A0A2K6C8S3_MACNE Loading...

(Lyso)-N-acylphosphatidylethanolamine lipase

Lysophospholipase selective for N-acyl phosphatidylethanolamine (NAPE). Contributes to the biosynthesis of N-acyl ethanolamines, including the endocannabinoid anandamide by hydrolyzing the sn-1 and sn-2 acyl chains from N-acyl phosphatidylethanolamine (NAPE) generating glycerophospho-N-acyl ethanolamine (GP-NAE), an intermediate for N-acyl ethanolamine biosynthesis. Hydrolyzes substrates bearing saturated, monounsaturated, polyunsaturated N-acyl chains. Shows no significant activity towards other lysophospholipids, including lysophosphatidylcholine, lysophosphatidylethanolamine and lysophosphatidylserine.

AlphaFold DB , UniProt , Accession A0A2K6C8S3, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene ABHD4, Length 342 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	37.6	Very low	34.1	Very low	250 Å²	250	156.5 Å²	156.5	100%	1.232	84%	0.837	S	S	*	*				0	103.2	0	-78	-169.8	-72.3	0	0	107.7
2	A	28.1	Very low	34.4	Very low	95 Å²	95	161.8 Å²	161.8	79%	0.785	84%	0.837	S	S	*	*			trans	-160.7	103.4	161.9	0	0	0	0	0	104.4
3	D	35.3	Very low	34.6	Very low	156 Å²	156	158.8 Å²	158.8	83%	0.834	82%	0.822	S	S	*	*			trans	-75.3	117.5	175.5	-78.2	-41	0	0	0	108.6	L5	D3-L5 PolarHBondContact O-N 2.74Å; D3-L5 VanDerWaalsContact O-N 3.17Å
4	D	33.1	Very low	35	Very low	154 Å²	154	153.6 Å²	153.6	82%	0.824	81%	0.806	S	S	*	*			trans	-77.8	93.2	166.6	-82.9	-23.5	0	0	0	108.4	E6	D4-E6 PolarHBondContact O-N 2.73Å
5	L	33.9	Very low	35.6	Very low	155 Å²	155	149.7 Å²	149.7	81%	0.812	80%	0.797	S	S	*	*			trans	-81	105.3	167.9	-74.5	166.8	0	0	0	109.4	D3 Q7	D3-L5 PolarHBondContact O-N 2.74Å; D3-L5 VanDerWaalsContact O-N 3.17Å; L5-Q7 PolarHBondContact O-N 3.49Å
6	E	30.9	Very low	36.1	Very low	189 Å²	189	154.9 Å²	154.9	88%	0.883	80%	0.802	S	S	*	*			trans	-63.1	114.9	161.6	-89.7	179.8	156.8	0	0	109.4	D4 Q8	D4-E6 PolarHBondContact O-N 2.73Å; E6-Q8 PolarHBondContact O-N 2.71Å
7	Q	30.5	Very low	36.4	Very low	195 Å²	195	153.5 Å²	153.5	91%	0.911	80%	0.795	S	S	*	*			trans	-72	112.7	172.5	-76.7	-179.8	-11.3	0	0	110.3	L5	L5-Q7 PolarHBondContact O-N 3.49Å
8	Q	35.7	Very low	37.4	Very low	164 Å²	164	151.8 Å²	151.8	77%	0.766	80%	0.796	S	S	*	*			trans	-89.9	146.7	162.1	-71.6	-165.8	-7.7	0	0	110.6	E6 Q10	E6-Q8 PolarHBondContact O-N 2.71Å; Q8-Q10 PolarHBondContact O-N 2.79Å; Q8-Q10 VanDerWaalsContact O-N 3.13Å
9	P	35.7	Very low	38.5	Very low	132 Å²	132	149.2 Å²	149.2	86%	0.857	79%	0.787	S	S	*	*			trans	-69.6	111	172	18.1	-12.6	0	0	0	109.4	G11	P9-G11 PolarHBondContact O-N 3.46Å
10	Q	39.7	Very low	39.7	Very low	191 Å²	191	149.9 Å²	149.9	89%	0.893	78%	0.778	S	S	*	*			trans	-81.8	108.9	-177.8	-69.8	-170.9	-3.6	0	0	111.5	Q8	Q8-Q10 PolarHBondContact O-N 2.79Å; Q8-Q10 VanDerWaalsContact O-N 3.13Å
11	G	34.4	Very low	40.9	Very low	40 Å²	40	148.4 Å²	148.4	41%	0.412	76%	0.762	S	S	.	*			trans	-91	121.2	153.3	0	0	0	0	0	108.9	P9 L13 S14	P9-G11 PolarHBondContact O-N 3.46Å; G11-L13 PolarHBondContact O-N 2.72Å; G11-S14 PolarHBondContact O-N 2.85Å; G11-S14 VanDerWaalsContact O-N 3.09Å; G11-S14 PolarHBondContact O-OG 3.27Å; G11-S14 VanDerWaalsContact O-OG 3.05Å
12	W	38.2	Very low	42.5	Very low	221 Å²	221	138.1 Å²	138.1	84%	0.837	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.9	-11.8	-176.7	69.2	-55.4	0	0	0	117.2
13	L	36.8	Very low	45	Very low	123 Å²	123	134.8 Å²	134.8	64%	0.644	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	-9	179.7	-75.3	162.2	0	0	0	114.5	G11	G11-L13 PolarHBondContact O-N 2.72Å
14	S	41	Very low	47.4	Very low	85 Å²	85	129.7 Å²	129.7	59%	0.594	66%	0.661	S	S	*	*	S	Bend	trans	-89.7	-10.4	-175.4	63.7	0	0	0	0	115.1	G11	G11-S14 PolarHBondContact O-N 2.85Å; G11-S14 VanDerWaalsContact O-N 3.09Å; G11-S14 PolarHBondContact O-OG 3.27Å; G11-S14 VanDerWaalsContact O-OG 3.05Å
15	S	43.6	Very low	50.1	Low	95 Å²	95	126 Å²	126	66%	0.664	64%	0.639	S	S	*	*	S	Bend	trans	-88	-11.8	-174.1	58	0	0	0	0	115.1
16	W	43	Very low	52.8	Low	234 Å²	234	122.3 Å²	122.3	89%	0.886	63%	0.627	S	S	*	*	S	Bend	trans	-99.3	-12.7	-177.4	-84	68	0	0	0	114.4
17	L	42.2	Very low	55.7	Low	131 Å²	131	116.8 Å²	116.8	69%	0.686	60%	0.601	S	S	*	*	S	Bend	trans	-98	129.1	178.1	-69	169.4	0	0	0	109.4	T19	L17-T19 PolarHBondContact O-N 3.36Å
18	P	53.9	Low	58.7	Low	123 Å²	123	107.5 Å²	107.5	80%	0.799	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-56.9	132.2	174.2	8.7	-11.2	0	0	0	109.5	W20	P18-W20 PolarHBondContact O-N 3.48Å
19	T	58.4	Low	61.5	Low	102 Å²	102	105.4 Å²	105.4	63%	0.626	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-55.8	127.6	174.9	46.7	0	0	0	0	108.9	L17 R21	L17-T19 PolarHBondContact O-N 3.36Å; T19-R21 WeakPolarHBondContact CB-O 3.37Å; T19-R21 CarbonylContact O-C 3.25Å; T19-R21 VanDerWaalsContact O-C 3.25Å; T19-R21 PolarHBondContact O-N 3.03Å; T19-R21 PolarHBondContact OG1-O 3.37Å
20	W	61.7	Low	64.4	Low	162 Å²	162	104 Å²	104	61%	0.614	53%	0.531	S	S	*	.	S	Bend	trans	-50.7	-28.3	178.7	177.8	-97.6	0	0	0	112.4	P18 V209 G211 P212 W213	P18-W20 PolarHBondContact O-N 3.48Å; W20-V209 PolarHBondContact NE1-O 3.03Å; W20-G211 WeakPolarHBondContact O-CA 3.18Å; W20-P212 WeakPolarHBondContact O-CD 3.34Å; W20-W213 HydrophobicContact CH2-CZ3 4.21Å
21	R	64.4	Low	67	Low	119 Å²	119	95.2 Å²	95.2	45%	0.449	49%	0.491	S	S	.	.	S	Bend	trans	-98	109.7	166.6	-61.7	-178.8	-175.4	166	6	108.7	T19 T23 R208	T19-R21 WeakPolarHBondContact CB-O 3.37Å; T19-R21 CarbonylContact O-C 3.25Å; T19-R21 VanDerWaalsContact O-C 3.25Å; T19-R21 PolarHBondContact O-N 3.03Å; T19-R21 PolarHBondContact OG1-O 3.37Å; R21-T23 HydrophobicContact CB-CG2 4.31Å; R21-T23 PolarHBondContact O-N 3.39Å; R21-R208 WeakPolarHBondContact CG-O 3.42Å; R21-R208 PolarHBondContact NE-O 2.89Å
22	P	72.1	Confident	70	Confident	35 Å²	35	93.3 Å²	93.3	23%	0.227	47%	0.471	C	S	.	.			trans	-76.7	53.8	176.4	38.7	-45.2	0	0	0	110.7	Q27 G211 Y243 H244	P22-Q27 PolarHBondContact O-OE1 3.07Å; P22-Q27 VanDerWaalsContact O-OE1 3.14Å; P22-G211 VanDerWaalsContact CD-O 3.28Å; P22-G211 WeakPolarHBondContact CD-O 3.37Å; P22-G211 WeakPolarHBondContact CG-O 3.24Å; P22-Y243 VanDerWaalsContact CD-OH 3.24Å; P22-Y243 WeakPolarHBondContact CD-OH 3.46Å; P22-Y243 HydrophobicContact CG-CE1 4.06Å; P22-Y243 VanDerWaalsContact CG-OH 3.31Å; P22-Y243 WeakPolarHBondContact CG-OH 3.46Å; P22-H244 PolarHBondContact O-CE1 2.54Å; P22-H244 VanDerWaalsContact O-CE1 3.25Å
23	T	81.4	Confident	72.7	Confident	25 Å²	25	84.7 Å²	84.7	15%	0.153	45%	0.447	C	S	.	.			trans	-133.6	141	177.6	-163.4	0	0	0	0	110.8	R21 H244 A247	R21-T23 HydrophobicContact CB-CG2 4.31Å; R21-T23 PolarHBondContact O-N 3.39Å; T23-H244 PolarHBondContact OG1-ND1 3.4Å; T23-A247 HydrophobicContact CG2-CB 3.71Å
24	S	85.9	Confident	75.5	Confident	48 Å²	48	83 Å²	83	34%	0.336	43%	0.432	S	S	.	.			trans	-148.1	163.2	170.2	66.7	0	0	0	0	110	S26 Q27 L28	S24-S26 PolarHBondContact O-N 3.32Å; S24-Q27 PolarHBondContact O-N 3.22Å; S24-Q27 WeakPolarHBondContact OG-CG 3.44Å; S24-Q27 PolarHBondContact OG-N 3.15Å; S24-Q27 VanDerWaalsContact OG-N 3.12Å; S24-Q27 PolarHBondContact OG-OE1 2.83Å; S24-L28 PolarHBondContact O-N 3.07Å
25	M	88.4	Confident	78.1	Confident	77 Å²	77	79 Å²	79	38%	0.379	40%	0.404	S	S	.	.	H	α-helix	trans	-59.6	-34.1	172.2	-79.7	-55.6	-55.1	0	0	112.2	L28 K29 R107 Q248	M25-L28 PolarHBondContact O-N 3.49Å; M25-K29 VanDerWaalsContact O-CB 3.29Å; M25-K29 WeakPolarHBondContact O-CB 3.28Å; M25-K29 PolarHBondContact O-N 3.5Å; M25-R107 HydrophobicContact CE-CB 3.94Å; M25-R107 HydrophobicContact CE-CG 4Å; M25-Q248 PolarHBondContact SD-OE1 3.39Å
26	S	90.4	Very high	80.6	Confident	78 Å²	78	74.8 Å²	74.8	55%	0.545	37%	0.374	S	S	.	.	H	α-helix	trans	-64.8	-42.4	175.3	-55.5	0	0	0	0	111.9	S24 K29 N30	S24-S26 PolarHBondContact O-N 3.32Å; S26-K29 PolarHBondContact O-N 2.95Å; S26-N30 WeakPolarHBondContact O-CB 3.47Å; S26-N30 PolarHBondContact O-N 3.46Å; S26-N30 PolarHBondContact O-ND2 3.32Å; S26-N30 PolarHBondContact O-OD1 2.87Å
27	Q	92.2	Very high	83.1	Confident	73 Å²	73	70.7 Å²	70.7	34%	0.341	36%	0.364	S	S	.	.	H	α-helix	trans	-64.4	-46.9	175.7	-74.9	171.4	-47.1	0	0	111.5	P22 S24 K29 N30 V31	P22-Q27 PolarHBondContact O-OE1 3.07Å; P22-Q27 VanDerWaalsContact O-OE1 3.14Å; S24-Q27 PolarHBondContact O-N 3.22Å; S24-Q27 WeakPolarHBondContact OG-CG 3.44Å; S24-Q27 PolarHBondContact OG-N 3.15Å; S24-Q27 VanDerWaalsContact OG-N 3.12Å; S24-Q27 PolarHBondContact OG-OE1 2.83Å; Q27-K29 VanDerWaalsContact C-N 3.31Å; Q27-K29 PolarHBondContact O-N 3.26Å; Q27-N30 PolarHBondContact O-N 2.83Å; Q27-V31 WeakPolarHBondContact O-CG2 3.4Å; Q27-V31 PolarHBondContact O-N 3.38Å
28	L	94.1	Very high	85.5	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-57.4	-46.4	175.4	-179.9	53.9	0	0	0	111.5	S24 M25 N30 V31 E32 G106 R107 Y241 H244	S24-L28 PolarHBondContact O-N 3.07Å; M25-L28 PolarHBondContact O-N 3.49Å; L28-N30 VanDerWaalsContact C-N 3.33Å; L28-N30 PolarHBondContact O-N 3.21Å; L28-V31 PolarHBondContact O-N 3.45Å; L28-E32 VanDerWaalsContact O-CB 3.32Å; L28-E32 WeakPolarHBondContact O-CB 3.24Å; L28-E32 PolarHBondContact O-N 3.4Å; L28-G106 WeakPolarHBondContact CD2-O 3.36Å; L28-R107 HydrophobicContact CD2-CB 4.49Å; L28-R107 HydrophobicContact CD2-CG 3.49Å; L28-R107 VanDerWaalsContact CD2-CG 3.49Å; L28-R107 HydrophobicContact CG-CG 3.74Å; L28-Y241 HydrophobicContact CD1-CD2 3.57Å; L28-Y241 HydrophobicContact CD1-CE2 3.52Å; L28-H244 HydrophobicContact CB-CB 3.94Å; L28-H244 HydrophobicContact CD1-CB 3.84Å; L28-H244 HydrophobicContact CG-CB 4.41Å
29	K	94.9	Very high	87.4	Confident	119 Å²	119	60.9 Å²	60.9	52%	0.517	31%	0.308	S	S	.	.	H	α-helix	trans	-58.5	-43.7	176.9	178.8	-178.5	176	-172.8	0	111.8	M25 S26 Q27 A33	M25-K29 VanDerWaalsContact O-CB 3.29Å; M25-K29 WeakPolarHBondContact O-CB 3.28Å; M25-K29 PolarHBondContact O-N 3.5Å; S26-K29 PolarHBondContact O-N 2.95Å; Q27-K29 VanDerWaalsContact C-N 3.31Å; Q27-K29 PolarHBondContact O-N 3.26Å; K29-A33 VanDerWaalsContact O-CB 3.27Å; K29-A33 WeakPolarHBondContact O-CB 3.5Å; K29-A33 PolarHBondContact O-N 3.23Å
30	N	94.9	Very high	89	Confident	103 Å²	103	63.5 Å²	63.5	55%	0.551	31%	0.313	S	S	*	.	H	α-helix	trans	-67.3	-44.9	-178.7	-70.6	-10	0	0	0	111.8	S26 Q27 L28 A33 R34	S26-N30 WeakPolarHBondContact O-CB 3.47Å; S26-N30 PolarHBondContact O-N 3.46Å; S26-N30 PolarHBondContact O-ND2 3.32Å; S26-N30 PolarHBondContact O-OD1 2.87Å; Q27-N30 PolarHBondContact O-N 2.83Å; L28-N30 VanDerWaalsContact C-N 3.33Å; L28-N30 PolarHBondContact O-N 3.21Å; N30-A33 PolarHBondContact O-N 3.43Å; N30-R34 PolarHBondContact O-N 3.31Å; N30-R34 VanDerWaalsContact O-N 3.17Å
31	V	95	Very high	90.4	Very high	7 Å²	7	58.4 Å²	58.4	4%	0.042	30%	0.298	C	S	.	.	H	α-helix	trans	-65.2	-43.8	177.3	-179.2	0	0	0	0	111	Q27 L28 A33 R34 I35 T237 E240 Y241	Q27-V31 WeakPolarHBondContact O-CG2 3.4Å; Q27-V31 PolarHBondContact O-N 3.38Å; L28-V31 PolarHBondContact O-N 3.45Å; V31-A33 VanDerWaalsContact C-N 3.32Å; V31-A33 PolarHBondContact O-N 3.29Å; V31-R34 VanDerWaalsContact CG2-NH2 3.31Å; V31-R34 WeakPolarHBondContact O-CB 3.44Å; V31-R34 PolarHBondContact O-N 2.66Å; V31-I35 HydrophobicContact CG1-CD1 4.46Å; V31-I35 PolarHBondContact O-N 2.88Å; V31-T237 HydrophobicContact CG1-CG2 4.04Å; V31-T237 VanDerWaalsContact CG1-O 3.25Å; V31-T237 WeakPolarHBondContact CG1-O 3.45Å; V31-E240 HydrophobicContact CG1-CB 4.18Å; V31-E240 HydrophobicContact CG2-CB 4.19Å; V31-Y241 HydrophobicContact CG1-CD2 4.42Å
32	E	97.2	Very high	91.8	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-64.3	-36.9	176.6	-165.9	-179.4	81.8	0	0	112.5	L28 R34 I35 L36 W57 V81 R107 Y241	L28-E32 VanDerWaalsContact O-CB 3.32Å; L28-E32 WeakPolarHBondContact O-CB 3.24Å; L28-E32 PolarHBondContact O-N 3.4Å; E32-R34 VanDerWaalsContact C-N 3.31Å; E32-R34 PolarHBondContact O-N 3.09Å; E32-I35 WeakPolarHBondContact O-CB 3.47Å; E32-I35 PolarHBondContact O-N 3.41Å; E32-I35 VanDerWaalsContact O-N 3.1Å; E32-L36 HydrophobicContact CG-CD1 4.16Å; E32-L36 HydrophobicContact CG-CG 4.25Å; E32-L36 WeakPolarHBondContact O-CG 3.46Å; E32-L36 PolarHBondContact O-N 3.08Å; E32-W57 PolarHBondContact OE1-NE1 3.5Å; E32-V81 HydrophobicContact CG-CG2 4.4Å; E32-V81 VanDerWaalsContact OE2-CG2 3.29Å; E32-V81 WeakPolarHBondContact OE2-CG2 3.47Å; E32-R107 WeakPolarHBondContact OE1-CD 3.39Å; E32-R107 IonicContact OE1-CZ 3.37Å; E32-R107 IonicContact OE1-NE 3.79Å; E32-R107 IonicContact OE1-NH1 3.16Å; E32-R107 PolarHBondContact OE1-NH1 3.36Å; E32-R107 WeakPolarHBondContact OE2-CD 3.35Å; E32-Y241 HydrophobicContact CB-CD2 4.16Å; E32-Y241 HydrophobicContact CB-CE2 3.71Å; E32-Y241 HydrophobicContact CG-CE2 3.74Å; E32-Y241 WeakPolarHBondContact OE2-CE2 3.36Å; E32-Y241 PolarHBondContact OE2-OH 3.06Å
33	A	95.7	Very high	92.9	Very high	40 Å²	40	63.9 Å²	63.9	33%	0.331	32%	0.322	S	S	.	.	H	α-helix	trans	-61	-40.2	175.4	0	0	0	0	0	111.7	K29 N30 V31 I35 L36 Q37	K29-A33 VanDerWaalsContact O-CB 3.27Å; K29-A33 WeakPolarHBondContact O-CB 3.5Å; K29-A33 PolarHBondContact O-N 3.23Å; N30-A33 PolarHBondContact O-N 3.43Å; V31-A33 VanDerWaalsContact C-N 3.32Å; V31-A33 PolarHBondContact O-N 3.29Å; A33-I35 VanDerWaalsContact C-N 3.3Å; A33-I35 PolarHBondContact O-N 2.61Å; A33-L36 PolarHBondContact O-N 3.33Å; A33-Q37 WeakPolarHBondContact O-CB 3.16Å; A33-Q37 WeakPolarHBondContact O-CG 3.49Å; A33-Q37 PolarHBondContact O-N 2.9Å
34	R	95.1	Very high	93.7	Very high	88 Å²	88	66.8 Å²	66.8	33%	0.332	34%	0.336	S	S	.	.	H	α-helix	trans	-60.4	-40.6	172.5	-69	-174	-64.7	175.6	-4.7	111.8	N30 V31 E32 D235 T237 E240	N30-R34 PolarHBondContact O-N 3.31Å; N30-R34 VanDerWaalsContact O-N 3.17Å; V31-R34 VanDerWaalsContact CG2-NH2 3.31Å; V31-R34 WeakPolarHBondContact O-CB 3.44Å; V31-R34 PolarHBondContact O-N 2.66Å; E32-R34 VanDerWaalsContact C-N 3.31Å; E32-R34 PolarHBondContact O-N 3.09Å; R34-D235 IonicContact NH1-OD2 3.54Å; R34-T237 HydrophobicContact CB-CG2 4.44Å; R34-T237 PolarHBondContact NH1-OG1 2.92Å; R34-E240 IonicContact CZ-OE2 2.76Å; R34-E240 IonicContact NH1-OE2 3.14Å; R34-E240 IonicContact NH2-OE2 3.78Å; R34-E240 PolarHBondContact NH2-OE2 3.27Å
35	I	96.2	Very high	94.3	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-64.8	-49.9	177.6	-64.6	168.2	0	0	0	110.9	V31 E32 A33 Q37 C38 I85 F233 T237 I238 Y241	V31-I35 HydrophobicContact CG1-CD1 4.46Å; V31-I35 PolarHBondContact O-N 2.88Å; E32-I35 WeakPolarHBondContact O-CB 3.47Å; E32-I35 PolarHBondContact O-N 3.41Å; E32-I35 VanDerWaalsContact O-N 3.1Å; A33-I35 VanDerWaalsContact C-N 3.3Å; A33-I35 PolarHBondContact O-N 2.61Å; I35-Q37 VanDerWaalsContact C-N 3.27Å; I35-Q37 PolarHBondContact O-N 2.97Å; I35-C38 WeakPolarHBondContact O-CB 3.43Å; I35-C38 PolarHBondContact O-N 3.23Å; I35-I85 HydrophobicContact CG2-CB 3.73Å; I35-I85 HydrophobicContact CG2-CD1 4.2Å; I35-I85 HydrophobicContact CG2-CG1 3.84Å; I35-I85 HydrophobicContact CG2-CG2 3.99Å; I35-I85 VanDerWaalsContact O-CD1 3.22Å; I35-I85 WeakPolarHBondContact O-CD1 3.36Å; I35-F233 HydrophobicContact CB-CZ 4.08Å; I35-F233 HydrophobicContact CG1-CE1 4.26Å; I35-F233 HydrophobicContact CG1-CE2 4.42Å; I35-F233 HydrophobicContact CG1-CZ 3.84Å; I35-F233 HydrophobicContact CG2-CZ 4.08Å; I35-T237 HydrophobicContact CD1-CG2 4.13Å; I35-T237 HydrophobicContact CG1-CG2 3.54Å; I35-I238 HydrophobicContact CD1-CD1 3.75Å; I35-I238 HydrophobicContact CG1-CD1 4.1Å; I35-Y241 HydrophobicContact CD1-CD1 3.89Å; I35-Y241 HydrophobicContact CD1-CD2 3.87Å; I35-Y241 HydrophobicContact CD1-CG 3.52Å
36	L	96	Very high	94.7	Very high	7 Å²	7	67.9 Å²	67.9	4%	0.037	34%	0.336	C	S	.	.	H	α-helix	trans	-70.7	-21.4	-176.8	-64.6	179.9	0	0	0	113.2	E32 A33 C38 L39 F43 A45 V59 M88	E32-L36 HydrophobicContact CG-CD1 4.16Å; E32-L36 HydrophobicContact CG-CG 4.25Å; E32-L36 WeakPolarHBondContact O-CG 3.46Å; E32-L36 PolarHBondContact O-N 3.08Å; A33-L36 PolarHBondContact O-N 3.33Å; L36-C38 PolarHBondContact O-N 2.74Å; L36-L39 HydrophobicContact CD2-CD1 4.07Å; L36-L39 WeakPolarHBondContact O-CB 3.22Å; L36-L39 WeakPolarHBondContact O-CG 3.18Å; L36-L39 PolarHBondContact O-N 2.83Å; L36-L39 VanDerWaalsContact O-N 3.14Å; L36-F43 HydrophobicContact CB-CE2 4.11Å; L36-F43 HydrophobicContact CB-CZ 3.85Å; L36-F43 HydrophobicContact CD1-CE2 4.14Å; L36-F43 WeakPolarHBondContact O-CE1 3.29Å; L36-A45 HydrophobicContact CD1-CB 4.49Å; L36-V59 HydrophobicContact CD1-CG2 3.92Å; L36-V59 HydrophobicContact CD2-CG2 4.42Å; L36-M88 HydrophobicContact CD2-CE 4.44Å; L36-M88 HydrophobicContact CD2-SD 4.39Å
37	Q	94.4	Very high	95.1	Very high	147 Å²	147	68.4 Å²	68.4	69%	0.687	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-17.3	172.3	-81.7	168.5	2.9	0	0	113.2	A33 I35 L39	A33-Q37 WeakPolarHBondContact O-CB 3.16Å; A33-Q37 WeakPolarHBondContact O-CG 3.49Å; A33-Q37 PolarHBondContact O-N 2.9Å; I35-Q37 VanDerWaalsContact C-N 3.27Å; I35-Q37 PolarHBondContact O-N 2.97Å; Q37-L39 VanDerWaalsContact C-N 3.28Å
38	C	92.7	Very high	95.4	Very high	34 Å²	34	65.4 Å²	65.4	23%	0.23	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-15.5	174.5	-58.6	0	0	0	0	113.3	I35 L36 Q40 I85 F232	I35-C38 WeakPolarHBondContact O-CB 3.43Å; I35-C38 PolarHBondContact O-N 3.23Å; L36-C38 PolarHBondContact O-N 2.74Å; C38-Q40 PolarHBondContact O-N 2.74Å; C38-Q40 PolarHBondContact O-NE2 2.72Å; C38-I85 HydrophobicContact CB-CD1 4.22Å; C38-I85 HydrophobicContact CB-CG1 4.25Å; C38-F232 HydrophobicContact CB-CD1 4.14Å; C38-F232 HydrophobicContact CB-CE1 4.43Å
39	L	93.8	Very high	95.6	Very high	15 Å²	15	68.8 Å²	68.8	8%	0.079	34%	0.337	C	S	.	.			trans	-65.2	130.3	178.7	-69.6	175.2	0	0	0	111.1	L36 Q37 F43 V61 I85 M88	L36-L39 HydrophobicContact CD2-CD1 4.07Å; L36-L39 WeakPolarHBondContact O-CB 3.22Å; L36-L39 WeakPolarHBondContact O-CG 3.18Å; L36-L39 PolarHBondContact O-N 2.83Å; L36-L39 VanDerWaalsContact O-N 3.14Å; Q37-L39 VanDerWaalsContact C-N 3.28Å; L39-F43 HydrophobicContact CB-CD1 4.03Å; L39-F43 HydrophobicContact CB-CE1 4.27Å; L39-F43 HydrophobicContact CD1-CB 4.1Å; L39-F43 HydrophobicContact CD1-CD1 3.58Å; L39-F43 HydrophobicContact CD1-CD2 4.45Å; L39-F43 HydrophobicContact CD1-CE1 4.07Å; L39-F43 HydrophobicContact CD1-CG 3.8Å; L39-F43 HydrophobicContact CG-CD1 4.43Å; L39-V61 HydrophobicContact CD1-CG2 4.36Å; L39-I85 HydrophobicContact CD2-CD1 3.53Å; L39-I85 HydrophobicContact CG-CD1 3.63Å; L39-M88 HydrophobicContact CD1-SD 3.93Å; L39-M88 HydrophobicContact CD2-CB 3.52Å; L39-M88 HydrophobicContact CD2-CG 4.33Å; L39-M88 HydrophobicContact CD2-SD 3.98Å
40	Q	92.7	Very high	95.7	Very high	156 Å²	156	63.5 Å²	63.5	73%	0.729	31%	0.314	S	S	*	.			trans	-83.9	-33.6	173.9	-56.3	-52.8	-61	0	0	111.2	C38 D89	C38-Q40 PolarHBondContact O-N 2.74Å; C38-Q40 PolarHBondContact O-NE2 2.72Å; Q40-D89 PolarHBondContact N-OD1 3.18Å; Q40-D89 PolarHBondContact N-OD2 2.86Å
41	N	91.9	Very high	95.7	Very high	55 Å²	55	64.1 Å²	64.1	29%	0.294	32%	0.323	S	S	.	.	S	Bend	trans	-79.6	147.9	178.9	-68.4	-27.6	0	0	0	112.1	F43 V61 D89 S92	N41-F43 PolarHBondContact O-N 2.94Å; N41-V61 HydrophobicContact CB-CG1 3.47Å; N41-V61 VanDerWaalsContact CB-CG1 3.47Å; N41-D89 VanDerWaalsContact CB-OD1 3.29Å; N41-D89 WeakPolarHBondContact CB-OD1 3.45Å; N41-D89 PolarHBondContact N-OD1 3.35Å; N41-D89 WeakPolarHBondContact ND2-CA 3.38Å; N41-D89 PolarHBondContact ND2-O 3.32Å; N41-D89 PolarHBondContact ND2-OD1 3.34Å; N41-S92 PolarHBondContact ND2-OG 2.99Å
42	K	92.6	Very high	95.6	Very high	187 Å²	187	67.7 Å²	67.7	81%	0.813	34%	0.343	S	S	*	.			trans	-63.3	128.8	174.7	-69.4	179.1	-176.9	169.3	0	110.1
43	F	96.4	Very high	95.5	Very high	83 Å²	83	75.8 Å²	75.8	36%	0.364	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	156.7	178.8	71.5	-87.7	0	0	0	112.4	L36 L39 N41 A45 V59 T60 V61	L36-F43 HydrophobicContact CB-CE2 4.11Å; L36-F43 HydrophobicContact CB-CZ 3.85Å; L36-F43 HydrophobicContact CD1-CE2 4.14Å; L36-F43 WeakPolarHBondContact O-CE1 3.29Å; L39-F43 HydrophobicContact CB-CD1 4.03Å; L39-F43 HydrophobicContact CB-CE1 4.27Å; L39-F43 HydrophobicContact CD1-CB 4.1Å; L39-F43 HydrophobicContact CD1-CD1 3.58Å; L39-F43 HydrophobicContact CD1-CD2 4.45Å; L39-F43 HydrophobicContact CD1-CE1 4.07Å; L39-F43 HydrophobicContact CD1-CG 3.8Å; L39-F43 HydrophobicContact CG-CD1 4.43Å; N41-F43 PolarHBondContact O-N 2.94Å; F43-A45 HydrophobicContact CD2-CB 4.18Å; F43-A45 HydrophobicContact CE2-CB 4.11Å; F43-V59 HydrophobicContact CB-CG1 4.34Å; F43-V59 HydrophobicContact CD2-CG1 4.18Å; F43-T60 CarbonylContact C-O 3.44Å; F43-T60 WeakPolarHBondContact CA-O 3.43Å; F43-T60 WeakPolarHBondContact CB-O 3.2Å; F43-V61 HydrophobicContact CB-CG2 3.96Å
44	L	97.2	Very high	95.6	Very high	86 Å²	86	75 Å²	75	45%	0.45	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	119	170.6	176.3	64	0	0	0	108.6	R46 V59 T60	L44-R46 HydrophobicContact CG-CG 4.49Å; L44-V59 WeakPolarHBondContact O-CA 3.22Å; L44-T60 PolarHBondContact N-O 3.32Å; L44-T60 PolarHBondContact O-N 3.15Å
45	A	98.1	Very high	95.7	Very high	34 Å²	34	75 Å²	75	28%	0.281	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122.2	173.9	0	0	0	0	0	109.9	L36 F43 W57 T58 V59	L36-A45 HydrophobicContact CD1-CB 4.49Å; F43-A45 HydrophobicContact CD2-CB 4.18Å; F43-A45 HydrophobicContact CE2-CB 4.11Å; A45-W57 HydrophobicContact CB-CH2 3.68Å; A45-W57 HydrophobicContact CB-CZ2 3.53Å; A45-T58 CarbonylContact C-O 3.57Å; A45-T58 WeakPolarHBondContact CA-O 3.49Å; A45-V59 HydrophobicContact CB-CG2 4.06Å
46	R	98.2	Very high	95.9	Very high	113 Å²	113	75.1 Å²	75.1	43%	0.426	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	160	-176.3	65.8	179.2	-178.4	-172.1	3.1	112.3	L44 T58 M135	L44-R46 HydrophobicContact CG-CG 4.49Å; R46-T58 PolarHBondContact N-O 2.73Å; R46-T58 PolarHBondContact O-N 3.22Å; R46-M135 PolarHBondContact NH2-SD 3.39Å; R46-M135 VanDerWaalsContact NH2-SD 3.41Å
47	Y	98.6	Very high	96	Very high	90 Å²	90	75.7 Å²	75.7	35%	0.353	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	133.7	163.4	-70.9	-71.1	0	0	0	110.1	K55 W57 R107	Y47-K55 HydrophobicContact CD1-CB 3.77Å; Y47-K55 HydrophobicContact CG-CB 4.21Å; Y47-K55 HydrophobicContact CG-CD 4.35Å; Y47-W57 HydrophobicContact CD1-CB 4.12Å; Y47-W57 AromaticContact CD1-CE3 3.8Å; Y47-W57 HydrophobicContact CD1-CE3 3.8Å; Y47-W57 AromaticContact CD2-CE3 3.89Å; Y47-W57 HydrophobicContact CD2-CE3 3.89Å; Y47-W57 HydrophobicContact CD2-CZ3 4.02Å; Y47-W57 HydrophobicContact CE1-CB 3.83Å; Y47-W57 HydrophobicContact CE1-CD2 4.28Å; Y47-W57 AromaticContact CE1-CE3 3.67Å; Y47-W57 HydrophobicContact CE1-CE3 3.67Å; Y47-W57 HydrophobicContact CE1-CG 4.39Å; Y47-W57 AromaticContact CE2-CE3 3.79Å; Y47-W57 HydrophobicContact CE2-CE3 3.79Å; Y47-W57 AromaticContact CE2-CZ3 3.95Å; Y47-W57 HydrophobicContact CE2-CZ3 3.95Å; Y47-W57 AromaticContact CG-CE3 3.9Å; Y47-W57 HydrophobicContact CG-CE3 3.9Å; Y47-W57 HydrophobicContact CG-CZ3 4.4Å; Y47-W57 AromaticContact CZ-CE3 3.67Å; Y47-R107 WeakPolarHBondContact CE1-O 3.49Å
48	V	98.6	Very high	96.2	Very high	9 Å²	9	68.7 Å²	68.7	6%	0.055	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	114.4	168.2	-179.9	0	0	0	0	107	K55 I56 T58 T134 M135	V48-K55 WeakPolarHBondContact O-CA 3.45Å; V48-I56 PolarHBondContact N-O 2.92Å; V48-I56 PolarHBondContact O-N 2.96Å; V48-T58 WeakPolarHBondContact CG2-OG1 3.39Å; V48-T134 HydrophobicContact CG1-CG2 3.47Å; V48-T134 VanDerWaalsContact CG1-CG2 3.47Å; V48-M135 HydrophobicContact CG1-CG 4.39Å; V48-M135 HydrophobicContact CG2-CG 4.12Å; V48-M135 HydrophobicContact CG2-SD 3.5Å; V48-M135 WeakPolarHBondContact CG2-SD 3.21Å
49	S	98.3	Very high	96.5	Very high	71 Å²	71	67 Å²	67	50%	0.497	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	125.1	179.1	-60.6	0	0	0	0	110.2
50	L	97.4	Very high	96.7	Very high	9 Å²	9	67 Å²	67	5%	0.047	33%	0.332	C	S	.	.			trans	-84.4	159.2	172	-52	-172.1	0	0	0	110	N52 Q53 N54 I56 T130 W131	L50-N52 WeakPolarHBondContact CB-OD1 3.37Å; L50-N52 PolarHBondContact O-N 3.43Å; L50-N52 VanDerWaalsContact O-N 3.14Å; L50-Q53 PolarHBondContact O-N 2.87Å; L50-N54 WeakPolarHBondContact CB-O 3.41Å; L50-N54 HydrophobicContact CD1-CB 4.25Å; L50-N54 PolarHBondContact N-O 3.41Å; L50-I56 HydrophobicContact CD1-CD1 4.25Å; L50-I56 HydrophobicContact CD1-CG1 3.86Å; L50-I56 HydrophobicContact CD2-CG1 4.03Å; L50-I56 HydrophobicContact CG-CG1 4.02Å; L50-T130 HydrophobicContact CB-CG2 4.13Å; L50-T130 HydrophobicContact CD2-CG2 3.89Å; L50-T130 HydrophobicContact CG-CG2 4.41Å; L50-W131 HydrophobicContact CD2-CB 4.18Å
51	P	94.9	Very high	96.9	Very high	115 Å²	115	59.6 Å²	59.6	75%	0.747	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-27.6	178.8	-26.5	36.8	0	0	0	114.3	Q53 T130	P51-Q53 PolarHBondContact O-N 3.21Å; P51-T130 HydrophobicContact CG-CG2 4.07Å
52	N	92.3	Very high	96.8	Very high	83 Å²	83	58.6 Å²	58.6	44%	0.444	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	17.8	175.7	66.6	1.8	0	0	0	113.6	L50 N54	L50-N52 WeakPolarHBondContact CB-OD1 3.37Å; L50-N52 PolarHBondContact O-N 3.43Å; L50-N52 VanDerWaalsContact O-N 3.14Å; N52-N54 VanDerWaalsContact CG-ND2 3.31Å; N52-N54 PolarHBondContact ND2-ND2 2.88Å; N52-N54 VanDerWaalsContact ND2-ND2 3.11Å; N52-N54 PolarHBondContact O-N 3.44Å; N52-N54 VanDerWaalsContact OD1-CB 3.29Å; N52-N54 WeakPolarHBondContact OD1-CB 3.09Å; N52-N54 PolarHBondContact OD1-N 2.89Å; N52-N54 PolarHBondContact OD1-ND2 2.91Å
53	Q	94.6	Very high	96.6	Very high	170 Å²	170	50.6 Å²	50.6	79%	0.794	26%	0.262	S	S	*	.	S	Bend	trans	66.9	-3.8	-179.2	-51	175.9	7.2	0	0	115.5	L50 P51	L50-Q53 PolarHBondContact O-N 2.87Å; P51-Q53 PolarHBondContact O-N 3.21Å
54	N	97.6	Very high	95.7	Very high	24 Å²	24	56 Å²	56	13%	0.128	29%	0.288	C	S	.	.			trans	-63.9	146.7	168.9	-72.3	-51.1	0	0	0	110	L50 N52 L103 S109	L50-N54 WeakPolarHBondContact CB-O 3.41Å; L50-N54 HydrophobicContact CD1-CB 4.25Å; L50-N54 PolarHBondContact N-O 3.41Å; N52-N54 VanDerWaalsContact CG-ND2 3.31Å; N52-N54 PolarHBondContact ND2-ND2 2.88Å; N52-N54 VanDerWaalsContact ND2-ND2 3.11Å; N52-N54 PolarHBondContact O-N 3.44Å; N52-N54 VanDerWaalsContact OD1-CB 3.29Å; N52-N54 WeakPolarHBondContact OD1-CB 3.09Å; N52-N54 PolarHBondContact OD1-N 2.89Å; N52-N54 PolarHBondContact OD1-ND2 2.91Å; N54-L103 HydrophobicContact CB-CD1 3.92Å; N54-S109 WeakPolarHBondContact CA-OG 3.3Å; N54-S109 VanDerWaalsContact OD1-CB 3.27Å; N54-S109 WeakPolarHBondContact OD1-CB 3.26Å
55	K	98.3	Very high	94.7	Very high	88 Å²	88	58.8 Å²	58.8	38%	0.383	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	128.8	179.9	-64	-179.3	-176.2	175.9	0	108.9	Y47 V48 S108 S109	Y47-K55 HydrophobicContact CD1-CB 3.77Å; Y47-K55 HydrophobicContact CG-CB 4.21Å; Y47-K55 HydrophobicContact CG-CD 4.35Å; V48-K55 WeakPolarHBondContact O-CA 3.45Å; K55-S108 WeakPolarHBondContact O-CA 3.1Å; K55-S109 PolarHBondContact N-OG 2.8Å; K55-S109 PolarHBondContact O-N 3.3Å
56	I	98.8	Very high	93.6	Very high	2 Å²	2	64 Å²	64	1%	0.01	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	116.2	174.2	-60	-57.7	0	0	0	108.7	V48 L50 T58 F100 L103 S108 W131	V48-I56 PolarHBondContact N-O 2.92Å; V48-I56 PolarHBondContact O-N 2.96Å; L50-I56 HydrophobicContact CD1-CD1 4.25Å; L50-I56 HydrophobicContact CD1-CG1 3.86Å; L50-I56 HydrophobicContact CD2-CG1 4.03Å; L50-I56 HydrophobicContact CG-CG1 4.02Å; I56-T58 PolarHBondContact O-N 3.33Å; I56-T58 PolarHBondContact O-OG1 3.02Å; I56-F100 HydrophobicContact CG2-CB 3.73Å; I56-F100 HydrophobicContact CG2-CD2 3.78Å; I56-F100 HydrophobicContact CG2-CG 4.07Å; I56-L103 HydrophobicContact CD1-CB 4.08Å; I56-L103 HydrophobicContact CD1-CD1 4.01Å; I56-S108 WeakPolarHBondContact CA-OG 3.33Å; I56-W131 HydrophobicContact CG1-CB 4.48Å; I56-W131 HydrophobicContact CG2-CG 4.15Å
57	W	98.8	Very high	92.9	Very high	18 Å²	18	64.5 Å²	64.5	7%	0.068	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	123.7	174.8	-179.6	-114.4	0	0	0	109.8	E32 A45 Y47 F100 D101 R107 S108	E32-W57 PolarHBondContact OE1-NE1 3.5Å; A45-W57 HydrophobicContact CB-CH2 3.68Å; A45-W57 HydrophobicContact CB-CZ2 3.53Å; Y47-W57 HydrophobicContact CD1-CB 4.12Å; Y47-W57 AromaticContact CD1-CE3 3.8Å; Y47-W57 HydrophobicContact CD1-CE3 3.8Å; Y47-W57 AromaticContact CD2-CE3 3.89Å; Y47-W57 HydrophobicContact CD2-CE3 3.89Å; Y47-W57 HydrophobicContact CD2-CZ3 4.02Å; Y47-W57 HydrophobicContact CE1-CB 3.83Å; Y47-W57 HydrophobicContact CE1-CD2 4.28Å; Y47-W57 AromaticContact CE1-CE3 3.67Å; Y47-W57 HydrophobicContact CE1-CE3 3.67Å; Y47-W57 HydrophobicContact CE1-CG 4.39Å; Y47-W57 AromaticContact CE2-CE3 3.79Å; Y47-W57 HydrophobicContact CE2-CE3 3.79Å; Y47-W57 AromaticContact CE2-CZ3 3.95Å; Y47-W57 HydrophobicContact CE2-CZ3 3.95Å; Y47-W57 AromaticContact CG-CE3 3.9Å; Y47-W57 HydrophobicContact CG-CE3 3.9Å; Y47-W57 HydrophobicContact CG-CZ3 4.4Å; Y47-W57 AromaticContact CZ-CE3 3.67Å; W57-F100 CarbonylContact O-C 3.56Å; W57-F100 WeakPolarHBondContact O-CA 3.4Å; W57-F100 VanDerWaalsContact O-CB 3.29Å; W57-F100 WeakPolarHBondContact O-CB 3.38Å; W57-D101 HydrophobicContact CB-CB 4.29Å; W57-D101 PolarHBondContact O-N 2.82Å; W57-R107 HydrophobicContact CB-CB 3.73Å; W57-R107 HydrophobicContact CD2-CB 4.39Å; W57-R107 VanDerWaalsContact CE2-NH1 3.34Å; W57-R107 HydrophobicContact CG-CB 3.74Å; W57-R107 HydrophobicContact CG-CG 4.48Å; W57-R107 VanDerWaalsContact CZ2-NH2 3.35Å; W57-R107 VanDerWaalsContact CZ3-NH2 3.27Å; W57-S108 PolarHBondContact N-OG 2.96Å
58	T	98.8	Very high	92.7	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135.4	-170.3	-54.7	0	0	0	0	110.6	A45 R46 V48 I56 T99 F100 W131 M135	A45-T58 CarbonylContact C-O 3.57Å; A45-T58 WeakPolarHBondContact CA-O 3.49Å; R46-T58 PolarHBondContact N-O 2.73Å; R46-T58 PolarHBondContact O-N 3.22Å; V48-T58 WeakPolarHBondContact CG2-OG1 3.39Å; I56-T58 PolarHBondContact O-N 3.33Å; I56-T58 PolarHBondContact O-OG1 3.02Å; T58-T99 WeakPolarHBondContact CA-O 3.18Å; T58-F100 HydrophobicContact CG2-CB 4.43Å; T58-W131 HydrophobicContact CG2-CZ2 3.83Å; T58-W131 PolarHBondContact OG1-NE1 2.87Å; T58-M135 HydrophobicContact CG2-CE 4.03Å; T58-M135 HydrophobicContact CG2-SD 4.43Å
