HydrophobicContact CE-CB 3.42Å; M204-P221 VanDerWaalsContact CE-CB 3.42Å; M204-P221 HydrophobicContact CE-CG 4.09Å; M204-P221 PolarHBondContact N-O 3.1Å; M204-P221 HydrophobicContact SD-CB 4.17Å; Y209-P221 HydrophobicContact CD1-CB 4.35Å; Y209-P221 HydrophobicContact CD2-CB 4.03Å; Y209-P221 HydrophobicContact CE1-CB 4.1Å; Y209-P221 HydrophobicContact CE1-CG 4.49Å; Y209-P221 HydrophobicContact CE2-CB 3.76Å; Y209-P221 HydrophobicContact CG-CB 4.32Å; Y209-P221 VanDerWaalsContact CZ-CA 3.45Å; Y209-P221 WeakPolarHBondContact OH-CA 3.3Å; P221-T223 VanDerWaalsContact C-N 3.29Å
222	S	92.7	Very high	95.9	Very high	89 Å²	89	37.4 Å²	37.4	62%	0.622	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-2.1	177.5	63	0	0	0	0	114.1	S220 C224	S220-S222 PolarHBondContact O-N 3.31Å; S220-S222 PolarHBondContact OG-N 3.49Å; S220-S222 PolarHBondContact OG-OG 3.09Å; S222-C224 PolarHBondContact O-N 2.84Å
223	T	94.3	Very high	96	Very high	38 Å²	38	30.7 Å²	30.7	23%	0.233	19%	0.193	C	C	.	.	S	Bend	trans	-59.6	133.2	179.1	-52.1	0	0	0	0	109.5	T202 Y203 I219 S220 P221 S225	T202-T223 CarbonylContact C-O 3.59Å; T202-T223 WeakPolarHBondContact CA-O 3.37Å; T202-T223 VanDerWaalsContact CB-O 3.31Å; T202-T223 WeakPolarHBondContact CB-O 3.45Å; Y203-T223 HydrophobicContact CD2-CG2 4.02Å; Y203-T223 WeakPolarHBondContact CD2-O 3.37Å; Y203-T223 HydrophobicContact CE2-CG2 3.94Å; Y203-T223 PolarHBondContact N-O 2.82Å; I219-T223 HydrophobicContact CG2-CG2 4.45Å; S220-T223 WeakPolarHBondContact CB-OG1 3.31Å; S220-T223 PolarHBondContact N-OG1 2.8Å; S220-T223 VanDerWaalsContact O-CB 3.25Å; S220-T223 WeakPolarHBondContact O-CB 3.45Å; S220-T223 PolarHBondContact O-N 3.28Å; S220-T223 PolarHBondContact O-OG1 2.74Å; P221-T223 VanDerWaalsContact C-N 3.29Å; T223-S225 PolarHBondContact O-N 2.75Å
224	C	92.8	Very high	96.1	Very high	30 Å²	30	32.8 Å²	32.8	20%	0.203	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-57	133	174.2	-172.1	0	0	0	0	110.3	C185 Y203 S222	C185-C224 HydrophobicContact CB-CB 3.85Å; C185-C224 WeakPolarHBondContact CB-SG 3.43Å; C185-C224 WeakPolarHBondContact SG-CB 3.37Å; C185-C224 CovalentContact SG-SG 2.01Å; C185-C224 PolarHBondContact SG-SG 3.24Å; Y203-C224 VanDerWaalsContact CE2-O 3.26Å; Y203-C224 WeakPolarHBondContact CE2-O 3.2Å; S222-C224 PolarHBondContact O-N 2.84Å
225	S	92.9	Very high	96.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-89.2	167.7	171.5	75	0	0	0	0	110.9	D183 D184 N201 Y206 T223	D183-S225 CarbonylContact C-O 3.57Å; D184-S225 PolarHBondContact N-O 2.76Å; N201-S225 WeakPolarHBondContact CB-OG 3.02Å; N201-S225 VanDerWaalsContact O-CB 3.23Å; N201-S225 WeakPolarHBondContact O-CB 3.3Å; N201-S225 PolarHBondContact O-N 3.17Å; N201-S225 PolarHBondContact O-OG 2.01Å; Y206-S225 WeakPolarHBondContact CE2-OG 3.33Å; T223-S225 PolarHBondContact O-N 2.75Å
226	F	94.4	Very high	96.2	Very high	0 Å²	0	30 Å²	30	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	158.9	169.4	63.6	-107.2	0	0	0	110.5	F181 S182 P228 M273 L274 F277 Y281	F181-F226 HydrophobicContact CB-CB 3.75Å; F181-F226 HydrophobicContact CB-CD2 3.66Å; F181-F226 HydrophobicContact CB-CE2 4.42Å; F181-F226 HydrophobicContact CB-CG 3.75Å; F181-F226 AromaticContact CD1-CD2 3.75Å; F181-F226 HydrophobicContact CD1-CD2 3.75Å; F181-F226 AromaticContact CD1-CE2 3.8Å; F181-F226 HydrophobicContact CD1-CE2 3.8Å; F181-F226 HydrophobicContact CD2-CD1 4.22Å; F181-F226 AromaticContact CD2-CD2 3.84Å; F181-F226 HydrophobicContact CD2-CD2 3.84Å; F181-F226 HydrophobicContact CD2-CE1 4.14Å; F181-F226 AromaticContact CD2-CE2 3.78Å; F181-F226 HydrophobicContact CD2-CE2 3.78Å; F181-F226 HydrophobicContact CD2-CG 4.07Å; F181-F226 AromaticContact CD2-CZ 3.93Å; F181-F226 HydrophobicContact CD2-CZ 3.93Å; F181-F226 HydrophobicContact CE1-CD2 4.34Å; F181-F226 AromaticContact CE1-CE2 3.91Å; F181-F226 HydrophobicContact CE1-CE2 3.91Å; F181-F226 HydrophobicContact CE2-CD2 4.44Å; F181-F226 HydrophobicContact CE2-CE1 4.38Å; F181-F226 AromaticContact CE2-CE2 3.93Å; F181-F226 HydrophobicContact CE2-CE2 3.93Å; F181-F226 AromaticContact CE2-CZ 3.89Å; F181-F226 HydrophobicContact CE2-CZ 3.89Å; F181-F226 HydrophobicContact CG-CB 4.45Å; F181-F226 AromaticContact CG-CD2 3.46Å; F181-F226 HydrophobicContact CG-CD2 3.46Å; F181-F226 VanDerWaalsContact CG-CD2 3.46Å; F181-F226 AromaticContact CG-CE2 3.73Å; F181-F226 HydrophobicContact CG-CE2 3.73Å; F181-F226 AromaticContact CG-CG 3.91Å; F181-F226 HydrophobicContact CG-CG 3.91Å; F181-F226 HydrophobicContact CG-CZ 4.36Å; F181-F226 AromaticContact CZ-CE2 3.99Å; F181-F226 HydrophobicContact CZ-CE2 3.99Å; F181-F226 HydrophobicContact CZ-CZ 4.24Å; S182-F226 CarbonylContact O-C 3.43Å; S182-F226 VanDerWaalsContact O-CA 3.24Å; S182-F226 WeakPolarHBondContact O-CA 3.26Å; S182-F226 VanDerWaalsContact O-CB 3.26Å; S182-F226 WeakPolarHBondContact O-CB 2.94Å; F226-P228 HydrophobicContact CE2-CB 4.39Å; F226-M273 HydrophobicContact CE2-CB 4.15Å; F226-M273 HydrophobicContact CZ-CB 4.08Å; F226-L274 HydrophobicContact CD1-CD2 3.72Å; F226-L274 HydrophobicContact CD2-CD2 4.19Å; F226-L274 HydrophobicContact CE1-CD2 3.73Å; F226-L274 HydrophobicContact CE2-CD2 4.18Å; F226-L274 HydrophobicContact CG-CD2 3.95Å; F226-L274 HydrophobicContact CZ-CD2 3.96Å; F226-F277 HydrophobicContact CE1-CB 3.84Å; F226-F277 HydrophobicContact CZ-CB 3.82Å; F226-F277 HydrophobicContact CZ-CD2 4.43Å; F226-F277 HydrophobicContact CZ-CG 4.45Å; F226-Y281 HydrophobicContact CB-CE2 4.27Å; F226-Y281 HydrophobicContact CD1-CD1 4.24Å; F226-Y281 AromaticContact CD1-CE1 3.85Å; F226-Y281 HydrophobicContact CD1-CE1 3.85Å; F226-Y281 HydrophobicContact CD1-CE2 4.15Å; F226-Y281 AromaticContact CD1-CZ 3.8Å; F226-Y281 HydrophobicContact CE1-CD1 4.31Å; F226-Y281 HydrophobicContact CE1-CE1 4.25Å; F226-Y281 HydrophobicContact CG-CE2 4.49Å
227	N	93.5	Very high	96.2	Very high	16 Å²	16	27.1 Å²	27.1	9%	0.086	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	122.9	176.5	-170.1	-71	0	0	0	111.1	S182 D184 G229 H289	S182-N227 PolarHBondContact O-N 3.27Å; D184-N227 HydrophobicContact CB-CB 4.06Å; N227-G229 VanDerWaalsContact C-N 3.29Å; N227-G229 PolarHBondContact O-N 2.91Å; N227-G229 WeakPolarHBondContact OD1-CA 3.41Å; N227-G229 PolarHBondContact OD1-N 3.26Å; N227-H289 PolarHBondContact OD1-CE1 3.15Å; N227-H289 VanDerWaalsContact OD1-CE1 3.28Å
228	P	95	Very high	96.3	Very high	4 Å²	4	24.6 Å²	24.6	3%	0.026	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	15.5	-177.4	36.9	-37.4	0	0	0	114.1	F181 F226 V230 I231 T270 M273	F181-P228 HydrophobicContact CE1-CB 4.48Å; F226-P228 HydrophobicContact CE2-CB 4.39Å; P228-V230 VanDerWaalsContact C-N 3.31Å; P228-I231 WeakPolarHBondContact O-CD1 3.49Å; P228-I231 WeakPolarHBondContact O-CG1 3.16Å; P228-T270 HydrophobicContact CG-CG2 4.05Å; P228-M273 HydrophobicContact CB-CE 3.73Å; P228-M273 HydrophobicContact CB-SD 3.5Å; P228-M273 VanDerWaalsContact CB-SD 3.5Å; P228-M273 HydrophobicContact CG-SD 4.19Å
229	G	95.6	Very high	96.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-9.9	177.1	0	0	0	0	0	114.2	L155 D156 N227	L155-G229 CarbonylContact C-O 3.46Å; L155-G229 WeakPolarHBondContact CA-O 3.28Å; D156-G229 PolarHBondContact N-O 3.01Å; D156-G229 VanDerWaalsContact OD2-CA 3.24Å; D156-G229 WeakPolarHBondContact OD2-CA 3.12Å; N227-G229 VanDerWaalsContact C-N 3.29Å; N227-G229 PolarHBondContact O-N 2.91Å; N227-G229 WeakPolarHBondContact OD1-CA 3.41Å; N227-G229 PolarHBondContact OD1-N 3.26Å
230	V	98.2	Very high	96.4	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	121.9	168.9	179.8	0	0	0	0	106.8	Y154 L155 L168 P228 I284 H289 L311	Y154-V230 WeakPolarHBondContact O-CA 3.38Å; L155-V230 HydrophobicContact CD2-CB 4.24Å; L155-V230 HydrophobicContact CD2-CG1 3.85Å; L155-V230 HydrophobicContact CD2-CG2 3.89Å; L168-V230 HydrophobicContact CD1-CG1 4.38Å; L168-V230 HydrophobicContact CD2-CG1 3.93Å; P228-V230 VanDerWaalsContact C-N 3.31Å; V230-I284 HydrophobicContact CB-CD1 4.49Å; V230-I284 HydrophobicContact CG1-CD1 3.86Å; V230-H289 VanDerWaalsContact CG2-CD2 3.49Å; V230-H289 WeakPolarHBondContact CG2-CD2 3.12Å; V230-H289 VanDerWaalsContact CG2-NE2 3.34Å; V230-H289 WeakPolarHBondContact CG2-NE2 3.29Å; V230-L311 HydrophobicContact CG1-CD1 4.47Å; V230-L311 HydrophobicContact CG2-CD1 3.74Å; V230-L311 HydrophobicContact CG2-CD2 3.95Å
231	I	98.7	Very high	96.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	129.3	-177	-43.5	176.2	0	0	0	109	R139 I153 Y154 A179 F181 P228 A233 M273	R139-I231 HydrophobicContact CB-CD1 3.94Å; I153-I231 CarbonylContact C-O 3.57Å; I153-I231 WeakPolarHBondContact CA-O 3.2Å; Y154-I231 HydrophobicContact CD1-CD1 3.78Å; Y154-I231 HydrophobicContact CD1-CG1 4.01Å; Y154-I231 HydrophobicContact CG-CD1 4.3Å; Y154-I231 PolarHBondContact N-O 3.3Å; Y154-I231 PolarHBondContact O-N 3.36Å; A179-I231 HydrophobicContact CB-CG2 3.96Å; F181-I231 HydrophobicContact CD1-CB 4.48Å; F181-I231 HydrophobicContact CD1-CG1 4.02Å; F181-I231 HydrophobicContact CD1-CG2 4.21Å; F181-I231 HydrophobicContact CE1-CB 4.16Å; F181-I231 HydrophobicContact CE1-CD1 3.92Å; F181-I231 HydrophobicContact CE1-CG1 3.67Å; F181-I231 HydrophobicContact CE1-CG2 3.61Å; F181-I231 HydrophobicContact CZ-CG2 4.13Å; P228-I231 WeakPolarHBondContact O-CD1 3.49Å; P228-I231 WeakPolarHBondContact O-CG1 3.16Å; I231-A233 HydrophobicContact CG2-CB 4.05Å; I231-M273 HydrophobicContact CD1-CE 3.83Å
232	V	98.8	Very high	96.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	108.5	160.9	-176.7	0	0	0	0	106.9	K151 I153 L168 A179 A180 I284	K151-V232 HydrophobicContact CD-CG1 4.09Å; K151-V232 HydrophobicContact CG-CG1 4.17Å; I153-V232 HydrophobicContact CG1-CG2 4.48Å; L168-V232 HydrophobicContact CD1-CG2 3.82Å; L168-V232 HydrophobicContact CG-CG2 3.98Å; L168-V232 WeakPolarHBondContact O-CG2 3.34Å; A179-V232 CarbonylContact C-O 3.47Å; A179-V232 WeakPolarHBondContact CA-O 3.28Å; A180-V232 HydrophobicContact CB-CB 4.3Å; A180-V232 PolarHBondContact N-O 2.93Å; A180-V232 PolarHBondContact O-N 3.07Å; V232-I284 HydrophobicContact CG2-CD1 4.25Å
233	A	98.8	Very high	97	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	124.9	-170.7	0	0	0	0	0	111.6	L142 K151 V152 A178 I231 M235 W238	L142-A233 HydrophobicContact CD1-CB 4.19Å; K151-A233 CarbonylContact C-O 3.43Å; K151-A233 WeakPolarHBondContact CA-O 3.43Å; V152-A233 HydrophobicContact CG2-CB 4.15Å; V152-A233 PolarHBondContact N-O 2.97Å; V152-A233 PolarHBondContact O-N 3.45Å; A178-A233 CarbonylContact O-C 3.57Å; A178-A233 WeakPolarHBondContact O-CA 3.46Å; I231-A233 HydrophobicContact CG2-CB 4.05Å; A233-M235 HydrophobicContact CB-SD 3.91Å; A233-M235 PolarHBondContact O-N 3.28Å; A233-W238 HydrophobicContact CB-CE3 4.1Å; A233-W238 HydrophobicContact CB-CZ3 4.11Å
234	N	98.6	Very high	97.2	Very high	48 Å²	48	32.5 Å²	32.5	26%	0.257	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	103.4	164.8	-176.1	-34.7	0	0	0	109	E150 L173 A178 T236 E237 W238	E150-N234 CarbonylContact O-C 3.59Å; E150-N234 WeakPolarHBondContact O-CA 3.39Å; E150-N234 PolarHBondContact O-OD1 2.86Å; L173-N234 HydrophobicContact CD1-CB 3.58Å; A178-N234 PolarHBondContact O-N 2.72Å; N234-T236 VanDerWaalsContact C-N 3.3Å; N234-T236 PolarHBondContact O-N 3.07Å; N234-T236 WeakPolarHBondContact OD1-CB 3.31Å; N234-T236 PolarHBondContact OD1-N 2.62Å; N234-E237 HydrophobicContact CB-CB 4.07Å; N234-E237 PolarHBondContact O-N 2.89Å; N234-E237 PolarHBondContact OD1-N 2.91Å; N234-W238 WeakPolarHBondContact O-CB 3.45Å; N234-W238 PolarHBondContact O-N 3.18Å
235	M	98.3	Very high	97.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65.9	-33.9	-176.8	-53.9	-48.3	-73.6	0	0	112.3	L142 P143 H149 E150 V152 A233 K239	L142-M235 HydrophobicContact CB-CE 3.46Å; L142-M235 VanDerWaalsContact CB-CE 3.46Å; L142-M235 HydrophobicContact CB-SD 4.21Å; L142-M235 WeakPolarHBondContact O-CE 3.33Å; P143-M235 HydrophobicContact CB-CE 3.61Å; P143-M235 HydrophobicContact CG-CE 3.47Å; P143-M235 VanDerWaalsContact CG-CE 3.47Å; P143-M235 HydrophobicContact CG-SD 4.46Å; H149-M235 VanDerWaalsContact O-CB 3.3Å; H149-M235 WeakPolarHBondContact O-CB 3.29Å; H149-M235 WeakPolarHBondContact O-CG 3.39Å; E150-M235 WeakPolarHBondContact O-CB 3.42Å; E150-M235 PolarHBondContact O-N 2.98Å; V152-M235 HydrophobicContact CB-SD 4.4Å; V152-M235 HydrophobicContact CG1-CG 3.82Å; V152-M235 HydrophobicContact CG1-SD 4.1Å; V152-M235 HydrophobicContact CG2-CE 4.35Å; V152-M235 HydrophobicContact CG2-CG 4.28Å; V152-M235 HydrophobicContact CG2-SD 3.52Å; V152-M235 VanDerWaalsContact CG2-SD 3.52Å; A233-M235 HydrophobicContact CB-SD 3.91Å; A233-M235 PolarHBondContact O-N 3.28Å; M235-K239 WeakPolarHBondContact O-CB 3.43Å; M235-K239 WeakPolarHBondContact O-CE 3.29Å; M235-K239 VanDerWaalsContact O-CG 3.28Å; M235-K239 WeakPolarHBondContact O-CG 3.01Å; M235-K239 PolarHBondContact O-N 2.83Å
