A0A096NXF9_PAPAN Loading...

Lipopolysaccharide-binding protein

Plays a role in the innate immune response. Binds to the lipid A moiety of bacterial lipopolysaccharides (LPS), a glycolipid present in the outer membrane of all Gram-negative bacteria. Acts as an affinity enhancer for CD14, facilitating its association with LPS. Promotes the release of cytokines in response to bacterial lipopolysaccharide.

AlphaFold DB , UniProt , Accession A0A096NXF9, Species PAPAN (Papio anubis, Olive baboon), Gene LBP, Length 481 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.4	Very low	50.3	Low	254 Å²	254	107.1 Å²	107.1	100%	1.251	71%	0.707	S	S	*	*				0	99.4	0	-74.8	164	62.2	0	0	108
2	G	47.8	Very low	50.7	Low	81 Å²	81	106.9 Å²	106.9	84%	0.835	69%	0.693	S	S	*	*			trans	154.7	75.4	-177.9	0	0	0	0	0	112
3	A	45.7	Very low	51	Low	101 Å²	101	107.4 Å²	107.4	84%	0.835	69%	0.686	S	S	*	*	S	Bend	trans	-165.9	20.2	165.9	0	0	0	0	0	113.8
4	L	46.4	Very low	51.3	Low	159 Å²	159	103.5 Å²	103.5	83%	0.832	67%	0.668	S	S	*	*	S	Bend	trans	-131	0.9	-174.5	-98.2	142	0	0	0	115.3
5	A	48.7	Very low	51.2	Low	90 Å²	90	104.3 Å²	104.3	74%	0.744	66%	0.664	S	S	*	*	S	Bend	trans	-93.9	-7.5	-178.3	0	0	0	0	0	114.7
6	G	46.2	Very low	51.1	Low	59 Å²	59	105.1 Å²	105.1	61%	0.608	66%	0.661	S	S	*	*	S	Bend	trans	-93.8	-9.4	-175.2	0	0	0	0	0	116	S10	G6-S10 PolarHBondContact O-OG 3.41Å
7	A	51	Low	50.8	Low	56 Å²	56	107.3 Å²	107.3	46%	0.463	67%	0.666	S	S	.	*	S	Bend	trans	-93.3	-26.4	-175.1	0	0	0	0	0	113.6	S10 I11	A7-S10 PolarHBondContact O-N 3.49Å; A7-I11 HydrophobicContact CB-CD1 4.33Å; A7-I11 WeakPolarHBondContact O-CD1 3.38Å; A7-I11 WeakPolarHBondContact O-CG1 3.31Å; A7-I11 PolarHBondContact O-N 3.26Å; A7-I11 VanDerWaalsContact O-N 3.11Å
8	L	51.5	Low	50	Low	120 Å²	120	106.7 Å²	106.7	63%	0.628	66%	0.662	S	S	*	*	H	α-helix	trans	-64.7	-42.1	-178.3	-87.3	142.8	0	0	0	114.4	S10 L12	L8-S10 VanDerWaalsContact C-N 3.33Å; L8-S10 PolarHBondContact O-N 3.25Å; L8-L12 PolarHBondContact O-N 3.47Å
9	P	54.8	Low	49.2	Very low	81 Å²	81	105.7 Å²	105.7	53%	0.526	66%	0.659	S	S	.	*	H	α-helix	trans	-67.6	-36.4	178.1	-15.6	29.2	0	0	0	111.9	L12 L13	P9-L12 PolarHBondContact O-N 3.11Å; P9-L13 WeakPolarHBondContact O-CB 3.35Å; P9-L13 PolarHBondContact O-N 3.11Å
10	S	57.4	Low	48.4	Very low	76 Å²	76	106.2 Å²	106.2	53%	0.531	66%	0.662	S	S	.	*	H	α-helix	trans	-72.4	-32.8	-177.6	-49.4	0	0	0	0	112.6	G6 A7 L8 A14	G6-S10 PolarHBondContact O-OG 3.41Å; A7-S10 PolarHBondContact O-N 3.49Å; L8-S10 VanDerWaalsContact C-N 3.33Å; L8-S10 PolarHBondContact O-N 3.25Å; S10-A14 WeakPolarHBondContact O-CB 3.36Å; S10-A14 PolarHBondContact O-N 2.77Å
11	I	58.9	Low	47.9	Very low	101 Å²	101	106 Å²	106	52%	0.518	66%	0.661	S	S	.	*	H	α-helix	trans	-74.1	-37.8	174.7	-65.4	163.3	0	0	0	110.7	A7 A14 L15	A7-I11 HydrophobicContact CB-CD1 4.33Å; A7-I11 WeakPolarHBondContact O-CD1 3.38Å; A7-I11 WeakPolarHBondContact O-CG1 3.31Å; A7-I11 PolarHBondContact O-N 3.26Å; A7-I11 VanDerWaalsContact O-N 3.11Å; I11-A14 PolarHBondContact O-N 3.22Å; I11-L15 HydrophobicContact CG2-CD1 3.93Å; I11-L15 WeakPolarHBondContact O-CB 3.22Å; I11-L15 WeakPolarHBondContact O-CD1 3.04Å; I11-L15 PolarHBondContact O-N 2.71Å
12	L	54.7	Low	47.1	Very low	105 Å²	105	102.6 Å²	102.6	55%	0.55	64%	0.642	S	S	.	*	H	α-helix	trans	-64.2	-39.9	172.4	-98.9	144.3	0	0	0	112.3	L8 P9 L15 L16	L8-L12 PolarHBondContact O-N 3.47Å; P9-L12 PolarHBondContact O-N 3.11Å; L12-L15 PolarHBondContact O-N 2.78Å; L12-L16 WeakPolarHBondContact O-CD1 3.27Å; L12-L16 WeakPolarHBondContact O-CG 3.24Å; L12-L16 PolarHBondContact O-N 3.11Å
13	L	54.7	Low	46.4	Very low	113 Å²	113	103.2 Å²	103.2	59%	0.592	64%	0.64	S	S	*	*	H	α-helix	trans	-68.5	-37.2	175.5	-141	78.4	0	0	0	112.1	P9 L16 L17	P9-L13 WeakPolarHBondContact O-CB 3.35Å; P9-L13 PolarHBondContact O-N 3.11Å; L13-L16 PolarHBondContact O-N 3.28Å; L13-L17 WeakPolarHBondContact O-CB 3.43Å; L13-L17 WeakPolarHBondContact O-CD1 3.41Å; L13-L17 WeakPolarHBondContact O-CG 3.09Å; L13-L17 PolarHBondContact O-N 3.32Å
14	A	54.7	Low	46	Very low	53 Å²	53	106 Å²	106	44%	0.438	64%	0.64	S	S	.	*	H	α-helix	trans	-67.4	-38.3	174.3	0	0	0	0	0	112.2	S10 I11 L17 T18	S10-A14 WeakPolarHBondContact O-CB 3.36Å; S10-A14 PolarHBondContact O-N 2.77Å; I11-A14 PolarHBondContact O-N 3.22Å; A14-L17 PolarHBondContact O-N 3.25Å; A14-T18 WeakPolarHBondContact O-CG2 3.31Å; A14-T18 PolarHBondContact O-N 3.09Å; A14-T18 PolarHBondContact O-OG1 2.98Å
15	L	50.6	Low	46.4	Very low	115 Å²	115	100.7 Å²	100.7	60%	0.602	62%	0.624	S	S	*	*	H	α-helix	trans	-67.5	-33.1	174	-85	153.3	0	0	0	112.9	I11 L12 T18	I11-L15 HydrophobicContact CG2-CD1 3.93Å; I11-L15 WeakPolarHBondContact O-CB 3.22Å; I11-L15 WeakPolarHBondContact O-CD1 3.04Å; I11-L15 PolarHBondContact O-N 2.71Å; L12-L15 PolarHBondContact O-N 2.78Å; L15-T18 WeakPolarHBondContact CA-OG1 3.4Å; L15-T18 PolarHBondContact O-OG1 2.75Å
16	L	48.9	Very low	47.6	Very low	118 Å²	118	100.1 Å²	100.1	62%	0.618	62%	0.619	S	S	*	*	H	α-helix	trans	-70.4	-33.2	172.8	-79.8	156.8	0	0	0	112.4	L12 L13 S19	L12-L16 WeakPolarHBondContact O-CD1 3.27Å; L12-L16 WeakPolarHBondContact O-CG 3.24Å; L12-L16 PolarHBondContact O-N 3.11Å; L13-L16 PolarHBondContact O-N 3.28Å; L16-S19 PolarHBondContact O-OG 3.42Å
17	L	45.5	Very low	49.7	Very low	142 Å²	142	100.8 Å²	100.8	74%	0.743	61%	0.609	S	S	*	*	H	α-helix	trans	-82.7	-12.1	177.2	-72.3	163.4	0	0	0	113.9	L13 A14	L13-L17 WeakPolarHBondContact O-CB 3.43Å; L13-L17 WeakPolarHBondContact O-CD1 3.41Å; L13-L17 WeakPolarHBondContact O-CG 3.09Å; L13-L17 PolarHBondContact O-N 3.32Å; A14-L17 PolarHBondContact O-N 3.25Å
18	T	37	Very low	51.8	Low	97 Å²	97	98.9 Å²	98.9	60%	0.595	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	20.3	169.3	58.3	0	0	0	0	112.8	A14 L15 T20	A14-T18 WeakPolarHBondContact O-CG2 3.31Å; A14-T18 PolarHBondContact O-N 3.09Å; A14-T18 PolarHBondContact O-OG1 2.98Å; L15-T18 WeakPolarHBondContact CA-OG1 3.4Å; L15-T18 PolarHBondContact O-OG1 2.75Å; T18-T20 PolarHBondContact O-N 3.18Å
19	S	35.5	Very low	53.9	Low	88 Å²	88	93.2 Å²	93.2	62%	0.615	56%	0.562	S	S	*	*			trans	-60.7	95.7	155.8	47.9	0	0	0	0	106.3	L16	L16-S19 PolarHBondContact O-OG 3.42Å
20	T	32.9	Very low	55.9	Low	115 Å²	115	89.3 Å²	89.3	71%	0.706	54%	0.537	S	S	*	.			trans	-41.8	128.3	156	46	0	0	0	0	105.5	T18 E22	T18-T20 PolarHBondContact O-N 3.18Å; T20-E22 PolarHBondContact O-N 3.11Å
21	P	36.6	Very low	57.8	Low	101 Å²	101	86 Å²	86	66%	0.656	51%	0.513	S	S	*	.			trans	-47.4	122.1	169.5	20.3	-29.6	0	0	0	105.4	A23 L24	P21-A23 PolarHBondContact O-N 3.3Å; P21-L24 HydrophobicContact CB-CD1 4.44Å
22	E	30.5	Very low	59.7	Low	183 Å²	183	81.6 Å²	81.6	86%	0.855	49%	0.492	S	S	*	.			trans	-37.3	118.6	156.7	-87.5	174.9	145.6	0	0	104.2	T20 L24	T20-E22 PolarHBondContact O-N 3.11Å; E22-L24 VanDerWaalsContact C-N 3.31Å; E22-L24 PolarHBondContact O-N 3.23Å
23	A	31.9	Very low	61.7	Low	95 Å²	95	77.6 Å²	77.6	79%	0.785	47%	0.47	S	S	*	.			trans	-44.7	106.4	-175.3	0	0	0	0	0	105.9	P21 G25	P21-A23 PolarHBondContact O-N 3.3Å; A23-G25 VanDerWaalsContact C-N 3.32Å; A23-G25 PolarHBondContact O-N 3.42Å
24	L	38.4	Very low	63.7	Low	158 Å²	158	73.8 Å²	73.8	83%	0.827	45%	0.451	S	S	*	.			trans	-55.3	112.1	179	-96.1	116.1	0	0	0	102.5	P21 E22 A26	P21-L24 HydrophobicContact CB-CD1 4.44Å; E22-L24 VanDerWaalsContact C-N 3.31Å; E22-L24 PolarHBondContact O-N 3.23Å; L24-A26 PolarHBondContact O-N 3.06Å
25	G	53.5	Low	65.7	Low	48 Å²	48	71.3 Å²	71.3	50%	0.495	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-47.4	134.5	-177.2	0	0	0	0	0	107.3	A23 N27	A23-G25 VanDerWaalsContact C-N 3.32Å; A23-G25 PolarHBondContact O-N 3.42Å; G25-N27 PolarHBondContact O-N 3.47Å
26	A	73.8	Confident	67.8	Low	79 Å²	79	69.7 Å²	69.7	65%	0.653	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-50.3	132.7	177.2	0	0	0	0	0	108.4	L24	L24-A26 PolarHBondContact O-N 3.06Å
27	N	91.3	Very high	70	Confident	72 Å²	72	67.9 Å²	67.9	39%	0.385	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-50.7	136.5	-179.5	-70.1	-29.3	0	0	0	109.5	G25 A264	G25-N27 PolarHBondContact O-N 3.47Å; N27-A264 HydrophobicContact CB-CB 3.89Å; N27-A264 WeakPolarHBondContact CB-O 3.37Å; N27-A264 PolarHBondContact ND2-O 3.45Å; N27-A264 VanDerWaalsContact O-CB 3.23Å; N27-A264 WeakPolarHBondContact O-CB 3.15Å
28	P	95.1	Very high	72.5	Confident	17 Å²	17	61.5 Å²	61.5	11%	0.11	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-69.5	138.7	-179.9	28.2	-34.4	0	0	0	111.2	L30 V31 V233 M246 F247	P28-L30 VanDerWaalsContact C-N 3.32Å; P28-V31 HydrophobicContact CB-CG2 3.96Å; P28-V31 HydrophobicContact CG-CG2 3.47Å; P28-V31 VanDerWaalsContact CG-CG2 3.47Å; P28-V233 HydrophobicContact CB-CG2 4.12Å; P28-M246 HydrophobicContact CB-CB 3.94Å; P28-M246 HydrophobicContact CG-CB 4.18Å; P28-M246 HydrophobicContact CG-CG 4.29Å; P28-M246 HydrophobicContact CG-SD 3.95Å; P28-F247 WeakPolarHBondContact CA-O 3.46Å; P28-F247 VanDerWaalsContact CB-O 3.29Å; P28-F247 WeakPolarHBondContact CB-O 3.28Å
29	G	95.9	Very high	75.4	Confident	0 Å²	0	57 Å²	57	0%	0	35%	0.35	C	S	.	.	S	Bend	trans	-73	-27.2	168.9	0	0	0	0	0	112.4	F247 K248 S282 V285	G29-F247 PolarHBondContact N-O 2.78Å; G29-F247 VanDerWaalsContact N-O 3.17Å; G29-K248 VanDerWaalsContact CA-O 3.23Å; G29-K248 WeakPolarHBondContact CA-O 3.36Å; G29-K248 PolarHBondContact N-O 3.04Å; G29-S282 VanDerWaalsContact CA-OG 3.28Å; G29-S282 WeakPolarHBondContact CA-OG 3.49Å; G29-S282 WeakPolarHBondContact O-CB 3.49Å; G29-S282 PolarHBondContact O-N 3.46Å; G29-S282 PolarHBondContact O-OG 3.27Å; G29-V285 WeakPolarHBondContact O-CG2 3.46Å
30	L	96.9	Very high	78.3	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	136.4	178.2	-177.1	157.8	0	0	0	111	P28 Y230 F247 F279 A280 V281 L450 P451	P28-L30 VanDerWaalsContact C-N 3.32Å; L30-Y230 HydrophobicContact CD1-CE1 3.91Å; L30-F247 HydrophobicContact CB-CB 4.21Å; L30-F247 HydrophobicContact CD2-CB 4.18Å; L30-F247 HydrophobicContact CD2-CD2 3.29Å; L30-F247 HydrophobicContact CD2-CE2 3.83Å; L30-F247 HydrophobicContact CD2-CG 3.94Å; L30-F247 PolarHBondContact N-O 2.56Å; L30-F247 WeakPolarHBondContact O-CB 3.33Å; L30-F247 PolarHBondContact O-N 2.89Å; L30-F279 HydrophobicContact CD2-CD1 4.36Å; L30-A280 CarbonylContact C-O 3.45Å; L30-A280 VanDerWaalsContact CA-O 3.25Å; L30-A280 WeakPolarHBondContact CA-O 3.37Å; L30-V281 HydrophobicContact CD1-CG1 4.44Å; L30-V281 HydrophobicContact CD1-CG2 3.82Å; L30-V281 HydrophobicContact CG-CG2 4.17Å; L30-L450 HydrophobicContact CD1-CD2 4.24Å; L30-P451 HydrophobicContact CD1-CG 4.15Å; L30-P451 HydrophobicContact CD2-CG 3.77Å
31	V	97.2	Very high	81.3	Confident	6 Å²	6	54.7 Å²	54.7	4%	0.036	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	127.6	173.5	-176.4	0	0	0	0	109.5	P28 E244 V245 M246 I267 L269 F279 A280	P28-V31 HydrophobicContact CB-CG2 3.96Å; P28-V31 HydrophobicContact CG-CG2 3.47Å; P28-V31 VanDerWaalsContact CG-CG2 3.47Å; V31-E244 HydrophobicContact CG1-CB 4.4Å; V31-V245 WeakPolarHBondContact CA-O 3.48Å; V31-M246 HydrophobicContact CG1-CG 4.39Å; V31-M246 HydrophobicContact CG2-CG 4.3Å; V31-I267 HydrophobicContact CG2-CD1 4.16Å; V31-L269 HydrophobicContact CB-CD1 4.3Å; V31-L269 HydrophobicContact CG1-CD1 3.78Å; V31-F279 CarbonylContact O-C 3.54Å; V31-F279 WeakPolarHBondContact O-CA 3.23Å; V31-A280 PolarHBondContact N-O 3.27Å; V31-A280 PolarHBondContact O-N 3.22Å
32	A	96.9	Very high	84.2	Confident	9 Å²	9	52 Å²	52	7%	0.074	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126	167.5	0	0	0	0	0	109.5	E244 V245 F247 Y278 F279	A32-E244 CarbonylContact O-C 3.53Å; A32-E244 WeakPolarHBondContact O-CA 3.43Å; A32-V245 PolarHBondContact N-O 3.32Å; A32-V245 PolarHBondContact O-N 3.24Å; A32-F247 HydrophobicContact CB-CE2 3.71Å; A32-Y278 CarbonylContact C-O 3.5Å; A32-Y278 WeakPolarHBondContact CA-O 3.41Å; A32-F279 HydrophobicContact CB-CD1 3.81Å; A32-F279 HydrophobicContact CB-CE1 3.75Å
33	R	96.9	Very high	87.3	Confident	21 Å²	21	43.5 Å²	43.5	8%	0.079	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	117.6	-179.3	173.4	-175.6	-83.2	-174.2	-5.5	109.2	M242 L243 E244 L269 P270 V277 Y278	R33-M242 WeakPolarHBondContact CD-SD 3.21Å; R33-M242 HydrophobicContact CG-CB 4.13Å; R33-M242 HydrophobicContact CG-CG 4.36Å; R33-M242 HydrophobicContact CG-SD 3.88Å; R33-M242 PolarHBondContact NE-SD 3.31Å; R33-M242 VanDerWaalsContact NE-SD 3.43Å; R33-L243 CarbonylContact C-O 3.57Å; R33-L243 WeakPolarHBondContact CA-O 3.41Å; R33-E244 HydrophobicContact CB-CG 4.29Å; R33-E244 HydrophobicContact CG-CG 4.23Å; R33-E244 IonicContact CZ-OE1 3.76Å; R33-E244 VanDerWaalsContact CZ-OE1 3.24Å; R33-E244 IonicContact NE-OE1 2.68Å; R33-E244 PolarHBondContact NE-OE1 3.34Å; R33-E244 IonicContact NH2-OE1 3.68Å; R33-E244 PolarHBondContact NH2-OE1 2.76Å; R33-L269 HydrophobicContact CB-CD1 4.39Å; R33-L269 VanDerWaalsContact CZ-CD1 3.46Å; R33-L269 VanDerWaalsContact NH1-CB 3.27Å; R33-P270 PolarHBondContact NH1-O 3.46Å; R33-V277 CarbonylContact O-C 3.59Å; R33-V277 VanDerWaalsContact O-CA 3.28Å; R33-V277 WeakPolarHBondContact O-CA 3.29Å; R33-Y278 PolarHBondContact N-O 2.8Å; R33-Y278 PolarHBondContact O-N 2.76Å
34	T	97.3	Very high	90.3	Very high	33 Å²	33	43.6 Å²	43.6	20%	0.202	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	128.1	173.2	-50.5	0	0	0	0	108.9	L39 M242 L243	T34-L39 HydrophobicContact CG2-CD2 4.07Å; T34-L39 HydrophobicContact CG2-CG 4.07Å; T34-M242 CarbonylContact O-C 3.57Å; T34-M242 VanDerWaalsContact O-CA 3.29Å; T34-M242 WeakPolarHBondContact O-CA 3.41Å; T34-M242 WeakPolarHBondContact O-CB 3.24Å; T34-L243 PolarHBondContact N-O 3.37Å; T34-L243 PolarHBondContact O-N 3.03Å
35	T	96.8	Very high	93	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.22	C	C	.	.			trans	-84	173.1	178.1	58.3	0	0	0	0	111.7	K37 G38 L39 K275 M276 Y278	T35-K37 PolarHBondContact O-N 3.43Å; T35-K37 PolarHBondContact OG1-N 2.64Å; T35-G38 WeakPolarHBondContact O-CA 3.25Å; T35-G38 PolarHBondContact O-N 3.15Å; T35-G38 PolarHBondContact OG1-N 3.36Å; T35-L39 WeakPolarHBondContact O-CG 3.48Å; T35-L39 PolarHBondContact O-N 2.88Å; T35-K275 WeakPolarHBondContact CG2-O 3.45Å; T35-K275 PolarHBondContact OG1-O 2.95Å; T35-M276 PolarHBondContact N-O 3.32Å; T35-M276 WeakPolarHBondContact OG1-CA 3.32Å; T35-M276 PolarHBondContact OG1-O 2.8Å; T35-Y278 HydrophobicContact CG2-CD2 3.94Å; T35-Y278 HydrophobicContact CG2-CE2 3.59Å
36	D	94.8	Very high	94.9	Very high	81 Å²	81	37.2 Å²	37.2	43%	0.433	22%	0.215	S	C	.	.	H	α-helix	trans	-49.7	-44.4	166.6	60.1	-17.7	0	0	0	112.6	G38 L39 E40 Q241	D36-G38 VanDerWaalsContact C-N 3.32Å; D36-G38 PolarHBondContact O-N 3.3Å; D36-L39 PolarHBondContact O-N 3.2Å; D36-E40 WeakPolarHBondContact O-CB 3.38Å; D36-E40 PolarHBondContact O-N 2.94Å; D36-Q241 PolarHBondContact N-O 3.45Å
37	K	96.1	Very high	95.9	Very high	81 Å²	81	34.2 Å²	34.2	35%	0.352	19%	0.188	S	C	.	.	H	α-helix	trans	-60.5	-39.9	175.3	-174.1	-178.8	174.2	-179.8	0	112.3	T35 Y41 N274 M276	T35-K37 PolarHBondContact O-N 3.43Å; T35-K37 PolarHBondContact OG1-N 2.64Å; K37-Y41 PolarHBondContact O-N 3.04Å; K37-Y41 VanDerWaalsContact O-N 3.14Å; K37-N274 PolarHBondContact NZ-O 3.05Å; K37-M276 HydrophobicContact CD-CG 4.27Å; K37-M276 HydrophobicContact CG-CE 4.49Å; K37-M276 HydrophobicContact CG-CG 3.96Å
38	G	97.4	Very high	96	Very high	7 Å²	7	34.4 Å²	34.4	7%	0.072	19%	0.189	C	C	.	.	H	α-helix	trans	-69.8	-39.3	175.3	0	0	0	0	0	112.9	T35 D36 Y41 A42	T35-G38 WeakPolarHBondContact O-CA 3.25Å; T35-G38 PolarHBondContact O-N 3.15Å; T35-G38 PolarHBondContact OG1-N 3.36Å; D36-G38 VanDerWaalsContact C-N 3.32Å; D36-G38 PolarHBondContact O-N 3.3Å; G38-Y41 PolarHBondContact O-N 2.84Å; G38-A42 PolarHBondContact O-N 2.77Å
39	L	96.9	Very high	95.8	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-68.2	-37.1	175.9	-67.4	174.7	0	0	0	111.9	T34 T35 D36 A42 A43 L93 P95 L101 L243	T34-L39 HydrophobicContact CG2-CD2 4.07Å; T34-L39 HydrophobicContact CG2-CG 4.07Å; T35-L39 WeakPolarHBondContact O-CG 3.48Å; T35-L39 PolarHBondContact O-N 2.88Å; D36-L39 PolarHBondContact O-N 3.2Å; L39-A42 PolarHBondContact O-N 2.82Å; L39-A43 WeakPolarHBondContact O-CB 3.24Å; L39-A43 PolarHBondContact O-N 3.25Å; L39-L93 HydrophobicContact CB-CB 4.46Å; L39-L93 HydrophobicContact CB-CD2 4.4Å; L39-L93 HydrophobicContact CD2-CD2 4.03Å; L39-L93 HydrophobicContact CD2-CG 4.48Å; L39-P95 HydrophobicContact CD1-CB 4.46Å; L39-P95 HydrophobicContact CD1-CG 4.24Å; L39-L101 HydrophobicContact CD1-CD2 4.34Å; L39-L101 HydrophobicContact CD2-CD1 4.35Å; L39-L101 HydrophobicContact CD2-CD2 4.2Å; L39-L243 HydrophobicContact CD2-CB 4.39Å; L39-L243 HydrophobicContact CD2-CD2 4.44Å
40	E	96.1	Very high	95.8	Very high	111 Å²	111	37.4 Å²	37.4	52%	0.519	21%	0.212	S	C	.	.	H	α-helix	trans	-62.3	-45	173.2	-173.9	176.3	-166.1	0	0	111.1	D36 A42 A43 Q44	D36-E40 WeakPolarHBondContact O-CB 3.38Å; D36-E40 PolarHBondContact O-N 2.94Å; E40-A42 PolarHBondContact O-N 2.94Å; E40-A43 WeakPolarHBondContact O-CB 3.44Å; E40-A43 PolarHBondContact O-N 3.33Å; E40-Q44 WeakPolarHBondContact O-CG 3.29Å; E40-Q44 PolarHBondContact O-N 3.07Å
41	Y	97	Very high	95.7	Very high	42 Å²	42	40 Å²	40	17%	0.165	22%	0.224	C	C	.	.	H	α-helix	trans	-60.8	-44.1	173.8	-178.2	-106.5	0	0	0	112.2	K37 G38 A43 Q44 E45 M276 V476 Y478	K37-Y41 PolarHBondContact O-N 3.04Å; K37-Y41 VanDerWaalsContact O-N 3.14Å; G38-Y41 PolarHBondContact O-N 2.84Å; Y41-A43 VanDerWaalsContact C-N 3.3Å; Y41-A43 PolarHBondContact O-N 3.08Å; Y41-Q44 PolarHBondContact O-N 3.49Å; Y41-E45 HydrophobicContact CE1-CG 4.02Å; Y41-E45 HydrophobicContact CE2-CG 4.15Å; Y41-E45 PolarHBondContact O-N 2.98Å; Y41-E45 VanDerWaalsContact O-N 3.1Å; Y41-E45 PolarHBondContact OH-OE1 3.11Å; Y41-M276 HydrophobicContact CD1-SD 4.14Å; Y41-M276 HydrophobicContact CD2-CE 3.96Å; Y41-M276 HydrophobicContact CG-CE 3.81Å; Y41-M276 HydrophobicContact CG-SD 3.93Å; Y41-V476 HydrophobicContact CD1-CB 4.45Å; Y41-V476 HydrophobicContact CD1-CG1 4.34Å; Y41-V476 HydrophobicContact CE1-CB 4.49Å; Y41-V476 HydrophobicContact CE1-CG1 4.08Å; Y41-Y478 PolarHBondContact OH-N 3.22Å
42	A	96.8	Very high	95.5	Very high	45 Å²	45	43.1 Å²	43.1	37%	0.372	25%	0.246	S	C	.	.	H	α-helix	trans	-61.8	-37.9	175.6	0	0	0	0	0	112.3	G38 L39 E40 G46 L93	G38-A42 PolarHBondContact O-N 2.77Å; L39-A42 PolarHBondContact O-N 2.82Å; E40-A42 PolarHBondContact O-N 2.94Å; A42-G46 PolarHBondContact O-N 3.07Å; A42-L93 HydrophobicContact CB-CD2 4.25Å
43	A	96.6	Very high	95.4	Very high	5 Å²	5	44.3 Å²	44.3	4%	0.041	25%	0.251	C	S	.	.	H	α-helix	trans	-61.8	-45.1	175.3	0	0	0	0	0	111.3	L39 E40 Y41 G46 L47 L93	L39-A43 WeakPolarHBondContact O-CB 3.24Å; L39-A43 PolarHBondContact O-N 3.25Å; E40-A43 WeakPolarHBondContact O-CB 3.44Å; E40-A43 PolarHBondContact O-N 3.33Å; Y41-A43 VanDerWaalsContact C-N 3.3Å; Y41-A43 PolarHBondContact O-N 3.08Å; A43-G46 PolarHBondContact O-N 3.17Å; A43-L47 VanDerWaalsContact O-CB 3.31Å; A43-L47 WeakPolarHBondContact O-CB 3.5Å; A43-L47 PolarHBondContact O-N 2.79Å; A43-L93 HydrophobicContact CB-CB 3.75Å
44	Q	95.1	Very high	95.2	Very high	96 Å²	96	43.4 Å²	43.4	45%	0.449	25%	0.247	S	C	.	.	H	α-helix	trans	-62.8	-47.5	179.5	-69.7	173.7	4.8	0	0	112.4	E40 Y41 L47 L48	E40-Q44 WeakPolarHBondContact O-CG 3.29Å; E40-Q44 PolarHBondContact O-N 3.07Å; Y41-Q44 PolarHBondContact O-N 3.49Å; Q44-L47 WeakPolarHBondContact O-CB 3.46Å; Q44-L47 PolarHBondContact O-N 2.87Å; Q44-L48 PolarHBondContact O-N 2.96Å
45	E	94.7	Very high	95.2	Very high	34 Å²	34	44.9 Å²	44.9	16%	0.159	25%	0.254	C	S	.	.	H	α-helix	trans	-66.7	-39.3	177.1	-67.3	-61.7	147.9	0	0	111.7	Y41 L47 L48 A49 Y478 R480	Y41-E45 HydrophobicContact CE1-CG 4.02Å; Y41-E45 HydrophobicContact CE2-CG 4.15Å; Y41-E45 PolarHBondContact O-N 2.98Å; Y41-E45 VanDerWaalsContact O-N 3.1Å; Y41-E45 PolarHBondContact OH-OE1 3.11Å; E45-L47 VanDerWaalsContact C-N 3.32Å; E45-L47 PolarHBondContact O-N 2.78Å; E45-L48 PolarHBondContact O-N 2.87Å; E45-A49 PolarHBondContact O-N 3.46Å; E45-Y478 HydrophobicContact CG-CD1 4.4Å; E45-R480 IonicContact OE1-CZ 2.79Å; E45-R480 IonicContact OE1-NE 3.31Å; E45-R480 IonicContact OE1-NH2 2.79Å; E45-R480 PolarHBondContact OE1-NH2 3.42Å; E45-R480 IonicContact OE2-CZ 3Å; E45-R480 IonicContact OE2-NE 2.81Å; E45-R480 PolarHBondContact OE2-NE 3.48Å; E45-R480 IonicContact OE2-NH2 3.9Å; E45-R480 PolarHBondContact OE2-NH2 3.45Å
46	G	93.7	Very high	95.1	Very high	38 Å²	38	52.9 Å²	52.9	39%	0.392	28%	0.284	S	S	.	.	H	α-helix	trans	-63.6	-35.7	175.2	0	0	0	0	0	113.1	A42 A43 L48 A49 L50	A42-G46 PolarHBondContact O-N 3.07Å; A43-G46 PolarHBondContact O-N 3.17Å; G46-L48 PolarHBondContact O-N 3.48Å; G46-A49 PolarHBondContact O-N 2.94Å; G46-L50 WeakPolarHBondContact O-CB 3.26Å; G46-L50 PolarHBondContact O-N 3.34Å
47	L	94.1	Very high	95.1	Very high	16 Å²	16	49.4 Å²	49.4	8%	0.084	27%	0.265	C	S	.	.	H	α-helix	trans	-62.4	-42	179.4	-162.4	66.4	0	0	0	112	A43 Q44 E45 L50 Q51 L88 I105	A43-L47 VanDerWaalsContact O-CB 3.31Å; A43-L47 WeakPolarHBondContact O-CB 3.5Å; A43-L47 PolarHBondContact O-N 2.79Å; Q44-L47 WeakPolarHBondContact O-CB 3.46Å; Q44-L47 PolarHBondContact O-N 2.87Å; E45-L47 VanDerWaalsContact C-N 3.32Å; E45-L47 PolarHBondContact O-N 2.78Å; L47-L50 PolarHBondContact O-N 2.94Å; L47-Q51 WeakPolarHBondContact O-CB 3.32Å; L47-Q51 PolarHBondContact O-N 2.88Å; L47-L88 HydrophobicContact CD1-CB 3.53Å; L47-L88 HydrophobicContact CD1-CD1 3.61Å; L47-L88 HydrophobicContact CD1-CG 4.21Å; L47-L88 HydrophobicContact CD2-CB 3.97Å; L47-L88 WeakPolarHBondContact CD2-O 3.24Å; L47-L88 HydrophobicContact CG-CB 3.65Å; L47-L88 HydrophobicContact CG-CD1 4.15Å; L47-I105 HydrophobicContact CD1-CD1 3.63Å; L47-I105 HydrophobicContact CD1-CG1 3.91Å; L47-I105 HydrophobicContact CD1-CG2 4.23Å
48	L	92.8	Very high	95	Very high	77 Å²	77	50.5 Å²	50.5	40%	0.403	28%	0.279	S	S	.	.	H	α-helix	trans	-66.4	-40.9	178.9	-65.4	171.7	0	0	0	112	Q44 E45 G46 S52 R480	Q44-L48 PolarHBondContact O-N 2.96Å; E45-L48 PolarHBondContact O-N 2.87Å; G46-L48 PolarHBondContact O-N 3.48Å; L48-S52 PolarHBondContact O-N 3.27Å; L48-S52 PolarHBondContact O-OG 3.05Å; L48-R480 VanDerWaalsContact CD1-CZ 3.4Å
49	A	92.7	Very high	95	Very high	61 Å²	61	50.9 Å²	50.9	50%	0.504	28%	0.279	S	S	.	.	H	α-helix	trans	-64.3	-46.6	174.1	0	0	0	0	0	111	E45 G46 Q51 S52 E53	E45-A49 PolarHBondContact O-N 3.46Å; G46-A49 PolarHBondContact O-N 2.94Å; A49-Q51 PolarHBondContact O-N 3.47Å; A49-S52 WeakPolarHBondContact O-CB 3.35Å; A49-S52 PolarHBondContact O-N 2.96Å; A49-E53 PolarHBondContact O-N 3.26Å