59	V	98.8	Very high	92.6	Very high	0 Å²	0	65 Å²	65	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	128.7	168.4	-179.5	0	0	0	0	108.3	L36 F43 L44 A45 V61 V81 M88 H98 T99	L36-V59 HydrophobicContact CD1-CG2 3.92Å; L36-V59 HydrophobicContact CD2-CG2 4.42Å; F43-V59 HydrophobicContact CB-CG1 4.34Å; F43-V59 HydrophobicContact CD2-CG1 4.18Å; L44-V59 WeakPolarHBondContact O-CA 3.22Å; A45-V59 HydrophobicContact CB-CG2 4.06Å; V59-V61 HydrophobicContact CG1-CG2 4.31Å; V59-V81 HydrophobicContact CG2-CB 4.18Å; V59-V81 HydrophobicContact CG2-CG1 4.38Å; V59-V81 HydrophobicContact CG2-CG2 3.93Å; V59-M88 HydrophobicContact CG1-SD 4.39Å; V59-H98 WeakPolarHBondContact O-CA 3.5Å; V59-T99 HydrophobicContact CB-CG2 3.98Å; V59-T99 PolarHBondContact N-O 2.82Å; V59-T99 PolarHBondContact O-N 2.94Å; V59-T99 VanDerWaalsContact O-O 3.1Å
60	T	98.4	Very high	92.6	Very high	14 Å²	14	62.7 Å²	62.7	9%	0.086	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	125.3	175	-59.6	0	0	0	0	109	F43 L44 T96 L97 H98	F43-T60 CarbonylContact C-O 3.44Å; F43-T60 WeakPolarHBondContact CA-O 3.43Å; F43-T60 WeakPolarHBondContact CB-O 3.2Å; L44-T60 PolarHBondContact N-O 3.32Å; L44-T60 PolarHBondContact O-N 3.15Å; T60-T96 HydrophobicContact CG2-CG2 3.71Å; T60-L97 CarbonylContact C-O 3.55Å; T60-L97 WeakPolarHBondContact CA-O 3.24Å; T60-H98 WeakPolarHBondContact CG2-CE1 3.44Å; T60-H98 VanDerWaalsContact CG2-ND1 3.35Å; T60-H98 WeakPolarHBondContact CG2-ND1 3.25Å; T60-H98 PolarHBondContact OG1-ND1 2.78Å
61	V	97.1	Very high	92.6	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	122	172.5	-164.1	0	0	0	0	107	L39 N41 F43 V59 M88 S92 L97	L39-V61 HydrophobicContact CD1-CG2 4.36Å; N41-V61 HydrophobicContact CB-CG1 3.47Å; N41-V61 VanDerWaalsContact CB-CG1 3.47Å; F43-V61 HydrophobicContact CB-CG2 3.96Å; V59-V61 HydrophobicContact CG1-CG2 4.31Å; V61-M88 HydrophobicContact CG2-CB 4.38Å; V61-M88 HydrophobicContact CG2-SD 4.26Å; V61-S92 WeakPolarHBondContact CG1-OG 3.46Å; V61-L97 PolarHBondContact N-O 2.97Å; V61-L97 PolarHBondContact O-N 3.04Å
62	S	89.8	Confident	92.8	Very high	34 Å²	34	56.8 Å²	56.8	24%	0.238	28%	0.275	C	S	.	.			trans	-117.9	132.4	-175.4	-71.4	0	0	0	0	110.9
63	P	87.4	Confident	93.1	Very high	20 Å²	20	52.9 Å²	52.9	13%	0.13	25%	0.254	C	S	.	.			trans	-68.4	171.1	164.4	33.3	-39.8	0	0	0	110.5	Q65 S92 R95	P63-Q65 VanDerWaalsContact C-N 3.32Å; P63-Q65 WeakPolarHBondContact CG-O 3.45Å; P63-S92 WeakPolarHBondContact CD-O 3.37Å; P63-R95 VanDerWaalsContact CD-O 3.24Å; P63-R95 WeakPolarHBondContact CD-O 3.37Å
64	E	77.3	Confident	93.3	Very high	197 Å²	197	44.8 Å²	44.8	92%	0.921	22%	0.216	S	C	*	.	S	Bend	trans	-64.8	-36.4	173.5	-63.3	-171.6	161.9	0	0	112.2
65	Q	76.1	Confident	93.4	Very high	143 Å²	143	43.6 Å²	43.6	67%	0.668	21%	0.21	S	C	*	.			trans	-103.4	124.9	177.8	-66	-179.2	32	0	0	111.4	P63	P63-Q65 VanDerWaalsContact C-N 3.32Å; P63-Q65 WeakPolarHBondContact CG-O 3.45Å
66	K	76.3	Confident	93.2	Very high	145 Å²	145	39.7 Å²	39.7	63%	0.63	19%	0.194	S	C	*	.			trans	-112.7	36.7	-172.4	-61	-176.6	179.1	-178.8	0	113.6
67	D	82.6	Confident	92.9	Very high	122 Å²	122	41.8 Å²	41.8	65%	0.652	20%	0.203	S	C	*	.			trans	-90.3	-14.2	-175.7	62.5	-25.8	0	0	0	114
68	R	94.1	Very high	92.2	Very high	85 Å²	85	41.4 Å²	41.4	32%	0.321	21%	0.205	S	C	.	.	S	Bend	trans	-93.7	153.9	-178.4	-63.4	-163.5	177.8	-159	-4.7	114.4	R94 R95 D339	R68-R94 WeakPolarHBondContact CD-O 3.19Å; R68-R95 HydrophobicContact CB-CB 3.92Å; R68-D339 IonicContact NH1-OD1 2.71Å; R68-D339 PolarHBondContact NH1-OD1 2.76Å
69	T	96.9	Very high	91.8	Very high	24 Å²	24	41.6 Å²	41.6	15%	0.147	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-55	126.1	175.2	-57.5	0	0	0	0	110.5	R95 I141 K164 V341 D342	T69-R95 PolarHBondContact O-NH1 3.25Å; T69-I141 HydrophobicContact CG2-CG1 3.93Å; T69-K164 HydrophobicContact CG2-CB 4.23Å; T69-K164 HydrophobicContact CG2-CG 3.94Å; T69-V341 HydrophobicContact CG2-CG1 4.34Å; T69-D342 WeakPolarHBondContact CB-OD1 3.35Å; T69-D342 PolarHBondContact N-OD1 3.05Å; T69-D342 PolarHBondContact OG1-OD1 3.13Å
70	P	97.9	Very high	91.7	Very high	24 Å²	24	41.6 Å²	41.6	16%	0.156	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-69	147.1	-177.7	28	-34.3	0	0	0	111.7	T96 I137 S139 M140 I141	P70-T96 CarbonylContact C-O 3.55Å; P70-T96 VanDerWaalsContact CA-O 3.22Å; P70-T96 WeakPolarHBondContact CA-O 3.43Å; P70-T96 WeakPolarHBondContact CB-O 3.42Å; P70-I137 HydrophobicContact CG-CG2 3.9Å; P70-S139 WeakPolarHBondContact CG-O 3.43Å; P70-M140 HydrophobicContact CG-CB 4.44Å; P70-M140 WeakPolarHBondContact O-CA 3.33Å; P70-I141 PolarHBondContact O-N 3.38Å
71	L	98.7	Very high	91.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	128.1	171.2	174.9	62.9	0	0	0	109.5	M73 L91 R95 T96 L97 H98 I141 L143 V334	L71-M73 HydrophobicContact CD2-CG 4.18Å; L71-M73 HydrophobicContact CD2-SD 4.27Å; L71-M73 HydrophobicContact CG-CG 4.04Å; L71-L91 HydrophobicContact CD2-CB 4.04Å; L71-L91 HydrophobicContact CD2-CD1 4Å; L71-R95 HydrophobicContact CB-CG 4.44Å; L71-T96 PolarHBondContact N-O 2.51Å; L71-L97 HydrophobicContact CD2-CD1 4.25Å; L71-L97 CarbonylContact O-C 3.52Å; L71-L97 WeakPolarHBondContact O-CA 3.13Å; L71-H98 PolarHBondContact O-N 2.83Å; L71-I141 HydrophobicContact CD1-CB 4.1Å; L71-I141 HydrophobicContact CD1-CG2 3.73Å; L71-L143 HydrophobicContact CD1-CB 3.95Å; L71-V334 HydrophobicContact CD2-CG1 4.01Å
72	V	98.9	Very high	91.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	124	173.3	177	0	0	0	0	109.6	H98 F100 W131 I137 M140 I141 L142 L143	V72-H98 CarbonylContact C-O 3.59Å; V72-H98 VanDerWaalsContact CA-O 3.31Å; V72-H98 WeakPolarHBondContact CA-O 3.44Å; V72-H98 HydrophobicContact CG2-CB 4.19Å; V72-F100 HydrophobicContact CG1-CD1 4.36Å; V72-F100 HydrophobicContact CG1-CE1 3.73Å; V72-W131 HydrophobicContact CG1-CH2 3.79Å; V72-W131 HydrophobicContact CG1-CZ3 3.79Å; V72-W131 HydrophobicContact CG2-CH2 4.12Å; V72-W131 HydrophobicContact CG2-CZ3 4.33Å; V72-I137 HydrophobicContact CG2-CD1 4.43Å; V72-M140 HydrophobicContact CB-CB 4.43Å; V72-M140 HydrophobicContact CB-CG 4.41Å; V72-M140 HydrophobicContact CB-SD 3.65Å; V72-M140 HydrophobicContact CG1-SD 4.06Å; V72-M140 HydrophobicContact CG2-CB 3.82Å; V72-M140 HydrophobicContact CG2-CG 4.13Å; V72-M140 HydrophobicContact CG2-SD 3.37Å; V72-M140 WeakPolarHBondContact CG2-SD 3.43Å; V72-I141 PolarHBondContact N-O 3.02Å; V72-L142 HydrophobicContact CB-CD1 4.08Å; V72-L142 HydrophobicContact CG1-CD1 3.91Å; V72-L143 PolarHBondContact O-N 3.37Å
73	M	98.9	Very high	91.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	125.4	-177.9	-58	178.3	77.6	0	0	111.1	L71 W84 N87 L91 L97 H98 T99 L143	L71-M73 HydrophobicContact CD2-CG 4.18Å; L71-M73 HydrophobicContact CD2-SD 4.27Å; L71-M73 HydrophobicContact CG-CG 4.04Å; M73-W84 HydrophobicContact CB-CD2 4.48Å; M73-W84 HydrophobicContact CB-CZ2 4.26Å; M73-W84 HydrophobicContact CE-CD2 3.5Å; M73-W84 VanDerWaalsContact CE-CD2 3.5Å; M73-W84 HydrophobicContact CE-CE3 3.17Å; M73-W84 HydrophobicContact CE-CG 4.12Å; M73-W84 HydrophobicContact CE-CH2 3.88Å; M73-W84 HydrophobicContact CE-CZ2 4.2Å; M73-W84 HydrophobicContact CE-CZ3 3.37Å; M73-W84 HydrophobicContact SD-CD2 4.43Å; M73-N87 HydrophobicContact CE-CB 4.32Å; M73-L91 HydrophobicContact CE-CD1 3.86Å; M73-L91 HydrophobicContact SD-CD1 3.98Å; M73-L97 HydrophobicContact SD-CD1 3.72Å; M73-L97 HydrophobicContact SD-CD2 4.25Å; M73-L97 HydrophobicContact SD-CG 4.14Å; M73-H98 PolarHBondContact N-O 3.02Å; M73-T99 PolarHBondContact O-OG1 3.26Å; M73-L143 CarbonylContact C-O 3.58Å; M73-L143 WeakPolarHBondContact CA-O 3.43Å; M73-L143 HydrophobicContact CE-CD1 4.46Å; M73-L143 HydrophobicContact CE-CD2 4.16Å; M73-L143 HydrophobicContact CG-CB 4.42Å; M73-L143 HydrophobicContact CG-CD2 4.43Å
74	V	98.9	Very high	92.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	117	-178	-169.2	0	0	0	0	109.4	F100 L102 L142 L143 H145	V74-F100 HydrophobicContact CG1-CZ 4.43Å; V74-F100 HydrophobicContact CG2-CE1 4.14Å; V74-F100 HydrophobicContact CG2-CZ 4Å; V74-L102 HydrophobicContact CG1-CD1 4.13Å; V74-L102 HydrophobicContact CG1-CD2 3.75Å; V74-L102 HydrophobicContact CG1-CG 4.06Å; V74-L142 HydrophobicContact CG2-CD1 3.8Å; V74-L143 PolarHBondContact N-O 2.91Å; V74-H145 PolarHBondContact O-N 2.92Å
75	H	98.5	Very high	93.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.144	C	C	.	.			trans	-72.1	160.9	-176.8	71.7	75.5	0	0	0	113	G79 F100 D101 L102 G148	H75-G79 PolarHBondContact CE1-O 3.13Å; H75-G79 VanDerWaalsContact CE1-O 3.26Å; H75-F100 PolarHBondContact CD2-O 3.27Å; H75-F100 VanDerWaalsContact CD2-O 3.27Å; H75-D101 WeakPolarHBondContact NE2-CA 3.35Å; H75-L102 PolarHBondContact NE2-N 3.05Å; H75-G148 WeakPolarHBondContact O-CA 3.1Å; H75-G148 PolarHBondContact O-N 3.03Å
76	G	95.4	Very high	94.3	Very high	5 Å²	5	23.6 Å²	23.6	5%	0.052	12%	0.117	C	C	.	.			trans	-79.4	-179.4	175.1	0	0	0	0	0	114.8	G78 G79 H145	G76-G78 PolarHBondContact O-N 3.25Å; G76-G79 PolarHBondContact O-N 3.14Å; G76-G79 VanDerWaalsContact O-N 3.13Å; G76-H145 WeakPolarHBondContact CA-O 3.48Å; G76-H145 PolarHBondContact N-O 3.31Å
77	F	91.4	Very high	95.3	Very high	46 Å²	46	16.7 Å²	16.7	20%	0.202	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	130.4	-179.8	174	-98.2	0	0	0	112.3	G79 F105 L147 P203 L204 E253 F256	F77-G79 PolarHBondContact O-N 2.89Å; F77-F105 AromaticContact CD2-CE1 3.91Å; F77-F105 HydrophobicContact CD2-CE1 3.91Å; F77-F105 AromaticContact CD2-CZ 3.81Å; F77-F105 HydrophobicContact CD2-CZ 3.81Å; F77-F105 HydrophobicContact CE2-CE1 4.07Å; F77-F105 HydrophobicContact CE2-CZ 4.12Å; F77-L147 HydrophobicContact CB-CB 4.16Å; F77-L147 HydrophobicContact CB-CD2 4.12Å; F77-L147 HydrophobicContact CD2-CD2 4.35Å; F77-P203 HydrophobicContact CZ-CG 4.38Å; F77-L204 HydrophobicContact CE1-CD1 4.11Å; F77-L204 HydrophobicContact CZ-CD1 3.95Å; F77-E253 HydrophobicContact CE2-CB 4.43Å; F77-E253 HydrophobicContact CE2-CG 3.85Å; F77-E253 HydrophobicContact CZ-CG 3.87Å; F77-F256 HydrophobicContact CD2-CB 3.83Å; F77-F256 AromaticContact CD2-CD1 3.49Å; F77-F256 HydrophobicContact CD2-CD1 3.49Å; F77-F256 VanDerWaalsContact CD2-CD1 3.49Å; F77-F256 HydrophobicContact CD2-CD2 4.08Å; F77-F256 HydrophobicContact CD2-CE1 4.04Å; F77-F256 AromaticContact CD2-CG 3.51Å; F77-F256 HydrophobicContact CD2-CG 3.51Å; F77-F256 HydrophobicContact CE2-CB 3.81Å; F77-F256 AromaticContact CE2-CD1 3.48Å; F77-F256 HydrophobicContact CE2-CD1 3.48Å; F77-F256 VanDerWaalsContact CE2-CD1 3.48Å; F77-F256 HydrophobicContact CE2-CE1 4.27Å; F77-F256 AromaticContact CE2-CG 3.76Å; F77-F256 HydrophobicContact CE2-CG 3.76Å; F77-F256 HydrophobicContact CG-CD1 4.14Å; F77-F256 HydrophobicContact CG-CE1 4.23Å; F77-F256 HydrophobicContact CG-CG 4.38Å; F77-F256 HydrophobicContact CZ-CD1 4.14Å
78	G	84.4	Confident	96	Very high	10 Å²	10	10.9 Å²	10.9	10%	0.103	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	8	178.9	0	0	0	0	0	114.9	G76 N246	G76-G78 PolarHBondContact O-N 3.25Å; G78-N246 WeakPolarHBondContact CA-OD1 3.46Å; G78-N246 PolarHBondContact O-ND2 3.38Å; G78-N246 PolarHBondContact O-OD1 3.35Å
79	G	90	Very high	96.1	Very high	4 Å²	4	8.4 Å²	8.4	4%	0.041	5%	0.049	C	C	.	.			trans	-87.3	-173.3	174.2	0	0	0	0	0	113.6	H75 G76 F77	H75-G79 PolarHBondContact CE1-O 3.13Å; H75-G79 VanDerWaalsContact CE1-O 3.26Å; G76-G79 PolarHBondContact O-N 3.14Å; G76-G79 VanDerWaalsContact O-N 3.13Å; F77-G79 PolarHBondContact O-N 2.89Å
80	G	95.9	Very high	96	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.058	C	C	.	.			trans	-164.5	177	171.5	0	0	0	0	0	109.9	G82 L83 D101	G80-G82 PolarHBondContact O-N 3.31Å; G80-G82 VanDerWaalsContact O-N 3.09Å; G80-L83 PolarHBondContact O-N 2.97Å; G80-L83 VanDerWaalsContact O-N 3.11Å; G80-D101 WeakPolarHBondContact CA-OD1 3.37Å
81	V	97.8	Very high	96	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-51.6	-35.2	-176.9	-65.4	0	0	0	0	113.3	E32 V59 L83 W84 M88 T99 F100 D101 Y241	E32-V81 HydrophobicContact CG-CG2 4.4Å; E32-V81 VanDerWaalsContact OE2-CG2 3.29Å; E32-V81 WeakPolarHBondContact OE2-CG2 3.47Å; V59-V81 HydrophobicContact CG2-CB 4.18Å; V59-V81 HydrophobicContact CG2-CG1 4.38Å; V59-V81 HydrophobicContact CG2-CG2 3.93Å; V81-L83 PolarHBondContact O-N 3.1Å; V81-L83 VanDerWaalsContact O-N 3.15Å; V81-W84 PolarHBondContact O-N 3.34Å; V81-M88 WeakPolarHBondContact O-CE 3.18Å; V81-T99 HydrophobicContact CB-CG2 3.79Å; V81-T99 HydrophobicContact CG1-CG2 3.71Å; V81-F100 VanDerWaalsContact CG1-C 3.46Å; V81-D101 WeakPolarHBondContact CG1-OD1 3.17Å; V81-D101 PolarHBondContact N-OD1 3.27Å; V81-Y241 PolarHBondContact N-OH 3.2Å
82	G	96.5	Very high	95.9	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-64.2	-19.1	-176.8	0	0	0	0	0	114.4	G80 W84 I85 Y241	G80-G82 PolarHBondContact O-N 3.31Å; G80-G82 VanDerWaalsContact O-N 3.09Å; G82-W84 PolarHBondContact O-N 2.98Å; G82-I85 WeakPolarHBondContact O-CG2 3.29Å; G82-I85 PolarHBondContact O-N 2.81Å; G82-Y241 PolarHBondContact N-OH 2.88Å
83	L	95.9	Very high	95.6	Very high	8 Å²	8	11.7 Å²	11.7	4%	0.042	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-69.8	-19.1	177.6	-64.2	-174	0	0	0	113.1	G80 V81 I85 F225 Y241 I242 Y323	G80-L83 PolarHBondContact O-N 2.97Å; G80-L83 VanDerWaalsContact O-N 3.11Å; V81-L83 PolarHBondContact O-N 3.1Å; V81-L83 VanDerWaalsContact O-N 3.15Å; L83-I85 VanDerWaalsContact C-N 3.31Å; L83-F225 HydrophobicContact CD2-CE1 4.25Å; L83-Y241 HydrophobicContact CD2-CD1 4.36Å; L83-Y241 HydrophobicContact CD2-CE1 4.48Å; L83-Y241 HydrophobicContact CG-CE1 4.42Å; L83-I242 HydrophobicContact CD2-CD1 4.46Å; L83-I242 HydrophobicContact CD2-CG1 4.25Å; L83-Y323 HydrophobicContact CB-CE2 4.19Å; L83-Y323 VanDerWaalsContact O-CE2 3.26Å; L83-Y323 WeakPolarHBondContact O-CE2 3.47Å
84	W	97.8	Very high	95.2	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-87.7	6.7	179.3	-60.4	120.4	0	0	0	114	M73 V81 G82 L86 N87 M88 L143 H145 Y323 F330	M73-W84 HydrophobicContact CB-CD2 4.48Å; M73-W84 HydrophobicContact CB-CZ2 4.26Å; M73-W84 HydrophobicContact CE-CD2 3.5Å; M73-W84 VanDerWaalsContact CE-CD2 3.5Å; M73-W84 HydrophobicContact CE-CE3 3.17Å; M73-W84 HydrophobicContact CE-CG 4.12Å; M73-W84 HydrophobicContact CE-CH2 3.88Å; M73-W84 HydrophobicContact CE-CZ2 4.2Å; M73-W84 HydrophobicContact CE-CZ3 3.37Å; M73-W84 HydrophobicContact SD-CD2 4.43Å; V81-W84 PolarHBondContact O-N 3.34Å; G82-W84 PolarHBondContact O-N 2.98Å; W84-L86 PolarHBondContact O-N 2.89Å; W84-L86 VanDerWaalsContact O-N 3.11Å; W84-N87 WeakPolarHBondContact O-CA 3.22Å; W84-N87 WeakPolarHBondContact O-CB 3.42Å; W84-N87 PolarHBondContact O-N 3Å; W84-M88 HydrophobicContact CB-CE 3.74Å; W84-M88 HydrophobicContact CB-CG 4.2Å; W84-M88 WeakPolarHBondContact O-CG 3.47Å; W84-M88 PolarHBondContact O-N 3.11Å; W84-L143 HydrophobicContact CH2-CD2 3.63Å; W84-L143 HydrophobicContact CZ2-CD2 4.17Å; W84-L143 HydrophobicContact CZ3-CD2 4.31Å; W84-H145 HydrophobicContact CH2-CB 3.72Å; W84-H145 HydrophobicContact CZ2-CB 3.97Å; W84-Y323 HydrophobicContact CE3-CD1 4.18Å; W84-Y323 AromaticContact CE3-CD2 3.74Å; W84-Y323 HydrophobicContact CE3-CD2 3.74Å; W84-Y323 HydrophobicContact CE3-CE2 4.18Å; W84-Y323 AromaticContact CE3-CG 3.75Å; W84-Y323 HydrophobicContact CE3-CG 3.75Å; W84-Y323 AromaticContact CH2-CD1 3.88Å; W84-Y323 HydrophobicContact CH2-CD1 3.88Å; W84-Y323 HydrophobicContact CH2-CE1 4.13Å; W84-Y323 HydrophobicContact CH2-CG 4.24Å; W84-Y323 AromaticContact CZ3-CD1 3.42Å; W84-Y323 HydrophobicContact CZ3-CD1 3.42Å; W84-Y323 VanDerWaalsContact CZ3-CD1 3.42Å; W84-Y323 AromaticContact CZ3-CD2 3.83Å; W84-Y323 HydrophobicContact CZ3-CD2 3.83Å; W84-Y323 AromaticContact CZ3-CE1 3.96Å; W84-Y323 HydrophobicContact CZ3-CE1 3.96Å; W84-Y323 HydrophobicContact CZ3-CE2 4.35Å; W84-Y323 AromaticContact CZ3-CG 3.33Å; W84-Y323 HydrophobicContact CZ3-CG 3.33Å; W84-F330 HydrophobicContact CZ3-CE1 4.44Å; W84-F330 HydrophobicContact CZ3-CZ 4.37Å
85	I	97	Very high	95	Very high	3 Å²	3	16.3 Å²	16.3	2%	0.015	10%	0.095	C	C	.	.	H	α-helix	trans	-56.2	-33.1	-172.6	-171.8	61.6	0	0	0	113.2	I35 C38 L39 G82 L83 N87 F229 F232 F233	I35-I85 HydrophobicContact CG2-CB 3.73Å; I35-I85 HydrophobicContact CG2-CD1 4.2Å; I35-I85 HydrophobicContact CG2-CG1 3.84Å; I35-I85 HydrophobicContact CG2-CG2 3.99Å; I35-I85 VanDerWaalsContact O-CD1 3.22Å; I35-I85 WeakPolarHBondContact O-CD1 3.36Å; C38-I85 HydrophobicContact CB-CD1 4.22Å; C38-I85 HydrophobicContact CB-CG1 4.25Å; L39-I85 HydrophobicContact CD2-CD1 3.53Å; L39-I85 HydrophobicContact CG-CD1 3.63Å; G82-I85 WeakPolarHBondContact O-CG2 3.29Å; G82-I85 PolarHBondContact O-N 2.81Å; L83-I85 VanDerWaalsContact C-N 3.31Å; I85-N87 PolarHBondContact O-N 3.03Å; I85-F229 HydrophobicContact CG2-CD1 3.98Å; I85-F229 HydrophobicContact CG2-CE1 3.72Å; I85-F232 HydrophobicContact CG1-CD1 4.41Å; I85-F233 HydrophobicContact CG2-CE2 4.3Å
86	L	96.7	Very high	94.9	Very high	19 Å²	19	17 Å²	17	10%	0.099	10%	0.099	C	C	.	.	H	α-helix	trans	-72.6	-7.9	177.8	-54.8	178.3	0	0	0	113.8	W84 F229 F232 A324 P327 N331	W84-L86 PolarHBondContact O-N 2.89Å; W84-L86 VanDerWaalsContact O-N 3.11Å; L86-F229 HydrophobicContact CD1-CD1 3.77Å; L86-F229 HydrophobicContact CD1-CE1 3.65Å; L86-F229 HydrophobicContact CD1-CG 4.33Å; L86-F229 HydrophobicContact CD1-CZ 4.12Å; L86-F229 HydrophobicContact CD2-CD1 4.15Å; L86-F229 HydrophobicContact CD2-CE1 4.44Å; L86-F229 HydrophobicContact CG-CD1 3.87Å; L86-F229 HydrophobicContact CG-CE1 3.7Å; L86-F232 HydrophobicContact CD2-CB 4.34Å; L86-F232 HydrophobicContact CD2-CD1 4.11Å; L86-F232 HydrophobicContact CD2-CD2 3.09Å; L86-F232 HydrophobicContact CD2-CE1 4.18Å; L86-F232 HydrophobicContact CD2-CE2 3.19Å; L86-F232 HydrophobicContact CD2-CG 3.59Å; L86-F232 HydrophobicContact CD2-CZ 3.75Å; L86-A324 HydrophobicContact CD1-CB 4.17Å; L86-P327 HydrophobicContact CB-CB 3.86Å; L86-P327 HydrophobicContact CD1-CB 4.48Å; L86-P327 HydrophobicContact CD1-CG 4.45Å; L86-N331 PolarHBondContact O-ND2 2.56Å; L86-N331 VanDerWaalsContact O-ND2 3.15Å
87	N	98	Very high	95.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-119.1	-34.1	-170.7	-45	106.1	0	0	0	112	M73 W84 I85 D89 S90 L91 Y323 F330 N331	M73-N87 HydrophobicContact CE-CB 4.32Å; W84-N87 WeakPolarHBondContact O-CA 3.22Å; W84-N87 WeakPolarHBondContact O-CB 3.42Å; W84-N87 PolarHBondContact O-N 3Å; I85-N87 PolarHBondContact O-N 3.03Å; N87-D89 PolarHBondContact O-N 3.23Å; N87-S90 PolarHBondContact O-N 2.92Å; N87-L91 HydrophobicContact CB-CD1 3.87Å; N87-L91 HydrophobicContact CB-CG 4.4Å; N87-L91 WeakPolarHBondContact O-CB 3.24Å; N87-L91 VanDerWaalsContact O-CG 3.29Å; N87-L91 WeakPolarHBondContact O-CG 3.42Å; N87-L91 PolarHBondContact O-N 2.97Å; N87-Y323 PolarHBondContact ND2-O 3.21Å; N87-F330 WeakPolarHBondContact ND2-CD1 3.34Å; N87-N331 WeakPolarHBondContact CA-OD1 3.4Å; N87-N331 WeakPolarHBondContact CB-OD1 3.29Å; N87-N331 PolarHBondContact ND2-OD1 2.86Å
88	M	97.3	Very high	95.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-53.3	-50.1	-170.9	-76	-173.4	-163.6	0	0	113.6	L36 L39 V59 V61 V81 W84 S92 L97 T99	L36-M88 HydrophobicContact CD2-CE 4.44Å; L36-M88 HydrophobicContact CD2-SD 4.39Å; L39-M88 HydrophobicContact CD1-SD 3.93Å; L39-M88 HydrophobicContact CD2-CB 3.52Å; L39-M88 HydrophobicContact CD2-CG 4.33Å; L39-M88 HydrophobicContact CD2-SD 3.98Å; V59-M88 HydrophobicContact CG1-SD 4.39Å; V61-M88 HydrophobicContact CG2-CB 4.38Å; V61-M88 HydrophobicContact CG2-SD 4.26Å; V81-M88 WeakPolarHBondContact O-CE 3.18Å; W84-M88 HydrophobicContact CB-CE 3.74Å; W84-M88 HydrophobicContact CB-CG 4.2Å; W84-M88 WeakPolarHBondContact O-CG 3.47Å; W84-M88 PolarHBondContact O-N 3.11Å; M88-S92 WeakPolarHBondContact O-CB 3.5Å; M88-S92 PolarHBondContact O-N 2.8Å; M88-S92 PolarHBondContact O-OG 3.13Å; M88-L97 HydrophobicContact CG-CD2 4.2Å; M88-T99 HydrophobicContact CE-CG2 3.47Å; M88-T99 VanDerWaalsContact CE-CG2 3.47Å
89	D	95.6	Very high	96.1	Very high	34 Å²	34	15 Å²	15	18%	0.182	9%	0.086	C	C	.	.	H	α-helix	trans	-64.9	-43.5	-175.6	-80.6	-31.4	0	0	0	112.8	Q40 N41 N87 S92 A93	Q40-D89 PolarHBondContact N-OD1 3.18Å; Q40-D89 PolarHBondContact N-OD2 2.86Å; N41-D89 VanDerWaalsContact CB-OD1 3.29Å; N41-D89 WeakPolarHBondContact CB-OD1 3.45Å; N41-D89 PolarHBondContact N-OD1 3.35Å; N41-D89 WeakPolarHBondContact ND2-CA 3.38Å; N41-D89 PolarHBondContact ND2-O 3.32Å; N41-D89 PolarHBondContact ND2-OD1 3.34Å; N87-D89 PolarHBondContact O-N 3.23Å; D89-S92 PolarHBondContact O-OG 2.86Å; D89-A93 PolarHBondContact O-N 2.83Å
90	S	95.8	Very high	96.5	Very high	48 Å²	48	14.9 Å²	14.9	34%	0.336	8%	0.084	S	C	.	.	H	α-helix	trans	-64.3	-53.7	177.8	-161.2	0	0	0	0	110.4	N87 S92 A93 N331 E335	N87-S90 PolarHBondContact O-N 2.92Å; S90-S92 PolarHBondContact O-N 3.14Å; S90-A93 VanDerWaalsContact O-CB 3.22Å; S90-A93 WeakPolarHBondContact O-CB 3.22Å; S90-A93 PolarHBondContact O-N 3.25Å; S90-A93 VanDerWaalsContact O-N 3.08Å; S90-N331 WeakPolarHBondContact CB-ND2 3.17Å; S90-E335 VanDerWaalsContact C-OE1 3.29Å; S90-E335 WeakPolarHBondContact CB-OE1 3.34Å; S90-E335 PolarHBondContact OG-OE1 3.25Å
91	L	96.9	Very high	96.6	Very high	6 Å²	6	14.9 Å²	14.9	3%	0.031	8%	0.084	C	C	.	.	H	α-helix	trans	-71.7	-19.2	-172.6	-62.9	-175.4	0	0	0	113.4	L71 M73 N87 L97 F330 N331 V334 E335	L71-L91 HydrophobicContact CD2-CB 4.04Å; L71-L91 HydrophobicContact CD2-CD1 4Å; M73-L91 HydrophobicContact CE-CD1 3.86Å; M73-L91 HydrophobicContact SD-CD1 3.98Å; N87-L91 HydrophobicContact CB-CD1 3.87Å; N87-L91 HydrophobicContact CB-CG 4.4Å; N87-L91 WeakPolarHBondContact O-CB 3.24Å; N87-L91 VanDerWaalsContact O-CG 3.29Å; N87-L91 WeakPolarHBondContact O-CG 3.42Å; N87-L91 PolarHBondContact O-N 2.97Å; L91-L97 HydrophobicContact CB-CD1 3.51Å; L91-F330 HydrophobicContact CD1-CE1 4.49Å; L91-N331 HydrophobicContact CD2-CB 4.04Å; L91-N331 HydrophobicContact CG-CB 4.48Å; L91-V334 HydrophobicContact CD1-CB 4.47Å; L91-V334 HydrophobicContact CD1-CG1 4.03Å; L91-V334 HydrophobicContact CD2-CB 3.84Å; L91-V334 HydrophobicContact CD2-CG1 3.74Å; L91-E335 HydrophobicContact CD2-CG 3.8Å
92	S	95.9	Very high	96.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	0.6	174.3	74.6	0	0	0	0	114.2	N41 V61 P63 M88 D89 S90 R94 R95	N41-S92 PolarHBondContact ND2-OG 2.99Å; V61-S92 WeakPolarHBondContact CG1-OG 3.46Å; P63-S92 WeakPolarHBondContact CD-O 3.37Å; M88-S92 WeakPolarHBondContact O-CB 3.5Å; M88-S92 PolarHBondContact O-N 2.8Å; M88-S92 PolarHBondContact O-OG 3.13Å; D89-S92 PolarHBondContact O-OG 2.86Å; S90-S92 PolarHBondContact O-N 3.14Å; S92-R94 PolarHBondContact O-N 3.16Å; S92-R95 CarbonylContact C-O 3.58Å; S92-R95 WeakPolarHBondContact CA-O 3.43Å
93	A	92.5	Very high	96.8	Very high	62 Å²	62	14.9 Å²	14.9	51%	0.512	8%	0.084	S	C	.	.	S	Bend	trans	-61.6	-31	-173.1	0	0	0	0	0	113.4	D89 S90	D89-A93 PolarHBondContact O-N 2.83Å; S90-A93 VanDerWaalsContact O-CB 3.22Å; S90-A93 WeakPolarHBondContact O-CB 3.22Å; S90-A93 PolarHBondContact O-N 3.25Å; S90-A93 VanDerWaalsContact O-N 3.08Å
94	R	91.1	Very high	96.8	Very high	92 Å²	92	14.5 Å²	14.5	35%	0.347	8%	0.082	S	C	.	.	S	Bend	trans	-126.8	-6.5	-174.7	-60.1	-179.6	-60.9	-172.5	2	114.7	R68 S92 D339	R68-R94 WeakPolarHBondContact CD-O 3.19Å; S92-R94 PolarHBondContact O-N 3.16Å; R94-D339 IonicContact CZ-OD1 2.74Å; R94-D339 IonicContact CZ-OD2 3.79Å; R94-D339 IonicContact NE-OD1 2.73Å; R94-D339 IonicContact NH1-OD1 3.12Å; R94-D339 PolarHBondContact NH1-OD1 3.03Å; R94-D339 IonicContact NH1-OD2 3.52Å; R94-D339 PolarHBondContact NH1-OD2 3.13Å; R94-D339 IonicContact NH2-OD1 3.07Å; R94-D339 PolarHBondContact NH2-OD1 3.36Å; R94-D339 IonicContact NH2-OD2 2.63Å; R94-D339 PolarHBondContact NH2-OD2 3.38Å
95	R	94.6	Very high	96.7	Very high	6 Å²	6	14.6 Å²	14.6	2%	0.023	8%	0.083	C	C	.	.	S	Bend	trans	-146.6	155.6	-179.5	65.3	-172.4	63.7	-122.4	-0.7	110.6	P63 R68 T69 L71 S92 L97 C338 D339 D342	P63-R95 VanDerWaalsContact CD-O 3.24Å; P63-R95 WeakPolarHBondContact CD-O 3.37Å; R68-R95 HydrophobicContact CB-CB 3.92Å; T69-R95 PolarHBondContact O-NH1 3.25Å; L71-R95 HydrophobicContact CB-CG 4.44Å; S92-R95 CarbonylContact C-O 3.58Å; S92-R95 WeakPolarHBondContact CA-O 3.43Å; R95-L97 PolarHBondContact O-N 3.31Å; R95-C338 VanDerWaalsContact CZ-CB 3.42Å; R95-C338 PolarHBondContact NH2-O 3.03Å; R95-D339 IonicContact NH2-OD1 2.66Å; R95-D342 IonicContact CZ-OD2 3.46Å; R95-D342 IonicContact NH1-OD1 3.97Å; R95-D342 IonicContact NH1-OD2 3.75Å; R95-D342 PolarHBondContact NH1-OD2 3.4Å; R95-D342 IonicContact NH2-OD2 2.72Å; R95-D342 PolarHBondContact NH2-OD2 3.23Å
96	T	97.1	Very high	96.7	Very high	15 Å²	15	14.5 Å²	14.5	9%	0.092	8%	0.082	C	C	.	.			trans	-66.3	128.9	173.3	-61.5	0	0	0	0	109.5	T60 P70 L71 H98	T60-T96 HydrophobicContact CG2-CG2 3.71Å; P70-T96 CarbonylContact C-O 3.55Å; P70-T96 VanDerWaalsContact CA-O 3.22Å; P70-T96 WeakPolarHBondContact CA-O 3.43Å; P70-T96 WeakPolarHBondContact CB-O 3.42Å; L71-T96 PolarHBondContact N-O 2.51Å; T96-H98 WeakPolarHBondContact CG2-NE2 3.48Å
97	L	98.1	Very high	96.7	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127.5	174.9	-175.8	153.8	0	0	0	109	T60 V61 L71 M73 M88 L91 R95	T60-L97 CarbonylContact C-O 3.55Å; T60-L97 WeakPolarHBondContact CA-O 3.24Å; V61-L97 PolarHBondContact N-O 2.97Å; V61-L97 PolarHBondContact O-N 3.04Å; L71-L97 HydrophobicContact CD2-CD1 4.25Å; L71-L97 CarbonylContact O-C 3.52Å; L71-L97 WeakPolarHBondContact O-CA 3.13Å; M73-L97 HydrophobicContact SD-CD1 3.72Å; M73-L97 HydrophobicContact SD-CD2 4.25Å; M73-L97 HydrophobicContact SD-CG 4.14Å; M88-L97 HydrophobicContact CG-CD2 4.2Å; L91-L97 HydrophobicContact CB-CD1 3.51Å; R95-L97 PolarHBondContact O-N 3.31Å
98	H	98.7	Very high	96.7	Very high	17 Å²	17	14.6 Å²	14.6	8%	0.079	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	135.1	168.7	-53.7	-78.4	0	0	0	110	V59 T60 L71 V72 M73 T96 W131 M135	V59-H98 WeakPolarHBondContact O-CA 3.5Å; T60-H98 WeakPolarHBondContact CG2-CE1 3.44Å; T60-H98 VanDerWaalsContact CG2-ND1 3.35Å; T60-H98 WeakPolarHBondContact CG2-ND1 3.25Å; T60-H98 PolarHBondContact OG1-ND1 2.78Å; L71-H98 PolarHBondContact O-N 2.83Å; V72-H98 CarbonylContact C-O 3.59Å; V72-H98 VanDerWaalsContact CA-O 3.31Å; V72-H98 WeakPolarHBondContact CA-O 3.44Å; V72-H98 HydrophobicContact CG2-CB 4.19Å; M73-H98 PolarHBondContact N-O 3.02Å; T96-H98 WeakPolarHBondContact CG2-NE2 3.48Å; H98-W131 HydrophobicContact CB-CH2 3.85Å; H98-W131 HydrophobicContact CB-CZ2 4.04Å; H98-M135 WeakPolarHBondContact ND1-CE 3.44Å
99	T	98.8	Very high	96.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	152.4	163.3	-177.3	0	0	0	0	108.6	T58 V59 M73 V81 M88	T58-T99 WeakPolarHBondContact CA-O 3.18Å; V59-T99 HydrophobicContact CB-CG2 3.98Å; V59-T99 PolarHBondContact N-O 2.82Å; V59-T99 PolarHBondContact O-N 2.94Å; V59-T99 VanDerWaalsContact O-O 3.1Å; M73-T99 PolarHBondContact O-OG1 3.26Å; V81-T99 HydrophobicContact CB-CG2 3.79Å; V81-T99 HydrophobicContact CG1-CG2 3.71Å; M88-T99 HydrophobicContact CE-CG2 3.47Å; M88-T99 VanDerWaalsContact CE-CG2 3.47Å
100	F	98.8	Very high	96.8	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.009	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	157.4	179.6	60.1	-84.3	0	0	0	110.9	I56 W57 T58 V72 V74 H75 V81 L102 I128 W131	I56-F100 HydrophobicContact CG2-CB 3.73Å; I56-F100 HydrophobicContact CG2-CD2 3.78Å; I56-F100 HydrophobicContact CG2-CG 4.07Å; W57-F100 CarbonylContact O-C 3.56Å; W57-F100 WeakPolarHBondContact O-CA 3.4Å; W57-F100 VanDerWaalsContact O-CB 3.29Å; W57-F100 WeakPolarHBondContact O-CB 3.38Å; T58-F100 HydrophobicContact CG2-CB 4.43Å; V72-F100 HydrophobicContact CG1-CD1 4.36Å; V72-F100 HydrophobicContact CG1-CE1 3.73Å; V74-F100 HydrophobicContact CG1-CZ 4.43Å; V74-F100 HydrophobicContact CG2-CE1 4.14Å; V74-F100 HydrophobicContact CG2-CZ 4Å; H75-F100 PolarHBondContact CD2-O 3.27Å; H75-F100 VanDerWaalsContact CD2-O 3.27Å; V81-F100 VanDerWaalsContact CG1-C 3.46Å; F100-L102 HydrophobicContact CE2-CD2 4Å; F100-I128 HydrophobicContact CE2-CG1 4.06Å; F100-I128 HydrophobicContact CZ-CG1 3.94Å; F100-I128 HydrophobicContact CZ-CG2 4.18Å; F100-W131 HydrophobicContact CB-CZ2 4.3Å; F100-W131 HydrophobicContact CD1-CD2 4.08Å; F100-W131 AromaticContact CD1-CE2 3.79Å; F100-W131 HydrophobicContact CD1-CE3 4.07Å; F100-W131 AromaticContact CD1-CH2 3.58Å; F100-W131 HydrophobicContact CD1-CH2 3.58Å; F100-W131 AromaticContact CD1-CZ2 3.54Å; F100-W131 HydrophobicContact CD1-CZ2 3.54Å; F100-W131 AromaticContact CD1-CZ3 3.85Å; F100-W131 HydrophobicContact CD1-CZ3 3.85Å; F100-W131 HydrophobicContact CE1-CD2 4.3Å; F100-W131 AromaticContact CE1-CE3 3.88Å; F100-W131 HydrophobicContact CE1-CE3 3.88Å; F100-W131 AromaticContact CE1-CH2 3.82Å; F100-W131 HydrophobicContact CE1-CH2 3.82Å; F100-W131 HydrophobicContact CE1-CZ2 4.22Å; F100-W131 AromaticContact CE1-CZ3 3.64Å; F100-W131 HydrophobicContact CE1-CZ3 3.64Å; F100-W131 HydrophobicContact CG-CD2 4.34Å; F100-W131 HydrophobicContact CG-CZ2 4.16Å; F100-W131 HydrophobicContact CZ-CE3 4.34Å; F100-W131 HydrophobicContact CZ-CZ3 4.47Å
101	D	98.8	Very high	96.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.084	C	C	.	.	P	Polyproline II helix	trans	-79.7	124.4	169.7	-70.4	-20.2	0	0	0	108.8	W57 H75 G80 V81 G106 R107 S108	W57-D101 HydrophobicContact CB-CB 4.29Å; W57-D101 PolarHBondContact O-N 2.82Å; H75-D101 WeakPolarHBondContact NE2-CA 3.35Å; G80-D101 WeakPolarHBondContact CA-OD1 3.37Å; V81-D101 WeakPolarHBondContact CG1-OD1 3.17Å; V81-D101 PolarHBondContact N-OD1 3.27Å; D101-G106 WeakPolarHBondContact OD2-CA 3.48Å; D101-R107 WeakPolarHBondContact OD2-CB 3.39Å; D101-R107 PolarHBondContact OD2-N 2.93Å; D101-S108 WeakPolarHBondContact CB-OG 2.88Å; D101-S108 WeakPolarHBondContact O-CB 3.5Å; D101-S108 PolarHBondContact O-OG 2.78Å
102	L	98.6	Very high	96.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-54.6	146.1	174.4	-75.4	168	0	0	0	110.7	V74 H75 F100 G104 F105 F124 I128 L151	V74-L102 HydrophobicContact CG1-CD1 4.13Å; V74-L102 HydrophobicContact CG1-CD2 3.75Å; V74-L102 HydrophobicContact CG1-CG 4.06Å; H75-L102 PolarHBondContact NE2-N 3.05Å; F100-L102 HydrophobicContact CE2-CD2 4Å; L102-G104 PolarHBondContact O-N 3.17Å; L102-F105 HydrophobicContact CB-CB 4.38Å; L102-F105 HydrophobicContact CB-CD2 3.75Å; L102-F105 HydrophobicContact CB-CG 4.49Å; L102-F105 WeakPolarHBondContact O-CB 3.07Å; L102-F105 PolarHBondContact O-N 3.15Å; L102-F124 HydrophobicContact CB-CE1 4.45Å; L102-F124 HydrophobicContact CD2-CD1 4.5Å; L102-I128 HydrophobicContact CD2-CD1 4.11Å; L102-I128 HydrophobicContact CD2-CG1 4.34Å; L102-L151 HydrophobicContact CD1-CD1 3.88Å; L102-L151 HydrophobicContact CD2-CD1 3.86Å