236	T	97.8	Very high	97.8	Very high	63 Å²	63	41 Å²	41	39%	0.387	19%	0.188	S	C	.	.	H	α-helix	trans	-67.9	-50.5	178.2	-63.4	0	0	0	0	110.4	N234 W238 K239 H240	N234-T236 VanDerWaalsContact C-N 3.3Å; N234-T236 PolarHBondContact O-N 3.07Å; N234-T236 WeakPolarHBondContact OD1-CB 3.31Å; N234-T236 PolarHBondContact OD1-N 2.62Å; T236-W238 PolarHBondContact O-N 3.06Å; T236-K239 PolarHBondContact O-N 3.01Å; T236-H240 WeakPolarHBondContact O-CB 3.3Å; T236-H240 PolarHBondContact O-N 3.31Å
237	E	98.4	Very high	98	Very high	43 Å²	43	41 Å²	41	20%	0.201	19%	0.188	C	C	.	.	H	α-helix	trans	-65.8	-39.4	177.8	-169.3	58	-144.3	0	0	111.5	A178 N234 K239 H240 Q241	A178-E237 HydrophobicContact CB-CB 4.1Å; A178-E237 HydrophobicContact CB-CG 3.96Å; N234-E237 HydrophobicContact CB-CB 4.07Å; N234-E237 PolarHBondContact O-N 2.89Å; N234-E237 PolarHBondContact OD1-N 2.91Å; E237-K239 VanDerWaalsContact C-N 3.34Å; E237-K239 PolarHBondContact O-N 3.04Å; E237-H240 WeakPolarHBondContact O-CB 3.37Å; E237-H240 PolarHBondContact O-N 3.46Å; E237-H240 IonicContact OE1-CD2 3.9Å; E237-Q241 PolarHBondContact O-N 3.35Å; E237-Q241 WeakPolarHBondContact OE1-CG 3.49Å; E237-Q241 PolarHBondContact OE1-NE2 3.33Å
238	W	98.6	Very high	98.2	Very high	1 Å²	1	42.2 Å²	42.2	0%	0.004	19%	0.194	C	C	.	.	H	α-helix	trans	-59.4	-43.5	175.9	-166.8	-59.6	0	0	0	112.3	R139 P143 A178 A179 A233 N234 T236 R242 I243 T244 L247 F277	R139-W238 WeakPolarHBondContact O-CH2 3.49Å; P143-W238 HydrophobicContact CG-CB 4.01Å; P143-W238 HydrophobicContact CG-CD2 4.32Å; P143-W238 HydrophobicContact CG-CG 3.67Å; A178-W238 HydrophobicContact CB-CB 4.11Å; A179-W238 HydrophobicContact CB-CZ3 4.17Å; A233-W238 HydrophobicContact CB-CE3 4.1Å; A233-W238 HydrophobicContact CB-CZ3 4.11Å; N234-W238 WeakPolarHBondContact O-CB 3.45Å; N234-W238 PolarHBondContact O-N 3.18Å; T236-W238 PolarHBondContact O-N 3.06Å; W238-R242 PolarHBondContact O-N 3.18Å; W238-I243 HydrophobicContact CB-CD1 4.42Å; W238-I243 HydrophobicContact CD2-CB 4.12Å; W238-I243 HydrophobicContact CD2-CD1 4.24Å; W238-I243 HydrophobicContact CD2-CG2 3.92Å; W238-I243 HydrophobicContact CG-CB 3.92Å; W238-I243 HydrophobicContact CG-CD1 4.14Å; W238-I243 HydrophobicContact CG-CG1 4.49Å; W238-I243 HydrophobicContact CG-CG2 4.28Å; W238-I243 HydrophobicContact CH2-CG2 4.43Å; W238-I243 HydrophobicContact CZ2-CG2 3.66Å; W238-I243 PolarHBondContact O-N 3.18Å; W238-I243 VanDerWaalsContact O-N 3.12Å; W238-T244 PolarHBondContact NE1-OG1 3.25Å; W238-T244 VanDerWaalsContact NE1-OG1 3.11Å; W238-L247 HydrophobicContact CZ2-CD1 3.84Å; W238-F277 HydrophobicContact CD2-CZ 4.41Å; W238-F277 AromaticContact CE3-CZ 3.9Å; W238-F277 HydrophobicContact CE3-CZ 3.9Å; W238-F277 AromaticContact CH2-CE2 3.92Å; W238-F277 HydrophobicContact CH2-CE2 3.92Å; W238-F277 AromaticContact CH2-CZ 3.66Å; W238-F277 HydrophobicContact CH2-CZ 3.66Å; W238-F277 HydrophobicContact CZ2-CE2 4.38Å; W238-F277 HydrophobicContact CZ2-CZ 4.17Å; W238-F277 HydrophobicContact CZ3-CE1 4.43Å; W238-F277 HydrophobicContact CZ3-CE2 4.22Å; W238-F277 AromaticContact CZ3-CZ 3.52Å; W238-F277 HydrophobicContact CZ3-CZ 3.52Å
239	K	98.4	Very high	98.3	Very high	98 Å²	98	48.8 Å²	48.8	43%	0.426	22%	0.221	S	C	.	.	H	α-helix	trans	-65.5	-46.4	173.8	-76.3	178.7	-65.2	-172.9	0	111.2	P143 M235 T236 E237 Q241 R242	P143-K239 HydrophobicContact CB-CD 3.96Å; P143-K239 HydrophobicContact CB-CG 3.53Å; P143-K239 HydrophobicContact CG-CG 4.32Å; M235-K239 WeakPolarHBondContact O-CB 3.43Å; M235-K239 WeakPolarHBondContact O-CE 3.29Å; M235-K239 VanDerWaalsContact O-CG 3.28Å; M235-K239 WeakPolarHBondContact O-CG 3.01Å; M235-K239 PolarHBondContact O-N 2.83Å; T236-K239 PolarHBondContact O-N 3.01Å; E237-K239 VanDerWaalsContact C-N 3.34Å; E237-K239 PolarHBondContact O-N 3.04Å; K239-Q241 VanDerWaalsContact C-N 3.34Å; K239-Q241 PolarHBondContact O-N 3.46Å; K239-R242 PolarHBondContact O-N 2.92Å
240	H	98.3	Very high	98.4	Very high	145 Å²	145	50.4 Å²	50.4	67%	0.671	23%	0.228	S	C	*	.	H	α-helix	trans	-56.1	-47.7	-179.6	-177.4	73.1	0	0	0	111.6	T236 E237 R242	T236-H240 WeakPolarHBondContact O-CB 3.3Å; T236-H240 PolarHBondContact O-N 3.31Å; E237-H240 WeakPolarHBondContact O-CB 3.37Å; E237-H240 PolarHBondContact O-N 3.46Å; E237-H240 IonicContact OE1-CD2 3.9Å; H240-R242 VanDerWaalsContact C-N 3.26Å; H240-R242 PolarHBondContact O-N 3.42Å
241	Q	98.5	Very high	98.3	Very high	49 Å²	49	50.6 Å²	50.6	23%	0.229	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-3.3	178.5	-65.8	-172.3	41.5	0	0	114.2	G176 E237 K239 I243 Q246	G176-Q241 PolarHBondContact O-NE2 2.66Å; E237-Q241 PolarHBondContact O-N 3.35Å; E237-Q241 WeakPolarHBondContact OE1-CG 3.49Å; E237-Q241 PolarHBondContact OE1-NE2 3.33Å; K239-Q241 VanDerWaalsContact C-N 3.34Å; K239-Q241 PolarHBondContact O-N 3.46Å; Q241-I243 HydrophobicContact CB-CD1 4.26Å; Q241-I243 HydrophobicContact CB-CG1 3.82Å; Q241-I243 PolarHBondContact O-N 2.88Å; Q241-Q246 PolarHBondContact O-NE2 3.13Å
242	R	98.5	Very high	98.2	Very high	169 Å²	169	54.7 Å²	54.7	64%	0.638	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	37.9	-177.7	-54.7	176.6	174.4	-177.4	-0.6	112.9	W238 K239 H240 T244 K245 Q246	W238-R242 PolarHBondContact O-N 3.18Å; K239-R242 PolarHBondContact O-N 2.92Å; H240-R242 VanDerWaalsContact C-N 3.26Å; H240-R242 PolarHBondContact O-N 3.42Å; R242-T244 VanDerWaalsContact C-N 3.3Å; R242-T244 PolarHBondContact O-N 3.12Å; R242-K245 HydrophobicContact CB-CB 4.5Å; R242-K245 HydrophobicContact CB-CD 4.45Å; R242-K245 WeakPolarHBondContact O-CB 3.39Å; R242-K245 PolarHBondContact O-N 2.73Å; R242-Q246 PolarHBondContact O-N 3.12Å
243	I	98.8	Very high	98.1	Very high	3 Å²	3	57.3 Å²	57.3	2%	0.015	26%	0.259	C	S	.	.	H	α-helix	trans	-57.3	-40.8	-172.7	-70.9	177.2	0	0	0	112.2	A178 W238 Q241 K245 Q246 L247 V276 F277	A178-I243 HydrophobicContact CB-CD1 3.25Å; W238-I243 HydrophobicContact CB-CD1 4.42Å; W238-I243 HydrophobicContact CD2-CB 4.12Å; W238-I243 HydrophobicContact CD2-CD1 4.24Å; W238-I243 HydrophobicContact CD2-CG2 3.92Å; W238-I243 HydrophobicContact CG-CB 3.92Å; W238-I243 HydrophobicContact CG-CD1 4.14Å; W238-I243 HydrophobicContact CG-CG1 4.49Å; W238-I243 HydrophobicContact CG-CG2 4.28Å; W238-I243 HydrophobicContact CH2-CG2 4.43Å; W238-I243 HydrophobicContact CZ2-CG2 3.66Å; W238-I243 PolarHBondContact O-N 3.18Å; W238-I243 VanDerWaalsContact O-N 3.12Å; Q241-I243 HydrophobicContact CB-CD1 4.26Å; Q241-I243 HydrophobicContact CB-CG1 3.82Å; Q241-I243 PolarHBondContact O-N 2.88Å; I243-K245 VanDerWaalsContact C-N 3.26Å; I243-K245 PolarHBondContact O-N 2.86Å; I243-Q246 WeakPolarHBondContact O-CA 3.29Å; I243-Q246 WeakPolarHBondContact O-CB 3.42Å; I243-Q246 PolarHBondContact O-N 3.44Å; I243-L247 HydrophobicContact CG2-CD1 3.92Å; I243-L247 HydrophobicContact CG2-CG 4.19Å; I243-L247 WeakPolarHBondContact O-CG 3.37Å; I243-L247 PolarHBondContact O-N 3.24Å; I243-V276 HydrophobicContact CG2-CG1 3.9Å; I243-F277 HydrophobicContact CD1-CE1 3.75Å; I243-F277 HydrophobicContact CD1-CZ 3.83Å; I243-F277 HydrophobicContact CG2-CE2 3.88Å; I243-F277 HydrophobicContact CG2-CZ 3.66Å
244	T	98.6	Very high	97.9	Very high	14 Å²	14	57.8 Å²	57.8	9%	0.086	26%	0.262	C	S	.	.	H	α-helix	trans	-54.3	-42	176.3	-57.1	0	0	0	0	112.3	F140 Y141 L144 W238 R242 Q246 L247 E248	F140-T244 WeakPolarHBondContact O-CB 3.32Å; F140-T244 VanDerWaalsContact O-CG2 3.26Å; F140-T244 WeakPolarHBondContact O-CG2 3.49Å; F140-T244 PolarHBondContact O-OG1 2.99Å; Y141-T244 HydrophobicContact CD1-CG2 3.66Å; Y141-T244 HydrophobicContact CE1-CG2 3.9Å; L144-T244 HydrophobicContact CD1-CG2 4.14Å; W238-T244 PolarHBondContact NE1-OG1 3.25Å; W238-T244 VanDerWaalsContact NE1-OG1 3.11Å; R242-T244 VanDerWaalsContact C-N 3.3Å; R242-T244 PolarHBondContact O-N 3.12Å; T244-Q246 VanDerWaalsContact C-N 3.33Å; T244-Q246 PolarHBondContact O-N 3.31Å; T244-L247 PolarHBondContact O-N 3.28Å; T244-E248 WeakPolarHBondContact O-CG 3.34Å; T244-E248 PolarHBondContact O-N 2.83Å
245	K	98.6	Very high	97.6	Very high	135 Å²	135	58 Å²	58	59%	0.587	27%	0.265	S	S	*	.	H	α-helix	trans	-67.6	-34.5	177.1	-65.1	-173.5	177.2	-176.9	0	112.3	R242 I243 K249	R242-K245 HydrophobicContact CB-CB 4.5Å; R242-K245 HydrophobicContact CB-CD 4.45Å; R242-K245 WeakPolarHBondContact O-CB 3.39Å; R242-K245 PolarHBondContact O-N 2.73Å; I243-K245 VanDerWaalsContact C-N 3.26Å; I243-K245 PolarHBondContact O-N 2.86Å; K245-K249 WeakPolarHBondContact O-CB 3.24Å; K245-K249 PolarHBondContact O-N 2.93Å
246	Q	98.8	Very high	97.4	Very high	74 Å²	74	65.2 Å²	65.2	35%	0.346	30%	0.298	S	S	.	.	H	α-helix	trans	-67.3	-42.4	175.9	-57.5	-176.1	53.4	0	0	110.9	Q241 R242 I243 T244 K249 W250 V276	Q241-Q246 PolarHBondContact O-NE2 3.13Å; R242-Q246 PolarHBondContact O-N 3.12Å; I243-Q246 WeakPolarHBondContact O-CA 3.29Å; I243-Q246 WeakPolarHBondContact O-CB 3.42Å; I243-Q246 PolarHBondContact O-N 3.44Å; T244-Q246 VanDerWaalsContact C-N 3.33Å; T244-Q246 PolarHBondContact O-N 3.31Å; Q246-K249 WeakPolarHBondContact O-CB 3.41Å; Q246-K249 PolarHBondContact O-N 3.33Å; Q246-W250 VanDerWaalsContact O-CD1 3.26Å; Q246-W250 PolarHBondContact O-N 2.83Å; Q246-V276 HydrophobicContact CB-CG1 4.02Å; Q246-V276 HydrophobicContact CB-CG2 3.8Å
247	L	98.6	Very high	97.3	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.2	-49.2	175.2	-65.6	169.2	0	0	0	110.9	F140 W238 I243 T244 K249 W250 M251 P272 M273 V276	F140-L247 HydrophobicContact CB-CB 4.5Å; F140-L247 HydrophobicContact CB-CD1 3.78Å; F140-L247 HydrophobicContact CD1-CD1 3.87Å; F140-L247 HydrophobicContact CD2-CB 3.84Å; F140-L247 HydrophobicContact CD2-CD1 4.24Å; F140-L247 HydrophobicContact CE2-CB 4.26Å; F140-L247 HydrophobicContact CG-CB 4.17Å; F140-L247 HydrophobicContact CG-CD1 3.7Å; F140-L247 HydrophobicContact CG-CG 4.44Å; W238-L247 HydrophobicContact CZ2-CD1 3.84Å; I243-L247 HydrophobicContact CG2-CD1 3.92Å; I243-L247 HydrophobicContact CG2-CG 4.19Å; I243-L247 WeakPolarHBondContact O-CG 3.37Å; I243-L247 PolarHBondContact O-N 3.24Å; T244-L247 PolarHBondContact O-N 3.28Å; L247-K249 VanDerWaalsContact C-N 3.3Å; L247-K249 PolarHBondContact O-N 2.73Å; L247-W250 PolarHBondContact O-N 3.35Å; L247-W250 VanDerWaalsContact O-N 3.1Å; L247-M251 WeakPolarHBondContact O-CG 3.45Å; L247-M251 PolarHBondContact O-N 3.5Å; L247-P272 HydrophobicContact CD2-CB 4.09Å; L247-M273 HydrophobicContact CD2-CB 4.41Å; L247-M273 HydrophobicContact CD2-CG 3.87Å; L247-V276 HydrophobicContact CD2-CB 3.89Å; L247-V276 HydrophobicContact CD2-CG1 4.39Å; L247-V276 HydrophobicContact CD2-CG2 3.77Å; L247-V276 HydrophobicContact CG-CG2 4.25Å
248	E	98.1	Very high	97	Very high	41 Å²	41	66 Å²	66	19%	0.192	30%	0.3	C	S	.	.	H	α-helix	trans	-58	-40	176.7	-72.3	-177.7	142.6	0	0	112.9	K121 Y141 T244 W250 M251 Q252	K121-E248 HydrophobicContact CD-CB 4.36Å; K121-E248 HydrophobicContact CD-CG 4.14Å; K121-E248 IonicContact NZ-OE1 3.95Å; K121-E248 PolarHBondContact NZ-OE1 2.72Å; K121-E248 IonicContact NZ-OE2 2.97Å; Y141-E248 HydrophobicContact CE1-CG 4.36Å; Y141-E248 WeakPolarHBondContact CE1-OE1 3.35Å; Y141-E248 PolarHBondContact OH-OE1 3.15Å; T244-E248 WeakPolarHBondContact O-CG 3.34Å; T244-E248 PolarHBondContact O-N 2.83Å; E248-W250 VanDerWaalsContact C-N 3.31Å; E248-W250 PolarHBondContact O-N 3.28Å; E248-M251 WeakPolarHBondContact O-CB 3.35Å; E248-M251 PolarHBondContact O-N 3.07Å; E248-Q252 WeakPolarHBondContact O-CG 3.46Å; E248-Q252 PolarHBondContact O-N 3.02Å
249	K	98.2	Very high	96.7	Very high	141 Å²	141	66 Å²	66	61%	0.613	30%	0.299	S	S	*	.	H	α-helix	trans	-58.8	-43.8	175.5	179.4	-177.4	177.4	-178.6	0	111.4	K245 Q246 L247 Q252 K253	K245-K249 WeakPolarHBondContact O-CB 3.24Å; K245-K249 PolarHBondContact O-N 2.93Å; Q246-K249 WeakPolarHBondContact O-CB 3.41Å; Q246-K249 PolarHBondContact O-N 3.33Å; L247-K249 VanDerWaalsContact C-N 3.3Å; L247-K249 PolarHBondContact O-N 2.73Å; K249-Q252 PolarHBondContact O-N 2.99Å; K249-K253 WeakPolarHBondContact O-CB 3.46Å; K249-K253 PolarHBondContact O-N 3.12Å