50	L	94.6	Very high	95	Very high	18 Å²	18	53.1 Å²	53.1	9%	0.094	29%	0.294	C	S	.	.	H	α-helix	trans	-63.4	-41.5	179.8	-180	59.9	0	0	0	112.3	G46 L47 S52 E53 L54 L88 I105 I201	G46-L50 WeakPolarHBondContact O-CB 3.26Å; G46-L50 PolarHBondContact O-N 3.34Å; L47-L50 PolarHBondContact O-N 2.94Å; L50-S52 PolarHBondContact O-N 3.38Å; L50-E53 PolarHBondContact O-N 3.38Å; L50-L54 HydrophobicContact CD1-CD2 4.31Å; L50-L54 HydrophobicContact CD1-CG 4.19Å; L50-L54 HydrophobicContact CG-CD1 4.3Å; L50-L54 HydrophobicContact CG-CG 4.23Å; L50-L54 WeakPolarHBondContact O-CG 3.34Å; L50-L54 PolarHBondContact O-N 2.9Å; L50-L88 HydrophobicContact CB-CD1 4.38Å; L50-L88 HydrophobicContact CD2-CD1 4.16Å; L50-L88 HydrophobicContact CG-CD1 4.12Å; L50-I105 HydrophobicContact CD2-CD1 3.81Å; L50-I201 HydrophobicContact CD1-CG1 3.75Å; L50-I201 HydrophobicContact CD2-CD1 4.45Å; L50-I201 HydrophobicContact CD2-CG1 4.11Å
51	Q	95	Very high	95	Very high	54 Å²	54	51.9 Å²	51.9	25%	0.252	29%	0.29	S	S	.	.	H	α-helix	trans	-56.2	-39.9	177	-174.6	173.4	-61.7	0	0	111.5	L47 A49 E53 L54 L55 C86 L88	L47-Q51 WeakPolarHBondContact O-CB 3.32Å; L47-Q51 PolarHBondContact O-N 2.88Å; A49-Q51 PolarHBondContact O-N 3.47Å; Q51-E53 VanDerWaalsContact C-N 3.34Å; Q51-E53 PolarHBondContact O-N 3.2Å; Q51-L54 PolarHBondContact O-N 2.98Å; Q51-L55 WeakPolarHBondContact O-CG 3.23Å; Q51-L55 PolarHBondContact O-N 3.39Å; Q51-C86 HydrophobicContact CG-CB 4.28Å; Q51-C86 WeakPolarHBondContact CG-O 3.37Å; Q51-C86 PolarHBondContact NE2-O 3.39Å; Q51-C86 VanDerWaalsContact NE2-O 3.16Å; Q51-L88 HydrophobicContact CB-CD1 4.1Å; Q51-L88 HydrophobicContact CB-CG 4.3Å; Q51-L88 VanDerWaalsContact OE1-N 3.13Å
52	S	92.8	Very high	95	Very high	72 Å²	72	50.8 Å²	50.8	50%	0.503	29%	0.287	S	S	.	.	H	α-helix	trans	-65.8	-35.6	177.5	-58	0	0	0	0	112.5	L48 A49 L50	L48-S52 PolarHBondContact O-N 3.27Å; L48-S52 PolarHBondContact O-OG 3.05Å; A49-S52 WeakPolarHBondContact O-CB 3.35Å; A49-S52 PolarHBondContact O-N 2.96Å; L50-S52 PolarHBondContact O-N 3.38Å
53	E	94.4	Very high	95	Very high	35 Å²	35	53.2 Å²	53.2	16%	0.164	30%	0.297	C	S	.	.	H	α-helix	trans	-75.9	-36.6	177.1	-71.4	-57.6	123.9	0	0	112.6	A49 L50 Q51 L55 R56 M200	A49-E53 PolarHBondContact O-N 3.26Å; L50-E53 PolarHBondContact O-N 3.38Å; Q51-E53 VanDerWaalsContact C-N 3.34Å; Q51-E53 PolarHBondContact O-N 3.2Å; E53-L55 VanDerWaalsContact C-N 3.27Å; E53-L55 PolarHBondContact O-N 3.05Å; E53-R56 WeakPolarHBondContact O-CB 3.23Å; E53-R56 PolarHBondContact O-N 2.78Å; E53-R56 IonicContact OE1-NH1 3.36Å; E53-R56 PolarHBondContact OE1-NH1 2.94Å; E53-R56 IonicContact OE2-NH1 3.66Å; E53-M200 HydrophobicContact CB-CG 4.08Å; E53-M200 HydrophobicContact CB-SD 4.04Å; E53-M200 WeakPolarHBondContact O-CE 3.44Å
54	L	94.4	Very high	94.9	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-63.3	-31.3	176.4	-67	-177.6	0	0	0	112.9	L50 Q51 R56 I57 L88 I197 M200	L50-L54 HydrophobicContact CD1-CD2 4.31Å; L50-L54 HydrophobicContact CD1-CG 4.19Å; L50-L54 HydrophobicContact CG-CD1 4.3Å; L50-L54 HydrophobicContact CG-CG 4.23Å; L50-L54 WeakPolarHBondContact O-CG 3.34Å; L50-L54 PolarHBondContact O-N 2.9Å; Q51-L54 PolarHBondContact O-N 2.98Å; L54-R56 PolarHBondContact O-N 3.45Å; L54-R56 VanDerWaalsContact O-N 3.16Å; L54-I57 HydrophobicContact CB-CD1 4.35Å; L54-I57 HydrophobicContact CD2-CD1 3.65Å; L54-I57 WeakPolarHBondContact O-CB 3.22Å; L54-I57 WeakPolarHBondContact O-CG1 3.38Å; L54-I57 PolarHBondContact O-N 3.12Å; L54-L88 HydrophobicContact CD1-CD1 3.92Å; L54-L88 HydrophobicContact CD1-CD2 3.95Å; L54-L88 HydrophobicContact CD1-CG 4.36Å; L54-I197 HydrophobicContact CD2-CG1 4.48Å; L54-I197 HydrophobicContact CD2-CG2 4.32Å; L54-M200 HydrophobicContact CD2-CB 4.06Å; L54-M200 HydrophobicContact CD2-CG 4.02Å
55	L	95.6	Very high	94.8	Very high	65 Å²	65	55.4 Å²	55.4	34%	0.34	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-19	172.4	-69.6	174.7	0	0	0	113	Q51 E53 I83 C86	Q51-L55 WeakPolarHBondContact O-CG 3.23Å; Q51-L55 PolarHBondContact O-N 3.39Å; E53-L55 VanDerWaalsContact C-N 3.27Å; E53-L55 PolarHBondContact O-N 3.05Å; L55-I83 HydrophobicContact CD2-CG2 3.87Å; L55-C86 HydrophobicContact CD2-CB 3.69Å; L55-C86 HydrophobicContact CG-CB 4.21Å
56	R	94.6	Very high	94.6	Very high	168 Å²	168	54.4 Å²	54.4	63%	0.634	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	1.7	-178	-49.3	175.3	88.4	164	7	112.8	E53 L54 T58 M200	E53-R56 WeakPolarHBondContact O-CB 3.23Å; E53-R56 PolarHBondContact O-N 2.78Å; E53-R56 IonicContact OE1-NH1 3.36Å; E53-R56 PolarHBondContact OE1-NH1 2.94Å; E53-R56 IonicContact OE2-NH1 3.66Å; L54-R56 PolarHBondContact O-N 3.45Å; L54-R56 VanDerWaalsContact O-N 3.16Å; R56-T58 PolarHBondContact O-N 2.64Å; R56-M200 HydrophobicContact CB-CE 4.33Å
57	I	96	Very high	94.2	Very high	8 Å²	8	62.8 Å²	62.8	4%	0.041	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-61.9	133.1	177.1	-76.2	170	0	0	0	110	L54 L59 I83 R196 I197 M200	L54-I57 HydrophobicContact CB-CD1 4.35Å; L54-I57 HydrophobicContact CD2-CD1 3.65Å; L54-I57 WeakPolarHBondContact O-CB 3.22Å; L54-I57 WeakPolarHBondContact O-CG1 3.38Å; L54-I57 PolarHBondContact O-N 3.12Å; I57-L59 HydrophobicContact CG2-CD2 4.04Å; I57-L59 HydrophobicContact CG2-CG 4.23Å; I57-I83 HydrophobicContact CB-CD1 3.67Å; I57-I83 HydrophobicContact CD1-CD1 4.46Å; I57-I83 HydrophobicContact CG2-CD1 3.71Å; I57-R196 HydrophobicContact CD1-CB 4.33Å; I57-R196 HydrophobicContact CG1-CB 4.48Å; I57-R196 HydrophobicContact CG2-CB 3.61Å; I57-R196 HydrophobicContact CG2-CG 4.09Å; I57-I197 HydrophobicContact CD1-CG1 4.17Å; I57-M200 HydrophobicContact CD1-CB 4.07Å; I57-M200 HydrophobicContact CG1-CB 3.99Å; I57-M200 HydrophobicContact CG1-CE 3.89Å; I57-M200 HydrophobicContact CG1-CG 4.24Å
58	T	93.9	Very high	93.8	Very high	104 Å²	104	62.6 Å²	62.6	64%	0.638	33%	0.332	S	S	*	.	B	Isolated β-bridge	trans	-100.7	124.8	172.7	52	0	0	0	0	110.2	R56 R196	R56-T58 PolarHBondContact O-N 2.64Å; T58-R196 PolarHBondContact O-NE 3.23Å
59	L	96.4	Very high	93.3	Very high	14 Å²	14	61.9 Å²	61.9	7%	0.073	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-101.1	138.3	178.5	-65.6	172.4	0	0	0	109.6	I57 L81 I83 V112 F189 V192 L193 R196	I57-L59 HydrophobicContact CG2-CD2 4.04Å; I57-L59 HydrophobicContact CG2-CG 4.23Å; L59-L81 HydrophobicContact CB-CB 3.68Å; L59-L81 HydrophobicContact CB-CD2 4.19Å; L59-L81 HydrophobicContact CD1-CB 4.12Å; L59-L81 HydrophobicContact CD1-CD2 4.23Å; L59-I83 HydrophobicContact CD1-CD1 4.35Å; L59-I83 HydrophobicContact CD1-CG1 4.24Å; L59-V112 HydrophobicContact CD1-CG1 3.74Å; L59-V112 HydrophobicContact CD1-CG2 3.96Å; L59-F189 HydrophobicContact CD1-CE2 4.09Å; L59-V192 HydrophobicContact CD2-CG1 4.11Å; L59-L193 HydrophobicContact CD2-CD1 4.2Å; L59-R196 HydrophobicContact CD2-CG 4.33Å
60	P	96.9	Very high	92.8	Very high	51 Å²	51	68.9 Å²	68.9	33%	0.331	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-72.3	159.9	177.5	33.4	-35.4	0	0	0	111.2	F62 V192	P60-F62 HydrophobicContact CG-CZ 4.36Å; P60-F62 WeakPolarHBondContact O-CD2 3.35Å; P60-F62 VanDerWaalsContact O-CE2 3.31Å; P60-F62 WeakPolarHBondContact O-CE2 3.36Å; P60-V192 VanDerWaalsContact CD-CG1 3.42Å; P60-V192 HydrophobicContact CG-CG1 3.73Å; P60-V192 HydrophobicContact CG-CG2 4.35Å
61	D	97.3	Very high	92.2	Very high	85 Å²	85	69.2 Å²	69.2	46%	0.455	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-74.5	146.2	170.4	-63.8	-13.2	0	0	0	110.5	F78 R79 S80	D61-F78 CarbonylContact C-O 3.56Å; D61-F78 VanDerWaalsContact CA-O 3.26Å; D61-F78 WeakPolarHBondContact CA-O 3.45Å; D61-F78 WeakPolarHBondContact CB-O 3.33Å; D61-R79 HydrophobicContact CB-CB 4.21Å; D61-R79 VanDerWaalsContact CG-CB 3.47Å; D61-R79 WeakPolarHBondContact OD1-CA 3.33Å; D61-R79 WeakPolarHBondContact OD1-CB 3.25Å; D61-R79 WeakPolarHBondContact OD2-CB 3.41Å; D61-S80 PolarHBondContact OD1-N 3.39Å
62	F	97.1	Very high	91.7	Very high	19 Å²	19	68.1 Å²	68.1	8%	0.083	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	115.3	176.2	-60.3	-92.9	0	0	0	110	P60 E77 F78 L81 I185 K188 F189 V192	P60-F62 HydrophobicContact CG-CZ 4.36Å; P60-F62 WeakPolarHBondContact O-CD2 3.35Å; P60-F62 VanDerWaalsContact O-CE2 3.31Å; P60-F62 WeakPolarHBondContact O-CE2 3.36Å; F62-E77 CarbonylContact O-C 3.52Å; F62-E77 WeakPolarHBondContact O-CA 3.45Å; F62-F78 HydrophobicContact CB-CB 4.28Å; F62-F78 PolarHBondContact N-O 3.23Å; F62-F78 PolarHBondContact O-N 3.04Å; F62-L81 HydrophobicContact CD2-CD1 4.4Å; F62-L81 HydrophobicContact CD2-CD2 4.12Å; F62-L81 HydrophobicContact CE2-CD2 3.75Å; F62-I185 HydrophobicContact CB-CG2 4.02Å; F62-I185 HydrophobicContact CD1-CG2 3.95Å; F62-I185 HydrophobicContact CD2-CG2 4.24Å; F62-I185 HydrophobicContact CG-CG2 3.8Å; F62-K188 HydrophobicContact CD1-CB 4.32Å; F62-K188 HydrophobicContact CE1-CB 3.93Å; F62-F189 HydrophobicContact CE1-CB 4.39Å; F62-F189 HydrophobicContact CE2-CB 4.45Å; F62-F189 HydrophobicContact CE2-CD2 4.1Å; F62-F189 HydrophobicContact CZ-CB 3.99Å; F62-F189 HydrophobicContact CZ-CD2 4.22Å; F62-V192 HydrophobicContact CE1-CG2 4.46Å; F62-V192 HydrophobicContact CZ-CB 4.44Å; F62-V192 HydrophobicContact CZ-CG2 4.4Å
63	T	96.4	Very high	91.6	Very high	97 Å²	97	75.2 Å²	75.2	60%	0.595	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124	149.8	-178	59.4	0	0	0	0	111.6	Y76 E77	T63-Y76 WeakPolarHBondContact CA-O 3.28Å; T63-E77 HydrophobicContact CG2-CB 4.12Å; T63-E77 HydrophobicContact CG2-CG 3.94Å
64	G	94.5	Very high	91.4	Very high	24 Å²	24	74 Å²	74	25%	0.247	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.1	-171.5	173.7	0	0	0	0	0	113.5	S75 Y76	G64-S75 CarbonylContact O-C 3.57Å; G64-S75 WeakPolarHBondContact O-CA 3.23Å; G64-Y76 VanDerWaalsContact C-CD1 3.44Å; G64-Y76 VanDerWaalsContact CA-CE1 3.5Å; G64-Y76 PolarHBondContact N-O 3.49Å; G64-Y76 VanDerWaalsContact N-O 3.15Å; G64-Y76 WeakPolarHBondContact O-CD1 3.5Å; G64-Y76 PolarHBondContact O-N 2.83Å
65	D	92.6	Very high	91.4	Very high	123 Å²	123	76.3 Å²	76.3	66%	0.658	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	144.1	175.8	-65.4	-45.6	0	0	0	111.1	G74	D65-G74 WeakPolarHBondContact CA-O 3.5Å
66	V	90.3	Very high	91.4	Very high	12 Å²	12	73.6 Å²	73.6	7%	0.073	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	146.1	177.3	60.4	0	0	0	0	111.5	I68 R73 G74 Y76 W176 L180	V66-I68 HydrophobicContact CG1-CG1 4.05Å; V66-R73 CarbonylContact O-C 3.53Å; V66-R73 WeakPolarHBondContact O-CA 3.43Å; V66-G74 PolarHBondContact N-O 3.16Å; V66-G74 PolarHBondContact O-N 2.86Å; V66-Y76 HydrophobicContact CB-CD1 3.91Å; V66-Y76 HydrophobicContact CG1-CD1 4.13Å; V66-W176 HydrophobicContact CG1-CZ3 4.23Å; V66-W176 HydrophobicContact CG2-CE3 4.19Å; V66-W176 HydrophobicContact CG2-CZ3 3.73Å; V66-L180 HydrophobicContact CB-CD1 4.01Å; V66-L180 HydrophobicContact CB-CD2 4.05Å; V66-L180 HydrophobicContact CG1-CD2 4.48Å; V66-L180 HydrophobicContact CG2-CD1 3.71Å; V66-L180 HydrophobicContact CG2-CD2 3.93Å; V66-L180 HydrophobicContact CG2-CG 4.29Å
67	R	86.7	Confident	91.5	Very high	214 Å²	214	67.4 Å²	67.4	81%	0.808	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	104.4	167.1	-172.1	175.5	-178	157.1	-0.2	108.9	G72	R67-G72 CarbonylContact C-O 3.54Å
68	I	84.4	Confident	91.5	Very high	12 Å²	12	67.1 Å²	67.1	6%	0.062	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	130	-179.8	-52.1	172.5	0	0	0	108.7	V66 H70 A71 G72 V118 K120 W176	V66-I68 HydrophobicContact CG1-CG1 4.05Å; I68-H70 PolarHBondContact O-N 2.72Å; I68-A71 HydrophobicContact CB-CB 3.96Å; I68-A71 HydrophobicContact CG2-CB 3.86Å; I68-A71 CarbonylContact O-C 3.56Å; I68-A71 PolarHBondContact O-N 2.83Å; I68-A71 VanDerWaalsContact O-N 3.09Å; I68-G72 PolarHBondContact N-O 2.89Å; I68-G72 PolarHBondContact O-N 2.78Å; I68-V118 HydrophobicContact CD1-CG1 3.63Å; I68-V118 HydrophobicContact CG1-CG1 4.4Å; I68-K120 HydrophobicContact CD1-CB 4.14Å; I68-W176 HydrophobicContact CG1-CH2 4.01Å; I68-W176 HydrophobicContact CG1-CZ2 4.49Å; I68-W176 HydrophobicContact CG1-CZ3 4.3Å; I68-W176 HydrophobicContact CG2-CH2 4.3Å; I68-W176 HydrophobicContact CG2-CZ2 3.96Å
69	P	82.6	Confident	91.6	Very high	63 Å²	63	65.4 Å²	65.4	41%	0.409	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	134.4	176.4	-25.5	34.3	0	0	0	111.7	A71 W176	P69-A71 PolarHBondContact O-N 2.83Å; P69-W176 HydrophobicContact CG-CB 3.61Å; P69-W176 HydrophobicContact CG-CD2 4.49Å; P69-W176 HydrophobicContact CG-CG 3.8Å
70	H	82.7	Confident	91.6	Very high	208 Å²	208	68.4 Å²	68.4	96%	0.963	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	-0.8	-177.8	-47.8	-72.2	0	0	0	116.1	I68	I68-H70 PolarHBondContact O-N 2.72Å
71	A	80.9	Confident	91.6	Very high	25 Å²	25	66.6 Å²	66.6	21%	0.207	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.9	-3.3	-178.3	0	0	0	0	0	113.3	I68 P69 K120	I68-A71 HydrophobicContact CB-CB 3.96Å; I68-A71 HydrophobicContact CG2-CB 3.86Å; I68-A71 CarbonylContact O-C 3.56Å; I68-A71 PolarHBondContact O-N 2.83Å; I68-A71 VanDerWaalsContact O-N 3.09Å; P69-A71 PolarHBondContact O-N 2.83Å; A71-K120 HydrophobicContact CB-CD 4.13Å; A71-K120 WeakPolarHBondContact O-CD 3.15Å; A71-K120 WeakPolarHBondContact O-CE 3.35Å; A71-K120 PolarHBondContact O-NZ 2.85Å
72	G	85.5	Confident	91.5	Very high	31 Å²	31	66.8 Å²	66.8	32%	0.32	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	73	-156.2	174.2	0	0	0	0	0	113.8	R67 I68	R67-G72 CarbonylContact C-O 3.54Å; I68-G72 PolarHBondContact N-O 2.89Å; I68-G72 PolarHBondContact O-N 2.78Å
73	R	89.8	Confident	91.5	Very high	221 Å²	221	66 Å²	66	83%	0.834	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	140.7	-172.7	-66.6	-174.1	-169.5	179.8	3.1	112.6	V66 K120	V66-R73 CarbonylContact O-C 3.53Å; V66-R73 WeakPolarHBondContact O-CA 3.43Å; R73-K120 WeakPolarHBondContact O-CG 3.32Å
74	G	91.4	Very high	91.4	Very high	10 Å²	10	64.9 Å²	64.9	10%	0.103	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	-175.5	170.3	0	0	0	0	0	110.3	D65 V66 R119	D65-G74 WeakPolarHBondContact CA-O 3.5Å; V66-G74 PolarHBondContact N-O 3.16Å; V66-G74 PolarHBondContact O-N 2.86Å; G74-R119 CarbonylContact C-O 3.49Å; G74-R119 VanDerWaalsContact CA-O 3.28Å; G74-R119 WeakPolarHBondContact CA-O 3.27Å
75	S	93.8	Very high	91.4	Very high	49 Å²	49	65.8 Å²	65.8	34%	0.343	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	150.8	175.6	58.6	0	0	0	0	111.7	G64 V118 R119	G64-S75 CarbonylContact O-C 3.57Å; G64-S75 WeakPolarHBondContact O-CA 3.23Å; S75-V118 CarbonylContact O-C 3.57Å; S75-V118 WeakPolarHBondContact O-CA 3.49Å; S75-R119 PolarHBondContact N-O 3.4Å; S75-R119 PolarHBondContact O-N 3.21Å
76	Y	94.8	Very high	91.6	Very high	8 Å²	8	60.2 Å²	60.2	3%	0.031	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	156.3	176.7	71.9	-95.4	0	0	0	111.6	T63 G64 V66 F78 K117 L180 Q184 I185	T63-Y76 WeakPolarHBondContact CA-O 3.28Å; G64-Y76 VanDerWaalsContact C-CD1 3.44Å; G64-Y76 VanDerWaalsContact CA-CE1 3.5Å; G64-Y76 PolarHBondContact N-O 3.49Å; G64-Y76 VanDerWaalsContact N-O 3.15Å; G64-Y76 WeakPolarHBondContact O-CD1 3.5Å; G64-Y76 PolarHBondContact O-N 2.83Å; V66-Y76 HydrophobicContact CB-CD1 3.91Å; V66-Y76 HydrophobicContact CG1-CD1 4.13Å; Y76-F78 AromaticContact CD2-CD2 3.73Å; Y76-F78 HydrophobicContact CD2-CD2 3.73Å; Y76-F78 AromaticContact CD2-CE2 3.88Å; Y76-F78 HydrophobicContact CD2-CE2 3.88Å; Y76-F78 HydrophobicContact CE2-CD2 4.2Å; Y76-F78 HydrophobicContact CE2-CE2 4.43Å; Y76-K117 CarbonylContact C-O 3.52Å; Y76-K117 VanDerWaalsContact CA-O 3.32Å; Y76-K117 WeakPolarHBondContact CA-O 3.1Å; Y76-L180 HydrophobicContact CD1-CD1 4.26Å; Y76-L180 HydrophobicContact CD1-CD2 3.67Å; Y76-L180 HydrophobicContact CD1-CG 4.45Å; Y76-L180 HydrophobicContact CD2-CD2 4.31Å; Y76-L180 HydrophobicContact CE1-CD1 3.95Å; Y76-L180 HydrophobicContact CE1-CD2 4.09Å; Y76-L180 HydrophobicContact CE1-CG 4.39Å; Y76-L180 HydrophobicContact CG-CD2 3.75Å; Y76-Q184 PolarHBondContact OH-OE1 2.74Å; Y76-I185 HydrophobicContact CD2-CD1 4.15Å; Y76-I185 HydrophobicContact CE2-CD1 3.58Å; Y76-I185 HydrophobicContact CE2-CG1 4.05Å
77	E	96.6	Very high	91.8	Very high	38 Å²	38	63.8 Å²	63.8	18%	0.178	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	111.4	179.3	177.8	-171.8	166.2	0	0	108.3	F62 T63 R79 W116 K117 R119	F62-E77 CarbonylContact O-C 3.52Å; F62-E77 WeakPolarHBondContact O-CA 3.45Å; T63-E77 HydrophobicContact CG2-CB 4.12Å; T63-E77 HydrophobicContact CG2-CG 3.94Å; E77-R79 HydrophobicContact CG-CB 4.14Å; E77-R79 HydrophobicContact CG-CG 4.48Å; E77-R79 WeakPolarHBondContact OE1-CD 3.22Å; E77-R79 IonicContact OE1-CZ 2.8Å; E77-R79 IonicContact OE1-NE 2.66Å; E77-R79 IonicContact OE1-NH1 2.71Å; E77-R79 PolarHBondContact OE1-NH1 3.17Å; E77-R79 IonicContact OE2-NH1 3.34Å; E77-W116 CarbonylContact O-C 3.56Å; E77-W116 VanDerWaalsContact O-CA 3.28Å; E77-W116 WeakPolarHBondContact O-CA 3.39Å; E77-K117 HydrophobicContact CB-CB 4.32Å; E77-K117 PolarHBondContact N-O 3.21Å; E77-K117 PolarHBondContact O-N 2.89Å; E77-R119 IonicContact OE2-NH1 3.1Å
78	F	97.2	Very high	92.2	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.009	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	117.2	166.8	-71.3	-105.2	0	0	0	107.4	D61 F62 Y76 R115 W116 F129 M170 L177 L180 F181 I185	D61-F78 CarbonylContact C-O 3.56Å; D61-F78 VanDerWaalsContact CA-O 3.26Å; D61-F78 WeakPolarHBondContact CA-O 3.45Å; D61-F78 WeakPolarHBondContact CB-O 3.33Å; F62-F78 HydrophobicContact CB-CB 4.28Å; F62-F78 PolarHBondContact N-O 3.23Å; F62-F78 PolarHBondContact O-N 3.04Å; Y76-F78 AromaticContact CD2-CD2 3.73Å; Y76-F78 HydrophobicContact CD2-CD2 3.73Å; Y76-F78 AromaticContact CD2-CE2 3.88Å; Y76-F78 HydrophobicContact CD2-CE2 3.88Å; Y76-F78 HydrophobicContact CE2-CD2 4.2Å; Y76-F78 HydrophobicContact CE2-CE2 4.43Å; F78-R115 CarbonylContact C-O 3.6Å; F78-R115 WeakPolarHBondContact CA-O 3.25Å; F78-W116 HydrophobicContact CD1-CB 3.91Å; F78-W116 HydrophobicContact CE1-CB 3.87Å; F78-W116 HydrophobicContact CG-CB 4.31Å; F78-W116 HydrophobicContact CZ-CB 4.26Å; F78-F129 HydrophobicContact CB-CE1 4.09Å; F78-F129 HydrophobicContact CB-CZ 4.09Å; F78-F129 AromaticContact CD1-CD1 3.75Å; F78-F129 HydrophobicContact CD1-CD1 3.75Å; F78-F129 HydrophobicContact CD1-CD2 4.24Å; F78-F129 AromaticContact CD1-CE1 3.54Å; F78-F129 HydrophobicContact CD1-CE1 3.54Å; F78-F129 HydrophobicContact CD1-CE2 4.06Å; F78-F129 HydrophobicContact CD1-CG 4.09Å; F78-F129 AromaticContact CD1-CZ 3.71Å; F78-F129 HydrophobicContact CD1-CZ 3.71Å; F78-F129 HydrophobicContact CE1-CD1 4.27Å; F78-F129 HydrophobicContact CE1-CE1 4.48Å; F78-F129 HydrophobicContact CE1-CG 4.32Å; F78-F129 HydrophobicContact CG-CE1 4.28Å; F78-F129 HydrophobicContact CG-CZ 4.39Å; F78-M170 HydrophobicContact CE1-CE 3.65Å; F78-M170 HydrophobicContact CE1-SD 4.49Å; F78-M170 HydrophobicContact CZ-CE 3.79Å; F78-L177 HydrophobicContact CE2-CD1 4.36Å; F78-L177 HydrophobicContact CZ-CD1 4.03Å; F78-L177 HydrophobicContact CZ-CG 4.15Å; F78-L180 HydrophobicContact CE2-CD2 4.4Å; F78-F181 HydrophobicContact CD1-CD2 4.25Å; F78-F181 AromaticContact CE1-CD2 3.94Å; F78-F181 HydrophobicContact CE1-CD2 3.94Å; F78-F181 HydrophobicContact CZ-CD2 4.29Å; F78-I185 HydrophobicContact CD2-CD1 3.24Å; F78-I185 HydrophobicContact CE2-CD1 3.23Å; F78-I185 HydrophobicContact CG-CD1 3.98Å; F78-I185 HydrophobicContact CZ-CD1 3.97Å
79	R	96.9	Very high	92.5	Very high	68 Å²	68	58.7 Å²	58.7	26%	0.257	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	166	-165	71	-167.7	-171.4	165.6	9.5	113.8	D61 E77 L81 R115	D61-R79 HydrophobicContact CB-CB 4.21Å; D61-R79 VanDerWaalsContact CG-CB 3.47Å; D61-R79 WeakPolarHBondContact OD1-CA 3.33Å; D61-R79 WeakPolarHBondContact OD1-CB 3.25Å; D61-R79 WeakPolarHBondContact OD2-CB 3.41Å; E77-R79 HydrophobicContact CG-CB 4.14Å; E77-R79 HydrophobicContact CG-CG 4.48Å; E77-R79 WeakPolarHBondContact OE1-CD 3.22Å; E77-R79 IonicContact OE1-CZ 2.8Å; E77-R79 IonicContact OE1-NE 2.66Å; E77-R79 IonicContact OE1-NH1 2.71Å; E77-R79 PolarHBondContact OE1-NH1 3.17Å; E77-R79 IonicContact OE2-NH1 3.34Å; R79-L81 PolarHBondContact O-N 2.9Å; R79-R115 HydrophobicContact CG-CB 4.25Å; R79-R115 PolarHBondContact N-O 3.03Å; R79-R115 PolarHBondContact O-N 3.4Å
80	S	95.6	Very high	93	Very high	76 Å²	76	60.9 Å²	60.9	53%	0.531	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	57.4	41.6	177.6	-47.9	0	0	0	0	111.4	D61 N82	D61-S80 PolarHBondContact OD1-N 3.39Å; S80-N82 PolarHBondContact O-N 2.82Å
81	L	97.3	Very high	93.6	Very high	14 Å²	14	52.1 Å²	52.1	7%	0.073	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	125.2	177.5	-75.1	80.6	0	0	0	109.3	L59 F62 R79 V112 Q113 F129 F189	L59-L81 HydrophobicContact CB-CB 3.68Å; L59-L81 HydrophobicContact CB-CD2 4.19Å; L59-L81 HydrophobicContact CD1-CB 4.12Å; L59-L81 HydrophobicContact CD1-CD2 4.23Å; F62-L81 HydrophobicContact CD2-CD1 4.4Å; F62-L81 HydrophobicContact CD2-CD2 4.12Å; F62-L81 HydrophobicContact CE2-CD2 3.75Å; R79-L81 PolarHBondContact O-N 2.9Å; L81-V112 HydrophobicContact CB-CG1 3.99Å; L81-V112 HydrophobicContact CD2-CG1 4.26Å; L81-V112 HydrophobicContact CG-CG1 4.32Å; L81-Q113 CarbonylContact C-O 3.53Å; L81-Q113 WeakPolarHBondContact CA-O 3.4Å; L81-F129 HydrophobicContact CD1-CZ 4.08Å; L81-F129 HydrophobicContact CD2-CZ 4.25Å; L81-F129 HydrophobicContact CG-CZ 3.86Å; L81-F189 HydrophobicContact CD2-CD2 4.15Å; L81-F189 HydrophobicContact CD2-CE2 4.09Å
82	N	95.5	Very high	94.4	Very high	88 Å²	88	52.3 Å²	52.3	47%	0.471	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	130	179.4	-176.3	39.3	0	0	0	110.4	S80 H84 V112 Q113	S80-N82 PolarHBondContact O-N 2.82Å; N82-H84 PolarHBondContact O-N 3.37Å; N82-V112 CarbonylContact O-C 3.49Å; N82-V112 WeakPolarHBondContact O-CA 3.35Å; N82-Q113 PolarHBondContact N-O 2.9Å; N82-Q113 PolarHBondContact O-N 2.87Å
83	I	96.6	Very high	94.9	Very high	4 Å²	4	52 Å²	52	2%	0.021	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	111	170.3	-70.3	158	0	0	0	107.2	L55 I57 L59 C86 I110 V112 L193	L55-I83 HydrophobicContact CD2-CG2 3.87Å; I57-I83 HydrophobicContact CB-CD1 3.67Å; I57-I83 HydrophobicContact CD1-CD1 4.46Å; I57-I83 HydrophobicContact CG2-CD1 3.71Å; L59-I83 HydrophobicContact CD1-CD1 4.35Å; L59-I83 HydrophobicContact CD1-CG1 4.24Å; I83-C86 HydrophobicContact CG2-CB 4.43Å; I83-I110 HydrophobicContact CD1-CG2 4.33Å; I83-I110 HydrophobicContact CG1-CG2 3.9Å; I83-I110 HydrophobicContact CG2-CG2 3.94Å; I83-V112 HydrophobicContact CG1-CG2 3.85Å; I83-L193 HydrophobicContact CD1-CD1 4.27Å
84	H	93.1	Very high	95.2	Very high	72 Å²	72	49.4 Å²	49.4	33%	0.333	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-17.2	-179.7	73.1	-89.1	0	0	0	112.4	N82 R111 Q113	N82-H84 PolarHBondContact O-N 3.37Å; H84-R111 WeakPolarHBondContact CE1-CB 3.36Å; H84-R111 PolarHBondContact N-O 3.14Å; H84-R111 VanDerWaalsContact N-O 3.1Å; H84-R111 PolarHBondContact ND1-O 3.47Å; H84-Q113 VanDerWaalsContact CE1-CD 3.49Å; H84-Q113 PolarHBondContact CE1-NE2 3.27Å; H84-Q113 WeakPolarHBondContact ND1-CG 3.42Å