103	L	98.3	Very high	96.7	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	129.9	172.6	-172.5	70.1	0	0	0	109.7	N54 I56 S109 P111 F113 E123 F124	N54-L103 HydrophobicContact CB-CD1 3.92Å; I56-L103 HydrophobicContact CD1-CB 4.08Å; I56-L103 HydrophobicContact CD1-CD1 4.01Å; L103-S109 WeakPolarHBondContact CD1-O 3.27Å; L103-P111 HydrophobicContact CD1-CG 3.88Å; L103-P111 HydrophobicContact CD2-CG 3.79Å; L103-P111 HydrophobicContact CG-CG 3.81Å; L103-F113 HydrophobicContact CB-CZ 4.04Å; L103-F113 HydrophobicContact CD2-CE1 4.42Å; L103-F113 HydrophobicContact CD2-CE2 4.29Å; L103-F113 HydrophobicContact CD2-CZ 3.76Å; L103-F113 HydrophobicContact CG-CE2 4.16Å; L103-F113 HydrophobicContact CG-CZ 3.84Å; L103-E123 HydrophobicContact CD2-CG 4.16Å; L103-F124 WeakPolarHBondContact O-CE1 3.21Å
104	G	96.5	Very high	96.9	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	-2.1	-175.2	0	0	0	0	0	116	L102 S109 S251 G252	L102-G104 PolarHBondContact O-N 3.17Å; G104-S109 WeakPolarHBondContact CA-O 3.18Å; G104-S109 PolarHBondContact N-O 2.93Å; G104-S251 WeakPolarHBondContact CA-OG 3.25Å; G104-G252 PolarHBondContact O-N 3Å
105	F	96.5	Very high	97	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.009	14%	0.138	C	C	.	.	S	Bend	trans	-126.3	166	179.6	-66.2	-81.5	0	0	0	113	F77 L102 R107 S108 F124 L147 G252	F77-F105 AromaticContact CD2-CE1 3.91Å; F77-F105 HydrophobicContact CD2-CE1 3.91Å; F77-F105 AromaticContact CD2-CZ 3.81Å; F77-F105 HydrophobicContact CD2-CZ 3.81Å; F77-F105 HydrophobicContact CE2-CE1 4.07Å; F77-F105 HydrophobicContact CE2-CZ 4.12Å; L102-F105 HydrophobicContact CB-CB 4.38Å; L102-F105 HydrophobicContact CB-CD2 3.75Å; L102-F105 HydrophobicContact CB-CG 4.49Å; L102-F105 WeakPolarHBondContact O-CB 3.07Å; L102-F105 PolarHBondContact O-N 3.15Å; F105-R107 PolarHBondContact O-N 3.37Å; F105-S108 PolarHBondContact O-N 3.34Å; F105-F124 HydrophobicContact CD2-CE1 4.25Å; F105-F124 AromaticContact CE2-CE1 3.9Å; F105-F124 HydrophobicContact CE2-CE1 3.9Å; F105-F124 AromaticContact CE2-CZ 3.8Å; F105-F124 HydrophobicContact CE2-CZ 3.8Å; F105-L147 HydrophobicContact CE2-CD2 4.26Å; F105-L147 HydrophobicContact CZ-CD2 4.25Å; F105-G252 VanDerWaalsContact CZ-C 3.43Å
106	G	95.3	Very high	97	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	-124.7	176.7	0	0	0	0	0	112.3	L28 D101 R110 Q248	L28-G106 WeakPolarHBondContact CD2-O 3.36Å; D101-G106 WeakPolarHBondContact OD2-CA 3.48Å; G106-R110 PolarHBondContact O-NH2 3.14Å; G106-Q248 PolarHBondContact O-NE2 3.12Å
107	R	97.4	Very high	96.9	Very high	16 Å²	16	29.8 Å²	29.8	6%	0.06	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-6.2	178.9	-62.6	174.4	58.5	174.2	-6	114	M25 L28 E32 Y47 W57 D101 F105	M25-R107 HydrophobicContact CE-CB 3.94Å; M25-R107 HydrophobicContact CE-CG 4Å; L28-R107 HydrophobicContact CD2-CB 4.49Å; L28-R107 HydrophobicContact CD2-CG 3.49Å; L28-R107 VanDerWaalsContact CD2-CG 3.49Å; L28-R107 HydrophobicContact CG-CG 3.74Å; E32-R107 WeakPolarHBondContact OE1-CD 3.39Å; E32-R107 IonicContact OE1-CZ 3.37Å; E32-R107 IonicContact OE1-NE 3.79Å; E32-R107 IonicContact OE1-NH1 3.16Å; E32-R107 PolarHBondContact OE1-NH1 3.36Å; E32-R107 WeakPolarHBondContact OE2-CD 3.35Å; Y47-R107 WeakPolarHBondContact CE1-O 3.49Å; W57-R107 HydrophobicContact CB-CB 3.73Å; W57-R107 HydrophobicContact CD2-CB 4.39Å; W57-R107 VanDerWaalsContact CE2-NH1 3.34Å; W57-R107 HydrophobicContact CG-CB 3.74Å; W57-R107 HydrophobicContact CG-CG 4.48Å; W57-R107 VanDerWaalsContact CZ2-NH2 3.35Å; W57-R107 VanDerWaalsContact CZ3-NH2 3.27Å; D101-R107 WeakPolarHBondContact OD2-CB 3.39Å; D101-R107 PolarHBondContact OD2-N 2.93Å; F105-R107 PolarHBondContact O-N 3.37Å
108	S	98.4	Very high	96.9	Very high	5 Å²	5	35.4 Å²	35.4	4%	0.035	19%	0.187	C	C	.	.	S	Bend	trans	-69.2	160.6	177.3	-73.5	0	0	0	0	112.2	K55 I56 W57 D101 F105	K55-S108 WeakPolarHBondContact O-CA 3.1Å; I56-S108 WeakPolarHBondContact CA-OG 3.33Å; W57-S108 PolarHBondContact N-OG 2.96Å; D101-S108 WeakPolarHBondContact CB-OG 2.88Å; D101-S108 WeakPolarHBondContact O-CB 3.5Å; D101-S108 PolarHBondContact O-OG 2.78Å; F105-S108 PolarHBondContact O-N 3.34Å
109	S	97.8	Very high	96.9	Very high	32 Å²	32	35.5 Å²	35.5	22%	0.224	19%	0.192	C	C	.	.			trans	-53.3	148.2	175.3	-73.8	0	0	0	0	112	N54 K55 L103 G104 P111	N54-S109 WeakPolarHBondContact CA-OG 3.3Å; N54-S109 VanDerWaalsContact OD1-CB 3.27Å; N54-S109 WeakPolarHBondContact OD1-CB 3.26Å; K55-S109 PolarHBondContact N-OG 2.8Å; K55-S109 PolarHBondContact O-N 3.3Å; L103-S109 WeakPolarHBondContact CD1-O 3.27Å; G104-S109 WeakPolarHBondContact CA-O 3.18Å; G104-S109 PolarHBondContact N-O 2.93Å; S109-P111 VanDerWaalsContact O-CD 3.26Å; S109-P111 WeakPolarHBondContact O-CD 3.5Å
110	R	96.3	Very high	96.9	Very high	40 Å²	40	35.5 Å²	35.5	15%	0.151	19%	0.192	C	C	.	.			trans	-120.8	63.7	-174.9	-66.9	-179.3	176.5	-120.9	-2.2	112.2	G106 C245 Q248 N249	G106-R110 PolarHBondContact O-NH2 3.14Å; R110-C245 PolarHBondContact NH2-O 2.69Å; R110-Q248 VanDerWaalsContact NH2-CD 3.26Å; R110-N249 WeakPolarHBondContact CD-O 3.39Å; R110-N249 PolarHBondContact NH1-O 2.55Å
111	P	96.5	Very high	96.8	Very high	30 Å²	30	36 Å²	36	20%	0.195	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-69	169.2	-179.6	31.9	-36	0	0	0	112	L103 S109 F113 S251	L103-P111 HydrophobicContact CD1-CG 3.88Å; L103-P111 HydrophobicContact CD2-CG 3.79Å; L103-P111 HydrophobicContact CG-CG 3.81Å; S109-P111 VanDerWaalsContact O-CD 3.26Å; S109-P111 WeakPolarHBondContact O-CD 3.5Å; P111-F113 HydrophobicContact CG-CE2 4.21Å; P111-F113 PolarHBondContact O-N 2.9Å; P111-S251 VanDerWaalsContact O-CB 3.29Å; P111-S251 WeakPolarHBondContact O-CB 3.32Å; P111-S251 PolarHBondContact O-OG 3.26Å
112	A	95.8	Very high	96.8	Very high	103 Å²	103	39.6 Å²	39.6	85%	0.851	21%	0.213	S	C	*	.	P	Polyproline II helix	trans	-73.2	127	166.9	0	0	0	0	0	109.4
113	F	95.9	Very high	96.8	Very high	16 Å²	16	42.1 Å²	42.1	7%	0.07	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-90.4	155.7	173.8	-82.8	-105.5	0	0	0	111.4	L103 P111 E123 F124 S251 A255	L103-F113 HydrophobicContact CB-CZ 4.04Å; L103-F113 HydrophobicContact CD2-CE1 4.42Å; L103-F113 HydrophobicContact CD2-CE2 4.29Å; L103-F113 HydrophobicContact CD2-CZ 3.76Å; L103-F113 HydrophobicContact CG-CE2 4.16Å; L103-F113 HydrophobicContact CG-CZ 3.84Å; P111-F113 HydrophobicContact CG-CE2 4.21Å; P111-F113 PolarHBondContact O-N 2.9Å; F113-E123 HydrophobicContact CD1-CB 3.77Å; F113-E123 HydrophobicContact CD1-CG 3.66Å; F113-E123 HydrophobicContact CE1-CB 3.8Å; F113-E123 HydrophobicContact CE1-CG 3.53Å; F113-E123 HydrophobicContact CG-CG 4.47Å; F113-E123 HydrophobicContact CZ-CG 4.25Å; F113-F124 HydrophobicContact CD1-CE2 4.36Å; F113-F124 AromaticContact CE1-CD1 3.96Å; F113-F124 HydrophobicContact CE1-CD1 3.96Å; F113-F124 AromaticContact CE1-CD2 3.92Å; F113-F124 HydrophobicContact CE1-CD2 3.92Å; F113-F124 AromaticContact CE1-CE1 3.91Å; F113-F124 HydrophobicContact CE1-CE1 3.91Å; F113-F124 AromaticContact CE1-CE2 3.86Å; F113-F124 HydrophobicContact CE1-CE2 3.86Å; F113-F124 AromaticContact CE1-CG 3.95Å; F113-F124 HydrophobicContact CE1-CG 3.95Å; F113-F124 AromaticContact CE1-CZ 3.84Å; F113-F124 HydrophobicContact CE1-CZ 3.84Å; F113-F124 HydrophobicContact CZ-CD1 4.02Å; F113-F124 AromaticContact CZ-CE1 3.71Å; F113-F124 HydrophobicContact CZ-CE1 3.71Å; F113-F124 HydrophobicContact CZ-CE2 4.37Å; F113-F124 HydrophobicContact CZ-CG 4.48Å; F113-F124 AromaticContact CZ-CZ 3.87Å; F113-F124 HydrophobicContact CZ-CZ 3.87Å; F113-S251 WeakPolarHBondContact CD2-OG 3.48Å; F113-S251 WeakPolarHBondContact CE2-OG 3.27Å; F113-A255 HydrophobicContact CB-CB 3.66Å; F113-A255 HydrophobicContact CD1-CB 3.42Å; F113-A255 VanDerWaalsContact CD1-CB 3.42Å; F113-A255 HydrophobicContact CD2-CB 3.99Å; F113-A255 HydrophobicContact CE1-CB 3.96Å; F113-A255 HydrophobicContact CE2-CB 4.48Å; F113-A255 HydrophobicContact CG-CB 3.43Å; F113-A255 VanDerWaalsContact CG-CB 3.43Å; F113-A255 HydrophobicContact CZ-CB 4.46Å
114	P	96	Very high	96.8	Very high	43 Å²	43	42.1 Å²	42.1	28%	0.279	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-54	151.8	163.8	-24	35.5	0	0	0	111.7
115	R	92.4	Very high	96.9	Very high	215 Å²	215	42.2 Å²	42.2	81%	0.811	23%	0.226	S	C	*	.	S	Bend	trans	-99.9	-9.5	-176.3	-67.2	-174.4	179.4	163.7	1.6	113.5	A258	R115-A258 VanDerWaalsContact O-CB 3.31Å; R115-A258 WeakPolarHBondContact O-CB 2.97Å
116	D	95.9	Very high	97	Very high	77 Å²	77	44.2 Å²	44.2	41%	0.412	24%	0.239	S	C	.	.	S	Bend	trans	-86.7	152.7	170.3	69.7	96.8	0	0	0	110	E118 G119 A120	D116-E118 VanDerWaalsContact C-N 3.31Å; D116-E118 PolarHBondContact O-N 2.81Å; D116-E118 PolarHBondContact OD1-N 2.9Å; D116-G119 PolarHBondContact OD1-N 3.28Å; D116-A120 VanDerWaalsContact O-CB 3.31Å; D116-A120 WeakPolarHBondContact O-CB 3.4Å; D116-A120 PolarHBondContact O-N 2.88Å; D116-A120 VanDerWaalsContact O-N 3.13Å
117	P	95.3	Very high	97.2	Very high	27 Å²	27	44.5 Å²	44.5	18%	0.175	24%	0.241	C	C	.	.	H	α-helix	trans	-64.4	-32.6	-175	23.4	-33.3	0	0	0	113.7	E121 R267 R268	P117-E121 VanDerWaalsContact O-CB 3.32Å; P117-E121 WeakPolarHBondContact O-CB 3.22Å; P117-E121 PolarHBondContact O-N 2.88Å; P117-E121 VanDerWaalsContact O-N 3.13Å; P117-R267 HydrophobicContact CB-CB 4.1Å; P117-R267 HydrophobicContact CG-CB 4.37Å; P117-R268 HydrophobicContact CB-CG 4.43Å
118	E	97.5	Very high	97.3	Very high	118 Å²	118	43.9 Å²	43.9	55%	0.551	24%	0.238	S	C	*	.	H	α-helix	trans	-75.7	-48.9	-175.1	-67.9	-179.8	165.2	0	0	111.1	D116 A120 E121 D122 R268	D116-E118 VanDerWaalsContact C-N 3.31Å; D116-E118 PolarHBondContact O-N 2.81Å; D116-E118 PolarHBondContact OD1-N 2.9Å; E118-A120 VanDerWaalsContact C-N 3.33Å; E118-A120 PolarHBondContact O-N 3.34Å; E118-E121 PolarHBondContact O-N 2.81Å; E118-D122 WeakPolarHBondContact O-CB 3.42Å; E118-D122 PolarHBondContact O-N 3.16Å; E118-R268 IonicContact OE1-NE 2.65Å
119	G	98.1	Very high	97.3	Very high	19 Å²	19	44.1 Å²	44.1	20%	0.196	24%	0.239	C	C	.	.	H	α-helix	trans	-63.5	-38.3	175.7	0	0	0	0	0	112.4	D116 D122 E123	D116-G119 PolarHBondContact OD1-N 3.28Å; G119-D122 PolarHBondContact O-N 3.34Å; G119-E123 WeakPolarHBondContact O-CB 3.47Å; G119-E123 PolarHBondContact O-N 3.14Å
120	A	97.9	Very high	97.3	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.1	-44.9	175.8	0	0	0	0	0	111.9	D116 E118 F124 A255 A258 M259	D116-A120 VanDerWaalsContact O-CB 3.31Å; D116-A120 WeakPolarHBondContact O-CB 3.4Å; D116-A120 PolarHBondContact O-N 2.88Å; D116-A120 VanDerWaalsContact O-N 3.13Å; E118-A120 VanDerWaalsContact C-N 3.33Å; E118-A120 PolarHBondContact O-N 3.34Å; A120-F124 WeakPolarHBondContact O-CD2 3.45Å; A120-F124 PolarHBondContact O-N 2.77Å; A120-A255 HydrophobicContact CB-CB 4.25Å; A120-A258 HydrophobicContact CB-CB 3.98Å; A120-M259 HydrophobicContact CB-CG 3.96Å
121	E	98.4	Very high	97.4	Very high	12 Å²	12	42.1 Å²	42.1	6%	0.056	23%	0.23	C	C	.	.	H	α-helix	trans	-64.8	-44.6	176.3	-175.7	-178.4	143.5	0	0	111.6	P117 E118 E123 F124 V125 F150 S154 M259 R268 R273	P117-E121 VanDerWaalsContact O-CB 3.32Å; P117-E121 WeakPolarHBondContact O-CB 3.22Å; P117-E121 PolarHBondContact O-N 2.88Å; P117-E121 VanDerWaalsContact O-N 3.13Å; E118-E121 PolarHBondContact O-N 2.81Å; E121-E123 PolarHBondContact O-N 3.02Å; E121-F124 PolarHBondContact O-N 2.72Å; E121-V125 WeakPolarHBondContact O-CG2 3.04Å; E121-V125 PolarHBondContact O-N 3.11Å; E121-F150 HydrophobicContact CG-CE1 3.95Å; E121-S154 VanDerWaalsContact CD-OG 3.24Å; E121-S154 VanDerWaalsContact OE1-CB 3.29Å; E121-S154 WeakPolarHBondContact OE1-CB 3.35Å; E121-S154 PolarHBondContact OE1-OG 3.1Å; E121-M259 HydrophobicContact CB-CG 4.47Å; E121-M259 HydrophobicContact CB-SD 3.86Å; E121-M259 HydrophobicContact CG-SD 4.43Å; E121-R268 IonicContact OE1-NH1 3.59Å; E121-R268 PolarHBondContact OE1-NH1 2.58Å; E121-R268 VanDerWaalsContact OE1-NH1 3.14Å; E121-R268 IonicContact OE2-CZ 3.7Å; E121-R268 IonicContact OE2-NH1 3.74Å; E121-R268 PolarHBondContact OE2-NH1 3.19Å; E121-R273 IonicContact OE1-CZ 2.74Å; E121-R273 IonicContact OE1-NH1 2.82Å; E121-R273 PolarHBondContact OE1-NH1 3.39Å; E121-R273 IonicContact OE1-NH2 3.51Å; E121-R273 PolarHBondContact OE1-NH2 3.14Å; E121-R273 IonicContact OE2-CZ 3.65Å; E121-R273 IonicContact OE2-NH1 2.77Å; E121-R273 PolarHBondContact OE2-NH1 3.05Å; E121-R273 IonicContact OE2-NH2 3.38Å; E121-R273 PolarHBondContact OE2-NH2 3.47Å
122	D	98.4	Very high	97.5	Very high	75 Å²	75	41.2 Å²	41.2	40%	0.401	22%	0.222	S	C	.	.	H	α-helix	trans	-65.7	-38.5	-178.7	-167.7	69.4	0	0	0	112.3	E118 G119 F124 V125 T126 K158	E118-D122 WeakPolarHBondContact O-CB 3.42Å; E118-D122 PolarHBondContact O-N 3.16Å; G119-D122 PolarHBondContact O-N 3.34Å; D122-F124 VanDerWaalsContact C-N 3.34Å; D122-F124 PolarHBondContact O-N 3.12Å; D122-V125 PolarHBondContact O-N 3.15Å; D122-T126 WeakPolarHBondContact O-CB 3.31Å; D122-T126 PolarHBondContact O-N 2.84Å; D122-T126 PolarHBondContact O-OG1 2.84Å; D122-T126 PolarHBondContact OD2-OG1 2.92Å; D122-K158 IonicContact OD1-NZ 3.58Å; D122-K158 PolarHBondContact OD1-NZ 2.82Å; D122-K158 IonicContact OD2-NZ 2.69Å
123	E	98.4	Very high	97.7	Very high	54 Å²	54	41.6 Å²	41.6	25%	0.252	21%	0.207	S	C	.	.	H	α-helix	trans	-61.7	-42.7	175.8	-174.8	66	-161.4	0	0	111.2	L103 F113 G119 E121 S127	L103-E123 HydrophobicContact CD2-CG 4.16Å; F113-E123 HydrophobicContact CD1-CB 3.77Å; F113-E123 HydrophobicContact CD1-CG 3.66Å; F113-E123 HydrophobicContact CE1-CB 3.8Å; F113-E123 HydrophobicContact CE1-CG 3.53Å; F113-E123 HydrophobicContact CG-CG 4.47Å; F113-E123 HydrophobicContact CZ-CG 4.25Å; G119-E123 WeakPolarHBondContact O-CB 3.47Å; G119-E123 PolarHBondContact O-N 3.14Å; E121-E123 PolarHBondContact O-N 3.02Å; E123-S127 WeakPolarHBondContact O-CB 3.07Å; E123-S127 PolarHBondContact O-N 2.6Å; E123-S127 PolarHBondContact O-OG 2.91Å
124	F	98.6	Very high	97.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.3	-52.3	173.5	-80.5	-64.1	0	0	0	111.6	L102 L103 F105 F113 A120 E121 D122 T126 S127 I128 L151 A255 M259	L102-F124 HydrophobicContact CB-CE1 4.45Å; L102-F124 HydrophobicContact CD2-CD1 4.5Å; L103-F124 WeakPolarHBondContact O-CE1 3.21Å; F105-F124 HydrophobicContact CD2-CE1 4.25Å; F105-F124 AromaticContact CE2-CE1 3.9Å; F105-F124 HydrophobicContact CE2-CE1 3.9Å; F105-F124 AromaticContact CE2-CZ 3.8Å; F105-F124 HydrophobicContact CE2-CZ 3.8Å; F113-F124 HydrophobicContact CD1-CE2 4.36Å; F113-F124 AromaticContact CE1-CD1 3.96Å; F113-F124 HydrophobicContact CE1-CD1 3.96Å; F113-F124 AromaticContact CE1-CD2 3.92Å; F113-F124 HydrophobicContact CE1-CD2 3.92Å; F113-F124 AromaticContact CE1-CE1 3.91Å; F113-F124 HydrophobicContact CE1-CE1 3.91Å; F113-F124 AromaticContact CE1-CE2 3.86Å; F113-F124 HydrophobicContact CE1-CE2 3.86Å; F113-F124 AromaticContact CE1-CG 3.95Å; F113-F124 HydrophobicContact CE1-CG 3.95Å; F113-F124 AromaticContact CE1-CZ 3.84Å; F113-F124 HydrophobicContact CE1-CZ 3.84Å; F113-F124 HydrophobicContact CZ-CD1 4.02Å; F113-F124 AromaticContact CZ-CE1 3.71Å; F113-F124 HydrophobicContact CZ-CE1 3.71Å; F113-F124 HydrophobicContact CZ-CE2 4.37Å; F113-F124 HydrophobicContact CZ-CG 4.48Å; F113-F124 AromaticContact CZ-CZ 3.87Å; F113-F124 HydrophobicContact CZ-CZ 3.87Å; A120-F124 WeakPolarHBondContact O-CD2 3.45Å; A120-F124 PolarHBondContact O-N 2.77Å; E121-F124 PolarHBondContact O-N 2.72Å; D122-F124 VanDerWaalsContact C-N 3.34Å; D122-F124 PolarHBondContact O-N 3.12Å; F124-T126 VanDerWaalsContact C-N 3.35Å; F124-T126 PolarHBondContact O-N 3.17Å; F124-S127 PolarHBondContact O-N 3.37Å; F124-S127 PolarHBondContact O-OG 3.31Å; F124-I128 WeakPolarHBondContact O-CG1 3.32Å; F124-I128 PolarHBondContact O-N 3.18Å; F124-L151 HydrophobicContact CB-CD1 3.93Å; F124-L151 HydrophobicContact CB-CD2 3.55Å; F124-L151 HydrophobicContact CB-CG 4.36Å; F124-L151 HydrophobicContact CD1-CD1 4.01Å; F124-L151 HydrophobicContact CD2-CD1 4.34Å; F124-L151 HydrophobicContact CD2-CD2 4.07Å; F124-L151 HydrophobicContact CG-CD1 3.87Å; F124-L151 HydrophobicContact CG-CD2 3.99Å; F124-A255 HydrophobicContact CD2-CB 4.39Å; F124-A255 HydrophobicContact CE2-CB 3.37Å; F124-A255 HydrophobicContact CZ-CB 3.69Å; F124-M259 HydrophobicContact CD2-CE 3.86Å; F124-M259 HydrophobicContact CD2-SD 4.26Å; F124-M259 HydrophobicContact CE2-CE 3.59Å; F124-M259 HydrophobicContact CE2-SD 4.48Å
125	V	98.8	Very high	97.9	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.018	22%	0.216	C	C	.	.	H	α-helix	trans	-62.3	-42.6	-176.7	170.2	0	0	0	0	111.5	E121 D122 S127 I128 E129 Y155 K158 Y159	E121-V125 WeakPolarHBondContact O-CG2 3.04Å; E121-V125 PolarHBondContact O-N 3.11Å; D122-V125 PolarHBondContact O-N 3.15Å; V125-S127 VanDerWaalsContact C-N 3.33Å; V125-S127 PolarHBondContact O-N 2.89Å; V125-I128 PolarHBondContact O-N 2.85Å; V125-E129 PolarHBondContact O-N 2.91Å; V125-Y155 HydrophobicContact CG1-CD2 4.21Å; V125-K158 HydrophobicContact CG1-CB 4.43Å; V125-K158 HydrophobicContact CG1-CD 3.95Å; V125-Y159 HydrophobicContact CG1-CD2 4.37Å; V125-Y159 HydrophobicContact CG1-CE2 3.9Å
126	T	98.6	Very high	98.1	Very high	44 Å²	44	35.7 Å²	35.7	27%	0.27	20%	0.204	S	C	.	.	H	α-helix	trans	-66	-36.3	177.3	-63.2	0	0	0	0	111.3	D122 F124 I128 E129 T130 K158	D122-T126 WeakPolarHBondContact O-CB 3.31Å; D122-T126 PolarHBondContact O-N 2.84Å; D122-T126 PolarHBondContact O-OG1 2.84Å; D122-T126 PolarHBondContact OD2-OG1 2.92Å; F124-T126 VanDerWaalsContact C-N 3.35Å; F124-T126 PolarHBondContact O-N 3.17Å; T126-I128 VanDerWaalsContact C-N 3.34Å; T126-I128 PolarHBondContact O-N 2.94Å; T126-E129 PolarHBondContact O-N 3.47Å; T126-T130 WeakPolarHBondContact O-CB 3.45Å; T126-T130 PolarHBondContact O-N 3.18Å; T126-T130 PolarHBondContact O-OG1 3.07Å; T126-K158 PolarHBondContact OG1-NZ 2.75Å
127	S	98.6	Very high	98.2	Very high	6 Å²	6	32.3 Å²	32.3	4%	0.042	19%	0.187	C	C	.	.	H	α-helix	trans	-64.1	-38.7	173.6	79.1	0	0	0	0	112.3	E123 F124 V125 W131	E123-S127 WeakPolarHBondContact O-CB 3.07Å; E123-S127 PolarHBondContact O-N 2.6Å; E123-S127 PolarHBondContact O-OG 2.91Å; F124-S127 PolarHBondContact O-N 3.37Å; F124-S127 PolarHBondContact O-OG 3.31Å; V125-S127 VanDerWaalsContact C-N 3.33Å; V125-S127 PolarHBondContact O-N 2.89Å; S127-W131 WeakPolarHBondContact O-CB 3.5Å; S127-W131 PolarHBondContact O-N 3.38Å
128	I	98.8	Very high	98.3	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-66.2	-44.5	176.3	-63.5	167.9	0	0	0	110.3	F100 L102 F124 V125 T126 W131 R132 L151 Y155	F100-I128 HydrophobicContact CE2-CG1 4.06Å; F100-I128 HydrophobicContact CZ-CG1 3.94Å; F100-I128 HydrophobicContact CZ-CG2 4.18Å; L102-I128 HydrophobicContact CD2-CD1 4.11Å; L102-I128 HydrophobicContact CD2-CG1 4.34Å; F124-I128 WeakPolarHBondContact O-CG1 3.32Å; F124-I128 PolarHBondContact O-N 3.18Å; V125-I128 PolarHBondContact O-N 2.85Å; T126-I128 VanDerWaalsContact C-N 3.34Å; T126-I128 PolarHBondContact O-N 2.94Å; I128-W131 PolarHBondContact O-N 2.84Å; I128-R132 WeakPolarHBondContact O-CB 3.47Å; I128-R132 PolarHBondContact O-N 2.86Å; I128-L151 HydrophobicContact CD1-CB 4.22Å; I128-Y155 HydrophobicContact CB-CD2 4.14Å; I128-Y155 HydrophobicContact CB-CE2 4.47Å; I128-Y155 HydrophobicContact CG2-CD2 3.75Å; I128-Y155 HydrophobicContact CG2-CE2 3.91Å; I128-Y155 HydrophobicContact CG2-CG 4.42Å
129	E	98.8	Very high	98.3	Very high	11 Å²	11	31 Å²	31	5%	0.051	19%	0.189	C	C	.	.	H	α-helix	trans	-64.4	-48.6	178.7	178.3	61.8	174.1	0	0	112.1	V125 T126 W131 R132 E133 Y155 Y159	V125-E129 PolarHBondContact O-N 2.91Å; T126-E129 PolarHBondContact O-N 3.47Å; E129-W131 PolarHBondContact O-N 3.24Å; E129-R132 WeakPolarHBondContact O-CB 3.17Å; E129-R132 PolarHBondContact O-N 3.17Å; E129-R132 VanDerWaalsContact O-N 3.08Å; E129-R132 IonicContact OE1-CZ 2.8Å; E129-R132 IonicContact OE1-NE 3.9Å; E129-R132 IonicContact OE1-NH2 2.72Å; E129-R132 PolarHBondContact OE1-NH2 3.36Å; E129-R132 IonicContact OE2-CZ 3.99Å; E129-R132 IonicContact OE2-NE 2.55Å; E129-R132 PolarHBondContact OE2-NE 3.1Å; E129-R132 IonicContact OE2-NH2 2.77Å; E129-E133 WeakPolarHBondContact O-CG 3.37Å; E129-E133 PolarHBondContact O-N 3.43Å; E129-Y155 HydrophobicContact CB-CE2 3.9Å; E129-Y155 WeakPolarHBondContact OE2-CE2 3.37Å; E129-Y155 PolarHBondContact OE2-OH 3.43Å; E129-Y159 HydrophobicContact CB-CD2 4.19Å; E129-Y159 HydrophobicContact CB-CE2 3.63Å; E129-Y159 HydrophobicContact CG-CD1 4.29Å; E129-Y159 HydrophobicContact CG-CD2 4.32Å; E129-Y159 HydrophobicContact CG-CE1 3.83Å; E129-Y159 HydrophobicContact CG-CE2 3.86Å
130	T	98.6	Very high	98.3	Very high	30 Å²	30	30.1 Å²	30.1	18%	0.184	18%	0.18	C	C	.	.	H	α-helix	trans	-59.9	-39.6	178.3	-53.1	0	0	0	0	111.2	L50 P51 T126 T134	L50-T130 HydrophobicContact CB-CG2 4.13Å; L50-T130 HydrophobicContact CD2-CG2 3.89Å; L50-T130 HydrophobicContact CG-CG2 4.41Å; P51-T130 HydrophobicContact CG-CG2 4.07Å; T126-T130 WeakPolarHBondContact O-CB 3.45Å; T126-T130 PolarHBondContact O-N 3.18Å; T126-T130 PolarHBondContact O-OG1 3.07Å; T130-T134 WeakPolarHBondContact O-CB 3.48Å; T130-T134 PolarHBondContact O-N 2.84Å; T130-T134 PolarHBondContact O-OG1 3.43Å
131	W	98.8	Very high	98.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.5	-47.5	173.2	168.2	84.8	0	0	0	111.9	L50 I56 T58 V72 H98 F100 S127 I128 E129 E133 T134 M135 I137	L50-W131 HydrophobicContact CD2-CB 4.18Å; I56-W131 HydrophobicContact CG1-CB 4.48Å; I56-W131 HydrophobicContact CG2-CG 4.15Å; T58-W131 HydrophobicContact CG2-CZ2 3.83Å; T58-W131 PolarHBondContact OG1-NE1 2.87Å; V72-W131 HydrophobicContact CG1-CH2 3.79Å; V72-W131 HydrophobicContact CG1-CZ3 3.79Å; V72-W131 HydrophobicContact CG2-CH2 4.12Å; V72-W131 HydrophobicContact CG2-CZ3 4.33Å; H98-W131 HydrophobicContact CB-CH2 3.85Å; H98-W131 HydrophobicContact CB-CZ2 4.04Å; F100-W131 HydrophobicContact CB-CZ2 4.3Å; F100-W131 HydrophobicContact CD1-CD2 4.08Å; F100-W131 AromaticContact CD1-CE2 3.79Å; F100-W131 HydrophobicContact CD1-CE3 4.07Å; F100-W131 AromaticContact CD1-CH2 3.58Å; F100-W131 HydrophobicContact CD1-CH2 3.58Å; F100-W131 AromaticContact CD1-CZ2 3.54Å; F100-W131 HydrophobicContact CD1-CZ2 3.54Å; F100-W131 AromaticContact CD1-CZ3 3.85Å; F100-W131 HydrophobicContact CD1-CZ3 3.85Å; F100-W131 HydrophobicContact CE1-CD2 4.3Å; F100-W131 AromaticContact CE1-CE3 3.88Å; F100-W131 HydrophobicContact CE1-CE3 3.88Å; F100-W131 AromaticContact CE1-CH2 3.82Å; F100-W131 HydrophobicContact CE1-CH2 3.82Å; F100-W131 HydrophobicContact CE1-CZ2 4.22Å; F100-W131 AromaticContact CE1-CZ3 3.64Å; F100-W131 HydrophobicContact CE1-CZ3 3.64Å; F100-W131 HydrophobicContact CG-CD2 4.34Å; F100-W131 HydrophobicContact CG-CZ2 4.16Å; F100-W131 HydrophobicContact CZ-CE3 4.34Å; F100-W131 HydrophobicContact CZ-CZ3 4.47Å; S127-W131 WeakPolarHBondContact O-CB 3.5Å; S127-W131 PolarHBondContact O-N 3.38Å; I128-W131 PolarHBondContact O-N 2.84Å; E129-W131 PolarHBondContact O-N 3.24Å; W131-E133 VanDerWaalsContact C-N 3.34Å; W131-E133 PolarHBondContact O-N 3.41Å; W131-T134 PolarHBondContact O-N 2.88Å; W131-M135 HydrophobicContact CD2-CG 4.27Å; W131-M135 HydrophobicContact CG-CG 4.49Å; W131-M135 HydrophobicContact CZ2-CG 4.08Å; W131-M135 WeakPolarHBondContact O-CB 3.35Å; W131-M135 WeakPolarHBondContact O-CG 3.48Å; W131-M135 PolarHBondContact O-N 3.28Å; W131-I137 HydrophobicContact CH2-CD1 3.86Å; W131-I137 HydrophobicContact CZ2-CD1 4.46Å; W131-I137 HydrophobicContact CZ3-CD1 4.15Å
132	R	98.8	Very high	98.4	Very high	10 Å²	10	29.6 Å²	29.6	4%	0.038	18%	0.177	C	C	.	.	H	α-helix	trans	-57.4	-47.5	178.1	-178.3	-154.6	59.6	75.3	-2.5	110.9	I128 E129 M135 G136 I137 M140 Y155	I128-R132 WeakPolarHBondContact O-CB 3.47Å; I128-R132 PolarHBondContact O-N 2.86Å; E129-R132 WeakPolarHBondContact O-CB 3.17Å; E129-R132 PolarHBondContact O-N 3.17Å; E129-R132 VanDerWaalsContact O-N 3.08Å; E129-R132 IonicContact OE1-CZ 2.8Å; E129-R132 IonicContact OE1-NE 3.9Å; E129-R132 IonicContact OE1-NH2 2.72Å; E129-R132 PolarHBondContact OE1-NH2 3.36Å; E129-R132 IonicContact OE2-CZ 3.99Å; E129-R132 IonicContact OE2-NE 2.55Å; E129-R132 PolarHBondContact OE2-NE 3.1Å; E129-R132 IonicContact OE2-NH2 2.77Å; R132-M135 PolarHBondContact O-N 3.13Å; R132-G136 PolarHBondContact O-N 3.15Å; R132-G136 VanDerWaalsContact O-N 3.11Å; R132-I137 WeakPolarHBondContact CD-O 3.48Å; R132-I137 HydrophobicContact CG-CB 3.8Å; R132-I137 HydrophobicContact CG-CG2 4.2Å; R132-I137 VanDerWaalsContact CG-O 3.29Å; R132-I137 WeakPolarHBondContact CG-O 3.43Å; R132-I137 PolarHBondContact NH1-O 3.42Å; R132-I137 PolarHBondContact O-N 3.45Å; R132-I137 VanDerWaalsContact O-N 3.12Å; R132-M140 HydrophobicContact CG-SD 4.5Å; R132-Y155 VanDerWaalsContact CD-OH 3.22Å; R132-Y155 WeakPolarHBondContact CD-OH 3.38Å; R132-Y155 PolarHBondContact NE-OH 2.89Å
133	E	98.5	Very high	98.4	Very high	111 Å²	111	26 Å²	26	52%	0.519	16%	0.158	S	C	.	.	H	α-helix	trans	-60.3	-47.3	177.7	-73.1	-173.1	149.6	0	0	111.7	E129 W131 M135 G136	E129-E133 WeakPolarHBondContact O-CG 3.37Å; E129-E133 PolarHBondContact O-N 3.43Å; W131-E133 VanDerWaalsContact C-N 3.34Å; W131-E133 PolarHBondContact O-N 3.41Å; E133-M135 VanDerWaalsContact C-N 3.26Å; E133-M135 PolarHBondContact O-N 3.06Å; E133-G136 WeakPolarHBondContact O-CA 3.14Å; E133-G136 PolarHBondContact O-N 3.49Å
134	T	98.2	Very high	98.5	Very high	69 Å²	69	23.5 Å²	23.5	42%	0.423	15%	0.146	S	C	.	.	H	α-helix	trans	-64.4	-33.4	179.1	-53.4	0	0	0	0	112	V48 T130 W131 G136	V48-T134 HydrophobicContact CG1-CG2 3.47Å; V48-T134 VanDerWaalsContact CG1-CG2 3.47Å; T130-T134 WeakPolarHBondContact O-CB 3.48Å; T130-T134 PolarHBondContact O-N 2.84Å; T130-T134 PolarHBondContact O-OG1 3.43Å; W131-T134 PolarHBondContact O-N 2.88Å; T134-G136 PolarHBondContact O-N 3.03Å
135	M	97.8	Very high	98.4	Very high	26 Å²	26	23.7 Å²	23.7	13%	0.128	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-10.1	173.7	-74	-69.3	-71.6	0	0	113.2	R46 V48 T58 H98 W131 R132 E133 I137	R46-M135 PolarHBondContact NH2-SD 3.39Å; R46-M135 VanDerWaalsContact NH2-SD 3.41Å; V48-M135 HydrophobicContact CG1-CG 4.39Å; V48-M135 HydrophobicContact CG2-CG 4.12Å; V48-M135 HydrophobicContact CG2-SD 3.5Å; V48-M135 WeakPolarHBondContact CG2-SD 3.21Å; T58-M135 HydrophobicContact CG2-CE 4.03Å; T58-M135 HydrophobicContact CG2-SD 4.43Å; H98-M135 WeakPolarHBondContact ND1-CE 3.44Å; W131-M135 HydrophobicContact CD2-CG 4.27Å; W131-M135 HydrophobicContact CG-CG 4.49Å; W131-M135 HydrophobicContact CZ2-CG 4.08Å; W131-M135 WeakPolarHBondContact O-CB 3.35Å; W131-M135 WeakPolarHBondContact O-CG 3.48Å; W131-M135 PolarHBondContact O-N 3.28Å; R132-M135 PolarHBondContact O-N 3.13Å; E133-M135 VanDerWaalsContact C-N 3.26Å; E133-M135 PolarHBondContact O-N 3.06Å; M135-I137 VanDerWaalsContact C-N 3.32Å; M135-I137 HydrophobicContact CB-CD1 3.66Å; M135-I137 HydrophobicContact CB-CG1 3.84Å; M135-I137 HydrophobicContact CG-CD1 4.44Å
136	G	97.4	Very high	98.3	Very high	55 Å²	55	24 Å²	24	57%	0.567	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.9	27.6	-179.5	0	0	0	0	0	113.6	R132 E133 T134 P138	R132-G136 PolarHBondContact O-N 3.15Å; R132-G136 VanDerWaalsContact O-N 3.11Å; E133-G136 WeakPolarHBondContact O-CA 3.14Å; E133-G136 PolarHBondContact O-N 3.49Å; T134-G136 PolarHBondContact O-N 3.03Å; G136-P138 WeakPolarHBondContact O-CD 3.41Å
137	I	97.9	Very high	98.3	Very high	7 Å²	7	22 Å²	22	4%	0.036	14%	0.137	C	C	.	.			trans	-87.8	105.2	-176.6	-61.7	165	0	0	0	109.1	P70 V72 W131 R132 M135 S139 M140	P70-I137 HydrophobicContact CG-CG2 3.9Å; V72-I137 HydrophobicContact CG2-CD1 4.43Å; W131-I137 HydrophobicContact CH2-CD1 3.86Å; W131-I137 HydrophobicContact CZ2-CD1 4.46Å; W131-I137 HydrophobicContact CZ3-CD1 4.15Å; R132-I137 WeakPolarHBondContact CD-O 3.48Å; R132-I137 HydrophobicContact CG-CB 3.8Å; R132-I137 HydrophobicContact CG-CG2 4.2Å; R132-I137 VanDerWaalsContact CG-O 3.29Å; R132-I137 WeakPolarHBondContact CG-O 3.43Å; R132-I137 PolarHBondContact NH1-O 3.42Å; R132-I137 PolarHBondContact O-N 3.45Å; R132-I137 VanDerWaalsContact O-N 3.12Å; M135-I137 VanDerWaalsContact C-N 3.32Å; M135-I137 HydrophobicContact CB-CD1 3.66Å; M135-I137 HydrophobicContact CB-CG1 3.84Å; M135-I137 HydrophobicContact CG-CD1 4.44Å; I137-S139 PolarHBondContact O-N 3.17Å; I137-M140 HydrophobicContact CG2-CB 4.1Å
138	P	97.4	Very high	98.3	Very high	92 Å²	92	21.7 Å²	21.7	60%	0.597	14%	0.135	S	C	*	.			trans	-69.9	-37.5	-171.2	-20.1	34.9	0	0	0	113.5	G136 R162	G136-P138 WeakPolarHBondContact O-CD 3.41Å; P138-R162 VanDerWaalsContact O-CD 3.22Å; P138-R162 WeakPolarHBondContact O-CD 3.44Å; P138-R162 PolarHBondContact O-NH1 3.4Å
139	S	97.8	Very high	98.2	Very high	26 Å²	26	21.6 Å²	21.6	18%	0.182	14%	0.135	C	C	.	.	S	Bend	trans	-156.3	159.4	173.9	61.1	0	0	0	0	110	P70 I137 R162 K164	P70-S139 WeakPolarHBondContact CG-O 3.43Å; I137-S139 PolarHBondContact O-N 3.17Å; S139-R162 CarbonylContact C-O 3.56Å; S139-R162 VanDerWaalsContact CA-O 3.24Å; S139-R162 WeakPolarHBondContact CA-O 3.48Å; S139-K164 WeakPolarHBondContact OG-CE 3.2Å
140	M	98.7	Very high	98.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	158.8	-173.8	59.2	-166.2	171.8	0	0	112.5	P70 V72 R132 I137 L142 Y155 R162 V163 K164	P70-M140 HydrophobicContact CG-CB 4.44Å; P70-M140 WeakPolarHBondContact O-CA 3.33Å; V72-M140 HydrophobicContact CB-CB 4.43Å; V72-M140 HydrophobicContact CB-CG 4.41Å; V72-M140 HydrophobicContact CB-SD 3.65Å; V72-M140 HydrophobicContact CG1-SD 4.06Å; V72-M140 HydrophobicContact CG2-CB 3.82Å; V72-M140 HydrophobicContact CG2-CG 4.13Å; V72-M140 HydrophobicContact CG2-SD 3.37Å; V72-M140 WeakPolarHBondContact CG2-SD 3.43Å; R132-M140 HydrophobicContact CG-SD 4.5Å; I137-M140 HydrophobicContact CG2-CB 4.1Å; M140-L142 HydrophobicContact CE-CB 4.47Å; M140-L142 HydrophobicContact CE-CD1 3.88Å; M140-L142 HydrophobicContact CE-CD2 4.12Å; M140-L142 HydrophobicContact CE-CG 4.38Å; M140-L142 HydrophobicContact CG-CB 4.4Å; M140-L142 HydrophobicContact SD-CD1 4.19Å; M140-Y155 HydrophobicContact CE-CD1 4.12Å; M140-Y155 HydrophobicContact CE-CE1 3.37Å; M140-R162 PolarHBondContact N-O 3.38Å; M140-V163 WeakPolarHBondContact O-CA 3.31Å; M140-K164 PolarHBondContact O-N 2.72Å