250	W	97.6	Very high	96.4	Very high	34 Å²	34	62.2 Å²	62.2	13%	0.129	28%	0.282	C	S	.	.	H	α-helix	trans	-70.3	-35.3	177.9	-79.6	109	0	0	0	112.9	I214 L217 Q246 L247 E248 K253 N254 L259 Y260 P272 I275	I214-W250 HydrophobicContact CD1-CZ3 4.47Å; L217-W250 HydrophobicContact CD1-CH2 3.98Å; L217-W250 HydrophobicContact CD1-CZ2 4.48Å; L217-W250 HydrophobicContact CD2-CH2 3.59Å; L217-W250 HydrophobicContact CD2-CZ2 3.58Å; L217-W250 HydrophobicContact CG-CH2 4.03Å; L217-W250 HydrophobicContact CG-CZ2 4.47Å; Q246-W250 VanDerWaalsContact O-CD1 3.26Å; Q246-W250 PolarHBondContact O-N 2.83Å; L247-W250 PolarHBondContact O-N 3.35Å; L247-W250 VanDerWaalsContact O-N 3.1Å; E248-W250 VanDerWaalsContact C-N 3.31Å; E248-W250 PolarHBondContact O-N 3.28Å; W250-K253 HydrophobicContact CE3-CD 4.13Å; W250-K253 HydrophobicContact CH2-CD 4.46Å; W250-K253 HydrophobicContact CZ3-CD 3.88Å; W250-K253 PolarHBondContact O-N 2.95Å; W250-N254 WeakPolarHBondContact O-CB 3.27Å; W250-N254 PolarHBondContact O-N 2.94Å; W250-L259 HydrophobicContact CE3-CD1 4.03Å; W250-L259 HydrophobicContact CZ3-CD1 3.8Å; W250-Y260 VanDerWaalsContact C-OH 3.27Å; W250-Y260 PolarHBondContact O-OH 3.26Å; W250-P272 HydrophobicContact CB-CB 3.86Å; W250-I275 HydrophobicContact CD2-CB 4.45Å; W250-I275 HydrophobicContact CD2-CD1 3.88Å; W250-I275 HydrophobicContact CD2-CG2 3.9Å; W250-I275 HydrophobicContact CE3-CD1 3.68Å; W250-I275 HydrophobicContact CG-CD1 4.37Å; W250-I275 HydrophobicContact CG-CG2 4.34Å; W250-I275 HydrophobicContact CH2-CG2 4.17Å; W250-I275 HydrophobicContact CZ2-CG2 3.53Å; W250-I275 HydrophobicContact CZ3-CD1 4.01Å
251	M	95.9	Very high	95.7	Very high	5 Å²	5	56.5 Å²	56.5	3%	0.025	26%	0.259	C	S	.	.	H	α-helix	trans	-59.3	-49.1	172.3	-69.9	179.7	75.3	0	0	111.7	L118 K121 I122 F137 F140 L247 E248 N254 V255 P272	L118-M251 HydrophobicContact CD2-CE 4.05Å; K121-M251 HydrophobicContact CB-CB 4.01Å; K121-M251 HydrophobicContact CB-CE 3.77Å; K121-M251 HydrophobicContact CB-SD 4.38Å; K121-M251 CarbonylContact O-C 3.52Å; K121-M251 WeakPolarHBondContact O-CB 3.46Å; I122-M251 HydrophobicContact CD1-CE 4.41Å; I122-M251 HydrophobicContact CG1-CE 3.75Å; F137-M251 HydrophobicContact CD1-CE 3.51Å; F137-M251 HydrophobicContact CD1-SD 4.25Å; F137-M251 HydrophobicContact CE1-CE 3.58Å; F137-M251 HydrophobicContact CG-CE 4.36Å; F137-M251 HydrophobicContact CZ-CE 4.46Å; F140-M251 HydrophobicContact CD2-CG 4.44Å; F140-M251 HydrophobicContact CD2-SD 3.57Å; F140-M251 VanDerWaalsContact CD2-SD 3.57Å; F140-M251 HydrophobicContact CE2-CE 4.45Å; F140-M251 HydrophobicContact CE2-CG 3.86Å; F140-M251 HydrophobicContact CE2-SD 3.46Å; F140-M251 WeakPolarHBondContact CE2-SD 3.18Å; L247-M251 WeakPolarHBondContact O-CG 3.45Å; L247-M251 PolarHBondContact O-N 3.5Å; E248-M251 WeakPolarHBondContact O-CB 3.35Å; E248-M251 PolarHBondContact O-N 3.07Å; M251-N254 WeakPolarHBondContact O-CB 3.35Å; M251-N254 PolarHBondContact O-N 3.45Å; M251-V255 PolarHBondContact O-N 3.37Å; M251-V255 VanDerWaalsContact O-N 3.13Å; M251-P272 HydrophobicContact CG-CG 4.47Å
252	Q	96.3	Very high	94.3	Very high	86 Å²	86	57.7 Å²	57.7	40%	0.402	27%	0.273	S	S	.	.	H	α-helix	trans	-62.8	-45.7	177.3	-71.6	174.3	-22.9	0	0	111.8	K121 E248 K249 N254 V255 E256	K121-Q252 HydrophobicContact CB-CG 4.49Å; K121-Q252 HydrophobicContact CG-CG 3.92Å; E248-Q252 WeakPolarHBondContact O-CG 3.46Å; E248-Q252 PolarHBondContact O-N 3.02Å; K249-Q252 PolarHBondContact O-N 2.99Å; Q252-N254 PolarHBondContact O-N 2.93Å; Q252-V255 WeakPolarHBondContact O-CA 3.33Å; Q252-V255 VanDerWaalsContact O-CB 3.32Å; Q252-V255 WeakPolarHBondContact O-CB 3.35Å; Q252-V255 PolarHBondContact O-N 3.03Å; Q252-E256 PolarHBondContact O-N 3.09Å; Q252-E256 VanDerWaalsContact O-N 3.11Å
253	K	96.1	Very high	92.6	Very high	55 Å²	55	52 Å²	52	24%	0.239	26%	0.259	C	S	.	.	H	α-helix	trans	-59.7	-34.8	176.7	-159.3	-178.7	-178.9	174.2	0	112.3	A213 K249 W250 E256 E257 L259	A213-K253 HydrophobicContact CB-CD 4.46Å; A213-K253 VanDerWaalsContact CB-CE 3.41Å; K249-K253 WeakPolarHBondContact O-CB 3.46Å; K249-K253 PolarHBondContact O-N 3.12Å; W250-K253 HydrophobicContact CE3-CD 4.13Å; W250-K253 HydrophobicContact CH2-CD 4.46Å; W250-K253 HydrophobicContact CZ3-CD 3.88Å; W250-K253 PolarHBondContact O-N 2.95Å; K253-E256 PolarHBondContact O-N 2.89Å; K253-E257 WeakPolarHBondContact CE-OE1 3.41Å; K253-E257 WeakPolarHBondContact CG-OE1 3.48Å; K253-E257 WeakPolarHBondContact O-CB 3.14Å; K253-E257 PolarHBondContact O-N 3.08Å; K253-L259 HydrophobicContact CB-CD1 4.07Å; K253-L259 HydrophobicContact CD-CD1 3.74Å; K253-L259 HydrophobicContact CG-CD1 3.69Å
254	N	94.5	Very high	90.7	Very high	10 Å²	10	58 Å²	58	5%	0.053	29%	0.29	C	S	.	.	H	α-helix	trans	-68.7	-33.2	174	-177.4	63.2	0	0	0	113.1	W250 M251 Q252 E256 N258 L259 Y260	W250-N254 WeakPolarHBondContact O-CB 3.27Å; W250-N254 PolarHBondContact O-N 2.94Å; M251-N254 WeakPolarHBondContact O-CB 3.35Å; M251-N254 PolarHBondContact O-N 3.45Å; Q252-N254 PolarHBondContact O-N 2.93Å; N254-E256 VanDerWaalsContact C-N 3.29Å; N254-N258 VanDerWaalsContact O-CA 3.26Å; N254-N258 WeakPolarHBondContact O-CA 3.34Å; N254-N258 PolarHBondContact O-N 3.45Å; N254-L259 HydrophobicContact CB-CB 4.45Å; N254-L259 PolarHBondContact OD1-N 3.14Å; N254-Y260 HydrophobicContact CB-CD1 4.43Å; N254-Y260 HydrophobicContact CB-CD2 3.96Å; N254-Y260 HydrophobicContact CB-CE1 4.06Å; N254-Y260 HydrophobicContact CB-CE2 3.55Å; N254-Y260 HydrophobicContact CB-CG 4.37Å; N254-Y260 VanDerWaalsContact CG-CE2 3.43Å; N254-Y260 VanDerWaalsContact ND2-CD2 3.32Å; N254-Y260 WeakPolarHBondContact ND2-CD2 3.45Å; N254-Y260 WeakPolarHBondContact OD1-CD2 3.43Å; N254-Y260 VanDerWaalsContact OD1-CG 3.32Å; N254-Y260 PolarHBondContact OD1-N 2.97Å
255	V	93.6	Very high	88.7	Confident	53 Å²	53	57.5 Å²	57.5	32%	0.321	29%	0.288	S	S	.	.	H	α-helix	trans	-62	-41	171.5	174.1	0	0	0	0	110.8	R123 M251 Q252	R123-V255 HydrophobicContact CB-CG2 4.38Å; M251-V255 PolarHBondContact O-N 3.37Å; M251-V255 VanDerWaalsContact O-N 3.13Å; Q252-V255 WeakPolarHBondContact O-CA 3.33Å; Q252-V255 VanDerWaalsContact O-CB 3.32Å; Q252-V255 WeakPolarHBondContact O-CB 3.35Å; Q252-V255 PolarHBondContact O-N 3.03Å
256	E	94.2	Very high	86.8	Confident	150 Å²	150	51.4 Å²	51.4	70%	0.701	26%	0.263	S	S	*	.	H	α-helix	trans	-76.1	-43.6	-176.9	-66.5	168.1	-175.5	0	0	113.1	Q252 K253 N254	Q252-E256 PolarHBondContact O-N 3.09Å; Q252-E256 VanDerWaalsContact O-N 3.11Å; K253-E256 PolarHBondContact O-N 2.89Å; N254-E256 VanDerWaalsContact C-N 3.29Å
257	E	94	Very high	85.4	Confident	74 Å²	74	48.1 Å²	48.1	35%	0.346	25%	0.249	S	C	.	.	H	α-helix	trans	-113.8	-7.9	-166.5	-63.2	-178.1	-141.3	0	0	114.2	K211 A213 K253 L259	K211-E257 PolarHBondContact NZ-O 3.2Å; A213-E257 WeakPolarHBondContact CB-OE2 3.4Å; K253-E257 WeakPolarHBondContact CE-OE1 3.41Å; K253-E257 WeakPolarHBondContact CG-OE1 3.48Å; K253-E257 WeakPolarHBondContact O-CB 3.14Å; K253-E257 PolarHBondContact O-N 3.08Å; E257-L259 HydrophobicContact CB-CD2 3.5Å; E257-L259 VanDerWaalsContact CB-CD2 3.5Å; E257-L259 HydrophobicContact CB-CG 3.85Å
258	N	92.3	Very high	84.5	Confident	50 Å²	50	49 Å²	49	27%	0.267	26%	0.255	S	S	.	.			trans	50.5	70.8	-173.4	-173	32.6	0	0	0	111.6	R123 K211 N254	R123-N258 VanDerWaalsContact CZ-CG 3.43Å; R123-N258 PolarHBondContact NH1-OD1 3.38Å; K211-N258 WeakPolarHBondContact CE-O 3.25Å; K211-N258 PolarHBondContact NZ-O 3.28Å; N254-N258 VanDerWaalsContact O-CA 3.26Å; N254-N258 WeakPolarHBondContact O-CA 3.34Å; N254-N258 PolarHBondContact O-N 3.45Å
259	L	92.8	Very high	84.1	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.247	C	C	.	.			trans	-90.5	-21.2	-168.7	-64.1	-174	0	0	0	114.5	D208 K211 A213 I214 W250 K253 N254 E257	D208-L259 WeakPolarHBondContact CB-O 3.42Å; D208-L259 PolarHBondContact N-O 2.89Å; K211-L259 HydrophobicContact CB-CD2 3.78Å; K211-L259 HydrophobicContact CG-CD2 3.98Å; A213-L259 HydrophobicContact CB-CD1 4.2Å; A213-L259 HydrophobicContact CB-CD2 3.81Å; I214-L259 HydrophobicContact CD1-CB 4.11Å; I214-L259 HydrophobicContact CD1-CD1 4.41Å; I214-L259 HydrophobicContact CG1-CB 4.32Å; I214-L259 HydrophobicContact CG1-CD2 4.34Å; W250-L259 HydrophobicContact CE3-CD1 4.03Å; W250-L259 HydrophobicContact CZ3-CD1 3.8Å; K253-L259 HydrophobicContact CB-CD1 4.07Å; K253-L259 HydrophobicContact CD-CD1 3.74Å; K253-L259 HydrophobicContact CG-CD1 3.69Å; N254-L259 HydrophobicContact CB-CB 4.45Å; N254-L259 PolarHBondContact OD1-N 3.14Å; E257-L259 HydrophobicContact CB-CD2 3.5Å; E257-L259 VanDerWaalsContact CB-CD2 3.5Å; E257-L259 HydrophobicContact CB-CG 3.85Å
260	Y	91.4	Very high	83.9	Confident	18 Å²	18	41.5 Å²	41.5	7%	0.071	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-92.7	142.8	-173.3	-55	-22.2	0	0	0	111.2	Y206 L207 W250 N254 S271 P272 I275	Y206-Y260 WeakPolarHBondContact O-CA 3.29Å; L207-Y260 HydrophobicContact CD2-CD1 4.02Å; L207-Y260 HydrophobicContact CD2-CE1 4.36Å; W250-Y260 VanDerWaalsContact C-OH 3.27Å; W250-Y260 PolarHBondContact O-OH 3.26Å; N254-Y260 HydrophobicContact CB-CD1 4.43Å; N254-Y260 HydrophobicContact CB-CD2 3.96Å; N254-Y260 HydrophobicContact CB-CE1 4.06Å; N254-Y260 HydrophobicContact CB-CE2 3.55Å; N254-Y260 HydrophobicContact CB-CG 4.37Å; N254-Y260 VanDerWaalsContact CG-CE2 3.43Å; N254-Y260 VanDerWaalsContact ND2-CD2 3.32Å; N254-Y260 WeakPolarHBondContact ND2-CD2 3.45Å; N254-Y260 WeakPolarHBondContact OD1-CD2 3.43Å; N254-Y260 VanDerWaalsContact OD1-CG 3.32Å; N254-Y260 PolarHBondContact OD1-N 2.97Å; Y260-S271 VanDerWaalsContact CG-CB 3.42Å; Y260-P272 WeakPolarHBondContact OH-CB 3.34Å; Y260-I275 HydrophobicContact CE1-CD1 4.11Å
261	S	83.8	Confident	83.8	Confident	26 Å²	26	39.9 Å²	39.9	18%	0.182	22%	0.218	C	C	.	.			trans	-74.8	145.5	176.7	-173	0	0	0	0	110.8	Y206 S263 G266	Y206-S261 PolarHBondContact O-N 3Å; S261-S263 PolarHBondContact OG-N 3.44Å; S261-S263 VanDerWaalsContact OG-N 3.12Å; S261-S263 PolarHBondContact OG-OG 3.44Å; S261-G266 VanDerWaalsContact O-CA 3.25Å; S261-G266 WeakPolarHBondContact O-CA 3.33Å
262	S	68.9	Low	83.8	Confident	73 Å²	73	39.6 Å²	39.6	51%	0.51	22%	0.217	S	C	.	.			trans	-93.5	-1	170.3	-71.2	0	0	0	0	113.3	S127	S127-S262 WeakPolarHBondContact OG-CB 3.44Å; S127-S262 PolarHBondContact OG-OG 3.12Å
263	S	63.8	Low	83.9	Confident	50 Å²	50	35.5 Å²	35.5	35%	0.35	20%	0.198	S	C	.	.	S	Bend	trans	-80.9	162.2	-177.2	63.4	0	0	0	0	113	S261 G265 G266	S261-S263 PolarHBondContact OG-N 3.44Å; S261-S263 VanDerWaalsContact OG-N 3.12Å; S261-S263 PolarHBondContact OG-OG 3.44Å; S263-G265 PolarHBondContact O-N 2.76Å; S263-G266 WeakPolarHBondContact O-CA 3.45Å; S263-G266 PolarHBondContact O-N 3.17Å
264	L	58.8	Low	83.9	Confident	128 Å²	128	32.9 Å²	32.9	67%	0.67	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	31	-80.4	164.9	-71.1	151.1	0	0	0	116.1	R128	R128-L264 PolarHBondContact NH1-O 3.4Å; R128-L264 VanDerWaalsContact NH1-O 3.15Å
265	G	55.7	Low	84.1	Confident	5 Å²	5	33.1 Å²	33.1	5%	0.052	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-20.1	-179.2	0	0	0	0	0	116.5	R128 Y206 S263 G267	R128-G265 PolarHBondContact NH2-O 2.82Å; Y206-G265 WeakPolarHBondContact CE1-O 3.49Å; S263-G265 PolarHBondContact O-N 2.76Å; G265-G267 PolarHBondContact O-N 3.21Å
266	G	59	Low	84.3	Confident	6 Å²	6	31.4 Å²	31.4	6%	0.062	18%	0.177	C	C	.	.			trans	-21	78.3	-172	0	0	0	0	0	117.8	R128 L131 G205 S261 S263	R128-G266 PolarHBondContact NE-O 2.87Å; R128-G266 VanDerWaalsContact NE-O 3.15Å; R128-G266 PolarHBondContact NH2-O 2.97Å; L131-G266 WeakPolarHBondContact CD1-O 3.49Å; G205-G266 PolarHBondContact O-N 3.43Å; G205-G266 VanDerWaalsContact O-N 3.12Å; S261-G266 VanDerWaalsContact O-CA 3.25Å; S261-G266 WeakPolarHBondContact O-CA 3.33Å; S263-G266 WeakPolarHBondContact O-CA 3.45Å; S263-G266 PolarHBondContact O-N 3.17Å
267	G	69.3	Low	84.5	Confident	5 Å²	5	24.4 Å²	24.4	5%	0.052	14%	0.144	C	C	.	.			trans	-100.7	115.2	-178.5	0	0	0	0	0	111.7	G265 A269 T270 S271	G265-G267 PolarHBondContact O-N 3.21Å; G267-A269 VanDerWaalsContact C-N 3.27Å; G267-A269 PolarHBondContact O-N 2.86Å; G267-T270 PolarHBondContact O-N 2.85Å; G267-T270 VanDerWaalsContact O-N 3.12Å; G267-S271 PolarHBondContact O-N 2.78Å; G267-S271 PolarHBondContact O-OG 2.84Å; G267-S271 VanDerWaalsContact O-OG 3.09Å