85	S	95.4	Very high	95.4	Very high	43 Å²	43	49.9 Å²	49.9	30%	0.301	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	135.2	176.7	-172	0	0	0	0	110.2	I110 R111	S85-I110 WeakPolarHBondContact O-CA 3.38Å; S85-R111 PolarHBondContact N-O 2.91Å; S85-R111 PolarHBondContact O-N 3.44Å
86	C	95.8	Very high	95.4	Very high	7 Å²	7	49.2 Å²	49.2	5%	0.047	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	127	172.4	179.4	0	0	0	0	107.4	Q51 L55 I83 F109 I110	Q51-C86 HydrophobicContact CG-CB 4.28Å; Q51-C86 WeakPolarHBondContact CG-O 3.37Å; Q51-C86 PolarHBondContact NE2-O 3.39Å; Q51-C86 VanDerWaalsContact NE2-O 3.16Å; L55-C86 HydrophobicContact CD2-CB 3.69Å; L55-C86 HydrophobicContact CG-CB 4.21Å; I83-C86 HydrophobicContact CG2-CB 4.43Å; C86-F109 WeakPolarHBondContact CA-O 3.36Å; C86-I110 HydrophobicContact CB-CG1 4.35Å
87	E	95.4	Very high	95.1	Very high	86 Å²	86	52.3 Å²	52.3	40%	0.402	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	109	178.2	-172	-174.1	150.9	0	0	107.9	R89 S108 F109	E87-R89 HydrophobicContact CG-CG 4.27Å; E87-R89 IonicContact OE1-CZ 3.78Å; E87-R89 IonicContact OE1-NE 2.93Å; E87-R89 PolarHBondContact OE1-NE 2.75Å; E87-R89 IonicContact OE1-NH2 3.79Å; E87-R89 PolarHBondContact OE1-NH2 3.02Å; E87-R89 IonicContact OE2-NH2 3.68Å; E87-S108 WeakPolarHBondContact O-CA 3.25Å; E87-S108 WeakPolarHBondContact O-CB 3.43Å; E87-F109 PolarHBondContact N-O 2.84Å; E87-F109 PolarHBondContact O-N 3.37Å
88	L	95.1	Very high	94.2	Very high	12 Å²	12	56.5 Å²	56.5	6%	0.063	30%	0.299	C	S	.	.			trans	-96.6	123.5	173.4	-55.9	-178.8	0	0	0	108.3	L47 L50 Q51 L54 I105 S108	L47-L88 HydrophobicContact CD1-CB 3.53Å; L47-L88 HydrophobicContact CD1-CD1 3.61Å; L47-L88 HydrophobicContact CD1-CG 4.21Å; L47-L88 HydrophobicContact CD2-CB 3.97Å; L47-L88 WeakPolarHBondContact CD2-O 3.24Å; L47-L88 HydrophobicContact CG-CB 3.65Å; L47-L88 HydrophobicContact CG-CD1 4.15Å; L50-L88 HydrophobicContact CB-CD1 4.38Å; L50-L88 HydrophobicContact CD2-CD1 4.16Å; L50-L88 HydrophobicContact CG-CD1 4.12Å; Q51-L88 HydrophobicContact CB-CD1 4.1Å; Q51-L88 HydrophobicContact CB-CG 4.3Å; Q51-L88 VanDerWaalsContact OE1-N 3.13Å; L54-L88 HydrophobicContact CD1-CD1 3.92Å; L54-L88 HydrophobicContact CD1-CD2 3.95Å; L54-L88 HydrophobicContact CD1-CG 4.36Å; L88-I105 HydrophobicContact CB-CG2 4.37Å; L88-I105 HydrophobicContact CD1-CD1 4.42Å; L88-I105 HydrophobicContact CD2-CG2 4.37Å; L88-S108 WeakPolarHBondContact CA-OG 3.17Å
89	R	90.9	Very high	93.3	Very high	108 Å²	108	61.7 Å²	61.7	41%	0.408	32%	0.323	S	S	.	.			trans	-100.8	-72.8	-170.2	-66.6	-166.1	172.5	167.8	-0.4	113.8	E87 D107 S108	E87-R89 HydrophobicContact CG-CG 4.27Å; E87-R89 IonicContact OE1-CZ 3.78Å; E87-R89 IonicContact OE1-NE 2.93Å; E87-R89 PolarHBondContact OE1-NE 2.75Å; E87-R89 IonicContact OE1-NH2 3.79Å; E87-R89 PolarHBondContact OE1-NH2 3.02Å; E87-R89 IonicContact OE2-NH2 3.68Å; R89-D107 VanDerWaalsContact CD-O 3.3Å; R89-D107 WeakPolarHBondContact CD-O 3.35Å; R89-D107 WeakPolarHBondContact CG-O 3.46Å; R89-D107 IonicContact NH1-OD2 3.49Å; R89-D107 PolarHBondContact NH1-OD2 2.97Å; R89-S108 PolarHBondContact N-OG 3.46Å
90	H	93.3	Very high	93.1	Very high	109 Å²	109	58.7 Å²	58.7	51%	0.505	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	111.5	-169.3	-54	101.9	0	0	0	109.1	I105 S106 D107	H90-I105 CarbonylContact O-C 3.57Å; H90-I105 WeakPolarHBondContact O-CA 3.48Å; H90-S106 PolarHBondContact N-O 2.82Å; H90-S106 PolarHBondContact O-N 3.18Å; H90-D107 IonicContact CE1-OD2 3.49Å
91	S	95.4	Very high	93.1	Very high	24 Å²	24	55.8 Å²	55.8	17%	0.168	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	138.2	174.9	63.3	0	0	0	0	111.3	S104	S91-S104 CarbonylContact C-O 3.5Å; S91-S104 VanDerWaalsContact CA-O 3.29Å; S91-S104 WeakPolarHBondContact CA-O 3.23Å
92	A	96.1	Very high	93.1	Very high	28 Å²	28	56.3 Å²	56.3	23%	0.231	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	128.5	168.1	0	0	0	0	0	110	L103 S104	A92-L103 WeakPolarHBondContact O-CA 2.99Å; A92-S104 PolarHBondContact N-O 3.45Å; A92-S104 PolarHBondContact O-N 3.05Å
93	L	96.9	Very high	93.2	Very high	25 Å²	25	53.5 Å²	53.5	13%	0.131	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	112.2	172.6	-174.5	67.1	0	0	0	108.1	L39 A42 A43 L101 S102 L103 L142	L39-L93 HydrophobicContact CB-CB 4.46Å; L39-L93 HydrophobicContact CB-CD2 4.4Å; L39-L93 HydrophobicContact CD2-CD2 4.03Å; L39-L93 HydrophobicContact CD2-CG 4.48Å; A42-L93 HydrophobicContact CB-CD2 4.25Å; A43-L93 HydrophobicContact CB-CB 3.75Å; L93-L101 HydrophobicContact CD1-CB 3.86Å; L93-L101 HydrophobicContact CD1-CD1 4.14Å; L93-L101 HydrophobicContact CD2-CD1 4.08Å; L93-L101 HydrophobicContact CG-CB 4.45Å; L93-L101 HydrophobicContact CG-CD1 4.21Å; L93-S102 WeakPolarHBondContact CA-O 3.19Å; L93-L103 HydrophobicContact CD1-CB 3.96Å; L93-L103 HydrophobicContact CD1-CD1 4.45Å; L93-L142 HydrophobicContact CD1-CD1 4.21Å
94	R	96	Very high	93.3	Very high	167 Å²	167	55.7 Å²	55.7	63%	0.63	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.4	140.1	-174.4	-65.9	-174.3	176.4	177	-0	110.9	L101 S102	R94-L101 CarbonylContact O-C 3.6Å; R94-L101 WeakPolarHBondContact O-CA 3.23Å; R94-S102 PolarHBondContact N-O 2.67Å; R94-S102 PolarHBondContact O-N 3.24Å
95	P	95.7	Very high	93.5	Very high	19 Å²	19	52.4 Å²	52.4	12%	0.123	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	139.7	171.8	32.3	-32.8	0	0	0	110.2	L39 L101 A238 T239	L39-P95 HydrophobicContact CD1-CB 4.46Å; L39-P95 HydrophobicContact CD1-CG 4.24Å; P95-L101 HydrophobicContact CB-CD2 4.12Å; P95-A238 HydrophobicContact CB-CB 3.97Å; P95-T239 VanDerWaalsContact CB-O 3.26Å; P95-T239 WeakPolarHBondContact CB-O 3.38Å; P95-T239 WeakPolarHBondContact CG-O 3.31Å
96	V	92.8	Very high	93.6	Very high	36 Å²	36	53 Å²	53	22%	0.218	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	109.2	174.6	-174.4	0	0	0	0	107	S98 Q99 G100 A238	V96-S98 PolarHBondContact O-N 2.83Å; V96-Q99 HydrophobicContact CB-CB 4.12Å; V96-Q99 HydrophobicContact CG1-CB 3.78Å; V96-Q99 HydrophobicContact CG1-CG 4.16Å; V96-Q99 PolarHBondContact O-N 3.24Å; V96-G100 PolarHBondContact N-O 2.81Å; V96-G100 PolarHBondContact O-N 2.88Å; V96-A238 WeakPolarHBondContact O-CB 3.36Å
97	P	89.1	Confident	93.6	Very high	72 Å²	72	55.9 Å²	55.9	47%	0.468	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	135.5	179.7	-29.2	35.4	0	0	0	111.5	Q99	P97-Q99 PolarHBondContact O-N 2.94Å
98	S	77.4	Confident	93.6	Very high	126 Å²	126	51.8 Å²	51.8	88%	0.881	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	1.6	-176.9	68.6	0	0	0	0	117.8	V96	V96-S98 PolarHBondContact O-N 2.83Å
99	Q	78.7	Confident	93.7	Very high	112 Å²	112	53.4 Å²	53.4	52%	0.523	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-18.9	-178.2	-61.6	179.7	50.1	0	0	114	V96 P97 L143	V96-Q99 HydrophobicContact CB-CB 4.12Å; V96-Q99 HydrophobicContact CG1-CB 3.78Å; V96-Q99 HydrophobicContact CG1-CG 4.16Å; V96-Q99 PolarHBondContact O-N 3.24Å; P97-Q99 PolarHBondContact O-N 2.94Å; Q99-L143 WeakPolarHBondContact O-CD1 3.42Å
100	G	92.2	Very high	94	Very high	5 Å²	5	48.4 Å²	48.4	5%	0.052	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	112.8	-120	178.9	0	0	0	0	0	111.8	V96 A238	V96-G100 PolarHBondContact N-O 2.81Å; V96-G100 PolarHBondContact O-N 2.88Å; G100-A238 WeakPolarHBondContact O-CB 3.4Å
101	L	97.1	Very high	94.2	Very high	14 Å²	14	49.8 Å²	49.8	7%	0.073	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	152.4	-179.5	-55.2	173.1	0	0	0	111.1	L39 L93 R94 P95 L142 L144 L243	L39-L101 HydrophobicContact CD1-CD2 4.34Å; L39-L101 HydrophobicContact CD2-CD1 4.35Å; L39-L101 HydrophobicContact CD2-CD2 4.2Å; L93-L101 HydrophobicContact CD1-CB 3.86Å; L93-L101 HydrophobicContact CD1-CD1 4.14Å; L93-L101 HydrophobicContact CD2-CD1 4.08Å; L93-L101 HydrophobicContact CG-CB 4.45Å; L93-L101 HydrophobicContact CG-CD1 4.21Å; R94-L101 CarbonylContact O-C 3.6Å; R94-L101 WeakPolarHBondContact O-CA 3.23Å; P95-L101 HydrophobicContact CB-CD2 4.12Å; L101-L142 HydrophobicContact CB-CB 4.25Å; L101-L142 PolarHBondContact N-O 2.83Å; L101-L142 PolarHBondContact O-N 3.16Å; L101-L144 HydrophobicContact CD1-CD1 4.01Å; L101-L144 HydrophobicContact CG-CD1 3.89Å; L101-L243 HydrophobicContact CD1-CD2 4.29Å; L101-L243 HydrophobicContact CD2-CD1 4.38Å; L101-L243 HydrophobicContact CD2-CD2 4.42Å
102	S	96.8	Very high	94.3	Very high	25 Å²	25	48.6 Å²	48.6	18%	0.175	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	119.7	170	-173.2	0	0	0	0	109.1	L93 R94 V140 N141	L93-S102 WeakPolarHBondContact CA-O 3.19Å; R94-S102 PolarHBondContact N-O 2.67Å; R94-S102 PolarHBondContact O-N 3.24Å; S102-V140 CarbonylContact C-O 3.49Å; S102-V140 WeakPolarHBondContact CA-O 3.49Å; S102-N141 PolarHBondContact OG-OD1 3.22Å
103	L	97.8	Very high	94.4	Very high	30 Å²	30	51.3 Å²	51.3	16%	0.157	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	122.2	172.4	174	65.9	0	0	0	108.4	A92 L93 I105 S139 V140	A92-L103 WeakPolarHBondContact O-CA 2.99Å; L93-L103 HydrophobicContact CD1-CB 3.96Å; L93-L103 HydrophobicContact CD1-CD1 4.45Å; L103-I105 HydrophobicContact CD1-CG1 4.39Å; L103-I105 HydrophobicContact CD2-CD1 4.35Å; L103-I105 HydrophobicContact CG-CG1 4.37Å; L103-S139 CarbonylContact O-C 3.57Å; L103-S139 WeakPolarHBondContact O-CA 3.24Å; L103-V140 HydrophobicContact CB-CB 4.3Å; L103-V140 PolarHBondContact N-O 3Å; L103-V140 PolarHBondContact O-N 3.08Å
104	S	97.8	Very high	94.4	Very high	49 Å²	49	50.5 Å²	50.5	34%	0.343	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	138.7	168.9	60.1	0	0	0	0	110.6	S91 A92 I138	S91-S104 CarbonylContact C-O 3.5Å; S91-S104 VanDerWaalsContact CA-O 3.29Å; S91-S104 WeakPolarHBondContact CA-O 3.23Å; A92-S104 PolarHBondContact N-O 3.45Å; A92-S104 PolarHBondContact O-N 3.05Å; S104-I138 CarbonylContact C-O 3.55Å; S104-I138 WeakPolarHBondContact CA-O 3.35Å
105	I	97.9	Very high	94.5	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.015	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	134.8	174	-56.2	166.5	0	0	0	107.6	L47 L50 L88 H90 L103 S108 S137 I138	L47-I105 HydrophobicContact CD1-CD1 3.63Å; L47-I105 HydrophobicContact CD1-CG1 3.91Å; L47-I105 HydrophobicContact CD1-CG2 4.23Å; L50-I105 HydrophobicContact CD2-CD1 3.81Å; L88-I105 HydrophobicContact CB-CG2 4.37Å; L88-I105 HydrophobicContact CD1-CD1 4.42Å; L88-I105 HydrophobicContact CD2-CG2 4.37Å; H90-I105 CarbonylContact O-C 3.57Å; H90-I105 WeakPolarHBondContact O-CA 3.48Å; L103-I105 HydrophobicContact CD1-CG1 4.39Å; L103-I105 HydrophobicContact CD2-CD1 4.35Å; L103-I105 HydrophobicContact CG-CG1 4.37Å; I105-S108 VanDerWaalsContact CG2-OG 3.32Å; I105-S108 WeakPolarHBondContact CG2-OG 3.23Å; I105-S137 CarbonylContact O-C 3.5Å; I105-S137 VanDerWaalsContact O-CA 3.25Å; I105-S137 WeakPolarHBondContact O-CA 3.5Å; I105-I138 HydrophobicContact CB-CB 4.17Å; I105-I138 HydrophobicContact CD1-CD1 4.35Å; I105-I138 PolarHBondContact N-O 2.84Å; I105-I138 PolarHBondContact O-N 3.37Å
106	S	96.9	Very high	94.5	Very high	57 Å²	57	49.9 Å²	49.9	40%	0.399	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	164.2	-178.9	62.6	0	0	0	0	113	H90 S108	H90-S106 PolarHBondContact N-O 2.82Å; H90-S106 PolarHBondContact O-N 3.18Å; S106-S108 VanDerWaalsContact C-N 3.29Å; S106-S108 PolarHBondContact O-N 3.35Å; S106-S108 PolarHBondContact O-OG 2.76Å
107	D	95.4	Very high	94.6	Very high	66 Å²	66	49.4 Å²	49.4	35%	0.353	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	49.8	48.4	179.3	-172.6	46.6	0	0	0	112.2	R89 H90 F109 I136	R89-D107 VanDerWaalsContact CD-O 3.3Å; R89-D107 WeakPolarHBondContact CD-O 3.35Å; R89-D107 WeakPolarHBondContact CG-O 3.46Å; R89-D107 IonicContact NH1-OD2 3.49Å; R89-D107 PolarHBondContact NH1-OD2 2.97Å; H90-D107 IonicContact CE1-OD2 3.49Å; D107-F109 WeakPolarHBondContact O-CE2 3.25Å; D107-F109 WeakPolarHBondContact OD1-CZ 3.36Å; D107-I136 PolarHBondContact N-O 3.42Å
108	S	96.9	Very high	94.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	158.4	-178	-62.9	0	0	0	0	112.1	E87 L88 R89 I105 S106 G135 I136	E87-S108 WeakPolarHBondContact O-CA 3.25Å; E87-S108 WeakPolarHBondContact O-CB 3.43Å; L88-S108 WeakPolarHBondContact CA-OG 3.17Å; R89-S108 PolarHBondContact N-OG 3.46Å; I105-S108 VanDerWaalsContact CG2-OG 3.32Å; I105-S108 WeakPolarHBondContact CG2-OG 3.23Å; S106-S108 VanDerWaalsContact C-N 3.29Å; S106-S108 PolarHBondContact O-N 3.35Å; S106-S108 PolarHBondContact O-OG 2.76Å; S108-G135 PolarHBondContact O-N 3.31Å; S108-I136 PolarHBondContact N-O 2.88Å; S108-I136 VanDerWaalsContact N-O 3.09Å; S108-I136 WeakPolarHBondContact O-CB 3.23Å; S108-I136 PolarHBondContact O-N 3.36Å
109	F	96.8	Very high	95.4	Very high	46 Å²	46	45.2 Å²	45.2	20%	0.202	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	136	-170.7	-57.9	-90.4	0	0	0	111.2	C86 E87 D107 V133 K134	C86-F109 WeakPolarHBondContact CA-O 3.36Å; E87-F109 PolarHBondContact N-O 2.84Å; E87-F109 PolarHBondContact O-N 3.37Å; D107-F109 WeakPolarHBondContact O-CE2 3.25Å; D107-F109 WeakPolarHBondContact OD1-CZ 3.36Å; F109-V133 WeakPolarHBondContact CA-O 3.34Å; F109-K134 HydrophobicContact CD1-CB 3.92Å; F109-K134 HydrophobicContact CD1-CG 3.82Å; F109-K134 HydrophobicContact CE1-CB 3.78Å; F109-K134 HydrophobicContact CE1-CD 4.33Å; F109-K134 HydrophobicContact CE1-CG 3.92Å
110	I	97.4	Very high	95.9	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.015	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	134.1	173.2	-69.6	176.5	0	0	0	108.8	I83 S85 C86 V112 V133 I136 L193 I197	I83-I110 HydrophobicContact CD1-CG2 4.33Å; I83-I110 HydrophobicContact CG1-CG2 3.9Å; I83-I110 HydrophobicContact CG2-CG2 3.94Å; S85-I110 WeakPolarHBondContact O-CA 3.38Å; C86-I110 HydrophobicContact CB-CG1 4.35Å; I110-V112 HydrophobicContact CG2-CG2 3.97Å; I110-V133 HydrophobicContact CB-CB 4.38Å; I110-V133 PolarHBondContact N-O 3.08Å; I110-V133 PolarHBondContact O-N 2.84Å; I110-I136 HydrophobicContact CB-CD1 3.77Å; I110-I136 HydrophobicContact CD1-CD1 3.62Å; I110-I136 HydrophobicContact CG1-CD1 3.5Å; I110-I136 VanDerWaalsContact CG1-CD1 3.5Å; I110-L193 HydrophobicContact CD1-CD1 4.43Å; I110-I197 HydrophobicContact CD1-CD1 4Å; I110-I197 HydrophobicContact CD1-CG1 4.45Å
111	R	97.8	Very high	95.6	Very high	138 Å²	138	48.5 Å²	48.5	52%	0.521	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127	169.2	-57.7	-176.4	178.2	150.6	2.2	110.8	H84 S85 V131	H84-R111 WeakPolarHBondContact CE1-CB 3.36Å; H84-R111 PolarHBondContact N-O 3.14Å; H84-R111 VanDerWaalsContact N-O 3.1Å; H84-R111 PolarHBondContact ND1-O 3.47Å; S85-R111 PolarHBondContact N-O 2.91Å; S85-R111 PolarHBondContact O-N 3.44Å; R111-V131 CarbonylContact C-O 3.58Å; R111-V131 WeakPolarHBondContact CA-O 3.21Å
112	V	97.9	Very high	94.7	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134.2	178.2	-173.6	0	0	0	0	108.8	L59 L81 N82 I83 I110 D130 V131 F189	L59-V112 HydrophobicContact CD1-CG1 3.74Å; L59-V112 HydrophobicContact CD1-CG2 3.96Å; L81-V112 HydrophobicContact CB-CG1 3.99Å; L81-V112 HydrophobicContact CD2-CG1 4.26Å; L81-V112 HydrophobicContact CG-CG1 4.32Å; N82-V112 CarbonylContact O-C 3.49Å; N82-V112 WeakPolarHBondContact O-CA 3.35Å; I83-V112 HydrophobicContact CG1-CG2 3.85Å; I110-V112 HydrophobicContact CG2-CG2 3.97Å; V112-D130 CarbonylContact O-C 3.6Å; V112-D130 WeakPolarHBondContact O-CA 3.05Å; V112-V131 HydrophobicContact CB-CB 4.24Å; V112-V131 PolarHBondContact N-O 2.81Å; V112-V131 PolarHBondContact O-N 3.32Å; V112-F189 HydrophobicContact CG2-CE2 4.3Å; V112-F189 HydrophobicContact CG2-CZ 3.97Å
113	Q	97.3	Very high	93.9	Very high	84 Å²	84	59.1 Å²	59.1	39%	0.393	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	144.6	170.8	-89	169.7	-0.8	0	0	110	L81 N82 H84 D130	L81-Q113 CarbonylContact C-O 3.53Å; L81-Q113 WeakPolarHBondContact CA-O 3.4Å; N82-Q113 PolarHBondContact N-O 2.9Å; N82-Q113 PolarHBondContact O-N 2.87Å; H84-Q113 VanDerWaalsContact CE1-CD 3.49Å; H84-Q113 PolarHBondContact CE1-NE2 3.27Å; H84-Q113 WeakPolarHBondContact ND1-CG 3.42Å; Q113-D130 WeakPolarHBondContact CG-OD1 3.47Å; Q113-D130 PolarHBondContact NE2-OD1 3.42Å
114	G	97	Very high	93.4	Very high	8 Å²	8	64.7 Å²	64.7	8%	0.082	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	-176.1	175	0	0	0	0	0	113	S128 F129	G114-S128 WeakPolarHBondContact O-CA 3.46Å; G114-F129 VanDerWaalsContact C-CD1 3.43Å; G114-F129 VanDerWaalsContact CA-CE1 3.44Å; G114-F129 PolarHBondContact N-O 3.1Å; G114-F129 PolarHBondContact O-N 2.99Å
115	R	97.2	Very high	93.1	Very high	162 Å²	162	65 Å²	65	61%	0.611	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	142.7	174.9	-66.2	-176.5	176.2	174.4	-1.7	110.1	F78 R79 G127	F78-R115 CarbonylContact C-O 3.6Å; F78-R115 WeakPolarHBondContact CA-O 3.25Å; R79-R115 HydrophobicContact CG-CB 4.25Å; R79-R115 PolarHBondContact N-O 3.03Å; R79-R115 PolarHBondContact O-N 3.4Å; R115-G127 CarbonylContact C-O 3.46Å; R115-G127 VanDerWaalsContact CA-O 3.27Å; R115-G127 WeakPolarHBondContact CA-O 3.47Å
116	W	96.3	Very high	92.9	Very high	11 Å²	11	71.9 Å²	71.9	4%	0.042	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	153.5	173.1	62.2	-98.1	0	0	0	110.5	E77 F78 V118 L125 Q126 G127 S128 F129 S171 L174 L177	E77-W116 CarbonylContact O-C 3.56Å; E77-W116 VanDerWaalsContact O-CA 3.28Å; E77-W116 WeakPolarHBondContact O-CA 3.39Å; F78-W116 HydrophobicContact CD1-CB 3.91Å; F78-W116 HydrophobicContact CE1-CB 3.87Å; F78-W116 HydrophobicContact CG-CB 4.31Å; F78-W116 HydrophobicContact CZ-CB 4.26Å; W116-V118 HydrophobicContact CE3-CG2 4.04Å; W116-V118 HydrophobicContact CZ3-CG2 4.12Å; W116-L125 HydrophobicContact CH2-CB 4Å; W116-L125 HydrophobicContact CZ3-CB 3.65Å; W116-Q126 VanDerWaalsContact O-CA 3.26Å; W116-Q126 WeakPolarHBondContact O-CA 3.43Å; W116-G127 VanDerWaalsContact CE2-CA 3.46Å; W116-G127 PolarHBondContact N-O 2.87Å; W116-G127 PolarHBondContact O-N 2.79Å; W116-S128 VanDerWaalsContact CD1-O 3.23Å; W116-S128 PolarHBondContact NE1-O 2.88Å; W116-F129 HydrophobicContact CB-CD1 4.29Å; W116-S171 WeakPolarHBondContact CZ2-O 3.35Å; W116-S171 PolarHBondContact NE1-OG 2.72Å; W116-L174 HydrophobicContact CH2-CD1 3.57Å; W116-L174 HydrophobicContact CZ2-CD1 4.04Å; W116-L174 HydrophobicContact CZ3-CD1 4.29Å; W116-L177 HydrophobicContact CD2-CD2 3.56Å; W116-L177 HydrophobicContact CE3-CD2 3.74Å; W116-L177 HydrophobicContact CG-CD2 4Å; W116-L177 HydrophobicContact CH2-CD2 4.28Å; W116-L177 HydrophobicContact CZ2-CD2 4.13Å; W116-L177 HydrophobicContact CZ3-CD2 4.09Å
117	K	95	Very high	92.8	Very high	27 Å²	27	70.1 Å²	70.1	12%	0.117	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	135.3	176.3	-172.8	178.9	-164.4	164.9	0	109.9	Y76 E77 R119 L125	Y76-K117 CarbonylContact C-O 3.52Å; Y76-K117 VanDerWaalsContact CA-O 3.32Å; Y76-K117 WeakPolarHBondContact CA-O 3.1Å; E77-K117 HydrophobicContact CB-CB 4.32Å; E77-K117 PolarHBondContact N-O 3.21Å; E77-K117 PolarHBondContact O-N 2.89Å; K117-R119 HydrophobicContact CG-CG 4.46Å; K117-L125 CarbonylContact C-O 3.54Å; K117-L125 WeakPolarHBondContact CA-O 3.49Å
118	V	92.6	Very high	92.9	Very high	2 Å²	2	69.6 Å²	69.6	1%	0.012	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	132.5	174.8	177.6	0	0	0	0	108.9	I68 S75 W116 K124 L125 W176 L177	I68-V118 HydrophobicContact CD1-CG1 3.63Å; I68-V118 HydrophobicContact CG1-CG1 4.4Å; S75-V118 CarbonylContact O-C 3.57Å; S75-V118 WeakPolarHBondContact O-CA 3.49Å; W116-V118 HydrophobicContact CE3-CG2 4.04Å; W116-V118 HydrophobicContact CZ3-CG2 4.12Å; V118-K124 WeakPolarHBondContact O-CA 3.25Å; V118-L125 HydrophobicContact CB-CB 4.32Å; V118-L125 PolarHBondContact N-O 2.79Å; V118-L125 PolarHBondContact O-N 2.88Å; V118-W176 HydrophobicContact CB-CH2 4.49Å; V118-W176 HydrophobicContact CG1-CH2 3.98Å; V118-W176 HydrophobicContact CG2-CH2 3.9Å; V118-L177 HydrophobicContact CG2-CD1 3.98Å
119	R	90.8	Very high	92.9	Very high	108 Å²	108	69.7 Å²	69.7	41%	0.408	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	132.4	-179.9	-69.1	-178.5	167.2	133.9	-13.9	111	G74 S75 E77 K117 K124	G74-R119 CarbonylContact C-O 3.49Å; G74-R119 VanDerWaalsContact CA-O 3.28Å; G74-R119 WeakPolarHBondContact CA-O 3.27Å; S75-R119 PolarHBondContact N-O 3.4Å; S75-R119 PolarHBondContact O-N 3.21Å; E77-R119 IonicContact OE2-NH1 3.1Å; K117-R119 HydrophobicContact CG-CG 4.46Å; R119-K124 HydrophobicContact CG-CG 4.45Å
120	K	89.3	Confident	92.9	Very high	75 Å²	75	70.1 Å²	70.1	33%	0.326	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	114.8	166	178.3	-171.8	169.3	-142.3	0	110.3	I68 A71 R73 F122 L123	I68-K120 HydrophobicContact CD1-CB 4.14Å; A71-K120 HydrophobicContact CB-CD 4.13Å; A71-K120 WeakPolarHBondContact O-CD 3.15Å; A71-K120 WeakPolarHBondContact O-CE 3.35Å; A71-K120 PolarHBondContact O-NZ 2.85Å; R73-K120 WeakPolarHBondContact O-CG 3.32Å; K120-F122 PolarHBondContact O-N 2.93Å; K120-F122 VanDerWaalsContact O-N 3.08Å; K120-L123 PolarHBondContact N-O 3.5Å; K120-L123 WeakPolarHBondContact O-CA 3.32Å; K120-L123 WeakPolarHBondContact O-CB 3.43Å; K120-L123 PolarHBondContact O-N 2.85Å
121	S	85.8	Confident	92.9	Very high	111 Å²	111	70 Å²	70	78%	0.776	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	-115.1	-178.7	-174.1	0	0	0	0	110.7
122	F	78.3	Confident	92.9	Very high	189 Å²	189	65 Å²	65	83%	0.829	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-14.9	175.5	53.9	-93.2	0	0	0	114.8	K120	K120-F122 PolarHBondContact O-N 2.93Å; K120-F122 VanDerWaalsContact O-N 3.08Å
123	L	80	Confident	92.8	Very high	72 Å²	72	65 Å²	65	38%	0.377	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	126.2	179.1	-172.6	72.1	0	0	0	110.8	K120 L125	K120-L123 PolarHBondContact N-O 3.5Å; K120-L123 WeakPolarHBondContact O-CA 3.32Å; K120-L123 WeakPolarHBondContact O-CB 3.43Å; K120-L123 PolarHBondContact O-N 2.85Å; L123-L125 HydrophobicContact CD1-CD2 4.28Å; L123-L125 HydrophobicContact CD2-CD1 4.42Å; L123-L125 HydrophobicContact CD2-CG 4.41Å; L123-L125 HydrophobicContact CG-CG 4.3Å
124	K	87.8	Confident	92.8	Very high	147 Å²	147	64.2 Å²	64.2	64%	0.639	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.1	110.5	174	-65.1	175.3	-175.1	167.2	0	108.5	V118 R119	V118-K124 WeakPolarHBondContact O-CA 3.25Å; R119-K124 HydrophobicContact CG-CG 4.45Å
125	L	90.3	Very high	92.8	Very high	55 Å²	55	64.2 Å²	64.2	29%	0.288	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	146.5	171.4	-58	176.5	0	0	0	108.9	W116 K117 V118 L123 L174	W116-L125 HydrophobicContact CH2-CB 4Å; W116-L125 HydrophobicContact CZ3-CB 3.65Å; K117-L125 CarbonylContact C-O 3.54Å; K117-L125 WeakPolarHBondContact CA-O 3.49Å; V118-L125 HydrophobicContact CB-CB 4.32Å; V118-L125 PolarHBondContact N-O 2.79Å; V118-L125 PolarHBondContact O-N 2.88Å; L123-L125 HydrophobicContact CD1-CD2 4.28Å; L123-L125 HydrophobicContact CD2-CD1 4.42Å; L123-L125 HydrophobicContact CD2-CG 4.41Å; L123-L125 HydrophobicContact CG-CG 4.3Å; L125-L174 HydrophobicContact CD1-CD1 4.41Å