141	I	98.9	Very high	98.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	122.1	155	-60.6	174.7	0	0	0	106.3	T69 P70 L71 V72 H165 I167 C338 V341	T69-I141 HydrophobicContact CG2-CG1 3.93Å; P70-I141 PolarHBondContact O-N 3.38Å; L71-I141 HydrophobicContact CD1-CB 4.1Å; L71-I141 HydrophobicContact CD1-CG2 3.73Å; V72-I141 PolarHBondContact N-O 3.02Å; I141-H165 HydrophobicContact CG1-CB 4.43Å; I141-H165 HydrophobicContact CG2-CB 4.23Å; I141-I167 HydrophobicContact CG2-CD1 3.72Å; I141-I167 HydrophobicContact CG2-CG1 4.19Å; I141-C338 HydrophobicContact CD1-CB 4.01Å; I141-V341 HydrophobicContact CD1-CB 3.88Å; I141-V341 HydrophobicContact CD1-CG1 4.05Å; I141-V341 HydrophobicContact CD1-CG2 3.77Å; I141-V341 HydrophobicContact CG1-CB 4.34Å; I141-V341 HydrophobicContact CG1-CG1 4.04Å; I141-V341 HydrophobicContact CG1-CG2 4.07Å
142	L	98.9	Very high	98.2	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	112.8	-175.4	-174.5	60.9	0	0	0	109.9	V72 V74 M140 A152 Y155 V163 H165 L166 I167	V72-L142 HydrophobicContact CB-CD1 4.08Å; V72-L142 HydrophobicContact CG1-CD1 3.91Å; V74-L142 HydrophobicContact CG2-CD1 3.8Å; M140-L142 HydrophobicContact CE-CB 4.47Å; M140-L142 HydrophobicContact CE-CD1 3.88Å; M140-L142 HydrophobicContact CE-CD2 4.12Å; M140-L142 HydrophobicContact CE-CG 4.38Å; M140-L142 HydrophobicContact CG-CB 4.4Å; M140-L142 HydrophobicContact SD-CD1 4.19Å; L142-A152 HydrophobicContact CD2-CB 3.66Å; L142-A152 HydrophobicContact CG-CB 3.81Å; L142-Y155 HydrophobicContact CD2-CD1 3.54Å; L142-Y155 HydrophobicContact CD2-CE1 4.24Å; L142-Y155 HydrophobicContact CD2-CG 4.18Å; L142-V163 HydrophobicContact CB-CG1 4.13Å; L142-V163 HydrophobicContact CB-CG2 4.42Å; L142-V163 HydrophobicContact CD2-CG2 4.19Å; L142-H165 PolarHBondContact N-O 2.65Å; L142-L166 HydrophobicContact CB-CD1 4.46Å; L142-L166 HydrophobicContact CD2-CD1 4.46Å; L142-L166 HydrophobicContact CG-CD1 4.48Å; L142-L166 WeakPolarHBondContact O-CA 3.41Å; L142-I167 PolarHBondContact O-N 2.63Å
143	L	98.9	Very high	98.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	125.1	176.8	-174.3	155.8	0	0	0	109.8	L71 V72 M73 V74 W84 I167 V169 F330 V334	L71-L143 HydrophobicContact CD1-CB 3.95Å; V72-L143 PolarHBondContact O-N 3.37Å; M73-L143 CarbonylContact C-O 3.58Å; M73-L143 WeakPolarHBondContact CA-O 3.43Å; M73-L143 HydrophobicContact CE-CD1 4.46Å; M73-L143 HydrophobicContact CE-CD2 4.16Å; M73-L143 HydrophobicContact CG-CB 4.42Å; M73-L143 HydrophobicContact CG-CD2 4.43Å; V74-L143 PolarHBondContact N-O 2.91Å; W84-L143 HydrophobicContact CH2-CD2 3.63Å; W84-L143 HydrophobicContact CZ2-CD2 4.17Å; W84-L143 HydrophobicContact CZ3-CD2 4.31Å; L143-I167 CarbonylContact C-O 3.56Å; L143-I167 VanDerWaalsContact CA-O 3.3Å; L143-I167 WeakPolarHBondContact CA-O 3.32Å; L143-I167 HydrophobicContact CB-CB 4.05Å; L143-I167 HydrophobicContact CD1-CB 4.19Å; L143-I167 HydrophobicContact CD1-CD1 4.29Å; L143-I167 HydrophobicContact CD1-CG2 3.88Å; L143-I167 HydrophobicContact CG-CB 3.96Å; L143-I167 HydrophobicContact CG-CG2 3.95Å; L143-V169 HydrophobicContact CD1-CG2 4.28Å; L143-V169 HydrophobicContact CD2-CG2 3.87Å; L143-V169 HydrophobicContact CG-CG2 3.99Å; L143-F330 HydrophobicContact CD1-CZ 4.02Å; L143-V334 HydrophobicContact CD1-CG1 3.94Å; L143-V334 HydrophobicContact CD1-CG2 3.77Å
144	G	98.8	Very high	98.2	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	128.7	177.7	0	0	0	0	0	112.5	G148 G149 I167 V169	G144-G148 VanDerWaalsContact CA-C 3.46Å; G144-G149 VanDerWaalsContact C-N 3.29Å; G144-G149 WeakPolarHBondContact O-CA 3.35Å; G144-I167 PolarHBondContact N-O 2.82Å; G144-V169 PolarHBondContact O-N 3.41Å
145	H	98.5	Very high	98.3	Very high	4 Å²	4	10.9 Å²	10.9	2%	0.019	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	130	172.5	170.5	-113	0	0	0	111.9	V74 G76 W84 L147 G148 G149 V169 H320 H321 Y323	V74-H145 PolarHBondContact O-N 2.92Å; G76-H145 WeakPolarHBondContact CA-O 3.48Å; G76-H145 PolarHBondContact N-O 3.31Å; W84-H145 HydrophobicContact CH2-CB 3.72Å; W84-H145 HydrophobicContact CZ2-CB 3.97Å; H145-L147 PolarHBondContact O-N 2.85Å; H145-L147 VanDerWaalsContact O-N 3.09Å; H145-G148 VanDerWaalsContact O-CA 3.32Å; H145-G148 WeakPolarHBondContact O-CA 3.38Å; H145-G148 PolarHBondContact O-N 3.45Å; H145-G149 PolarHBondContact O-N 3.07Å; H145-V169 VanDerWaalsContact CA-O 3.3Å; H145-V169 WeakPolarHBondContact CA-O 3.48Å; H145-V169 HydrophobicContact CB-CB 4.46Å; H145-V169 PolarHBondContact CD2-O 2.92Å; H145-H320 AromaticContact CE1-CD2 3.99Å; H145-H320 AromaticContact CE1-NE2 3.94Å; H145-H320 AromaticContact NE2-CD2 3.78Å; H145-H320 AromaticContact NE2-NE2 3.75Å; H145-H320 PolarHBondContact NE2-O 3.07Å; H145-H321 AromaticContact CE1-CD2 3.84Å; H145-Y323 HydrophobicContact CB-CE1 4.29Å; H145-Y323 AromaticContact CD2-CE1 3.79Å; H145-Y323 AromaticContact CE1-CE1 3.76Å; H145-Y323 AromaticContact CG-CE1 3.64Å; H145-Y323 AromaticContact ND1-CE1 3.65Å; H145-Y323 AromaticContact NE2-CE1 3.86Å
146	S	96.2	Very high	98.3	Very high	11 Å²	11	9.7 Å²	9.7	8%	0.077	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	-114.1	172.5	-169.3	0	0	0	0	113	G148 G149 F150 V169 D170 W172 H320	S146-G148 VanDerWaalsContact C-N 3.28Å; S146-G148 PolarHBondContact O-N 3.01Å; S146-G149 WeakPolarHBondContact O-CA 3.43Å; S146-G149 PolarHBondContact O-N 3.31Å; S146-F150 PolarHBondContact O-N 3.39Å; S146-F150 VanDerWaalsContact O-N 3.13Å; S146-V169 PolarHBondContact N-O 3.49Å; S146-D170 VanDerWaalsContact CA-O 3.25Å; S146-D170 WeakPolarHBondContact CA-O 3.46Å; S146-D170 PolarHBondContact N-O 2.99Å; S146-W172 PolarHBondContact O-N 3.37Å; S146-H320 VanDerWaalsContact CB-NE2 3.31Å; S146-H320 WeakPolarHBondContact CB-NE2 3.47Å; S146-H320 PolarHBondContact OG-CE1 2.77Å; S146-H320 PolarHBondContact OG-NE2 2.71Å
147	L	97.2	Very high	98.4	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-57.3	-40.5	171.4	174.9	58.7	0	0	0	112	F77 F105 H145 G149 F150 L151 W172 F256 M259	F77-L147 HydrophobicContact CB-CB 4.16Å; F77-L147 HydrophobicContact CB-CD2 4.12Å; F77-L147 HydrophobicContact CD2-CD2 4.35Å; F105-L147 HydrophobicContact CE2-CD2 4.26Å; F105-L147 HydrophobicContact CZ-CD2 4.25Å; H145-L147 PolarHBondContact O-N 2.85Å; H145-L147 VanDerWaalsContact O-N 3.09Å; L147-G149 PolarHBondContact O-N 3.21Å; L147-F150 WeakPolarHBondContact O-CB 3.36Å; L147-F150 PolarHBondContact O-N 3.27Å; L147-F150 VanDerWaalsContact O-N 3.15Å; L147-L151 HydrophobicContact CD1-CD1 4.23Å; L147-L151 HydrophobicContact CD1-CG 4.1Å; L147-L151 HydrophobicContact CG-CD1 4.07Å; L147-L151 HydrophobicContact CG-CG 4.38Å; L147-L151 WeakPolarHBondContact O-CG 3.29Å; L147-L151 PolarHBondContact O-N 3.49Å; L147-W172 HydrophobicContact CD1-CE3 4.29Å; L147-W172 HydrophobicContact CD1-CZ3 4.37Å; L147-F256 HydrophobicContact CB-CE2 4.41Å; L147-F256 HydrophobicContact CD1-CD2 3.7Å; L147-F256 HydrophobicContact CD1-CE2 3.9Å; L147-F256 HydrophobicContact CD2-CD2 3.72Å; L147-F256 HydrophobicContact CD2-CE2 4.3Å; L147-F256 HydrophobicContact CD2-CG 4.44Å; L147-F256 HydrophobicContact CG-CD2 4.21Å; L147-F256 HydrophobicContact CG-CE2 4.42Å; L147-M259 HydrophobicContact CD1-CE 3.89Å
148	G	98.5	Very high	98.4	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-59.6	-32.5	173.1	0	0	0	0	0	112.3	H75 G144 H145 S146 A152	H75-G148 WeakPolarHBondContact O-CA 3.1Å; H75-G148 PolarHBondContact O-N 3.03Å; G144-G148 VanDerWaalsContact CA-C 3.46Å; H145-G148 VanDerWaalsContact O-CA 3.32Å; H145-G148 WeakPolarHBondContact O-CA 3.38Å; H145-G148 PolarHBondContact O-N 3.45Å; S146-G148 VanDerWaalsContact C-N 3.28Å; S146-G148 PolarHBondContact O-N 3.01Å; G148-A152 WeakPolarHBondContact O-CB 3.35Å; G148-A152 PolarHBondContact O-N 3.13Å
149	G	98.4	Very high	98.5	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-67.4	-43.3	173.1	0	0	0	0	0	112.7	G144 H145 S146 L147 T153 L168	G144-G149 VanDerWaalsContact C-N 3.29Å; G144-G149 WeakPolarHBondContact O-CA 3.35Å; H145-G149 PolarHBondContact O-N 3.07Å; S146-G149 WeakPolarHBondContact O-CA 3.43Å; S146-G149 PolarHBondContact O-N 3.31Å; L147-G149 PolarHBondContact O-N 3.21Å; G149-T153 WeakPolarHBondContact O-CB 2.91Å; G149-T153 PolarHBondContact O-N 3.01Å; G149-T153 PolarHBondContact O-OG1 3.41Å; G149-L168 WeakPolarHBondContact O-CD2 3.29Å
150	F	98.4	Very high	98.5	Very high	1 Å²	1	11.3 Å²	11.3	0%	0.004	6%	0.055	C	C	.	.	H	α-helix	trans	-57.7	-51.7	172	-177.9	-86.6	0	0	0	111.1	E121 S146 L147 A152 T153 S154 W172 M259 A266 R268 M270 R273	E121-F150 HydrophobicContact CG-CE1 3.95Å; S146-F150 PolarHBondContact O-N 3.39Å; S146-F150 VanDerWaalsContact O-N 3.13Å; L147-F150 WeakPolarHBondContact O-CB 3.36Å; L147-F150 PolarHBondContact O-N 3.27Å; L147-F150 VanDerWaalsContact O-N 3.15Å; F150-A152 PolarHBondContact O-N 3.49Å; F150-T153 WeakPolarHBondContact O-CB 3.19Å; F150-T153 PolarHBondContact O-N 2.58Å; F150-S154 PolarHBondContact O-N 2.77Å; F150-S154 PolarHBondContact O-OG 3.4Å; F150-W172 HydrophobicContact CB-CE3 4.14Å; F150-W172 WeakPolarHBondContact CB-O 3.27Å; F150-W172 HydrophobicContact CD2-CE3 4.04Å; F150-W172 AromaticContact CD2-CZ3 3.99Å; F150-W172 HydrophobicContact CD2-CZ3 3.99Å; F150-W172 HydrophobicContact CE2-CZ3 4.2Å; F150-W172 HydrophobicContact CG-CE3 4.12Å; F150-W172 HydrophobicContact CG-CZ3 4.14Å; F150-M259 HydrophobicContact CE1-SD 4.14Å; F150-A266 HydrophobicContact CD2-CB 4.36Å; F150-A266 HydrophobicContact CE2-CB 3.59Å; F150-A266 HydrophobicContact CZ-CB 4.22Å; F150-R268 WeakPolarHBondContact CE2-O 3.28Å; F150-M270 HydrophobicContact CD1-CE 3.97Å; F150-M270 HydrophobicContact CD2-CE 3.67Å; F150-M270 HydrophobicContact CD2-CG 3.79Å; F150-M270 HydrophobicContact CE1-CE 3.79Å; F150-M270 HydrophobicContact CE2-CE 3.48Å; F150-M270 VanDerWaalsContact CE2-CE 3.48Å; F150-M270 HydrophobicContact CE2-CG 4.06Å; F150-M270 HydrophobicContact CG-CE 3.93Å; F150-M270 HydrophobicContact CZ-CE 3.55Å; F150-R273 VanDerWaalsContact CZ-NH2 3.28Å
151	L	98.8	Very high	98.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-66.7	-38	-178.1	-65.9	176.1	0	0	0	112.5	L102 F124 I128 L147 T153 S154 Y155	L102-L151 HydrophobicContact CD1-CD1 3.88Å; L102-L151 HydrophobicContact CD2-CD1 3.86Å; F124-L151 HydrophobicContact CB-CD1 3.93Å; F124-L151 HydrophobicContact CB-CD2 3.55Å; F124-L151 HydrophobicContact CB-CG 4.36Å; F124-L151 HydrophobicContact CD1-CD1 4.01Å; F124-L151 HydrophobicContact CD2-CD1 4.34Å; F124-L151 HydrophobicContact CD2-CD2 4.07Å; F124-L151 HydrophobicContact CG-CD1 3.87Å; F124-L151 HydrophobicContact CG-CD2 3.99Å; I128-L151 HydrophobicContact CD1-CB 4.22Å; L147-L151 HydrophobicContact CD1-CD1 4.23Å; L147-L151 HydrophobicContact CD1-CG 4.1Å; L147-L151 HydrophobicContact CG-CD1 4.07Å; L147-L151 HydrophobicContact CG-CG 4.38Å; L147-L151 WeakPolarHBondContact O-CG 3.29Å; L147-L151 PolarHBondContact O-N 3.49Å; L151-T153 VanDerWaalsContact C-N 3.27Å; L151-T153 PolarHBondContact O-N 3.29Å; L151-S154 PolarHBondContact O-N 2.82Å; L151-Y155 VanDerWaalsContact O-CB 3.23Å; L151-Y155 WeakPolarHBondContact O-CB 3.24Å; L151-Y155 PolarHBondContact O-N 3.2Å
152	A	98.9	Very high	98.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.3	-35.5	174	0	0	0	0	0	112	L142 G148 F150 S156 L166	L142-A152 HydrophobicContact CD2-CB 3.66Å; L142-A152 HydrophobicContact CG-CB 3.81Å; G148-A152 WeakPolarHBondContact O-CB 3.35Å; G148-A152 PolarHBondContact O-N 3.13Å; F150-A152 PolarHBondContact O-N 3.49Å; A152-S156 WeakPolarHBondContact O-CB 3.29Å; A152-S156 PolarHBondContact O-N 2.74Å; A152-S156 PolarHBondContact O-OG 2.72Å; A152-L166 HydrophobicContact CB-CD1 3.74Å
153	T	98.8	Very high	98.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-67.3	-50.3	174.3	-53	0	0	0	0	110.7	G149 F150 L151 Y155 S156 I157 L168 F174 M270 I274 I277	G149-T153 WeakPolarHBondContact O-CB 2.91Å; G149-T153 PolarHBondContact O-N 3.01Å; G149-T153 PolarHBondContact O-OG1 3.41Å; F150-T153 WeakPolarHBondContact O-CB 3.19Å; F150-T153 PolarHBondContact O-N 2.58Å; L151-T153 VanDerWaalsContact C-N 3.27Å; L151-T153 PolarHBondContact O-N 3.29Å; T153-Y155 VanDerWaalsContact C-N 3.29Å; T153-Y155 PolarHBondContact O-N 3.01Å; T153-S156 PolarHBondContact O-N 2.69Å; T153-S156 VanDerWaalsContact O-N 3.13Å; T153-I157 WeakPolarHBondContact O-CG1 3.25Å; T153-I157 PolarHBondContact O-N 3.38Å; T153-L168 WeakPolarHBondContact OG1-CD2 3.03Å; T153-F174 HydrophobicContact CG2-CZ 4.12Å; T153-F174 WeakPolarHBondContact OG1-CZ 3.48Å; T153-M270 HydrophobicContact CG2-CB 4.36Å; T153-M270 HydrophobicContact CG2-CG 3.96Å; T153-M270 HydrophobicContact CG2-SD 3.43Å; T153-M270 WeakPolarHBondContact CG2-SD 3.41Å; T153-I274 HydrophobicContact CG2-CD1 3.43Å; T153-I274 VanDerWaalsContact CG2-CD1 3.43Å; T153-I277 HydrophobicContact CG2-CD1 3.8Å
154	S	98.8	Very high	98.4	Very high	6 Å²	6	25.7 Å²	25.7	4%	0.042	12%	0.12	C	C	.	.	H	α-helix	trans	-56.1	-43.5	174	-62.6	0	0	0	0	112.5	E121 F150 L151 S156 I157 K158 M270	E121-S154 VanDerWaalsContact CD-OG 3.24Å; E121-S154 VanDerWaalsContact OE1-CB 3.29Å; E121-S154 WeakPolarHBondContact OE1-CB 3.35Å; E121-S154 PolarHBondContact OE1-OG 3.1Å; F150-S154 PolarHBondContact O-N 2.77Å; F150-S154 PolarHBondContact O-OG 3.4Å; L151-S154 PolarHBondContact O-N 2.82Å; S154-S156 VanDerWaalsContact C-N 3.35Å; S154-S156 PolarHBondContact O-N 3.33Å; S154-I157 WeakPolarHBondContact O-CB 3.31Å; S154-I157 PolarHBondContact O-N 3.42Å; S154-K158 PolarHBondContact O-N 3.34Å; S154-M270 WeakPolarHBondContact OG-CE 3.48Å
155	Y	98.9	Very high	98.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.2	-44.8	176.4	179	-86.7	0	0	0	111.3	V125 I128 E129 R132 M140 L142 L151 T153 I157 K158 Y159 R162 V163	V125-Y155 HydrophobicContact CG1-CD2 4.21Å; I128-Y155 HydrophobicContact CB-CD2 4.14Å; I128-Y155 HydrophobicContact CB-CE2 4.47Å; I128-Y155 HydrophobicContact CG2-CD2 3.75Å; I128-Y155 HydrophobicContact CG2-CE2 3.91Å; I128-Y155 HydrophobicContact CG2-CG 4.42Å; E129-Y155 HydrophobicContact CB-CE2 3.9Å; E129-Y155 WeakPolarHBondContact OE2-CE2 3.37Å; E129-Y155 PolarHBondContact OE2-OH 3.43Å; R132-Y155 VanDerWaalsContact CD-OH 3.22Å; R132-Y155 WeakPolarHBondContact CD-OH 3.38Å; R132-Y155 PolarHBondContact NE-OH 2.89Å; M140-Y155 HydrophobicContact CE-CD1 4.12Å; M140-Y155 HydrophobicContact CE-CE1 3.37Å; L142-Y155 HydrophobicContact CD2-CD1 3.54Å; L142-Y155 HydrophobicContact CD2-CE1 4.24Å; L142-Y155 HydrophobicContact CD2-CG 4.18Å; L151-Y155 VanDerWaalsContact O-CB 3.23Å; L151-Y155 WeakPolarHBondContact O-CB 3.24Å; L151-Y155 PolarHBondContact O-N 3.2Å; T153-Y155 VanDerWaalsContact C-N 3.29Å; T153-Y155 PolarHBondContact O-N 3.01Å; Y155-I157 VanDerWaalsContact C-N 3.27Å; Y155-I157 PolarHBondContact O-N 2.99Å; Y155-K158 PolarHBondContact O-N 2.9Å; Y155-K158 VanDerWaalsContact O-N 3.13Å; Y155-Y159 AromaticContact CD2-CD2 3.71Å; Y155-Y159 HydrophobicContact CD2-CD2 3.71Å; Y155-Y159 HydrophobicContact CD2-CE2 4.31Å; Y155-Y159 AromaticContact CE2-CD2 3.52Å; Y155-Y159 HydrophobicContact CE2-CD2 3.52Å; Y155-Y159 HydrophobicContact CE2-CE2 4.18Å; Y155-Y159 HydrophobicContact CE2-CG 4.21Å; Y155-Y159 HydrophobicContact CG-CD2 4.32Å; Y155-Y159 PolarHBondContact O-N 3.25Å; Y155-R162 HydrophobicContact CE1-CB 4.09Å; Y155-R162 VanDerWaalsContact OH-CB 3.32Å; Y155-R162 WeakPolarHBondContact OH-CB 3.36Å; Y155-V163 HydrophobicContact CD1-CG2 3.82Å; Y155-V163 HydrophobicContact CE1-CG2 3.7Å
156	S	98.8	Very high	98.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-67.3	-25.7	179.1	-55.9	0	0	0	0	113.4	A152 T153 S154 P160	A152-S156 WeakPolarHBondContact O-CB 3.29Å; A152-S156 PolarHBondContact O-N 2.74Å; A152-S156 PolarHBondContact O-OG 2.72Å; T153-S156 PolarHBondContact O-N 2.69Å; T153-S156 VanDerWaalsContact O-N 3.13Å; S154-S156 VanDerWaalsContact C-N 3.35Å; S154-S156 PolarHBondContact O-N 3.33Å; S156-P160 WeakPolarHBondContact O-CA 3.3Å
157	I	98.6	Very high	98.5	Very high	43 Å²	43	25.1 Å²	25.1	22%	0.221	12%	0.116	C	C	.	.	H	α-helix	trans	-69.3	-44.1	170.8	-66.2	168.7	0	0	0	110.3	T153 S154 Y155 M270 R273 L276 I277	T153-I157 WeakPolarHBondContact O-CG1 3.25Å; T153-I157 PolarHBondContact O-N 3.38Å; S154-I157 WeakPolarHBondContact O-CB 3.31Å; S154-I157 PolarHBondContact O-N 3.42Å; Y155-I157 VanDerWaalsContact C-N 3.27Å; Y155-I157 PolarHBondContact O-N 2.99Å; I157-M270 HydrophobicContact CD1-SD 4.46Å; I157-R273 HydrophobicContact CD1-CB 3.97Å; I157-L276 HydrophobicContact CD1-CB 4.41Å; I157-L276 HydrophobicContact CG1-CB 4.23Å; I157-L276 HydrophobicContact CG2-CB 3.85Å; I157-L276 HydrophobicContact CG2-CD1 4.38Å; I157-I277 HydrophobicContact CD1-CG1 4.45Å; I157-I277 HydrophobicContact CG1-CD1 4.39Å; I157-I277 HydrophobicContact CG1-CG1 3.48Å; I157-I277 VanDerWaalsContact CG1-CG1 3.48Å
158	K	98.6	Very high	98.6	Very high	89 Å²	89	25.1 Å²	25.1	39%	0.387	12%	0.116	S	C	.	.	H	α-helix	trans	-80.8	-33.2	-174.8	-165.4	173.6	179.6	-175.5	0	113.2	D122 V125 T126 S154 Y155	D122-K158 IonicContact OD1-NZ 3.58Å; D122-K158 PolarHBondContact OD1-NZ 2.82Å; D122-K158 IonicContact OD2-NZ 2.69Å; V125-K158 HydrophobicContact CG1-CB 4.43Å; V125-K158 HydrophobicContact CG1-CD 3.95Å; T126-K158 PolarHBondContact OG1-NZ 2.75Å; S154-K158 PolarHBondContact O-N 3.34Å; Y155-K158 PolarHBondContact O-N 2.9Å; Y155-K158 VanDerWaalsContact O-N 3.13Å
159	Y	98.6	Very high	98.6	Very high	55 Å²	55	25.1 Å²	25.1	22%	0.216	12%	0.116	C	C	.	.			trans	-133	58.2	-173	-53.7	-72.2	0	0	0	112.7	V125 E129 Y155 D161 R162	V125-Y159 HydrophobicContact CG1-CD2 4.37Å; V125-Y159 HydrophobicContact CG1-CE2 3.9Å; E129-Y159 HydrophobicContact CB-CD2 4.19Å; E129-Y159 HydrophobicContact CB-CE2 3.63Å; E129-Y159 HydrophobicContact CG-CD1 4.29Å; E129-Y159 HydrophobicContact CG-CD2 4.32Å; E129-Y159 HydrophobicContact CG-CE1 3.83Å; E129-Y159 HydrophobicContact CG-CE2 3.86Å; Y155-Y159 AromaticContact CD2-CD2 3.71Å; Y155-Y159 HydrophobicContact CD2-CD2 3.71Å; Y155-Y159 HydrophobicContact CD2-CE2 4.31Å; Y155-Y159 AromaticContact CE2-CD2 3.52Å; Y155-Y159 HydrophobicContact CE2-CD2 3.52Å; Y155-Y159 HydrophobicContact CE2-CE2 4.18Å; Y155-Y159 HydrophobicContact CE2-CG 4.21Å; Y155-Y159 HydrophobicContact CG-CD2 4.32Å; Y155-Y159 PolarHBondContact O-N 3.25Å; Y159-D161 VanDerWaalsContact C-N 3.27Å; Y159-D161 PolarHBondContact O-N 3.47Å; Y159-R162 WeakPolarHBondContact O-CB 3.42Å; Y159-R162 PolarHBondContact O-N 2.76Å
160	P	97.8	Very high	98.5	Very high	27 Å²	27	25.1 Å²	25.1	18%	0.175	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-61.4	-31.8	-173.8	25	-35	0	0	0	113.5	S156 R162 V163 R278 V281	S156-P160 WeakPolarHBondContact O-CA 3.3Å; P160-R162 PolarHBondContact O-N 3.09Å; P160-R162 VanDerWaalsContact O-N 3.13Å; P160-V163 PolarHBondContact O-N 2.96Å; P160-R278 HydrophobicContact CB-CB 3.69Å; P160-R278 HydrophobicContact CG-CB 4.31Å; P160-V281 HydrophobicContact CB-CG2 4.22Å
161	D	97.9	Very high	98.4	Very high	103 Å²	103	25.1 Å²	25.1	55%	0.551	12%	0.116	S	C	*	.	G	3₁₀ helix	trans	-62.7	-18.3	177.4	-72.4	-55.2	0	0	0	114.4	Y159 R278	Y159-D161 VanDerWaalsContact C-N 3.27Å; Y159-D161 PolarHBondContact O-N 3.47Å; D161-R278 IonicContact OD1-CZ 3.14Å; D161-R278 IonicContact OD1-NH1 2.74Å; D161-R278 PolarHBondContact OD1-NH1 3.29Å; D161-R278 IonicContact OD1-NH2 3.61Å; D161-R278 IonicContact OD2-NH1 2.74Å
162	R	98.5	Very high	98.2	Very high	91 Å²	91	25.3 Å²	25.3	34%	0.343	12%	0.117	S	C	.	.	G	3₁₀ helix	trans	-91.5	-10.8	-177.2	-52.2	-54.6	179.6	-162.8	-4.1	112.5	P138 S139 M140 Y155 Y159 P160	P138-R162 VanDerWaalsContact O-CD 3.22Å; P138-R162 WeakPolarHBondContact O-CD 3.44Å; P138-R162 PolarHBondContact O-NH1 3.4Å; S139-R162 CarbonylContact C-O 3.56Å; S139-R162 VanDerWaalsContact CA-O 3.24Å; S139-R162 WeakPolarHBondContact CA-O 3.48Å; M140-R162 PolarHBondContact N-O 3.38Å; Y155-R162 HydrophobicContact CE1-CB 4.09Å; Y155-R162 VanDerWaalsContact OH-CB 3.32Å; Y155-R162 WeakPolarHBondContact OH-CB 3.36Å; Y159-R162 WeakPolarHBondContact O-CB 3.42Å; Y159-R162 PolarHBondContact O-N 2.76Å; P160-R162 PolarHBondContact O-N 3.09Å; P160-R162 VanDerWaalsContact O-N 3.13Å
163	V	98.8	Very high	97.8	Very high	5 Å²	5	25.4 Å²	25.4	3%	0.03	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	114.1	-173.4	-175.8	0	0	0	0	110	M140 L142 Y155 P160 L166 V281	M140-V163 WeakPolarHBondContact O-CA 3.31Å; L142-V163 HydrophobicContact CB-CG1 4.13Å; L142-V163 HydrophobicContact CB-CG2 4.42Å; L142-V163 HydrophobicContact CD2-CG2 4.19Å; Y155-V163 HydrophobicContact CD1-CG2 3.82Å; Y155-V163 HydrophobicContact CE1-CG2 3.7Å; P160-V163 PolarHBondContact O-N 2.96Å; V163-L166 HydrophobicContact CG1-CB 4.21Å; V163-V281 HydrophobicContact CB-CG1 4.36Å; V163-V281 HydrophobicContact CG1-CG1 3.97Å
164	K	98.6	Very high	97.5	Very high	104 Å²	104	25.4 Å²	25.4	45%	0.452	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-31.5	176.6	-65	-63.7	-170.8	173.4	0	112.6	T69 S139 M140 P282 V341	T69-K164 HydrophobicContact CG2-CB 4.23Å; T69-K164 HydrophobicContact CG2-CG 3.94Å; S139-K164 WeakPolarHBondContact OG-CE 3.2Å; M140-K164 PolarHBondContact O-N 2.72Å; K164-P282 WeakPolarHBondContact O-CD 3.48Å; K164-V341 HydrophobicContact CB-CG1 3.62Å; K164-V341 HydrophobicContact CG-CG1 4.38Å
165	H	98.8	Very high	97.1	Very high	3 Å²	3	25.8 Å²	25.8	1%	0.014	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	136.7	173.3	-160	116.4	0	0	0	109	I141 L142 P282 T284 Y309 I337 V341	I141-H165 HydrophobicContact CG1-CB 4.43Å; I141-H165 HydrophobicContact CG2-CB 4.23Å; L142-H165 PolarHBondContact N-O 2.65Å; H165-P282 WeakPolarHBondContact ND1-CB 3.31Å; H165-T284 PolarHBondContact NE2-OG1 2.9Å; H165-Y309 AromaticContact CE1-CE1 3.83Å; H165-I337 WeakPolarHBondContact NE2-CG2 3.32Å; H165-V341 HydrophobicContact CB-CG2 3.68Å
166	L	98.9	Very high	96.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	115.8	176.6	179.7	61.6	0	0	0	110	L142 A152 V163 L168 I277 V281 P282 I283 T284	L142-L166 HydrophobicContact CB-CD1 4.46Å; L142-L166 HydrophobicContact CD2-CD1 4.46Å; L142-L166 HydrophobicContact CG-CD1 4.48Å; L142-L166 WeakPolarHBondContact O-CA 3.41Å; A152-L166 HydrophobicContact CB-CD1 3.74Å; V163-L166 HydrophobicContact CG1-CB 4.21Å; L166-L168 HydrophobicContact CD1-CD2 3.81Å; L166-L168 HydrophobicContact CD1-CG 4.39Å; L166-L168 HydrophobicContact CD2-CD1 4.07Å; L166-L168 HydrophobicContact CD2-CD2 4.12Å; L166-L168 HydrophobicContact CD2-CG 4.2Å; L166-L168 HydrophobicContact CG-CD1 4.31Å; L166-L168 HydrophobicContact CG-CD2 3.86Å; L166-L168 HydrophobicContact CG-CG 3.92Å; L166-I277 HydrophobicContact CD2-CD1 3.85Å; L166-V281 HydrophobicContact CB-CG1 4.42Å; L166-P282 PolarHBondContact N-O 3.06Å; L166-I283 HydrophobicContact CB-CG1 4.39Å; L166-I283 HydrophobicContact CD2-CD1 4.44Å; L166-I283 HydrophobicContact CD2-CG1 4.38Å; L166-I283 CarbonylContact O-C 3.52Å; L166-I283 WeakPolarHBondContact O-CA 3.11Å; L166-T284 PolarHBondContact O-N 3.24Å
167	I	98.9	Very high	95.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	118.9	177.1	-53.2	175.8	0	0	0	108.6	I141 L142 L143 G144 V169 T284 I286 V334 I337	I141-I167 HydrophobicContact CG2-CD1 3.72Å; I141-I167 HydrophobicContact CG2-CG1 4.19Å; L142-I167 PolarHBondContact O-N 2.63Å; L143-I167 CarbonylContact C-O 3.56Å; L143-I167 VanDerWaalsContact CA-O 3.3Å; L143-I167 WeakPolarHBondContact CA-O 3.32Å; L143-I167 HydrophobicContact CB-CB 4.05Å; L143-I167 HydrophobicContact CD1-CB 4.19Å; L143-I167 HydrophobicContact CD1-CD1 4.29Å; L143-I167 HydrophobicContact CD1-CG2 3.88Å; L143-I167 HydrophobicContact CG-CB 3.96Å; L143-I167 HydrophobicContact CG-CG2 3.95Å; G144-I167 PolarHBondContact N-O 2.82Å; I167-V169 HydrophobicContact CG2-CG2 4.17Å; I167-T284 WeakPolarHBondContact CA-O 3.45Å; I167-I286 HydrophobicContact CG2-CD1 3.73Å; I167-I286 HydrophobicContact CG2-CG1 4.37Å; I167-V334 HydrophobicContact CD1-CG1 4.19Å; I167-I337 HydrophobicContact CD1-CB 4.17Å; I167-I337 HydrophobicContact CD1-CD1 4.15Å; I167-I337 HydrophobicContact CD1-CG2 3.71Å; I167-I337 HydrophobicContact CG1-CD1 4.37Å; I167-I337 HydrophobicContact CG1-CG2 3.98Å; I167-I337 HydrophobicContact CG2-CD1 4.44Å
168	L	98.8	Very high	95	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	108.2	-175.4	-62.4	177.1	0	0	0	109.8	G149 T153 L166 P171 F174 I283 T284 M285 I286	G149-L168 WeakPolarHBondContact O-CD2 3.29Å; T153-L168 WeakPolarHBondContact OG1-CD2 3.03Å; L166-L168 HydrophobicContact CD1-CD2 3.81Å; L166-L168 HydrophobicContact CD1-CG 4.39Å; L166-L168 HydrophobicContact CD2-CD1 4.07Å; L166-L168 HydrophobicContact CD2-CD2 4.12Å; L166-L168 HydrophobicContact CD2-CG 4.2Å; L166-L168 HydrophobicContact CG-CD1 4.31Å; L166-L168 HydrophobicContact CG-CD2 3.86Å; L166-L168 HydrophobicContact CG-CG 3.92Å; L168-P171 HydrophobicContact CB-CB 4.28Å; L168-P171 HydrophobicContact CB-CG 4.03Å; L168-F174 HydrophobicContact CD1-CE1 4.06Å; L168-F174 HydrophobicContact CD1-CZ 3.55Å; L168-I283 HydrophobicContact CD1-CG2 3.88Å; L168-I283 HydrophobicContact CG-CG2 4.45Å; L168-T284 PolarHBondContact N-O 2.88Å; L168-M285 HydrophobicContact CB-CE 4.45Å; L168-M285 HydrophobicContact CB-SD 3.78Å; L168-M285 HydrophobicContact CD1-CE 4.34Å; L168-M285 HydrophobicContact CD1-SD 3.36Å; L168-M285 WeakPolarHBondContact CD1-SD 3.47Å; L168-M285 HydrophobicContact CG-SD 4.13Å; L168-M285 WeakPolarHBondContact O-CA 3.44Å; L168-I286 PolarHBondContact O-N 3.26Å
169	V	98.5	Very high	94.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	110.5	-175.9	-171.3	0	0	0	0	109.1	L143 G144 H145 S146 I167 P171 I286 V322 F330	L143-V169 HydrophobicContact CD1-CG2 4.28Å; L143-V169 HydrophobicContact CD2-CG2 3.87Å; L143-V169 HydrophobicContact CG-CG2 3.99Å; G144-V169 PolarHBondContact O-N 3.41Å; H145-V169 VanDerWaalsContact CA-O 3.3Å; H145-V169 WeakPolarHBondContact CA-O 3.48Å; H145-V169 HydrophobicContact CB-CB 4.46Å; H145-V169 PolarHBondContact CD2-O 2.92Å; S146-V169 PolarHBondContact N-O 3.49Å; I167-V169 HydrophobicContact CG2-CG2 4.17Å; V169-P171 VanDerWaalsContact C-N 3.33Å; V169-I286 CarbonylContact C-O 3.48Å; V169-I286 WeakPolarHBondContact CA-O 3.45Å; V169-V322 HydrophobicContact CG1-CB 3.91Å; V169-V322 HydrophobicContact CG1-CG2 3.88Å; V169-F330 HydrophobicContact CB-CE2 4.39Å; V169-F330 HydrophobicContact CG1-CE2 3.77Å; V169-F330 HydrophobicContact CG1-CZ 4.46Å; V169-F330 HydrophobicContact CG2-CE2 3.67Å; V169-F330 HydrophobicContact CG2-CZ 3.99Å
170	D	96.2	Very high	93.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	42.2	54.7	-176.9	-96.3	-75.9	0	0	0	113	S146 I286 Y287 G288 T291 H320 V322	S146-D170 VanDerWaalsContact CA-O 3.25Å; S146-D170 WeakPolarHBondContact CA-O 3.46Å; S146-D170 PolarHBondContact N-O 2.99Å; D170-I286 PolarHBondContact N-O 2.78Å; D170-Y287 WeakPolarHBondContact OD2-CA 3.32Å; D170-G288 PolarHBondContact OD2-N 2.92Å; D170-T291 WeakPolarHBondContact OD1-CB 3.39Å; D170-T291 WeakPolarHBondContact OD1-CG2 3.36Å; D170-T291 PolarHBondContact OD1-OG1 3.34Å; D170-H320 PolarHBondContact O-CE1 2.62Å; D170-V322 HydrophobicContact CB-CG2 4.47Å; D170-V322 WeakPolarHBondContact OD2-CG2 3.47Å
171	P	96.5	Very high	92.3	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.006	22%	0.218	C	C	.	.			trans	-70.2	137.5	-167.6	31.4	-38.4	0	0	0	111.9	L168 V169 F174 M285 Y287	L168-P171 HydrophobicContact CB-CB 4.28Å; L168-P171 HydrophobicContact CB-CG 4.03Å; V169-P171 VanDerWaalsContact C-N 3.33Å; P171-F174 HydrophobicContact CB-CD2 3.76Å; P171-F174 HydrophobicContact CB-CE2 3.47Å; P171-F174 VanDerWaalsContact CB-CE2 3.47Å; P171-F174 HydrophobicContact CB-CZ 4.18Å; P171-F174 HydrophobicContact CG-CD2 3.96Å; P171-F174 HydrophobicContact CG-CE2 3.86Å; P171-F174 HydrophobicContact CG-CG 4.46Å; P171-F174 HydrophobicContact CG-CZ 4.23Å; P171-M285 HydrophobicContact CG-CE 3.67Å; P171-Y287 HydrophobicContact CG-CE1 4.46Å
172	W	93.6	Very high	91.1	Very high	5 Å²	5	41.9 Å²	41.9	2%	0.019	22%	0.224	C	C	.	.	S	Bend	trans	-84.7	156.1	175.6	171.8	82.5	0	0	0	111.1	S146 L147 F150 F174 F256 M259 M260 G264 A266	S146-W172 PolarHBondContact O-N 3.37Å; L147-W172 HydrophobicContact CD1-CE3 4.29Å; L147-W172 HydrophobicContact CD1-CZ3 4.37Å; F150-W172 HydrophobicContact CB-CE3 4.14Å; F150-W172 WeakPolarHBondContact CB-O 3.27Å; F150-W172 HydrophobicContact CD2-CE3 4.04Å; F150-W172 AromaticContact CD2-CZ3 3.99Å; F150-W172 HydrophobicContact CD2-CZ3 3.99Å; F150-W172 HydrophobicContact CE2-CZ3 4.2Å; F150-W172 HydrophobicContact CG-CE3 4.12Å; F150-W172 HydrophobicContact CG-CZ3 4.14Å; W172-F174 PolarHBondContact O-N 3.28Å; W172-F256 AromaticContact CD2-CE2 3.83Å; W172-F256 HydrophobicContact CD2-CE2 3.83Å; W172-F256 HydrophobicContact CD2-CZ 4.05Å; W172-F256 AromaticContact CE2-CE2 3.89Å; W172-F256 AromaticContact CE2-CZ 3.76Å; W172-F256 AromaticContact CE3-CE2 3.74Å; W172-F256 HydrophobicContact CE3-CE2 3.74Å; W172-F256 HydrophobicContact CE3-CZ 4.41Å; W172-F256 HydrophobicContact CH2-CD2 4.45Å; W172-F256 AromaticContact CH2-CE2 3.76Å; W172-F256 HydrophobicContact CH2-CE2 3.76Å; W172-F256 HydrophobicContact CH2-CZ 4.22Å; W172-F256 AromaticContact CZ2-CE2 3.88Å; W172-F256 HydrophobicContact CZ2-CE2 3.88Å; W172-F256 AromaticContact CZ2-CZ 3.86Å; W172-F256 HydrophobicContact CZ2-CZ 3.86Å; W172-F256 HydrophobicContact CZ3-CD2 4.38Å; W172-F256 AromaticContact CZ3-CE2 3.7Å; W172-F256 HydrophobicContact CZ3-CE2 3.7Å; W172-F256 HydrophobicContact CZ3-CZ 4.48Å; W172-M259 HydrophobicContact CH2-CB 4.49Å; W172-M260 HydrophobicContact CH2-CB 4.43Å; W172-M260 HydrophobicContact CZ2-CB 4.21Å; W172-M260 HydrophobicContact CZ2-CG 4.07Å; W172-G264 VanDerWaalsContact NE1-C 3.31Å; W172-G264 PolarHBondContact NE1-O 3.01Å; W172-A266 HydrophobicContact CH2-CB 3.58Å; W172-A266 HydrophobicContact CZ2-CB 4.09Å; W172-A266 HydrophobicContact CZ3-CB 3.9Å
173	G	91.1	Very high	89.8	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.01	24%	0.235	C	C	.	.	S	Bend	trans	77	20.6	166.6	0	0	0	0	0	114.9	P269 M270	G173-P269 CarbonylContact O-C 3.58Å; G173-P269 VanDerWaalsContact O-CA 3.29Å; G173-P269 WeakPolarHBondContact O-CA 3.24Å; G173-M270 PolarHBondContact O-N 3.09Å