268	V	81.1	Confident	84.7	Confident	18 Å²	18	24.2 Å²	24.2	11%	0.109	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-40.9	-179.9	-175	0	0	0	0	111.8	L131 L132 F137 P272	L131-V268 HydrophobicContact CB-CG2 4.18Å; L132-V268 HydrophobicContact CD2-CB 4.32Å; L132-V268 HydrophobicContact CD2-CG1 4Å; L132-V268 HydrophobicContact CD2-CG2 3.84Å; F137-V268 HydrophobicContact CE1-CG1 4.2Å; F137-V268 HydrophobicContact CZ-CB 4.38Å; F137-V268 HydrophobicContact CZ-CG1 3.75Å; V268-P272 VanDerWaalsContact O-CD 3.29Å; V268-P272 WeakPolarHBondContact O-CD 3.27Å
269	A	89.4	Confident	84.9	Confident	5 Å²	5	24.8 Å²	24.8	4%	0.041	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-28.2	176.2	0	0	0	0	0	113.1	F137 F140 G267 P272	F137-A269 HydrophobicContact CD1-CB 4.29Å; F137-A269 HydrophobicContact CE1-CB 4.13Å; F140-A269 HydrophobicContact CE1-CB 4.17Å; F140-A269 WeakPolarHBondContact CE1-O 3.4Å; F140-A269 HydrophobicContact CZ-CB 4Å; F140-A269 WeakPolarHBondContact CZ-O 3.13Å; G267-A269 VanDerWaalsContact C-N 3.27Å; G267-A269 PolarHBondContact O-N 2.86Å; A269-P272 WeakPolarHBondContact O-CD 3.23Å; A269-P272 WeakPolarHBondContact O-CG 3.36Å
270	T	93.5	Very high	85.1	Confident	20 Å²	20	30.1 Å²	30.1	12%	0.123	18%	0.184	C	C	.	.	H	α-helix	trans	-72.2	-43.1	-177.3	-51.8	0	0	0	0	111.9	Y206 P228 G267 M273 L274	Y206-T270 HydrophobicContact CD1-CG2 3.88Å; Y206-T270 HydrophobicContact CE1-CG2 3.58Å; P228-T270 HydrophobicContact CG-CG2 4.05Å; G267-T270 PolarHBondContact O-N 2.85Å; G267-T270 VanDerWaalsContact O-N 3.12Å; T270-M273 WeakPolarHBondContact O-CB 3.11Å; T270-M273 PolarHBondContact O-N 2.72Å; T270-L274 HydrophobicContact CG2-CD1 3.98Å; T270-L274 HydrophobicContact CG2-CD2 4.44Å; T270-L274 HydrophobicContact CG2-CG 3.94Å; T270-L274 WeakPolarHBondContact O-CG 3.34Å; T270-L274 PolarHBondContact O-N 2.87Å
271	S	95	Very high	85.4	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-53.8	-49.2	-176.4	-59.6	0	0	0	0	115.3	Y206 Y260 G267 M273 L274 I275	Y206-S271 PolarHBondContact O-OG 3.21Å; Y260-S271 VanDerWaalsContact CG-CB 3.42Å; G267-S271 PolarHBondContact O-N 2.78Å; G267-S271 PolarHBondContact O-OG 2.84Å; G267-S271 VanDerWaalsContact O-OG 3.09Å; S271-M273 VanDerWaalsContact C-N 3.31Å; S271-M273 PolarHBondContact O-N 3.45Å; S271-L274 PolarHBondContact O-N 2.94Å; S271-I275 WeakPolarHBondContact O-CG1 3.48Å; S271-I275 PolarHBondContact O-N 2.89Å
272	P	96.6	Very high	86.1	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.9	-33.8	176.3	25.3	-34.6	0	0	0	112.6	F140 L247 W250 M251 Y260 V268 A269 I275 V276	F140-P272 HydrophobicContact CE1-CG 4.46Å; F140-P272 HydrophobicContact CE2-CB 4.44Å; F140-P272 HydrophobicContact CE2-CG 3.69Å; F140-P272 HydrophobicContact CZ-CB 4.42Å; F140-P272 HydrophobicContact CZ-CG 3.41Å; F140-P272 VanDerWaalsContact CZ-CG 3.41Å; L247-P272 HydrophobicContact CD2-CB 4.09Å; W250-P272 HydrophobicContact CB-CB 3.86Å; M251-P272 HydrophobicContact CG-CG 4.47Å; Y260-P272 WeakPolarHBondContact OH-CB 3.34Å; V268-P272 VanDerWaalsContact O-CD 3.29Å; V268-P272 WeakPolarHBondContact O-CD 3.27Å; A269-P272 WeakPolarHBondContact O-CD 3.23Å; A269-P272 WeakPolarHBondContact O-CG 3.36Å; P272-I275 PolarHBondContact O-N 2.96Å; P272-V276 WeakPolarHBondContact O-CB 3.44Å; P272-V276 WeakPolarHBondContact O-CG2 3.39Å; P272-V276 PolarHBondContact O-N 3.5Å
273	M	97.9	Very high	87.4	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-66.1	-45.8	176.5	-66	-174.6	71.2	0	0	111.2	R139 F140 F181 F226 P228 I231 L247 T270 S271 I275 V276 F277	R139-M273 HydrophobicContact CG-SD 3.91Å; F140-M273 HydrophobicContact CD1-CG 4.09Å; F140-M273 HydrophobicContact CD1-SD 4.07Å; F140-M273 HydrophobicContact CE1-CG 3.5Å; F140-M273 HydrophobicContact CE1-SD 3.62Å; F140-M273 HydrophobicContact CZ-CG 4.21Å; F181-M273 HydrophobicContact CE1-CE 3.52Å; F181-M273 HydrophobicContact CZ-CE 3.67Å; F226-M273 HydrophobicContact CE2-CB 4.15Å; F226-M273 HydrophobicContact CZ-CB 4.08Å; P228-M273 HydrophobicContact CB-CE 3.73Å; P228-M273 HydrophobicContact CB-SD 3.5Å; P228-M273 VanDerWaalsContact CB-SD 3.5Å; P228-M273 HydrophobicContact CG-SD 4.19Å; I231-M273 HydrophobicContact CD1-CE 3.83Å; L247-M273 HydrophobicContact CD2-CB 4.41Å; L247-M273 HydrophobicContact CD2-CG 3.87Å; T270-M273 WeakPolarHBondContact O-CB 3.11Å; T270-M273 PolarHBondContact O-N 2.72Å; S271-M273 VanDerWaalsContact C-N 3.31Å; S271-M273 PolarHBondContact O-N 3.45Å; M273-I275 PolarHBondContact O-N 3.43Å; M273-V276 PolarHBondContact O-N 3.33Å; M273-F277 HydrophobicContact CB-CD2 4.34Å; M273-F277 HydrophobicContact CE-CE2 4.23Å; M273-F277 WeakPolarHBondContact O-CB 3.37Å; M273-F277 WeakPolarHBondContact O-CD2 3.18Å; M273-F277 PolarHBondContact O-N 3.09Å
274	L	97.4	Very high	89	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-55.5	-40	175	-69.1	178.7	0	0	0	111.6	Y203 Y206 F226 T270 S271 H278	Y203-L274 HydrophobicContact CD1-CB 4.47Å; Y203-L274 HydrophobicContact CE1-CB 3.78Å; Y203-L274 WeakPolarHBondContact CE1-O 3.43Å; Y203-L274 HydrophobicContact CE2-CB 4.39Å; Y203-L274 HydrophobicContact CE2-CD2 4.1Å; Y203-L274 PolarHBondContact OH-O 2.9Å; Y206-L274 HydrophobicContact CD1-CD1 3.98Å; Y206-L274 HydrophobicContact CD2-CD1 3.52Å; Y206-L274 HydrophobicContact CE2-CD1 4.13Å; Y206-L274 HydrophobicContact CG-CD1 3.44Å; Y206-L274 VanDerWaalsContact CG-CD1 3.44Å; F226-L274 HydrophobicContact CD1-CD2 3.72Å; F226-L274 HydrophobicContact CD2-CD2 4.19Å; F226-L274 HydrophobicContact CE1-CD2 3.73Å; F226-L274 HydrophobicContact CE2-CD2 4.18Å; F226-L274 HydrophobicContact CG-CD2 3.95Å; F226-L274 HydrophobicContact CZ-CD2 3.96Å; T270-L274 HydrophobicContact CG2-CD1 3.98Å; T270-L274 HydrophobicContact CG2-CD2 4.44Å; T270-L274 HydrophobicContact CG2-CG 3.94Å; T270-L274 WeakPolarHBondContact O-CG 3.34Å; T270-L274 PolarHBondContact O-N 2.87Å; S271-L274 PolarHBondContact O-N 2.94Å; L274-H278 WeakPolarHBondContact O-CB 3.31Å; L274-H278 PolarHBondContact O-N 2.76Å
275	I	97.9	Very high	90.6	Very high	14 Å²	14	27.5 Å²	27.5	7%	0.072	16%	0.162	C	C	.	.	H	α-helix	trans	-70.6	-47.8	178.7	-63.1	161.1	0	0	0	111.5	L207 I214 L217 W250 Y260 S271 P272 M273	L207-I275 HydrophobicContact CD1-CD1 4.44Å; L207-I275 HydrophobicContact CD1-CG1 4.02Å; L207-I275 HydrophobicContact CD2-CD1 3.7Å; L207-I275 HydrophobicContact CD2-CG1 3.99Å; I214-I275 HydrophobicContact CD1-CD1 4.4Å; L217-I275 HydrophobicContact CD1-CD1 4.3Å; L217-I275 HydrophobicContact CD1-CG1 3.98Å; L217-I275 HydrophobicContact CD1-CG2 3.91Å; L217-I275 HydrophobicContact CD2-CG2 4.01Å; W250-I275 HydrophobicContact CD2-CB 4.45Å; W250-I275 HydrophobicContact CD2-CD1 3.88Å; W250-I275 HydrophobicContact CD2-CG2 3.9Å; W250-I275 HydrophobicContact CE3-CD1 3.68Å; W250-I275 HydrophobicContact CG-CD1 4.37Å; W250-I275 HydrophobicContact CG-CG2 4.34Å; W250-I275 HydrophobicContact CH2-CG2 4.17Å; W250-I275 HydrophobicContact CZ2-CG2 3.53Å; W250-I275 HydrophobicContact CZ3-CD1 4.01Å; Y260-I275 HydrophobicContact CE1-CD1 4.11Å; S271-I275 WeakPolarHBondContact O-CG1 3.48Å; S271-I275 PolarHBondContact O-N 2.89Å; P272-I275 PolarHBondContact O-N 2.96Å; M273-I275 PolarHBondContact O-N 3.43Å
276	V	98.5	Very high	92.3	Very high	17 Å²	17	30.9 Å²	30.9	10%	0.103	18%	0.183	C	C	.	.	H	α-helix	trans	-71.2	-36.8	-173.9	172.2	0	0	0	0	112.3	I243 Q246 L247 P272 M273	I243-V276 HydrophobicContact CG2-CG1 3.9Å; Q246-V276 HydrophobicContact CB-CG1 4.02Å; Q246-V276 HydrophobicContact CB-CG2 3.8Å; L247-V276 HydrophobicContact CD2-CB 3.89Å; L247-V276 HydrophobicContact CD2-CG1 4.39Å; L247-V276 HydrophobicContact CD2-CG2 3.77Å; L247-V276 HydrophobicContact CG-CG2 4.25Å; P272-V276 WeakPolarHBondContact O-CB 3.44Å; P272-V276 WeakPolarHBondContact O-CG2 3.39Å; P272-V276 PolarHBondContact O-N 3.5Å; M273-V276 PolarHBondContact O-N 3.33Å
277	F	98.5	Very high	93.9	Very high	3 Å²	3	33.6 Å²	33.6	1%	0.013	20%	0.195	C	C	.	.	H	α-helix	trans	-93.7	0.8	-179.1	-71.9	-81.2	0	0	0	113.9	A178 A179 F181 F226 W238 I243 M273 G279 K280 Y281	A178-F277 HydrophobicContact CB-CE1 4.28Å; A179-F277 HydrophobicContact CB-CD1 4.34Å; A179-F277 HydrophobicContact CB-CE1 3.68Å; A179-F277 HydrophobicContact CB-CZ 4.08Å; F181-F277 HydrophobicContact CE2-CB 4.04Å; F181-F277 AromaticContact CE2-CD1 3.8Å; F181-F277 HydrophobicContact CE2-CD1 3.8Å; F181-F277 HydrophobicContact CE2-CD2 4.01Å; F181-F277 HydrophobicContact CE2-CE1 4.2Å; F181-F277 HydrophobicContact CE2-CE2 4.41Å; F181-F277 AromaticContact CE2-CG 3.68Å; F181-F277 HydrophobicContact CE2-CG 3.68Å; F181-F277 HydrophobicContact CE2-CZ 4.48Å; F181-F277 HydrophobicContact CZ-CD1 4.29Å; F181-F277 AromaticContact CZ-CD2 3.95Å; F181-F277 HydrophobicContact CZ-CD2 3.95Å; F181-F277 HydrophobicContact CZ-CE1 4.33Å; F181-F277 HydrophobicContact CZ-CE2 4Å; F181-F277 HydrophobicContact CZ-CG 4.1Å; F181-F277 HydrophobicContact CZ-CZ 4.18Å; F226-F277 HydrophobicContact CE1-CB 3.84Å; F226-F277 HydrophobicContact CZ-CB 3.82Å; F226-F277 HydrophobicContact CZ-CD2 4.43Å; F226-F277 HydrophobicContact CZ-CG 4.45Å; W238-F277 HydrophobicContact CD2-CZ 4.41Å; W238-F277 AromaticContact CE3-CZ 3.9Å; W238-F277 HydrophobicContact CE3-CZ 3.9Å; W238-F277 AromaticContact CH2-CE2 3.92Å; W238-F277 HydrophobicContact CH2-CE2 3.92Å; W238-F277 AromaticContact CH2-CZ 3.66Å; W238-F277 HydrophobicContact CH2-CZ 3.66Å; W238-F277 HydrophobicContact CZ2-CE2 4.38Å; W238-F277 HydrophobicContact CZ2-CZ 4.17Å; W238-F277 HydrophobicContact CZ3-CE1 4.43Å; W238-F277 HydrophobicContact CZ3-CE2 4.22Å; W238-F277 AromaticContact CZ3-CZ 3.52Å; W238-F277 HydrophobicContact CZ3-CZ 3.52Å; I243-F277 HydrophobicContact CD1-CE1 3.75Å; I243-F277 HydrophobicContact CD1-CZ 3.83Å; I243-F277 HydrophobicContact CG2-CE2 3.88Å; I243-F277 HydrophobicContact CG2-CZ 3.66Å; M273-F277 HydrophobicContact CB-CD2 4.34Å; M273-F277 HydrophobicContact CE-CE2 4.23Å; M273-F277 WeakPolarHBondContact O-CB 3.37Å; M273-F277 WeakPolarHBondContact O-CD2 3.18Å; M273-F277 PolarHBondContact O-N 3.09Å; F277-G279 PolarHBondContact O-N 3.37Å; F277-K280 PolarHBondContact O-N 3.08Å; F277-Y281 VanDerWaalsContact O-CD1 3.29Å; F277-Y281 WeakPolarHBondContact O-CD1 3.17Å
278	H	97.6	Very high	95.3	Very high	71 Å²	71	33.6 Å²	33.6	33%	0.329	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	117.2	-179.7	177.9	-98.2	0	0	0	111.7	Y203 I219 L274 K280	Y203-H278 AromaticContact CZ-CD2 3.77Å; I219-H278 HydrophobicContact CD1-CB 3.9Å; L274-H278 WeakPolarHBondContact O-CB 3.31Å; L274-H278 PolarHBondContact O-N 2.76Å; H278-K280 PolarHBondContact O-N 3.49Å
279	G	95.9	Very high	95.9	Very high	62 Å²	62	32.8 Å²	32.8	64%	0.639	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.8	14.9	-178.1	0	0	0	0	0	115.5	F277	F277-G279 PolarHBondContact O-N 3.37Å
280	K	97	Very high	96	Very high	111 Å²	111	33 Å²	33	48%	0.483	19%	0.189	S	C	.	.			trans	-137.2	42.1	-173.4	-62.1	-176.4	179.6	-177.6	0	113	F277 H278	F277-K280 PolarHBondContact O-N 3.08Å; H278-K280 PolarHBondContact O-N 3.49Å
281	Y	98.2	Very high	95.8	Very high	42 Å²	42	32.2 Å²	32.2	17%	0.165	18%	0.184	C	C	.	.			trans	-141.5	154	176.1	68.5	-77.2	0	0	0	110.3	H177 A179 F181 D183 F226 F277	H177-Y281 PolarHBondContact CE1-O 3.02Å; H177-Y281 PolarHBondContact ND1-O 3.22Å; H177-Y281 VanDerWaalsContact ND1-O 3.12Å; A179-Y281 WeakPolarHBondContact O-CA 3.22Å; A179-Y281 WeakPolarHBondContact O-CB 3.47Å; F181-Y281 HydrophobicContact CB-CD2 4.03Å; F181-Y281 HydrophobicContact CB-CE2 4.32Å; F181-Y281 AromaticContact CD2-CD2 3.67Å; F181-Y281 HydrophobicContact CD2-CD2 3.67Å; F181-Y281 AromaticContact CD2-CG 3.74Å; F181-Y281 HydrophobicContact CD2-CG 3.74Å; F181-Y281 HydrophobicContact CE2-CG 4.38Å; F181-Y281 HydrophobicContact CG-CD2 4.35Å; D183-Y281 PolarHBondContact OD1-OH 2.99Å; F226-Y281 HydrophobicContact CB-CE2 4.27Å; F226-Y281 HydrophobicContact CD1-CD1 4.24Å; F226-Y281 AromaticContact CD1-CE1 3.85Å; F226-Y281 HydrophobicContact CD1-CE1 3.85Å; F226-Y281 HydrophobicContact CD1-CE2 4.15Å; F226-Y281 AromaticContact CD1-CZ 3.8Å; F226-Y281 HydrophobicContact CE1-CD1 4.31Å; F226-Y281 HydrophobicContact CE1-CE1 4.25Å; F226-Y281 HydrophobicContact CG-CE2 4.49Å; F277-Y281 VanDerWaalsContact O-CD1 3.29Å; F277-Y281 WeakPolarHBondContact O-CD1 3.17Å