126	Q	94.1	Very high	92.8	Very high	148 Å²	148	56.6 Å²	56.6	69%	0.692	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.1	153.3	176.7	65.3	-176.8	24.7	0	0	110.1	W116	W116-Q126 VanDerWaalsContact O-CA 3.26Å; W116-Q126 WeakPolarHBondContact O-CA 3.43Å
127	G	95.5	Very high	92.9	Very high	20 Å²	20	58.1 Å²	58.1	21%	0.206	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171	-169.6	178	0	0	0	0	0	112.1	R115 W116 S171	R115-G127 CarbonylContact C-O 3.46Å; R115-G127 VanDerWaalsContact CA-O 3.27Å; R115-G127 WeakPolarHBondContact CA-O 3.47Å; W116-G127 VanDerWaalsContact CE2-CA 3.46Å; W116-G127 PolarHBondContact N-O 2.87Å; W116-G127 PolarHBondContact O-N 2.79Å; G127-S171 VanDerWaalsContact CA-OG 3.23Å; G127-S171 WeakPolarHBondContact CA-OG 3.48Å
128	S	96.8	Very high	93.1	Very high	55 Å²	55	57.2 Å²	57.2	39%	0.385	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	160.5	173.3	55.9	0	0	0	0	111	G114 W116 S171	G114-S128 WeakPolarHBondContact O-CA 3.46Å; W116-S128 VanDerWaalsContact CD1-O 3.23Å; W116-S128 PolarHBondContact NE1-O 2.88Å; S128-S171 PolarHBondContact N-OG 3.34Å; S128-S171 WeakPolarHBondContact O-CB 3.22Å; S128-S171 PolarHBondContact O-N 2.87Å; S128-S171 PolarHBondContact O-OG 3.32Å; S128-S171 VanDerWaalsContact O-OG 3.11Å
129	F	96.3	Very high	93.3	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.009	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	151.6	169.3	70	-77.7	0	0	0	109.9	F78 L81 G114 W116 V131 D169 M170 F181	F78-F129 HydrophobicContact CB-CE1 4.09Å; F78-F129 HydrophobicContact CB-CZ 4.09Å; F78-F129 AromaticContact CD1-CD1 3.75Å; F78-F129 HydrophobicContact CD1-CD1 3.75Å; F78-F129 HydrophobicContact CD1-CD2 4.24Å; F78-F129 AromaticContact CD1-CE1 3.54Å; F78-F129 HydrophobicContact CD1-CE1 3.54Å; F78-F129 HydrophobicContact CD1-CE2 4.06Å; F78-F129 HydrophobicContact CD1-CG 4.09Å; F78-F129 AromaticContact CD1-CZ 3.71Å; F78-F129 HydrophobicContact CD1-CZ 3.71Å; F78-F129 HydrophobicContact CE1-CD1 4.27Å; F78-F129 HydrophobicContact CE1-CE1 4.48Å; F78-F129 HydrophobicContact CE1-CG 4.32Å; F78-F129 HydrophobicContact CG-CE1 4.28Å; F78-F129 HydrophobicContact CG-CZ 4.39Å; L81-F129 HydrophobicContact CD1-CZ 4.08Å; L81-F129 HydrophobicContact CD2-CZ 4.25Å; L81-F129 HydrophobicContact CG-CZ 3.86Å; G114-F129 VanDerWaalsContact C-CD1 3.43Å; G114-F129 VanDerWaalsContact CA-CE1 3.44Å; G114-F129 PolarHBondContact N-O 3.1Å; G114-F129 PolarHBondContact O-N 2.99Å; W116-F129 HydrophobicContact CB-CD1 4.29Å; F129-V131 HydrophobicContact CD2-CG2 3.61Å; F129-V131 HydrophobicContact CE2-CG2 3.6Å; F129-D169 CarbonylContact C-O 3.44Å; F129-D169 WeakPolarHBondContact CA-O 3.34Å; F129-D169 WeakPolarHBondContact CB-O 3.44Å; F129-M170 HydrophobicContact CB-CG 4.05Å; F129-F181 HydrophobicContact CE2-CE2 4.44Å
130	D	96.6	Very high	93.7	Very high	56 Å²	56	54 Å²	54	30%	0.299	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.8	175.4	-72.8	-96.5	0	0	0	108	V112 Q113 V168 D169	V112-D130 CarbonylContact O-C 3.6Å; V112-D130 WeakPolarHBondContact O-CA 3.05Å; Q113-D130 WeakPolarHBondContact CG-OD1 3.47Å; Q113-D130 PolarHBondContact NE2-OD1 3.42Å; D130-V168 WeakPolarHBondContact O-CA 3.46Å; D130-D169 HydrophobicContact CB-CB 4.47Å; D130-D169 PolarHBondContact N-O 3.07Å; D130-D169 PolarHBondContact O-N 3.08Å
131	V	97.4	Very high	94.1	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.006	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	121.8	174.9	-174.3	0	0	0	0	108.1	R111 V112 F129 V133 V166 E167 V168 F181 F189	R111-V131 CarbonylContact C-O 3.58Å; R111-V131 WeakPolarHBondContact CA-O 3.21Å; V112-V131 HydrophobicContact CB-CB 4.24Å; V112-V131 PolarHBondContact N-O 2.81Å; V112-V131 PolarHBondContact O-N 3.32Å; F129-V131 HydrophobicContact CD2-CG2 3.61Å; F129-V131 HydrophobicContact CE2-CG2 3.6Å; V131-V133 HydrophobicContact CG1-CG2 4.02Å; V131-V166 HydrophobicContact CG1-CG1 3.54Å; V131-E167 CarbonylContact C-O 3.54Å; V131-E167 WeakPolarHBondContact CA-O 3.47Å; V131-V168 HydrophobicContact CG1-CG2 4.33Å; V131-V168 HydrophobicContact CG2-CG1 4.45Å; V131-V168 HydrophobicContact CG2-CG2 4.34Å; V131-F181 HydrophobicContact CG2-CE2 4.35Å; V131-F181 HydrophobicContact CG2-CZ 4.1Å; V131-F189 HydrophobicContact CB-CZ 4.39Å; V131-F189 HydrophobicContact CG1-CE1 3.78Å; V131-F189 HydrophobicContact CG1-CZ 3.9Å
132	S	97.7	Very high	94.6	Very high	32 Å²	32	47.8 Å²	47.8	22%	0.224	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	114.2	171.7	-66.8	0	0	0	0	109.2	E167	S132-E167 PolarHBondContact N-O 3.41Å; S132-E167 PolarHBondContact O-N 3.36Å
133	V	97.8	Very high	95.5	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.006	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	120.3	177.6	-171.4	0	0	0	0	107.9	F109 I110 V131 I136 I163 V166 F189 L193	F109-V133 WeakPolarHBondContact CA-O 3.34Å; I110-V133 HydrophobicContact CB-CB 4.38Å; I110-V133 PolarHBondContact N-O 3.08Å; I110-V133 PolarHBondContact O-N 2.84Å; V131-V133 HydrophobicContact CG1-CG2 4.02Å; V133-I136 HydrophobicContact CB-CD1 4.13Å; V133-I136 HydrophobicContact CG1-CD1 3.78Å; V133-I136 HydrophobicContact CG1-CG1 3.76Å; V133-I163 HydrophobicContact CG1-CB 4.34Å; V133-I163 HydrophobicContact CG1-CD1 4.01Å; V133-I163 HydrophobicContact CG1-CG1 4Å; V133-I163 HydrophobicContact CG1-CG2 3.44Å; V133-I163 VanDerWaalsContact CG1-CG2 3.44Å; V133-V166 HydrophobicContact CG1-CG2 4.48Å; V133-F189 HydrophobicContact CG2-CE1 3.71Å; V133-F189 HydrophobicContact CG2-CZ 3.99Å; V133-L193 HydrophobicContact CB-CD2 4.31Å; V133-L193 HydrophobicContact CG1-CD2 4.05Å; V133-L193 HydrophobicContact CG2-CD2 3.79Å
134	K	96.8	Very high	96.2	Very high	66 Å²	66	40.3 Å²	40.3	29%	0.287	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	158.5	-173.4	-55	-174.6	179.1	169	0	111	F109 I136 D164 D165 E167	F109-K134 HydrophobicContact CD1-CB 3.92Å; F109-K134 HydrophobicContact CD1-CG 3.82Å; F109-K134 HydrophobicContact CE1-CB 3.78Å; F109-K134 HydrophobicContact CE1-CD 4.33Å; F109-K134 HydrophobicContact CE1-CG 3.92Å; K134-I136 VanDerWaalsContact C-N 3.29Å; K134-I136 PolarHBondContact O-N 2.81Å; K134-D164 PolarHBondContact O-N 3.28Å; K134-D165 HydrophobicContact CB-CB 4.3Å; K134-D165 PolarHBondContact N-O 2.77Å; K134-D165 PolarHBondContact O-N 3.46Å; K134-E167 WeakPolarHBondContact CE-OE2 3.4Å; K134-E167 IonicContact NZ-OE1 3.69Å; K134-E167 PolarHBondContact NZ-OE1 2.78Å; K134-E167 IonicContact NZ-OE2 2.82Å; K134-E167 PolarHBondContact NZ-OE2 3.12Å
135	G	96.6	Very high	96.6	Very high	9 Å²	9	34 Å²	34	9%	0.093	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	61.2	38.5	178.2	0	0	0	0	0	112.4	S108 S137 D164	S108-G135 PolarHBondContact O-N 3.31Å; G135-S137 PolarHBondContact O-N 3.35Å; G135-D164 WeakPolarHBondContact CA-OD2 3.42Å; G135-D164 PolarHBondContact O-N 3.41Å
136	I	97.8	Very high	96.8	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	126.6	175.7	-63.1	161.7	0	0	0	108.2	D107 S108 I110 V133 K134 I138 D162 I163 I197	D107-I136 PolarHBondContact N-O 3.42Å; S108-I136 PolarHBondContact N-O 2.88Å; S108-I136 VanDerWaalsContact N-O 3.09Å; S108-I136 WeakPolarHBondContact O-CB 3.23Å; S108-I136 PolarHBondContact O-N 3.36Å; I110-I136 HydrophobicContact CB-CD1 3.77Å; I110-I136 HydrophobicContact CD1-CD1 3.62Å; I110-I136 HydrophobicContact CG1-CD1 3.5Å; I110-I136 VanDerWaalsContact CG1-CD1 3.5Å; V133-I136 HydrophobicContact CB-CD1 4.13Å; V133-I136 HydrophobicContact CG1-CD1 3.78Å; V133-I136 HydrophobicContact CG1-CG1 3.76Å; K134-I136 VanDerWaalsContact C-N 3.29Å; K134-I136 PolarHBondContact O-N 2.81Å; I136-I138 HydrophobicContact CG2-CD1 4.3Å; I136-I138 HydrophobicContact CG2-CG1 3.99Å; I136-D162 WeakPolarHBondContact CA-O 3.34Å; I136-I163 HydrophobicContact CG1-CG1 4.33Å; I136-I197 HydrophobicContact CG2-CD1 4.41Å
137	S	98	Very high	96.8	Very high	43 Å²	43	30.2 Å²	30.2	30%	0.301	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	143	168.8	57.9	0	0	0	0	110.4	I105 G135 S161 D162	I105-S137 CarbonylContact O-C 3.5Å; I105-S137 VanDerWaalsContact O-CA 3.25Å; I105-S137 WeakPolarHBondContact O-CA 3.5Å; G135-S137 PolarHBondContact O-N 3.35Å; S137-S161 CarbonylContact O-C 3.59Å; S137-S161 WeakPolarHBondContact O-CA 3.33Å; S137-S161 PolarHBondContact O-OG 3.36Å; S137-D162 PolarHBondContact N-O 3.4Å; S137-D162 PolarHBondContact O-N 3.12Å; S137-D162 WeakPolarHBondContact OG-CB 3.44Å
138	I	98.3	Very high	96.7	Very high	7 Å²	7	36 Å²	36	4%	0.036	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	134.4	-178.5	-52.9	172.1	0	0	0	107.6	S104 I105 I136 V140 S160 I197 I201	S104-I138 CarbonylContact C-O 3.55Å; S104-I138 WeakPolarHBondContact CA-O 3.35Å; I105-I138 HydrophobicContact CB-CB 4.17Å; I105-I138 HydrophobicContact CD1-CD1 4.35Å; I105-I138 PolarHBondContact N-O 2.84Å; I105-I138 PolarHBondContact O-N 3.37Å; I136-I138 HydrophobicContact CG2-CD1 4.3Å; I136-I138 HydrophobicContact CG2-CG1 3.99Å; I138-V140 HydrophobicContact CG2-CG2 3.88Å; I138-S160 CarbonylContact C-O 3.55Å; I138-S160 WeakPolarHBondContact CA-O 3.5Å; I138-I197 HydrophobicContact CD1-CG2 3.61Å; I138-I197 HydrophobicContact CG1-CG2 4.12Å; I138-I201 HydrophobicContact CD1-CD1 4.32Å; I138-I201 HydrophobicContact CG2-CD1 3.47Å; I138-I201 VanDerWaalsContact CG2-CD1 3.47Å
139	S	98.1	Very high	96.5	Very high	43 Å²	43	35.8 Å²	35.8	30%	0.301	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	128.4	173.6	-172.6	0	0	0	0	109.6	L103 C159 S160	L103-S139 CarbonylContact O-C 3.57Å; L103-S139 WeakPolarHBondContact O-CA 3.24Å; S139-C159 CarbonylContact O-C 3.47Å; S139-C159 VanDerWaalsContact O-CA 3.32Å; S139-C159 WeakPolarHBondContact O-CA 3.1Å; S139-S160 PolarHBondContact N-O 2.9Å; S139-S160 PolarHBondContact O-N 3.28Å
140	V	97.9	Very high	96.4	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	126.3	-176.1	-170.3	0	0	0	0	108.8	S102 L103 I138 L142 A156 S158 I201	S102-V140 CarbonylContact C-O 3.49Å; S102-V140 WeakPolarHBondContact CA-O 3.49Å; L103-V140 HydrophobicContact CB-CB 4.3Å; L103-V140 PolarHBondContact N-O 3Å; L103-V140 PolarHBondContact O-N 3.08Å; I138-V140 HydrophobicContact CG2-CG2 3.88Å; V140-L142 HydrophobicContact CG1-CD2 3.95Å; V140-A156 HydrophobicContact CG1-CB 4.06Å; V140-S158 WeakPolarHBondContact CA-O 3.49Å; V140-S158 WeakPolarHBondContact CG1-O 3.24Å; V140-I201 HydrophobicContact CG1-CG2 3.97Å; V140-I201 HydrophobicContact CG2-CD1 4.13Å; V140-I201 HydrophobicContact CG2-CG2 3.81Å
141	N	97.6	Very high	96.4	Very high	44 Å²	44	37.7 Å²	37.7	24%	0.235	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	124	169.3	-65.7	-23.3	0	0	0	109.3	S102 A156 S157 S158	S102-N141 PolarHBondContact OG-OD1 3.22Å; N141-A156 CarbonylContact O-C 3.56Å; N141-A156 WeakPolarHBondContact O-CA 3.04Å; N141-S157 WeakPolarHBondContact CB-OG 3.39Å; N141-S157 PolarHBondContact O-N 3.21Å; N141-S157 PolarHBondContact O-OG 2.89Å; N141-S158 WeakPolarHBondContact CB-OG 3.5Å; N141-S158 PolarHBondContact N-O 3.41Å; N141-S158 VanDerWaalsContact N-O 3.1Å; N141-S158 PolarHBondContact ND2-OG 2.97Å; N141-S158 VanDerWaalsContact ND2-OG 3.09Å
142	L	97.5	Very high	96.4	Very high	12 Å²	12	38.1 Å²	38.1	6%	0.063	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	109	177.7	-59.5	176.8	0	0	0	108.7	L93 L101 V140 V154 T155 A156 V205 L209	L93-L142 HydrophobicContact CD1-CD1 4.21Å; L101-L142 HydrophobicContact CB-CB 4.25Å; L101-L142 PolarHBondContact N-O 2.83Å; L101-L142 PolarHBondContact O-N 3.16Å; V140-L142 HydrophobicContact CG1-CD2 3.95Å; L142-V154 HydrophobicContact CB-CG2 4.12Å; L142-V154 HydrophobicContact CD2-CG2 4.32Å; L142-T155 CarbonylContact C-O 3.55Å; L142-T155 WeakPolarHBondContact CA-O 3.28Å; L142-A156 HydrophobicContact CD2-CB 4.49Å; L142-V205 HydrophobicContact CD2-CG1 4.29Å; L142-V205 HydrophobicContact CD2-CG2 3.81Å; L142-L209 HydrophobicContact CD1-CD2 4.4Å
143	L	96.6	Very high	96.3	Very high	81 Å²	81	38 Å²	38	42%	0.424	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	117.1	174.2	-179.2	66.1	0	0	0	108.9	Q99 V154 T155	Q99-L143 WeakPolarHBondContact O-CD1 3.42Å; L143-V154 WeakPolarHBondContact O-CA 3.27Å; L143-T155 PolarHBondContact N-O 3.42Å; L143-T155 PolarHBondContact O-N 3.04Å
144	L	95.9	Very high	96.3	Very high	22 Å²	22	38 Å²	38	12%	0.115	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	138.9	176.5	-58.9	178.8	0	0	0	110.1	L101 T153 V154 P236 L243	L101-L144 HydrophobicContact CD1-CD1 4.01Å; L101-L144 HydrophobicContact CG-CD1 3.89Å; L144-T153 WeakPolarHBondContact CA-O 3.47Å; L144-V154 HydrophobicContact CD2-CB 3.97Å; L144-V154 HydrophobicContact CD2-CG2 3.81Å; L144-P236 HydrophobicContact CB-CB 4.09Å; L144-P236 HydrophobicContact CB-CG 4.22Å; L144-P236 HydrophobicContact CD1-CB 3.95Å; L144-L243 HydrophobicContact CD1-CD1 3.54Å; L144-L243 HydrophobicContact CD1-CD2 3.89Å; L144-L243 HydrophobicContact CD1-CG 4.36Å
145	G	95	Very high	96.3	Very high	15 Å²	15	38.1 Å²	38.1	16%	0.155	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	-175.3	-179.4	0	0	0	0	0	112.7	P152 T153 P236	G145-P152 WeakPolarHBondContact O-CA 3.36Å; G145-T153 VanDerWaalsContact CA-OG1 3.23Å; G145-T153 WeakPolarHBondContact CA-OG1 3.29Å; G145-T153 PolarHBondContact N-O 3.27Å; G145-T153 PolarHBondContact O-N 3.17Å; G145-T153 PolarHBondContact O-OG1 2.84Å; G145-P236 WeakPolarHBondContact O-CD 3.44Å
146	S	94.6	Very high	96.3	Very high	50 Å²	50	38.7 Å²	38.7	35%	0.35	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	137.6	173.1	57.2	0	0	0	0	110.3	R151 A235	S146-R151 CarbonylContact C-O 3.54Å; S146-R151 WeakPolarHBondContact CA-O 3.35Å; S146-A235 PolarHBondContact OG-N 3.14Å
147	E	94.1	Very high	96.2	Very high	74 Å²	74	42.1 Å²	42.1	35%	0.346	26%	0.259	S	S	.	.			trans	-78.5	159.9	168.6	-80.1	169.6	-159.6	0	0	111.4	S149 G150 R151 T153 Q214	E147-S149 VanDerWaalsContact CB-OG 3.28Å; E147-S149 WeakPolarHBondContact CB-OG 3.42Å; E147-S149 PolarHBondContact O-N 2.88Å; E147-S149 VanDerWaalsContact O-N 3.11Å; E147-S149 PolarHBondContact OE2-OG 2.85Å; E147-G150 PolarHBondContact O-N 3.06Å; E147-R151 HydrophobicContact CB-CB 4.48Å; E147-R151 PolarHBondContact N-O 3.27Å; E147-T153 HydrophobicContact CG-CG2 3.58Å; E147-Q214 PolarHBondContact OE1-NE2 3.34Å; E147-Q214 VanDerWaalsContact OE1-NE2 3.08Å
148	S	92.7	Very high	96.1	Very high	142 Å²	142	42.3 Å²	42.3	99%	0.993	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-18.4	168.5	56.6	0	0	0	0	113.5	G150	S148-G150 PolarHBondContact O-N 3.49Å
149	S	93.1	Very high	96.1	Very high	50 Å²	50	43.4 Å²	43.4	35%	0.35	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-5.9	172.4	69.8	0	0	0	0	113.6	E147 R151 V218	E147-S149 VanDerWaalsContact CB-OG 3.28Å; E147-S149 WeakPolarHBondContact CB-OG 3.42Å; E147-S149 PolarHBondContact O-N 2.88Å; E147-S149 VanDerWaalsContact O-N 3.11Å; E147-S149 PolarHBondContact OE2-OG 2.85Å; S149-R151 VanDerWaalsContact C-N 3.32Å; S149-R151 WeakPolarHBondContact OG-CB 3.4Å; S149-R151 WeakPolarHBondContact OG-CG 3.18Å; S149-R151 PolarHBondContact OG-N 2.8Å; S149-V218 WeakPolarHBondContact O-CG1 3.23Å
150	G	94.5	Very high	96.1	Very high	6 Å²	6	44.1 Å²	44.1	6%	0.062	27%	0.273	C	S	.	.	S	Bend	trans	79.8	8.9	-173.6	0	0	0	0	0	114.1	E147 S148 L232	E147-G150 PolarHBondContact O-N 3.06Å; S148-G150 PolarHBondContact O-N 3.49Å; G150-L232 WeakPolarHBondContact O-CG 3.05Å; G150-L232 PolarHBondContact O-N 3.36Å
151	R	96.6	Very high	96	Very high	91 Å²	91	44.5 Å²	44.5	34%	0.343	28%	0.276	S	S	.	.			trans	-88.1	146.4	178.4	-67.8	-179.2	-178.7	-78	-5.1	112.3	S146 E147 S149 Q214 V218	S146-R151 CarbonylContact C-O 3.54Å; S146-R151 WeakPolarHBondContact CA-O 3.35Å; E147-R151 HydrophobicContact CB-CB 4.48Å; E147-R151 PolarHBondContact N-O 3.27Å; S149-R151 VanDerWaalsContact C-N 3.32Å; S149-R151 WeakPolarHBondContact OG-CB 3.4Å; S149-R151 WeakPolarHBondContact OG-CG 3.18Å; S149-R151 PolarHBondContact OG-N 2.8Å; R151-Q214 PolarHBondContact NH1-O 2.89Å; R151-V218 HydrophobicContact CB-CG2 4.48Å; R151-V218 HydrophobicContact CG-CG2 3.36Å
152	P	96.3	Very high	96	Very high	11 Å²	11	46.1 Å²	46.1	7%	0.071	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	148.7	170.9	28.7	-33.9	0	0	0	111.5	G145 L213 L216 L232	G145-P152 WeakPolarHBondContact O-CA 3.36Å; P152-L213 HydrophobicContact CG-CB 4.2Å; P152-L213 WeakPolarHBondContact CG-O 3.37Å; P152-L216 HydrophobicContact CG-CB 4.47Å; P152-L216 HydrophobicContact CG-CD2 4.21Å; P152-L232 HydrophobicContact CB-CD1 3.89Å
153	T	97.1	Very high	96	Very high	30 Å²	30	46.2 Å²	46.2	18%	0.184	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	154.2	169.8	57	0	0	0	0	111	L144 G145 E147	L144-T153 WeakPolarHBondContact CA-O 3.47Å; G145-T153 VanDerWaalsContact CA-OG1 3.23Å; G145-T153 WeakPolarHBondContact CA-OG1 3.29Å; G145-T153 PolarHBondContact N-O 3.27Å; G145-T153 PolarHBondContact O-N 3.17Å; G145-T153 PolarHBondContact O-OG1 2.84Å; E147-T153 HydrophobicContact CG-CG2 3.58Å
154	V	97.1	Very high	96	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.006	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	135.9	174.8	60.2	0	0	0	0	110	L142 L143 L144 V205 L209 Q210 L213	L142-V154 HydrophobicContact CB-CG2 4.12Å; L142-V154 HydrophobicContact CD2-CG2 4.32Å; L143-V154 WeakPolarHBondContact O-CA 3.27Å; L144-V154 HydrophobicContact CD2-CB 3.97Å; L144-V154 HydrophobicContact CD2-CG2 3.81Å; V154-V205 HydrophobicContact CG1-CG1 4.32Å; V154-V205 HydrophobicContact CG2-CG1 4.17Å; V154-L209 HydrophobicContact CG1-CB 4.47Å; V154-L209 HydrophobicContact CG1-CD2 4.15Å; V154-L209 HydrophobicContact CG1-CG 4Å; V154-L209 HydrophobicContact CG2-CD2 4.12Å; V154-Q210 HydrophobicContact CG1-CB 3.78Å; V154-Q210 PolarHBondContact O-OE1 2.8Å; V154-L213 HydrophobicContact CB-CD1 3.88Å; V154-L213 HydrophobicContact CG1-CD1 3.65Å
155	T	96.8	Very high	96	Very high	68 Å²	68	50.7 Å²	50.7	42%	0.417	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	146.6	175.5	56.4	0	0	0	0	110.3	L142 L143 S157	L142-T155 CarbonylContact C-O 3.55Å; L142-T155 WeakPolarHBondContact CA-O 3.28Å; L143-T155 PolarHBondContact N-O 3.42Å; L143-T155 PolarHBondContact O-N 3.04Å; T155-S157 PolarHBondContact O-N 3.39Å
156	A	97.1	Very high	96.1	Very high	21 Å²	21	50.2 Å²	50.2	17%	0.174	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	96.3	170.3	0	0	0	0	0	108.6	V140 N141 L142 S158 Q202 V205	V140-A156 HydrophobicContact CG1-CB 4.06Å; N141-A156 CarbonylContact O-C 3.56Å; N141-A156 WeakPolarHBondContact O-CA 3.04Å; L142-A156 HydrophobicContact CD2-CB 4.49Å; A156-S158 VanDerWaalsContact C-N 3.33Å; A156-Q202 HydrophobicContact CB-CG 4.1Å; A156-V205 HydrophobicContact CB-CB 4.32Å; A156-V205 HydrophobicContact CB-CG1 4.33Å; A156-V205 HydrophobicContact CB-CG2 4.22Å
157	S	94.9	Very high	96.2	Very high	73 Å²	73	52 Å²	52	51%	0.51	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	-27.9	-177	60.8	0	0	0	0	112.5	N141 T155	N141-S157 WeakPolarHBondContact CB-OG 3.39Å; N141-S157 PolarHBondContact O-N 3.21Å; N141-S157 PolarHBondContact O-OG 2.89Å; T155-S157 PolarHBondContact O-N 3.39Å
158	S	95.9	Very high	96.3	Very high	47 Å²	47	49.6 Å²	49.6	33%	0.329	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	154	169.8	68.8	0	0	0	0	110.8	V140 N141 A156	V140-S158 WeakPolarHBondContact CA-O 3.49Å; V140-S158 WeakPolarHBondContact CG1-O 3.24Å; N141-S158 WeakPolarHBondContact CB-OG 3.5Å; N141-S158 PolarHBondContact N-O 3.41Å; N141-S158 VanDerWaalsContact N-O 3.1Å; N141-S158 PolarHBondContact ND2-OG 2.97Å; N141-S158 VanDerWaalsContact ND2-OG 3.09Å; A156-S158 VanDerWaalsContact C-N 3.33Å
159	C	97.9	Very high	96.4	Very high	30 Å²	30	48.2 Å²	48.2	20%	0.203	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	133.9	167.3	177.9	0	0	0	0	109.1	S139 C198	S139-C159 CarbonylContact O-C 3.47Å; S139-C159 VanDerWaalsContact O-CA 3.32Å; S139-C159 WeakPolarHBondContact O-CA 3.1Å; C159-C198 HydrophobicContact CB-CB 3.71Å; C159-C198 WeakPolarHBondContact CB-SG 2.84Å; C159-C198 WeakPolarHBondContact SG-CA 3.36Å; C159-C198 WeakPolarHBondContact SG-CB 3.3Å; C159-C198 CovalentContact SG-SG 2.05Å; C159-C198 PolarHBondContact SG-SG 2.85Å
160	S	97.9	Very high	96.4	Very high	58 Å²	58	46.5 Å²	46.5	41%	0.406	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	147.7	167.4	64.4	0	0	0	0	109.8	I138 S139	I138-S160 CarbonylContact C-O 3.55Å; I138-S160 WeakPolarHBondContact CA-O 3.5Å; S139-S160 PolarHBondContact N-O 2.9Å; S139-S160 PolarHBondContact O-N 3.28Å
161	S	97.6	Very high	96.2	Very high	8 Å²	8	48.2 Å²	48.2	6%	0.056	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	135.1	173.3	176.2	0	0	0	0	109.5	S137 K194	S137-S161 CarbonylContact O-C 3.59Å; S137-S161 WeakPolarHBondContact O-CA 3.33Å; S137-S161 PolarHBondContact O-OG 3.36Å; S161-K194 WeakPolarHBondContact O-CD 3.39Å; S161-K194 VanDerWaalsContact O-CG 3.26Å; S161-K194 WeakPolarHBondContact O-CG 3.47Å
162	D	97.6	Very high	95.5	Very high	78 Å²	78	46.7 Å²	46.7	42%	0.417	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	156.1	176.8	-72.2	-62.1	0	0	0	111.6	I136 S137 K194	I136-D162 WeakPolarHBondContact CA-O 3.34Å; S137-D162 PolarHBondContact N-O 3.4Å; S137-D162 PolarHBondContact O-N 3.12Å; S137-D162 WeakPolarHBondContact OG-CB 3.44Å; D162-K194 IonicContact OD1-NZ 3.07Å; D162-K194 PolarHBondContact OD1-NZ 3.45Å
163	I	97.4	Very high	94.8	Very high	15 Å²	15	54 Å²	54	8%	0.077	33%	0.327	C	S	.	.			trans	-135.7	124.2	-172.9	-64.9	170.5	0	0	0	105.8	V133 I136 V166 Q190 L193 K194	V133-I163 HydrophobicContact CG1-CB 4.34Å; V133-I163 HydrophobicContact CG1-CD1 4.01Å; V133-I163 HydrophobicContact CG1-CG1 4Å; V133-I163 HydrophobicContact CG1-CG2 3.44Å; V133-I163 VanDerWaalsContact CG1-CG2 3.44Å; I136-I163 HydrophobicContact CG1-CG1 4.33Å; I163-V166 HydrophobicContact CG2-CG2 3.85Å; I163-Q190 HydrophobicContact CD1-CB 4.13Å; I163-Q190 HydrophobicContact CD1-CG 4.19Å; I163-Q190 HydrophobicContact CG2-CG 4.5Å; I163-L193 HydrophobicContact CD1-CB 4.41Å; I163-L193 HydrophobicContact CD1-CD2 4.02Å; I163-L193 HydrophobicContact CD1-CG 4.4Å; I163-K194 HydrophobicContact CD1-CD 4.45Å; I163-K194 HydrophobicContact CD1-CG 3.78Å; I163-K194 HydrophobicContact CG1-CG 4.1Å
164	D	96.2	Very high	94.1	Very high	129 Å²	129	54.8 Å²	54.8	69%	0.69	33%	0.329	S	S	*	.			trans	-85.3	-43	179.8	-66.8	-21.9	0	0	0	111.8	K134 G135	K134-D164 PolarHBondContact O-N 3.28Å; G135-D164 WeakPolarHBondContact CA-OD2 3.42Å; G135-D164 PolarHBondContact O-N 3.41Å
165	D	96.2	Very high	93.7	Very high	67 Å²	67	56.5 Å²	56.5	36%	0.358	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	146	-171	-179.7	49.4	0	0	0	113.2	K134	K134-D165 HydrophobicContact CB-CB 4.3Å; K134-D165 PolarHBondContact N-O 2.77Å; K134-D165 PolarHBondContact O-N 3.46Å