174	F	93.1	Very high	88.5	Confident	1 Å²	1	45.8 Å²	45.8	0%	0.004	25%	0.247	C	C	.	.			trans	-85.4	-54.8	175.6	-86.5	-115.9	0	0	0	114.3	T153 L168 P171 W172 P269 M270 L271 I274 M285 T297 V301	T153-F174 HydrophobicContact CG2-CZ 4.12Å; T153-F174 WeakPolarHBondContact OG1-CZ 3.48Å; L168-F174 HydrophobicContact CD1-CE1 4.06Å; L168-F174 HydrophobicContact CD1-CZ 3.55Å; P171-F174 HydrophobicContact CB-CD2 3.76Å; P171-F174 HydrophobicContact CB-CE2 3.47Å; P171-F174 VanDerWaalsContact CB-CE2 3.47Å; P171-F174 HydrophobicContact CB-CZ 4.18Å; P171-F174 HydrophobicContact CG-CD2 3.96Å; P171-F174 HydrophobicContact CG-CE2 3.86Å; P171-F174 HydrophobicContact CG-CG 4.46Å; P171-F174 HydrophobicContact CG-CZ 4.23Å; W172-F174 PolarHBondContact O-N 3.28Å; F174-P269 WeakPolarHBondContact O-CB 3.06Å; F174-M270 HydrophobicContact CB-CB 4.41Å; F174-M270 HydrophobicContact CD1-CB 3.76Å; F174-M270 HydrophobicContact CD2-CB 3.71Å; F174-M270 HydrophobicContact CD2-CG 4.02Å; F174-M270 HydrophobicContact CE1-CB 3.84Å; F174-M270 HydrophobicContact CE2-CB 3.72Å; F174-M270 HydrophobicContact CE2-CG 3.76Å; F174-M270 HydrophobicContact CG-CB 3.71Å; F174-M270 HydrophobicContact CZ-CB 3.79Å; F174-M270 HydrophobicContact CZ-CG 4.09Å; F174-L271 HydrophobicContact CB-CG 4.44Å; F174-L271 WeakPolarHBondContact O-CB 3.28Å; F174-L271 WeakPolarHBondContact O-CG 3.4Å; F174-L271 PolarHBondContact O-N 2.78Å; F174-L271 VanDerWaalsContact O-N 3.08Å; F174-I274 HydrophobicContact CE1-CD1 4.04Å; F174-I274 HydrophobicContact CZ-CD1 4.43Å; F174-M285 HydrophobicContact CD1-CE 4.31Å; F174-M285 HydrophobicContact CE1-CE 4.08Å; F174-M285 HydrophobicContact CE1-SD 4.45Å; F174-T297 HydrophobicContact CB-CG2 3.35Å; F174-T297 HydrophobicContact CD1-CG2 3.29Å; F174-T297 HydrophobicContact CE1-CG2 4.34Å; F174-T297 HydrophobicContact CG-CG2 3.62Å; F174-V301 HydrophobicContact CD1-CG2 4.17Å; F174-V301 HydrophobicContact CE1-CG2 4.13Å
175	P	89.3	Confident	87.1	Confident	14 Å²	14	47.4 Å²	47.4	9%	0.091	25%	0.25	C	S	.	.	S	Bend	trans	-70.7	147.7	-175.7	29.7	-36.2	0	0	0	111.5	D294	P175-D294 HydrophobicContact CB-CB 4.49Å; P175-D294 HydrophobicContact CG-CB 4.19Å
176	L	86.4	Confident	85.6	Confident	96 Å²	96	51.1 Å²	51.1	50%	0.503	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-62.8	148.6	160.7	-81.7	157.4	0	0	0	109.7	P178 P269 E272	L176-P178 WeakPolarHBondContact O-CD 3.42Å; L176-P269 HydrophobicContact CD2-CG 3.65Å; L176-P269 HydrophobicContact CG-CG 4.04Å; L176-E272 HydrophobicContact CD1-CG 4.24Å; L176-E272 HydrophobicContact CD2-CG 4.42Å; L176-E272 WeakPolarHBondContact CD2-OE1 3.23Å; L176-E272 HydrophobicContact CG-CG 4.39Å
177	R	84.3	Confident	84.1	Confident	115 Å²	115	53 Å²	53	43%	0.434	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-66.3	123	173.1	-170.8	179.9	178.8	-171.2	-3	109.6	T179 E261 W265	R177-T179 PolarHBondContact O-N 3.2Å; R177-E261 WeakPolarHBondContact CD-OE1 3.32Å; R177-E261 IonicContact CZ-OE1 3.73Å; R177-E261 IonicContact NE-OE1 3.7Å; R177-E261 IonicContact NH1-OE1 2.78Å; R177-E261 PolarHBondContact NH1-OE1 3.5Å; R177-W265 HydrophobicContact CB-CB 4.23Å; R177-W265 HydrophobicContact CB-CD2 4.4Å; R177-W265 HydrophobicContact CB-CG 3.85Å; R177-W265 HydrophobicContact CG-CD2 4.05Å; R177-W265 HydrophobicContact CG-CG 4.02Å
178	P	82.2	Confident	82.5	Confident	33 Å²	33	55 Å²	55	21%	0.214	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-59.4	136.3	173.3	-22	32.6	0	0	0	110.2	L176 N180 E183 I184	L176-P178 WeakPolarHBondContact O-CD 3.42Å; P178-N180 VanDerWaalsContact C-N 3.27Å; P178-E183 HydrophobicContact CB-CB 3.89Å; P178-E183 HydrophobicContact CG-CB 4.24Å; P178-I184 HydrophobicContact CG-CG1 4.35Å
179	T	82.3	Confident	80.8	Confident	146 Å²	146	60.5 Å²	60.5	90%	0.896	34%	0.341	S	S	*	.	S	Bend	trans	-72.6	-27.1	173.2	51.3	0	0	0	0	111.4	R177 P181	R177-T179 PolarHBondContact O-N 3.2Å; T179-P181 WeakPolarHBondContact O-CD 3.42Å
180	N	79.7	Confident	78.9	Confident	68 Å²	68	63.1 Å²	63.1	36%	0.364	35%	0.351	S	S	.	.	S	Bend	trans	-92.8	115.8	177.4	-175	-7.6	0	0	0	111.1	P178 S182 E183	P178-N180 VanDerWaalsContact C-N 3.27Å; N180-S182 PolarHBondContact ND2-OG 3.22Å; N180-S182 PolarHBondContact O-N 3.13Å; N180-S182 VanDerWaalsContact O-N 3.11Å; N180-S182 PolarHBondContact OD1-N 3.07Å; N180-S182 VanDerWaalsContact OD1-N 3.12Å; N180-S182 PolarHBondContact OD1-OG 2.66Å; N180-E183 HydrophobicContact CB-CG 4.26Å; N180-E183 PolarHBondContact O-N 2.89Å; N180-E183 VanDerWaalsContact O-N 3.14Å
181	P	75.2	Confident	77.4	Confident	101 Å²	101	63.2 Å²	63.2	66%	0.656	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-59.7	-23.5	-179.8	-25.5	35.3	0	0	0	114.9	T179 E183 I184	T179-P181 WeakPolarHBondContact O-CD 3.42Å; P181-E183 PolarHBondContact O-N 2.88Å; P181-I184 WeakPolarHBondContact O-CB 3.25Å; P181-I184 PolarHBondContact O-N 2.86Å
182	S	73.1	Confident	75.9	Confident	96 Å²	96	68.4 Å²	68.4	67%	0.671	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-70.7	-17.5	179.2	61.9	0	0	0	0	113.9	N180 I184	N180-S182 PolarHBondContact ND2-OG 3.22Å; N180-S182 PolarHBondContact O-N 3.13Å; N180-S182 VanDerWaalsContact O-N 3.11Å; N180-S182 PolarHBondContact OD1-N 3.07Å; N180-S182 VanDerWaalsContact OD1-N 3.12Å; N180-S182 PolarHBondContact OD1-OG 2.66Å; S182-I184 VanDerWaalsContact C-N 3.32Å
183	E	71.2	Confident	74.2	Confident	124 Å²	124	69.5 Å²	69.5	58%	0.579	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-85.3	-8.3	176.6	-65.8	172.2	-152.4	0	0	112.5	P178 N180 P181 R185	P178-E183 HydrophobicContact CB-CB 3.89Å; P178-E183 HydrophobicContact CG-CB 4.24Å; N180-E183 HydrophobicContact CB-CG 4.26Å; N180-E183 PolarHBondContact O-N 2.89Å; N180-E183 VanDerWaalsContact O-N 3.14Å; P181-E183 PolarHBondContact O-N 2.88Å; E183-R185 PolarHBondContact O-N 3.02Å
184	I	71.9	Confident	72.7	Confident	54 Å²	54	70.8 Å²	70.8	28%	0.277	39%	0.391	S	S	.	.	S	Bend	trans	-77.8	110.8	178.9	-64.8	175	0	0	0	109.2	P178 P181 S182 A186 W265	P178-I184 HydrophobicContact CG-CG1 4.35Å; P181-I184 WeakPolarHBondContact O-CB 3.25Å; P181-I184 PolarHBondContact O-N 2.86Å; S182-I184 VanDerWaalsContact C-N 3.32Å; I184-A186 PolarHBondContact O-N 3.33Å; I184-W265 HydrophobicContact CB-CH2 4.33Å; I184-W265 HydrophobicContact CB-CZ2 4.5Å; I184-W265 HydrophobicContact CD1-CH2 4.13Å; I184-W265 HydrophobicContact CD1-CZ2 4.4Å; I184-W265 HydrophobicContact CG1-CH2 4.02Å; I184-W265 HydrophobicContact CG1-CZ2 3.97Å; I184-W265 HydrophobicContact CG2-CH2 3.52Å; I184-W265 HydrophobicContact CG2-CZ2 4.07Å
185	R	69.8	Low	71	Confident	137 Å²	137	72.3 Å²	72.3	52%	0.517	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-56.8	133.4	171.5	-72.4	-176	177.1	175.8	-3.1	110.1	E183 P187 I293	E183-R185 PolarHBondContact O-N 3.02Å; R185-P187 VanDerWaalsContact O-CD 3.24Å; R185-P187 WeakPolarHBondContact O-CD 3.29Å; R185-I293 PolarHBondContact NH1-O 2.85Å
186	A	67.4	Low	69.2	Low	81 Å²	81	75.8 Å²	75.8	67%	0.669	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-63.3	119.1	179.2	0	0	0	0	0	110	I184	I184-A186 PolarHBondContact O-N 3.33Å
187	P	67.4	Low	67.4	Low	41 Å²	41	72.8 Å²	72.8	27%	0.266	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-68.3	152.3	179.7	13.9	-17.6	0	0	0	111.8	R185 V191 K192	R185-P187 VanDerWaalsContact O-CD 3.24Å; R185-P187 WeakPolarHBondContact O-CD 3.29Å; P187-V191 HydrophobicContact CB-CB 3.6Å; P187-V191 HydrophobicContact CB-CG1 3.19Å; P187-V191 HydrophobicContact CG-CG1 4.06Å; P187-K192 HydrophobicContact CB-CG 4.26Å; P187-K192 HydrophobicContact CG-CG 3.81Å; P187-K192 WeakPolarHBondContact O-CE 3.05Å
188	P	64.6	Low	65.5	Low	42 Å²	42	67.8 Å²	67.8	27%	0.273	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-55.8	158.4	170.3	-16.6	23.4	0	0	0	111.9	W190 V191 K192 W292	P188-W190 VanDerWaalsContact C-N 3.26Å; P188-W190 HydrophobicContact CB-CG 4.46Å; P188-W190 PolarHBondContact O-N 2.82Å; P188-V191 HydrophobicContact CB-CG2 4.47Å; P188-V191 HydrophobicContact CG-CG2 4.1Å; P188-V191 WeakPolarHBondContact O-CA 3.29Å; P188-V191 WeakPolarHBondContact O-CB 3.16Å; P188-V191 PolarHBondContact O-N 2.79Å; P188-K192 PolarHBondContact O-N 2.84Å; P188-W292 HydrophobicContact CG-CB 3.88Å; P188-W292 HydrophobicContact CG-CG 3.83Å
189	T	63.3	Low	63.8	Low	115 Å²	115	69.6 Å²	69.6	71%	0.706	42%	0.421	S	S	*	.	H	α-helix	trans	-56.4	-38.5	-177.8	-48.5	0	0	0	0	113	V191 K192 A193	T189-V191 VanDerWaalsContact C-N 3.33Å; T189-V191 PolarHBondContact O-N 3.32Å; T189-K192 PolarHBondContact O-N 3.27Å; T189-A193 WeakPolarHBondContact O-CB 3.42Å; T189-A193 PolarHBondContact O-N 3.42Å
190	W	59.2	Low	62.4	Low	55 Å²	55	72.7 Å²	72.7	21%	0.208	42%	0.416	C	S	.	.	H	α-helix	trans	-65.4	-37.5	176.4	73.9	-97.5	0	0	0	111.9	P188 A193 V194 F221 W292	P188-W190 VanDerWaalsContact C-N 3.26Å; P188-W190 HydrophobicContact CB-CG 4.46Å; P188-W190 PolarHBondContact O-N 2.82Å; W190-A193 PolarHBondContact O-N 2.69Å; W190-V194 HydrophobicContact CE3-CG2 4.29Å; W190-V194 VanDerWaalsContact O-CG2 3.29Å; W190-V194 WeakPolarHBondContact O-CG2 3.48Å; W190-V194 PolarHBondContact O-N 2.7Å; W190-F221 WeakPolarHBondContact CB-O 3.43Å; W190-W292 HydrophobicContact CH2-CZ2 4.38Å; W190-W292 AromaticContact CZ2-NE1 3.75Å
191	V	64.4	Low	61.2	Low	1 Å²	1	74.4 Å²	74.4	1%	0.006	43%	0.434	C	S	.	.	H	α-helix	trans	-65.9	-45.7	174.2	168.1	0	0	0	0	110.5	P187 P188 T189 A193 V194 A195 F263 W292	P187-V191 HydrophobicContact CB-CB 3.6Å; P187-V191 HydrophobicContact CB-CG1 3.19Å; P187-V191 HydrophobicContact CG-CG1 4.06Å; P188-V191 HydrophobicContact CB-CG2 4.47Å; P188-V191 HydrophobicContact CG-CG2 4.1Å; P188-V191 WeakPolarHBondContact O-CA 3.29Å; P188-V191 WeakPolarHBondContact O-CB 3.16Å; P188-V191 PolarHBondContact O-N 2.79Å; T189-V191 VanDerWaalsContact C-N 3.33Å; T189-V191 PolarHBondContact O-N 3.32Å; V191-A193 VanDerWaalsContact C-N 3.27Å; V191-A193 PolarHBondContact O-N 2.92Å; V191-V194 PolarHBondContact O-N 2.95Å; V191-A195 VanDerWaalsContact O-CB 3.27Å; V191-A195 WeakPolarHBondContact O-CB 3.49Å; V191-A195 PolarHBondContact O-N 3.43Å; V191-F263 HydrophobicContact CB-CD1 4.45Å; V191-F263 HydrophobicContact CB-CE1 3.97Å; V191-F263 HydrophobicContact CG1-CD1 3.18Å; V191-F263 HydrophobicContact CG1-CE1 3.08Å; V191-F263 HydrophobicContact CG1-CG 4.22Å; V191-F263 HydrophobicContact CG1-CZ 4.05Å; V191-F263 HydrophobicContact CG2-CE1 3.9Å; V191-F263 HydrophobicContact CG2-CZ 4.46Å; V191-W292 HydrophobicContact CG2-CD2 4.23Å; V191-W292 HydrophobicContact CG2-CH2 4.47Å; V191-W292 HydrophobicContact CG2-CZ2 4.05Å
192	K	63.8	Low	60.3	Low	111 Å²	111	71 Å²	71	48%	0.483	41%	0.409	S	S	.	.	H	α-helix	trans	-58.2	-41.4	175.8	-71.2	176.9	176.7	170.3	0	111.5	P187 P188 T189 A195 S196	P187-K192 HydrophobicContact CB-CG 4.26Å; P187-K192 HydrophobicContact CG-CG 3.81Å; P187-K192 WeakPolarHBondContact O-CE 3.05Å; P188-K192 PolarHBondContact O-N 2.84Å; T189-K192 PolarHBondContact O-N 3.27Å; K192-A195 PolarHBondContact O-N 3.17Å; K192-S196 VanDerWaalsContact O-CB 3.28Å; K192-S196 WeakPolarHBondContact O-CB 3.47Å; K192-S196 PolarHBondContact O-N 2.91Å; K192-S196 PolarHBondContact O-OG 3.26Å
193	A	59.7	Low	59.1	Low	27 Å²	27	66.8 Å²	66.8	22%	0.223	38%	0.38	C	S	.	.	H	α-helix	trans	-61.2	-51.4	175.2	0	0	0	0	0	111	T189 W190 V191 A195 S196 V197 F221	T189-A193 WeakPolarHBondContact O-CB 3.42Å; T189-A193 PolarHBondContact O-N 3.42Å; W190-A193 PolarHBondContact O-N 2.69Å; V191-A193 VanDerWaalsContact C-N 3.27Å; V191-A193 PolarHBondContact O-N 2.92Å; A193-A195 PolarHBondContact O-N 2.91Å; A193-S196 PolarHBondContact O-N 2.87Å; A193-S196 PolarHBondContact O-OG 3.11Å; A193-V197 VanDerWaalsContact O-CG2 3.27Å; A193-V197 WeakPolarHBondContact O-CG2 3.29Å; A193-V197 PolarHBondContact O-N 3.44Å; A193-F221 HydrophobicContact CB-CD1 4.38Å; A193-F221 HydrophobicContact CB-CE1 4.36Å
194	V	58	Low	58.6	Low	28 Å²	28	61.8 Å²	61.8	17%	0.17	36%	0.357	C	S	.	.	H	α-helix	trans	-60.5	-42.8	177.6	175.1	0	0	0	0	111.7	W190 V191 V197 L198 P203 F263	W190-V194 HydrophobicContact CE3-CG2 4.29Å; W190-V194 VanDerWaalsContact O-CG2 3.29Å; W190-V194 WeakPolarHBondContact O-CG2 3.48Å; W190-V194 PolarHBondContact O-N 2.7Å; V191-V194 PolarHBondContact O-N 2.95Å; V194-V197 PolarHBondContact O-N 2.94Å; V194-L198 HydrophobicContact CG1-CD1 3.65Å; V194-L198 WeakPolarHBondContact O-CB 3.22Å; V194-L198 PolarHBondContact O-N 3.31Å; V194-P203 HydrophobicContact CG1-CB 3.86Å; V194-F263 HydrophobicContact CB-CE2 4.1Å; V194-F263 HydrophobicContact CB-CZ 4.43Å; V194-F263 HydrophobicContact CG1-CD2 4.04Å; V194-F263 HydrophobicContact CG1-CE2 3.35Å; V194-F263 HydrophobicContact CG1-CZ 4.02Å
195	A	58.2	Low	57.8	Low	34 Å²	34	60.4 Å²	60.4	28%	0.281	35%	0.354	S	S	.	.	H	α-helix	trans	-64.7	-43.4	177.9	0	0	0	0	0	112.8	V191 K192 A193 V197 L198 G199 F263	V191-A195 VanDerWaalsContact O-CB 3.27Å; V191-A195 WeakPolarHBondContact O-CB 3.49Å; V191-A195 PolarHBondContact O-N 3.43Å; K192-A195 PolarHBondContact O-N 3.17Å; A193-A195 PolarHBondContact O-N 2.91Å; A195-V197 PolarHBondContact O-N 3.41Å; A195-L198 PolarHBondContact O-N 2.89Å; A195-G199 PolarHBondContact O-N 3.41Å; A195-F263 HydrophobicContact CB-CB 3.59Å; A195-F263 HydrophobicContact CB-CD2 4.35Å; A195-F263 HydrophobicContact CB-CG 3.88Å
196	S	50.9	Low	57	Low	86 Å²	86	56.9 Å²	56.9	60%	0.601	35%	0.348	S	S	*	.	H	α-helix	trans	-63.1	-26.4	177.6	71.1	0	0	0	0	113	K192 A193	K192-S196 VanDerWaalsContact O-CB 3.28Å; K192-S196 WeakPolarHBondContact O-CB 3.47Å; K192-S196 PolarHBondContact O-N 2.91Å; K192-S196 PolarHBondContact O-OG 3.26Å; A193-S196 PolarHBondContact O-N 2.87Å; A193-S196 PolarHBondContact O-OG 3.11Å
197	V	48.2	Very low	56.4	Low	34 Å²	34	54 Å²	54	21%	0.206	32%	0.321	C	S	.	.	H	α-helix	trans	-93	-31.2	177.8	-174.9	0	0	0	0	111.6	A193 V194 A195 G199 R200 N202 P203 V206	A193-V197 VanDerWaalsContact O-CG2 3.27Å; A193-V197 WeakPolarHBondContact O-CG2 3.29Å; A193-V197 PolarHBondContact O-N 3.44Å; V194-V197 PolarHBondContact O-N 2.94Å; A195-V197 PolarHBondContact O-N 3.41Å; V197-G199 VanDerWaalsContact C-N 3.26Å; V197-G199 PolarHBondContact O-N 2.89Å; V197-R200 CarbonylContact O-C 3.28Å; V197-R200 VanDerWaalsContact O-C 3.28Å; V197-R200 WeakPolarHBondContact O-CA 3.37Å; V197-R200 PolarHBondContact O-N 3.36Å; V197-N202 WeakPolarHBondContact CG1-O 3.22Å; V197-P203 WeakPolarHBondContact CG1-O 3.35Å; V197-V206 HydrophobicContact CB-CG2 4.4Å; V197-V206 HydrophobicContact CG1-CG2 3.64Å; V197-V206 HydrophobicContact CG2-CG2 3.79Å
198	L	45.9	Very low	56.3	Low	9 Å²	9	52.2 Å²	52.2	5%	0.047	31%	0.309	C	S	.	.	H	α-helix	trans	-61.2	-31.6	174.3	-99.2	150.8	0	0	0	114	V194 A195 R200 P203 K257 M260 F263	V194-L198 HydrophobicContact CG1-CD1 3.65Å; V194-L198 WeakPolarHBondContact O-CB 3.22Å; V194-L198 PolarHBondContact O-N 3.31Å; A195-L198 PolarHBondContact O-N 2.89Å; L198-R200 PolarHBondContact O-N 3.12Å; L198-P203 HydrophobicContact CD1-CB 3.88Å; L198-P203 HydrophobicContact CD1-CG 3.85Å; L198-P203 HydrophobicContact CD2-CB 4.25Å; L198-P203 VanDerWaalsContact CD2-CD 3.46Å; L198-P203 HydrophobicContact CD2-CG 3.56Å; L198-P203 HydrophobicContact CG-CB 3.55Å; L198-P203 HydrophobicContact CG-CG 3.43Å; L198-P203 VanDerWaalsContact CG-CG 3.43Å; L198-K257 HydrophobicContact CD2-CB 4.4Å; L198-K257 HydrophobicContact CD2-CD 4.42Å; L198-K257 HydrophobicContact CD2-CG 4.28Å; L198-M260 HydrophobicContact CB-CE 4.34Å; L198-M260 HydrophobicContact CD1-CE 3.98Å; L198-M260 HydrophobicContact CD1-SD 4.45Å; L198-M260 HydrophobicContact CD2-CE 3.74Å; L198-M260 HydrophobicContact CG-CE 4.19Å; L198-F263 HydrophobicContact CD1-CD2 3.4Å; L198-F263 VanDerWaalsContact CD1-CD2 3.4Å; L198-F263 HydrophobicContact CD1-CE2 3.73Å
199	G	47	Very low	55.8	Low	72 Å²	72	54.8 Å²	54.8	74%	0.742	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-22.6	170.8	0	0	0	0	0	113.3	A195 V197	A195-G199 PolarHBondContact O-N 3.41Å; V197-G199 VanDerWaalsContact C-N 3.26Å; V197-G199 PolarHBondContact O-N 2.89Å
200	R	52.3	Low	55.4	Low	211 Å²	211	50.1 Å²	50.1	80%	0.796	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	86.4	174.3	-69.2	-175.5	176.9	165.8	-0	110.5	V197 L198 N202	V197-R200 CarbonylContact O-C 3.28Å; V197-R200 VanDerWaalsContact O-C 3.28Å; V197-R200 WeakPolarHBondContact O-CA 3.37Å; V197-R200 PolarHBondContact O-N 3.36Å; L198-R200 PolarHBondContact O-N 3.12Å; R200-N202 PolarHBondContact O-N 2.67Å
201	S	53.8	Low	55.4	Low	104 Å²	104	47.5 Å²	47.5	73%	0.727	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	-34.8	165.2	-48.1	0	0	0	0	119.8	K257	S201-K257 PolarHBondContact O-NZ 2.96Å
202	N	57.4	Low	55	Low	28 Å²	28	51 Å²	51	15%	0.15	31%	0.31	C	S	.	.			trans	-168.3	110.7	-174.6	-178.9	-17.8	0	0	0	112.6	V197 R200 L204 A205 R208 P250 E253	V197-N202 WeakPolarHBondContact CG1-O 3.22Å; R200-N202 PolarHBondContact O-N 2.67Å; N202-L204 PolarHBondContact O-N 3.39Å; N202-L204 PolarHBondContact OD1-N 3.27Å; N202-A205 HydrophobicContact CB-CB 3.67Å; N202-A205 WeakPolarHBondContact O-CB 3.11Å; N202-A205 PolarHBondContact O-N 3.2Å; N202-A205 VanDerWaalsContact O-N 3.16Å; N202-A205 PolarHBondContact OD1-N 2.97Å; N202-R208 VanDerWaalsContact CG-NH1 3.29Å; N202-R208 PolarHBondContact ND2-NH1 3.16Å; N202-R208 PolarHBondContact OD1-NH1 3.35Å; N202-P250 WeakPolarHBondContact ND2-CB 3.29Å; N202-P250 VanDerWaalsContact ND2-CG 3.35Å; N202-P250 WeakPolarHBondContact ND2-CG 3.41Å; N202-E253 PolarHBondContact OD1-OE2 3.44Å
203	P	47.8	Very low	54.6	Low	9 Å²	9	54 Å²	54	6%	0.058	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-45.9	-176.2	16.1	-24.9	0	0	0	114.5	F77 V194 V197 L198 A205	F77-P203 HydrophobicContact CZ-CG 4.38Å; V194-P203 HydrophobicContact CG1-CB 3.86Å; V197-P203 WeakPolarHBondContact CG1-O 3.35Å; L198-P203 HydrophobicContact CD1-CB 3.88Å; L198-P203 HydrophobicContact CD1-CG 3.85Å; L198-P203 HydrophobicContact CD2-CB 4.25Å; L198-P203 VanDerWaalsContact CD2-CD 3.46Å; L198-P203 HydrophobicContact CD2-CG 3.56Å; L198-P203 HydrophobicContact CG-CB 3.55Å; L198-P203 HydrophobicContact CG-CG 3.43Å; L198-P203 VanDerWaalsContact CG-CG 3.43Å; P203-A205 PolarHBondContact O-N 2.64Å
204	L	59.7	Low	54.7	Low	19 Å²	19	52.7 Å²	52.7	10%	0.099	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-0.2	-176.2	-59.4	166.3	0	0	0	110.1	F77 N202 V206 L207 R208 N246 E253	F77-L204 HydrophobicContact CE1-CD1 4.11Å; F77-L204 HydrophobicContact CZ-CD1 3.95Å; N202-L204 PolarHBondContact O-N 3.39Å; N202-L204 PolarHBondContact OD1-N 3.27Å; L204-V206 PolarHBondContact O-N 2.89Å; L204-L207 HydrophobicContact CD2-CD1 3.78Å; L204-L207 WeakPolarHBondContact O-CB 3.34Å; L204-L207 PolarHBondContact O-N 2.95Å; L204-R208 VanDerWaalsContact C-NH1 3.26Å; L204-R208 WeakPolarHBondContact O-CG 3.47Å; L204-R208 PolarHBondContact O-N 3.45Å; L204-N246 HydrophobicContact CB-CB 4.45Å; L204-N246 HydrophobicContact CD1-CB 3.77Å; L204-N246 WeakPolarHBondContact CD1-OD1 3.27Å; L204-N246 HydrophobicContact CD2-CB 4.12Å; L204-N246 HydrophobicContact CG-CB 4.32Å; L204-E253 WeakPolarHBondContact CB-OE2 3.32Å; L204-E253 HydrophobicContact CD1-CG 3.82Å; L204-E253 WeakPolarHBondContact CD1-OE1 3.43Å
205	A	54.8	Low	54.8	Low	25 Å²	25	52.7 Å²	52.7	21%	0.207	31%	0.308	C	S	.	.	H	α-helix	trans	-58.1	-28.6	168.2	0	0	0	0	0	112.1	N202 P203 L207 R208 V209	N202-A205 HydrophobicContact CB-CB 3.67Å; N202-A205 WeakPolarHBondContact O-CB 3.11Å; N202-A205 PolarHBondContact O-N 3.2Å; N202-A205 VanDerWaalsContact O-N 3.16Å; N202-A205 PolarHBondContact OD1-N 2.97Å; P203-A205 PolarHBondContact O-N 2.64Å; A205-L207 VanDerWaalsContact C-N 3.32Å; A205-L207 PolarHBondContact O-N 3.48Å; A205-R208 CarbonylContact O-C 3.51Å; A205-R208 WeakPolarHBondContact O-CB 3.39Å; A205-R208 PolarHBondContact O-N 3.13Å; A205-R208 VanDerWaalsContact O-N 3.1Å; A205-V209 VanDerWaalsContact O-CB 3.25Å; A205-V209 WeakPolarHBondContact O-CB 3.33Å; A205-V209 WeakPolarHBondContact O-CG2 3.5Å; A205-V209 PolarHBondContact O-N 3.34Å
206	V	53.9	Low	54.7	Low	63 Å²	63	53 Å²	53	38%	0.382	31%	0.314	S	S	.	.	H	α-helix	trans	-60.6	-42.2	173.5	168.4	0	0	0	0	111.3	V197 L204 R208 V209 A210	V197-V206 HydrophobicContact CB-CG2 4.4Å; V197-V206 HydrophobicContact CG1-CG2 3.64Å; V197-V206 HydrophobicContact CG2-CG2 3.79Å; L204-V206 PolarHBondContact O-N 2.89Å; V206-R208 VanDerWaalsContact C-N 3.29Å; V206-R208 PolarHBondContact O-N 2.98Å; V206-V209 PolarHBondContact O-N 3.2Å; V206-A210 WeakPolarHBondContact O-CB 3.41Å; V206-A210 PolarHBondContact O-N 2.94Å
207	L	55.1	Low	55.1	Low	19 Å²	19	50.7 Å²	50.7	10%	0.099	30%	0.295	C	S	.	.	H	α-helix	trans	-64.2	-36	174.3	-63.6	176.5	0	0	0	111.9	L204 A205 L217 V218 Y243 N246	L204-L207 HydrophobicContact CD2-CD1 3.78Å; L204-L207 WeakPolarHBondContact O-CB 3.34Å; L204-L207 PolarHBondContact O-N 2.95Å; A205-L207 VanDerWaalsContact C-N 3.32Å; A205-L207 PolarHBondContact O-N 3.48Å; L207-L217 HydrophobicContact CD2-CB 4.22Å; L207-V218 HydrophobicContact CD1-CG2 4.16Å; L207-V218 HydrophobicContact CD2-CG2 3.72Å; L207-Y243 HydrophobicContact CB-CD2 4.48Å; L207-Y243 HydrophobicContact CB-CE2 4.37Å; L207-N246 HydrophobicContact CD1-CB 4.01Å
208	R	63.6	Low	55.7	Low	5 Å²	5	49.4 Å²	49.4	2%	0.019	29%	0.287	C	S	.	.	H	α-helix	trans	-74.3	-31.8	178.1	-61.4	177.6	-178.1	100.7	3.4	113.9	R21 N202 L204 A205 V206 N246 A247 Q248 E253	R21-R208 WeakPolarHBondContact CG-O 3.42Å; R21-R208 PolarHBondContact NE-O 2.89Å; N202-R208 VanDerWaalsContact CG-NH1 3.29Å; N202-R208 PolarHBondContact ND2-NH1 3.16Å; N202-R208 PolarHBondContact OD1-NH1 3.35Å; L204-R208 VanDerWaalsContact C-NH1 3.26Å; L204-R208 WeakPolarHBondContact O-CG 3.47Å; L204-R208 PolarHBondContact O-N 3.45Å; A205-R208 CarbonylContact O-C 3.51Å; A205-R208 WeakPolarHBondContact O-CB 3.39Å; A205-R208 PolarHBondContact O-N 3.13Å; A205-R208 VanDerWaalsContact O-N 3.1Å; V206-R208 VanDerWaalsContact C-N 3.29Å; V206-R208 PolarHBondContact O-N 2.98Å; R208-N246 PolarHBondContact NH2-O 3.47Å; R208-N246 VanDerWaalsContact NH2-O 3.14Å; R208-A247 WeakPolarHBondContact CG-O 3.48Å; R208-Q248 PolarHBondContact NE-O 2.79Å; R208-Q248 PolarHBondContact NH2-O 3.35Å; R208-E253 IonicContact CZ-OE1 2.62Å; R208-E253 IonicContact CZ-OE2 3.07Å; R208-E253 IonicContact NH1-OE1 3.77Å; R208-E253 IonicContact NH1-OE2 3.57Å; R208-E253 PolarHBondContact NH1-OE2 2.71Å; R208-E253 IonicContact NH2-OE1 3.71Å; R208-E253 PolarHBondContact NH2-OE1 3.14Å; R208-E253 IonicContact NH2-OE2 2.77Å; R208-E253 PolarHBondContact NH2-OE2 3.06Å; R208-E253 VanDerWaalsContact NH2-OE2 3.07Å
209	V	55.5	Low	56.4	Low	95 Å²	95	51.7 Å²	51.7	58%	0.576	30%	0.297	S	S	*	.	H	α-helix	trans	-80.6	-36.9	179.5	169.1	0	0	0	0	109.5	W20 A205 V206 G211	W20-V209 PolarHBondContact NE1-O 3.03Å; A205-V209 VanDerWaalsContact O-CB 3.25Å; A205-V209 WeakPolarHBondContact O-CB 3.33Å; A205-V209 WeakPolarHBondContact O-CG2 3.5Å; A205-V209 PolarHBondContact O-N 3.34Å; V206-V209 PolarHBondContact O-N 3.2Å; V209-G211 PolarHBondContact O-N 3.34Å
210	A	54.5	Low	57	Low	17 Å²	17	57.9 Å²	57.9	14%	0.14	30%	0.298	C	S	.	.	S	Bend	trans	-71.2	-9.3	179.1	0	0	0	0	0	114.9	V206 W213 L217	V206-A210 WeakPolarHBondContact O-CB 3.41Å; V206-A210 PolarHBondContact O-N 2.94Å; A210-W213 VanDerWaalsContact O-CE3 3.23Å; A210-W213 PolarHBondContact O-N 2.74Å; A210-W213 VanDerWaalsContact O-N 3.1Å; A210-L217 HydrophobicContact CB-CD1 3.17Å; A210-L217 HydrophobicContact CB-CG 4.43Å
211	G	59.2	Low	57.2	Low	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	53.9	-125.1	167	0	0	0	0	0	113.8	W20 P22 V209 W213 G214 Y243	W20-G211 WeakPolarHBondContact O-CA 3.18Å; P22-G211 VanDerWaalsContact CD-O 3.28Å; P22-G211 WeakPolarHBondContact CD-O 3.37Å; P22-G211 WeakPolarHBondContact CG-O 3.24Å; V209-G211 PolarHBondContact O-N 3.34Å; G211-W213 PolarHBondContact O-N 3.04Å; G211-W213 VanDerWaalsContact O-N 3.12Å; G211-G214 PolarHBondContact O-N 3.44Å; G211-Y243 PolarHBondContact O-OH 2.87Å
212	P	56.1	Low	57.9	Low	76 Å²	76	48.7 Å²	48.7	49%	0.494	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-52.7	-27.5	179.4	-28.1	37.7	0	0	0	115.7	W20 G214	W20-P212 WeakPolarHBondContact O-CD 3.34Å; P212-G214 VanDerWaalsContact C-N 3.32Å
213	W	55.9	Low	58.4	Low	172 Å²	172	51.3 Å²	51.3	65%	0.652	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-87.6	-1.8	-178.5	-56.1	-70	0	0	0	113.4	W20 A210 G211 G216 L217	W20-W213 HydrophobicContact CH2-CZ3 4.21Å; A210-W213 VanDerWaalsContact O-CE3 3.23Å; A210-W213 PolarHBondContact O-N 2.74Å; A210-W213 VanDerWaalsContact O-N 3.1Å; G211-W213 PolarHBondContact O-N 3.04Å; G211-W213 VanDerWaalsContact O-N 3.12Å; W213-G216 PolarHBondContact O-N 3.01Å; W213-G216 VanDerWaalsContact O-N 3.17Å; W213-L217 WeakPolarHBondContact O-CG 3.44Å; W213-L217 PolarHBondContact O-N 3.02Å
214	G	60	Low	59.6	Low	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-52.8	-49.5	-177.3	0	0	0	0	0	114.9	G211 P212 G216 L217 V218 Y243	G211-G214 PolarHBondContact O-N 3.44Å; P212-G214 VanDerWaalsContact C-N 3.32Å; G214-G216 PolarHBondContact O-N 3.13Å; G214-L217 WeakPolarHBondContact O-CB 3.36Å; G214-L217 PolarHBondContact O-N 2.7Å; G214-L217 VanDerWaalsContact O-N 3.14Å; G214-V218 PolarHBondContact O-N 2.9Å; G214-Y243 VanDerWaalsContact CA-CE2 3.45Å
215	P	60.1	Low	60.4	Low	28 Å²	28	51.8 Å²	51.8	18%	0.182	27%	0.271	C	S	.	.	H	α-helix	trans	-58.9	-43.8	175.6	-26.3	35.4	0	0	0	113.1	L217 V218 Q219 Y243	P215-L217 VanDerWaalsContact C-N 3.29Å; P215-L217 PolarHBondContact O-N 3.48Å; P215-V218 PolarHBondContact O-N 2.96Å; P215-V218 VanDerWaalsContact O-N 3.16Å; P215-Q219 WeakPolarHBondContact O-CG 3.38Å; P215-Q219 PolarHBondContact O-N 3.41Å; P215-Y243 HydrophobicContact CG-CD1 3.86Å; P215-Y243 HydrophobicContact CG-CD2 4.46Å; P215-Y243 HydrophobicContact CG-CE1 4.25Å; P215-Y243 HydrophobicContact CG-CG 3.97Å
216	G	57.2	Low	61.5	Low	40 Å²	40	54.5 Å²	54.5	41%	0.412	28%	0.278	S	S	.	.	H	α-helix	trans	-64.5	-30.2	175.4	0	0	0	0	0	113.4	W213 G214 R220	W213-G216 PolarHBondContact O-N 3.01Å; W213-G216 VanDerWaalsContact O-N 3.17Å; G214-G216 PolarHBondContact O-N 3.13Å; G216-R220 WeakPolarHBondContact O-CB 3.36Å; G216-R220 PolarHBondContact O-N 3.15Å
217	L	58.4	Low	62.8	Low	39 Å²	39	60.3 Å²	60.3	20%	0.204	29%	0.293	C	S	.	.	H	α-helix	trans	-71.5	-39.9	171.6	-69.4	178.9	0	0	0	112.2	L207 A210 W213 G214 P215 Q219 R220 F221	L207-L217 HydrophobicContact CD2-CB 4.22Å; A210-L217 HydrophobicContact CB-CD1 3.17Å; A210-L217 HydrophobicContact CB-CG 4.43Å; W213-L217 WeakPolarHBondContact O-CG 3.44Å; W213-L217 PolarHBondContact O-N 3.02Å; G214-L217 WeakPolarHBondContact O-CB 3.36Å; G214-L217 PolarHBondContact O-N 2.7Å; G214-L217 VanDerWaalsContact O-N 3.14Å; P215-L217 VanDerWaalsContact C-N 3.29Å; P215-L217 PolarHBondContact O-N 3.48Å; L217-Q219 VanDerWaalsContact C-N 3.3Å; L217-Q219 PolarHBondContact O-N 3.23Å; L217-R220 PolarHBondContact O-N 3.46Å; L217-F221 HydrophobicContact CB-CD2 4.18Å; L217-F221 HydrophobicContact CB-CE2 4.28Å; L217-F221 HydrophobicContact CD2-CE2 3.98Å; L217-F221 WeakPolarHBondContact O-CB 3.42Å; L217-F221 WeakPolarHBondContact O-CD2 3.43Å; L217-F221 PolarHBondContact O-N 3.16Å
218	V	61	Low	64.2	Low	7 Å²	7	60.4 Å²	60.4	4%	0.042	29%	0.292	C	S	.	.	H	α-helix	trans	-58.3	-46.6	172.7	175.2	0	0	0	0	109.7	L207 G214 P215 R220 F221 R222 I242 Y243	L207-V218 HydrophobicContact CD1-CG2 4.16Å; L207-V218 HydrophobicContact CD2-CG2 3.72Å; G214-V218 PolarHBondContact O-N 2.9Å; P215-V218 PolarHBondContact O-N 2.96Å; P215-V218 VanDerWaalsContact O-N 3.16Å; V218-R220 VanDerWaalsContact C-N 3.34Å; V218-R220 PolarHBondContact O-N 3.01Å; V218-F221 PolarHBondContact O-N 2.98Å; V218-R222 CarbonylContact O-C 3.56Å; V218-R222 WeakPolarHBondContact O-CA 3.48Å; V218-R222 WeakPolarHBondContact O-CB 3.37Å; V218-R222 PolarHBondContact O-N 3.36Å; V218-I242 HydrophobicContact CG1-CB 4.26Å; V218-I242 HydrophobicContact CG1-CG2 3.95Å; V218-Y243 HydrophobicContact CG2-CD2 4.49Å
219	Q	61.3	Low	65.3	Low	56 Å²	56	60.2 Å²	60.2	26%	0.262	29%	0.292	S	S	.	.	H	α-helix	trans	-61.2	-40.9	176.4	-67.8	174.5	16.8	0	0	112.6	P215 L217 P223 D236	P215-Q219 WeakPolarHBondContact O-CG 3.38Å; P215-Q219 PolarHBondContact O-N 3.41Å; L217-Q219 VanDerWaalsContact C-N 3.3Å; L217-Q219 PolarHBondContact O-N 3.23Å; Q219-P223 VanDerWaalsContact O-CA 3.29Å; Q219-P223 WeakPolarHBondContact O-CA 3.45Å; Q219-P223 WeakPolarHBondContact O-CB 3.39Å; Q219-P223 VanDerWaalsContact O-CD 3.24Å; Q219-P223 WeakPolarHBondContact O-CD 3.43Å; Q219-P223 VanDerWaalsContact O-N 3.07Å; Q219-D236 PolarHBondContact NE2-OD1 3.35Å; Q219-D236 VanDerWaalsContact NE2-OD1 3.12Å; Q219-D236 PolarHBondContact NE2-OD2 3.17Å
220	R	58.4	Low	66.7	Low	203 Å²	203	57.9 Å²	57.9	77%	0.766	28%	0.283	S	S	*	.	H	α-helix	trans	-68.4	-37.9	178.9	-175.7	173.1	179.9	157.7	0.8	113	G216 L217 V218	G216-R220 WeakPolarHBondContact O-CB 3.36Å; G216-R220 PolarHBondContact O-N 3.15Å; L217-R220 PolarHBondContact O-N 3.46Å; V218-R220 VanDerWaalsContact C-N 3.34Å; V218-R220 PolarHBondContact O-N 3.01Å
221	F	58.4	Low	68	Low	92 Å²	92	64.6 Å²	64.6	40%	0.404	32%	0.316	S	S	.	.	H	α-helix	trans	-91.4	-24.8	-177	-71.9	-63.6	0	0	0	113.7	W190 A193 L217 V218 P223	W190-F221 WeakPolarHBondContact CB-O 3.43Å; A193-F221 HydrophobicContact CB-CD1 4.38Å; A193-F221 HydrophobicContact CB-CE1 4.36Å; L217-F221 HydrophobicContact CB-CD2 4.18Å; L217-F221 HydrophobicContact CB-CE2 4.28Å; L217-F221 HydrophobicContact CD2-CE2 3.98Å; L217-F221 WeakPolarHBondContact O-CB 3.42Å; L217-F221 WeakPolarHBondContact O-CD2 3.43Å; L217-F221 PolarHBondContact O-N 3.16Å; V218-F221 PolarHBondContact O-N 2.98Å; F221-P223 VanDerWaalsContact C-CD 3.43Å
222	R	67.6	Low	69	Low	30 Å²	30	69.1 Å²	69.1	11%	0.113	34%	0.336	C	S	.	.			trans	-133	53.5	-180	-64.9	-60.7	-55.3	-84.1	-1.2	112.3	V218 D224 F225 H321	V218-R222 CarbonylContact O-C 3.56Å; V218-R222 WeakPolarHBondContact O-CA 3.48Å; V218-R222 WeakPolarHBondContact O-CB 3.37Å; V218-R222 PolarHBondContact O-N 3.36Å; R222-D224 VanDerWaalsContact C-OD1 3.26Å; R222-D224 WeakPolarHBondContact CA-OD1 3.45Å; R222-D224 IonicContact CZ-OD1 2.91Å; R222-D224 IonicContact CZ-OD2 2.69Å; R222-D224 IonicContact NE-OD1 3.54Å; R222-D224 PolarHBondContact NE-OD1 2.82Å; R222-D224 IonicContact NE-OD2 3.5Å; R222-D224 PolarHBondContact NE-OD2 3.49Å; R222-D224 IonicContact NH2-OD1 3.38Å; R222-D224 IonicContact NH2-OD2 3.6Å; R222-D224 PolarHBondContact NH2-OD2 2.93Å; R222-D224 PolarHBondContact O-N 3.25Å; R222-D224 VanDerWaalsContact O-N 3.1Å; R222-F225 HydrophobicContact CB-CD2 4.07Å; R222-F225 HydrophobicContact CG-CD2 4.47Å; R222-F225 PolarHBondContact O-N 3.3Å; R222-F225 VanDerWaalsContact O-N 3.14Å; R222-H321 PolarHBondContact NH2-CE1 2.74Å