282	S	98.6	Very high	95.4	Very high	12 Å²	12	32.2 Å²	32.2	8%	0.084	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	163.4	172.4	-48.1	0	0	0	0	109.8	L173 A174 H177 A179 A180 F181	L173-S282 WeakPolarHBondContact CA-OG 3.39Å; A174-S282 PolarHBondContact N-OG 3.46Å; H177-S282 PolarHBondContact ND1-N 3.22Å; H177-S282 PolarHBondContact ND1-OG 2.93Å; A179-S282 PolarHBondContact O-N 3.05Å; A180-S282 CarbonylContact C-O 3.51Å; A180-S282 WeakPolarHBondContact CA-O 3.26Å; A180-S282 VanDerWaalsContact CB-O 3.27Å; A180-S282 WeakPolarHBondContact CB-O 3.24Å; F181-S282 PolarHBondContact N-O 3.24Å
283	T	96.8	Very high	95.1	Very high	95 Å²	95	32.2 Å²	32.2	58%	0.583	18%	0.184	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	143.1	-177.9	51.7	0	0	0	0	111.3	F181	F181-T283 WeakPolarHBondContact O-CA 3.18Å
284	I	96.6	Very high	94.7	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.026	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-90.3	142.4	166.4	-63.4	177.2	0	0	0	107.8	L168 A180 F181 V230 V232 W288	L168-I284 HydrophobicContact CD1-CD1 4.34Å; L168-I284 HydrophobicContact CD1-CG2 3.77Å; A180-I284 HydrophobicContact CB-CD1 4.35Å; A180-I284 HydrophobicContact CB-CG1 3.69Å; F181-I284 PolarHBondContact O-N 3.03Å; V230-I284 HydrophobicContact CB-CD1 4.49Å; V230-I284 HydrophobicContact CG1-CD1 3.86Å; V232-I284 HydrophobicContact CG2-CD1 4.25Å; I284-W288 HydrophobicContact CG2-CB 3.62Å
285	N	93.1	Very high	94.2	Very high	86 Å²	86	36 Å²	36	46%	0.46	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-57.2	129.7	174.1	178.9	-31.8	0	0	0	109.8	L287 W288	N285-L287 PolarHBondContact O-N 2.84Å; N285-L287 PolarHBondContact OD1-N 3.17Å; N285-W288 WeakPolarHBondContact O-CB 3.48Å; N285-W288 PolarHBondContact O-N 2.77Å
286	P	90.4	Very high	93.5	Very high	77 Å²	77	38.4 Å²	38.4	50%	0.5	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-54.3	-28.8	-177.2	-29.1	36	0	0	0	115.6	W288 H289 I290	P286-W288 PolarHBondContact O-N 3.27Å; P286-H289 CarbonylContact O-C 3.55Å; P286-H289 PolarHBondContact O-N 3.29Å; P286-I290 WeakPolarHBondContact O-CD1 3.44Å
287	L	93.4	Very high	92.7	Very high	62 Å²	62	39 Å²	39	33%	0.325	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-63.8	-25.8	175.9	-64.9	179.6	0	0	0	112.8	N285 H289 K310 L311	N285-L287 PolarHBondContact O-N 2.84Å; N285-L287 PolarHBondContact OD1-N 3.17Å; L287-H289 PolarHBondContact O-N 2.65Å; L287-K310 HydrophobicContact CB-CG 4.25Å; L287-K310 WeakPolarHBondContact O-CA 3.26Å; L287-K310 PolarHBondContact O-N 3.5Å; L287-L311 PolarHBondContact O-N 2.76Å; L287-L311 VanDerWaalsContact O-N 3.16Å
288	W	96.9	Very high	91.8	Very high	6 Å²	6	45 Å²	45	2%	0.023	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-81.5	7.1	174.8	-82.5	106.4	0	0	0	113.3	V161 D164 I165 E167 L168 I284 N285 P286 K310 L311	V161-W288 HydrophobicContact CG1-CH2 4.28Å; V161-W288 HydrophobicContact CG1-CZ3 3.84Å; D164-W288 VanDerWaalsContact C-CH2 3.47Å; D164-W288 WeakPolarHBondContact O-CH2 3.26Å; D164-W288 WeakPolarHBondContact O-CZ2 3.22Å; I165-W288 HydrophobicContact CD1-CH2 4.49Å; I165-W288 HydrophobicContact CD1-CZ3 4.02Å; E167-W288 HydrophobicContact CB-CZ2 3.87Å; E167-W288 HydrophobicContact CG-CZ2 4.47Å; E167-W288 PolarHBondContact OE2-NE1 3.02Å; L168-W288 HydrophobicContact CB-CD2 3.81Å; L168-W288 HydrophobicContact CB-CE3 3.77Å; L168-W288 HydrophobicContact CB-CG 4.48Å; L168-W288 HydrophobicContact CB-CH2 4.09Å; L168-W288 HydrophobicContact CB-CZ2 4.13Å; L168-W288 HydrophobicContact CB-CZ3 3.89Å; L168-W288 HydrophobicContact CD1-CB 4.06Å; L168-W288 HydrophobicContact CD1-CD2 4.15Å; L168-W288 HydrophobicContact CD1-CE3 4.31Å; L168-W288 HydrophobicContact CD1-CG 4.05Å; L168-W288 HydrophobicContact CD2-CE3 3.87Å; L168-W288 HydrophobicContact CD2-CZ3 4.21Å; L168-W288 HydrophobicContact CG-CD2 4.36Å; L168-W288 HydrophobicContact CG-CE3 4.19Å; I284-W288 HydrophobicContact CG2-CB 3.62Å; N285-W288 WeakPolarHBondContact O-CB 3.48Å; N285-W288 PolarHBondContact O-N 2.77Å; P286-W288 PolarHBondContact O-N 3.27Å; W288-K310 HydrophobicContact CD2-CB 3.68Å; W288-K310 HydrophobicContact CD2-CD 4.29Å; W288-K310 HydrophobicContact CE3-CB 3.96Å; W288-K310 HydrophobicContact CG-CB 4.11Å; W288-K310 HydrophobicContact CG-CD 4.47Å; W288-K310 HydrophobicContact CH2-CB 4.24Å; W288-K310 HydrophobicContact CZ2-CB 3.99Å; W288-K310 HydrophobicContact CZ2-CD 3.83Å; W288-K310 HydrophobicContact CZ2-CG 4.47Å; W288-K310 HydrophobicContact CZ3-CB 4.25Å; W288-K310 VanDerWaalsContact NE1-CD 3.35Å; W288-L311 HydrophobicContact CE3-CB 4.12Å; W288-L311 WeakPolarHBondContact O-CB 2.91Å
289	H	93.8	Very high	90.7	Very high	1 Å²	1	42 Å²	42	1%	0.005	24%	0.235	C	C	.	.			trans	-156.3	67.4	175	-155.2	-178.8	0	0	0	112.5	S182 N227 V230 P286 L287 R291 H313	S182-H289 VanDerWaalsContact CB-ND1 3.3Å; S182-H289 WeakPolarHBondContact CB-ND1 3.33Å; N227-H289 PolarHBondContact OD1-CE1 3.15Å; N227-H289 VanDerWaalsContact OD1-CE1 3.28Å; V230-H289 VanDerWaalsContact CG2-CD2 3.49Å; V230-H289 WeakPolarHBondContact CG2-CD2 3.12Å; V230-H289 VanDerWaalsContact CG2-NE2 3.34Å; V230-H289 WeakPolarHBondContact CG2-NE2 3.29Å; P286-H289 CarbonylContact O-C 3.55Å; P286-H289 PolarHBondContact O-N 3.29Å; L287-H289 PolarHBondContact O-N 2.65Å; H289-R291 VanDerWaalsContact CD2-CG 3.49Å; H289-R291 WeakPolarHBondContact CD2-CG 3.47Å; H289-R291 WeakPolarHBondContact O-CG 3.46Å; H289-R291 PolarHBondContact O-N 2.78Å; H289-R291 VanDerWaalsContact O-N 3.17Å; H289-R291 PolarHBondContact O-NH1 3.46Å; H289-H313 AromaticContact CD2-ND1 3.62Å; H289-H313 AromaticContact NE2-CE1 3.72Å; H289-H313 AromaticContact NE2-CG 3.96Å; H289-H313 AromaticContact NE2-ND1 2.98Å; H289-H313 PolarHBondContact NE2-ND1 3.23Å
290	I	92.3	Very high	89.6	Confident	9 Å²	9	48.2 Å²	48.2	5%	0.046	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-75.7	106.6	170.6	-55.8	-49.3	0	0	0	109.2	P286 L293 F305 A309 L311 L312 H313	P286-I290 WeakPolarHBondContact O-CD1 3.44Å; I290-L293 HydrophobicContact CG2-CD1 3.86Å; I290-F305 HydrophobicContact CD1-CE1 4.32Å; I290-F305 HydrophobicContact CD1-CE2 4.29Å; I290-F305 HydrophobicContact CD1-CZ 3.69Å; I290-F305 HydrophobicContact CG1-CE1 4.43Å; I290-F305 HydrophobicContact CG1-CZ 4.27Å; I290-F305 HydrophobicContact CG2-CE1 3.55Å; I290-F305 HydrophobicContact CG2-CZ 3.94Å; I290-A309 HydrophobicContact CB-CB 4.28Å; I290-A309 HydrophobicContact CG1-CB 3.41Å; I290-A309 VanDerWaalsContact CG1-CB 3.41Å; I290-L311 WeakPolarHBondContact CB-O 3.19Å; I290-L311 PolarHBondContact N-O 3.36Å; I290-L312 HydrophobicContact CB-CD2 4.09Å; I290-L312 HydrophobicContact CG2-CD2 4.25Å; I290-H313 PolarHBondContact O-N 2.75Å
291	R	89.3	Confident	88.8	Confident	3 Å²	3	43.7 Å²	43.7	1%	0.011	22%	0.219	C	C	.	.			trans	-100.4	174.2	-172	-65.2	169.5	-48.5	-81.8	-0.4	112.2	S182 D183 D184 D186 H289 L293 N315	S182-R291 PolarHBondContact OG-NH1 3.09Å; D183-R291 PolarHBondContact O-NH1 3.37Å; D183-R291 PolarHBondContact O-NH2 3Å; D184-R291 VanDerWaalsContact OD1-CD 3.31Å; D184-R291 WeakPolarHBondContact OD1-CD 3.37Å; D184-R291 IonicContact OD1-CZ 2.66Å; D184-R291 IonicContact OD1-NE 2.75Å; D184-R291 PolarHBondContact OD1-NE 3.29Å; D184-R291 IonicContact OD1-NH2 3.99Å; D186-R291 IonicContact OD2-NH2 3.4Å; D186-R291 PolarHBondContact OD2-NH2 3.11Å; H289-R291 VanDerWaalsContact CD2-CG 3.49Å; H289-R291 WeakPolarHBondContact CD2-CG 3.47Å; H289-R291 WeakPolarHBondContact O-CG 3.46Å; H289-R291 PolarHBondContact O-N 2.78Å; H289-R291 VanDerWaalsContact O-N 3.17Å; H289-R291 PolarHBondContact O-NH1 3.46Å; R291-L293 VanDerWaalsContact C-N 3.3Å; R291-L293 PolarHBondContact O-N 2.79Å; R291-N315 WeakPolarHBondContact CA-OD1 3.17Å; R291-N315 WeakPolarHBondContact CB-OD1 3.37Å
292	H	87.3	Confident	88.1	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	22%	0.221	C	C	.	.			trans	71.7	13.2	171.2	-43.8	-63.4	0	0	0	115.8	D184 V197 G294 W295 Y301 N315	D184-H292 IonicContact OD1-CE1 3.43Å; D184-H292 PolarHBondContact OD1-CE1 3.46Å; D184-H292 IonicContact OD1-NE2 3.62Å; D184-H292 PolarHBondContact OD1-NE2 3.34Å; D184-H292 IonicContact OD2-CE1 3.21Å; V197-H292 HydrophobicContact CG1-CB 4.02Å; H292-G294 PolarHBondContact O-N 3.18Å; H292-W295 HydrophobicContact CB-CB 4.23Å; H292-W295 HydrophobicContact CB-CG 4.19Å; H292-W295 AromaticContact ND1-CD1 3.59Å; H292-W295 AromaticContact ND1-NE1 3.49Å; H292-W295 PolarHBondContact ND1-NE1 3.24Å; H292-W295 PolarHBondContact O-N 3.2Å; H292-W295 VanDerWaalsContact O-N 3.12Å; H292-Y301 PolarHBondContact O-OH 3.01Å; H292-N315 PolarHBondContact N-OD1 3.19Å
293	L	90.3	Very high	87.4	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-26.2	171.5	-79	67.5	0	0	0	111	I290 R291 Y301 L312 H313 W314 V326	I290-L293 HydrophobicContact CG2-CD1 3.86Å; R291-L293 VanDerWaalsContact C-N 3.3Å; R291-L293 PolarHBondContact O-N 2.79Å; L293-Y301 HydrophobicContact CD1-CE2 4.16Å; L293-Y301 HydrophobicContact CG-CE2 4.07Å; L293-L312 HydrophobicContact CD2-CB 4.04Å; L293-L312 HydrophobicContact CD2-CD2 4.29Å; L293-H313 PolarHBondContact N-O 3.44Å; L293-W314 HydrophobicContact CB-CB 4.45Å; L293-W314 HydrophobicContact CB-CD2 3.87Å; L293-W314 HydrophobicContact CB-CG 3.73Å; L293-W314 HydrophobicContact CD2-CD2 3.96Å; L293-W314 HydrophobicContact CD2-CE3 4.19Å; L293-W314 HydrophobicContact CD2-CH2 3.84Å; L293-W314 HydrophobicContact CD2-CZ2 3.61Å; L293-W314 HydrophobicContact CD2-CZ3 4.12Å; L293-V326 HydrophobicContact CB-CG2 4.42Å; L293-V326 WeakPolarHBondContact O-CG2 3.41Å
294	G	89.8	Confident	86.9	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-92.3	5.1	177.4	0	0	0	0	0	115.9	H292 N315 G316 R317 H318	H292-G294 PolarHBondContact O-N 3.18Å; G294-N315 CarbonylContact C-O 3.53Å; G294-N315 WeakPolarHBondContact CA-O 3.48Å; G294-N315 PolarHBondContact N-O 2.86Å; G294-G316 CarbonylContact O-C 3.52Å; G294-G316 WeakPolarHBondContact O-CA 3.44Å; G294-R317 PolarHBondContact O-N 2.88Å; G294-H318 WeakPolarHBondContact CA-O 3.06Å; G294-H318 WeakPolarHBondContact O-CB 3.44Å; G294-H318 PolarHBondContact O-N 2.92Å
295	W	86.1	Confident	86.5	Confident	80 Å²	80	49.8 Å²	49.8	30%	0.303	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-43.4	-176.1	-89.4	69.6	0	0	0	114	L199 H292	L199-W295 HydrophobicContact CD1-CB 4.43Å; L199-W295 HydrophobicContact CD1-CD2 3.18Å; L199-W295 VanDerWaalsContact CD1-CE2 3.48Å; L199-W295 HydrophobicContact CD1-CE3 3.14Å; L199-W295 HydrophobicContact CD1-CG 3.77Å; L199-W295 HydrophobicContact CD1-CH2 3.65Å; L199-W295 HydrophobicContact CD1-CZ2 3.72Å; L199-W295 HydrophobicContact CD1-CZ3 3.37Å; L199-W295 HydrophobicContact CD2-CE3 3.89Å; L199-W295 HydrophobicContact CD2-CH2 4.16Å; L199-W295 HydrophobicContact CD2-CZ3 3.54Å; L199-W295 HydrophobicContact CG-CE3 4.13Å; L199-W295 HydrophobicContact CG-CH2 4.42Å; L199-W295 HydrophobicContact CG-CZ3 4.06Å; H292-W295 HydrophobicContact CB-CB 4.23Å; H292-W295 HydrophobicContact CB-CG 4.19Å; H292-W295 AromaticContact ND1-CD1 3.59Å; H292-W295 AromaticContact ND1-NE1 3.49Å; H292-W295 PolarHBondContact ND1-NE1 3.24Å; H292-W295 PolarHBondContact O-N 3.2Å; H292-W295 VanDerWaalsContact O-N 3.12Å
296	N	82.9	Confident	86.3	Confident	63 Å²	63	45.8 Å²	45.8	34%	0.337	22%	0.223	S	C	.	.			trans	-130.4	117.9	-177.2	-179.8	-0.1	0	0	0	108.6	D298 A299	N296-D298 PolarHBondContact O-N 2.6Å; N296-D298 VanDerWaalsContact O-N 3.16Å; N296-D298 WeakPolarHBondContact OD1-CB 3.29Å; N296-D298 PolarHBondContact OD1-N 2.72Å; N296-A299 HydrophobicContact CB-CB 4.18Å; N296-A299 WeakPolarHBondContact O-CB 3.3Å; N296-A299 PolarHBondContact O-N 2.88Å
297	P	82.4	Confident	86.3	Confident	30 Å²	30	48.3 Å²	48.3	20%	0.195	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-6.7	179.8	32	-35.6	0	0	0	113.1	P324 V326	P297-P324 HydrophobicContact CB-CB 3.78Å; P297-P324 HydrophobicContact CB-CG 3.96Å; P297-P324 HydrophobicContact CG-CB 4.36Å; P297-P324 HydrophobicContact CG-CG 4.09Å; P297-V326 WeakPolarHBondContact O-CG1 3.49Å
298	D	79.1	Confident	86.2	Confident	129 Å²	129	50.5 Å²	50.5	69%	0.69	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.2	4.8	174.2	-56.4	-53.5	0	0	0	112.4	N296 R300	N296-D298 PolarHBondContact O-N 2.6Å; N296-D298 VanDerWaalsContact O-N 3.16Å; N296-D298 WeakPolarHBondContact OD1-CB 3.29Å; N296-D298 PolarHBondContact OD1-N 2.72Å; D298-R300 PolarHBondContact O-N 2.75Å
299	A	75.5	Confident	86.1	Confident	7 Å²	7	50.4 Å²	50.4	6%	0.058	24%	0.237	C	C	.	.			trans	-59.4	134	177.1	0	0	0	0	0	110.3	V197 N296 Y301 V326	V197-A299 HydrophobicContact CG2-CB 3.71Å; N296-A299 HydrophobicContact CB-CB 4.18Å; N296-A299 WeakPolarHBondContact O-CB 3.3Å; N296-A299 PolarHBondContact O-N 2.88Å; A299-Y301 HydrophobicContact CB-CD2 4.48Å; A299-Y301 HydrophobicContact CB-CE2 3.77Å; A299-V326 WeakPolarHBondContact O-CG1 3.49Å