166	V	97.4	Very high	93.3	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.03	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	106.4	179.4	-178.7	0	0	0	0	109.4	V131 V133 I163 V168 F181 E186 F189 Q190	V131-V166 HydrophobicContact CG1-CG1 3.54Å; V133-V166 HydrophobicContact CG1-CG2 4.48Å; I163-V166 HydrophobicContact CG2-CG2 3.85Å; V166-V168 HydrophobicContact CG1-CG2 4.19Å; V166-F181 HydrophobicContact CG1-CE1 4.38Å; V166-E186 HydrophobicContact CB-CG 4.24Å; V166-E186 HydrophobicContact CG1-CG 4.27Å; V166-F189 HydrophobicContact CG1-CE1 4.43Å; V166-Q190 HydrophobicContact CG2-CG 3.78Å
167	E	96.6	Very high	93.1	Very high	89 Å²	89	54.6 Å²	54.6	42%	0.416	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	136.9	173.8	-70.5	175.1	-178.4	0	0	110.3	V131 S132 K134	V131-E167 CarbonylContact C-O 3.54Å; V131-E167 WeakPolarHBondContact CA-O 3.47Å; S132-E167 PolarHBondContact N-O 3.41Å; S132-E167 PolarHBondContact O-N 3.36Å; K134-E167 WeakPolarHBondContact CE-OE2 3.4Å; K134-E167 IonicContact NZ-OE1 3.69Å; K134-E167 PolarHBondContact NZ-OE1 2.78Å; K134-E167 IonicContact NZ-OE2 2.82Å; K134-E167 PolarHBondContact NZ-OE2 3.12Å
168	V	96.1	Very high	92.9	Very high	22 Å²	22	53.8 Å²	53.8	13%	0.133	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	128	-177.8	-174	0	0	0	0	109.6	D130 V131 V166 M170 L178 F181	D130-V168 WeakPolarHBondContact O-CA 3.46Å; V131-V168 HydrophobicContact CG1-CG2 4.33Å; V131-V168 HydrophobicContact CG2-CG1 4.45Å; V131-V168 HydrophobicContact CG2-CG2 4.34Å; V166-V168 HydrophobicContact CG1-CG2 4.19Å; V168-M170 HydrophobicContact CG1-CE 3.76Å; V168-M170 HydrophobicContact CG1-CG 4.02Å; V168-L178 HydrophobicContact CB-CD2 4.28Å; V168-L178 HydrophobicContact CG1-CD2 4.18Å; V168-L178 WeakPolarHBondContact O-CD2 3.5Å; V168-F181 HydrophobicContact CG1-CG 4.45Å; V168-F181 HydrophobicContact CG2-CD1 3.59Å; V168-F181 HydrophobicContact CG2-CE1 3.39Å; V168-F181 HydrophobicContact CG2-CG 4.27Å; V168-F181 HydrophobicContact CG2-CZ 3.91Å
169	D	94	Very high	92.7	Very high	113 Å²	113	56.2 Å²	56.2	60%	0.604	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.7	135.7	168.9	-168.8	0.3	0	0	0	109.1	F129 D130	F129-D169 CarbonylContact C-O 3.44Å; F129-D169 WeakPolarHBondContact CA-O 3.34Å; F129-D169 WeakPolarHBondContact CB-O 3.44Å; D130-D169 HydrophobicContact CB-CB 4.47Å; D130-D169 PolarHBondContact N-O 3.07Å; D130-D169 PolarHBondContact O-N 3.08Å
170	M	93.4	Very high	92.5	Very high	14 Å²	14	55.2 Å²	55.2	7%	0.069	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	134.3	-177.8	-66.7	-170.4	-177.8	0	0	110.1	F78 F129 V168 G172 L177 L178 F181	F78-M170 HydrophobicContact CE1-CE 3.65Å; F78-M170 HydrophobicContact CE1-SD 4.49Å; F78-M170 HydrophobicContact CZ-CE 3.79Å; F129-M170 HydrophobicContact CB-CG 4.05Å; V168-M170 HydrophobicContact CG1-CE 3.76Å; V168-M170 HydrophobicContact CG1-CG 4.02Å; M170-G172 PolarHBondContact O-N 2.66Å; M170-L177 HydrophobicContact CE-CG 4.3Å; M170-L177 WeakPolarHBondContact CE-O 3.1Å; M170-L177 HydrophobicContact SD-CB 3.88Å; M170-L177 HydrophobicContact SD-CD2 3.68Å; M170-L177 HydrophobicContact SD-CG 3.51Å; M170-L177 VanDerWaalsContact SD-CG 3.51Å; M170-L178 HydrophobicContact CB-CD2 4.24Å; M170-L178 HydrophobicContact CE-CD2 4.09Å; M170-L178 HydrophobicContact CG-CD2 3.68Å; M170-L178 HydrophobicContact CG-CG 4.27Å; M170-L178 HydrophobicContact SD-CD2 3.89Å; M170-L178 HydrophobicContact SD-CG 4.03Å; M170-F181 HydrophobicContact CE-CB 3.5Å; M170-F181 HydrophobicContact CE-CD2 4.09Å; M170-F181 HydrophobicContact CE-CG 4.04Å
171	S	89.9	Confident	92.4	Very high	43 Å²	43	52.6 Å²	52.6	30%	0.301	30%	0.301	S	S	.	.	S	Bend	trans	-64.2	126.3	174.4	70.9	0	0	0	0	110.6	W116 G127 S128	W116-S171 WeakPolarHBondContact CZ2-O 3.35Å; W116-S171 PolarHBondContact NE1-OG 2.72Å; G127-S171 VanDerWaalsContact CA-OG 3.23Å; G127-S171 WeakPolarHBondContact CA-OG 3.48Å; S128-S171 PolarHBondContact N-OG 3.34Å; S128-S171 WeakPolarHBondContact O-CB 3.22Å; S128-S171 PolarHBondContact O-N 2.87Å; S128-S171 PolarHBondContact O-OG 3.32Å; S128-S171 VanDerWaalsContact O-OG 3.11Å
172	G	82.5	Confident	92.2	Very high	58 Å²	58	55.8 Å²	55.8	60%	0.598	32%	0.315	S	S	*	.	S	Bend	trans	95.4	153.4	177.6	0	0	0	0	0	113.3	M170 L174	M170-G172 PolarHBondContact O-N 2.66Å; G172-L174 PolarHBondContact O-N 2.71Å
173	D	81	Confident	92	Very high	166 Å²	166	58.3 Å²	58.3	89%	0.888	33%	0.328	S	S	*	.	S	Bend	trans	-82.3	63.6	-175.9	-168.4	16.6	0	0	0	111.7
174	L	83.4	Confident	91.8	Very high	45 Å²	45	61 Å²	61	24%	0.236	34%	0.341	C	S	.	.			trans	-114.2	69.1	-177.2	-60.9	179.1	0	0	0	111.3	W116 L125 G172 W176 L177	W116-L174 HydrophobicContact CH2-CD1 3.57Å; W116-L174 HydrophobicContact CZ2-CD1 4.04Å; W116-L174 HydrophobicContact CZ3-CD1 4.29Å; L125-L174 HydrophobicContact CD1-CD1 4.41Å; G172-L174 PolarHBondContact O-N 2.71Å; L174-W176 PolarHBondContact O-N 3.49Å; L174-L177 HydrophobicContact CB-CB 4Å; L174-L177 HydrophobicContact CD1-CD2 4.38Å; L174-L177 WeakPolarHBondContact O-CB 3.38Å; L174-L177 PolarHBondContact O-N 3.4Å
175	G	87.1	Confident	91.8	Very high	38 Å²	38	55 Å²	55	39%	0.392	31%	0.308	S	S	.	.	H	α-helix	trans	-54.6	-27	-179.9	0	0	0	0	0	115.3	L177 L178 N179	G175-L177 VanDerWaalsContact C-N 3.31Å; G175-L177 PolarHBondContact O-N 3.36Å; G175-L178 PolarHBondContact O-N 3.04Å; G175-N179 PolarHBondContact O-N 2.96Å; G175-N179 PolarHBondContact O-ND2 2.84Å
176	W	89.9	Confident	91.9	Very high	49 Å²	49	53.8 Å²	53.8	19%	0.186	30%	0.301	C	S	.	.	H	α-helix	trans	-69.5	-26.8	174.5	71.1	-93.3	0	0	0	113.5	V66 I68 P69 V118 L174 L180	V66-W176 HydrophobicContact CG1-CZ3 4.23Å; V66-W176 HydrophobicContact CG2-CE3 4.19Å; V66-W176 HydrophobicContact CG2-CZ3 3.73Å; I68-W176 HydrophobicContact CG1-CH2 4.01Å; I68-W176 HydrophobicContact CG1-CZ2 4.49Å; I68-W176 HydrophobicContact CG1-CZ3 4.3Å; I68-W176 HydrophobicContact CG2-CH2 4.3Å; I68-W176 HydrophobicContact CG2-CZ2 3.96Å; P69-W176 HydrophobicContact CG-CB 3.61Å; P69-W176 HydrophobicContact CG-CD2 4.49Å; P69-W176 HydrophobicContact CG-CG 3.8Å; V118-W176 HydrophobicContact CB-CH2 4.49Å; V118-W176 HydrophobicContact CG1-CH2 3.98Å; V118-W176 HydrophobicContact CG2-CH2 3.9Å; L174-W176 PolarHBondContact O-N 3.49Å; W176-L180 HydrophobicContact CZ3-CD2 4.39Å; W176-L180 PolarHBondContact O-N 3.1Å
177	L	91.3	Very high	91.8	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-76.8	-35.8	178.6	-170	67.2	0	0	0	110.9	F78 W116 V118 M170 L174 G175 L180 F181	F78-L177 HydrophobicContact CE2-CD1 4.36Å; F78-L177 HydrophobicContact CZ-CD1 4.03Å; F78-L177 HydrophobicContact CZ-CG 4.15Å; W116-L177 HydrophobicContact CD2-CD2 3.56Å; W116-L177 HydrophobicContact CE3-CD2 3.74Å; W116-L177 HydrophobicContact CG-CD2 4Å; W116-L177 HydrophobicContact CH2-CD2 4.28Å; W116-L177 HydrophobicContact CZ2-CD2 4.13Å; W116-L177 HydrophobicContact CZ3-CD2 4.09Å; V118-L177 HydrophobicContact CG2-CD1 3.98Å; M170-L177 HydrophobicContact CE-CG 4.3Å; M170-L177 WeakPolarHBondContact CE-O 3.1Å; M170-L177 HydrophobicContact SD-CB 3.88Å; M170-L177 HydrophobicContact SD-CD2 3.68Å; M170-L177 HydrophobicContact SD-CG 3.51Å; M170-L177 VanDerWaalsContact SD-CG 3.51Å; L174-L177 HydrophobicContact CB-CB 4Å; L174-L177 HydrophobicContact CD1-CD2 4.38Å; L174-L177 WeakPolarHBondContact O-CB 3.38Å; L174-L177 PolarHBondContact O-N 3.4Å; G175-L177 VanDerWaalsContact C-N 3.31Å; G175-L177 PolarHBondContact O-N 3.36Å; L177-L180 HydrophobicContact CD1-CD2 3.82Å; L177-L180 WeakPolarHBondContact O-CB 3.28Å; L177-L180 PolarHBondContact O-N 3.13Å; L177-F181 PolarHBondContact O-N 3.25Å
178	L	92	Very high	91.8	Very high	55 Å²	55	58.5 Å²	58.5	29%	0.288	33%	0.329	S	S	.	.	H	α-helix	trans	-59.2	-50	168	-73.7	167.2	0	0	0	110.5	V168 M170 G175 L180 F181 H182	V168-L178 HydrophobicContact CB-CD2 4.28Å; V168-L178 HydrophobicContact CG1-CD2 4.18Å; V168-L178 WeakPolarHBondContact O-CD2 3.5Å; M170-L178 HydrophobicContact CB-CD2 4.24Å; M170-L178 HydrophobicContact CE-CD2 4.09Å; M170-L178 HydrophobicContact CG-CD2 3.68Å; M170-L178 HydrophobicContact CG-CG 4.27Å; M170-L178 HydrophobicContact SD-CD2 3.89Å; M170-L178 HydrophobicContact SD-CG 4.03Å; G175-L178 PolarHBondContact O-N 3.04Å; L178-L180 VanDerWaalsContact C-N 3.26Å; L178-L180 PolarHBondContact O-N 3.42Å; L178-F181 WeakPolarHBondContact O-CB 3.49Å; L178-F181 PolarHBondContact O-N 3.07Å; L178-H182 PolarHBondContact O-CD2 2.83Å; L178-H182 PolarHBondContact O-N 2.77Å; L178-H182 VanDerWaalsContact O-N 3.1Å
179	N	92.2	Very high	91.9	Very high	99 Å²	99	57.5 Å²	57.5	53%	0.529	32%	0.323	S	S	.	.	H	α-helix	trans	-59.7	-35.4	175.7	-71.5	-26.2	0	0	0	112.7	G175 N183	G175-N179 PolarHBondContact O-N 2.96Å; G175-N179 PolarHBondContact O-ND2 2.84Å; N179-N183 WeakPolarHBondContact O-CB 3.32Å; N179-N183 VanDerWaalsContact O-CG 3.3Å; N179-N183 PolarHBondContact O-N 2.95Å; N179-N183 VanDerWaalsContact O-N 3.1Å; N179-N183 PolarHBondContact O-ND2 2.9Å
180	L	92.9	Very high	92	Very high	9 Å²	9	54.1 Å²	54.1	5%	0.047	30%	0.304	C	S	.	.	H	α-helix	trans	-62	-45	174.3	174.3	69.4	0	0	0	111.2	V66 Y76 F78 W176 L177 L178 N183 Q184	V66-L180 HydrophobicContact CB-CD1 4.01Å; V66-L180 HydrophobicContact CB-CD2 4.05Å; V66-L180 HydrophobicContact CG1-CD2 4.48Å; V66-L180 HydrophobicContact CG2-CD1 3.71Å; V66-L180 HydrophobicContact CG2-CD2 3.93Å; V66-L180 HydrophobicContact CG2-CG 4.29Å; Y76-L180 HydrophobicContact CD1-CD1 4.26Å; Y76-L180 HydrophobicContact CD1-CD2 3.67Å; Y76-L180 HydrophobicContact CD1-CG 4.45Å; Y76-L180 HydrophobicContact CD2-CD2 4.31Å; Y76-L180 HydrophobicContact CE1-CD1 3.95Å; Y76-L180 HydrophobicContact CE1-CD2 4.09Å; Y76-L180 HydrophobicContact CE1-CG 4.39Å; Y76-L180 HydrophobicContact CG-CD2 3.75Å; F78-L180 HydrophobicContact CE2-CD2 4.4Å; W176-L180 HydrophobicContact CZ3-CD2 4.39Å; W176-L180 PolarHBondContact O-N 3.1Å; L177-L180 HydrophobicContact CD1-CD2 3.82Å; L177-L180 WeakPolarHBondContact O-CB 3.28Å; L177-L180 PolarHBondContact O-N 3.13Å; L178-L180 VanDerWaalsContact C-N 3.26Å; L178-L180 PolarHBondContact O-N 3.42Å; L180-N183 PolarHBondContact O-N 3.01Å; L180-Q184 HydrophobicContact CD1-CB 4.28Å; L180-Q184 VanDerWaalsContact CD1-CD 3.46Å; L180-Q184 HydrophobicContact CD1-CG 3.93Å; L180-Q184 WeakPolarHBondContact O-CB 3.21Å; L180-Q184 PolarHBondContact O-N 2.65Å
181	F	95.1	Very high	92.2	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.009	33%	0.334	C	S	.	.	I	π-helix	trans	-60.7	-53.4	-180	-174.9	-78	0	0	0	111	F78 F129 V131 V166 V168 M170 L177 L178 N183 Q184 I185 E186 F189	F78-F181 HydrophobicContact CD1-CD2 4.25Å; F78-F181 AromaticContact CE1-CD2 3.94Å; F78-F181 HydrophobicContact CE1-CD2 3.94Å; F78-F181 HydrophobicContact CZ-CD2 4.29Å; F129-F181 HydrophobicContact CE2-CE2 4.44Å; V131-F181 HydrophobicContact CG2-CE2 4.35Å; V131-F181 HydrophobicContact CG2-CZ 4.1Å; V166-F181 HydrophobicContact CG1-CE1 4.38Å; V168-F181 HydrophobicContact CG1-CG 4.45Å; V168-F181 HydrophobicContact CG2-CD1 3.59Å; V168-F181 HydrophobicContact CG2-CE1 3.39Å; V168-F181 HydrophobicContact CG2-CG 4.27Å; V168-F181 HydrophobicContact CG2-CZ 3.91Å; M170-F181 HydrophobicContact CE-CB 3.5Å; M170-F181 HydrophobicContact CE-CD2 4.09Å; M170-F181 HydrophobicContact CE-CG 4.04Å; L177-F181 PolarHBondContact O-N 3.25Å; L178-F181 WeakPolarHBondContact O-CB 3.49Å; L178-F181 PolarHBondContact O-N 3.07Å; F181-N183 VanDerWaalsContact C-N 3.3Å; F181-N183 PolarHBondContact O-N 2.86Å; F181-Q184 PolarHBondContact O-N 2.84Å; F181-I185 HydrophobicContact CD2-CB 3.97Å; F181-I185 HydrophobicContact CD2-CD1 4.1Å; F181-I185 HydrophobicContact CD2-CG2 3.87Å; F181-I185 HydrophobicContact CE2-CB 4.26Å; F181-I185 HydrophobicContact CE2-CG2 3.7Å; F181-I185 HydrophobicContact CG-CB 4.17Å; F181-I185 HydrophobicContact CG-CG2 4.5Å; F181-I185 HydrophobicContact CZ-CG2 4.18Å; F181-I185 CarbonylContact O-C 3.57Å; F181-I185 WeakPolarHBondContact O-CA 3.31Å; F181-I185 WeakPolarHBondContact O-CB 3.17Å; F181-I185 PolarHBondContact O-N 2.82Å; F181-E186 HydrophobicContact CD1-CB 4.05Å; F181-E186 HydrophobicContact CE1-CB 3.88Å; F181-E186 HydrophobicContact CE1-CG 4.21Å; F181-E186 PolarHBondContact O-N 3.29Å; F181-F189 HydrophobicContact CZ-CG 4.41Å
182	H	94.5	Very high	92.6	Very high	76 Å²	76	61 Å²	61	35%	0.352	33%	0.331	S	S	.	.	I	π-helix	trans	-57.1	-43	179.7	-69.2	-61.2	0	0	0	112.1	L178 E186	L178-H182 PolarHBondContact O-CD2 2.83Å; L178-H182 PolarHBondContact O-N 2.77Å; L178-H182 VanDerWaalsContact O-N 3.1Å; H182-E186 IonicContact CE1-OE2 3.89Å; H182-E186 IonicContact CG-OE2 3.58Å; H182-E186 IonicContact ND1-OE2 2.7Å; H182-E186 PolarHBondContact ND1-OE2 3.14Å
183	N	93.3	Very high	93.3	Very high	130 Å²	130	58.2 Å²	58.2	70%	0.695	30%	0.302	S	S	*	.	I	π-helix	trans	-79.9	-30.5	-175	-70.8	-50	0	0	0	114.8	N179 L180 F181	N179-N183 WeakPolarHBondContact O-CB 3.32Å; N179-N183 VanDerWaalsContact O-CG 3.3Å; N179-N183 PolarHBondContact O-N 2.95Å; N179-N183 VanDerWaalsContact O-N 3.1Å; N179-N183 PolarHBondContact O-ND2 2.9Å; L180-N183 PolarHBondContact O-N 3.01Å; F181-N183 VanDerWaalsContact C-N 3.3Å; F181-N183 PolarHBondContact O-N 2.86Å
184	Q	93.8	Very high	94.1	Very high	73 Å²	73	52.7 Å²	52.7	34%	0.341	27%	0.271	S	S	.	.	I	π-helix	trans	-119.9	-23.1	-171.3	-64.4	-165.1	22.1	0	0	115.5	Y76 L180 F181 K188	Y76-Q184 PolarHBondContact OH-OE1 2.74Å; L180-Q184 HydrophobicContact CD1-CB 4.28Å; L180-Q184 VanDerWaalsContact CD1-CD 3.46Å; L180-Q184 HydrophobicContact CD1-CG 3.93Å; L180-Q184 WeakPolarHBondContact O-CB 3.21Å; L180-Q184 PolarHBondContact O-N 2.65Å; F181-Q184 PolarHBondContact O-N 2.84Å; Q184-K188 WeakPolarHBondContact O-CD 3.44Å; Q184-K188 WeakPolarHBondContact O-CE 3.27Å
185	I	95.9	Very high	94.8	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	28%	0.279	C	S	.	.	I	π-helix	trans	-114.4	-43.3	-167.5	-55.4	179.2	0	0	0	111	F62 Y76 F78 F181 S187 K188 F189	F62-I185 HydrophobicContact CB-CG2 4.02Å; F62-I185 HydrophobicContact CD1-CG2 3.95Å; F62-I185 HydrophobicContact CD2-CG2 4.24Å; F62-I185 HydrophobicContact CG-CG2 3.8Å; Y76-I185 HydrophobicContact CD2-CD1 4.15Å; Y76-I185 HydrophobicContact CE2-CD1 3.58Å; Y76-I185 HydrophobicContact CE2-CG1 4.05Å; F78-I185 HydrophobicContact CD2-CD1 3.24Å; F78-I185 HydrophobicContact CE2-CD1 3.23Å; F78-I185 HydrophobicContact CG-CD1 3.98Å; F78-I185 HydrophobicContact CZ-CD1 3.97Å; F181-I185 HydrophobicContact CD2-CB 3.97Å; F181-I185 HydrophobicContact CD2-CD1 4.1Å; F181-I185 HydrophobicContact CD2-CG2 3.87Å; F181-I185 HydrophobicContact CE2-CB 4.26Å; F181-I185 HydrophobicContact CE2-CG2 3.7Å; F181-I185 HydrophobicContact CG-CB 4.17Å; F181-I185 HydrophobicContact CG-CG2 4.5Å; F181-I185 HydrophobicContact CZ-CG2 4.18Å; F181-I185 CarbonylContact O-C 3.57Å; F181-I185 WeakPolarHBondContact O-CA 3.31Å; F181-I185 WeakPolarHBondContact O-CB 3.17Å; F181-I185 PolarHBondContact O-N 2.82Å; I185-S187 PolarHBondContact O-N 2.84Å; I185-K188 CarbonylContact O-C 3.59Å; I185-K188 WeakPolarHBondContact O-CA 3.31Å; I185-K188 WeakPolarHBondContact O-CB 3.26Å; I185-K188 PolarHBondContact O-N 2.96Å; I185-F189 HydrophobicContact CG2-CB 4.36Å; I185-F189 WeakPolarHBondContact O-CB 3.49Å; I185-F189 PolarHBondContact O-N 2.95Å
186	E	96.6	Very high	95.3	Very high	42 Å²	42	55.6 Å²	55.6	20%	0.196	28%	0.276	C	S	.	.	H	α-helix	trans	-52.8	-51.5	-170	-172.6	-174.7	150.8	0	0	113.1	V166 F181 H182 K188 F189 Q190	V166-E186 HydrophobicContact CB-CG 4.24Å; V166-E186 HydrophobicContact CG1-CG 4.27Å; F181-E186 HydrophobicContact CD1-CB 4.05Å; F181-E186 HydrophobicContact CE1-CB 3.88Å; F181-E186 HydrophobicContact CE1-CG 4.21Å; F181-E186 PolarHBondContact O-N 3.29Å; H182-E186 IonicContact CE1-OE2 3.89Å; H182-E186 IonicContact CG-OE2 3.58Å; H182-E186 IonicContact ND1-OE2 2.7Å; H182-E186 PolarHBondContact ND1-OE2 3.14Å; E186-K188 VanDerWaalsContact C-N 3.3Å; E186-K188 PolarHBondContact O-N 3.1Å; E186-F189 WeakPolarHBondContact O-CB 3.19Å; E186-F189 PolarHBondContact O-N 2.98Å; E186-Q190 WeakPolarHBondContact O-CB 3.2Å; E186-Q190 WeakPolarHBondContact O-CG 3.39Å; E186-Q190 PolarHBondContact O-N 2.86Å; E186-Q190 PolarHBondContact OE1-NE2 2.98Å; E186-Q190 VanDerWaalsContact OE1-NE2 3.15Å
187	S	96.6	Very high	95.7	Very high	79 Å²	79	53.3 Å²	53.3	55%	0.552	27%	0.267	S	S	*	.	H	α-helix	trans	-61.9	-36.7	178.7	60.8	0	0	0	0	113.1	I185 K191	I185-S187 PolarHBondContact O-N 2.84Å; S187-K191 WeakPolarHBondContact O-CB 3.29Å; S187-K191 PolarHBondContact O-N 2.85Å; S187-K191 VanDerWaalsContact O-N 3.09Å
188	K	96.6	Very high	96.1	Very high	114 Å²	114	54 Å²	54	50%	0.496	27%	0.272	S	S	.	.	H	α-helix	trans	-70.2	-42.9	175.5	-62.1	178.4	-175.1	166.3	0	110.8	F62 Q184 I185 E186 K191 V192	F62-K188 HydrophobicContact CD1-CB 4.32Å; F62-K188 HydrophobicContact CE1-CB 3.93Å; Q184-K188 WeakPolarHBondContact O-CD 3.44Å; Q184-K188 WeakPolarHBondContact O-CE 3.27Å; I185-K188 CarbonylContact O-C 3.59Å; I185-K188 WeakPolarHBondContact O-CA 3.31Å; I185-K188 WeakPolarHBondContact O-CB 3.26Å; I185-K188 PolarHBondContact O-N 2.96Å; E186-K188 VanDerWaalsContact C-N 3.3Å; E186-K188 PolarHBondContact O-N 3.1Å; K188-K191 PolarHBondContact O-N 3.27Å; K188-V192 WeakPolarHBondContact O-CB 3.32Å; K188-V192 VanDerWaalsContact O-CG2 3.24Å; K188-V192 WeakPolarHBondContact O-CG2 3.35Å; K188-V192 PolarHBondContact O-N 2.86Å
189	F	97.1	Very high	96.3	Very high	1 Å²	1	55 Å²	55	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-60.6	-49.7	176.8	169	-95.2	0	0	0	111	L59 F62 L81 V112 V131 V133 V166 F181 I185 E186 K191 V192 L193	L59-F189 HydrophobicContact CD1-CE2 4.09Å; F62-F189 HydrophobicContact CE1-CB 4.39Å; F62-F189 HydrophobicContact CE2-CB 4.45Å; F62-F189 HydrophobicContact CE2-CD2 4.1Å; F62-F189 HydrophobicContact CZ-CB 3.99Å; F62-F189 HydrophobicContact CZ-CD2 4.22Å; L81-F189 HydrophobicContact CD2-CD2 4.15Å; L81-F189 HydrophobicContact CD2-CE2 4.09Å; V112-F189 HydrophobicContact CG2-CE2 4.3Å; V112-F189 HydrophobicContact CG2-CZ 3.97Å; V131-F189 HydrophobicContact CB-CZ 4.39Å; V131-F189 HydrophobicContact CG1-CE1 3.78Å; V131-F189 HydrophobicContact CG1-CZ 3.9Å; V133-F189 HydrophobicContact CG2-CE1 3.71Å; V133-F189 HydrophobicContact CG2-CZ 3.99Å; V166-F189 HydrophobicContact CG1-CE1 4.43Å; F181-F189 HydrophobicContact CZ-CG 4.41Å; I185-F189 HydrophobicContact CG2-CB 4.36Å; I185-F189 WeakPolarHBondContact O-CB 3.49Å; I185-F189 PolarHBondContact O-N 2.95Å; E186-F189 WeakPolarHBondContact O-CB 3.19Å; E186-F189 PolarHBondContact O-N 2.98Å; F189-K191 PolarHBondContact O-N 3.31Å; F189-V192 PolarHBondContact O-N 3.06Å; F189-L193 HydrophobicContact CE1-CD2 4.08Å; F189-L193 HydrophobicContact CZ-CD2 4.01Å; F189-L193 WeakPolarHBondContact O-CB 3.4Å; F189-L193 PolarHBondContact O-N 3.35Å
190	Q	97.6	Very high	96.6	Very high	42 Å²	42	51.2 Å²	51.2	20%	0.196	25%	0.254	C	S	.	.	H	α-helix	trans	-57	-49.1	175.6	-72.6	-179.1	10	0	0	111.1	I163 V166 E186 V192 L193 K194	I163-Q190 HydrophobicContact CD1-CB 4.13Å; I163-Q190 HydrophobicContact CD1-CG 4.19Å; I163-Q190 HydrophobicContact CG2-CG 4.5Å; V166-Q190 HydrophobicContact CG2-CG 3.78Å; E186-Q190 WeakPolarHBondContact O-CB 3.2Å; E186-Q190 WeakPolarHBondContact O-CG 3.39Å; E186-Q190 PolarHBondContact O-N 2.86Å; E186-Q190 PolarHBondContact OE1-NE2 2.98Å; E186-Q190 VanDerWaalsContact OE1-NE2 3.15Å; Q190-V192 VanDerWaalsContact C-N 3.33Å; Q190-V192 PolarHBondContact O-N 3.37Å; Q190-L193 PolarHBondContact O-N 2.96Å; Q190-K194 WeakPolarHBondContact O-CB 3.41Å; Q190-K194 VanDerWaalsContact O-CG 3.24Å; Q190-K194 WeakPolarHBondContact O-CG 3.38Å; Q190-K194 PolarHBondContact O-N 3.37Å
191	K	97.6	Very high	96.8	Very high	163 Å²	163	51 Å²	51	71%	0.709	25%	0.253	S	S	*	.	H	α-helix	trans	-59.4	-43.6	178.9	-174	176.6	-178.6	178	0	112.2	S187 K188 F189 S195	S187-K191 WeakPolarHBondContact O-CB 3.29Å; S187-K191 PolarHBondContact O-N 2.85Å; S187-K191 VanDerWaalsContact O-N 3.09Å; K188-K191 PolarHBondContact O-N 3.27Å; F189-K191 PolarHBondContact O-N 3.31Å; K191-S195 WeakPolarHBondContact O-CB 3.41Å; K191-S195 PolarHBondContact O-N 3.34Å; K191-S195 VanDerWaalsContact O-N 3.08Å
192	V	97.9	Very high	96.9	Very high	38 Å²	38	55.3 Å²	55.3	23%	0.23	27%	0.273	C	S	.	.	H	α-helix	trans	-65.5	-46.3	177.7	167.5	0	0	0	0	111	L59 P60 F62 K188 F189 Q190 S195 R196	L59-V192 HydrophobicContact CD2-CG1 4.11Å; P60-V192 VanDerWaalsContact CD-CG1 3.42Å; P60-V192 HydrophobicContact CG-CG1 3.73Å; P60-V192 HydrophobicContact CG-CG2 4.35Å; F62-V192 HydrophobicContact CE1-CG2 4.46Å; F62-V192 HydrophobicContact CZ-CB 4.44Å; F62-V192 HydrophobicContact CZ-CG2 4.4Å; K188-V192 WeakPolarHBondContact O-CB 3.32Å; K188-V192 VanDerWaalsContact O-CG2 3.24Å; K188-V192 WeakPolarHBondContact O-CG2 3.35Å; K188-V192 PolarHBondContact O-N 2.86Å; F189-V192 PolarHBondContact O-N 3.06Å; Q190-V192 VanDerWaalsContact C-N 3.33Å; Q190-V192 PolarHBondContact O-N 3.37Å; V192-S195 WeakPolarHBondContact O-CB 3.43Å; V192-S195 PolarHBondContact O-N 2.9Å; V192-R196 HydrophobicContact CG1-CG 4.26Å; V192-R196 WeakPolarHBondContact O-CG 3Å; V192-R196 PolarHBondContact O-N 2.81Å
193	L	97.6	Very high	97.1	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.4	-47.5	179.9	-178.4	60.2	0	0	0	111.3	L59 I83 I110 V133 I163 F189 Q190 S195 R196 I197	L59-L193 HydrophobicContact CD2-CD1 4.2Å; I83-L193 HydrophobicContact CD1-CD1 4.27Å; I110-L193 HydrophobicContact CD1-CD1 4.43Å; V133-L193 HydrophobicContact CB-CD2 4.31Å; V133-L193 HydrophobicContact CG1-CD2 4.05Å; V133-L193 HydrophobicContact CG2-CD2 3.79Å; I163-L193 HydrophobicContact CD1-CB 4.41Å; I163-L193 HydrophobicContact CD1-CD2 4.02Å; I163-L193 HydrophobicContact CD1-CG 4.4Å; F189-L193 HydrophobicContact CE1-CD2 4.08Å; F189-L193 HydrophobicContact CZ-CD2 4.01Å; F189-L193 WeakPolarHBondContact O-CB 3.4Å; F189-L193 PolarHBondContact O-N 3.35Å; Q190-L193 PolarHBondContact O-N 2.96Å; L193-S195 VanDerWaalsContact C-N 3.31Å; L193-S195 PolarHBondContact O-N 3.01Å; L193-R196 PolarHBondContact O-N 2.97Å; L193-I197 HydrophobicContact CD1-CD1 4.18Å; L193-I197 HydrophobicContact CD1-CG1 4.28Å; L193-I197 HydrophobicContact CG-CD1 3.96Å; L193-I197 VanDerWaalsContact O-CG1 3.29Å; L193-I197 WeakPolarHBondContact O-CG1 3.31Å; L193-I197 PolarHBondContact O-N 2.9Å
194	K	97.9	Very high	97.2	Very high	51 Å²	51	51.8 Å²	51.8	22%	0.222	25%	0.252	C	S	.	.	H	α-helix	trans	-54.4	-46.2	174.2	-70.4	176	176.9	-154.1	0	111.6	S161 D162 I163 Q190 C198	S161-K194 WeakPolarHBondContact O-CD 3.39Å; S161-K194 VanDerWaalsContact O-CG 3.26Å; S161-K194 WeakPolarHBondContact O-CG 3.47Å; D162-K194 IonicContact OD1-NZ 3.07Å; D162-K194 PolarHBondContact OD1-NZ 3.45Å; I163-K194 HydrophobicContact CD1-CD 4.45Å; I163-K194 HydrophobicContact CD1-CG 3.78Å; I163-K194 HydrophobicContact CG1-CG 4.1Å; Q190-K194 WeakPolarHBondContact O-CB 3.41Å; Q190-K194 VanDerWaalsContact O-CG 3.24Å; Q190-K194 WeakPolarHBondContact O-CG 3.38Å; Q190-K194 PolarHBondContact O-N 3.37Å; K194-C198 PolarHBondContact O-N 2.83Å