223	P	68.5	Low	70.5	Confident	82 Å²	82	66.4 Å²	66.4	53%	0.532	32%	0.316	S	S	.	.	H	α-helix	trans	-62.2	-20.3	176.1	27.8	-34.6	0	0	0	111.9	Q219 F221 F225 K226 R227	Q219-P223 VanDerWaalsContact O-CA 3.29Å; Q219-P223 WeakPolarHBondContact O-CA 3.45Å; Q219-P223 WeakPolarHBondContact O-CB 3.39Å; Q219-P223 VanDerWaalsContact O-CD 3.24Å; Q219-P223 WeakPolarHBondContact O-CD 3.43Å; Q219-P223 VanDerWaalsContact O-N 3.07Å; F221-P223 VanDerWaalsContact C-CD 3.43Å; P223-F225 VanDerWaalsContact C-N 3.27Å; P223-F225 PolarHBondContact O-N 3.14Å; P223-K226 PolarHBondContact O-N 2.93Å; P223-R227 PolarHBondContact O-N 3.38Å
224	D	72.6	Confident	71.7	Confident	32 Å²	32	67.3 Å²	67.3	17%	0.171	33%	0.328	C	S	.	.	H	α-helix	trans	-59.4	-35	175.8	65.7	-64.1	0	0	0	112.7	R222 R227 K228	R222-D224 VanDerWaalsContact C-OD1 3.26Å; R222-D224 WeakPolarHBondContact CA-OD1 3.45Å; R222-D224 IonicContact CZ-OD1 2.91Å; R222-D224 IonicContact CZ-OD2 2.69Å; R222-D224 IonicContact NE-OD1 3.54Å; R222-D224 PolarHBondContact NE-OD1 2.82Å; R222-D224 IonicContact NE-OD2 3.5Å; R222-D224 PolarHBondContact NE-OD2 3.49Å; R222-D224 IonicContact NH2-OD1 3.38Å; R222-D224 IonicContact NH2-OD2 3.6Å; R222-D224 PolarHBondContact NH2-OD2 2.93Å; R222-D224 PolarHBondContact O-N 3.25Å; R222-D224 VanDerWaalsContact O-N 3.1Å; D224-R227 PolarHBondContact O-N 3.13Å; D224-K228 VanDerWaalsContact O-CG 3.25Å; D224-K228 WeakPolarHBondContact O-CG 3.35Å; D224-K228 PolarHBondContact O-N 3.36Å; D224-K228 WeakPolarHBondContact OD2-CE 3.4Å; D224-K228 IonicContact OD2-NZ 3.7Å
225	F	75.6	Confident	72.9	Confident	6 Å²	6	70.9 Å²	70.9	3%	0.026	35%	0.347	C	S	.	.	H	α-helix	trans	-67.5	-41.1	179.4	-95.2	-63.5	0	0	0	112.4	L83 R222 P223 R227 K228 F229 I238 I242 H321	L83-F225 HydrophobicContact CD2-CE1 4.25Å; R222-F225 HydrophobicContact CB-CD2 4.07Å; R222-F225 HydrophobicContact CG-CD2 4.47Å; R222-F225 PolarHBondContact O-N 3.3Å; R222-F225 VanDerWaalsContact O-N 3.14Å; P223-F225 VanDerWaalsContact C-N 3.27Å; P223-F225 PolarHBondContact O-N 3.14Å; F225-R227 PolarHBondContact O-N 3.36Å; F225-K228 HydrophobicContact CD1-CD 4.35Å; F225-K228 PolarHBondContact O-N 2.82Å; F225-F229 HydrophobicContact CD1-CD2 4.06Å; F225-F229 AromaticContact CD1-CE2 3.62Å; F225-F229 HydrophobicContact CD1-CE2 3.62Å; F225-F229 AromaticContact CE1-CE2 3.92Å; F225-F229 HydrophobicContact CE1-CE2 3.92Å; F225-F229 WeakPolarHBondContact O-CD2 3.44Å; F225-F229 PolarHBondContact O-N 3.35Å; F225-I238 HydrophobicContact CB-CG2 4.34Å; F225-I238 HydrophobicContact CD1-CG2 4.36Å; F225-I242 HydrophobicContact CB-CD1 4.02Å; F225-I242 HydrophobicContact CD1-CD1 3.93Å; F225-I242 HydrophobicContact CD2-CD1 3.45Å; F225-I242 VanDerWaalsContact CD2-CD1 3.45Å; F225-I242 HydrophobicContact CE1-CD1 4.22Å; F225-I242 HydrophobicContact CE2-CD1 3.69Å; F225-I242 HydrophobicContact CG-CD1 3.57Å; F225-I242 HydrophobicContact CZ-CD1 4.11Å; F225-H321 AromaticContact CE1-CD2 3.94Å; F225-H321 AromaticContact CE2-NE2 3.96Å; F225-H321 AromaticContact CZ-CD2 3.44Å; F225-H321 VanDerWaalsContact CZ-CD2 3.44Å; F225-H321 WeakPolarHBondContact CZ-CD2 3.42Å; F225-H321 AromaticContact CZ-NE2 3.37Å; F225-H321 WeakPolarHBondContact CZ-NE2 3.48Å
226	K	78.1	Confident	74.1	Confident	83 Å²	83	71.9 Å²	71.9	36%	0.361	35%	0.351	S	S	.	.	H	α-helix	trans	-59.1	-41.4	174.9	-173.3	168.4	-176.5	164.9	0	111	P223 A230 D236	P223-K226 PolarHBondContact O-N 2.93Å; K226-A230 PolarHBondContact O-N 3.06Å; K226-A230 VanDerWaalsContact O-N 3.13Å; K226-D236 IonicContact NZ-OD1 3.72Å; K226-D236 PolarHBondContact NZ-OD1 3.49Å
227	R	82	Confident	75.7	Confident	184 Å²	184	70 Å²	70	69%	0.694	33%	0.332	S	S	*	.	H	α-helix	trans	-65.9	-43.1	177.4	-171.9	179.5	65.9	-176	2.7	113.2	P223 D224 F225 F229 A230	P223-R227 PolarHBondContact O-N 3.38Å; D224-R227 PolarHBondContact O-N 3.13Å; F225-R227 PolarHBondContact O-N 3.36Å; R227-F229 PolarHBondContact O-N 2.97Å; R227-A230 WeakPolarHBondContact O-CB 3.23Å; R227-A230 PolarHBondContact O-N 3.13Å
228	K	84.4	Confident	77.2	Confident	21 Å²	21	68.4 Å²	68.4	9%	0.091	32%	0.323	C	S	.	.	H	α-helix	trans	-62.7	-29.8	-178.7	-72.1	168.9	-155.3	-73.4	0	113.1	D224 F225 S319 H321 A324 D325	D224-K228 VanDerWaalsContact O-CG 3.25Å; D224-K228 WeakPolarHBondContact O-CG 3.35Å; D224-K228 PolarHBondContact O-N 3.36Å; D224-K228 WeakPolarHBondContact OD2-CE 3.4Å; D224-K228 IonicContact OD2-NZ 3.7Å; F225-K228 HydrophobicContact CD1-CD 4.35Å; F225-K228 PolarHBondContact O-N 2.82Å; K228-S319 PolarHBondContact NZ-OG 3.1Å; K228-H321 HydrophobicContact CD-CB 4.45Å; K228-A324 HydrophobicContact CB-CB 4.21Å; K228-A324 HydrophobicContact CD-CB 4.06Å; K228-D325 IonicContact NZ-OD1 3.52Å; K228-D325 PolarHBondContact NZ-OD1 2.69Å; K228-D325 IonicContact NZ-OD2 3.58Å; K228-D325 PolarHBondContact NZ-OD2 3.42Å
229	F	87.5	Confident	78.4	Confident	2 Å²	2	68.1 Å²	68.1	1%	0.009	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	12	-176.6	-68.4	-96.8	0	0	0	112.7	I85 L86 F225 R227 D231 F232 F233 I238 A324	I85-F229 HydrophobicContact CG2-CD1 3.98Å; I85-F229 HydrophobicContact CG2-CE1 3.72Å; L86-F229 HydrophobicContact CD1-CD1 3.77Å; L86-F229 HydrophobicContact CD1-CE1 3.65Å; L86-F229 HydrophobicContact CD1-CG 4.33Å; L86-F229 HydrophobicContact CD1-CZ 4.12Å; L86-F229 HydrophobicContact CD2-CD1 4.15Å; L86-F229 HydrophobicContact CD2-CE1 4.44Å; L86-F229 HydrophobicContact CG-CD1 3.87Å; L86-F229 HydrophobicContact CG-CE1 3.7Å; F225-F229 HydrophobicContact CD1-CD2 4.06Å; F225-F229 AromaticContact CD1-CE2 3.62Å; F225-F229 HydrophobicContact CD1-CE2 3.62Å; F225-F229 AromaticContact CE1-CE2 3.92Å; F225-F229 HydrophobicContact CE1-CE2 3.92Å; F225-F229 WeakPolarHBondContact O-CD2 3.44Å; F225-F229 PolarHBondContact O-N 3.35Å; R227-F229 PolarHBondContact O-N 2.97Å; F229-D231 PolarHBondContact O-N 3.17Å; F229-F232 PolarHBondContact O-N 2.95Å; F229-F233 HydrophobicContact CB-CD2 4.19Å; F229-F233 PolarHBondContact O-N 3.37Å; F229-I238 HydrophobicContact CB-CB 4.48Å; F229-I238 HydrophobicContact CB-CG1 3.72Å; F229-I238 HydrophobicContact CD1-CD1 3.92Å; F229-I238 HydrophobicContact CD1-CG1 3.99Å; F229-I238 HydrophobicContact CD2-CG1 4.35Å; F229-I238 HydrophobicContact CD2-CG2 4.01Å; F229-I238 HydrophobicContact CE1-CD1 4.3Å; F229-I238 HydrophobicContact CE2-CG2 4.4Å; F229-I238 HydrophobicContact CG-CD1 4.2Å; F229-I238 HydrophobicContact CG-CG1 3.77Å; F229-I238 HydrophobicContact CG-CG2 4.29Å; F229-A324 HydrophobicContact CE2-CB 3.73Å; F229-A324 HydrophobicContact CZ-CB 3.8Å
230	A	84.5	Confident	79.7	Confident	46 Å²	46	68.4 Å²	68.4	38%	0.38	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-30.7	-175.5	0	0	0	0	0	112.8	K226 R227 F232	K226-A230 PolarHBondContact O-N 3.06Å; K226-A230 VanDerWaalsContact O-N 3.13Å; R227-A230 WeakPolarHBondContact O-CB 3.23Å; R227-A230 PolarHBondContact O-N 3.13Å; A230-F232 PolarHBondContact O-N 3.43Å
231	D	80.3	Confident	81.3	Confident	158 Å²	158	58.8 Å²	58.8	85%	0.845	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-19.5	177	-62	-18.6	0	0	0	112.8	F229	F229-D231 PolarHBondContact O-N 3.17Å
232	F	81.9	Confident	82.7	Confident	94 Å²	94	55.2 Å²	55.2	41%	0.412	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-32.4	-180	-85.7	-110.6	0	0	0	112.9	C38 I85 L86 F229 A230	C38-F232 HydrophobicContact CB-CD1 4.14Å; C38-F232 HydrophobicContact CB-CE1 4.43Å; I85-F232 HydrophobicContact CG1-CD1 4.41Å; L86-F232 HydrophobicContact CD2-CB 4.34Å; L86-F232 HydrophobicContact CD2-CD1 4.11Å; L86-F232 HydrophobicContact CD2-CD2 3.09Å; L86-F232 HydrophobicContact CD2-CE1 4.18Å; L86-F232 HydrophobicContact CD2-CE2 3.19Å; L86-F232 HydrophobicContact CD2-CG 3.59Å; L86-F232 HydrophobicContact CD2-CZ 3.75Å; F229-F232 PolarHBondContact O-N 2.95Å; A230-F232 PolarHBondContact O-N 3.43Å
233	F	86.6	Confident	83.6	Confident	19 Å²	19	53.8 Å²	53.8	8%	0.083	27%	0.266	C	S	.	.			trans	-135.3	116.3	-177.8	-53	-77.8	0	0	0	110.2	I35 I85 F229 D235 T237 I238	I35-F233 HydrophobicContact CB-CZ 4.08Å; I35-F233 HydrophobicContact CG1-CE1 4.26Å; I35-F233 HydrophobicContact CG1-CE2 4.42Å; I35-F233 HydrophobicContact CG1-CZ 3.84Å; I35-F233 HydrophobicContact CG2-CZ 4.08Å; I85-F233 HydrophobicContact CG2-CE2 4.3Å; F229-F233 HydrophobicContact CB-CD2 4.19Å; F229-F233 PolarHBondContact O-N 3.37Å; F233-D235 VanDerWaalsContact C-N 3.28Å; F233-T237 HydrophobicContact CD1-CG2 3.78Å; F233-T237 HydrophobicContact CE1-CG2 3.86Å; F233-T237 HydrophobicContact CG-CG2 4.31Å; F233-T237 HydrophobicContact CZ-CG2 4.44Å; F233-I238 HydrophobicContact CD2-CD1 3.87Å; F233-I238 HydrophobicContact CD2-CG1 3.49Å; F233-I238 VanDerWaalsContact CD2-CG1 3.49Å; F233-I238 HydrophobicContact CE2-CD1 3.63Å; F233-I238 HydrophobicContact CE2-CG1 3.82Å; F233-I238 HydrophobicContact CG-CG1 4.3Å; F233-I238 HydrophobicContact CZ-CD1 4.45Å
234	E	81.5	Confident	84.6	Confident	192 Å²	192	50.4 Å²	50.4	90%	0.897	24%	0.243	S	C	*	.	S	Bend	trans	-78	-18	171.7	-61.6	-174	168.2	0	0	112.2
235	D	85.8	Confident	85.3	Confident	74 Å²	74	49 Å²	49	40%	0.396	24%	0.236	S	C	.	.	S	Bend	trans	-98.3	-165.4	-177.2	73.9	7	0	0	0	113	R34 F233 T237	R34-D235 IonicContact NH1-OD2 3.54Å; F233-D235 VanDerWaalsContact C-N 3.28Å; D235-T237 VanDerWaalsContact C-N 3.33Å; D235-T237 WeakPolarHBondContact OD1-CB 3.37Å; D235-T237 PolarHBondContact OD1-N 3.45Å; D235-T237 PolarHBondContact OD1-OG1 3.34Å; D235-T237 PolarHBondContact OD2-OG1 3.26Å; D235-T237 VanDerWaalsContact OD2-OG1 3.07Å
236	D	85.4	Confident	85.8	Confident	49 Å²	49	49 Å²	49	26%	0.262	24%	0.236	S	C	.	.	S	Bend	trans	-91.8	12.5	-177.7	-66.7	-32.3	0	0	0	113.7	Q219 K226 I238 S239 E240	Q219-D236 PolarHBondContact NE2-OD1 3.35Å; Q219-D236 VanDerWaalsContact NE2-OD1 3.12Å; Q219-D236 PolarHBondContact NE2-OD2 3.17Å; K226-D236 IonicContact NZ-OD1 3.72Å; K226-D236 PolarHBondContact NZ-OD1 3.49Å; D236-I238 VanDerWaalsContact C-N 3.33Å; D236-I238 PolarHBondContact O-N 3.25Å; D236-S239 WeakPolarHBondContact O-CA 3.44Å; D236-S239 WeakPolarHBondContact O-CB 3.48Å; D236-S239 PolarHBondContact O-N 3.26Å; D236-E240 HydrophobicContact CB-CG 4.47Å; D236-E240 PolarHBondContact O-N 3.26Å
237	T	90.2	Very high	86.1	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.012	22%	0.219	C	C	.	.	H	α-helix	trans	-48.5	-48.4	-173.3	-73.4	0	0	0	0	113.3	V31 R34 I35 F233 D235 S239 E240 Y241	V31-T237 HydrophobicContact CG1-CG2 4.04Å; V31-T237 VanDerWaalsContact CG1-O 3.25Å; V31-T237 WeakPolarHBondContact CG1-O 3.45Å; R34-T237 HydrophobicContact CB-CG2 4.44Å; R34-T237 PolarHBondContact NH1-OG1 2.92Å; I35-T237 HydrophobicContact CD1-CG2 4.13Å; I35-T237 HydrophobicContact CG1-CG2 3.54Å; F233-T237 HydrophobicContact CD1-CG2 3.78Å; F233-T237 HydrophobicContact CE1-CG2 3.86Å; F233-T237 HydrophobicContact CG-CG2 4.31Å; F233-T237 HydrophobicContact CZ-CG2 4.44Å; D235-T237 VanDerWaalsContact C-N 3.33Å; D235-T237 WeakPolarHBondContact OD1-CB 3.37Å; D235-T237 PolarHBondContact OD1-N 3.45Å; D235-T237 PolarHBondContact OD1-OG1 3.34Å; D235-T237 PolarHBondContact OD2-OG1 3.26Å; D235-T237 VanDerWaalsContact OD2-OG1 3.07Å; T237-S239 PolarHBondContact O-N 3.38Å; T237-E240 PolarHBondContact O-N 2.97Å; T237-Y241 WeakPolarHBondContact O-CB 3.37Å; T237-Y241 PolarHBondContact O-N 2.8Å
238	I	89.2	Confident	86.2	Confident	5 Å²	5	37.6 Å²	37.6	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-68.2	-36.6	179.9	-66.7	-62.4	0	0	0	112.2	I35 F225 F229 F233 D236 Y241 I242	I35-I238 HydrophobicContact CD1-CD1 3.75Å; I35-I238 HydrophobicContact CG1-CD1 4.1Å; F225-I238 HydrophobicContact CB-CG2 4.34Å; F225-I238 HydrophobicContact CD1-CG2 4.36Å; F229-I238 HydrophobicContact CB-CB 4.48Å; F229-I238 HydrophobicContact CB-CG1 3.72Å; F229-I238 HydrophobicContact CD1-CD1 3.92Å; F229-I238 HydrophobicContact CD1-CG1 3.99Å; F229-I238 HydrophobicContact CD2-CG1 4.35Å; F229-I238 HydrophobicContact CD2-CG2 4.01Å; F229-I238 HydrophobicContact CE1-CD1 4.3Å; F229-I238 HydrophobicContact CE2-CG2 4.4Å; F229-I238 HydrophobicContact CG-CD1 4.2Å; F229-I238 HydrophobicContact CG-CG1 3.77Å; F229-I238 HydrophobicContact CG-CG2 4.29Å; F233-I238 HydrophobicContact CD2-CD1 3.87Å; F233-I238 HydrophobicContact CD2-CG1 3.49Å; F233-I238 VanDerWaalsContact CD2-CG1 3.49Å; F233-I238 HydrophobicContact CE2-CD1 3.63Å; F233-I238 HydrophobicContact CE2-CG1 3.82Å; F233-I238 HydrophobicContact CG-CG1 4.3Å; F233-I238 HydrophobicContact CZ-CD1 4.45Å; D236-I238 VanDerWaalsContact C-N 3.33Å; D236-I238 PolarHBondContact O-N 3.25Å; I238-Y241 PolarHBondContact O-N 2.74Å; I238-I242 HydrophobicContact CG2-CD1 3.87Å; I238-I242 VanDerWaalsContact O-CG1 3.27Å; I238-I242 WeakPolarHBondContact O-CG1 3.09Å; I238-I242 PolarHBondContact O-N 2.84Å
239	S	86	Confident	86.3	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.007	21%	0.213	C	C	.	.	H	α-helix	trans	-68.7	-40.4	177.4	-62.6	0	0	0	0	111.2	D236 T237 Y241 Y243	D236-S239 WeakPolarHBondContact O-CA 3.44Å; D236-S239 WeakPolarHBondContact O-CB 3.48Å; D236-S239 PolarHBondContact O-N 3.26Å; T237-S239 PolarHBondContact O-N 3.38Å; S239-Y241 VanDerWaalsContact C-N 3.35Å; S239-Y243 WeakPolarHBondContact O-CB 3.49Å; S239-Y243 PolarHBondContact O-N 2.75Å
240	E	88.8	Confident	86.2	Confident	62 Å²	62	42.6 Å²	42.6	29%	0.29	22%	0.221	S	C	.	.	H	α-helix	trans	-62.7	-41.5	172.8	-69.1	-178.1	171.9	0	0	111.5	V31 R34 D236 T237 Y243 H244	V31-E240 HydrophobicContact CG1-CB 4.18Å; V31-E240 HydrophobicContact CG2-CB 4.19Å; R34-E240 IonicContact CZ-OE2 2.76Å; R34-E240 IonicContact NH1-OE2 3.14Å; R34-E240 IonicContact NH2-OE2 3.78Å; R34-E240 PolarHBondContact NH2-OE2 3.27Å; D236-E240 HydrophobicContact CB-CG 4.47Å; D236-E240 PolarHBondContact O-N 3.26Å; T237-E240 PolarHBondContact O-N 2.97Å; E240-Y243 WeakPolarHBondContact O-CB 3.36Å; E240-Y243 PolarHBondContact O-N 2.62Å; E240-H244 PolarHBondContact O-CD2 2.89Å; E240-H244 PolarHBondContact O-N 2.9Å
241	Y	91.8	Very high	86.7	Confident	1 Å²	1	40.7 Å²	40.7	0%	0.004	21%	0.205	C	C	.	.	H	α-helix	trans	-60.9	-51.9	177.6	-178.1	-115.8	0	0	0	111.1	L28 V31 E32 I35 V81 G82 L83 T237 I238 S239 Y243 H244 C245	L28-Y241 HydrophobicContact CD1-CD2 3.57Å; L28-Y241 HydrophobicContact CD1-CE2 3.52Å; V31-Y241 HydrophobicContact CG1-CD2 4.42Å; E32-Y241 HydrophobicContact CB-CD2 4.16Å; E32-Y241 HydrophobicContact CB-CE2 3.71Å; E32-Y241 HydrophobicContact CG-CE2 3.74Å; E32-Y241 WeakPolarHBondContact OE2-CE2 3.36Å; E32-Y241 PolarHBondContact OE2-OH 3.06Å; I35-Y241 HydrophobicContact CD1-CD1 3.89Å; I35-Y241 HydrophobicContact CD1-CD2 3.87Å; I35-Y241 HydrophobicContact CD1-CG 3.52Å; V81-Y241 PolarHBondContact N-OH 3.2Å; G82-Y241 PolarHBondContact N-OH 2.88Å; L83-Y241 HydrophobicContact CD2-CD1 4.36Å; L83-Y241 HydrophobicContact CD2-CE1 4.48Å; L83-Y241 HydrophobicContact CG-CE1 4.42Å; T237-Y241 WeakPolarHBondContact O-CB 3.37Å; T237-Y241 PolarHBondContact O-N 2.8Å; I238-Y241 PolarHBondContact O-N 2.74Å; S239-Y241 VanDerWaalsContact C-N 3.35Å; Y241-Y243 VanDerWaalsContact C-N 3.26Å; Y241-Y243 PolarHBondContact O-N 2.9Å; Y241-H244 PolarHBondContact O-N 3.38Å; Y241-C245 PolarHBondContact O-N 3.25Å; Y241-C245 PolarHBondContact O-SG 2.93Å; Y241-C245 VanDerWaalsContact O-SG 3.4Å
242	I	87.7	Confident	87.2	Confident	17 Å²	17	33.1 Å²	33.1	9%	0.087	17%	0.165	C	C	.	.	H	α-helix	trans	-57.9	-43.2	176.6	-68.4	166.3	0	0	0	110	L83 V218 F225 I238 N246	L83-I242 HydrophobicContact CD2-CD1 4.46Å; L83-I242 HydrophobicContact CD2-CG1 4.25Å; V218-I242 HydrophobicContact CG1-CB 4.26Å; V218-I242 HydrophobicContact CG1-CG2 3.95Å; F225-I242 HydrophobicContact CB-CD1 4.02Å; F225-I242 HydrophobicContact CD1-CD1 3.93Å; F225-I242 HydrophobicContact CD2-CD1 3.45Å; F225-I242 VanDerWaalsContact CD2-CD1 3.45Å; F225-I242 HydrophobicContact CE1-CD1 4.22Å; F225-I242 HydrophobicContact CE2-CD1 3.69Å; F225-I242 HydrophobicContact CG-CD1 3.57Å; F225-I242 HydrophobicContact CZ-CD1 4.11Å; I238-I242 HydrophobicContact CG2-CD1 3.87Å; I238-I242 VanDerWaalsContact O-CG1 3.27Å; I238-I242 WeakPolarHBondContact O-CG1 3.09Å; I238-I242 PolarHBondContact O-N 2.84Å; I242-N246 WeakPolarHBondContact O-CB 3.46Å; I242-N246 PolarHBondContact O-N 3.4Å; I242-N246 PolarHBondContact O-ND2 2.92Å
243	Y	86.4	Confident	87.6	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.2	-52.9	176.1	172.5	-103.6	0	0	0	111.8	P22 L207 G211 G214 P215 V218 S239 E240 Y241 C245 N246 A247	P22-Y243 VanDerWaalsContact CD-OH 3.24Å; P22-Y243 WeakPolarHBondContact CD-OH 3.46Å; P22-Y243 HydrophobicContact CG-CE1 4.06Å; P22-Y243 VanDerWaalsContact CG-OH 3.31Å; P22-Y243 WeakPolarHBondContact CG-OH 3.46Å; L207-Y243 HydrophobicContact CB-CD2 4.48Å; L207-Y243 HydrophobicContact CB-CE2 4.37Å; G211-Y243 PolarHBondContact O-OH 2.87Å; G214-Y243 VanDerWaalsContact CA-CE2 3.45Å; P215-Y243 HydrophobicContact CG-CD1 3.86Å; P215-Y243 HydrophobicContact CG-CD2 4.46Å; P215-Y243 HydrophobicContact CG-CE1 4.25Å; P215-Y243 HydrophobicContact CG-CG 3.97Å; V218-Y243 HydrophobicContact CG2-CD2 4.49Å; S239-Y243 WeakPolarHBondContact O-CB 3.49Å; S239-Y243 PolarHBondContact O-N 2.75Å; E240-Y243 WeakPolarHBondContact O-CB 3.36Å; E240-Y243 PolarHBondContact O-N 2.62Å; Y241-Y243 VanDerWaalsContact C-N 3.26Å; Y241-Y243 PolarHBondContact O-N 2.9Å; Y243-C245 VanDerWaalsContact C-N 3.34Å; Y243-C245 PolarHBondContact O-N 3.08Å; Y243-N246 CarbonylContact O-C 3.53Å; Y243-N246 PolarHBondContact O-N 3.31Å; Y243-A247 HydrophobicContact CD1-CB 4.47Å; Y243-A247 HydrophobicContact CD2-CB 4.24Å; Y243-A247 HydrophobicContact CE1-CB 4.02Å; Y243-A247 HydrophobicContact CE2-CB 3.75Å; Y243-A247 VanDerWaalsContact O-CB 3.23Å; Y243-A247 WeakPolarHBondContact O-CB 3.4Å; Y243-A247 PolarHBondContact O-N 3.19Å
244	H	89.3	Confident	87.7	Confident	11 Å²	11	31 Å²	31	5%	0.051	16%	0.161	C	C	.	.	H	α-helix	trans	-67.5	-30.1	-176.8	-71.3	-55.2	0	0	0	113.7	P22 T23 L28 E240 Y241 N246 Q248	P22-H244 PolarHBondContact O-CE1 2.54Å; P22-H244 VanDerWaalsContact O-CE1 3.25Å; T23-H244 PolarHBondContact OG1-ND1 3.4Å; L28-H244 HydrophobicContact CB-CB 3.94Å; L28-H244 HydrophobicContact CD1-CB 3.84Å; L28-H244 HydrophobicContact CG-CB 4.41Å; E240-H244 PolarHBondContact O-CD2 2.89Å; E240-H244 PolarHBondContact O-N 2.9Å; Y241-H244 PolarHBondContact O-N 3.38Å; H244-N246 VanDerWaalsContact C-N 3.28Å; H244-N246 PolarHBondContact O-N 3.05Å; H244-Q248 WeakPolarHBondContact O-CG 3.38Å; H244-Q248 PolarHBondContact O-NE2 2.9Å
245	C	88.6	Confident	88.3	Confident	3 Å²	3	21.9 Å²	21.9	2%	0.02	12%	0.118	C	C	.	.	H	α-helix	trans	-61.4	-39.3	170	-75.5	0	0	0	0	111.7	R110 Y241 Y243	R110-C245 PolarHBondContact NH2-O 2.69Å; Y241-C245 PolarHBondContact O-N 3.25Å; Y241-C245 PolarHBondContact O-SG 2.93Å; Y241-C245 VanDerWaalsContact O-SG 3.4Å; Y243-C245 VanDerWaalsContact C-N 3.34Å; Y243-C245 PolarHBondContact O-N 3.08Å
246	N	85.1	Confident	88.6	Confident	5 Å²	5	18.7 Å²	18.7	3%	0.027	10%	0.1	C	C	.	.	H	α-helix	trans	-102.3	-14.9	-167.9	-67.8	-66.1	0	0	0	114.3	G78 L204 L207 R208 I242 Y243 H244 Q248	G78-N246 WeakPolarHBondContact CA-OD1 3.46Å; G78-N246 PolarHBondContact O-ND2 3.38Å; G78-N246 PolarHBondContact O-OD1 3.35Å; L204-N246 HydrophobicContact CB-CB 4.45Å; L204-N246 HydrophobicContact CD1-CB 3.77Å; L204-N246 WeakPolarHBondContact CD1-OD1 3.27Å; L204-N246 HydrophobicContact CD2-CB 4.12Å; L204-N246 HydrophobicContact CG-CB 4.32Å; L207-N246 HydrophobicContact CD1-CB 4.01Å; R208-N246 PolarHBondContact NH2-O 3.47Å; R208-N246 VanDerWaalsContact NH2-O 3.14Å; I242-N246 WeakPolarHBondContact O-CB 3.46Å; I242-N246 PolarHBondContact O-N 3.4Å; I242-N246 PolarHBondContact O-ND2 2.92Å; Y243-N246 CarbonylContact O-C 3.53Å; Y243-N246 PolarHBondContact O-N 3.31Å; H244-N246 VanDerWaalsContact C-N 3.28Å; H244-N246 PolarHBondContact O-N 3.05Å; N246-Q248 VanDerWaalsContact C-N 3.32Å
247	A	85.4	Confident	88.8	Confident	1 Å²	1	20 Å²	20	1%	0.008	10%	0.104	C	C	.	.	S	Bend	trans	-80.9	-10.2	178.4	0	0	0	0	0	113.9	T23 R208 Y243	T23-A247 HydrophobicContact CG2-CB 3.71Å; R208-A247 WeakPolarHBondContact CG-O 3.48Å; Y243-A247 HydrophobicContact CD1-CB 4.47Å; Y243-A247 HydrophobicContact CD2-CB 4.24Å; Y243-A247 HydrophobicContact CE1-CB 4.02Å; Y243-A247 HydrophobicContact CE2-CB 3.75Å; Y243-A247 VanDerWaalsContact O-CB 3.23Å; Y243-A247 WeakPolarHBondContact O-CB 3.4Å; Y243-A247 PolarHBondContact O-N 3.19Å
248	Q	84.6	Confident	88.9	Confident	26 Å²	26	20.3 Å²	20.3	12%	0.121	11%	0.107	C	C	.	.	S	Bend	trans	-80.5	-175.5	-179.5	-75.9	-176.5	62.9	0	0	113.6	M25 G106 R110 R208 H244 N246	M25-Q248 PolarHBondContact SD-OE1 3.39Å; G106-Q248 PolarHBondContact O-NE2 3.12Å; R110-Q248 VanDerWaalsContact NH2-CD 3.26Å; R208-Q248 PolarHBondContact NE-O 2.79Å; R208-Q248 PolarHBondContact NH2-O 3.35Å; H244-Q248 WeakPolarHBondContact O-CG 3.38Å; H244-Q248 PolarHBondContact O-NE2 2.9Å; N246-Q248 VanDerWaalsContact C-N 3.32Å
249	N	85.3	Confident	89.1	Confident	102 Å²	102	20.2 Å²	20.2	55%	0.545	11%	0.106	S	C	.	.			trans	-58.5	127.5	-177.3	-172	48.1	0	0	0	113.2	R110 S251	R110-N249 WeakPolarHBondContact CD-O 3.39Å; R110-N249 PolarHBondContact NH1-O 2.55Å; N249-S251 PolarHBondContact O-N 2.85Å
250	P	86.8	Confident	89.3	Confident	27 Å²	27	20.9 Å²	20.9	18%	0.175	11%	0.109	C	C	.	.			trans	-74.3	50.3	-172.3	33	-42	0	0	0	115	N202 E253 T254	N202-P250 WeakPolarHBondContact ND2-CB 3.29Å; N202-P250 VanDerWaalsContact ND2-CG 3.35Å; N202-P250 WeakPolarHBondContact ND2-CG 3.41Å; P250-E253 HydrophobicContact CB-CB 3.98Å; P250-E253 WeakPolarHBondContact CB-OE2 3.29Å; P250-T254 WeakPolarHBondContact O-CB 3.43Å; P250-T254 PolarHBondContact O-N 3.12Å; P250-T254 PolarHBondContact O-OG1 2.93Å
251	S	93.1	Very high	89	Confident	5 Å²	5	22.7 Å²	22.7	4%	0.035	12%	0.118	C	C	.	.	H	α-helix	trans	-65.6	-65.9	179.9	161.9	0	0	0	0	111.7	G104 P111 F113 N249 E253 T254 A255	G104-S251 WeakPolarHBondContact CA-OG 3.25Å; P111-S251 VanDerWaalsContact O-CB 3.29Å; P111-S251 WeakPolarHBondContact O-CB 3.32Å; P111-S251 PolarHBondContact O-OG 3.26Å; F113-S251 WeakPolarHBondContact CD2-OG 3.48Å; F113-S251 WeakPolarHBondContact CE2-OG 3.27Å; N249-S251 PolarHBondContact O-N 2.85Å; S251-E253 PolarHBondContact O-N 3.43Å; S251-T254 WeakPolarHBondContact O-CB 3.11Å; S251-T254 PolarHBondContact O-N 3.11Å; S251-A255 PolarHBondContact O-N 2.85Å
252	G	91.9	Very high	88.3	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64.2	-25.9	179.6	0	0	0	0	0	113	G104 F105 A255 F256	G104-G252 PolarHBondContact O-N 3Å; F105-G252 VanDerWaalsContact CZ-C 3.43Å; G252-A255 PolarHBondContact O-N 3.27Å; G252-F256 WeakPolarHBondContact O-CB 3.34Å; G252-F256 PolarHBondContact O-N 3.4Å
253	E	89.9	Confident	87.3	Confident	7 Å²	7	24.7 Å²	24.7	3%	0.033	13%	0.129	C	C	.	.	H	α-helix	trans	-66.9	-39.7	172.6	-72	164.5	-133	0	0	113.4	F77 N202 L204 R208 P250 S251 A255 F256 K257	F77-E253 HydrophobicContact CE2-CB 4.43Å; F77-E253 HydrophobicContact CE2-CG 3.85Å; F77-E253 HydrophobicContact CZ-CG 3.87Å; N202-E253 PolarHBondContact OD1-OE2 3.44Å; L204-E253 WeakPolarHBondContact CB-OE2 3.32Å; L204-E253 HydrophobicContact CD1-CG 3.82Å; L204-E253 WeakPolarHBondContact CD1-OE1 3.43Å; R208-E253 IonicContact CZ-OE1 2.62Å; R208-E253 IonicContact CZ-OE2 3.07Å; R208-E253 IonicContact NH1-OE1 3.77Å; R208-E253 IonicContact NH1-OE2 3.57Å; R208-E253 PolarHBondContact NH1-OE2 2.71Å; R208-E253 IonicContact NH2-OE1 3.71Å; R208-E253 PolarHBondContact NH2-OE1 3.14Å; R208-E253 IonicContact NH2-OE2 2.77Å; R208-E253 PolarHBondContact NH2-OE2 3.06Å; R208-E253 VanDerWaalsContact NH2-OE2 3.07Å; P250-E253 HydrophobicContact CB-CB 3.98Å; P250-E253 WeakPolarHBondContact CB-OE2 3.29Å; S251-E253 PolarHBondContact O-N 3.43Å; E253-A255 VanDerWaalsContact C-N 3.3Å; E253-F256 PolarHBondContact O-N 2.73Å; E253-K257 WeakPolarHBondContact O-CB 3.47Å; E253-K257 PolarHBondContact O-N 3.37Å
254	T	89.6	Confident	86.7	Confident	61 Å²	61	25.1 Å²	25.1	37%	0.374	13%	0.134	S	C	.	.	H	α-helix	trans	-64.8	-41.1	176	-59.8	0	0	0	0	110	P250 S251 K257 A258	P250-T254 WeakPolarHBondContact O-CB 3.43Å; P250-T254 PolarHBondContact O-N 3.12Å; P250-T254 PolarHBondContact O-OG1 2.93Å; S251-T254 WeakPolarHBondContact O-CB 3.11Å; S251-T254 PolarHBondContact O-N 3.11Å; T254-K257 PolarHBondContact O-N 3.31Å; T254-A258 PolarHBondContact O-N 2.91Å
255	A	93.2	Very high	86.6	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.1	-47.7	175.2	0	0	0	0	0	112.2	F113 A120 F124 S251 G252 E253 K257 A258 M259	F113-A255 HydrophobicContact CB-CB 3.66Å; F113-A255 HydrophobicContact CD1-CB 3.42Å; F113-A255 VanDerWaalsContact CD1-CB 3.42Å; F113-A255 HydrophobicContact CD2-CB 3.99Å; F113-A255 HydrophobicContact CE1-CB 3.96Å; F113-A255 HydrophobicContact CE2-CB 4.48Å; F113-A255 HydrophobicContact CG-CB 3.43Å; F113-A255 VanDerWaalsContact CG-CB 3.43Å; F113-A255 HydrophobicContact CZ-CB 4.46Å; A120-A255 HydrophobicContact CB-CB 4.25Å; F124-A255 HydrophobicContact CD2-CB 4.39Å; F124-A255 HydrophobicContact CE2-CB 3.37Å; F124-A255 HydrophobicContact CZ-CB 3.69Å; S251-A255 PolarHBondContact O-N 2.85Å; G252-A255 PolarHBondContact O-N 3.27Å; E253-A255 VanDerWaalsContact C-N 3.3Å; A255-K257 VanDerWaalsContact C-N 3.28Å; A255-K257 PolarHBondContact O-N 2.79Å; A255-A258 WeakPolarHBondContact O-CB 3.12Å; A255-A258 PolarHBondContact O-N 2.91Å; A255-M259 WeakPolarHBondContact O-CG 3.29Å; A255-M259 PolarHBondContact O-N 3.39Å; A255-M259 VanDerWaalsContact O-N 3.09Å
256	F	92.1	Very high	86.8	Confident	7 Å²	7	26.6 Å²	26.6	3%	0.031	14%	0.139	C	C	.	.	H	α-helix	trans	-58	-41.5	175.4	-176.4	-108.7	0	0	0	112	F77 L147 W172 G252 E253 A258 M259 M260	F77-F256 HydrophobicContact CD2-CB 3.83Å; F77-F256 AromaticContact CD2-CD1 3.49Å; F77-F256 HydrophobicContact CD2-CD1 3.49Å; F77-F256 VanDerWaalsContact CD2-CD1 3.49Å; F77-F256 HydrophobicContact CD2-CD2 4.08Å; F77-F256 HydrophobicContact CD2-CE1 4.04Å; F77-F256 AromaticContact CD2-CG 3.51Å; F77-F256 HydrophobicContact CD2-CG 3.51Å; F77-F256 HydrophobicContact CE2-CB 3.81Å; F77-F256 AromaticContact CE2-CD1 3.48Å; F77-F256 HydrophobicContact CE2-CD1 3.48Å; F77-F256 VanDerWaalsContact CE2-CD1 3.48Å; F77-F256 HydrophobicContact CE2-CE1 4.27Å; F77-F256 AromaticContact CE2-CG 3.76Å; F77-F256 HydrophobicContact CE2-CG 3.76Å; F77-F256 HydrophobicContact CG-CD1 4.14Å; F77-F256 HydrophobicContact CG-CE1 4.23Å; F77-F256 HydrophobicContact CG-CG 4.38Å; F77-F256 HydrophobicContact CZ-CD1 4.14Å; L147-F256 HydrophobicContact CB-CE2 4.41Å; L147-F256 HydrophobicContact CD1-CD2 3.7Å; L147-F256 HydrophobicContact CD1-CE2 3.9Å; L147-F256 HydrophobicContact CD2-CD2 3.72Å; L147-F256 HydrophobicContact CD2-CE2 4.3Å; L147-F256 HydrophobicContact CD2-CG 4.44Å; L147-F256 HydrophobicContact CG-CD2 4.21Å; L147-F256 HydrophobicContact CG-CE2 4.42Å; W172-F256 AromaticContact CD2-CE2 3.83Å; W172-F256 HydrophobicContact CD2-CE2 3.83Å; W172-F256 HydrophobicContact CD2-CZ 4.05Å; W172-F256 AromaticContact CE2-CE2 3.89Å; W172-F256 AromaticContact CE2-CZ 3.76Å; W172-F256 AromaticContact CE3-CE2 3.74Å; W172-F256 HydrophobicContact CE3-CE2 3.74Å; W172-F256 HydrophobicContact CE3-CZ 4.41Å; W172-F256 HydrophobicContact CH2-CD2 4.45Å; W172-F256 AromaticContact CH2-CE2 3.76Å; W172-F256 HydrophobicContact CH2-CE2 3.76Å; W172-F256 HydrophobicContact CH2-CZ 4.22Å; W172-F256 AromaticContact CZ2-CE2 3.88Å; W172-F256 HydrophobicContact CZ2-CE2 3.88Å; W172-F256 AromaticContact CZ2-CZ 3.86Å; W172-F256 HydrophobicContact CZ2-CZ 3.86Å; W172-F256 HydrophobicContact CZ3-CD2 4.38Å; W172-F256 AromaticContact CZ3-CE2 3.7Å; W172-F256 HydrophobicContact CZ3-CE2 3.7Å; W172-F256 HydrophobicContact CZ3-CZ 4.48Å; G252-F256 WeakPolarHBondContact O-CB 3.34Å; G252-F256 PolarHBondContact O-N 3.4Å; E253-F256 PolarHBondContact O-N 2.73Å; F256-A258 VanDerWaalsContact C-N 3.35Å; F256-A258 PolarHBondContact O-N 3.37Å; F256-M259 HydrophobicContact CB-CE 4.49Å; F256-M259 HydrophobicContact CD2-CE 4.23Å; F256-M259 PolarHBondContact O-N 3.08Å; F256-M260 HydrophobicContact CE1-SD 4.06Å; F256-M260 WeakPolarHBondContact O-CB 3.17Å; F256-M260 PolarHBondContact O-N 2.91Å
257	K	89.6	Confident	87.2	Confident	78 Å²	78	32.7 Å²	32.7	34%	0.339	16%	0.162	S	C	.	.	H	α-helix	trans	-62.9	-39.2	174.8	-175.7	179.5	178.8	178.2	0	112.4	L198 S201 E253 T254 A255 M259 M260	L198-K257 HydrophobicContact CD2-CB 4.4Å; L198-K257 HydrophobicContact CD2-CD 4.42Å; L198-K257 HydrophobicContact CD2-CG 4.28Å; S201-K257 PolarHBondContact O-NZ 2.96Å; E253-K257 WeakPolarHBondContact O-CB 3.47Å; E253-K257 PolarHBondContact O-N 3.37Å; T254-K257 PolarHBondContact O-N 3.31Å; A255-K257 VanDerWaalsContact C-N 3.28Å; A255-K257 PolarHBondContact O-N 2.79Å; K257-M259 VanDerWaalsContact C-N 3.28Å; K257-M259 PolarHBondContact O-N 3.22Å; K257-M260 PolarHBondContact O-N 3.44Å
258	A	92.4	Very high	87.7	Confident	8 Å²	8	36 Å²	36	7%	0.066	17%	0.174	C	C	.	.	H	α-helix	trans	-63.1	-35.5	176.3	0	0	0	0	0	112.3	R115 A120 T254 A255 F256 M260 R267	R115-A258 VanDerWaalsContact O-CB 3.31Å; R115-A258 WeakPolarHBondContact O-CB 2.97Å; A120-A258 HydrophobicContact CB-CB 3.98Å; T254-A258 PolarHBondContact O-N 2.91Å; A255-A258 WeakPolarHBondContact O-CB 3.12Å; A255-A258 PolarHBondContact O-N 2.91Å; F256-A258 VanDerWaalsContact C-N 3.35Å; F256-A258 PolarHBondContact O-N 3.37Å; A258-M260 VanDerWaalsContact C-N 3.32Å; A258-R267 WeakPolarHBondContact O-CD 3.34Å; A258-R267 PolarHBondContact O-NE 3.38Å
259	M	94.1	Very high	88.3	Confident	2 Å²	2	35 Å²	35	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-78.4	-12.1	177.5	-64.4	-175.1	-63.8	0	0	114.1	A120 E121 F124 L147 F150 W172 A255 F256 K257 A266 R267	A120-M259 HydrophobicContact CB-CG 3.96Å; E121-M259 HydrophobicContact CB-CG 4.47Å; E121-M259 HydrophobicContact CB-SD 3.86Å; E121-M259 HydrophobicContact CG-SD 4.43Å; F124-M259 HydrophobicContact CD2-CE 3.86Å; F124-M259 HydrophobicContact CD2-SD 4.26Å; F124-M259 HydrophobicContact CE2-CE 3.59Å; F124-M259 HydrophobicContact CE2-SD 4.48Å; L147-M259 HydrophobicContact CD1-CE 3.89Å; F150-M259 HydrophobicContact CE1-SD 4.14Å; W172-M259 HydrophobicContact CH2-CB 4.49Å; A255-M259 WeakPolarHBondContact O-CG 3.29Å; A255-M259 PolarHBondContact O-N 3.39Å; A255-M259 VanDerWaalsContact O-N 3.09Å; F256-M259 HydrophobicContact CB-CE 4.49Å; F256-M259 HydrophobicContact CD2-CE 4.23Å; F256-M259 PolarHBondContact O-N 3.08Å; K257-M259 VanDerWaalsContact C-N 3.28Å; K257-M259 PolarHBondContact O-N 3.22Å; M259-A266 CarbonylContact O-C 3.57Å; M259-A266 WeakPolarHBondContact O-CA 3.22Å; M259-R267 PolarHBondContact O-N 2.91Å