300	R	71.6	Confident	86.3	Confident	194 Å²	194	52.7 Å²	52.7	73%	0.732	25%	0.247	S	C	*	.			trans	-116	124.1	173.5	-60.5	-167.5	-176.3	-146.6	0.4	109.2	L196 D298	L196-R300 HydrophobicContact CD1-CB 4.31Å; D298-R300 PolarHBondContact O-N 2.75Å
301	Y	80.1	Confident	86.6	Confident	15 Å²	15	52.3 Å²	52.3	6%	0.059	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-111.4	145.2	168.3	-59	-89.2	0	0	0	107.7	R195 H292 L293 A299 F305 L306 H327	R195-Y301 HydrophobicContact CG-CE1 4.15Å; H292-Y301 PolarHBondContact O-OH 3.01Å; L293-Y301 HydrophobicContact CD1-CE2 4.16Å; L293-Y301 HydrophobicContact CG-CE2 4.07Å; A299-Y301 HydrophobicContact CB-CD2 4.48Å; A299-Y301 HydrophobicContact CB-CE2 3.77Å; Y301-F305 HydrophobicContact CD1-CD1 4.07Å; Y301-F305 AromaticContact CD1-CE1 3.82Å; Y301-F305 HydrophobicContact CD1-CE1 3.82Å; Y301-F305 HydrophobicContact CE1-CE1 4.45Å; Y301-L306 HydrophobicContact CG-CD2 4.25Å; Y301-H327 AromaticContact CD2-CD2 3.96Å; Y301-H327 AromaticContact CD2-NE2 3.49Å; Y301-H327 WeakPolarHBondContact CD2-NE2 3.44Å
302	S	83.6	Confident	86.9	Confident	30 Å²	30	52.1 Å²	52.1	21%	0.21	24%	0.244	C	C	.	.			trans	-69.9	144.9	174.8	66.8	0	0	0	0	110.2	H304 F305 L306	S302-H304 VanDerWaalsContact C-N 3.27Å; S302-H304 PolarHBondContact O-N 3.21Å; S302-F305 WeakPolarHBondContact O-CB 3.48Å; S302-F305 PolarHBondContact O-N 2.93Å; S302-F305 VanDerWaalsContact O-N 3.07Å; S302-F305 VanDerWaalsContact OG-CB 3.25Å; S302-F305 WeakPolarHBondContact OG-CB 3.11Å; S302-F305 PolarHBondContact OG-N 3.4Å; S302-L306 PolarHBondContact O-N 3.05Å; S302-L306 VanDerWaalsContact O-N 3.11Å
303	E	85.1	Confident	87.3	Confident	96 Å²	96	52.1 Å²	52.1	45%	0.449	24%	0.244	S	C	.	.	H	α-helix	trans	-56.1	-43.9	178.5	-176.3	57.8	-151.9	0	0	111.7	F305 L306 Q307	E303-F305 VanDerWaalsContact C-N 3.31Å; E303-F305 PolarHBondContact O-N 3.06Å; E303-L306 PolarHBondContact O-N 3.33Å; E303-L306 VanDerWaalsContact O-N 3.16Å; E303-Q307 VanDerWaalsContact O-CG 3.31Å; E303-Q307 WeakPolarHBondContact O-CG 3.42Å; E303-Q307 PolarHBondContact O-N 3.07Å; E303-Q307 PolarHBondContact OE1-NE2 3.36Å
304	H	86.1	Confident	87.5	Confident	119 Å²	119	52.1 Å²	52.1	55%	0.551	24%	0.244	S	C	*	.	H	α-helix	trans	-56.1	-43.5	175.5	-175.7	-78.9	0	0	0	112.6	S302 L306 Q307 E308	S302-H304 VanDerWaalsContact C-N 3.27Å; S302-H304 PolarHBondContact O-N 3.21Å; H304-L306 VanDerWaalsContact C-N 3.35Å; H304-Q307 PolarHBondContact O-N 3.09Å; H304-E308 IonicContact CE1-OE1 3.02Å; H304-E308 PolarHBondContact CE1-OE1 3.07Å; H304-E308 IonicContact CE1-OE2 2.86Å; H304-E308 PolarHBondContact CE1-OE2 3.37Å; H304-E308 IonicContact ND1-OE2 3Å; H304-E308 PolarHBondContact ND1-OE2 2.86Å; H304-E308 WeakPolarHBondContact O-CG 3.31Å; H304-E308 PolarHBondContact O-N 3.3Å
305	F	86.5	Confident	87.5	Confident	38 Å²	38	52.8 Å²	52.8	17%	0.167	25%	0.248	C	C	.	.	H	α-helix	trans	-65.8	-39.9	179.3	173.5	-98.5	0	0	0	111.8	I290 Y301 S302 E303 Q307 E308 A309	I290-F305 HydrophobicContact CD1-CE1 4.32Å; I290-F305 HydrophobicContact CD1-CE2 4.29Å; I290-F305 HydrophobicContact CD1-CZ 3.69Å; I290-F305 HydrophobicContact CG1-CE1 4.43Å; I290-F305 HydrophobicContact CG1-CZ 4.27Å; I290-F305 HydrophobicContact CG2-CE1 3.55Å; I290-F305 HydrophobicContact CG2-CZ 3.94Å; Y301-F305 HydrophobicContact CD1-CD1 4.07Å; Y301-F305 AromaticContact CD1-CE1 3.82Å; Y301-F305 HydrophobicContact CD1-CE1 3.82Å; Y301-F305 HydrophobicContact CE1-CE1 4.45Å; S302-F305 WeakPolarHBondContact O-CB 3.48Å; S302-F305 PolarHBondContact O-N 2.93Å; S302-F305 VanDerWaalsContact O-N 3.07Å; S302-F305 VanDerWaalsContact OG-CB 3.25Å; S302-F305 WeakPolarHBondContact OG-CB 3.11Å; S302-F305 PolarHBondContact OG-N 3.4Å; E303-F305 VanDerWaalsContact C-N 3.31Å; E303-F305 PolarHBondContact O-N 3.06Å; F305-Q307 VanDerWaalsContact C-N 3.32Å; F305-E308 PolarHBondContact O-N 2.66Å; F305-A309 PolarHBondContact O-N 3.23Å
306	L	90	Very high	87.6	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.01	25%	0.25	C	S	.	.	H	α-helix	trans	-67.8	-33.3	176.6	-63.9	173.3	0	0	0	111.9	Q162 Y301 S302 E303 H304 A309 L312 H327 L330	Q162-L306 PolarHBondContact NE2-O 3.05Å; Y301-L306 HydrophobicContact CG-CD2 4.25Å; S302-L306 PolarHBondContact O-N 3.05Å; S302-L306 VanDerWaalsContact O-N 3.11Å; E303-L306 PolarHBondContact O-N 3.33Å; E303-L306 VanDerWaalsContact O-N 3.16Å; H304-L306 VanDerWaalsContact C-N 3.35Å; L306-A309 WeakPolarHBondContact O-CB 3.44Å; L306-A309 PolarHBondContact O-N 2.92Å; L306-L312 HydrophobicContact CD2-CD2 3.86Å; L306-H327 WeakPolarHBondContact CD1-CE1 3.45Å; L306-H327 WeakPolarHBondContact CD1-ND1 3.35Å; L306-L330 HydrophobicContact CB-CD1 4.26Å; L306-L330 HydrophobicContact CD1-CD1 4Å
307	Q	89.6	Confident	87.8	Confident	129 Å²	129	58.3 Å²	58.3	60%	0.603	27%	0.274	S	S	*	.	H	α-helix	trans	-70.3	-33.8	175.5	-71.9	173.8	-0.6	0	0	113	E303 H304 F305 A309	E303-Q307 VanDerWaalsContact O-CG 3.31Å; E303-Q307 WeakPolarHBondContact O-CG 3.42Å; E303-Q307 PolarHBondContact O-N 3.07Å; E303-Q307 PolarHBondContact OE1-NE2 3.36Å; H304-Q307 PolarHBondContact O-N 3.09Å; F305-Q307 VanDerWaalsContact C-N 3.32Å; Q307-A309 VanDerWaalsContact C-N 3.32Å
308	E	92.3	Very high	88.2	Confident	108 Å²	108	58.6 Å²	58.6	51%	0.505	27%	0.273	S	S	.	.	H	α-helix	trans	-77.4	-18.5	175.8	-71	-175.1	125.3	0	0	113.5	H304 F305	H304-E308 IonicContact CE1-OE1 3.02Å; H304-E308 PolarHBondContact CE1-OE1 3.07Å; H304-E308 IonicContact CE1-OE2 2.86Å; H304-E308 PolarHBondContact CE1-OE2 3.37Å; H304-E308 IonicContact ND1-OE2 3Å; H304-E308 PolarHBondContact ND1-OE2 2.86Å; H304-E308 WeakPolarHBondContact O-CG 3.31Å; H304-E308 PolarHBondContact O-N 3.3Å; F305-E308 PolarHBondContact O-N 2.66Å
309	A	94.5	Very high	88.9	Confident	4 Å²	4	53.7 Å²	53.7	3%	0.033	25%	0.245	C	C	.	.			trans	-64.4	135.1	177.8	0	0	0	0	0	111.4	Q162 I290 F305 L306 Q307 L312	Q162-A309 PolarHBondContact NE2-O 3.16Å; I290-A309 HydrophobicContact CB-CB 4.28Å; I290-A309 HydrophobicContact CG1-CB 3.41Å; I290-A309 VanDerWaalsContact CG1-CB 3.41Å; F305-A309 PolarHBondContact O-N 3.23Å; L306-A309 WeakPolarHBondContact O-CB 3.44Å; L306-A309 PolarHBondContact O-N 2.92Å; Q307-A309 VanDerWaalsContact C-N 3.32Å; A309-L312 HydrophobicContact CB-CD2 3.54Å; A309-L312 HydrophobicContact CB-CG 4.4Å
310	K	97.8	Very high	89.7	Confident	50 Å²	50	53.3 Å²	53.3	22%	0.217	24%	0.243	C	C	.	.	S	Bend	trans	-91	-25.4	174	-62	-169.8	176.8	-162.1	0	112.4	Q162 G163 E167 L287 W288	Q162-K310 PolarHBondContact N-O 3.11Å; G163-K310 PolarHBondContact N-O 2.58Å; E167-K310 IonicContact OE1-NZ 3.83Å; E167-K310 PolarHBondContact OE1-NZ 2.77Å; E167-K310 IonicContact OE2-NZ 3.07Å; E167-K310 PolarHBondContact OE2-NZ 3.47Å; L287-K310 HydrophobicContact CB-CG 4.25Å; L287-K310 WeakPolarHBondContact O-CA 3.26Å; L287-K310 PolarHBondContact O-N 3.5Å; W288-K310 HydrophobicContact CD2-CB 3.68Å; W288-K310 HydrophobicContact CD2-CD 4.29Å; W288-K310 HydrophobicContact CE3-CB 3.96Å; W288-K310 HydrophobicContact CG-CB 4.11Å; W288-K310 HydrophobicContact CG-CD 4.47Å; W288-K310 HydrophobicContact CH2-CB 4.24Å; W288-K310 HydrophobicContact CZ2-CB 3.99Å; W288-K310 HydrophobicContact CZ2-CD 3.83Å; W288-K310 HydrophobicContact CZ2-CG 4.47Å; W288-K310 HydrophobicContact CZ3-CB 4.25Å; W288-K310 VanDerWaalsContact NE1-CD 3.35Å
311	L	98.2	Very high	90.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	128.9	174.5	-176.6	159.6	0	0	0	110.4	L155 V159 I160 V161 V230 L287 W288 I290 H313	L155-L311 HydrophobicContact CD2-CD1 3.88Å; V159-L311 HydrophobicContact CB-CD2 4.06Å; V159-L311 HydrophobicContact CB-CG 4.3Å; V159-L311 HydrophobicContact CG1-CD2 4Å; I160-L311 CarbonylContact O-C 3.56Å; I160-L311 WeakPolarHBondContact O-CA 3.26Å; V161-L311 HydrophobicContact CG2-CD1 3.91Å; V161-L311 HydrophobicContact CG2-CG 4.17Å; V230-L311 HydrophobicContact CG1-CD1 4.47Å; V230-L311 HydrophobicContact CG2-CD1 3.74Å; V230-L311 HydrophobicContact CG2-CD2 3.95Å; L287-L311 PolarHBondContact O-N 2.76Å; L287-L311 VanDerWaalsContact O-N 3.16Å; W288-L311 HydrophobicContact CE3-CB 4.12Å; W288-L311 WeakPolarHBondContact O-CB 2.91Å; I290-L311 WeakPolarHBondContact CB-O 3.19Å; I290-L311 PolarHBondContact N-O 3.36Å; L311-H313 HydrophobicContact CD2-CB 4.1Å
312	L	96.9	Very high	91.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	134.9	175.7	-58.2	175	0	0	0	109.4	V159 I160 I290 L293 L306 A309 W314 L330	V159-L312 CarbonylContact C-O 3.47Å; V159-L312 WeakPolarHBondContact CA-O 3.5Å; I160-L312 HydrophobicContact CB-CB 4.45Å; I160-L312 PolarHBondContact N-O 2.52Å; I160-L312 PolarHBondContact O-N 3.43Å; I290-L312 HydrophobicContact CB-CD2 4.09Å; I290-L312 HydrophobicContact CG2-CD2 4.25Å; L293-L312 HydrophobicContact CD2-CB 4.04Å; L293-L312 HydrophobicContact CD2-CD2 4.29Å; L306-L312 HydrophobicContact CD2-CD2 3.86Å; A309-L312 HydrophobicContact CB-CD2 3.54Å; A309-L312 HydrophobicContact CB-CG 4.4Å; L312-W314 HydrophobicContact CB-CE3 4.43Å; L312-W314 HydrophobicContact CB-CH2 4.05Å; L312-W314 HydrophobicContact CB-CZ3 3.64Å; L312-W314 HydrophobicContact CD1-CH2 4.07Å; L312-W314 HydrophobicContact CD1-CZ3 4.44Å; L312-L330 HydrophobicContact CD1-CB 4.39Å; L312-L330 HydrophobicContact CD1-CD1 3.59Å
313	H	95.8	Very high	91.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	115.7	-176.2	-172.1	-172.7	0	0	0	110.9	D156 D158 V159 H289 I290 L293 L311 N315	D156-H313 IonicContact OD2-CE1 3.44Å; D156-H313 IonicContact OD2-NE2 3.31Å; D158-H313 PolarHBondContact O-CD2 2.91Å; D158-H313 IonicContact OD1-CD2 2.82Å; D158-H313 PolarHBondContact OD1-CD2 3.12Å; D158-H313 IonicContact OD1-NE2 3.56Å; D158-H313 PolarHBondContact OD1-NE2 3.04Å; D158-H313 VanDerWaalsContact OD1-NE2 3.12Å; V159-H313 HydrophobicContact CG1-CB 4.18Å; H289-H313 AromaticContact CD2-ND1 3.62Å; H289-H313 AromaticContact NE2-CE1 3.72Å; H289-H313 AromaticContact NE2-CG 3.96Å; H289-H313 AromaticContact NE2-ND1 2.98Å; H289-H313 PolarHBondContact NE2-ND1 3.23Å; I290-H313 PolarHBondContact O-N 2.75Å; L293-H313 PolarHBondContact N-O 3.44Å; L311-H313 HydrophobicContact CD2-CB 4.1Å; H313-N315 PolarHBondContact CD2-N 3.22Å; H313-N315 VanDerWaalsContact CD2-N 3.33Å; H313-N315 PolarHBondContact O-N 3.41Å; H313-N315 VanDerWaalsContact O-N 3.08Å; H313-N315 PolarHBondContact O-OD1 3.49Å; H313-N315 VanDerWaalsContact O-OD1 3.09Å
314	W	94.4	Very high	91.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.234	C	C	.	.			trans	-83.7	43.3	172	-74.2	-105.3	0	0	0	111.3	D158 I160 L293 L312 G316 K319 P320 V326 H327 L330 W331	D158-W314 HydrophobicContact CB-CB 4.5Å; D158-W314 PolarHBondContact O-N 3.36Å; I160-W314 HydrophobicContact CB-CZ3 4.12Å; I160-W314 HydrophobicContact CG1-CH2 4.3Å; I160-W314 HydrophobicContact CG1-CZ3 3.79Å; L293-W314 HydrophobicContact CB-CB 4.45Å; L293-W314 HydrophobicContact CB-CD2 3.87Å; L293-W314 HydrophobicContact CB-CG 3.73Å; L293-W314 HydrophobicContact CD2-CD2 3.96Å; L293-W314 HydrophobicContact CD2-CE3 4.19Å; L293-W314 HydrophobicContact CD2-CH2 3.84Å; L293-W314 HydrophobicContact CD2-CZ2 3.61Å; L293-W314 HydrophobicContact CD2-CZ3 4.12Å; L312-W314 HydrophobicContact CB-CE3 4.43Å; L312-W314 HydrophobicContact CB-CH2 4.05Å; L312-W314 HydrophobicContact CB-CZ3 3.64Å; L312-W314 HydrophobicContact CD1-CH2 4.07Å; L312-W314 HydrophobicContact CD1-CZ3 4.44Å; W314-G316 PolarHBondContact O-N 3.12Å; W314-K319 PolarHBondContact O-NZ 2.86Å; W314-P320 HydrophobicContact CB-CG 4.35Å; W314-P320 HydrophobicContact CD2-CB 4.26Å; W314-P320 HydrophobicContact CD2-CG 3.81Å; W314-P320 HydrophobicContact CE3-CG 4.28Å; W314-P320 HydrophobicContact CG-CB 4.39Å; W314-P320 HydrophobicContact CG-CG 3.85Å; W314-P320 HydrophobicContact CZ2-CB 4.36Å; W314-V326 PolarHBondContact NE1-O 2.9Å; W314-H327 HydrophobicContact CZ2-CB 3.97Å; W314-H327 WeakPolarHBondContact CZ2-O 3.37Å; W314-L330 HydrophobicContact CH2-CB 4.27Å; W314-W331 HydrophobicContact CE3-CE3 4.15Å; W314-W331 HydrophobicContact CE3-CZ3 4.46Å; W314-W331 HydrophobicContact CZ3-CE3 4.11Å