195	S	97.9	Very high	97.4	Very high	58 Å²	58	48.9 Å²	48.9	41%	0.406	24%	0.24	S	C	.	.	H	α-helix	trans	-61.2	-49.3	176.6	-164.2	0	0	0	0	111.7	K191 V192 L193 I197 C198 E199	K191-S195 WeakPolarHBondContact O-CB 3.41Å; K191-S195 PolarHBondContact O-N 3.34Å; K191-S195 VanDerWaalsContact O-N 3.08Å; V192-S195 WeakPolarHBondContact O-CB 3.43Å; V192-S195 PolarHBondContact O-N 2.9Å; L193-S195 VanDerWaalsContact C-N 3.31Å; L193-S195 PolarHBondContact O-N 3.01Å; S195-I197 VanDerWaalsContact C-N 3.35Å; S195-I197 PolarHBondContact O-N 3.42Å; S195-C198 PolarHBondContact O-N 2.94Å; S195-E199 WeakPolarHBondContact O-CB 3.45Å; S195-E199 VanDerWaalsContact O-CG 3.32Å; S195-E199 WeakPolarHBondContact O-CG 3.33Å; S195-E199 PolarHBondContact O-N 3.13Å; S195-E199 PolarHBondContact OG-OE1 3.49Å
196	R	97.9	Very high	97.5	Very high	86 Å²	86	52 Å²	52	33%	0.325	26%	0.262	S	S	.	.	H	α-helix	trans	-65.1	-35.7	-178	-70.6	-53.3	-165.9	-158.6	-2.7	113.1	I57 T58 L59 V192 L193 E199 M200	I57-R196 HydrophobicContact CD1-CB 4.33Å; I57-R196 HydrophobicContact CG1-CB 4.48Å; I57-R196 HydrophobicContact CG2-CB 3.61Å; I57-R196 HydrophobicContact CG2-CG 4.09Å; T58-R196 PolarHBondContact O-NE 3.23Å; L59-R196 HydrophobicContact CD2-CG 4.33Å; V192-R196 HydrophobicContact CG1-CG 4.26Å; V192-R196 WeakPolarHBondContact O-CG 3Å; V192-R196 PolarHBondContact O-N 2.81Å; L193-R196 PolarHBondContact O-N 2.97Å; R196-E199 WeakPolarHBondContact CD-OE2 3.3Å; R196-E199 IonicContact CZ-OE2 2.65Å; R196-E199 IonicContact NE-OE2 3.73Å; R196-E199 IonicContact NH1-OE1 3.49Å; R196-E199 IonicContact NH1-OE2 3.66Å; R196-E199 PolarHBondContact NH1-OE2 3.32Å; R196-M200 WeakPolarHBondContact O-CB 3.48Å; R196-M200 PolarHBondContact O-N 3.36Å
197	I	97.7	Very high	97.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59	-52.2	172.7	-71.6	166.6	0	0	0	109.6	L54 I57 I110 I136 I138 L193 S195 M200 I201	L54-I197 HydrophobicContact CD2-CG1 4.48Å; L54-I197 HydrophobicContact CD2-CG2 4.32Å; I57-I197 HydrophobicContact CD1-CG1 4.17Å; I110-I197 HydrophobicContact CD1-CD1 4Å; I110-I197 HydrophobicContact CD1-CG1 4.45Å; I136-I197 HydrophobicContact CG2-CD1 4.41Å; I138-I197 HydrophobicContact CD1-CG2 3.61Å; I138-I197 HydrophobicContact CG1-CG2 4.12Å; L193-I197 HydrophobicContact CD1-CD1 4.18Å; L193-I197 HydrophobicContact CD1-CG1 4.28Å; L193-I197 HydrophobicContact CG-CD1 3.96Å; L193-I197 VanDerWaalsContact O-CG1 3.29Å; L193-I197 WeakPolarHBondContact O-CG1 3.31Å; L193-I197 PolarHBondContact O-N 2.9Å; S195-I197 VanDerWaalsContact C-N 3.35Å; S195-I197 PolarHBondContact O-N 3.42Å; I197-M200 PolarHBondContact O-N 3.38Å; I197-I201 HydrophobicContact CG2-CD1 3.81Å; I197-I201 WeakPolarHBondContact O-CG1 3.49Å; I197-I201 PolarHBondContact O-N 2.83Å
198	C	98.4	Very high	97.5	Very high	15 Å²	15	52.8 Å²	52.8	10%	0.101	27%	0.266	C	S	.	.	H	α-helix	trans	-66.8	-38.9	-179.3	-82.2	0	0	0	0	113.6	C159 K194 S195 M200 I201 Q202	C159-C198 HydrophobicContact CB-CB 3.71Å; C159-C198 WeakPolarHBondContact CB-SG 2.84Å; C159-C198 WeakPolarHBondContact SG-CA 3.36Å; C159-C198 WeakPolarHBondContact SG-CB 3.3Å; C159-C198 CovalentContact SG-SG 2.05Å; C159-C198 PolarHBondContact SG-SG 2.85Å; K194-C198 PolarHBondContact O-N 2.83Å; S195-C198 PolarHBondContact O-N 2.94Å; C198-M200 VanDerWaalsContact C-N 3.32Å; C198-M200 PolarHBondContact O-N 3.42Å; C198-I201 PolarHBondContact O-N 3.04Å; C198-Q202 WeakPolarHBondContact O-CB 3.4Å; C198-Q202 VanDerWaalsContact O-CG 3.32Å; C198-Q202 WeakPolarHBondContact O-CG 3.33Å; C198-Q202 PolarHBondContact O-N 3.46Å
199	E	97.9	Very high	97.5	Very high	75 Å²	75	50.1 Å²	50.1	35%	0.35	26%	0.256	S	S	.	.	H	α-helix	trans	-60	-42.6	173.1	-73.4	165.8	-148.8	0	0	111.5	S195 R196 Q202 K203	S195-E199 WeakPolarHBondContact O-CB 3.45Å; S195-E199 VanDerWaalsContact O-CG 3.32Å; S195-E199 WeakPolarHBondContact O-CG 3.33Å; S195-E199 PolarHBondContact O-N 3.13Å; S195-E199 PolarHBondContact OG-OE1 3.49Å; R196-E199 WeakPolarHBondContact CD-OE2 3.3Å; R196-E199 IonicContact CZ-OE2 2.65Å; R196-E199 IonicContact NE-OE2 3.73Å; R196-E199 IonicContact NH1-OE1 3.49Å; R196-E199 IonicContact NH1-OE2 3.66Å; R196-E199 PolarHBondContact NH1-OE2 3.32Å; E199-Q202 PolarHBondContact O-N 3.28Å; E199-K203 WeakPolarHBondContact O-CB 3.48Å; E199-K203 PolarHBondContact O-N 3.09Å
200	M	97.2	Very high	97.5	Very high	20 Å²	20	52.5 Å²	52.5	10%	0.099	27%	0.267	C	S	.	.	H	α-helix	trans	-66.4	-40.1	177.6	-174.6	57.8	76.9	0	0	112	E53 L54 R56 I57 R196 I197 C198 K203 S204	E53-M200 HydrophobicContact CB-CG 4.08Å; E53-M200 HydrophobicContact CB-SD 4.04Å; E53-M200 WeakPolarHBondContact O-CE 3.44Å; L54-M200 HydrophobicContact CD2-CB 4.06Å; L54-M200 HydrophobicContact CD2-CG 4.02Å; R56-M200 HydrophobicContact CB-CE 4.33Å; I57-M200 HydrophobicContact CD1-CB 4.07Å; I57-M200 HydrophobicContact CG1-CB 3.99Å; I57-M200 HydrophobicContact CG1-CE 3.89Å; I57-M200 HydrophobicContact CG1-CG 4.24Å; R196-M200 WeakPolarHBondContact O-CB 3.48Å; R196-M200 PolarHBondContact O-N 3.36Å; I197-M200 PolarHBondContact O-N 3.38Å; C198-M200 VanDerWaalsContact C-N 3.32Å; C198-M200 PolarHBondContact O-N 3.42Å; M200-K203 PolarHBondContact O-N 2.96Å; M200-K203 HydrophobicContact SD-CD 4.43Å; M200-S204 WeakPolarHBondContact O-CB 3.24Å; M200-S204 PolarHBondContact O-N 2.53Å; M200-S204 PolarHBondContact O-OG 3.28Å
201	I	97.7	Very high	97.5	Very high	6 Å²	6	53.2 Å²	53.2	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-63	-50.2	175	-72	165.4	0	0	0	110.8	L50 I138 V140 I197 C198 K203 S204 V205	L50-I201 HydrophobicContact CD1-CG1 3.75Å; L50-I201 HydrophobicContact CD2-CD1 4.45Å; L50-I201 HydrophobicContact CD2-CG1 4.11Å; I138-I201 HydrophobicContact CD1-CD1 4.32Å; I138-I201 HydrophobicContact CG2-CD1 3.47Å; I138-I201 VanDerWaalsContact CG2-CD1 3.47Å; V140-I201 HydrophobicContact CG1-CG2 3.97Å; V140-I201 HydrophobicContact CG2-CD1 4.13Å; V140-I201 HydrophobicContact CG2-CG2 3.81Å; I197-I201 HydrophobicContact CG2-CD1 3.81Å; I197-I201 WeakPolarHBondContact O-CG1 3.49Å; I197-I201 PolarHBondContact O-N 2.83Å; C198-I201 PolarHBondContact O-N 3.04Å; I201-K203 VanDerWaalsContact C-N 3.26Å; I201-K203 PolarHBondContact O-N 3.22Å; I201-S204 PolarHBondContact O-N 2.99Å; I201-S204 VanDerWaalsContact O-N 3.15Å; I201-V205 HydrophobicContact CG2-CG2 4.45Å; I201-V205 WeakPolarHBondContact O-CG2 3.35Å; I201-V205 PolarHBondContact O-N 2.87Å
202	Q	97.8	Very high	97.5	Very high	92 Å²	92	47.7 Å²	47.7	43%	0.43	25%	0.251	S	S	.	.	H	α-helix	trans	-57.2	-44.3	178.6	-75.5	176.7	-4.8	0	0	111	A156 C198 E199 V205 S206	A156-Q202 HydrophobicContact CB-CG 4.1Å; C198-Q202 WeakPolarHBondContact O-CB 3.4Å; C198-Q202 VanDerWaalsContact O-CG 3.32Å; C198-Q202 WeakPolarHBondContact O-CG 3.33Å; C198-Q202 PolarHBondContact O-N 3.46Å; E199-Q202 PolarHBondContact O-N 3.28Å; Q202-V205 PolarHBondContact O-N 3.36Å; Q202-S206 PolarHBondContact O-N 2.73Å; Q202-S206 VanDerWaalsContact O-N 3.12Å; Q202-S206 PolarHBondContact O-OG 3.04Å
203	K	97.3	Very high	97.5	Very high	116 Å²	116	47.7 Å²	47.7	50%	0.504	25%	0.249	S	C	.	.	H	α-helix	trans	-58.2	-55.4	173.5	-174.9	-174.6	174	-163.1	0	110.7	E199 M200 I201 V205 S206 S207	E199-K203 WeakPolarHBondContact O-CB 3.48Å; E199-K203 PolarHBondContact O-N 3.09Å; M200-K203 PolarHBondContact O-N 2.96Å; M200-K203 HydrophobicContact SD-CD 4.43Å; I201-K203 VanDerWaalsContact C-N 3.26Å; I201-K203 PolarHBondContact O-N 3.22Å; K203-V205 VanDerWaalsContact C-N 3.26Å; K203-V205 PolarHBondContact O-N 3.43Å; K203-S206 CarbonylContact O-C 3.57Å; K203-S206 WeakPolarHBondContact O-CA 3.23Å; K203-S206 PolarHBondContact O-N 2.83Å; K203-S206 PolarHBondContact O-OG 3Å; K203-S207 PolarHBondContact O-N 2.82Å; K203-S207 PolarHBondContact O-OG 3.33Å
204	S	97.2	Very high	97.4	Very high	15 Å²	15	50 Å²	50	11%	0.105	26%	0.26	C	S	.	.	H	α-helix	trans	-56.6	-38.3	-178.5	-55.9	0	0	0	0	112.6	M200 I201 D208 L209	M200-S204 WeakPolarHBondContact O-CB 3.24Å; M200-S204 PolarHBondContact O-N 2.53Å; M200-S204 PolarHBondContact O-OG 3.28Å; I201-S204 PolarHBondContact O-N 2.99Å; I201-S204 VanDerWaalsContact O-N 3.15Å; S204-D208 WeakPolarHBondContact CA-OD2 3.35Å; S204-D208 WeakPolarHBondContact O-CA 3.21Å; S204-D208 VanDerWaalsContact O-CB 3.31Å; S204-D208 WeakPolarHBondContact O-CB 3.41Å; S204-D208 PolarHBondContact O-N 3.12Å; S204-L209 PolarHBondContact O-N 3.41Å
205	V	97.9	Very high	97.4	Very high	12 Å²	12	49.4 Å²	49.4	7%	0.073	26%	0.261	C	S	.	.	I	π-helix	trans	-62.9	-46.1	174.7	170.8	0	0	0	0	110.8	L142 V154 A156 I201 Q202 K203 L209 Q210	L142-V205 HydrophobicContact CD2-CG1 4.29Å; L142-V205 HydrophobicContact CD2-CG2 3.81Å; V154-V205 HydrophobicContact CG1-CG1 4.32Å; V154-V205 HydrophobicContact CG2-CG1 4.17Å; A156-V205 HydrophobicContact CB-CB 4.32Å; A156-V205 HydrophobicContact CB-CG1 4.33Å; A156-V205 HydrophobicContact CB-CG2 4.22Å; I201-V205 HydrophobicContact CG2-CG2 4.45Å; I201-V205 WeakPolarHBondContact O-CG2 3.35Å; I201-V205 PolarHBondContact O-N 2.87Å; Q202-V205 PolarHBondContact O-N 3.36Å; K203-V205 VanDerWaalsContact C-N 3.26Å; K203-V205 PolarHBondContact O-N 3.43Å; V205-L209 HydrophobicContact CG2-CD2 4.4Å; V205-Q210 WeakPolarHBondContact O-CB 3.37Å; V205-Q210 PolarHBondContact O-N 2.66Å
206	S	97.4	Very high	97.3	Very high	68 Å²	68	47.6 Å²	47.6	48%	0.476	25%	0.246	S	C	.	.	I	π-helix	trans	-74.3	-37.3	-178.7	68.1	0	0	0	0	114.5	Q202 K203 P211	Q202-S206 PolarHBondContact O-N 2.73Å; Q202-S206 VanDerWaalsContact O-N 3.12Å; Q202-S206 PolarHBondContact O-OG 3.04Å; K203-S206 CarbonylContact O-C 3.57Å; K203-S206 WeakPolarHBondContact O-CA 3.23Å; K203-S206 PolarHBondContact O-N 2.83Å; K203-S206 PolarHBondContact O-OG 3Å; S206-P211 WeakPolarHBondContact O-CD 3.46Å
207	S	96.9	Very high	97.2	Very high	54 Å²	54	45 Å²	45	38%	0.378	24%	0.24	S	C	.	.	I	π-helix	trans	-93.9	-23.8	-172.9	54.3	0	0	0	0	114.2	K203 P211	K203-S207 PolarHBondContact O-N 2.82Å; K203-S207 PolarHBondContact O-OG 3.33Å; S207-P211 WeakPolarHBondContact O-CG 3.44Å
208	D	95.6	Very high	97.1	Very high	83 Å²	83	45.8 Å²	45.8	44%	0.444	25%	0.246	S	C	.	.	I	π-helix	trans	-123.6	-54.6	-171.8	-53.4	-78.3	0	0	0	111.4	S204 Y212	S204-D208 WeakPolarHBondContact CA-OD2 3.35Å; S204-D208 WeakPolarHBondContact O-CA 3.21Å; S204-D208 VanDerWaalsContact O-CB 3.31Å; S204-D208 WeakPolarHBondContact O-CB 3.41Å; S204-D208 PolarHBondContact O-N 3.12Å; D208-Y212 VanDerWaalsContact O-CB 3.23Å; D208-Y212 WeakPolarHBondContact O-CB 3.37Å; D208-Y212 PolarHBondContact O-N 2.83Å
209	L	96.9	Very high	97	Very high	57 Å²	57	48.3 Å²	48.3	30%	0.298	26%	0.261	S	S	.	.	I	π-helix	trans	-67.8	-47.7	-176.8	-174.4	62.3	0	0	0	112.3	L142 V154 S204 V205 Y212 L213	L142-L209 HydrophobicContact CD1-CD2 4.4Å; V154-L209 HydrophobicContact CG1-CB 4.47Å; V154-L209 HydrophobicContact CG1-CD2 4.15Å; V154-L209 HydrophobicContact CG1-CG 4Å; V154-L209 HydrophobicContact CG2-CD2 4.12Å; S204-L209 PolarHBondContact O-N 3.41Å; V205-L209 HydrophobicContact CG2-CD2 4.4Å; L209-Y212 WeakPolarHBondContact O-CB 3.25Å; L209-Y212 PolarHBondContact O-N 2.99Å; L209-L213 HydrophobicContact CD1-CG 4.36Å; L209-L213 HydrophobicContact CG-CD1 4.48Å; L209-L213 HydrophobicContact CG-CG 4.49Å; L209-L213 WeakPolarHBondContact O-CG 3.22Å; L209-L213 PolarHBondContact O-N 2.97Å
210	Q	97.5	Very high	96.8	Very high	51 Å²	51	46.4 Å²	46.4	24%	0.238	25%	0.254	C	S	.	.	H	α-helix	trans	-60	-51.5	179.1	171.8	173.1	-69.8	0	0	112.1	V154 V205 Y212 L213 Q214	V154-Q210 HydrophobicContact CG1-CB 3.78Å; V154-Q210 PolarHBondContact O-OE1 2.8Å; V205-Q210 WeakPolarHBondContact O-CB 3.37Å; V205-Q210 PolarHBondContact O-N 2.66Å; Q210-Y212 PolarHBondContact O-N 2.99Å; Q210-L213 PolarHBondContact O-N 2.8Å; Q210-Q214 HydrophobicContact CG-CG 4.5Å; Q210-Q214 WeakPolarHBondContact O-CG 3.44Å; Q210-Q214 PolarHBondContact O-N 2.91Å
211	P	97.7	Very high	96.7	Very high	58 Å²	58	51.3 Å²	51.3	38%	0.377	28%	0.277	S	S	.	.	H	α-helix	trans	-59.7	-34.8	175.1	-28.3	38.7	0	0	0	113.3	S206 S207 Q214 T215	S206-P211 WeakPolarHBondContact O-CD 3.46Å; S207-P211 WeakPolarHBondContact O-CG 3.44Å; P211-Q214 PolarHBondContact O-N 2.8Å; P211-T215 WeakPolarHBondContact O-CG2 3.44Å; P211-T215 PolarHBondContact O-N 2.99Å
212	Y	97.4	Very high	96.4	Very high	47 Å²	47	52.9 Å²	52.9	18%	0.184	29%	0.285	C	S	.	.	H	α-helix	trans	-64.2	-47.6	175.1	176.5	-111.1	0	0	0	112.2	D208 L209 Q210 Q214 T215 L453 K454 Y478	D208-Y212 VanDerWaalsContact O-CB 3.23Å; D208-Y212 WeakPolarHBondContact O-CB 3.37Å; D208-Y212 PolarHBondContact O-N 2.83Å; L209-Y212 WeakPolarHBondContact O-CB 3.25Å; L209-Y212 PolarHBondContact O-N 2.99Å; Q210-Y212 PolarHBondContact O-N 2.99Å; Y212-Q214 VanDerWaalsContact C-N 3.25Å; Y212-Q214 PolarHBondContact O-N 3.33Å; Y212-T215 VanDerWaalsContact O-CB 3.26Å; Y212-T215 WeakPolarHBondContact O-CB 3.45Å; Y212-T215 VanDerWaalsContact O-CG2 3.3Å; Y212-T215 WeakPolarHBondContact O-CG2 3.28Å; Y212-T215 PolarHBondContact O-N 2.98Å; Y212-T215 PolarHBondContact O-OG1 3.13Å; Y212-L453 HydrophobicContact CE1-CD1 3.86Å; Y212-L453 WeakPolarHBondContact O-CD2 3.17Å; Y212-K454 WeakPolarHBondContact CE2-O 3.45Å; Y212-K454 PolarHBondContact OH-O 3.18Å; Y212-Y478 AromaticContact CE2-CE2 3.95Å; Y212-Y478 HydrophobicContact CE2-CE2 3.95Å; Y212-Y478 AromaticContact CZ-CE2 3.89Å; Y212-Y478 WeakPolarHBondContact OH-CE2 3.33Å
213	L	96.8	Very high	96	Very high	37 Å²	37	49.6 Å²	49.6	19%	0.194	27%	0.27	C	S	.	.	H	α-helix	trans	-62.4	-34.7	175.3	-66.1	-174.5	0	0	0	111.9	P152 V154 L209 Q210 T215 L216 L453	P152-L213 HydrophobicContact CG-CB 4.2Å; P152-L213 WeakPolarHBondContact CG-O 3.37Å; V154-L213 HydrophobicContact CB-CD1 3.88Å; V154-L213 HydrophobicContact CG1-CD1 3.65Å; L209-L213 HydrophobicContact CD1-CG 4.36Å; L209-L213 HydrophobicContact CG-CD1 4.48Å; L209-L213 HydrophobicContact CG-CG 4.49Å; L209-L213 WeakPolarHBondContact O-CG 3.22Å; L209-L213 PolarHBondContact O-N 2.97Å; Q210-L213 PolarHBondContact O-N 2.8Å; L213-T215 PolarHBondContact O-N 3.3Å; L213-T215 VanDerWaalsContact O-N 3.17Å; L213-L216 VanDerWaalsContact O-CB 3.25Å; L213-L216 WeakPolarHBondContact O-CB 3.47Å; L213-L216 PolarHBondContact O-N 2.84Å; L213-L216 VanDerWaalsContact O-N 3.14Å; L213-L453 HydrophobicContact CD2-CD1 4.12Å; L213-L453 HydrophobicContact CD2-CD2 4.44Å; L213-L453 WeakPolarHBondContact O-CD2 3.06Å
214	Q	96.6	Very high	95.7	Very high	49 Å²	49	48.5 Å²	48.5	23%	0.229	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-4.4	174.9	-70.9	-178.7	-15.2	0	0	114	E147 R151 Q210 P211 Y212 L216	E147-Q214 PolarHBondContact OE1-NE2 3.34Å; E147-Q214 VanDerWaalsContact OE1-NE2 3.08Å; R151-Q214 PolarHBondContact NH1-O 2.89Å; Q210-Q214 HydrophobicContact CG-CG 4.5Å; Q210-Q214 WeakPolarHBondContact O-CG 3.44Å; Q210-Q214 PolarHBondContact O-N 2.91Å; P211-Q214 PolarHBondContact O-N 2.8Å; Y212-Q214 VanDerWaalsContact C-N 3.25Å; Y212-Q214 PolarHBondContact O-N 3.33Å; Q214-L216 PolarHBondContact O-N 2.82Å
215	T	97.3	Very high	95.5	Very high	38 Å²	38	48.4 Å²	48.4	23%	0.233	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-13.7	168.7	71	0	0	0	0	113.4	P211 Y212 L213 K454	P211-T215 WeakPolarHBondContact O-CG2 3.44Å; P211-T215 PolarHBondContact O-N 2.99Å; Y212-T215 VanDerWaalsContact O-CB 3.26Å; Y212-T215 WeakPolarHBondContact O-CB 3.45Å; Y212-T215 VanDerWaalsContact O-CG2 3.3Å; Y212-T215 WeakPolarHBondContact O-CG2 3.28Å; Y212-T215 PolarHBondContact O-N 2.98Å; Y212-T215 PolarHBondContact O-OG1 3.13Å; L213-T215 PolarHBondContact O-N 3.3Å; L213-T215 VanDerWaalsContact O-N 3.17Å; T215-K454 HydrophobicContact CG2-CB 4.22Å; T215-K454 HydrophobicContact CG2-CD 3.83Å; T215-K454 HydrophobicContact CG2-CG 4.17Å; T215-K454 PolarHBondContact OG1-N 2.97Å; T215-K454 VanDerWaalsContact OG1-N 3.09Å
216	L	96.6	Very high	95.3	Very high	20 Å²	20	47.8 Å²	47.8	11%	0.105	27%	0.271	C	S	.	.	S	Bend	trans	-57.4	128.3	170.7	-164	67.4	0	0	0	109.1	P152 L213 Q214 V218 F247 P451 L453	P152-L216 HydrophobicContact CG-CB 4.47Å; P152-L216 HydrophobicContact CG-CD2 4.21Å; L213-L216 VanDerWaalsContact O-CB 3.25Å; L213-L216 WeakPolarHBondContact O-CB 3.47Å; L213-L216 PolarHBondContact O-N 2.84Å; L213-L216 VanDerWaalsContact O-N 3.14Å; Q214-L216 PolarHBondContact O-N 2.82Å; L216-V218 PolarHBondContact O-N 2.78Å; L216-F247 HydrophobicContact CD1-CE1 4.4Å; L216-F247 HydrophobicContact CD1-CZ 4.38Å; L216-F247 HydrophobicContact CD2-CE1 3.55Å; L216-F247 HydrophobicContact CD2-CZ 3.79Å; L216-F247 HydrophobicContact CG-CE1 4.04Å; L216-F247 HydrophobicContact CG-CZ 4.42Å; L216-P451 HydrophobicContact CD1-CB 4.3Å; L216-P451 WeakPolarHBondContact CD1-O 3.4Å; L216-L453 HydrophobicContact CB-CD2 3.87Å; L216-L453 HydrophobicContact CD1-CD2 4.23Å; L216-L453 HydrophobicContact CD1-CG 4.3Å
217	P	95.7	Very high	95.1	Very high	31 Å²	31	44.6 Å²	44.6	20%	0.201	25%	0.249	C	C	.	.			trans	-70.2	130.8	-176.1	28	-33.4	0	0	0	110	T220 Y230 P451 L452	P217-T220 WeakPolarHBondContact CB-OG1 3.26Å; P217-Y230 HydrophobicContact CG-CD2 4.19Å; P217-Y230 WeakPolarHBondContact O-CB 3.46Å; P217-P451 HydrophobicContact CG-CB 4.23Å; P217-L452 WeakPolarHBondContact CD-O 2.75Å
218	V	96.3	Very high	95.1	Very high	18 Å²	18	42 Å²	42	11%	0.109	23%	0.231	C	C	.	.	S	Bend	trans	-83.3	-33.1	166.7	177.8	0	0	0	0	110.2	S149 R151 L216 Y230 S231	S149-V218 WeakPolarHBondContact O-CG1 3.23Å; R151-V218 HydrophobicContact CB-CG2 4.48Å; R151-V218 HydrophobicContact CG-CG2 3.36Å; L216-V218 PolarHBondContact O-N 2.78Å; V218-Y230 CarbonylContact O-C 3.6Å; V218-Y230 WeakPolarHBondContact O-CA 3.46Å; V218-Y230 PolarHBondContact O-N 2.82Å; V218-S231 WeakPolarHBondContact CG1-OG 3.3Å; V218-S231 PolarHBondContact O-N 2.83Å
219	T	95.1	Very high	95.1	Very high	68 Å²	68	38.6 Å²	38.6	42%	0.417	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	136.2	175.6	-60.8	0	0	0	0	108.3	V228 F252	T219-V228 VanDerWaalsContact CA-O 3.24Å; T219-V228 WeakPolarHBondContact CA-O 3.44Å; T219-F252 HydrophobicContact CG2-CE1 3.91Å; T219-F252 HydrophobicContact CG2-CZ 3.63Å
220	T	94.8	Very high	95.1	Very high	34 Å²	34	36 Å²	36	21%	0.209	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	135.8	175	-51.3	0	0	0	0	109.6	P217 G227 V228 P449	P217-T220 WeakPolarHBondContact CB-OG1 3.26Å; T220-G227 CarbonylContact O-C 3.54Å; T220-G227 VanDerWaalsContact O-CA 3.29Å; T220-G227 WeakPolarHBondContact O-CA 3.27Å; T220-V228 PolarHBondContact N-O 2.81Å; T220-V228 PolarHBondContact O-N 3.4Å; T220-P449 HydrophobicContact CG2-CB 4.22Å; T220-P449 HydrophobicContact CG2-CG 3.6Å
221	E	93.6	Very high	95.1	Very high	123 Å²	123	34.8 Å²	34.8	58%	0.575	20%	0.196	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	133.6	173.6	-57.5	-173.3	-177	0	0	109.6	R254	E221-R254 IonicContact OE1-CZ 3.02Å; E221-R254 IonicContact OE1-NH1 3.77Å; E221-R254 PolarHBondContact OE1-NH1 2.99Å; E221-R254 IonicContact OE1-NH2 3.9Å; E221-R254 PolarHBondContact OE1-NH2 3.39Å; E221-R254 IonicContact OE2-CZ 2.78Å; E221-R254 IonicContact OE2-NH1 3.89Å; E221-R254 PolarHBondContact OE2-NH1 2.95Å; E221-R254 IonicContact OE2-NH2 3.77Å; E221-R254 PolarHBondContact OE2-NH2 2.88Å
222	I	91.5	Very high	95	Very high	39 Å²	39	32.8 Å²	32.8	20%	0.2	18%	0.182	C	C	.	.			trans	-94.3	-50	171.5	-63.1	171.7	0	0	0	108.2	A226 V228 I251 F448	I222-A226 HydrophobicContact CB-CB 4.32Å; I222-A226 PolarHBondContact N-O 2.68Å; I222-V228 HydrophobicContact CD1-CB 4.18Å; I222-V228 HydrophobicContact CG1-CG1 4.46Å; I222-I251 HydrophobicContact CD1-CD1 3.68Å; I222-I251 HydrophobicContact CD1-CG1 3.8Å; I222-I251 HydrophobicContact CD1-CG2 4.05Å; I222-F448 HydrophobicContact CD1-CD2 4.28Å; I222-F448 HydrophobicContact CD1-CE2 4.49Å
223	D	90.7	Very high	94.9	Very high	23 Å²	23	32.9 Å²	32.9	12%	0.123	19%	0.188	C	C	.	.	S	Bend	trans	-153.5	-156.5	177	67.5	18.6	0	0	0	113.2	F225 A226 R254 Y293 K443	D223-F225 PolarHBondContact O-N 3.1Å; D223-F225 VanDerWaalsContact O-N 3.17Å; D223-F225 WeakPolarHBondContact OD1-CD1 3.32Å; D223-F225 PolarHBondContact OD1-N 2.96Å; D223-A226 PolarHBondContact N-O 2.82Å; D223-A226 WeakPolarHBondContact OD1-CB 3.48Å; D223-A226 PolarHBondContact OD1-N 2.9Å; D223-R254 PolarHBondContact O-NH1 3.27Å; D223-Y293 PolarHBondContact OD2-OH 2.92Å; D223-K443 VanDerWaalsContact OD2-CE 3.27Å; D223-K443 WeakPolarHBondContact OD2-CE 3.39Å; D223-K443 IonicContact OD2-NZ 2.72Å; D223-K443 PolarHBondContact OD2-NZ 3.39Å
224	S	90.6	Very high	94.7	Very high	94 Å²	94	34.7 Å²	34.7	66%	0.657	20%	0.195	S	C	*	.	S	Bend	trans	-59.8	-24.1	-175.2	54.5	0	0	0	0	113.9
225	F	92.1	Very high	94.6	Very high	12 Å²	12	34.2 Å²	34.2	5%	0.053	20%	0.2	C	C	.	.	S	Bend	trans	-137.3	-21.9	-175.7	72	-87	0	0	0	114	D223 H253 R254 V292 Y293 E296 Y298	D223-F225 PolarHBondContact O-N 3.1Å; D223-F225 VanDerWaalsContact O-N 3.17Å; D223-F225 WeakPolarHBondContact OD1-CD1 3.32Å; D223-F225 PolarHBondContact OD1-N 2.96Å; F225-H253 AromaticContact CD2-CD2 3.47Å; F225-H253 VanDerWaalsContact CD2-CD2 3.47Å; F225-H253 WeakPolarHBondContact CD2-CD2 3.13Å; F225-H253 AromaticContact CD2-NE2 3.86Å; F225-R254 WeakPolarHBondContact O-CB 3.44Å; F225-R254 VanDerWaalsContact O-CG 3.22Å; F225-R254 WeakPolarHBondContact O-CG 3.25Å; F225-R254 PolarHBondContact O-N 2.92Å; F225-V292 HydrophobicContact CD2-CG1 4.25Å; F225-V292 HydrophobicContact CE2-CG1 3.83Å; F225-Y293 HydrophobicContact CE1-CD1 4.33Å; F225-Y293 AromaticContact CE1-CE1 3.99Å; F225-Y293 HydrophobicContact CE1-CE1 3.99Å; F225-Y293 HydrophobicContact CE2-CD1 4.39Å; F225-Y293 HydrophobicContact CE2-CE1 4.49Å; F225-Y293 AromaticContact CZ-CD1 3.52Å; F225-Y293 HydrophobicContact CZ-CD1 3.52Å; F225-Y293 AromaticContact CZ-CE1 3.52Å; F225-Y293 HydrophobicContact CZ-CE1 3.52Å; F225-Y293 HydrophobicContact CZ-CG 4.16Å; F225-E296 HydrophobicContact CD2-CB 4.47Å; F225-E296 HydrophobicContact CD2-CG 3.68Å; F225-E296 HydrophobicContact CE2-CB 3.94Å; F225-E296 HydrophobicContact CE2-CG 3.53Å; F225-E296 HydrophobicContact CG-CG 4.48Å; F225-E296 HydrophobicContact CZ-CB 4.25Å; F225-E296 HydrophobicContact CZ-CG 4.3Å; F225-Y298 AromaticContact CD1-CE2 3.92Å; F225-Y298 HydrophobicContact CD1-CE2 3.92Å; F225-Y298 AromaticContact CE1-CD2 3.94Å; F225-Y298 HydrophobicContact CE1-CD2 3.94Å; F225-Y298 HydrophobicContact CE1-CE1 4.1Å; F225-Y298 AromaticContact CE1-CE2 3.12Å; F225-Y298 HydrophobicContact CE1-CE2 3.12Å; F225-Y298 AromaticContact CE1-CZ 3.22Å; F225-Y298 WeakPolarHBondContact CE1-OH 3.49Å; F225-Y298 HydrophobicContact CE2-CE2 4.32Å; F225-Y298 AromaticContact CZ-CD2 3.67Å; F225-Y298 HydrophobicContact CZ-CD2 3.67Å; F225-Y298 AromaticContact CZ-CE2 3.32Å; F225-Y298 HydrophobicContact CZ-CE2 3.32Å; F225-Y298 HydrophobicContact CZ-CG 4.44Å; F225-Y298 AromaticContact CZ-CZ 3.85Å