260	M	89.5	Confident	88.8	Confident	16 Å²	16	30.1 Å²	30.1	8%	0.079	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	133.5	-172.1	-172.4	179.7	69.3	0	0	111.7	W172 L198 F256 K257 A258 S262 F263 R267	W172-M260 HydrophobicContact CH2-CB 4.43Å; W172-M260 HydrophobicContact CZ2-CB 4.21Å; W172-M260 HydrophobicContact CZ2-CG 4.07Å; L198-M260 HydrophobicContact CB-CE 4.34Å; L198-M260 HydrophobicContact CD1-CE 3.98Å; L198-M260 HydrophobicContact CD1-SD 4.45Å; L198-M260 HydrophobicContact CD2-CE 3.74Å; L198-M260 HydrophobicContact CG-CE 4.19Å; F256-M260 HydrophobicContact CE1-SD 4.06Å; F256-M260 WeakPolarHBondContact O-CB 3.17Å; F256-M260 PolarHBondContact O-N 2.91Å; K257-M260 PolarHBondContact O-N 3.44Å; A258-M260 VanDerWaalsContact C-N 3.32Å; M260-S262 VanDerWaalsContact CG-C 3.49Å; M260-S262 WeakPolarHBondContact CG-O 3.47Å; M260-F263 VanDerWaalsContact SD-CA 3.54Å; M260-F263 HydrophobicContact SD-CB 4.32Å; M260-F263 HydrophobicContact SD-CD2 4.15Å; M260-R267 PolarHBondContact O-NE 3.36Å
261	E	82.8	Confident	89.2	Confident	100 Å²	100	29.5 Å²	29.5	47%	0.467	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	-50.4	169.9	-169	-161.8	136.8	0	0	109.7	R177 W265 R267	R177-E261 WeakPolarHBondContact CD-OE1 3.32Å; R177-E261 IonicContact CZ-OE1 3.73Å; R177-E261 IonicContact NE-OE1 3.7Å; R177-E261 IonicContact NH1-OE1 2.78Å; R177-E261 PolarHBondContact NH1-OE1 3.5Å; E261-W265 PolarHBondContact N-O 2.72Å; E261-R267 HydrophobicContact CB-CG 4.03Å
262	S	76.4	Confident	89.3	Confident	27 Å²	27	34.3 Å²	34.3	19%	0.189	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	165.4	172	57.6	0	0	0	0	109.1	M260 G264 W265	M260-S262 VanDerWaalsContact CG-C 3.49Å; M260-S262 WeakPolarHBondContact CG-O 3.47Å; S262-G264 PolarHBondContact O-N 3.31Å; S262-W265 PolarHBondContact O-N 2.96Å; S262-W265 VanDerWaalsContact O-O 3.11Å
263	F	66.4	Low	89.6	Confident	32 Å²	32	35.5 Å²	35.5	14%	0.14	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	111.2	-173.8	-164.7	-80.7	0	0	0	111.9	V191 V194 A195 L198 M260 W265 W292	V191-F263 HydrophobicContact CB-CD1 4.45Å; V191-F263 HydrophobicContact CB-CE1 3.97Å; V191-F263 HydrophobicContact CG1-CD1 3.18Å; V191-F263 HydrophobicContact CG1-CE1 3.08Å; V191-F263 HydrophobicContact CG1-CG 4.22Å; V191-F263 HydrophobicContact CG1-CZ 4.05Å; V191-F263 HydrophobicContact CG2-CE1 3.9Å; V191-F263 HydrophobicContact CG2-CZ 4.46Å; V194-F263 HydrophobicContact CB-CE2 4.1Å; V194-F263 HydrophobicContact CB-CZ 4.43Å; V194-F263 HydrophobicContact CG1-CD2 4.04Å; V194-F263 HydrophobicContact CG1-CE2 3.35Å; V194-F263 HydrophobicContact CG1-CZ 4.02Å; A195-F263 HydrophobicContact CB-CB 3.59Å; A195-F263 HydrophobicContact CB-CD2 4.35Å; A195-F263 HydrophobicContact CB-CG 3.88Å; L198-F263 HydrophobicContact CD1-CD2 3.4Å; L198-F263 VanDerWaalsContact CD1-CD2 3.4Å; L198-F263 HydrophobicContact CD1-CE2 3.73Å; M260-F263 VanDerWaalsContact SD-CA 3.54Å; M260-F263 HydrophobicContact SD-CB 4.32Å; M260-F263 HydrophobicContact SD-CD2 4.15Å; F263-W265 VanDerWaalsContact O-CE3 3.31Å; F263-W265 WeakPolarHBondContact O-CZ3 3.46Å; F263-W292 HydrophobicContact CD1-CH2 4.36Å; F263-W292 AromaticContact CE1-CH2 3.72Å; F263-W292 HydrophobicContact CE1-CH2 3.72Å; F263-W292 HydrophobicContact CE1-CZ2 4.27Å; F263-W292 HydrophobicContact CE1-CZ3 4.33Å
264	G	74.4	Confident	89.9	Confident	9 Å²	9	35.1 Å²	35.1	9%	0.093	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	111.7	-16.9	-176	0	0	0	0	0	114.8	W172 S262	W172-G264 VanDerWaalsContact NE1-C 3.31Å; W172-G264 PolarHBondContact NE1-O 3.01Å; S262-G264 PolarHBondContact O-N 3.31Å
265	W	87.5	Confident	90.2	Very high	42 Å²	42	37.5 Å²	37.5	16%	0.159	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.5	-177.6	-61.9	-85.7	0	0	0	112.2	R177 I184 E261 S262 F263	R177-W265 HydrophobicContact CB-CB 4.23Å; R177-W265 HydrophobicContact CB-CD2 4.4Å; R177-W265 HydrophobicContact CB-CG 3.85Å; R177-W265 HydrophobicContact CG-CD2 4.05Å; R177-W265 HydrophobicContact CG-CG 4.02Å; I184-W265 HydrophobicContact CB-CH2 4.33Å; I184-W265 HydrophobicContact CB-CZ2 4.5Å; I184-W265 HydrophobicContact CD1-CH2 4.13Å; I184-W265 HydrophobicContact CD1-CZ2 4.4Å; I184-W265 HydrophobicContact CG1-CH2 4.02Å; I184-W265 HydrophobicContact CG1-CZ2 3.97Å; I184-W265 HydrophobicContact CG2-CH2 3.52Å; I184-W265 HydrophobicContact CG2-CZ2 4.07Å; E261-W265 PolarHBondContact N-O 2.72Å; S262-W265 PolarHBondContact O-N 2.96Å; S262-W265 VanDerWaalsContact O-O 3.11Å; F263-W265 VanDerWaalsContact O-CE3 3.31Å; F263-W265 WeakPolarHBondContact O-CZ3 3.46Å
266	A	92.7	Very high	90.4	Very high	3 Å²	3	42.1 Å²	42.1	3%	0.025	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	146.8	174.6	0	0	0	0	0	110.3	F150 W172 M259 R268	F150-A266 HydrophobicContact CD2-CB 4.36Å; F150-A266 HydrophobicContact CE2-CB 3.59Å; F150-A266 HydrophobicContact CZ-CB 4.22Å; W172-A266 HydrophobicContact CH2-CB 3.58Å; W172-A266 HydrophobicContact CZ2-CB 4.09Å; W172-A266 HydrophobicContact CZ3-CB 3.9Å; M259-A266 CarbonylContact O-C 3.57Å; M259-A266 WeakPolarHBondContact O-CA 3.22Å; A266-R268 PolarHBondContact O-N 2.74Å
267	R	94.3	Very high	90.6	Very high	133 Å²	133	41.9 Å²	41.9	50%	0.502	19%	0.193	S	C	.	.	S	Bend	trans	-65.1	-22.8	169.6	-65	-172.3	-178	-170.4	-6.8	112.6	P117 A258 M259 M260 E261	P117-R267 HydrophobicContact CB-CB 4.1Å; P117-R267 HydrophobicContact CG-CB 4.37Å; A258-R267 WeakPolarHBondContact O-CD 3.34Å; A258-R267 PolarHBondContact O-NE 3.38Å; M259-R267 PolarHBondContact O-N 2.91Å; M260-R267 PolarHBondContact O-NE 3.36Å; E261-R267 HydrophobicContact CB-CG 4.03Å
268	R	95.9	Very high	91	Very high	70 Å²	70	42.6 Å²	42.6	26%	0.264	19%	0.194	S	C	.	.	S	Bend	trans	-125.3	78.6	177.4	-60.3	-179.7	73.3	-140.1	10.5	108.5	P117 E118 E121 F150 A266 R273	P117-R268 HydrophobicContact CB-CG 4.43Å; E118-R268 IonicContact OE1-NE 2.65Å; E121-R268 IonicContact OE1-NH1 3.59Å; E121-R268 PolarHBondContact OE1-NH1 2.58Å; E121-R268 VanDerWaalsContact OE1-NH1 3.14Å; E121-R268 IonicContact OE2-CZ 3.7Å; E121-R268 IonicContact OE2-NH1 3.74Å; E121-R268 PolarHBondContact OE2-NH1 3.19Å; F150-R268 WeakPolarHBondContact CE2-O 3.28Å; A266-R268 PolarHBondContact O-N 2.74Å; R268-R273 VanDerWaalsContact CB-NH2 3.28Å; R268-R273 PolarHBondContact O-NH2 2.67Å
269	P	96	Very high	91.2	Very high	6 Å²	6	48.3 Å²	48.3	4%	0.039	22%	0.217	C	C	.	.			trans	-63.8	145.1	-173.7	24.2	-31.6	0	0	0	112.3	G173 F174 L176 E272 R273	G173-P269 CarbonylContact O-C 3.58Å; G173-P269 VanDerWaalsContact O-CA 3.29Å; G173-P269 WeakPolarHBondContact O-CA 3.24Å; F174-P269 WeakPolarHBondContact O-CB 3.06Å; L176-P269 HydrophobicContact CD2-CG 3.65Å; L176-P269 HydrophobicContact CG-CG 4.04Å; P269-E272 HydrophobicContact CG-CG 4Å; P269-E272 PolarHBondContact O-N 3.24Å; P269-R273 PolarHBondContact O-NE 3.13Å
270	M	96.8	Very high	91.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-72.8	-27.9	-178.8	-75	-61.9	154.3	0	0	113.7	F150 T153 S154 I157 G173 F174 E272 R273 I274	F150-M270 HydrophobicContact CD1-CE 3.97Å; F150-M270 HydrophobicContact CD2-CE 3.67Å; F150-M270 HydrophobicContact CD2-CG 3.79Å; F150-M270 HydrophobicContact CE1-CE 3.79Å; F150-M270 HydrophobicContact CE2-CE 3.48Å; F150-M270 VanDerWaalsContact CE2-CE 3.48Å; F150-M270 HydrophobicContact CE2-CG 4.06Å; F150-M270 HydrophobicContact CG-CE 3.93Å; F150-M270 HydrophobicContact CZ-CE 3.55Å; T153-M270 HydrophobicContact CG2-CB 4.36Å; T153-M270 HydrophobicContact CG2-CG 3.96Å; T153-M270 HydrophobicContact CG2-SD 3.43Å; T153-M270 WeakPolarHBondContact CG2-SD 3.41Å; S154-M270 WeakPolarHBondContact OG-CE 3.48Å; I157-M270 HydrophobicContact CD1-SD 4.46Å; G173-M270 PolarHBondContact O-N 3.09Å; F174-M270 HydrophobicContact CB-CB 4.41Å; F174-M270 HydrophobicContact CD1-CB 3.76Å; F174-M270 HydrophobicContact CD2-CB 3.71Å; F174-M270 HydrophobicContact CD2-CG 4.02Å; F174-M270 HydrophobicContact CE1-CB 3.84Å; F174-M270 HydrophobicContact CE2-CB 3.72Å; F174-M270 HydrophobicContact CE2-CG 3.76Å; F174-M270 HydrophobicContact CG-CB 3.71Å; F174-M270 HydrophobicContact CZ-CB 3.79Å; F174-M270 HydrophobicContact CZ-CG 4.09Å; M270-E272 PolarHBondContact O-N 3.1Å; M270-E272 VanDerWaalsContact O-N 3.13Å; M270-R273 VanDerWaalsContact CE-CZ 3.42Å; M270-R273 CarbonylContact O-C 3.56Å; M270-R273 PolarHBondContact O-N 3.12Å; M270-I274 WeakPolarHBondContact O-CB 3.29Å; M270-I274 PolarHBondContact O-N 3.02Å
271	L	94.7	Very high	91.8	Very high	13 Å²	13	52 Å²	52	7%	0.068	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-63.1	-19	176.1	-77.9	-178.3	0	0	0	113.6	F174 R273 T297 K300 V301 Q304	F174-L271 HydrophobicContact CB-CG 4.44Å; F174-L271 WeakPolarHBondContact O-CB 3.28Å; F174-L271 WeakPolarHBondContact O-CG 3.4Å; F174-L271 PolarHBondContact O-N 2.78Å; F174-L271 VanDerWaalsContact O-N 3.08Å; L271-R273 VanDerWaalsContact C-N 3.34Å; L271-T297 HydrophobicContact CD1-CG2 4.39Å; L271-T297 HydrophobicContact CD2-CG2 3.98Å; L271-T297 HydrophobicContact CG-CG2 4.17Å; L271-K300 HydrophobicContact CD1-CB 4.17Å; L271-K300 HydrophobicContact CD1-CD 3.65Å; L271-K300 HydrophobicContact CD2-CB 3.81Å; L271-V301 HydrophobicContact CD2-CG2 3.71Å; L271-Q304 PolarHBondContact O-NE2 3.05Å; L271-Q304 PolarHBondContact O-OE1 3.23Å
272	E	96.1	Very high	92.5	Very high	106 Å²	106	48.7 Å²	48.7	50%	0.495	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-84.8	-12.5	173.2	-66.2	-173	152.1	0	0	112.6	L176 P269 M270 H275	L176-E272 HydrophobicContact CD1-CG 4.24Å; L176-E272 HydrophobicContact CD2-CG 4.42Å; L176-E272 WeakPolarHBondContact CD2-OE1 3.23Å; L176-E272 HydrophobicContact CG-CG 4.39Å; P269-E272 HydrophobicContact CG-CG 4Å; P269-E272 PolarHBondContact O-N 3.24Å; M270-E272 PolarHBondContact O-N 3.1Å; M270-E272 VanDerWaalsContact O-N 3.13Å; E272-H275 PolarHBondContact O-CE1 2.79Å; E272-H275 PolarHBondContact O-ND1 3.23Å
273	R	96.9	Very high	93.6	Very high	25 Å²	25	47.4 Å²	47.4	9%	0.094	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-12.4	-168.1	-58.7	-171.1	-69.7	155.5	-17.3	113.8	E121 F150 I157 R268 P269 M270 L271 H275 L276	E121-R273 IonicContact OE1-CZ 2.74Å; E121-R273 IonicContact OE1-NH1 2.82Å; E121-R273 PolarHBondContact OE1-NH1 3.39Å; E121-R273 IonicContact OE1-NH2 3.51Å; E121-R273 PolarHBondContact OE1-NH2 3.14Å; E121-R273 IonicContact OE2-CZ 3.65Å; E121-R273 IonicContact OE2-NH1 2.77Å; E121-R273 PolarHBondContact OE2-NH1 3.05Å; E121-R273 IonicContact OE2-NH2 3.38Å; E121-R273 PolarHBondContact OE2-NH2 3.47Å; F150-R273 VanDerWaalsContact CZ-NH2 3.28Å; I157-R273 HydrophobicContact CD1-CB 3.97Å; R268-R273 VanDerWaalsContact CB-NH2 3.28Å; R268-R273 PolarHBondContact O-NH2 2.67Å; P269-R273 PolarHBondContact O-NE 3.13Å; M270-R273 VanDerWaalsContact CE-CZ 3.42Å; M270-R273 CarbonylContact O-C 3.56Å; M270-R273 PolarHBondContact O-N 3.12Å; L271-R273 VanDerWaalsContact C-N 3.34Å; R273-H275 PolarHBondContact O-N 2.78Å; R273-H275 VanDerWaalsContact O-N 3.16Å; R273-L276 HydrophobicContact CB-CD1 4.16Å; R273-L276 WeakPolarHBondContact O-CB 3.45Å; R273-L276 WeakPolarHBondContact O-CG 3.48Å; R273-L276 PolarHBondContact O-N 3.49Å
274	I	96.3	Very high	95.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-63.3	-25.1	-174.8	-161.6	71.6	0	0	0	113.1	T153 F174 M270 L276 I277 I283 V301 Q304 R305	T153-I274 HydrophobicContact CG2-CD1 3.43Å; T153-I274 VanDerWaalsContact CG2-CD1 3.43Å; F174-I274 HydrophobicContact CE1-CD1 4.04Å; F174-I274 HydrophobicContact CZ-CD1 4.43Å; M270-I274 WeakPolarHBondContact O-CB 3.29Å; M270-I274 PolarHBondContact O-N 3.02Å; I274-L276 PolarHBondContact O-N 3.07Å; I274-I277 HydrophobicContact CD1-CD1 3.68Å; I274-I277 PolarHBondContact O-N 3.2Å; I274-I283 HydrophobicContact CD1-CD1 4.13Å; I274-I283 HydrophobicContact CG1-CD1 4.32Å; I274-V301 HydrophobicContact CG1-CG1 3.81Å; I274-V301 HydrophobicContact CG1-CG2 4.1Å; I274-V301 HydrophobicContact CG2-CG2 4.45Å; I274-Q304 HydrophobicContact CG2-CB 4.34Å; I274-R305 PolarHBondContact O-NH1 3.44Å
275	H	95.4	Very high	96.3	Very high	111 Å²	111	45.4 Å²	45.4	51%	0.514	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-68.9	-16.7	173.8	69.9	-91.5	0	0	0	113	E272 R273 I277	E272-H275 PolarHBondContact O-CE1 2.79Å; E272-H275 PolarHBondContact O-ND1 3.23Å; R273-H275 PolarHBondContact O-N 2.78Å; R273-H275 VanDerWaalsContact O-N 3.16Å; H275-I277 VanDerWaalsContact C-N 3.33Å
276	L	97.4	Very high	96.8	Very high	96 Å²	96	43.4 Å²	43.4	50%	0.503	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-77.6	-17.9	177.1	-57.2	174.3	0	0	0	112.8	I157 R273 I274 R278	I157-L276 HydrophobicContact CD1-CB 4.41Å; I157-L276 HydrophobicContact CG1-CB 4.23Å; I157-L276 HydrophobicContact CG2-CB 3.85Å; I157-L276 HydrophobicContact CG2-CD1 4.38Å; R273-L276 HydrophobicContact CB-CD1 4.16Å; R273-L276 WeakPolarHBondContact O-CB 3.45Å; R273-L276 WeakPolarHBondContact O-CG 3.48Å; R273-L276 PolarHBondContact O-N 3.49Å; I274-L276 PolarHBondContact O-N 3.07Å; L276-R278 PolarHBondContact O-N 2.99Å
277	I	97.9	Very high	97	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	20%	0.196	C	C	.	.	S	Bend	trans	-64.9	135.9	172.3	-61.8	178.9	0	0	0	108.3	T153 I157 L166 I274 H275 K279 V281 I283 R305	T153-I277 HydrophobicContact CG2-CD1 3.8Å; I157-I277 HydrophobicContact CD1-CG1 4.45Å; I157-I277 HydrophobicContact CG1-CD1 4.39Å; I157-I277 HydrophobicContact CG1-CG1 3.48Å; I157-I277 VanDerWaalsContact CG1-CG1 3.48Å; L166-I277 HydrophobicContact CD2-CD1 3.85Å; I274-I277 HydrophobicContact CD1-CD1 3.68Å; I274-I277 PolarHBondContact O-N 3.2Å; H275-I277 VanDerWaalsContact C-N 3.33Å; I277-K279 PolarHBondContact O-N 3.01Å; I277-V281 HydrophobicContact CG2-CB 3.78Å; I277-V281 HydrophobicContact CG2-CG1 4.07Å; I277-V281 HydrophobicContact CG2-CG2 4.26Å; I277-I283 HydrophobicContact CD1-CD1 4.05Å; I277-R305 PolarHBondContact O-NH1 3.16Å
278	R	97.5	Very high	97	Very high	94 Å²	94	37 Å²	37	36%	0.355	17%	0.172	S	C	.	.			trans	-54.4	140	178.3	-159.3	176.1	59.2	-172.5	5.2	111.2	P160 D161 L276 D280 V281 R305	P160-R278 HydrophobicContact CB-CB 3.69Å; P160-R278 HydrophobicContact CG-CB 4.31Å; D161-R278 IonicContact OD1-CZ 3.14Å; D161-R278 IonicContact OD1-NH1 2.74Å; D161-R278 PolarHBondContact OD1-NH1 3.29Å; D161-R278 IonicContact OD1-NH2 3.61Å; D161-R278 IonicContact OD2-NH1 2.74Å; L276-R278 PolarHBondContact O-N 2.99Å; R278-D280 VanDerWaalsContact C-N 3.26Å; R278-D280 VanDerWaalsContact CB-OD1 3.32Å; R278-D280 WeakPolarHBondContact CB-OD1 3.17Å; R278-D280 VanDerWaalsContact CD-OD1 3.29Å; R278-D280 WeakPolarHBondContact CD-OD1 3.24Å; R278-D280 WeakPolarHBondContact CG-OD1 3.39Å; R278-D280 IonicContact CZ-OD1 2.74Å; R278-D280 IonicContact CZ-OD2 2.82Å; R278-D280 IonicContact NE-OD1 3.87Å; R278-D280 PolarHBondContact NE-OD1 3.05Å; R278-D280 IonicContact NE-OD2 3.54Å; R278-D280 PolarHBondContact NE-OD2 3.05Å; R278-D280 IonicContact NH2-OD1 3.36Å; R278-D280 IonicContact NH2-OD2 2.69Å; R278-D280 PolarHBondContact NH2-OD2 2.84Å; R278-D280 PolarHBondContact O-N 3.14Å; R278-V281 HydrophobicContact CB-CG2 4.22Å; R278-V281 PolarHBondContact O-N 3.04Å; R278-V281 VanDerWaalsContact O-N 3.16Å; R278-R305 PolarHBondContact O-NH2 3.05Å
279	K	96.8	Very high	96.9	Very high	128 Å²	128	35.3 Å²	35.3	56%	0.557	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-27.4	-168.6	-71	-173.6	174	-167.2	0	114.3	I277 D307 S308	I277-K279 PolarHBondContact O-N 3.01Å; K279-D307 HydrophobicContact CD-CB 4.19Å; K279-D307 IonicContact NZ-OD2 3.91Å; K279-D307 PolarHBondContact NZ-OD2 3.46Å; K279-S308 VanDerWaalsContact CA-OG 3.28Å; K279-S308 WeakPolarHBondContact CA-OG 3.42Å; K279-S308 WeakPolarHBondContact O-CB 3.44Å; K279-S308 PolarHBondContact O-OG 2.78Å
280	D	96.8	Very high	96.5	Very high	94 Å²	94	40.1 Å²	40.1	50%	0.503	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-15.2	178.9	66.2	-35	0	0	0	113.4	R278 P282	R278-D280 VanDerWaalsContact C-N 3.26Å; R278-D280 VanDerWaalsContact CB-OD1 3.32Å; R278-D280 WeakPolarHBondContact CB-OD1 3.17Å; R278-D280 VanDerWaalsContact CD-OD1 3.29Å; R278-D280 WeakPolarHBondContact CD-OD1 3.24Å; R278-D280 WeakPolarHBondContact CG-OD1 3.39Å; R278-D280 IonicContact CZ-OD1 2.74Å; R278-D280 IonicContact CZ-OD2 2.82Å; R278-D280 IonicContact NE-OD1 3.87Å; R278-D280 PolarHBondContact NE-OD1 3.05Å; R278-D280 IonicContact NE-OD2 3.54Å; R278-D280 PolarHBondContact NE-OD2 3.05Å; R278-D280 IonicContact NH2-OD1 3.36Å; R278-D280 IonicContact NH2-OD2 2.69Å; R278-D280 PolarHBondContact NH2-OD2 2.84Å; R278-D280 PolarHBondContact O-N 3.14Å; D280-P282 WeakPolarHBondContact O-CD 3.16Å
281	V	98.3	Very high	96.1	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.012	20%	0.2	C	C	.	.	S	Bend	trans	-75.2	111.7	175.5	-179.8	0	0	0	0	108.6	P160 V163 L166 I277 R278 R305	P160-V281 HydrophobicContact CB-CG2 4.22Å; V163-V281 HydrophobicContact CB-CG1 4.36Å; V163-V281 HydrophobicContact CG1-CG1 3.97Å; L166-V281 HydrophobicContact CB-CG1 4.42Å; I277-V281 HydrophobicContact CG2-CB 3.78Å; I277-V281 HydrophobicContact CG2-CG1 4.07Å; I277-V281 HydrophobicContact CG2-CG2 4.26Å; R278-V281 HydrophobicContact CB-CG2 4.22Å; R278-V281 PolarHBondContact O-N 3.04Å; R278-V281 VanDerWaalsContact O-N 3.16Å; V281-R305 PolarHBondContact O-NH2 2.72Å
282	P	98.4	Very high	95.5	Very high	29 Å²	29	42.2 Å²	42.2	19%	0.188	21%	0.205	C	C	.	.			trans	-71.5	145.5	178.2	-15.4	32.7	0	0	0	110.8	K164 H165 L166 D280 Y309	K164-P282 WeakPolarHBondContact O-CD 3.48Å; H165-P282 WeakPolarHBondContact ND1-CB 3.31Å; L166-P282 PolarHBondContact N-O 3.06Å; D280-P282 WeakPolarHBondContact O-CD 3.16Å; P282-Y309 HydrophobicContact CB-CD1 3.65Å; P282-Y309 HydrophobicContact CB-CG 4.17Å
283	I	98.7	Very high	94.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	130.4	178.4	-52.9	-177.7	0	0	0	109.8	L166 L168 I274 I277 M285 V301 Y309 V310 R311	L166-I283 HydrophobicContact CB-CG1 4.39Å; L166-I283 HydrophobicContact CD2-CD1 4.44Å; L166-I283 HydrophobicContact CD2-CG1 4.38Å; L166-I283 CarbonylContact O-C 3.52Å; L166-I283 WeakPolarHBondContact O-CA 3.11Å; L168-I283 HydrophobicContact CD1-CG2 3.88Å; L168-I283 HydrophobicContact CG-CG2 4.45Å; I274-I283 HydrophobicContact CD1-CD1 4.13Å; I274-I283 HydrophobicContact CG1-CD1 4.32Å; I277-I283 HydrophobicContact CD1-CD1 4.05Å; I283-M285 HydrophobicContact CG2-CG 4.42Å; I283-M285 HydrophobicContact CG2-SD 4.06Å; I283-V301 HydrophobicContact CD1-CG1 4.48Å; I283-Y309 PolarHBondContact N-O 3.45Å; I283-V310 HydrophobicContact CB-CG2 4.48Å; I283-V310 CarbonylContact O-C 3.5Å; I283-V310 VanDerWaalsContact O-CA 3.27Å; I283-V310 WeakPolarHBondContact O-CA 3.4Å; I283-R311 PolarHBondContact O-N 3.09Å
284	T	98.7	Very high	94.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	122.6	165.2	-57.9	0	0	0	0	110.1	H165 L166 I167 L168 I286 R311 M313 I337	H165-T284 PolarHBondContact NE2-OG1 2.9Å; L166-T284 PolarHBondContact O-N 3.24Å; I167-T284 WeakPolarHBondContact CA-O 3.45Å; L168-T284 PolarHBondContact N-O 2.88Å; T284-I286 HydrophobicContact CG2-CG1 3.99Å; T284-R311 CarbonylContact C-O 3.14Å; T284-R311 WeakPolarHBondContact CA-O 3.12Å; T284-R311 HydrophobicContact CG2-CB 4.02Å; T284-R311 HydrophobicContact CG2-CG 4.15Å; T284-M313 HydrophobicContact CG2-SD 4.32Å; T284-I337 HydrophobicContact CG2-CD1 3.6Å; T284-I337 HydrophobicContact CG2-CG1 4.38Å
285	M	98.3	Very high	93.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	125.4	172.8	-52	-74.2	-64.3	0	0	108.6	L168 P171 F174 I283 Y287 T297 R311 M313	L168-M285 HydrophobicContact CB-CE 4.45Å; L168-M285 HydrophobicContact CB-SD 3.78Å; L168-M285 HydrophobicContact CD1-CE 4.34Å; L168-M285 HydrophobicContact CD1-SD 3.36Å; L168-M285 WeakPolarHBondContact CD1-SD 3.47Å; L168-M285 HydrophobicContact CG-SD 4.13Å; L168-M285 WeakPolarHBondContact O-CA 3.44Å; P171-M285 HydrophobicContact CG-CE 3.67Å; F174-M285 HydrophobicContact CD1-CE 4.31Å; F174-M285 HydrophobicContact CE1-CE 4.08Å; F174-M285 HydrophobicContact CE1-SD 4.45Å; I283-M285 HydrophobicContact CG2-CG 4.42Å; I283-M285 HydrophobicContact CG2-SD 4.06Å; M285-Y287 HydrophobicContact CB-CD2 4.43Å; M285-Y287 HydrophobicContact CB-CE2 3.82Å; M285-Y287 HydrophobicContact CE-CE2 4.06Å; M285-Y287 WeakPolarHBondContact CE-OH 3.22Å; M285-T297 HydrophobicContact CE-CG2 4.08Å; M285-R311 PolarHBondContact N-O 3.33Å; M285-M313 WeakPolarHBondContact O-CG 3.34Å; M285-M313 PolarHBondContact O-N 3.06Å
286	I	98.3	Very high	93.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	119.8	177.8	-53.2	177.8	0	0	0	107.9	I167 L168 V169 D170 T284 M313 I315 V322 F330 V333 V334 I337	I167-I286 HydrophobicContact CG2-CD1 3.73Å; I167-I286 HydrophobicContact CG2-CG1 4.37Å; L168-I286 PolarHBondContact O-N 3.26Å; V169-I286 CarbonylContact C-O 3.48Å; V169-I286 WeakPolarHBondContact CA-O 3.45Å; D170-I286 PolarHBondContact N-O 2.78Å; T284-I286 HydrophobicContact CG2-CG1 3.99Å; I286-M313 HydrophobicContact CG1-CG 4.2Å; I286-M313 HydrophobicContact CG1-SD 4.4Å; I286-I315 HydrophobicContact CG2-CD1 3.8Å; I286-I315 HydrophobicContact CG2-CG1 3.93Å; I286-V322 HydrophobicContact CG2-CG1 4.22Å; I286-F330 HydrophobicContact CD1-CE2 4.42Å; I286-V333 HydrophobicContact CD1-CG1 3.86Å; I286-V334 HydrophobicContact CD1-CG2 4.32Å; I286-I337 HydrophobicContact CD1-CD1 4.16Å
287	Y	97.3	Very high	93	Very high	1 Å²	1	31.7 Å²	31.7	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	151.6	177.1	-65.4	-78.6	0	0	0	111.4	D170 P171 M285 I293 T295 T297 G298 D312 M313 E314 I315	D170-Y287 WeakPolarHBondContact OD2-CA 3.32Å; P171-Y287 HydrophobicContact CG-CE1 4.46Å; M285-Y287 HydrophobicContact CB-CD2 4.43Å; M285-Y287 HydrophobicContact CB-CE2 3.82Å; M285-Y287 HydrophobicContact CE-CE2 4.06Å; M285-Y287 WeakPolarHBondContact CE-OH 3.22Å; Y287-I293 HydrophobicContact CE1-CG2 4.11Å; Y287-T295 HydrophobicContact CD1-CG2 3.79Å; Y287-T295 HydrophobicContact CD2-CG2 4.36Å; Y287-T295 HydrophobicContact CE1-CG2 4.42Å; Y287-T295 HydrophobicContact CG-CG2 3.75Å; Y287-T297 WeakPolarHBondContact OH-CB 3.47Å; Y287-G298 PolarHBondContact OH-N 3.33Å; Y287-D312 WeakPolarHBondContact CE2-OD1 3.46Å; Y287-M313 PolarHBondContact N-O 3.49Å; Y287-E314 CarbonylContact O-C 3.54Å; Y287-E314 WeakPolarHBondContact O-CA 3.41Å; Y287-I315 PolarHBondContact O-N 3.33Å
288	G	95.4	Very high	92.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	137	163.4	0	0	0	0	0	111.7	D170 N290 T291 A318	D170-G288 PolarHBondContact OD2-N 2.92Å; G288-N290 PolarHBondContact O-N 2.75Å; G288-N290 VanDerWaalsContact O-N 3.13Å; G288-T291 VanDerWaalsContact O-CB 3.24Å; G288-T291 WeakPolarHBondContact O-CB 3.35Å; G288-T291 WeakPolarHBondContact O-CG2 3.38Å; G288-T291 PolarHBondContact O-N 2.84Å; G288-A318 CarbonylContact C-O 3.55Å; G288-A318 WeakPolarHBondContact CA-O 3.31Å
289	S	92.9	Very high	92.4	Very high	34 Å²	34	34 Å²	34	24%	0.238	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.3	180	67.6	0	0	0	0	113.6	I315 E316 G317 A318	S289-I315 PolarHBondContact N-O 3.49Å; S289-E316 WeakPolarHBondContact OG-CA 3.38Å; S289-E316 PolarHBondContact OG-OE1 2.84Å; S289-G317 PolarHBondContact OG-N 2.97Å; S289-A318 PolarHBondContact N-O 2.96Å; S289-A318 VanDerWaalsContact N-O 3.16Å
290	N	88.4	Confident	92.4	Very high	108 Å²	108	31.7 Å²	31.7	58%	0.578	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.3	20.8	177.4	-61.1	-52.1	0	0	0	113	G288 A318	G288-N290 PolarHBondContact O-N 2.75Å; G288-N290 VanDerWaalsContact O-N 3.13Å; N290-A318 WeakPolarHBondContact CA-O 3.49Å; N290-A318 WeakPolarHBondContact CB-O 3.27Å; N290-A318 PolarHBondContact N-O 3.47Å
291	T	87.9	Confident	92.3	Very high	15 Å²	15	27.2 Å²	27.2	9%	0.092	14%	0.141	C	C	.	.			trans	-72.9	151.5	178.5	-165.9	0	0	0	0	112.4	D170 G288 I293 T295	D170-T291 WeakPolarHBondContact OD1-CB 3.39Å; D170-T291 WeakPolarHBondContact OD1-CG2 3.36Å; D170-T291 PolarHBondContact OD1-OG1 3.34Å; G288-T291 VanDerWaalsContact O-CB 3.24Å; G288-T291 WeakPolarHBondContact O-CB 3.35Å; G288-T291 WeakPolarHBondContact O-CG2 3.38Å; G288-T291 PolarHBondContact O-N 2.84Å; T291-I293 HydrophobicContact CG2-CB 4.24Å; T291-I293 PolarHBondContact OG1-N 3.28Å; T291-T295 HydrophobicContact CG2-CG2 3.44Å; T291-T295 VanDerWaalsContact CG2-CG2 3.44Å
292	W	81.3	Confident	92.2	Very high	41 Å²	41	32.9 Å²	32.9	16%	0.155	17%	0.165	C	C	.	.	S	Bend	trans	-90.8	-9.5	172.4	64	-82.4	0	0	0	112.4	P188 W190 V191 F263 H320	P188-W292 HydrophobicContact CG-CB 3.88Å; P188-W292 HydrophobicContact CG-CG 3.83Å; W190-W292 HydrophobicContact CH2-CZ2 4.38Å; W190-W292 AromaticContact CZ2-NE1 3.75Å; V191-W292 HydrophobicContact CG2-CD2 4.23Å; V191-W292 HydrophobicContact CG2-CH2 4.47Å; V191-W292 HydrophobicContact CG2-CZ2 4.05Å; F263-W292 HydrophobicContact CD1-CH2 4.36Å; F263-W292 AromaticContact CE1-CH2 3.72Å; F263-W292 HydrophobicContact CE1-CH2 3.72Å; F263-W292 HydrophobicContact CE1-CZ2 4.27Å; F263-W292 HydrophobicContact CE1-CZ3 4.33Å; W292-H320 AromaticContact NE1-CG 3.47Å; W292-H320 AromaticContact NE1-ND1 3.55Å
293	I	83.6	Confident	92.1	Very high	10 Å²	10	38.2 Å²	38.2	5%	0.051	19%	0.189	C	C	.	.	S	Bend	trans	-69.8	150.7	174.8	-61.9	-64.6	0	0	0	109.9	R185 Y287 T291 T295 H320	R185-I293 PolarHBondContact NH1-O 2.85Å; Y287-I293 HydrophobicContact CE1-CG2 4.11Å; T291-I293 HydrophobicContact CG2-CB 4.24Å; T291-I293 PolarHBondContact OG1-N 3.28Å; I293-T295 PolarHBondContact O-N 2.79Å; I293-T295 VanDerWaalsContact O-N 3.13Å; I293-H320 VanDerWaalsContact CG1-ND1 3.29Å; I293-H320 WeakPolarHBondContact CG1-ND1 3.39Å
294	D	84.4	Confident	91.9	Very high	44 Å²	44	42.1 Å²	42.1	24%	0.235	21%	0.207	C	C	.	.			trans	-73.8	99.7	173.7	179.4	10.1	0	0	0	110.9	P175 S296 T297 K300	P175-D294 HydrophobicContact CB-CB 4.49Å; P175-D294 HydrophobicContact CG-CB 4.19Å; D294-S296 PolarHBondContact O-N 2.95Å; D294-S296 WeakPolarHBondContact OD1-CB 3.45Å; D294-S296 PolarHBondContact OD1-N 3.14Å; D294-S296 PolarHBondContact OD1-OG 3.24Å; D294-S296 PolarHBondContact OD2-OG 2.76Å; D294-T297 VanDerWaalsContact O-CB 3.31Å; D294-T297 WeakPolarHBondContact O-CB 3.14Å; D294-T297 PolarHBondContact O-N 2.87Å; D294-T297 PolarHBondContact O-OG1 2.88Å; D294-K300 IonicContact OD2-NZ 3.02Å
295	T	85.8	Confident	91.8	Very high	23 Å²	23	42.6 Å²	42.6	14%	0.141	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-15.8	177.8	64.5	0	0	0	0	113.2	Y287 T291 I293 T297 G298 E314	Y287-T295 HydrophobicContact CD1-CG2 3.79Å; Y287-T295 HydrophobicContact CD2-CG2 4.36Å; Y287-T295 HydrophobicContact CE1-CG2 4.42Å; Y287-T295 HydrophobicContact CG-CG2 3.75Å; T291-T295 HydrophobicContact CG2-CG2 3.44Å; T291-T295 VanDerWaalsContact CG2-CG2 3.44Å; I293-T295 PolarHBondContact O-N 2.79Å; I293-T295 VanDerWaalsContact O-N 3.13Å; T295-T297 PolarHBondContact O-N 3.46Å; T295-G298 PolarHBondContact O-N 3.33Å; T295-G298 VanDerWaalsContact O-N 3.15Å; T295-E314 PolarHBondContact OG1-OE1 3.13Å
296	S	87	Confident	91.6	Very high	41 Å²	41	47.6 Å²	47.6	29%	0.287	24%	0.242	S	C	.	.	H	α-helix	trans	-61.7	-19.2	175.7	79	0	0	0	0	112.8	D294 G298 K299 K300	D294-S296 PolarHBondContact O-N 2.95Å; D294-S296 WeakPolarHBondContact OD1-CB 3.45Å; D294-S296 PolarHBondContact OD1-N 3.14Å; D294-S296 PolarHBondContact OD1-OG 3.24Å; D294-S296 PolarHBondContact OD2-OG 2.76Å; S296-G298 VanDerWaalsContact C-N 3.3Å; S296-G298 PolarHBondContact O-N 3.29Å; S296-K299 PolarHBondContact O-N 3.17Å; S296-K300 WeakPolarHBondContact O-CG 3.27Å; S296-K300 PolarHBondContact O-N 3.42Å; S296-K300 PolarHBondContact OG-NZ 3.32Å
297	T	88.4	Confident	91.4	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-53.4	-42.9	173.5	-64.1	0	0	0	0	112.6	F174 L271 M285 Y287 D294 T295 K299 K300 V301	F174-T297 HydrophobicContact CB-CG2 3.35Å; F174-T297 HydrophobicContact CD1-CG2 3.29Å; F174-T297 HydrophobicContact CE1-CG2 4.34Å; F174-T297 HydrophobicContact CG-CG2 3.62Å; L271-T297 HydrophobicContact CD1-CG2 4.39Å; L271-T297 HydrophobicContact CD2-CG2 3.98Å; L271-T297 HydrophobicContact CG-CG2 4.17Å; M285-T297 HydrophobicContact CE-CG2 4.08Å; Y287-T297 WeakPolarHBondContact OH-CB 3.47Å; D294-T297 VanDerWaalsContact O-CB 3.31Å; D294-T297 WeakPolarHBondContact O-CB 3.14Å; D294-T297 PolarHBondContact O-N 2.87Å; D294-T297 PolarHBondContact O-OG1 2.88Å; T295-T297 PolarHBondContact O-N 3.46Å; T297-K299 VanDerWaalsContact C-N 3.34Å; T297-K299 PolarHBondContact O-N 3.41Å; T297-K300 WeakPolarHBondContact O-CB 3.32Å; T297-K300 PolarHBondContact O-N 2.81Å; T297-V301 HydrophobicContact CG2-CG2 4.2Å; T297-V301 WeakPolarHBondContact O-CG2 3.28Å; T297-V301 PolarHBondContact O-N 2.84Å
298	G	91.3	Very high	91.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59.7	-45.1	-177.6	0	0	0	0	0	112.3	Y287 T295 S296 K300 V301 K302	Y287-G298 PolarHBondContact OH-N 3.33Å; T295-G298 PolarHBondContact O-N 3.33Å; T295-G298 VanDerWaalsContact O-N 3.15Å; S296-G298 VanDerWaalsContact C-N 3.3Å; S296-G298 PolarHBondContact O-N 3.29Å; G298-K300 PolarHBondContact O-N 3.21Å; G298-V301 PolarHBondContact O-N 3.26Å; G298-K302 PolarHBondContact O-N 3.27Å
299	K	93.4	Very high	91.5	Very high	144 Å²	144	59.4 Å²	59.4	63%	0.626	30%	0.299	S	S	*	.	H	α-helix	trans	-60.5	-42.1	172.6	-59.9	-177.7	-176.5	174.6	0	112.5	S296 T297 K302 M303 D312	S296-K299 PolarHBondContact O-N 3.17Å; T297-K299 VanDerWaalsContact C-N 3.34Å; T297-K299 PolarHBondContact O-N 3.41Å; K299-K302 PolarHBondContact O-N 2.94Å; K299-M303 WeakPolarHBondContact O-CG 3.33Å; K299-M303 PolarHBondContact O-N 3.33Å; K299-D312 WeakPolarHBondContact CG-OD2 3.06Å; K299-D312 PolarHBondContact N-OD2 2.86Å