315	N	89.1	Confident	92	Very high	15 Å²	15	44.3 Å²	44.3	8%	0.08	21%	0.212	C	C	.	.			trans	-59.7	129.4	170.6	56.8	-53.2	0	0	0	108.2	R291 H292 G294 H313	R291-N315 WeakPolarHBondContact CA-OD1 3.17Å; R291-N315 WeakPolarHBondContact CB-OD1 3.37Å; H292-N315 PolarHBondContact N-OD1 3.19Å; G294-N315 CarbonylContact C-O 3.53Å; G294-N315 WeakPolarHBondContact CA-O 3.48Å; G294-N315 PolarHBondContact N-O 2.86Å; H313-N315 PolarHBondContact CD2-N 3.22Å; H313-N315 VanDerWaalsContact CD2-N 3.33Å; H313-N315 PolarHBondContact O-N 3.41Å; H313-N315 VanDerWaalsContact O-N 3.08Å; H313-N315 PolarHBondContact O-OD1 3.49Å; H313-N315 VanDerWaalsContact O-OD1 3.09Å
316	G	87.8	Confident	92.1	Very high	35 Å²	35	43.1 Å²	43.1	36%	0.361	21%	0.208	S	C	.	.	B	Isolated β-bridge	trans	130.9	-167.2	-172.9	0	0	0	0	0	112.7	G294 W314 K319	G294-G316 CarbonylContact O-C 3.52Å; G294-G316 WeakPolarHBondContact O-CA 3.44Å; W314-G316 PolarHBondContact O-N 3.12Å; G316-K319 WeakPolarHBondContact O-CE 3.18Å; G316-K319 PolarHBondContact O-NZ 3.12Å
317	R	87.6	Confident	92.1	Very high	224 Å²	224	44.8 Å²	44.8	85%	0.845	22%	0.216	S	C	*	.	S	Bend	trans	-87.2	-33	-174.3	-177.2	178.8	179	-176.4	-0.5	112.8	G294	G294-R317 PolarHBondContact O-N 2.88Å
318	H	91.6	Very high	92.1	Very high	36 Å²	36	40.1 Å²	40.1	17%	0.167	20%	0.195	C	C	.	.			trans	-85.3	118.1	-176.5	-62.9	-79.5	0	0	0	108.7	G294 P324	G294-H318 WeakPolarHBondContact CA-O 3.06Å; G294-H318 WeakPolarHBondContact O-CB 3.44Å; G294-H318 PolarHBondContact O-N 2.92Å; H318-P324 WeakPolarHBondContact CB-O 3.49Å; H318-P324 PolarHBondContact ND1-O 3.24Å
319	K	93.6	Very high	92.1	Very high	25 Å²	25	39.2 Å²	39.2	11%	0.109	19%	0.194	C	C	.	.			trans	-111.8	141.3	-175.3	-60.9	-58.3	175.6	-166.6	0	110	D158 W314 G316 W321 D322 S325	D158-K319 HydrophobicContact CB-CD 4.49Å; D158-K319 IonicContact OD2-NZ 3.09Å; D158-K319 PolarHBondContact OD2-NZ 3.11Å; W314-K319 PolarHBondContact O-NZ 2.86Å; G316-K319 WeakPolarHBondContact O-CE 3.18Å; G316-K319 PolarHBondContact O-NZ 3.12Å; K319-W321 HydrophobicContact CB-CD2 3.78Å; K319-W321 VanDerWaalsContact CB-CE2 3.45Å; K319-W321 HydrophobicContact CB-CE3 4.11Å; K319-W321 HydrophobicContact CB-CG 4.35Å; K319-W321 HydrophobicContact CB-CH2 4.05Å; K319-W321 HydrophobicContact CB-CZ2 3.64Å; K319-W321 HydrophobicContact CB-CZ3 4.22Å; K319-W321 HydrophobicContact CD-CH2 3.8Å; K319-W321 HydrophobicContact CD-CZ2 3.82Å; K319-W321 HydrophobicContact CD-CZ3 4.41Å; K319-W321 HydrophobicContact CG-CH2 4.07Å; K319-W321 HydrophobicContact CG-CZ2 3.59Å; K319-W321 PolarHBondContact O-N 2.92Å; K319-W321 VanDerWaalsContact O-N 3.09Å; K319-D322 CarbonylContact O-C 3.57Å; K319-D322 PolarHBondContact O-N 3.42Å; K319-S325 WeakPolarHBondContact O-CB 3.43Å; K319-S325 PolarHBondContact O-OG 3.16Å
320	P	92.8	Very high	92	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-12.7	-173.2	26	-33.1	0	0	0	114.4	W314 S325 W331	W314-P320 HydrophobicContact CB-CG 4.35Å; W314-P320 HydrophobicContact CD2-CB 4.26Å; W314-P320 HydrophobicContact CD2-CG 3.81Å; W314-P320 HydrophobicContact CE3-CG 4.28Å; W314-P320 HydrophobicContact CG-CB 4.39Å; W314-P320 HydrophobicContact CG-CG 3.85Å; W314-P320 HydrophobicContact CZ2-CB 4.36Å; P320-S325 VanDerWaalsContact CA-OG 3.31Å; P320-S325 WeakPolarHBondContact CA-OG 3.3Å; P320-W331 HydrophobicContact CB-CB 3.56Å; P320-W331 HydrophobicContact CB-CD2 3.85Å; P320-W331 HydrophobicContact CB-CE3 4.15Å; P320-W331 HydrophobicContact CB-CG 3.58Å; P320-W331 HydrophobicContact CG-CB 4.01Å; P320-W331 HydrophobicContact CG-CD2 3.28Å; P320-W331 HydrophobicContact CG-CE3 3.26Å; P320-W331 HydrophobicContact CG-CG 3.61Å; P320-W331 HydrophobicContact CG-CH2 4.37Å; P320-W331 HydrophobicContact CG-CZ2 4.3Å; P320-W331 HydrophobicContact CG-CZ3 3.87Å
321	W	92.9	Very high	91.9	Very high	11 Å²	11	37.8 Å²	37.8	4%	0.042	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	0.2	172	57.6	82.5	0	0	0	114.1	R61 A64 D158 K319 W331 F343 L345 N346	R61-W321 HydrophobicContact CG-CZ2 4.44Å; A64-W321 HydrophobicContact CB-CD2 4.47Å; A64-W321 HydrophobicContact CB-CE3 3.94Å; A64-W321 HydrophobicContact CB-CH2 3.38Å; A64-W321 HydrophobicContact CB-CZ2 4.02Å; A64-W321 HydrophobicContact CB-CZ3 3.38Å; D158-W321 HydrophobicContact CB-CH2 3.89Å; D158-W321 HydrophobicContact CB-CZ3 4.14Å; K319-W321 HydrophobicContact CB-CD2 3.78Å; K319-W321 VanDerWaalsContact CB-CE2 3.45Å; K319-W321 HydrophobicContact CB-CE3 4.11Å; K319-W321 HydrophobicContact CB-CG 4.35Å; K319-W321 HydrophobicContact CB-CH2 4.05Å; K319-W321 HydrophobicContact CB-CZ2 3.64Å; K319-W321 HydrophobicContact CB-CZ3 4.22Å; K319-W321 HydrophobicContact CD-CH2 3.8Å; K319-W321 HydrophobicContact CD-CZ2 3.82Å; K319-W321 HydrophobicContact CD-CZ3 4.41Å; K319-W321 HydrophobicContact CG-CH2 4.07Å; K319-W321 HydrophobicContact CG-CZ2 3.59Å; K319-W321 PolarHBondContact O-N 2.92Å; K319-W321 VanDerWaalsContact O-N 3.09Å; W321-W331 HydrophobicContact CD2-CZ2 4.36Å; W321-W331 HydrophobicContact CE3-CD2 4.42Å; W321-W331 AromaticContact CE3-CE2 3.61Å; W321-W331 AromaticContact CE3-CH2 3.76Å; W321-W331 HydrophobicContact CE3-CH2 3.76Å; W321-W331 AromaticContact CE3-CZ2 3.17Å; W321-W331 HydrophobicContact CE3-CZ2 3.17Å; W321-W331 HydrophobicContact CH2-CH2 4.42Å; W321-W331 HydrophobicContact CH2-CZ2 4.49Å; W321-W331 AromaticContact CZ3-CH2 3.33Å; W321-W331 HydrophobicContact CZ3-CH2 3.33Å; W321-W331 AromaticContact CZ3-CZ2 3.28Å; W321-W331 HydrophobicContact CZ3-CZ2 3.28Å; W321-W331 HydrophobicContact CZ3-CZ3 4.07Å; W321-F343 HydrophobicContact CB-CE1 4.03Å; W321-F343 HydrophobicContact CB-CZ 3.79Å; W321-F343 AromaticContact CD1-CZ 3.72Å; W321-F343 AromaticContact CD2-CZ 3.93Å; W321-F343 HydrophobicContact CD2-CZ 3.93Å; W321-F343 HydrophobicContact CG-CE1 4.25Å; W321-F343 HydrophobicContact CG-CE2 4.34Å; W321-F343 AromaticContact CG-CZ 3.51Å; W321-F343 HydrophobicContact CG-CZ 3.51Å; W321-L345 HydrophobicContact CB-CD2 3.58Å; W321-N346 PolarHBondContact O-N 3.45Å
322	D	91.7	Very high	91.7	Very high	62 Å²	62	41.9 Å²	41.9	33%	0.332	21%	0.207	S	C	.	.	S	Bend	trans	-130.2	161.2	179	-75.6	-43.1	0	0	0	111.1	K319 S325 N346	K319-D322 CarbonylContact O-C 3.57Å; K319-D322 PolarHBondContact O-N 3.42Å; D322-S325 WeakPolarHBondContact O-CB 3.25Å; D322-N346 PolarHBondContact OD1-ND2 3.17Å
323	F	87.5	Confident	91.7	Very high	126 Å²	126	45.9 Å²	45.9	55%	0.553	23%	0.234	S	C	*	.	S	Bend	trans	-104.9	141.4	174.7	-176.7	-87.6	0	0	0	111.9	H348	F323-H348 AromaticContact CD1-CD2 3.12Å; F323-H348 WeakPolarHBondContact CD1-CD2 3.36Å; F323-H348 AromaticContact CD1-NE2 2.99Å; F323-H348 WeakPolarHBondContact CD1-NE2 3.45Å; F323-H348 AromaticContact CD2-CD2 3.47Å; F323-H348 VanDerWaalsContact CD2-CD2 3.47Å; F323-H348 WeakPolarHBondContact CD2-CD2 3.28Å; F323-H348 AromaticContact CE1-CD2 3.32Å; F323-H348 WeakPolarHBondContact CE1-CD2 3.31Å; F323-H348 AromaticContact CE1-NE2 3.31Å; F323-H348 VanDerWaalsContact CE1-NE2 3.31Å; F323-H348 WeakPolarHBondContact CE1-NE2 3.32Å; F323-H348 AromaticContact CE2-CD2 3.68Å; F323-H348 AromaticContact CG-CD2 3.18Å; F323-H348 WeakPolarHBondContact CG-CD2 3.1Å; F323-H348 AromaticContact CG-NE2 3.51Å; F323-H348 AromaticContact CZ-CD2 3.59Å
324	P	91	Very high	91.8	Very high	51 Å²	51	48.1 Å²	48.1	33%	0.331	24%	0.243	S	C	.	.	S	Bend	cis	-85.1	148.1	-4.7	33.8	-34.1	0	0	0	112.5	P297 H318	P297-P324 HydrophobicContact CB-CB 3.78Å; P297-P324 HydrophobicContact CB-CG 3.96Å; P297-P324 HydrophobicContact CG-CB 4.36Å; P297-P324 HydrophobicContact CG-CG 4.09Å; H318-P324 WeakPolarHBondContact CB-O 3.49Å; H318-P324 PolarHBondContact ND1-O 3.24Å
325	S	90.1	Very high	91.9	Very high	15 Å²	15	50 Å²	50	11%	0.105	25%	0.251	C	S	.	.			trans	-156.3	160.9	178.1	178.7	0	0	0	0	111.3	K319 P320 D322 N328	K319-S325 WeakPolarHBondContact O-CB 3.43Å; K319-S325 PolarHBondContact O-OG 3.16Å; P320-S325 VanDerWaalsContact CA-OG 3.31Å; P320-S325 WeakPolarHBondContact CA-OG 3.3Å; D322-S325 WeakPolarHBondContact O-CB 3.25Å; S325-N328 WeakPolarHBondContact CB-OD1 3.42Å; S325-N328 PolarHBondContact OG-OD1 2.99Å
326	V	88.8	Confident	92.3	Very high	12 Å²	12	49.3 Å²	49.3	7%	0.073	25%	0.247	C	C	.	.	S	Bend	trans	-105.1	153.2	177.8	-62.8	0	0	0	0	111.6	L293 P297 A299 W314 N328	L293-V326 HydrophobicContact CB-CG2 4.42Å; L293-V326 WeakPolarHBondContact O-CG2 3.41Å; P297-V326 WeakPolarHBondContact O-CG1 3.49Å; A299-V326 WeakPolarHBondContact O-CG1 3.49Å; W314-V326 PolarHBondContact NE1-O 2.9Å; V326-N328 PolarHBondContact O-N 3.33Å; V326-N328 PolarHBondContact O-OD1 2.97Å
327	H	89.4	Confident	92.7	Very high	38 Å²	38	51.8 Å²	51.8	18%	0.176	26%	0.258	C	S	.	.			trans	54.8	38.4	172.9	-54.8	-63.9	0	0	0	113.5	Y301 L306 W314 D329 L330	Y301-H327 AromaticContact CD2-CD2 3.96Å; Y301-H327 AromaticContact CD2-NE2 3.49Å; Y301-H327 WeakPolarHBondContact CD2-NE2 3.44Å; L306-H327 WeakPolarHBondContact CD1-CE1 3.45Å; L306-H327 WeakPolarHBondContact CD1-ND1 3.35Å; W314-H327 HydrophobicContact CZ2-CB 3.97Å; W314-H327 WeakPolarHBondContact CZ2-O 3.37Å; H327-D329 VanDerWaalsContact CA-OD1 3.3Å; H327-D329 WeakPolarHBondContact CA-OD1 3.29Å; H327-D329 PolarHBondContact O-N 3.12Å; H327-L330 HydrophobicContact CB-CD1 4.01Å; H327-L330 HydrophobicContact CB-CG 4.3Å; H327-L330 WeakPolarHBondContact O-CB 2.99Å; H327-L330 PolarHBondContact O-N 3.45Å
328	N	90.4	Very high	93.1	Very high	31 Å²	31	41.9 Å²	41.9	17%	0.166	22%	0.221	C	C	.	.	H	α-helix	trans	-63.3	-29.6	-177.7	-56.7	-25.8	0	0	0	111.6	S325 V326 L330 W331 E332	S325-N328 WeakPolarHBondContact CB-OD1 3.42Å; S325-N328 PolarHBondContact OG-OD1 2.99Å; V326-N328 PolarHBondContact O-N 3.33Å; V326-N328 PolarHBondContact O-OD1 2.97Å; N328-L330 VanDerWaalsContact C-N 3.32Å; N328-L330 PolarHBondContact O-N 2.92Å; N328-W331 CarbonylContact O-C 3.35Å; N328-W331 WeakPolarHBondContact O-CA 3.22Å; N328-W331 WeakPolarHBondContact O-CB 3.46Å; N328-W331 PolarHBondContact O-N 3.4Å; N328-E332 WeakPolarHBondContact O-CB 3.26Å; N328-E332 VanDerWaalsContact O-CG 3.29Å; N328-E332 WeakPolarHBondContact O-CG 3.43Å; N328-E332 PolarHBondContact O-N 2.79Å
329	D	91.4	Very high	93.2	Very high	89 Å²	89	43.6 Å²	43.6	48%	0.476	24%	0.236	S	C	.	.	H	α-helix	trans	-58.2	-40.5	174.6	57.5	-54.6	0	0	0	112.8	H327 W331 E332 S333	H327-D329 VanDerWaalsContact CA-OD1 3.3Å; H327-D329 WeakPolarHBondContact CA-OD1 3.29Å; H327-D329 PolarHBondContact O-N 3.12Å; D329-W331 PolarHBondContact O-N 3.25Å; D329-E332 PolarHBondContact O-N 3.42Å; D329-S333 PolarHBondContact O-N 3.3Å; D329-S333 PolarHBondContact O-OG 3.26Å
330	L	93.5	Very high	93.1	Very high	24 Å²	24	45.6 Å²	45.6	13%	0.126	26%	0.256	C	S	.	.	H	α-helix	trans	-64.4	-32	174.9	-63.5	-177.1	0	0	0	111.7	L306 L312 W314 H327 N328	L306-L330 HydrophobicContact CB-CD1 4.26Å; L306-L330 HydrophobicContact CD1-CD1 4Å; L312-L330 HydrophobicContact CD1-CB 4.39Å; L312-L330 HydrophobicContact CD1-CD1 3.59Å; W314-L330 HydrophobicContact CH2-CB 4.27Å; H327-L330 HydrophobicContact CB-CD1 4.01Å; H327-L330 HydrophobicContact CB-CG 4.3Å; H327-L330 WeakPolarHBondContact O-CB 2.99Å; H327-L330 PolarHBondContact O-N 3.45Å; N328-L330 VanDerWaalsContact C-N 3.32Å; N328-L330 PolarHBondContact O-N 2.92Å
331	W	95.1	Very high	93	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-80.9	-44.7	177	-178.7	-87.6	0	0	0	113	A64 A67 I160 W314 P320 W321 N328 D329 S333 W334 F335	A64-W331 VanDerWaalsContact CA-CZ2 3.49Å; A64-W331 HydrophobicContact CB-CH2 3.73Å; A64-W331 HydrophobicContact CB-CZ2 3.66Å; A67-W331 HydrophobicContact CB-CD2 4.48Å; A67-W331 HydrophobicContact CB-CH2 4.15Å; A67-W331 HydrophobicContact CB-CZ2 3.72Å; I160-W331 HydrophobicContact CD1-CD2 4.16Å; I160-W331 HydrophobicContact CD1-CE3 3.61Å; I160-W331 HydrophobicContact CD1-CZ3 3.89Å; I160-W331 HydrophobicContact CG1-CD2 4.36Å; I160-W331 HydrophobicContact CG1-CE3 3.52Å; I160-W331 HydrophobicContact CG1-CZ3 3.97Å; W314-W331 HydrophobicContact CE3-CE3 4.15Å; W314-W331 HydrophobicContact CE3-CZ3 4.46Å; W314-W331 HydrophobicContact CZ3-CE3 4.11Å; P320-W331 HydrophobicContact CB-CB 3.56Å; P320-W331 HydrophobicContact CB-CD2 3.85Å; P320-W331 HydrophobicContact CB-CE3 4.15Å; P320-W331 HydrophobicContact CB-CG 3.58Å; P320-W331 HydrophobicContact CG-CB 4.01Å; P320-W331 HydrophobicContact CG-CD2 3.28Å; P320-W331 HydrophobicContact CG-CE3 3.26Å; P320-W331 HydrophobicContact CG-CG 3.61Å; P320-W331 HydrophobicContact CG-CH2 4.37Å; P320-W331 HydrophobicContact CG-CZ2 4.3Å; P320-W331 HydrophobicContact CG-CZ3 3.87Å; W321-W331 HydrophobicContact CD2-CZ2 4.36Å; W321-W331 HydrophobicContact CE3-CD2 4.42Å; W321-W331 AromaticContact CE3-CE2 3.61Å; W321-W331 AromaticContact CE3-CH2 3.76Å; W321-W331 HydrophobicContact CE3-CH2 3.76Å; W321-W331 AromaticContact CE3-CZ2 3.17Å; W321-W331 HydrophobicContact CE3-CZ2 3.17Å; W321-W331 HydrophobicContact CH2-CH2 4.42Å; W321-W331 HydrophobicContact CH2-CZ2 4.49Å; W321-W331 AromaticContact CZ3-CH2 3.33Å; W321-W331 HydrophobicContact CZ3-CH2 3.33Å; W321-W331 AromaticContact CZ3-CZ2 3.28Å; W321-W331 HydrophobicContact CZ3-CZ2 3.28Å; W321-W331 HydrophobicContact CZ3-CZ3 4.07Å; N328-W331 CarbonylContact O-C 3.35Å; N328-W331 WeakPolarHBondContact O-CA 3.22Å; N328-W331 WeakPolarHBondContact O-CB 3.46Å; N328-W331 PolarHBondContact O-N 3.4Å; D329-W331 PolarHBondContact O-N 3.25Å; W331-S333 PolarHBondContact O-N 3.1Å; W331-W334 PolarHBondContact O-N 3.44Å; W331-F335 PolarHBondContact O-N 3.49Å