226	A	93.6	Very high	94.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	141.3	178.7	0	0	0	0	0	112.1	I222 D223 I251 V292 Y293	I222-A226 HydrophobicContact CB-CB 4.32Å; I222-A226 PolarHBondContact N-O 2.68Å; D223-A226 PolarHBondContact N-O 2.82Å; D223-A226 WeakPolarHBondContact OD1-CB 3.48Å; D223-A226 PolarHBondContact OD1-N 2.9Å; A226-I251 HydrophobicContact CB-CG2 4.38Å; A226-V292 HydrophobicContact CB-CG1 4.31Å; A226-Y293 HydrophobicContact CB-CE2 4.31Å
227	G	94.8	Very high	94.4	Very high	1 Å²	1	38 Å²	38	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	162.9	169.4	0	0	0	0	0	111.1	T220 I251 F252	T220-G227 CarbonylContact O-C 3.54Å; T220-G227 VanDerWaalsContact O-CA 3.29Å; T220-G227 WeakPolarHBondContact O-CA 3.27Å; G227-I251 CarbonylContact O-C 3.54Å; G227-I251 VanDerWaalsContact O-CA 3.32Å; G227-I251 WeakPolarHBondContact O-CA 3.46Å; G227-F252 PolarHBondContact N-O 2.87Å; G227-F252 WeakPolarHBondContact O-CD1 3.4Å; G227-F252 PolarHBondContact O-N 3.23Å
228	V	95.5	Very high	94.2	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	134.4	173.3	58.2	0	0	0	0	110.5	T219 T220 I222 Y230 E250 I251 F448	T219-V228 VanDerWaalsContact CA-O 3.24Å; T219-V228 WeakPolarHBondContact CA-O 3.44Å; T220-V228 PolarHBondContact N-O 2.81Å; T220-V228 PolarHBondContact O-N 3.4Å; I222-V228 HydrophobicContact CD1-CB 4.18Å; I222-V228 HydrophobicContact CG1-CG1 4.46Å; V228-Y230 HydrophobicContact CB-CE2 4.38Å; V228-Y230 HydrophobicContact CG1-CD2 3.93Å; V228-Y230 HydrophobicContact CG1-CE1 4.48Å; V228-Y230 HydrophobicContact CG1-CE2 3.39Å; V228-Y230 HydrophobicContact CG2-CD1 4.05Å; V228-Y230 HydrophobicContact CG2-CD2 4.42Å; V228-Y230 HydrophobicContact CG2-CE1 3.61Å; V228-Y230 HydrophobicContact CG2-CE2 4.07Å; V228-Y230 HydrophobicContact CG2-CG 4.42Å; V228-E250 CarbonylContact C-O 3.52Å; V228-E250 WeakPolarHBondContact CA-O 3.23Å; V228-I251 HydrophobicContact CB-CG1 4.2Å; V228-I251 HydrophobicContact CG2-CG1 4.3Å; V228-F448 HydrophobicContact CB-CE2 4.06Å; V228-F448 HydrophobicContact CG1-CE2 4.33Å; V228-F448 HydrophobicContact CG2-CE2 3.81Å; V228-F448 HydrophobicContact CG2-CZ 3.96Å
229	D	95.8	Very high	93.8	Very high	10 Å²	10	38 Å²	38	5%	0.053	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	112.8	174.2	-168.2	-12.2	0	0	0	110.3	S231 K248 G249 E250 F252	D229-S231 WeakPolarHBondContact OD1-CB 3.16Å; D229-S231 PolarHBondContact OD1-N 2.63Å; D229-S231 PolarHBondContact OD1-OG 3.03Å; D229-K248 HydrophobicContact CB-CD 4.36Å; D229-K248 IonicContact OD2-NZ 3.19Å; D229-G249 WeakPolarHBondContact O-CA 3.49Å; D229-G249 PolarHBondContact O-N 2.57Å; D229-E250 HydrophobicContact CB-CB 4.5Å; D229-E250 PolarHBondContact N-O 3.13Å; D229-E250 PolarHBondContact O-N 3.22Å; D229-F252 HydrophobicContact CB-CD1 4.04Å; D229-F252 HydrophobicContact CB-CE1 4.01Å
230	Y	97.2	Very high	93.4	Very high	3 Å²	3	38.6 Å²	38.6	1%	0.012	22%	0.223	C	C	.	.			trans	-110.2	25.4	175.1	-69.7	-45.9	0	0	0	111.6	L30 P217 V218 V228 L232 F247 F448 P449 P451	L30-Y230 HydrophobicContact CD1-CE1 3.91Å; P217-Y230 HydrophobicContact CG-CD2 4.19Å; P217-Y230 WeakPolarHBondContact O-CB 3.46Å; V218-Y230 CarbonylContact O-C 3.6Å; V218-Y230 WeakPolarHBondContact O-CA 3.46Å; V218-Y230 PolarHBondContact O-N 2.82Å; V228-Y230 HydrophobicContact CB-CE2 4.38Å; V228-Y230 HydrophobicContact CG1-CD2 3.93Å; V228-Y230 HydrophobicContact CG1-CE1 4.48Å; V228-Y230 HydrophobicContact CG1-CE2 3.39Å; V228-Y230 HydrophobicContact CG2-CD1 4.05Å; V228-Y230 HydrophobicContact CG2-CD2 4.42Å; V228-Y230 HydrophobicContact CG2-CE1 3.61Å; V228-Y230 HydrophobicContact CG2-CE2 4.07Å; V228-Y230 HydrophobicContact CG2-CG 4.42Å; Y230-L232 PolarHBondContact O-N 3.29Å; Y230-F247 HydrophobicContact CD1-CB 4.27Å; Y230-F247 HydrophobicContact CD1-CD1 4.48Å; Y230-F247 VanDerWaalsContact O-CD1 3.32Å; Y230-F247 WeakPolarHBondContact O-CD1 3.38Å; Y230-F448 HydrophobicContact CE1-CZ 4.12Å; Y230-F448 AromaticContact CZ-CZ 3.8Å; Y230-F448 WeakPolarHBondContact OH-CE1 3.46Å; Y230-F448 WeakPolarHBondContact OH-CZ 3.32Å; Y230-P449 PolarHBondContact OH-O 3.43Å; Y230-P451 HydrophobicContact CD1-CB 4.11Å; Y230-P451 HydrophobicContact CD1-CG 4.07Å; Y230-P451 HydrophobicContact CD2-CB 3.81Å; Y230-P451 HydrophobicContact CE1-CB 4.38Å; Y230-P451 HydrophobicContact CE1-CG 4.06Å; Y230-P451 HydrophobicContact CE2-CB 4.06Å; Y230-P451 HydrophobicContact CE2-CG 4.46Å; Y230-P451 HydrophobicContact CG-CB 3.83Å; Y230-P451 HydrophobicContact CG-CG 4.31Å
231	S	96.9	Very high	92.9	Very high	25 Å²	25	42 Å²	42	18%	0.175	24%	0.237	C	C	.	.			trans	-54.6	137.2	167.2	-58.4	0	0	0	0	109.9	V218 D229 V233 K248	V218-S231 WeakPolarHBondContact CG1-OG 3.3Å; V218-S231 PolarHBondContact O-N 2.83Å; D229-S231 WeakPolarHBondContact OD1-CB 3.16Å; D229-S231 PolarHBondContact OD1-N 2.63Å; D229-S231 PolarHBondContact OD1-OG 3.03Å; S231-V233 PolarHBondContact O-N 3.02Å; S231-K248 PolarHBondContact O-N 2.95Å
232	L	96.8	Very high	92.8	Very high	16 Å²	16	36.7 Å²	36.7	8%	0.084	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-63.4	131.4	170.9	-64.8	-174	0	0	0	110	G150 P152 Y230 P236 V245 M246 F247	G150-L232 WeakPolarHBondContact O-CG 3.05Å; G150-L232 PolarHBondContact O-N 3.36Å; P152-L232 HydrophobicContact CB-CD1 3.89Å; Y230-L232 PolarHBondContact O-N 3.29Å; L232-P236 HydrophobicContact CD1-CG 4.42Å; L232-V245 HydrophobicContact CD2-CG1 3.32Å; L232-M246 WeakPolarHBondContact CA-O 3.5Å; L232-F247 HydrophobicContact CD2-CD1 4Å; L232-F247 HydrophobicContact CD2-CE1 3.96Å; L232-F247 HydrophobicContact CD2-CZ 4.46Å
233	V	94.5	Very high	93	Very high	50 Å²	50	35.7 Å²	35.7	30%	0.303	21%	0.206	S	C	.	.	S	Bend	trans	-81.9	-23.5	174.4	-62.5	0	0	0	0	111.9	P28 S231 M246 K248	P28-V233 HydrophobicContact CB-CG2 4.12Å; S231-V233 PolarHBondContact O-N 3.02Å; V233-M246 HydrophobicContact CG2-CB 3.54Å; V233-M246 PolarHBondContact N-O 3.05Å; V233-M246 VanDerWaalsContact N-O 3.09Å; V233-K248 HydrophobicContact CG1-CB 3.99Å; V233-K248 HydrophobicContact CG1-CG 4.46Å
234	E	93.5	Very high	93.2	Very high	74 Å²	74	34.9 Å²	34.9	35%	0.346	20%	0.202	S	C	.	.	S	Bend	trans	-154.5	171.3	174	61.8	176.9	-158.8	0	0	110.9	M246	E234-M246 HydrophobicContact CG-CB 4.31Å; E234-M246 HydrophobicContact CG-SD 4.26Å; E234-M246 WeakPolarHBondContact OE1-CE 3.33Å
235	A	94.1	Very high	93.5	Very high	40 Å²	40	31.4 Å²	31.4	33%	0.331	18%	0.177	S	C	.	.	S	Bend	trans	-61.1	146.6	173.1	0	0	0	0	0	111.2	S146 R237	S146-A235 PolarHBondContact OG-N 3.14Å; A235-R237 PolarHBondContact O-N 3.46Å
236	P	95.3	Very high	93.7	Very high	16 Å²	16	31.7 Å²	31.7	10%	0.104	18%	0.179	C	C	.	.			trans	-52.5	126.6	176.4	-27.9	35.9	0	0	0	112.6	L144 G145 L232 L243 E244 V245	L144-P236 HydrophobicContact CB-CB 4.09Å; L144-P236 HydrophobicContact CB-CG 4.22Å; L144-P236 HydrophobicContact CD1-CB 3.95Å; G145-P236 WeakPolarHBondContact O-CD 3.44Å; L232-P236 HydrophobicContact CD1-CG 4.42Å; P236-L243 HydrophobicContact CB-CD1 4.01Å; P236-E244 CarbonylContact C-O 3.49Å; P236-E244 WeakPolarHBondContact CA-O 3.34Å; P236-V245 HydrophobicContact CB-CG2 4.27Å
237	R	93.4	Very high	93.8	Very high	120 Å²	120	31.9 Å²	31.9	45%	0.453	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	112.2	-173.3	-172.3	173.9	76	176.8	4.7	111	A235 E244 M246	A235-R237 PolarHBondContact O-N 3.46Å; R237-E244 HydrophobicContact CB-CB 4.47Å; R237-E244 IonicContact CZ-OE2 3.93Å; R237-E244 VanDerWaalsContact CZ-OE2 3.31Å; R237-E244 PolarHBondContact N-O 3.4Å; R237-E244 IonicContact NE-OE2 2.69Å; R237-E244 PolarHBondContact NE-OE2 2.86Å; R237-E244 IonicContact NH2-OE2 3.87Å; R237-E244 PolarHBondContact NH2-OE2 2.59Å; R237-E244 PolarHBondContact O-N 3.39Å; R237-M246 VanDerWaalsContact CZ-CE 3.42Å
238	A	93.3	Very high	93.9	Very high	10 Å²	10	35 Å²	35	8%	0.083	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	127	171.1	0	0	0	0	0	110.8	P95 V96 G100 L243	P95-A238 HydrophobicContact CB-CB 3.97Å; V96-A238 WeakPolarHBondContact O-CB 3.36Å; G100-A238 WeakPolarHBondContact O-CB 3.4Å; A238-L243 HydrophobicContact CB-CD1 4.36Å
239	T	87.8	Confident	93.9	Very high	40 Å²	40	35 Å²	35	25%	0.245	19%	0.192	C	C	.	.			trans	-105.9	-169.4	171.9	72.5	0	0	0	0	110	P95 Q241 M242	P95-T239 VanDerWaalsContact CB-O 3.26Å; P95-T239 WeakPolarHBondContact CB-O 3.38Å; P95-T239 WeakPolarHBondContact CG-O 3.31Å; T239-Q241 VanDerWaalsContact C-N 3.26Å; T239-Q241 PolarHBondContact O-N 3.43Å; T239-M242 PolarHBondContact N-O 2.91Å; T239-M242 WeakPolarHBondContact OG1-CB 3.45Å; T239-M242 PolarHBondContact OG1-N 2.84Å; T239-M242 VanDerWaalsContact OG1-N 3.17Å; T239-M242 PolarHBondContact OG1-O 3.24Å
240	A	85	Confident	93.8	Very high	80 Å²	80	35.7 Å²	35.7	66%	0.661	20%	0.195	S	C	*	.	S	Bend	trans	-64	-29	-179	0	0	0	0	0	113.7
241	Q	84.8	Confident	93.7	Very high	107 Å²	107	35.8 Å²	35.8	50%	0.5	20%	0.196	S	C	.	.	S	Bend	trans	-137.7	-4.7	-173.3	-66	-179.9	-5.7	0	0	113.8	D36 T239 H273	D36-Q241 PolarHBondContact N-O 3.45Å; T239-Q241 VanDerWaalsContact C-N 3.26Å; T239-Q241 PolarHBondContact O-N 3.43Å; Q241-H273 PolarHBondContact OE1-NE2 2.93Å
242	M	91.9	Very high	93.6	Very high	11 Å²	11	35.4 Å²	35.4	5%	0.054	19%	0.192	C	C	.	.			trans	-137.4	159.9	-172.6	-52.4	168.5	-167.4	0	0	111.3	R33 T34 T239 H273	R33-M242 WeakPolarHBondContact CD-SD 3.21Å; R33-M242 HydrophobicContact CG-CB 4.13Å; R33-M242 HydrophobicContact CG-CG 4.36Å; R33-M242 HydrophobicContact CG-SD 3.88Å; R33-M242 PolarHBondContact NE-SD 3.31Å; R33-M242 VanDerWaalsContact NE-SD 3.43Å; T34-M242 CarbonylContact O-C 3.57Å; T34-M242 VanDerWaalsContact O-CA 3.29Å; T34-M242 WeakPolarHBondContact O-CA 3.41Å; T34-M242 WeakPolarHBondContact O-CB 3.24Å; T239-M242 PolarHBondContact N-O 2.91Å; T239-M242 WeakPolarHBondContact OG1-CB 3.45Å; T239-M242 PolarHBondContact OG1-N 2.84Å; T239-M242 VanDerWaalsContact OG1-N 3.17Å; T239-M242 PolarHBondContact OG1-O 3.24Å; M242-H273 VanDerWaalsContact CE-CE1 3.47Å; M242-H273 WeakPolarHBondContact CE-CE1 3.49Å; M242-H273 WeakPolarHBondContact CE-NE2 3.31Å
243	L	95.4	Very high	93.5	Very high	17 Å²	17	35.2 Å²	35.2	9%	0.089	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	124.9	168.5	178	69.3	0	0	0	109	R33 T34 L39 L101 L144 P236 A238	R33-L243 CarbonylContact C-O 3.57Å; R33-L243 WeakPolarHBondContact CA-O 3.41Å; T34-L243 PolarHBondContact N-O 3.37Å; T34-L243 PolarHBondContact O-N 3.03Å; L39-L243 HydrophobicContact CD2-CB 4.39Å; L39-L243 HydrophobicContact CD2-CD2 4.44Å; L101-L243 HydrophobicContact CD1-CD2 4.29Å; L101-L243 HydrophobicContact CD2-CD1 4.38Å; L101-L243 HydrophobicContact CD2-CD2 4.42Å; L144-L243 HydrophobicContact CD1-CD1 3.54Å; L144-L243 HydrophobicContact CD1-CD2 3.89Å; L144-L243 HydrophobicContact CD1-CG 4.36Å; P236-L243 HydrophobicContact CB-CD1 4.01Å; A238-L243 HydrophobicContact CB-CD1 4.36Å
244	E	95.3	Very high	93.4	Very high	7 Å²	7	37.3 Å²	37.3	3%	0.033	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	132.3	179.1	-64.7	178.7	162	0	0	110.8	V31 A32 R33 P236 R237	V31-E244 HydrophobicContact CG1-CB 4.4Å; A32-E244 CarbonylContact O-C 3.53Å; A32-E244 WeakPolarHBondContact O-CA 3.43Å; R33-E244 HydrophobicContact CB-CG 4.29Å; R33-E244 HydrophobicContact CG-CG 4.23Å; R33-E244 IonicContact CZ-OE1 3.76Å; R33-E244 VanDerWaalsContact CZ-OE1 3.24Å; R33-E244 IonicContact NE-OE1 2.68Å; R33-E244 PolarHBondContact NE-OE1 3.34Å; R33-E244 IonicContact NH2-OE1 3.68Å; R33-E244 PolarHBondContact NH2-OE1 2.76Å; P236-E244 CarbonylContact C-O 3.49Å; P236-E244 WeakPolarHBondContact CA-O 3.34Å; R237-E244 HydrophobicContact CB-CB 4.47Å; R237-E244 IonicContact CZ-OE2 3.93Å; R237-E244 VanDerWaalsContact CZ-OE2 3.31Å; R237-E244 PolarHBondContact N-O 3.4Å; R237-E244 IonicContact NE-OE2 2.69Å; R237-E244 PolarHBondContact NE-OE2 2.86Å; R237-E244 IonicContact NH2-OE2 3.87Å; R237-E244 PolarHBondContact NH2-OE2 2.59Å; R237-E244 PolarHBondContact O-N 3.39Å
245	V	96.2	Very high	93.1	Very high	21 Å²	21	40.6 Å²	40.6	13%	0.127	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	118.2	176.4	-173	0	0	0	0	107	V31 A32 L232 P236 F247	V31-V245 WeakPolarHBondContact CA-O 3.48Å; A32-V245 PolarHBondContact N-O 3.32Å; A32-V245 PolarHBondContact O-N 3.24Å; L232-V245 HydrophobicContact CD2-CG1 3.32Å; P236-V245 HydrophobicContact CB-CG2 4.27Å; V245-F247 HydrophobicContact CB-CE2 3.82Å; V245-F247 HydrophobicContact CB-CZ 4.09Å; V245-F247 HydrophobicContact CG1-CD2 4.3Å; V245-F247 HydrophobicContact CG1-CE1 4.08Å; V245-F247 HydrophobicContact CG1-CE2 3.56Å; V245-F247 HydrophobicContact CG1-CZ 3.43Å; V245-F247 VanDerWaalsContact CG1-CZ 3.43Å; V245-F247 WeakPolarHBondContact O-CD2 3.43Å; V245-F247 WeakPolarHBondContact O-CE2 3.46Å
246	M	96.4	Very high	92.6	Very high	18 Å²	18	42 Å²	42	9%	0.089	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	121.3	-173.3	-60.1	-163.4	-162.3	0	0	110.1	P28 V31 L232 V233 E234 R237	P28-M246 HydrophobicContact CB-CB 3.94Å; P28-M246 HydrophobicContact CG-CB 4.18Å; P28-M246 HydrophobicContact CG-CG 4.29Å; P28-M246 HydrophobicContact CG-SD 3.95Å; V31-M246 HydrophobicContact CG1-CG 4.39Å; V31-M246 HydrophobicContact CG2-CG 4.3Å; L232-M246 WeakPolarHBondContact CA-O 3.5Å; V233-M246 HydrophobicContact CG2-CB 3.54Å; V233-M246 PolarHBondContact N-O 3.05Å; V233-M246 VanDerWaalsContact N-O 3.09Å; E234-M246 HydrophobicContact CG-CB 4.31Å; E234-M246 HydrophobicContact CG-SD 4.26Å; E234-M246 WeakPolarHBondContact OE1-CE 3.33Å; R237-M246 VanDerWaalsContact CZ-CE 3.42Å
247	F	97	Very high	91.9	Very high	3 Å²	3	49.1 Å²	49.1	1%	0.013	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	147.7	-175.9	-57.3	-95.2	0	0	0	110.2	P28 G29 L30 A32 L216 Y230 L232 V245 G249 P451	P28-F247 WeakPolarHBondContact CA-O 3.46Å; P28-F247 VanDerWaalsContact CB-O 3.29Å; P28-F247 WeakPolarHBondContact CB-O 3.28Å; G29-F247 PolarHBondContact N-O 2.78Å; G29-F247 VanDerWaalsContact N-O 3.17Å; L30-F247 HydrophobicContact CB-CB 4.21Å; L30-F247 HydrophobicContact CD2-CB 4.18Å; L30-F247 HydrophobicContact CD2-CD2 3.29Å; L30-F247 HydrophobicContact CD2-CE2 3.83Å; L30-F247 HydrophobicContact CD2-CG 3.94Å; L30-F247 PolarHBondContact N-O 2.56Å; L30-F247 WeakPolarHBondContact O-CB 3.33Å; L30-F247 PolarHBondContact O-N 2.89Å; A32-F247 HydrophobicContact CB-CE2 3.71Å; L216-F247 HydrophobicContact CD1-CE1 4.4Å; L216-F247 HydrophobicContact CD1-CZ 4.38Å; L216-F247 HydrophobicContact CD2-CE1 3.55Å; L216-F247 HydrophobicContact CD2-CZ 3.79Å; L216-F247 HydrophobicContact CG-CE1 4.04Å; L216-F247 HydrophobicContact CG-CZ 4.42Å; Y230-F247 HydrophobicContact CD1-CB 4.27Å; Y230-F247 HydrophobicContact CD1-CD1 4.48Å; Y230-F247 VanDerWaalsContact O-CD1 3.32Å; Y230-F247 WeakPolarHBondContact O-CD1 3.38Å; L232-F247 HydrophobicContact CD2-CD1 4Å; L232-F247 HydrophobicContact CD2-CE1 3.96Å; L232-F247 HydrophobicContact CD2-CZ 4.46Å; V245-F247 HydrophobicContact CB-CE2 3.82Å; V245-F247 HydrophobicContact CB-CZ 4.09Å; V245-F247 HydrophobicContact CG1-CD2 4.3Å; V245-F247 HydrophobicContact CG1-CE1 4.08Å; V245-F247 HydrophobicContact CG1-CE2 3.56Å; V245-F247 HydrophobicContact CG1-CZ 3.43Å; V245-F247 VanDerWaalsContact CG1-CZ 3.43Å; V245-F247 WeakPolarHBondContact O-CD2 3.43Å; V245-F247 WeakPolarHBondContact O-CE2 3.46Å; F247-G249 VanDerWaalsContact C-N 3.35Å; F247-G249 PolarHBondContact O-N 3.14Å; F247-P451 HydrophobicContact CD1-CB 4.23Å; F247-P451 HydrophobicContact CD1-CG 4.24Å; F247-P451 HydrophobicContact CD2-CG 4.35Å; F247-P451 HydrophobicContact CE1-CB 3.82Å; F247-P451 HydrophobicContact CE1-CG 4.03Å; F247-P451 HydrophobicContact CE2-CG 4.13Å; F247-P451 HydrophobicContact CG-CG 4.39Å; F247-P451 HydrophobicContact CZ-CB 4.1Å; F247-P451 HydrophobicContact CZ-CG 3.95Å
248	K	95.6	Very high	91	Very high	66 Å²	66	46.6 Å²	46.6	29%	0.287	24%	0.237	S	C	.	.			trans	-57.7	-47.8	176.2	-167.6	179.9	177	-156.7	0	111.6	G29 D229 S231 V233 E250	G29-K248 VanDerWaalsContact CA-O 3.23Å; G29-K248 WeakPolarHBondContact CA-O 3.36Å; G29-K248 PolarHBondContact N-O 3.04Å; D229-K248 HydrophobicContact CB-CD 4.36Å; D229-K248 IonicContact OD2-NZ 3.19Å; S231-K248 PolarHBondContact O-N 2.95Å; V233-K248 HydrophobicContact CG1-CB 3.99Å; V233-K248 HydrophobicContact CG1-CG 4.46Å; K248-E250 HydrophobicContact CD-CB 4.29Å; K248-E250 VanDerWaalsContact CE-CD 3.49Å; K248-E250 WeakPolarHBondContact CE-OE2 3.43Å; K248-E250 HydrophobicContact CG-CB 4.15Å; K248-E250 IonicContact NZ-OE1 3.42Å; K248-E250 PolarHBondContact NZ-OE1 3.49Å; K248-E250 IonicContact NZ-OE2 2.66Å; K248-E250 PolarHBondContact NZ-OE2 3.48Å
249	G	95.3	Very high	90	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.272	C	S	.	.			trans	62.7	47	175.3	0	0	0	0	0	112.5	D229 F247 Y284 V285	D229-G249 WeakPolarHBondContact O-CA 3.49Å; D229-G249 PolarHBondContact O-N 2.57Å; F247-G249 VanDerWaalsContact C-N 3.35Å; F247-G249 PolarHBondContact O-N 3.14Å; G249-Y284 WeakPolarHBondContact O-CE1 3.12Å; G249-V285 VanDerWaalsContact O-CG2 3.27Å; G249-V285 WeakPolarHBondContact O-CG2 3.28Å
250	E	95.4	Very high	89.6	Confident	25 Å²	25	51.7 Å²	51.7	12%	0.117	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	125	-177.3	-178.5	-176.3	96	0	0	109.6	V228 D229 K248 V260 Y284 T288	V228-E250 CarbonylContact C-O 3.52Å; V228-E250 WeakPolarHBondContact CA-O 3.23Å; D229-E250 HydrophobicContact CB-CB 4.5Å; D229-E250 PolarHBondContact N-O 3.13Å; D229-E250 PolarHBondContact O-N 3.22Å; K248-E250 HydrophobicContact CD-CB 4.29Å; K248-E250 VanDerWaalsContact CE-CD 3.49Å; K248-E250 WeakPolarHBondContact CE-OE2 3.43Å; K248-E250 HydrophobicContact CG-CB 4.15Å; K248-E250 IonicContact NZ-OE1 3.42Å; K248-E250 PolarHBondContact NZ-OE1 3.49Å; K248-E250 IonicContact NZ-OE2 2.66Å; K248-E250 PolarHBondContact NZ-OE2 3.48Å; E250-V260 HydrophobicContact CG-CG2 4.01Å; E250-Y284 HydrophobicContact CB-CE1 4.17Å; E250-Y284 WeakPolarHBondContact CG-OH 3.47Å; E250-Y284 PolarHBondContact OE2-OH 3.06Å; E250-T288 HydrophobicContact CG-CG2 4.2Å
251	I	94.7	Very high	89.4	Confident	6 Å²	6	54 Å²	54	3%	0.031	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	131.4	170.9	-65.1	175.2	0	0	0	108.7	I222 A226 G227 V228 V285 T288 A289 V292 F448	I222-I251 HydrophobicContact CD1-CD1 3.68Å; I222-I251 HydrophobicContact CD1-CG1 3.8Å; I222-I251 HydrophobicContact CD1-CG2 4.05Å; A226-I251 HydrophobicContact CB-CG2 4.38Å; G227-I251 CarbonylContact O-C 3.54Å; G227-I251 VanDerWaalsContact O-CA 3.32Å; G227-I251 WeakPolarHBondContact O-CA 3.46Å; V228-I251 HydrophobicContact CB-CG1 4.2Å; V228-I251 HydrophobicContact CG2-CG1 4.3Å; I251-V285 HydrophobicContact CD1-CG1 4.42Å; I251-V285 WeakPolarHBondContact CD1-O 3.41Å; I251-T288 PolarHBondContact N-OG1 2.81Å; I251-T288 VanDerWaalsContact N-OG1 3.12Å; I251-A289 HydrophobicContact CB-CB 4.36Å; I251-A289 HydrophobicContact CD1-CB 3.37Å; I251-A289 HydrophobicContact CG1-CB 4.42Å; I251-A289 HydrophobicContact CG2-CB 4.32Å; I251-V292 HydrophobicContact CG2-CB 4.44Å; I251-V292 HydrophobicContact CG2-CG2 4.37Å; I251-F448 HydrophobicContact CD1-CD2 4.05Å; I251-F448 HydrophobicContact CD1-CE2 3.85Å; I251-F448 HydrophobicContact CG1-CE2 4.18Å
252	F	93.9	Very high	89.5	Confident	17 Å²	17	51.2 Å²	51.2	8%	0.075	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	156.6	-175.4	70.1	-85	0	0	0	111.4	T219 G227 D229 R254 R257	T219-F252 HydrophobicContact CG2-CE1 3.91Å; T219-F252 HydrophobicContact CG2-CZ 3.63Å; G227-F252 PolarHBondContact N-O 2.87Å; G227-F252 WeakPolarHBondContact O-CD1 3.4Å; G227-F252 PolarHBondContact O-N 3.23Å; D229-F252 HydrophobicContact CB-CD1 4.04Å; D229-F252 HydrophobicContact CB-CE1 4.01Å; F252-R254 HydrophobicContact CE2-CG 4.5Å; F252-R257 HydrophobicContact CD2-CG 4.01Å; F252-R257 VanDerWaalsContact CZ-NH2 3.33Å
253	H	94.3	Very high	89.4	Confident	11 Å²	11	58.1 Å²	58.1	5%	0.051	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	130.6	171.4	-172.5	-82	0	0	0	111	F225 N255 H256 V292 E296	F225-H253 AromaticContact CD2-CD2 3.47Å; F225-H253 VanDerWaalsContact CD2-CD2 3.47Å; F225-H253 WeakPolarHBondContact CD2-CD2 3.13Å; F225-H253 AromaticContact CD2-NE2 3.86Å; H253-N255 VanDerWaalsContact C-N 3.35Å; H253-N255 PolarHBondContact ND1-N 3.16Å; H253-N255 VanDerWaalsContact ND1-N 3.13Å; H253-N255 PolarHBondContact O-N 2.78Å; H253-H256 WeakPolarHBondContact CB-CE1 3.35Å; H253-H256 WeakPolarHBondContact CB-O 3.47Å; H253-H256 AromaticContact CD2-CE1 3.99Å; H253-H256 AromaticContact CD2-NE2 3.42Å; H253-H256 PolarHBondContact CD2-NE2 3.41Å; H253-H256 AromaticContact CE1-CD2 3.4Å; H253-H256 PolarHBondContact CE1-CD2 3.19Å; H253-H256 AromaticContact CE1-NE2 3.58Å; H253-H256 AromaticContact CG-CD2 3.5Å; H253-H256 AromaticContact CG-CE1 3.47Å; H253-H256 VanDerWaalsContact CG-CE1 3.47Å; H253-H256 AromaticContact CG-CG 3.93Å; H253-H256 AromaticContact CG-ND1 3.94Å; H253-H256 AromaticContact CG-NE2 3.17Å; H253-H256 AromaticContact ND1-CD2 3.04Å; H253-H256 PolarHBondContact ND1-CD2 2.68Å; H253-H256 AromaticContact ND1-CE1 3.84Å; H253-H256 AromaticContact ND1-CG 3.53Å; H253-H256 PolarHBondContact ND1-N 3.02Å; H253-H256 AromaticContact ND1-NE2 3.25Å; H253-H256 PolarHBondContact ND1-NE2 3.16Å; H253-H256 AromaticContact NE2-NE2 3.74Å; H253-H256 CarbonylContact O-C 3.59Å; H253-H256 PolarHBondContact O-N 3.25Å; H253-V292 HydrophobicContact CB-CG1 4.27Å; H253-E296 IonicContact CD2-OE1 2.67Å; H253-E296 PolarHBondContact CD2-OE1 3.1Å; H253-E296 IonicContact CE1-OE1 3.24Å; H253-E296 IonicContact CG-OE1 3.24Å; H253-E296 VanDerWaalsContact NE2-CD 3.3Å; H253-E296 IonicContact NE2-OE1 3.16Å; H253-E296 PolarHBondContact NE2-OE1 3.4Å; H253-E296 VanDerWaalsContact NE2-OE1 3.1Å; H253-E296 IonicContact NE2-OE2 3.67Å
254	R	92.6	Very high	89.2	Confident	95 Å²	95	58 Å²	58	36%	0.358	30%	0.302	S	S	.	.	S	Bend	trans	-68	-30.8	-170.3	-71	172	61.8	169.2	10.2	114.1	E221 D223 F225 F252	E221-R254 IonicContact OE1-CZ 3.02Å; E221-R254 IonicContact OE1-NH1 3.77Å; E221-R254 PolarHBondContact OE1-NH1 2.99Å; E221-R254 IonicContact OE1-NH2 3.9Å; E221-R254 PolarHBondContact OE1-NH2 3.39Å; E221-R254 IonicContact OE2-CZ 2.78Å; E221-R254 IonicContact OE2-NH1 3.89Å; E221-R254 PolarHBondContact OE2-NH1 2.95Å; E221-R254 IonicContact OE2-NH2 3.77Å; E221-R254 PolarHBondContact OE2-NH2 2.88Å; D223-R254 PolarHBondContact O-NH1 3.27Å; F225-R254 WeakPolarHBondContact O-CB 3.44Å; F225-R254 VanDerWaalsContact O-CG 3.22Å; F225-R254 WeakPolarHBondContact O-CG 3.25Å; F225-R254 PolarHBondContact O-N 2.92Å; F252-R254 HydrophobicContact CE2-CG 4.5Å