300	K	95.2	Very high	91.7	Very high	79 Å²	79	58.3 Å²	58.3	34%	0.343	29%	0.29	S	S	.	.	H	α-helix	trans	-64.3	-41.4	177.4	-68.2	171.6	-173.8	163.6	0	112	L271 D294 S296 T297 G298 K302 M303 Q304	L271-K300 HydrophobicContact CD1-CB 4.17Å; L271-K300 HydrophobicContact CD1-CD 3.65Å; L271-K300 HydrophobicContact CD2-CB 3.81Å; D294-K300 IonicContact OD2-NZ 3.02Å; S296-K300 WeakPolarHBondContact O-CG 3.27Å; S296-K300 PolarHBondContact O-N 3.42Å; S296-K300 PolarHBondContact OG-NZ 3.32Å; T297-K300 WeakPolarHBondContact O-CB 3.32Å; T297-K300 PolarHBondContact O-N 2.81Å; G298-K300 PolarHBondContact O-N 3.21Å; K300-K302 VanDerWaalsContact C-N 3.34Å; K300-K302 PolarHBondContact O-N 2.76Å; K300-M303 HydrophobicContact CB-CE 4.36Å; K300-M303 HydrophobicContact CG-CE 3.99Å; K300-M303 PolarHBondContact O-N 2.88Å; K300-Q304 WeakPolarHBondContact O-CG 3.39Å; K300-Q304 PolarHBondContact O-N 3.42Å
301	V	95.9	Very high	92.2	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.8	-45.7	173.8	172	0	0	0	0	110.5	F174 L271 I274 I283 T297 G298 M303 Q304 R305 V310	F174-V301 HydrophobicContact CD1-CG2 4.17Å; F174-V301 HydrophobicContact CE1-CG2 4.13Å; L271-V301 HydrophobicContact CD2-CG2 3.71Å; I274-V301 HydrophobicContact CG1-CG1 3.81Å; I274-V301 HydrophobicContact CG1-CG2 4.1Å; I274-V301 HydrophobicContact CG2-CG2 4.45Å; I283-V301 HydrophobicContact CD1-CG1 4.48Å; T297-V301 HydrophobicContact CG2-CG2 4.2Å; T297-V301 WeakPolarHBondContact O-CG2 3.28Å; T297-V301 PolarHBondContact O-N 2.84Å; G298-V301 PolarHBondContact O-N 3.26Å; V301-M303 VanDerWaalsContact C-N 3.33Å; V301-M303 PolarHBondContact O-N 3.37Å; V301-Q304 PolarHBondContact O-N 3.42Å; V301-R305 PolarHBondContact O-N 3.19Å; V301-R305 VanDerWaalsContact O-N 3.13Å; V301-V310 HydrophobicContact CG1-CG1 3.99Å; V301-V310 HydrophobicContact CG1-CG2 4.34Å
302	K	95.4	Very high	92.6	Very high	122 Å²	122	58 Å²	58	53%	0.53	28%	0.283	S	S	.	.	H	α-helix	trans	-59.7	-41.8	177	-170.8	171.8	-172.4	175.9	0	112.3	G298 K299 K300 R305 V310	G298-K302 PolarHBondContact O-N 3.27Å; K299-K302 PolarHBondContact O-N 2.94Å; K300-K302 VanDerWaalsContact C-N 3.34Å; K300-K302 PolarHBondContact O-N 2.76Å; K302-R305 CarbonylContact O-C 3.59Å; K302-R305 PolarHBondContact O-N 3.14Å; K302-V310 HydrophobicContact CB-CB 4.15Å; K302-V310 HydrophobicContact CB-CG1 3.91Å; K302-V310 HydrophobicContact CG-CB 4.17Å; K302-V310 HydrophobicContact CG-CG1 4.41Å
303	M	95.6	Very high	93.4	Very high	140 Å²	140	57.8 Å²	57.8	69%	0.69	28%	0.284	S	S	*	.	H	α-helix	trans	-66.6	-35.8	176.5	-70.4	-174.3	-64.4	0	0	113.2	K299 K300 V301 R305	K299-M303 WeakPolarHBondContact O-CG 3.33Å; K299-M303 PolarHBondContact O-N 3.33Å; K300-M303 HydrophobicContact CB-CE 4.36Å; K300-M303 HydrophobicContact CG-CE 3.99Å; K300-M303 PolarHBondContact O-N 2.88Å; V301-M303 VanDerWaalsContact C-N 3.33Å; V301-M303 PolarHBondContact O-N 3.37Å; M303-R305 VanDerWaalsContact C-N 3.29Å; M303-R305 PolarHBondContact O-N 3.43Å
304	Q	95.7	Very high	94	Very high	82 Å²	82	62.5 Å²	62.5	38%	0.383	31%	0.306	S	S	.	.	H	α-helix	trans	-79	-11.3	179.3	-70.8	-175.2	2	0	0	113.8	L271 I274 K300 V301 P306	L271-Q304 PolarHBondContact O-NE2 3.05Å; L271-Q304 PolarHBondContact O-OE1 3.23Å; I274-Q304 HydrophobicContact CG2-CB 4.34Å; K300-Q304 WeakPolarHBondContact O-CG 3.39Å; K300-Q304 PolarHBondContact O-N 3.42Å; V301-Q304 PolarHBondContact O-N 3.42Å; Q304-P306 VanDerWaalsContact C-CD 3.42Å
305	R	95.8	Very high	94.6	Very high	10 Å²	10	60.6 Å²	60.6	4%	0.038	30%	0.296	C	S	.	.			trans	-127.5	59.5	-179.4	-60	179.9	62.4	77.5	-2.3	111.5	I274 I277 R278 V281 V301 K302 M303 D307 S308 V310	I274-R305 PolarHBondContact O-NH1 3.44Å; I277-R305 PolarHBondContact O-NH1 3.16Å; R278-R305 PolarHBondContact O-NH2 3.05Å; V281-R305 PolarHBondContact O-NH2 2.72Å; V301-R305 PolarHBondContact O-N 3.19Å; V301-R305 VanDerWaalsContact O-N 3.13Å; K302-R305 CarbonylContact O-C 3.59Å; K302-R305 PolarHBondContact O-N 3.14Å; M303-R305 VanDerWaalsContact C-N 3.29Å; M303-R305 PolarHBondContact O-N 3.43Å; R305-D307 PolarHBondContact O-N 3.29Å; R305-S308 PolarHBondContact NH2-OG 2.92Å; R305-S308 PolarHBondContact O-N 3Å; R305-S308 VanDerWaalsContact O-N 3.15Å; R305-V310 HydrophobicContact CB-CG2 3.98Å
306	P	94.6	Very high	95.1	Very high	105 Å²	105	66.2 Å²	66.2	68%	0.682	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-27.2	-173.6	27.2	-35.8	0	0	0	113.6	Q304	Q304-P306 VanDerWaalsContact C-CD 3.42Å
307	D	94.3	Very high	95.4	Very high	114 Å²	114	65.9 Å²	65.9	61%	0.61	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	13.3	-179.2	-50.1	-40.7	0	0	0	113	K279 R305	K279-D307 HydrophobicContact CD-CB 4.19Å; K279-D307 IonicContact NZ-OD2 3.91Å; K279-D307 PolarHBondContact NZ-OD2 3.46Å; R305-D307 PolarHBondContact O-N 3.29Å
308	S	96.6	Very high	95.6	Very high	20 Å²	20	65.9 Å²	65.9	14%	0.14	32%	0.324	C	S	.	.	S	Bend	trans	-124.9	151.2	-178.5	-57.3	0	0	0	0	110.9	K279 R305 V310	K279-S308 VanDerWaalsContact CA-OG 3.28Å; K279-S308 WeakPolarHBondContact CA-OG 3.42Å; K279-S308 WeakPolarHBondContact O-CB 3.44Å; K279-S308 PolarHBondContact O-OG 2.78Å; R305-S308 PolarHBondContact NH2-OG 2.92Å; R305-S308 PolarHBondContact O-N 3Å; R305-S308 VanDerWaalsContact O-N 3.15Å; S308-V310 PolarHBondContact O-N 3.25Å
309	Y	97.9	Very high	95.6	Very high	115 Å²	115	67.2 Å²	67.2	45%	0.451	33%	0.333	S	S	.	.			trans	-66.8	117.4	169.2	179.6	-87.9	0	0	0	110	H165 P282 I283 R311	H165-Y309 AromaticContact CE1-CE1 3.83Å; P282-Y309 HydrophobicContact CB-CD1 3.65Å; P282-Y309 HydrophobicContact CB-CG 4.17Å; I283-Y309 PolarHBondContact N-O 3.45Å; Y309-R311 HydrophobicContact CE1-CB 3.92Å
310	V	98.1	Very high	95.4	Very high	11 Å²	11	60.8 Å²	60.8	7%	0.067	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	115.2	170.3	-176.7	0	0	0	0	109.4	I283 V301 K302 R305 S308	I283-V310 HydrophobicContact CB-CG2 4.48Å; I283-V310 CarbonylContact O-C 3.5Å; I283-V310 VanDerWaalsContact O-CA 3.27Å; I283-V310 WeakPolarHBondContact O-CA 3.4Å; V301-V310 HydrophobicContact CG1-CG1 3.99Å; V301-V310 HydrophobicContact CG1-CG2 4.34Å; K302-V310 HydrophobicContact CB-CB 4.15Å; K302-V310 HydrophobicContact CB-CG1 3.91Å; K302-V310 HydrophobicContact CG-CB 4.17Å; K302-V310 HydrophobicContact CG-CG1 4.41Å; R305-V310 HydrophobicContact CB-CG2 3.98Å; S308-V310 PolarHBondContact O-N 3.25Å
311	R	97.9	Very high	95.3	Very high	69 Å²	69	57.8 Å²	57.8	26%	0.26	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	130.6	169.3	-177.7	174	177.8	170.9	-5.7	109.1	I283 T284 M285 Y309 E336	I283-R311 PolarHBondContact O-N 3.09Å; T284-R311 CarbonylContact C-O 3.14Å; T284-R311 WeakPolarHBondContact CA-O 3.12Å; T284-R311 HydrophobicContact CG2-CB 4.02Å; T284-R311 HydrophobicContact CG2-CG 4.15Å; M285-R311 PolarHBondContact N-O 3.33Å; Y309-R311 HydrophobicContact CE1-CB 3.92Å; R311-E336 IonicContact CZ-OE1 3.78Å; R311-E336 IonicContact NH1-OE1 3.62Å; R311-E336 PolarHBondContact NH1-OE1 3.39Å; R311-E336 IonicContact NH1-OE2 3.56Å; R311-E336 IonicContact NH2-OE1 3.49Å; R311-E336 IonicContact NH2-OE2 2.79Å; R311-E336 PolarHBondContact NH2-OE2 3.48Å
312	D	96.6	Very high	95.3	Very high	48 Å²	48	57.8 Å²	57.8	26%	0.257	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	124.9	175	-179.1	31.2	0	0	0	107.5	Y287 K299	Y287-D312 WeakPolarHBondContact CE2-OD1 3.46Å; K299-D312 WeakPolarHBondContact CG-OD2 3.06Å; K299-D312 PolarHBondContact N-OD2 2.86Å
313	M	97.1	Very high	95.3	Very high	37 Å²	37	52 Å²	52	18%	0.182	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	155.2	-177.2	66.8	-172.9	-62.3	0	0	113.1	T284 M285 I286 Y287 V333	T284-M313 HydrophobicContact CG2-SD 4.32Å; M285-M313 WeakPolarHBondContact O-CG 3.34Å; M285-M313 PolarHBondContact O-N 3.06Å; I286-M313 HydrophobicContact CG1-CG 4.2Å; I286-M313 HydrophobicContact CG1-SD 4.4Å; Y287-M313 PolarHBondContact N-O 3.49Å; M313-V333 HydrophobicContact CE-CB 4.4Å; M313-V333 HydrophobicContact CE-CG1 3.72Å; M313-V333 HydrophobicContact CE-CG2 3.7Å; M313-V333 HydrophobicContact SD-CG1 3.57Å; M313-V333 VanDerWaalsContact SD-CG1 3.57Å
314	E	96.9	Very high	95.3	Very high	108 Å²	108	45.4 Å²	45.4	51%	0.505	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	142.4	176.5	-61.2	-175.1	165.5	0	0	109.6	Y287 T295	Y287-E314 CarbonylContact O-C 3.54Å; Y287-E314 WeakPolarHBondContact O-CA 3.41Å; T295-E314 PolarHBondContact OG1-OE1 3.13Å
315	I	97.6	Very high	95.2	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.026	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	116.3	170.9	-59.8	-167.4	0	0	0	107.9	I286 Y287 S289 A318 V322 Q326 I329 F330	I286-I315 HydrophobicContact CG2-CD1 3.8Å; I286-I315 HydrophobicContact CG2-CG1 3.93Å; Y287-I315 PolarHBondContact O-N 3.33Å; S289-I315 PolarHBondContact N-O 3.49Å; I315-A318 HydrophobicContact CB-CB 4.19Å; I315-A318 HydrophobicContact CG2-CB 4.06Å; I315-A318 WeakPolarHBondContact O-CB 3.5Å; I315-A318 PolarHBondContact O-N 3.47Å; I315-V322 HydrophobicContact CB-CG1 3.89Å; I315-V322 HydrophobicContact CD1-CG1 3.65Å; I315-V322 HydrophobicContact CG1-CG1 4.04Å; I315-V322 HydrophobicContact CG2-CG1 4.35Å; I315-Q326 HydrophobicContact CG2-CB 3.74Å; I315-Q326 HydrophobicContact CG2-CG 3.93Å; I315-I329 HydrophobicContact CD1-CG2 4.27Å; I315-I329 HydrophobicContact CG2-CB 4.33Å; I315-I329 HydrophobicContact CG2-CG2 3.98Å; I315-F330 HydrophobicContact CD1-CB 4.16Å; I315-F330 HydrophobicContact CD1-CD2 4.34Å
316	E	96.3	Very high	95.2	Very high	140 Å²	140	45.6 Å²	45.6	65%	0.654	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	142.4	-177.2	-167	56	-112.4	0	0	111.5	S289 A318	S289-E316 WeakPolarHBondContact OG-CA 3.38Å; S289-E316 PolarHBondContact OG-OE1 2.84Å; E316-A318 PolarHBondContact O-N 3.27Å; E316-A318 VanDerWaalsContact O-N 3.15Å
317	G	92	Very high	95.3	Very high	35 Å²	35	41.8 Å²	41.8	36%	0.361	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	-0.8	-179.3	0	0	0	0	0	114.8	S289	S289-G317 PolarHBondContact OG-N 2.97Å
318	A	93.7	Very high	95.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.219	C	C	.	.			trans	-94.3	146	179.3	0	0	0	0	0	112.5	G288 S289 N290 I315 E316 V322 D325 Q326	G288-A318 CarbonylContact C-O 3.55Å; G288-A318 WeakPolarHBondContact CA-O 3.31Å; S289-A318 PolarHBondContact N-O 2.96Å; S289-A318 VanDerWaalsContact N-O 3.16Å; N290-A318 WeakPolarHBondContact CA-O 3.49Å; N290-A318 WeakPolarHBondContact CB-O 3.27Å; N290-A318 PolarHBondContact N-O 3.47Å; I315-A318 HydrophobicContact CB-CB 4.19Å; I315-A318 HydrophobicContact CG2-CB 4.06Å; I315-A318 WeakPolarHBondContact O-CB 3.5Å; I315-A318 PolarHBondContact O-N 3.47Å; E316-A318 PolarHBondContact O-N 3.27Å; E316-A318 VanDerWaalsContact O-N 3.15Å; A318-V322 HydrophobicContact CB-CB 4.41Å; A318-V322 HydrophobicContact CB-CG1 3.9Å; A318-D325 HydrophobicContact CB-CB 3.94Å; A318-Q326 HydrophobicContact CB-CB 4.41Å; A318-Q326 HydrophobicContact CB-CG 3.92Å
319	S	90.7	Very high	95.5	Very high	28 Å²	28	47 Å²	47	20%	0.196	23%	0.233	C	C	.	.			trans	-100.3	-161.7	172.6	76.4	0	0	0	0	110.6	K228 H321 V322 D325	K228-S319 PolarHBondContact NZ-OG 3.1Å; S319-H321 PolarHBondContact O-N 2.72Å; S319-V322 WeakPolarHBondContact O-CG2 2.94Å; S319-V322 PolarHBondContact O-N 3.27Å; S319-D325 WeakPolarHBondContact CA-OD2 3.32Å; S319-D325 VanDerWaalsContact CB-OD2 3.25Å; S319-D325 WeakPolarHBondContact CB-OD2 3.35Å; S319-D325 PolarHBondContact N-OD2 3.06Å; S319-D325 PolarHBondContact OG-OD2 3.18Å
320	H	90.2	Very high	95.5	Very high	9 Å²	9	41.5 Å²	41.5	4%	0.042	21%	0.212	C	C	.	.	S	Bend	trans	-51.7	-22.5	173.9	-169.3	70.5	0	0	0	114.8	H145 S146 D170 W292 I293	H145-H320 AromaticContact CE1-CD2 3.99Å; H145-H320 AromaticContact CE1-NE2 3.94Å; H145-H320 AromaticContact NE2-CD2 3.78Å; H145-H320 AromaticContact NE2-NE2 3.75Å; H145-H320 PolarHBondContact NE2-O 3.07Å; S146-H320 VanDerWaalsContact CB-NE2 3.31Å; S146-H320 WeakPolarHBondContact CB-NE2 3.47Å; S146-H320 PolarHBondContact OG-CE1 2.77Å; S146-H320 PolarHBondContact OG-NE2 2.71Å; D170-H320 PolarHBondContact O-CE1 2.62Å; W292-H320 AromaticContact NE1-CG 3.47Å; W292-H320 AromaticContact NE1-ND1 3.55Å; I293-H320 VanDerWaalsContact CG1-ND1 3.29Å; I293-H320 WeakPolarHBondContact CG1-ND1 3.39Å
321	H	92.5	Very high	95.5	Very high	15 Å²	15	41.2 Å²	41.2	7%	0.069	21%	0.21	C	C	.	.			trans	-106.8	60.4	178.4	-60.1	77.1	0	0	0	110	H145 R222 F225 K228 S319 Y323 A324 D325	H145-H321 AromaticContact CE1-CD2 3.84Å; R222-H321 PolarHBondContact NH2-CE1 2.74Å; F225-H321 AromaticContact CE1-CD2 3.94Å; F225-H321 AromaticContact CE2-NE2 3.96Å; F225-H321 AromaticContact CZ-CD2 3.44Å; F225-H321 VanDerWaalsContact CZ-CD2 3.44Å; F225-H321 WeakPolarHBondContact CZ-CD2 3.42Å; F225-H321 AromaticContact CZ-NE2 3.37Å; F225-H321 WeakPolarHBondContact CZ-NE2 3.48Å; K228-H321 HydrophobicContact CD-CB 4.45Å; S319-H321 PolarHBondContact O-N 2.72Å; H321-Y323 HydrophobicContact CB-CE1 4.34Å; H321-Y323 PolarHBondContact O-N 3.07Å; H321-Y323 VanDerWaalsContact O-N 3.14Å; H321-A324 HydrophobicContact CB-CB 4.41Å; H321-A324 PolarHBondContact O-N 3.01Å; H321-D325 PolarHBondContact O-N 3.19Å
322	V	95.8	Very high	95.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-47.4	-46.4	-173.3	-168.2	0	0	0	0	112.9	V169 D170 I286 I315 A318 S319 A324 D325 Q326 F330	V169-V322 HydrophobicContact CG1-CB 3.91Å; V169-V322 HydrophobicContact CG1-CG2 3.88Å; D170-V322 HydrophobicContact CB-CG2 4.47Å; D170-V322 WeakPolarHBondContact OD2-CG2 3.47Å; I286-V322 HydrophobicContact CG2-CG1 4.22Å; I315-V322 HydrophobicContact CB-CG1 3.89Å; I315-V322 HydrophobicContact CD1-CG1 3.65Å; I315-V322 HydrophobicContact CG1-CG1 4.04Å; I315-V322 HydrophobicContact CG2-CG1 4.35Å; A318-V322 HydrophobicContact CB-CB 4.41Å; A318-V322 HydrophobicContact CB-CG1 3.9Å; S319-V322 WeakPolarHBondContact O-CG2 2.94Å; S319-V322 PolarHBondContact O-N 3.27Å; V322-A324 PolarHBondContact O-N 3.04Å; V322-A324 VanDerWaalsContact O-N 3.14Å; V322-D325 PolarHBondContact O-N 3.23Å; V322-Q326 PolarHBondContact O-N 3.38Å; V322-F330 HydrophobicContact CB-CD2 4.29Å; V322-F330 HydrophobicContact CG1-CD2 3.96Å
323	Y	96.4	Very high	95.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.5	-20.7	-178.9	63.4	-96.9	0	0	0	114.7	L83 W84 N87 H145 H321 P327 F330	L83-Y323 HydrophobicContact CB-CE2 4.19Å; L83-Y323 VanDerWaalsContact O-CE2 3.26Å; L83-Y323 WeakPolarHBondContact O-CE2 3.47Å; W84-Y323 HydrophobicContact CE3-CD1 4.18Å; W84-Y323 AromaticContact CE3-CD2 3.74Å; W84-Y323 HydrophobicContact CE3-CD2 3.74Å; W84-Y323 HydrophobicContact CE3-CE2 4.18Å; W84-Y323 AromaticContact CE3-CG 3.75Å; W84-Y323 HydrophobicContact CE3-CG 3.75Å; W84-Y323 AromaticContact CH2-CD1 3.88Å; W84-Y323 HydrophobicContact CH2-CD1 3.88Å; W84-Y323 HydrophobicContact CH2-CE1 4.13Å; W84-Y323 HydrophobicContact CH2-CG 4.24Å; W84-Y323 AromaticContact CZ3-CD1 3.42Å; W84-Y323 HydrophobicContact CZ3-CD1 3.42Å; W84-Y323 VanDerWaalsContact CZ3-CD1 3.42Å; W84-Y323 AromaticContact CZ3-CD2 3.83Å; W84-Y323 HydrophobicContact CZ3-CD2 3.83Å; W84-Y323 AromaticContact CZ3-CE1 3.96Å; W84-Y323 HydrophobicContact CZ3-CE1 3.96Å; W84-Y323 HydrophobicContact CZ3-CE2 4.35Å; W84-Y323 AromaticContact CZ3-CG 3.33Å; W84-Y323 HydrophobicContact CZ3-CG 3.33Å; N87-Y323 PolarHBondContact ND2-O 3.21Å; H145-Y323 HydrophobicContact CB-CE1 4.29Å; H145-Y323 AromaticContact CD2-CE1 3.79Å; H145-Y323 AromaticContact CE1-CE1 3.76Å; H145-Y323 AromaticContact CG-CE1 3.64Å; H145-Y323 AromaticContact ND1-CE1 3.65Å; H145-Y323 AromaticContact NE2-CE1 3.86Å; H321-Y323 HydrophobicContact CB-CE1 4.34Å; H321-Y323 PolarHBondContact O-N 3.07Å; H321-Y323 VanDerWaalsContact O-N 3.14Å; Y323-P327 WeakPolarHBondContact O-CA 3.25Å; Y323-P327 WeakPolarHBondContact O-CB 3.46Å; Y323-F330 VanDerWaalsContact CB-CE1 3.47Å
324	A	95	Very high	95.7	Very high	3 Å²	3	37.1 Å²	37.1	3%	0.025	20%	0.201	C	C	.	.	H	α-helix	trans	-108.5	-21.3	179.3	0	0	0	0	0	113.2	L86 K228 F229 H321 V322	L86-A324 HydrophobicContact CD1-CB 4.17Å; K228-A324 HydrophobicContact CB-CB 4.21Å; K228-A324 HydrophobicContact CD-CB 4.06Å; F229-A324 HydrophobicContact CE2-CB 3.73Å; F229-A324 HydrophobicContact CZ-CB 3.8Å; H321-A324 HydrophobicContact CB-CB 4.41Å; H321-A324 PolarHBondContact O-N 3.01Å; V322-A324 PolarHBondContact O-N 3.04Å; V322-A324 VanDerWaalsContact O-N 3.14Å
325	D	93.3	Very high	95.7	Very high	34 Å²	34	34.1 Å²	34.1	18%	0.182	19%	0.188	C	C	.	.	H	α-helix	trans	-79.3	-40.3	174.1	-78.4	-50.3	0	0	0	112.8	K228 A318 S319 H321 V322	K228-D325 IonicContact NZ-OD1 3.52Å; K228-D325 PolarHBondContact NZ-OD1 2.69Å; K228-D325 IonicContact NZ-OD2 3.58Å; K228-D325 PolarHBondContact NZ-OD2 3.42Å; A318-D325 HydrophobicContact CB-CB 3.94Å; S319-D325 WeakPolarHBondContact CA-OD2 3.32Å; S319-D325 VanDerWaalsContact CB-OD2 3.25Å; S319-D325 WeakPolarHBondContact CB-OD2 3.35Å; S319-D325 PolarHBondContact N-OD2 3.06Å; S319-D325 PolarHBondContact OG-OD2 3.18Å; H321-D325 PolarHBondContact O-N 3.19Å; V322-D325 PolarHBondContact O-N 3.23Å
326	Q	96.3	Very high	95.7	Very high	61 Å²	61	38.6 Å²	38.6	29%	0.285	21%	0.208	S	C	.	.	S	Bend	trans	-133.9	59.3	-175.8	-66.1	-64.3	-20.5	0	0	109.8	I315 A318 V322 H328 I329 F330	I315-Q326 HydrophobicContact CG2-CB 3.74Å; I315-Q326 HydrophobicContact CG2-CG 3.93Å; A318-Q326 HydrophobicContact CB-CB 4.41Å; A318-Q326 HydrophobicContact CB-CG 3.92Å; V322-Q326 PolarHBondContact O-N 3.38Å; Q326-H328 VanDerWaalsContact C-N 3.31Å; Q326-H328 PolarHBondContact O-N 3.45Å; Q326-I329 HydrophobicContact CB-CB 4.35Å; Q326-I329 HydrophobicContact CB-CD1 4.49Å; Q326-I329 PolarHBondContact O-N 3.49Å; Q326-F330 WeakPolarHBondContact O-CB 3.14Å; Q326-F330 PolarHBondContact O-N 2.69Å
327	P	96.4	Very high	95.8	Very high	25 Å²	25	32 Å²	32	16%	0.162	18%	0.178	C	C	.	.	H	α-helix	trans	-57.9	-41.4	-170.2	22.7	-33.7	0	0	0	112.6	L86 Y323 N331	L86-P327 HydrophobicContact CB-CB 3.86Å; L86-P327 HydrophobicContact CD1-CB 4.48Å; L86-P327 HydrophobicContact CD1-CG 4.45Å; Y323-P327 WeakPolarHBondContact O-CA 3.25Å; Y323-P327 WeakPolarHBondContact O-CB 3.46Å; P327-N331 VanDerWaalsContact O-CB 3.24Å; P327-N331 WeakPolarHBondContact O-CB 3.35Å; P327-N331 PolarHBondContact O-N 3.31Å; P327-N331 PolarHBondContact O-ND2 3.22Å; P327-N331 PolarHBondContact O-OD1 2.98Å
328	H	97.1	Very high	96.1	Very high	159 Å²	159	30.5 Å²	30.5	74%	0.736	16%	0.161	S	C	*	.	H	α-helix	trans	-64.4	-47.3	179.5	-62.8	-64.3	0	0	0	113	Q326 N331 A332	Q326-H328 VanDerWaalsContact C-N 3.31Å; Q326-H328 PolarHBondContact O-N 3.45Å; H328-N331 PolarHBondContact O-N 2.93Å; H328-A332 WeakPolarHBondContact O-CB 3.46Å; H328-A332 PolarHBondContact O-N 3.28Å; H328-A332 VanDerWaalsContact O-N 3.07Å
329	I	98	Very high	96.1	Very high	85 Å²	85	33.3 Å²	33.3	44%	0.436	18%	0.176	S	C	.	.	H	α-helix	trans	-67.7	-44.2	179.2	-57.4	174.4	0	0	0	109.8	I315 Q326 N331 A332 V333	I315-I329 HydrophobicContact CD1-CG2 4.27Å; I315-I329 HydrophobicContact CG2-CB 4.33Å; I315-I329 HydrophobicContact CG2-CG2 3.98Å; Q326-I329 HydrophobicContact CB-CB 4.35Å; Q326-I329 HydrophobicContact CB-CD1 4.49Å; Q326-I329 PolarHBondContact O-N 3.49Å; I329-N331 PolarHBondContact O-N 3.5Å; I329-A332 PolarHBondContact O-N 3.39Å; I329-V333 WeakPolarHBondContact O-CG2 3.44Å; I329-V333 PolarHBondContact O-N 2.93Å
330	F	98.5	Very high	96.3	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.2	-47.7	176.8	174.5	-97.6	0	0	0	111.7	W84 N87 L91 L143 V169 I286 I315 V322 Y323 Q326 A332 V333 V334	W84-F330 HydrophobicContact CZ3-CE1 4.44Å; W84-F330 HydrophobicContact CZ3-CZ 4.37Å; N87-F330 WeakPolarHBondContact ND2-CD1 3.34Å; L91-F330 HydrophobicContact CD1-CE1 4.49Å; L143-F330 HydrophobicContact CD1-CZ 4.02Å; V169-F330 HydrophobicContact CB-CE2 4.39Å; V169-F330 HydrophobicContact CG1-CE2 3.77Å; V169-F330 HydrophobicContact CG1-CZ 4.46Å; V169-F330 HydrophobicContact CG2-CE2 3.67Å; V169-F330 HydrophobicContact CG2-CZ 3.99Å; I286-F330 HydrophobicContact CD1-CE2 4.42Å; I315-F330 HydrophobicContact CD1-CB 4.16Å; I315-F330 HydrophobicContact CD1-CD2 4.34Å; V322-F330 HydrophobicContact CB-CD2 4.29Å; V322-F330 HydrophobicContact CG1-CD2 3.96Å; Y323-F330 VanDerWaalsContact CB-CE1 3.47Å; Q326-F330 WeakPolarHBondContact O-CB 3.14Å; Q326-F330 PolarHBondContact O-N 2.69Å; F330-A332 PolarHBondContact O-N 2.85Å; F330-V333 PolarHBondContact O-N 3.23Å; F330-V334 HydrophobicContact CD1-CG2 4.39Å; F330-V334 HydrophobicContact CD2-CG2 4.38Å; F330-V334 HydrophobicContact CE1-CG2 3.97Å; F330-V334 HydrophobicContact CE2-CG2 3.94Å; F330-V334 HydrophobicContact CZ-CG2 3.73Å; F330-V334 WeakPolarHBondContact O-CG2 3.39Å; F330-V334 PolarHBondContact O-N 3.3Å
331	N	98.4	Very high	96.6	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.027	20%	0.204	C	C	.	.	H	α-helix	trans	-62.5	-45	179.8	-67	-13.2	0	0	0	111.1	L86 N87 S90 L91 P327 H328 I329 V333 V334 E335	L86-N331 PolarHBondContact O-ND2 2.56Å; L86-N331 VanDerWaalsContact O-ND2 3.15Å; N87-N331 WeakPolarHBondContact CA-OD1 3.4Å; N87-N331 WeakPolarHBondContact CB-OD1 3.29Å; N87-N331 PolarHBondContact ND2-OD1 2.86Å; S90-N331 WeakPolarHBondContact CB-ND2 3.17Å; L91-N331 HydrophobicContact CD2-CB 4.04Å; L91-N331 HydrophobicContact CG-CB 4.48Å; P327-N331 VanDerWaalsContact O-CB 3.24Å; P327-N331 WeakPolarHBondContact O-CB 3.35Å; P327-N331 PolarHBondContact O-N 3.31Å; P327-N331 PolarHBondContact O-ND2 3.22Å; P327-N331 PolarHBondContact O-OD1 2.98Å; H328-N331 PolarHBondContact O-N 2.93Å; I329-N331 PolarHBondContact O-N 3.5Å; N331-V333 VanDerWaalsContact C-N 3.33Å; N331-V333 PolarHBondContact O-N 3.11Å; N331-V334 PolarHBondContact O-N 2.8Å; N331-E335 WeakPolarHBondContact O-CB 3.29Å; N331-E335 WeakPolarHBondContact O-CG 3.38Å; N331-E335 PolarHBondContact O-N 3.3Å
332	A	98.3	Very high	96.4	Very high	54 Å²	54	41.9 Å²	41.9	45%	0.446	23%	0.229	S	C	.	.	H	α-helix	trans	-59.5	-42.1	177.8	0	0	0	0	0	112.5	H328 I329 F330 E335 E336	H328-A332 WeakPolarHBondContact O-CB 3.46Å; H328-A332 PolarHBondContact O-N 3.28Å; H328-A332 VanDerWaalsContact O-N 3.07Å; I329-A332 PolarHBondContact O-N 3.39Å; F330-A332 PolarHBondContact O-N 2.85Å; A332-E335 PolarHBondContact O-N 3.47Å; A332-E336 WeakPolarHBondContact O-CB 3.14Å; A332-E336 PolarHBondContact O-N 2.78Å
333	V	98.3	Very high	96.5	Very high	13 Å²	13	44 Å²	44	8%	0.079	24%	0.24	C	C	.	.	H	α-helix	trans	-65.2	-44.2	176	168.8	0	0	0	0	111.4	I286 M313 I329 F330 N331 E335 E336 I337	I286-V333 HydrophobicContact CD1-CG1 3.86Å; M313-V333 HydrophobicContact CE-CB 4.4Å; M313-V333 HydrophobicContact CE-CG1 3.72Å; M313-V333 HydrophobicContact CE-CG2 3.7Å; M313-V333 HydrophobicContact SD-CG1 3.57Å; M313-V333 VanDerWaalsContact SD-CG1 3.57Å; I329-V333 WeakPolarHBondContact O-CG2 3.44Å; I329-V333 PolarHBondContact O-N 2.93Å; F330-V333 PolarHBondContact O-N 3.23Å; N331-V333 VanDerWaalsContact C-N 3.33Å; N331-V333 PolarHBondContact O-N 3.11Å; V333-E335 VanDerWaalsContact C-N 3.34Å; V333-E336 WeakPolarHBondContact O-CB 3.34Å; V333-E336 PolarHBondContact O-N 3.25Å; V333-I337 HydrophobicContact CG1-CD1 3.99Å; V333-I337 WeakPolarHBondContact O-CD1 3.26Å; V333-I337 VanDerWaalsContact O-CG1 3.28Å; V333-I337 WeakPolarHBondContact O-CG1 3.42Å; V333-I337 PolarHBondContact O-N 3.05Å
334	V	98.6	Very high	96.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66	-39	178.6	173.3	0	0	0	0	110.9	L71 L91 L143 I167 I286 F330 N331 I337 C338	L71-V334 HydrophobicContact CD2-CG1 4.01Å; L91-V334 HydrophobicContact CD1-CB 4.47Å; L91-V334 HydrophobicContact CD1-CG1 4.03Å; L91-V334 HydrophobicContact CD2-CB 3.84Å; L91-V334 HydrophobicContact CD2-CG1 3.74Å; L143-V334 HydrophobicContact CD1-CG1 3.94Å; L143-V334 HydrophobicContact CD1-CG2 3.77Å; I167-V334 HydrophobicContact CD1-CG1 4.19Å; I286-V334 HydrophobicContact CD1-CG2 4.32Å; F330-V334 HydrophobicContact CD1-CG2 4.39Å; F330-V334 HydrophobicContact CD2-CG2 4.38Å; F330-V334 HydrophobicContact CE1-CG2 3.97Å; F330-V334 HydrophobicContact CE2-CG2 3.94Å; F330-V334 HydrophobicContact CZ-CG2 3.73Å; F330-V334 WeakPolarHBondContact O-CG2 3.39Å; F330-V334 PolarHBondContact O-N 3.3Å; N331-V334 PolarHBondContact O-N 2.8Å; V334-I337 PolarHBondContact O-N 3.27Å; V334-C338 WeakPolarHBondContact O-CB 3.41Å; V334-C338 PolarHBondContact O-N 2.91Å; V334-C338 PolarHBondContact O-SG 3.31Å
335	E	97.3	Very high	96.5	Very high	46 Å²	46	48.7 Å²	48.7	22%	0.215	27%	0.266	C	S	.	.	H	α-helix	trans	-62.7	-42.1	174.2	-78.1	169.7	-159.2	0	0	112.4	S90 L91 N331 A332 V333 C338 D339	S90-E335 VanDerWaalsContact C-OE1 3.29Å; S90-E335 WeakPolarHBondContact CB-OE1 3.34Å; S90-E335 PolarHBondContact OG-OE1 3.25Å; L91-E335 HydrophobicContact CD2-CG 3.8Å; N331-E335 WeakPolarHBondContact O-CB 3.29Å; N331-E335 WeakPolarHBondContact O-CG 3.38Å; N331-E335 PolarHBondContact O-N 3.3Å; A332-E335 PolarHBondContact O-N 3.47Å; V333-E335 VanDerWaalsContact C-N 3.34Å; E335-C338 WeakPolarHBondContact O-CB 3.42Å; E335-C338 PolarHBondContact O-N 3.32Å; E335-D339 WeakPolarHBondContact O-CB 3.31Å; E335-D339 VanDerWaalsContact O-CG 3.3Å; E335-D339 PolarHBondContact O-N 3.38Å
336	E	97.6	Very high	96.7	Very high	98 Å²	98	49.6 Å²	49.6	46%	0.458	27%	0.271	S	S	.	.	H	α-helix	trans	-58.8	-48.7	174.4	-174.8	-159	150	0	0	111.1	R311 A332 V333 C338 D339 S340	R311-E336 IonicContact CZ-OE1 3.78Å; R311-E336 IonicContact NH1-OE1 3.62Å; R311-E336 PolarHBondContact NH1-OE1 3.39Å; R311-E336 IonicContact NH1-OE2 3.56Å; R311-E336 IonicContact NH2-OE1 3.49Å; R311-E336 IonicContact NH2-OE2 2.79Å; R311-E336 PolarHBondContact NH2-OE2 3.48Å; A332-E336 WeakPolarHBondContact O-CB 3.14Å; A332-E336 PolarHBondContact O-N 2.78Å; V333-E336 WeakPolarHBondContact O-CB 3.34Å; V333-E336 PolarHBondContact O-N 3.25Å; E336-C338 VanDerWaalsContact C-N 3.31Å; E336-C338 PolarHBondContact O-N 3.47Å; E336-D339 PolarHBondContact O-N 3.46Å; E336-S340 PolarHBondContact O-N 2.67Å
337	I	97.9	Very high	96.8	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.015	27%	0.27	C	S	.	.	H	α-helix	trans	-60.8	-46.3	177.3	-64.2	159.7	0	0	0	109.8	H165 I167 T284 I286 V333 V334 D339 S340	H165-I337 WeakPolarHBondContact NE2-CG2 3.32Å; I167-I337 HydrophobicContact CD1-CB 4.17Å; I167-I337 HydrophobicContact CD1-CD1 4.15Å; I167-I337 HydrophobicContact CD1-CG2 3.71Å; I167-I337 HydrophobicContact CG1-CD1 4.37Å; I167-I337 HydrophobicContact CG1-CG2 3.98Å; I167-I337 HydrophobicContact CG2-CD1 4.44Å; T284-I337 HydrophobicContact CG2-CD1 3.6Å; T284-I337 HydrophobicContact CG2-CG1 4.38Å; I286-I337 HydrophobicContact CD1-CD1 4.16Å; V333-I337 HydrophobicContact CG1-CD1 3.99Å; V333-I337 WeakPolarHBondContact O-CD1 3.26Å; V333-I337 VanDerWaalsContact O-CG1 3.28Å; V333-I337 WeakPolarHBondContact O-CG1 3.42Å; V333-I337 PolarHBondContact O-N 3.05Å; V334-I337 PolarHBondContact O-N 3.27Å; I337-D339 VanDerWaalsContact C-N 3.3Å; I337-D339 PolarHBondContact O-N 3Å; I337-S340 PolarHBondContact O-N 2.77Å; I337-S340 VanDerWaalsContact O-N 3.09Å; I337-S340 PolarHBondContact O-OG 3.5Å
338	C	97.1	Very high	96.8	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.014	28%	0.277	C	S	.	.	H	α-helix	trans	-59.4	-40.9	-179.8	-80.2	0	0	0	0	112.4	R95 I141 V334 E335 E336 S340 V341	R95-C338 VanDerWaalsContact CZ-CB 3.42Å; R95-C338 PolarHBondContact NH2-O 3.03Å; I141-C338 HydrophobicContact CD1-CB 4.01Å; V334-C338 WeakPolarHBondContact O-CB 3.41Å; V334-C338 PolarHBondContact O-N 2.91Å; V334-C338 PolarHBondContact O-SG 3.31Å; E335-C338 WeakPolarHBondContact O-CB 3.42Å; E335-C338 PolarHBondContact O-N 3.32Å; E336-C338 VanDerWaalsContact C-N 3.31Å; E336-C338 PolarHBondContact O-N 3.47Å; C338-S340 VanDerWaalsContact C-N 3.27Å; C338-S340 PolarHBondContact O-N 3.27Å; C338-V341 PolarHBondContact O-N 3.09Å
339	D	94.7	Very high	96.8	Very high	59 Å²	59	42.7 Å²	42.7	32%	0.316	24%	0.244	S	C	.	.	H	α-helix	trans	-68.7	-23	176.9	-73.5	-9.3	0	0	0	113.6	R68 R94 R95 E335 E336 I337 V341	R68-D339 IonicContact NH1-OD1 2.71Å; R68-D339 PolarHBondContact NH1-OD1 2.76Å; R94-D339 IonicContact CZ-OD1 2.74Å; R94-D339 IonicContact CZ-OD2 3.79Å; R94-D339 IonicContact NE-OD1 2.73Å; R94-D339 IonicContact NH1-OD1 3.12Å; R94-D339 PolarHBondContact NH1-OD1 3.03Å; R94-D339 IonicContact NH1-OD2 3.52Å; R94-D339 PolarHBondContact NH1-OD2 3.13Å; R94-D339 IonicContact NH2-OD1 3.07Å; R94-D339 PolarHBondContact NH2-OD1 3.36Å; R94-D339 IonicContact NH2-OD2 2.63Å; R94-D339 PolarHBondContact NH2-OD2 3.38Å; R95-D339 IonicContact NH2-OD1 2.66Å; E335-D339 WeakPolarHBondContact O-CB 3.31Å; E335-D339 VanDerWaalsContact O-CG 3.3Å; E335-D339 PolarHBondContact O-N 3.38Å; E336-D339 PolarHBondContact O-N 3.46Å; I337-D339 VanDerWaalsContact C-N 3.3Å; I337-D339 PolarHBondContact O-N 3Å; D339-V341 PolarHBondContact O-N 2.88Å
340	S	95.7	Very high	96.7	Very high	84 Å²	84	39.5 Å²	39.5	59%	0.587	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-8.4	176	74.8	0	0	0	0	114.4	E336 I337 C338	E336-S340 PolarHBondContact O-N 2.67Å; I337-S340 PolarHBondContact O-N 2.77Å; I337-S340 VanDerWaalsContact O-N 3.09Å; I337-S340 PolarHBondContact O-OG 3.5Å; C338-S340 VanDerWaalsContact C-N 3.27Å; C338-S340 PolarHBondContact O-N 3.27Å
341	V	95.4	Very high	96.5	Very high	38 Å²	38	42.8 Å²	42.8	23%	0.23	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-29.5	-176.8	173.1	0	0	0	0	112.8	T69 I141 K164 H165 C338 D339	T69-V341 HydrophobicContact CG2-CG1 4.34Å; I141-V341 HydrophobicContact CD1-CB 3.88Å; I141-V341 HydrophobicContact CD1-CG1 4.05Å; I141-V341 HydrophobicContact CD1-CG2 3.77Å; I141-V341 HydrophobicContact CG1-CB 4.34Å; I141-V341 HydrophobicContact CG1-CG1 4.04Å; I141-V341 HydrophobicContact CG1-CG2 4.07Å; K164-V341 HydrophobicContact CB-CG1 3.62Å; K164-V341 HydrophobicContact CG-CG1 4.38Å; H165-V341 HydrophobicContact CB-CG2 3.68Å; C338-V341 PolarHBondContact O-N 3.09Å; D339-V341 PolarHBondContact O-N 2.88Å
342	D	88.8	Confident	96.3	Very high	111 Å²	111	46.2 Å²	46.2	59%	0.594	27%	0.269	S	S	*	.			trans	-95.1	0	-172.6	-62.1	-58.2	0	0	0	113.4	T69 R95	T69-D342 WeakPolarHBondContact CB-OD1 3.35Å; T69-D342 PolarHBondContact N-OD1 3.05Å; T69-D342 PolarHBondContact OG1-OD1 3.13Å; R95-D342 IonicContact CZ-OD2 3.46Å; R95-D342 IonicContact NH1-OD1 3.97Å; R95-D342 IonicContact NH1-OD2 3.75Å; R95-D342 PolarHBondContact NH1-OD2 3.4Å; R95-D342 IonicContact NH2-OD2 2.72Å; R95-D342 PolarHBondContact NH2-OD2 3.23Å

Retrieved 342 of 342 residues in 806.6 ms (Link to these results)

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