332	E	94.9	Very high	92.9	Very high	85 Å²	85	52.3 Å²	52.3	40%	0.397	30%	0.301	S	S	.	.	H	α-helix	trans	-54.9	-37.2	-179.6	-80	170.9	-137.7	0	0	111.7	N328 D329 W334 F335 L345 H347	N328-E332 WeakPolarHBondContact O-CB 3.26Å; N328-E332 VanDerWaalsContact O-CG 3.29Å; N328-E332 WeakPolarHBondContact O-CG 3.43Å; N328-E332 PolarHBondContact O-N 2.79Å; D329-E332 PolarHBondContact O-N 3.42Å; E332-W334 PolarHBondContact O-N 3.06Å; E332-W334 VanDerWaalsContact O-N 3.12Å; E332-F335 WeakPolarHBondContact O-CB 3.17Å; E332-F335 PolarHBondContact O-N 3.19Å; E332-F335 VanDerWaalsContact O-N 3.1Å; E332-L345 HydrophobicContact CG-CD1 3.77Å; E332-H347 IonicContact OE1-CD2 3.75Å; E332-H347 IonicContact OE1-CE1 3.33Å; E332-H347 PolarHBondContact OE1-CE1 2.95Å; E332-H347 IonicContact OE1-ND1 2.96Å; E332-H347 IonicContact OE1-NE2 2.61Å; E332-H347 PolarHBondContact OE1-NE2 3.4Å; E332-H347 VanDerWaalsContact OE1-NE2 3.09Å
333	S	95.6	Very high	93	Very high	84 Å²	84	50.2 Å²	50.2	59%	0.587	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-28.9	175.1	-61.7	0	0	0	0	113.3	D329 W331	D329-S333 PolarHBondContact O-N 3.3Å; D329-S333 PolarHBondContact O-OG 3.26Å; W331-S333 PolarHBondContact O-N 3.1Å
334	W	97.6	Very high	93.1	Very high	47 Å²	47	50.8 Å²	50.8	18%	0.178	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-4.7	-178.6	-57.1	108	0	0	0	113.8	A67 N70 S74 N75 I160 W331 E332 V336	A67-W334 WeakPolarHBondContact CA-O 3.31Å; A67-W334 HydrophobicContact CB-CB 4.46Å; N70-W334 PolarHBondContact ND2-O 3.3Å; S74-W334 VanDerWaalsContact CB-CZ3 3.46Å; N75-W334 WeakPolarHBondContact ND2-CH2 3.2Å; N75-W334 WeakPolarHBondContact ND2-CZ2 3.35Å; I160-W334 HydrophobicContact CD1-CB 3.78Å; I160-W334 HydrophobicContact CD1-CG 3.94Å; I160-W334 HydrophobicContact CG2-CG 4.27Å; W331-W334 PolarHBondContact O-N 3.44Å; E332-W334 PolarHBondContact O-N 3.06Å; E332-W334 VanDerWaalsContact O-N 3.12Å; W334-V336 PolarHBondContact O-N 3.16Å
335	F	97.4	Very high	93.2	Very high	40 Å²	40	50.2 Å²	50.2	18%	0.175	29%	0.285	C	S	.	.			trans	-59	137.2	-177.1	179.6	-121	0	0	0	112.2	W331 E332 P337 F343 L345	W331-F335 PolarHBondContact O-N 3.49Å; E332-F335 WeakPolarHBondContact O-CB 3.17Å; E332-F335 PolarHBondContact O-N 3.19Å; E332-F335 VanDerWaalsContact O-N 3.1Å; F335-P337 HydrophobicContact CE1-CB 4.44Å; F335-P337 HydrophobicContact CE1-CG 4.31Å; F335-F343 AromaticContact CE2-CD1 3.81Å; F335-F343 HydrophobicContact CE2-CD1 3.81Å; F335-F343 AromaticContact CE2-CE1 3.92Å; F335-F343 HydrophobicContact CE2-CE1 3.92Å; F335-F343 HydrophobicContact CZ-CD1 4.35Å; F335-L345 HydrophobicContact CB-CD1 4.09Å; F335-L345 HydrophobicContact CD1-CD1 3.71Å; F335-L345 HydrophobicContact CD1-CG 3.99Å; F335-L345 HydrophobicContact CD2-CD1 4.3Å; F335-L345 HydrophobicContact CD2-CD2 3.77Å; F335-L345 HydrophobicContact CD2-CG 4.11Å; F335-L345 HydrophobicContact CE1-CD1 4.2Å; F335-L345 HydrophobicContact CE1-CG 4.02Å; F335-L345 HydrophobicContact CE2-CD2 3.94Å; F335-L345 HydrophobicContact CE2-CG 4.16Å; F335-L345 HydrophobicContact CG-CD1 3.77Å; F335-L345 HydrophobicContact CG-CD2 4.09Å; F335-L345 HydrophobicContact CG-CG 4.04Å; F335-L345 HydrophobicContact CZ-CD2 4.38Å; F335-L345 HydrophobicContact CZ-CG 4.11Å
336	V	97.8	Very high	92.8	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.303	C	S	.	.			trans	-114.5	110.9	175	-174.2	0	0	0	0	107.8	M66 N70 W97 K102 L103 W334 D338	M66-V336 HydrophobicContact CB-CB 3.84Å; M66-V336 HydrophobicContact CB-CG1 4.49Å; M66-V336 HydrophobicContact CB-CG2 4.06Å; N70-V336 HydrophobicContact CB-CG2 3.68Å; W97-V336 WeakPolarHBondContact CZ2-O 3.38Å; W97-V336 PolarHBondContact NE1-O 2.69Å; K102-V336 HydrophobicContact CG-CG1 4.39Å; L103-V336 HydrophobicContact CD1-CG1 4.43Å; L103-V336 HydrophobicContact CD1-CG2 4.1Å; L103-V336 HydrophobicContact CG-CG1 4.43Å; L103-V336 HydrophobicContact CG-CG2 4.24Å; W334-V336 PolarHBondContact O-N 3.16Å; V336-D338 PolarHBondContact O-N 2.93Å
337	P	96.4	Very high	91.9	Very high	88 Å²	88	56.6 Å²	56.6	57%	0.571	32%	0.315	S	S	*	.			trans	-53.2	136.7	-178.8	-28.4	35.5	0	0	0	112.6	W97 F335 P339	W97-P337 PolarHBondContact NE1-O 2.88Å; W97-P337 VanDerWaalsContact NE1-O 3.09Å; F335-P337 HydrophobicContact CE1-CB 4.44Å; F335-P337 HydrophobicContact CE1-CG 4.31Å; P337-P339 VanDerWaalsContact O-CD 3.28Å; P337-P339 WeakPolarHBondContact O-CD 3.38Å
338	D	95.3	Very high	90.5	Very high	16 Å²	16	61.2 Å²	61.2	9%	0.086	34%	0.337	C	S	.	.			trans	-71.4	117.2	174.6	-172.9	-14.7	0	0	0	109.9	R93 W97 V336 A340 G341 I342 F343	R93-D338 IonicContact CZ-OD2 3.77Å; R93-D338 IonicContact NE-OD2 3.67Å; R93-D338 IonicContact NH2-OD2 3.05Å; R93-D338 PolarHBondContact NH2-OD2 3.24Å; W97-D338 HydrophobicContact CD2-CB 4.42Å; W97-D338 VanDerWaalsContact CE2-CA 3.46Å; W97-D338 HydrophobicContact CE3-CB 4.41Å; W97-D338 HydrophobicContact CH2-CB 3.52Å; W97-D338 VanDerWaalsContact CZ2-CA 3.43Å; W97-D338 HydrophobicContact CZ2-CB 3.43Å; W97-D338 VanDerWaalsContact CZ2-CB 3.43Å; W97-D338 HydrophobicContact CZ3-CB 3.99Å; W97-D338 VanDerWaalsContact CZ3-CG 3.49Å; W97-D338 WeakPolarHBondContact CZ3-OD2 3.36Å; V336-D338 PolarHBondContact O-N 2.93Å; D338-A340 PolarHBondContact O-N 3.09Å; D338-A340 VanDerWaalsContact O-N 3.12Å; D338-A340 WeakPolarHBondContact OD1-CB 3.01Å; D338-A340 PolarHBondContact OD1-N 3.09Å; D338-G341 WeakPolarHBondContact O-CA 2.99Å; D338-G341 PolarHBondContact O-N 3.4Å; D338-I342 WeakPolarHBondContact OD2-CB 3.47Å; D338-I342 PolarHBondContact OD2-N 3Å; D338-I342 VanDerWaalsContact OD2-N 3.17Å; D338-F343 HydrophobicContact CB-CB 4.17Å; D338-F343 PolarHBondContact OD2-N 2.9Å
339	P	93.1	Very high	88	Confident	72 Å²	72	68.8 Å²	68.8	47%	0.468	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.1	177.5	-24.8	36.1	0	0	0	113.4	W97 H100 P337	W97-P339 VanDerWaalsContact CD1-CD 3.47Å; W97-P339 HydrophobicContact CG-CG 4.47Å; H100-P339 HydrophobicContact CB-CB 4.39Å; H100-P339 HydrophobicContact CB-CG 4.17Å; P337-P339 VanDerWaalsContact O-CD 3.28Å; P337-P339 WeakPolarHBondContact O-CD 3.38Å
340	A	91.9	Very high	87.9	Confident	66 Å²	66	67.8 Å²	67.8	55%	0.545	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-7.3	174.8	0	0	0	0	0	113.3	D338 I342	D338-A340 PolarHBondContact O-N 3.09Å; D338-A340 VanDerWaalsContact O-N 3.12Å; D338-A340 WeakPolarHBondContact OD1-CB 3.01Å; D338-A340 PolarHBondContact OD1-N 3.09Å; A340-I342 HydrophobicContact CB-CD1 3.89Å; A340-I342 HydrophobicContact CB-CG1 4.03Å; A340-I342 PolarHBondContact O-N 3Å
341	G	91.3	Very high	87.6	Confident	37 Å²	37	70.1 Å²	70.1	38%	0.381	40%	0.401	S	S	.	.	S	Bend	trans	64.3	19.6	-179.2	0	0	0	0	0	114.9	D338 K344	D338-G341 WeakPolarHBondContact O-CA 2.99Å; D338-G341 PolarHBondContact O-N 3.4Å; G341-K344 WeakPolarHBondContact O-CE 3.12Å
342	I	90.6	Very high	87.1	Confident	116 Å²	116	73.9 Å²	73.9	60%	0.595	42%	0.424	S	S	*	.			trans	-82.9	-46.4	-177.7	-63.2	167.4	0	0	0	110.4	D338 A340	D338-I342 WeakPolarHBondContact OD2-CB 3.47Å; D338-I342 PolarHBondContact OD2-N 3Å; D338-I342 VanDerWaalsContact OD2-N 3.17Å; A340-I342 HydrophobicContact CB-CD1 3.89Å; A340-I342 HydrophobicContact CB-CG1 4.03Å; A340-I342 PolarHBondContact O-N 3Å
343	F	93.1	Very high	86.7	Confident	18 Å²	18	73.3 Å²	73.3	8%	0.079	43%	0.425	C	S	.	.	S	Bend	trans	-89	127.7	173.9	-168.6	-81.9	0	0	0	109.8	W97 W321 F335 D338 L345	W97-F343 HydrophobicContact CH2-CB 3.53Å; W97-F343 HydrophobicContact CH2-CD1 4.44Å; W97-F343 HydrophobicContact CH2-CG 4.05Å; W97-F343 HydrophobicContact CZ2-CB 4.45Å; W97-F343 HydrophobicContact CZ3-CB 4.21Å; W321-F343 HydrophobicContact CB-CE1 4.03Å; W321-F343 HydrophobicContact CB-CZ 3.79Å; W321-F343 AromaticContact CD1-CZ 3.72Å; W321-F343 AromaticContact CD2-CZ 3.93Å; W321-F343 HydrophobicContact CD2-CZ 3.93Å; W321-F343 HydrophobicContact CG-CE1 4.25Å; W321-F343 HydrophobicContact CG-CE2 4.34Å; W321-F343 AromaticContact CG-CZ 3.51Å; W321-F343 HydrophobicContact CG-CZ 3.51Å; F335-F343 AromaticContact CE2-CD1 3.81Å; F335-F343 HydrophobicContact CE2-CD1 3.81Å; F335-F343 AromaticContact CE2-CE1 3.92Å; F335-F343 HydrophobicContact CE2-CE1 3.92Å; F335-F343 HydrophobicContact CZ-CD1 4.35Å; D338-F343 HydrophobicContact CB-CB 4.17Å; D338-F343 PolarHBondContact OD2-N 2.9Å; F343-L345 HydrophobicContact CE1-CD2 4.28Å
344	K	91.3	Very high	86.1	Confident	138 Å²	138	72.6 Å²	72.6	60%	0.6	42%	0.415	S	S	*	.			trans	-137.4	151.7	178.2	-59.9	-175.1	-174	-177.9	0	108.6	G341	G341-K344 WeakPolarHBondContact O-CE 3.12Å
345	L	91.3	Very high	85.4	Confident	39 Å²	39	74.3 Å²	74.3	20%	0.204	43%	0.431	C	S	.	.			trans	-76	124.9	169.7	-53	179.4	0	0	0	108.5	W321 E332 F335 F343 H347	W321-L345 HydrophobicContact CB-CD2 3.58Å; E332-L345 HydrophobicContact CG-CD1 3.77Å; F335-L345 HydrophobicContact CB-CD1 4.09Å; F335-L345 HydrophobicContact CD1-CD1 3.71Å; F335-L345 HydrophobicContact CD1-CG 3.99Å; F335-L345 HydrophobicContact CD2-CD1 4.3Å; F335-L345 HydrophobicContact CD2-CD2 3.77Å; F335-L345 HydrophobicContact CD2-CG 4.11Å; F335-L345 HydrophobicContact CE1-CD1 4.2Å; F335-L345 HydrophobicContact CE1-CG 4.02Å; F335-L345 HydrophobicContact CE2-CD2 3.94Å; F335-L345 HydrophobicContact CE2-CG 4.16Å; F335-L345 HydrophobicContact CG-CD1 3.77Å; F335-L345 HydrophobicContact CG-CD2 4.09Å; F335-L345 HydrophobicContact CG-CG 4.04Å; F335-L345 HydrophobicContact CZ-CD2 4.38Å; F335-L345 HydrophobicContact CZ-CG 4.11Å; F343-L345 HydrophobicContact CE1-CD2 4.28Å; L345-H347 VanDerWaalsContact CB-NE2 3.26Å; L345-H347 WeakPolarHBondContact CB-NE2 3.18Å; L345-H347 PolarHBondContact O-N 2.83Å
346	N	83.7	Confident	84.5	Confident	89 Å²	89	76.8 Å²	76.8	48%	0.476	45%	0.449	S	S	.	.			trans	-96.9	81.9	178.2	-65.5	-39.9	0	0	0	109.1	W321 D322	W321-N346 PolarHBondContact O-N 3.45Å; D322-N346 PolarHBondContact OD1-ND2 3.17Å
347	H	69.5	Low	83.5	Confident	72 Å²	72	82.7 Å²	82.7	33%	0.333	48%	0.483	S	S	.	.			trans	-92	140.1	167	-53.3	-59.8	0	0	0	108.8	E332 L345 S349	E332-H347 IonicContact OE1-CD2 3.75Å; E332-H347 IonicContact OE1-CE1 3.33Å; E332-H347 PolarHBondContact OE1-CE1 2.95Å; E332-H347 IonicContact OE1-ND1 2.96Å; E332-H347 IonicContact OE1-NE2 2.61Å; E332-H347 PolarHBondContact OE1-NE2 3.4Å; E332-H347 VanDerWaalsContact OE1-NE2 3.09Å; L345-H347 VanDerWaalsContact CB-NE2 3.26Å; L345-H347 WeakPolarHBondContact CB-NE2 3.18Å; L345-H347 PolarHBondContact O-N 2.83Å; H347-S349 PolarHBondContact O-N 2.91Å
348	H	59	Low	82.4	Confident	135 Å²	135	82.3 Å²	82.3	63%	0.625	48%	0.476	S	S	*	.			trans	-60.1	136.5	170.1	-83.9	-58.6	0	0	0	110.5	F323	F323-H348 AromaticContact CD1-CD2 3.12Å; F323-H348 WeakPolarHBondContact CD1-CD2 3.36Å; F323-H348 AromaticContact CD1-NE2 2.99Å; F323-H348 WeakPolarHBondContact CD1-NE2 3.45Å; F323-H348 AromaticContact CD2-CD2 3.47Å; F323-H348 VanDerWaalsContact CD2-CD2 3.47Å; F323-H348 WeakPolarHBondContact CD2-CD2 3.28Å; F323-H348 AromaticContact CE1-CD2 3.32Å; F323-H348 WeakPolarHBondContact CE1-CD2 3.31Å; F323-H348 AromaticContact CE1-NE2 3.31Å; F323-H348 VanDerWaalsContact CE1-NE2 3.31Å; F323-H348 WeakPolarHBondContact CE1-NE2 3.32Å; F323-H348 AromaticContact CE2-CD2 3.68Å; F323-H348 AromaticContact CG-CD2 3.18Å; F323-H348 WeakPolarHBondContact CG-CD2 3.1Å; F323-H348 AromaticContact CG-NE2 3.51Å; F323-H348 AromaticContact CZ-CD2 3.59Å
349	S	38.8	Very low	81.2	Confident	189 Å²	189	88.3 Å²	88.3	100%	1.322	51%	0.512	S	S	*	.			trans	-61.9	0	157	-44.8	0	0	0	0	111.4	H347	H347-S349 PolarHBondContact O-N 2.91Å

Retrieved 349 of 349 residues in 141.9 ms (Link to these results)

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