255	N	88.2	Confident	89.1	Confident	142 Å²	142	58.8 Å²	58.8	76%	0.759	31%	0.307	S	S	*	.	S	Bend	trans	-94.9	-15.4	-178	-53.7	-37.4	0	0	0	113.6	H253	H253-N255 VanDerWaalsContact C-N 3.35Å; H253-N255 PolarHBondContact ND1-N 3.16Å; H253-N255 VanDerWaalsContact ND1-N 3.13Å; H253-N255 PolarHBondContact O-N 2.78Å
256	H	82.9	Confident	88.8	Confident	70 Å²	70	62.3 Å²	62.3	32%	0.324	33%	0.329	S	S	.	.			trans	-144.5	121.3	-179.4	64.1	75.8	0	0	0	109	H253 E296	H253-H256 WeakPolarHBondContact CB-CE1 3.35Å; H253-H256 WeakPolarHBondContact CB-O 3.47Å; H253-H256 AromaticContact CD2-CE1 3.99Å; H253-H256 AromaticContact CD2-NE2 3.42Å; H253-H256 PolarHBondContact CD2-NE2 3.41Å; H253-H256 AromaticContact CE1-CD2 3.4Å; H253-H256 PolarHBondContact CE1-CD2 3.19Å; H253-H256 AromaticContact CE1-NE2 3.58Å; H253-H256 AromaticContact CG-CD2 3.5Å; H253-H256 AromaticContact CG-CE1 3.47Å; H253-H256 VanDerWaalsContact CG-CE1 3.47Å; H253-H256 AromaticContact CG-CG 3.93Å; H253-H256 AromaticContact CG-ND1 3.94Å; H253-H256 AromaticContact CG-NE2 3.17Å; H253-H256 AromaticContact ND1-CD2 3.04Å; H253-H256 PolarHBondContact ND1-CD2 2.68Å; H253-H256 AromaticContact ND1-CE1 3.84Å; H253-H256 AromaticContact ND1-CG 3.53Å; H253-H256 PolarHBondContact ND1-N 3.02Å; H253-H256 AromaticContact ND1-NE2 3.25Å; H253-H256 PolarHBondContact ND1-NE2 3.16Å; H253-H256 AromaticContact NE2-NE2 3.74Å; H253-H256 CarbonylContact O-C 3.59Å; H253-H256 PolarHBondContact O-N 3.25Å; H256-E296 IonicContact CD2-OE1 2.77Å; H256-E296 IonicContact CE1-OE1 3.36Å; H256-E296 IonicContact NE2-OE1 3.04Å; H256-E296 PolarHBondContact NE2-OE1 2.89Å
257	R	80.8	Confident	88.6	Confident	165 Å²	165	62.6 Å²	62.6	62%	0.623	33%	0.33	S	S	*	.			trans	-102.2	96.9	177.2	-74.7	-169.7	174.6	-170.5	-4.3	108.8	F252	F252-R257 HydrophobicContact CD2-CG 4.01Å; F252-R257 VanDerWaalsContact CZ-NH2 3.33Å
258	S	73.6	Confident	88.2	Confident	67 Å²	67	68.7 Å²	68.7	47%	0.469	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-88.7	137.9	170.5	-63.5	0	0	0	0	109.6	V260	S258-V260 PolarHBondContact O-N 3.35Å
259	P	72.5	Confident	87.9	Confident	125 Å²	125	66.7 Å²	66.7	81%	0.812	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-64.4	126.7	174.2	25.6	-31.6	0	0	0	109.9
260	V	80.1	Confident	87.6	Confident	33 Å²	33	68.1 Å²	68.1	20%	0.2	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-76.8	131.4	178.2	-172.2	0	0	0	0	109.2	E250 S258 L262 Y284 T288 L291	E250-V260 HydrophobicContact CG-CG2 4.01Å; S258-V260 PolarHBondContact O-N 3.35Å; V260-L262 HydrophobicContact CG1-CB 3.76Å; V260-L262 HydrophobicContact CG1-CD1 4.16Å; V260-L262 HydrophobicContact CG1-CG 4.08Å; V260-Y284 HydrophobicContact CG1-CE2 4.44Å; V260-T288 HydrophobicContact CB-CG2 4.49Å; V260-T288 HydrophobicContact CG1-CG2 3.71Å; V260-T288 HydrophobicContact CG2-CG2 4.25Å; V260-L291 HydrophobicContact CG1-CD2 4.16Å
261	T	81.3	Confident	87.3	Confident	129 Å²	129	74.9 Å²	74.9	79%	0.791	40%	0.396	S	S	*	.			trans	-82	-15.5	177.1	53.5	0	0	0	0	113.9
262	L	86.3	Confident	87	Confident	47 Å²	47	76.9 Å²	76.9	25%	0.246	41%	0.406	C	S	.	.			trans	-67.1	143.7	174.6	-62.4	169.8	0	0	0	110.2	V260 Y284 N287 T288	V260-L262 HydrophobicContact CG1-CB 3.76Å; V260-L262 HydrophobicContact CG1-CD1 4.16Å; V260-L262 HydrophobicContact CG1-CG 4.08Å; L262-Y284 HydrophobicContact CB-CD2 3.9Å; L262-Y284 HydrophobicContact CB-CE2 3.96Å; L262-Y284 WeakPolarHBondContact O-CE2 3.38Å; L262-N287 HydrophobicContact CD1-CB 3.77Å; L262-T288 HydrophobicContact CD1-CG2 4.38Å
263	L	89.3	Confident	86.9	Confident	157 Å²	157	79.1 Å²	79.1	82%	0.822	42%	0.416	S	S	*	.			trans	-109.8	135	175.6	-62	177.2	0	0	0	109.2
264	A	91.9	Very high	86.9	Confident	13 Å²	13	83.2 Å²	83.2	11%	0.107	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-67.9	136.8	173.4	0	0	0	0	0	110.6	N27 Y284	N27-A264 HydrophobicContact CB-CB 3.89Å; N27-A264 WeakPolarHBondContact CB-O 3.37Å; N27-A264 PolarHBondContact ND2-O 3.45Å; N27-A264 VanDerWaalsContact O-CB 3.23Å; N27-A264 WeakPolarHBondContact O-CB 3.15Å; A264-Y284 HydrophobicContact CB-CD1 3.95Å; A264-Y284 HydrophobicContact CB-CD2 4.16Å; A264-Y284 HydrophobicContact CB-CE1 4.43Å; A264-Y284 HydrophobicContact CB-CG 3.8Å
265	P	92.1	Very high	87.1	Confident	24 Å²	24	80 Å²	80	16%	0.156	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-69.8	161	177.8	31.6	-36.8	0	0	0	111	I267 D283 D468	P265-I267 PolarHBondContact O-N 3.43Å; P265-D283 WeakPolarHBondContact CG-OD1 3.48Å; P265-D468 HydrophobicContact CB-CB 3.98Å; P265-D468 HydrophobicContact CG-CB 4.03Å
266	V	91.4	Very high	87.5	Confident	95 Å²	95	74 Å²	74	58%	0.576	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-74.5	119.8	168.1	178.9	0	0	0	0	108.4
267	I	90.7	Very high	88.2	Confident	24 Å²	24	71.2 Å²	71.2	12%	0.123	38%	0.383	C	S	.	.			trans	-91.6	110.7	-179.8	-57	174.3	0	0	0	109.5	V31 P265 L269 A280 F469	V31-I267 HydrophobicContact CG2-CD1 4.16Å; P265-I267 PolarHBondContact O-N 3.43Å; I267-L269 HydrophobicContact CG2-CD2 3.71Å; I267-L269 HydrophobicContact CG2-CG 3.94Å; I267-A280 HydrophobicContact CD1-CB 4.35Å; I267-A280 HydrophobicContact CG2-CB 3.66Å; I267-F469 HydrophobicContact CG2-CD1 4.11Å; I267-F469 HydrophobicContact CG2-CD2 4.22Å; I267-F469 HydrophobicContact CG2-CE1 4.24Å; I267-F469 HydrophobicContact CG2-CE2 4.32Å; I267-F469 HydrophobicContact CG2-CG 4.12Å; I267-F469 HydrophobicContact CG2-CZ 4.34Å
268	N	88.9	Confident	88.9	Confident	131 Å²	131	63.4 Å²	63.4	70%	0.701	35%	0.353	S	S	*	.			trans	-95.5	94.1	171.4	-67.9	-40.3	0	0	0	109.7
269	L	89.1	Confident	90	Very high	25 Å²	25	60.5 Å²	60.5	13%	0.131	33%	0.332	C	S	.	.			trans	-71.7	131.9	-175.4	-69	174.1	0	0	0	112.5	V31 R33 I267 A280 F471	V31-L269 HydrophobicContact CB-CD1 4.3Å; V31-L269 HydrophobicContact CG1-CD1 3.78Å; R33-L269 HydrophobicContact CB-CD1 4.39Å; R33-L269 VanDerWaalsContact CZ-CD1 3.46Å; R33-L269 VanDerWaalsContact NH1-CB 3.27Å; I267-L269 HydrophobicContact CG2-CD2 3.71Å; I267-L269 HydrophobicContact CG2-CG 3.94Å; L269-A280 HydrophobicContact CD2-CB 3.25Å; L269-F471 HydrophobicContact CD2-CD2 4.16Å; L269-F471 HydrophobicContact CD2-CE2 3.96Å
270	P	89.9	Confident	91.2	Very high	30 Å²	30	54.5 Å²	54.5	20%	0.195	29%	0.293	C	S	.	.			trans	-58.5	144.4	172.5	-22.6	33	0	0	0	112.9	R33 E272 F471	R33-P270 PolarHBondContact NH1-O 3.46Å; P270-E272 HydrophobicContact CB-CG 4.31Å; P270-E272 PolarHBondContact O-N 3.46Å; P270-F471 HydrophobicContact CB-CE1 4.36Å; P270-F471 HydrophobicContact CB-CZ 4.43Å; P270-F471 HydrophobicContact CG-CD1 4.32Å; P270-F471 HydrophobicContact CG-CE1 4.2Å; P270-F471 HydrophobicContact CG-CZ 4.34Å
271	E	88.2	Confident	92	Very high	166 Å²	166	53 Å²	53	78%	0.776	28%	0.284	S	S	*	.			trans	-79.1	66.6	175.6	-69.8	-165	164.5	0	0	112.2	H273	E271-H273 PolarHBondContact O-ND1 3.35Å
272	E	89.8	Confident	92.7	Very high	49 Å²	49	46.8 Å²	46.8	23%	0.229	25%	0.246	C	C	.	.			trans	-96.6	141.9	173.8	-66.9	-166.5	-156.8	0	0	112.7	P270 Y278 Q464 F471	P270-E272 HydrophobicContact CB-CG 4.31Å; P270-E272 PolarHBondContact O-N 3.46Å; E272-Y278 HydrophobicContact CB-CE1 3.71Å; E272-Y278 HydrophobicContact CB-CE2 4.16Å; E272-Y278 VanDerWaalsContact CB-CZ 3.48Å; E272-Y278 WeakPolarHBondContact CB-OH 3.37Å; E272-Y278 WeakPolarHBondContact O-CE2 3.48Å; E272-Y278 WeakPolarHBondContact OE2-CE1 3.34Å; E272-Q464 PolarHBondContact OE1-NE2 3.45Å; E272-F471 HydrophobicContact CB-CE1 4.45Å; E272-F471 HydrophobicContact CG-CE1 4.26Å
273	H	90.4	Very high	93.1	Very high	63 Å²	63	45.8 Å²	45.8	29%	0.292	24%	0.241	S	C	.	.			trans	-132.8	-0.5	-173	-59.3	83	0	0	0	113.6	Q241 M242 E271 K275 Y278	Q241-H273 PolarHBondContact OE1-NE2 2.93Å; M242-H273 VanDerWaalsContact CE-CE1 3.47Å; M242-H273 WeakPolarHBondContact CE-CE1 3.49Å; M242-H273 WeakPolarHBondContact CE-NE2 3.31Å; E271-H273 PolarHBondContact O-ND1 3.35Å; H273-K275 PolarHBondContact O-N 3.38Å; H273-Y278 PolarHBondContact N-OH 2.83Å
274	N	94.1	Very high	93.4	Very high	98 Å²	98	39.2 Å²	39.2	52%	0.524	21%	0.205	S	C	.	.	S	Bend	trans	-79	-18	-172.3	63.9	-13.3	0	0	0	113.8	K37 Y278	K37-N274 PolarHBondContact NZ-O 3.05Å; N274-Y278 PolarHBondContact N-OH 3.31Å; N274-Y278 VanDerWaalsContact N-OH 3.14Å; N274-Y278 PolarHBondContact OD1-OH 3.04Å
275	K	96.6	Very high	93.6	Very high	26 Å²	26	38.6 Å²	38.6	11%	0.113	20%	0.2	C	C	.	.	S	Bend	trans	-111.9	163.5	177.7	-56.2	-66.2	174.6	160.1	0	111	T35 H273 Y278 D460 A474	T35-K275 WeakPolarHBondContact CG2-O 3.45Å; T35-K275 PolarHBondContact OG1-O 2.95Å; H273-K275 PolarHBondContact O-N 3.38Å; K275-Y278 HydrophobicContact CB-CE1 4.17Å; K275-Y278 HydrophobicContact CB-CE2 4.06Å; K275-Y278 HydrophobicContact CG-CE1 4.26Å; K275-Y278 PolarHBondContact N-OH 3.48Å; K275-D460 PolarHBondContact NZ-O 3.4Å; K275-D460 IonicContact NZ-OD1 2.97Å; K275-D460 PolarHBondContact NZ-OD1 2.92Å; K275-D460 IonicContact NZ-OD2 2.67Å; K275-D460 PolarHBondContact NZ-OD2 2.95Å; K275-A474 WeakPolarHBondContact CB-O 3.45Å
276	M	97.6	Very high	93.7	Very high	18 Å²	18	39 Å²	39	9%	0.089	20%	0.2	C	C	.	.	S	Bend	trans	-75.8	-37.2	-178.8	-69.2	177.8	173.9	0	0	112.9	T35 K37 Y41 A474 N475 V476	T35-M276 PolarHBondContact N-O 3.32Å; T35-M276 WeakPolarHBondContact OG1-CA 3.32Å; T35-M276 PolarHBondContact OG1-O 2.8Å; K37-M276 HydrophobicContact CD-CG 4.27Å; K37-M276 HydrophobicContact CG-CE 4.49Å; K37-M276 HydrophobicContact CG-CG 3.96Å; Y41-M276 HydrophobicContact CD1-SD 4.14Å; Y41-M276 HydrophobicContact CD2-CE 3.96Å; Y41-M276 HydrophobicContact CG-CE 3.81Å; Y41-M276 HydrophobicContact CG-SD 3.93Å; M276-A474 PolarHBondContact N-O 3.02Å; M276-A474 VanDerWaalsContact N-O 3.13Å; M276-N475 HydrophobicContact CG-CB 4.42Å; M276-N475 PolarHBondContact N-OD1 3.41Å; M276-N475 HydrophobicContact SD-CB 4.21Å; M276-V476 HydrophobicContact CB-CG2 4.31Å; M276-V476 HydrophobicContact SD-CB 4.07Å; M276-V476 PolarHBondContact SD-N 2.96Å
277	V	97.1	Very high	93.9	Very high	10 Å²	10	35 Å²	35	6%	0.061	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	145.7	-178.8	67.2	0	0	0	0	110.5	R33 F279 L458 G473 A474 V476	R33-V277 CarbonylContact O-C 3.59Å; R33-V277 VanDerWaalsContact O-CA 3.28Å; R33-V277 WeakPolarHBondContact O-CA 3.29Å; V277-F279 HydrophobicContact CB-CE2 4.47Å; V277-F279 HydrophobicContact CG1-CE2 3.75Å; V277-F279 HydrophobicContact CG1-CZ 4.36Å; V277-F279 HydrophobicContact CG2-CD2 4.44Å; V277-F279 HydrophobicContact CG2-CE2 3.86Å; V277-F279 HydrophobicContact CG2-CZ 3.94Å; V277-L458 HydrophobicContact CG1-CD2 4.02Å; V277-G473 WeakPolarHBondContact O-CA 3.36Å; V277-A474 HydrophobicContact CG1-CB 4.13Å; V277-A474 PolarHBondContact N-O 3.43Å; V277-A474 PolarHBondContact O-N 3.05Å; V277-V476 HydrophobicContact CB-CG2 4.24Å; V277-V476 HydrophobicContact CG1-CG2 3.64Å
278	Y	96.9	Very high	94.1	Very high	1 Å²	1	33.9 Å²	33.9	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	140.1	169.3	-61.8	-93.4	0	0	0	110.2	A32 R33 T35 E272 H273 N274 K275 F471 L472	A32-Y278 CarbonylContact C-O 3.5Å; A32-Y278 WeakPolarHBondContact CA-O 3.41Å; R33-Y278 PolarHBondContact N-O 2.8Å; R33-Y278 PolarHBondContact O-N 2.76Å; T35-Y278 HydrophobicContact CG2-CD2 3.94Å; T35-Y278 HydrophobicContact CG2-CE2 3.59Å; E272-Y278 HydrophobicContact CB-CE1 3.71Å; E272-Y278 HydrophobicContact CB-CE2 4.16Å; E272-Y278 VanDerWaalsContact CB-CZ 3.48Å; E272-Y278 WeakPolarHBondContact CB-OH 3.37Å; E272-Y278 WeakPolarHBondContact O-CE2 3.48Å; E272-Y278 WeakPolarHBondContact OE2-CE1 3.34Å; H273-Y278 PolarHBondContact N-OH 2.83Å; N274-Y278 PolarHBondContact N-OH 3.31Å; N274-Y278 VanDerWaalsContact N-OH 3.14Å; N274-Y278 PolarHBondContact OD1-OH 3.04Å; K275-Y278 HydrophobicContact CB-CE1 4.17Å; K275-Y278 HydrophobicContact CB-CE2 4.06Å; K275-Y278 HydrophobicContact CG-CE1 4.26Å; K275-Y278 PolarHBondContact N-OH 3.48Å; Y278-F471 HydrophobicContact CD1-CD1 4.34Å; Y278-F471 AromaticContact CD1-CE1 3.41Å; Y278-F471 HydrophobicContact CD1-CE1 3.41Å; Y278-F471 VanDerWaalsContact CD1-CE1 3.41Å; Y278-F471 AromaticContact CD1-CE2 3.92Å; Y278-F471 HydrophobicContact CD1-CE2 3.92Å; Y278-F471 AromaticContact CD1-CZ 3.16Å; Y278-F471 HydrophobicContact CD1-CZ 3.16Å; Y278-F471 AromaticContact CE1-CE1 3.82Å; Y278-F471 HydrophobicContact CE1-CE1 3.82Å; Y278-F471 AromaticContact CE1-CZ 3.88Å; Y278-F471 HydrophobicContact CE1-CZ 3.88Å; Y278-F471 HydrophobicContact CG-CE1 4.27Å; Y278-F471 HydrophobicContact CG-CE2 4.02Å; Y278-F471 AromaticContact CG-CZ 3.56Å; Y278-F471 HydrophobicContact CG-CZ 3.56Å; Y278-L472 CarbonylContact C-O 3.6Å; Y278-L472 VanDerWaalsContact CA-O 3.23Å; Y278-L472 WeakPolarHBondContact CA-O 3.46Å
279	F	96.4	Very high	94.3	Very high	6 Å²	6	28.5 Å²	28.5	3%	0.026	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.2	170.7	-60.2	-91.9	0	0	0	108.5	L30 V31 A32 V277 L450 L452 L458 F471 L472	L30-F279 HydrophobicContact CD2-CD1 4.36Å; V31-F279 CarbonylContact O-C 3.54Å; V31-F279 WeakPolarHBondContact O-CA 3.23Å; A32-F279 HydrophobicContact CB-CD1 3.81Å; A32-F279 HydrophobicContact CB-CE1 3.75Å; V277-F279 HydrophobicContact CB-CE2 4.47Å; V277-F279 HydrophobicContact CG1-CE2 3.75Å; V277-F279 HydrophobicContact CG1-CZ 4.36Å; V277-F279 HydrophobicContact CG2-CD2 4.44Å; V277-F279 HydrophobicContact CG2-CE2 3.86Å; V277-F279 HydrophobicContact CG2-CZ 3.94Å; F279-L450 HydrophobicContact CD1-CD1 4.4Å; F279-L450 HydrophobicContact CD1-CD2 4.31Å; F279-L450 HydrophobicContact CD2-CD1 3.97Å; F279-L450 HydrophobicContact CE2-CD1 4.09Å; F279-L450 HydrophobicContact CG-CD1 4.14Å; F279-L450 HydrophobicContact CG-CD2 4.39Å; F279-L450 HydrophobicContact CZ-CD1 4.36Å; F279-L452 HydrophobicContact CE1-CD2 4.26Å; F279-L452 HydrophobicContact CE2-CD2 4.42Å; F279-L452 HydrophobicContact CZ-CD2 3.62Å; F279-L458 HydrophobicContact CE2-CD1 3.73Å; F279-L458 HydrophobicContact CE2-CD2 4.46Å; F279-L458 HydrophobicContact CZ-CD1 4.33Å; F279-F471 CarbonylContact O-C 3.58Å; F279-F471 WeakPolarHBondContact O-CA 3.42Å; F279-L472 HydrophobicContact CB-CB 4.36Å; F279-L472 HydrophobicContact CD2-CD2 4.23Å; F279-L472 PolarHBondContact N-O 3.19Å; F279-L472 PolarHBondContact O-N 3.31Å
280	A	96.8	Very high	94.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124.4	160.1	0	0	0	0	0	109.8	L30 V31 I267 L269 F469 L470 F471	L30-A280 CarbonylContact C-O 3.45Å; L30-A280 VanDerWaalsContact CA-O 3.25Å; L30-A280 WeakPolarHBondContact CA-O 3.37Å; V31-A280 PolarHBondContact N-O 3.27Å; V31-A280 PolarHBondContact O-N 3.22Å; I267-A280 HydrophobicContact CD1-CB 4.35Å; I267-A280 HydrophobicContact CG2-CB 3.66Å; L269-A280 HydrophobicContact CD2-CB 3.25Å; A280-F469 HydrophobicContact CB-CD2 3.67Å; A280-F469 HydrophobicContact CB-CE2 4.15Å; A280-F469 HydrophobicContact CB-CG 4.42Å; A280-L470 CarbonylContact C-O 3.49Å; A280-L470 VanDerWaalsContact CA-O 3.22Å; A280-L470 WeakPolarHBondContact CA-O 3.42Å; A280-F471 HydrophobicContact CB-CD2 4.48Å
281	V	96.6	Very high	94.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	108.6	179.2	-170.3	0	0	0	0	107.3	L30 V285 F286 I398 F448 L450 F469 L470	L30-V281 HydrophobicContact CD1-CG1 4.44Å; L30-V281 HydrophobicContact CD1-CG2 3.82Å; L30-V281 HydrophobicContact CG-CG2 4.17Å; V281-V285 HydrophobicContact CG1-CB 3.94Å; V281-V285 HydrophobicContact CG1-CG1 4.12Å; V281-V285 HydrophobicContact CG1-CG2 3.76Å; V281-F286 HydrophobicContact CB-CE2 4.28Å; V281-F286 HydrophobicContact CG1-CE2 3.69Å; V281-F286 HydrophobicContact CG1-CZ 3.93Å; V281-I398 HydrophobicContact CB-CD1 4.44Å; V281-I398 HydrophobicContact CG2-CD1 3.8Å; V281-F448 HydrophobicContact CG1-CE1 4.37Å; V281-L450 HydrophobicContact CG2-CD2 4.3Å; V281-F469 CarbonylContact O-C 3.59Å; V281-F469 WeakPolarHBondContact O-CA 3.49Å; V281-L470 HydrophobicContact CB-CB 4.27Å; V281-L470 PolarHBondContact N-O 2.86Å; V281-L470 PolarHBondContact O-N 2.83Å
282	S	96.1	Very high	95	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	156.9	-177.7	60.9	0	0	0	0	112.5	G29 Y284 V285 F286 D468	G29-S282 VanDerWaalsContact CA-OG 3.28Å; G29-S282 WeakPolarHBondContact CA-OG 3.49Å; G29-S282 WeakPolarHBondContact O-CB 3.49Å; G29-S282 PolarHBondContact O-N 3.46Å; G29-S282 PolarHBondContact O-OG 3.27Å; S282-Y284 PolarHBondContact O-N 2.89Å; S282-Y284 WeakPolarHBondContact OG-CB 3.48Å; S282-V285 WeakPolarHBondContact O-CB 3.42Å; S282-V285 PolarHBondContact O-N 2.9Å; S282-V285 VanDerWaalsContact O-N 3.13Å; S282-F286 VanDerWaalsContact O-CD2 3.31Å; S282-F286 WeakPolarHBondContact O-CD2 3.45Å; S282-D468 WeakPolarHBondContact CA-O 3.34Å
283	D	95.1	Very high	95.2	Very high	26 Å²	26	20.7 Å²	20.7	14%	0.139	11%	0.106	C	C	.	.	H	α-helix	trans	-54	-32	168.3	68	-11.2	0	0	0	112.6	P265 V285 F286 N287 F351 D468	P265-D283 WeakPolarHBondContact CG-OD1 3.48Å; D283-V285 VanDerWaalsContact C-N 3.28Å; D283-V285 PolarHBondContact O-N 2.78Å; D283-F286 PolarHBondContact O-N 2.87Å; D283-N287 WeakPolarHBondContact O-CB 3.34Å; D283-N287 VanDerWaalsContact O-CG 3.27Å; D283-N287 PolarHBondContact O-N 3.39Å; D283-N287 PolarHBondContact O-ND2 3.02Å; D283-F351 HydrophobicContact CB-CD2 3.35Å; D283-F351 HydrophobicContact CB-CE2 3.74Å; D283-F351 HydrophobicContact CB-CG 4.11Å; D283-D468 PolarHBondContact N-O 2.57Å
284	Y	95.9	Very high	95.3	Very high	18 Å²	18	19.6 Å²	19.6	7%	0.071	10%	0.101	C	C	.	.	H	α-helix	trans	-53.7	-39.7	174.9	166.9	-90	0	0	0	113	G249 E250 V260 L262 A264 S282 F286 N287 T288	G249-Y284 WeakPolarHBondContact O-CE1 3.12Å; E250-Y284 HydrophobicContact CB-CE1 4.17Å; E250-Y284 WeakPolarHBondContact CG-OH 3.47Å; E250-Y284 PolarHBondContact OE2-OH 3.06Å; V260-Y284 HydrophobicContact CG1-CE2 4.44Å; L262-Y284 HydrophobicContact CB-CD2 3.9Å; L262-Y284 HydrophobicContact CB-CE2 3.96Å; L262-Y284 WeakPolarHBondContact O-CE2 3.38Å; A264-Y284 HydrophobicContact CB-CD1 3.95Å; A264-Y284 HydrophobicContact CB-CD2 4.16Å; A264-Y284 HydrophobicContact CB-CE1 4.43Å; A264-Y284 HydrophobicContact CB-CG 3.8Å; S282-Y284 PolarHBondContact O-N 2.89Å; S282-Y284 WeakPolarHBondContact OG-CB 3.48Å; Y284-F286 VanDerWaalsContact C-N 3.33Å; Y284-F286 PolarHBondContact O-N 2.9Å; Y284-N287 PolarHBondContact O-N 3.02Å; Y284-T288 HydrophobicContact CD1-CG2 4.43Å; Y284-T288 HydrophobicContact CD2-CG2 4.14Å; Y284-T288 HydrophobicContact CE1-CG2 4.04Å; Y284-T288 HydrophobicContact CE2-CG2 3.72Å; Y284-T288 HydrophobicContact CG-CG2 4.47Å; Y284-T288 WeakPolarHBondContact O-CB 3.35Å; Y284-T288 VanDerWaalsContact O-CG2 3.3Å; Y284-T288 WeakPolarHBondContact O-CG2 3.49Å; Y284-T288 PolarHBondContact O-N 3.17Å; Y284-T288 PolarHBondContact O-OG1 3.09Å
285	V	95.4	Very high	95.2	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.006	10%	0.098	C	C	.	.	H	α-helix	trans	-60.5	-45.5	176.3	-177.1	0	0	0	0	110.5	G29 G249 I251 V281 S282 D283 T288 A289 F448	G29-V285 WeakPolarHBondContact O-CG2 3.46Å; G249-V285 VanDerWaalsContact O-CG2 3.27Å; G249-V285 WeakPolarHBondContact O-CG2 3.28Å; I251-V285 HydrophobicContact CD1-CG1 4.42Å; I251-V285 WeakPolarHBondContact CD1-O 3.41Å; V281-V285 HydrophobicContact CG1-CB 3.94Å; V281-V285 HydrophobicContact CG1-CG1 4.12Å; V281-V285 HydrophobicContact CG1-CG2 3.76Å; S282-V285 WeakPolarHBondContact O-CB 3.42Å; S282-V285 PolarHBondContact O-N 2.9Å; S282-V285 VanDerWaalsContact O-N 3.13Å; D283-V285 VanDerWaalsContact C-N 3.28Å; D283-V285 PolarHBondContact O-N 2.78Å; V285-T288 PolarHBondContact O-OG1 2.93Å; V285-A289 PolarHBondContact O-N 2.88Å; V285-F448 HydrophobicContact CG1-CE1 4.07Å; V285-F448 HydrophobicContact CG1-CE2 3.68Å; V285-F448 HydrophobicContact CG1-CZ 3.34Å
286	F	94.3	Very high	95	Very high	33 Å²	33	22.1 Å²	22.1	15%	0.145	11%	0.11	C	C	.	.	H	α-helix	trans	-74.1	-34.8	-179.1	-58	-83.2	0	0	0	112	V281 S282 D283 Y284 A289 S290 L349 F351 L391	V281-F286 HydrophobicContact CB-CE2 4.28Å; V281-F286 HydrophobicContact CG1-CE2 3.69Å; V281-F286 HydrophobicContact CG1-CZ 3.93Å; S282-F286 VanDerWaalsContact O-CD2 3.31Å; S282-F286 WeakPolarHBondContact O-CD2 3.45Å; D283-F286 PolarHBondContact O-N 2.87Å; Y284-F286 VanDerWaalsContact C-N 3.33Å; Y284-F286 PolarHBondContact O-N 2.9Å; F286-A289 WeakPolarHBondContact O-CB 3.49Å; F286-A289 PolarHBondContact O-N 2.79Å; F286-S290 PolarHBondContact O-N 3.44Å; F286-L349 HydrophobicContact CB-CB 4.4Å; F286-L349 HydrophobicContact CB-CD2 3.66Å; F286-L349 HydrophobicContact CD1-CD2 4.21Å; F286-L349 HydrophobicContact CD2-CD2 4.28Å; F286-L349 HydrophobicContact CG-CD2 3.8Å; F286-F351 AromaticContact CD2-CE2 3.78Å; F286-F351 HydrophobicContact CD2-CE2 3.78Å; F286-F351 AromaticContact CD2-CZ 3.57Å; F286-F351 HydrophobicContact CD2-CZ 3.57Å; F286-F351 HydrophobicContact CE2-CE1 4.4Å; F286-F351 HydrophobicContact CE2-CE2 4.21Å; F286-F351 AromaticContact CE2-CZ 3.51Å; F286-F351 HydrophobicContact CE2-CZ 3.51Å; F286-F351 HydrophobicContact CG-CE2 4.46Å; F286-F351 HydrophobicContact CG-CZ 4.43Å; F286-F351 HydrophobicContact CZ-CZ 4.33Å; F286-L391 HydrophobicContact CE1-CD1 4.39Å; F286-L391 HydrophobicContact CZ-CD1 4.09Å
287	N	95.3	Very high	94.7	Very high	10 Å²	10	22.3 Å²	22.3	5%	0.053	12%	0.116	C	C	.	.	H	α-helix	trans	-72.4	-33.9	179.4	-72.8	-30.4	0	0	0	112.5	L262 D283 Y284 A289 S290 L291 L348 L349	L262-N287 HydrophobicContact CD1-CB 3.77Å; D283-N287 WeakPolarHBondContact O-CB 3.34Å; D283-N287 VanDerWaalsContact O-CG 3.27Å; D283-N287 PolarHBondContact O-N 3.39Å; D283-N287 PolarHBondContact O-ND2 3.02Å; Y284-N287 PolarHBondContact O-N 3.02Å; N287-A289 VanDerWaalsContact C-N 3.34Å; N287-S290 PolarHBondContact O-N 2.9Å; N287-L291 PolarHBondContact O-N 3.23Å; N287-L348 HydrophobicContact CB-CD2 4.06Å; N287-L348 VanDerWaalsContact OD1-CA 3.3Å; N287-L348 WeakPolarHBondContact OD1-CA 3.34Å; N287-L349 PolarHBondContact ND2-O 3.29Å; N287-L349 PolarHBondContact OD1-N 3.41Å; N287-L349 PolarHBondContact OD1-O 3.45Å
288	T	95.5	Very high	94.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65.2	-37.7	168.8	51.2	0	0	0	0	111.6	E250 I251 V260 L262 Y284 V285 L291 V292	E250-T288 HydrophobicContact CG-CG2 4.2Å; I251-T288 PolarHBondContact N-OG1 2.81Å; I251-T288 VanDerWaalsContact N-OG1 3.12Å; V260-T288 HydrophobicContact CB-CG2 4.49Å; V260-T288 HydrophobicContact CG1-CG2 3.71Å; V260-T288 HydrophobicContact CG2-CG2 4.25Å; L262-T288 HydrophobicContact CD1-CG2 4.38Å; Y284-T288 HydrophobicContact CD1-CG2 4.43Å; Y284-T288 HydrophobicContact CD2-CG2 4.14Å; Y284-T288 HydrophobicContact CE1-CG2 4.04Å; Y284-T288 HydrophobicContact CE2-CG2 3.72Å; Y284-T288 HydrophobicContact CG-CG2 4.47Å; Y284-T288 WeakPolarHBondContact O-CB 3.35Å; Y284-T288 VanDerWaalsContact O-CG2 3.3Å; Y284-T288 WeakPolarHBondContact O-CG2 3.49Å; Y284-T288 PolarHBondContact O-N 3.17Å; Y284-T288 PolarHBondContact O-OG1 3.09Å; V285-T288 PolarHBondContact O-OG1 2.93Å; T288-L291 PolarHBondContact O-N 3.17Å; T288-V292 WeakPolarHBondContact O-CG2 3.38Å; T288-V292 PolarHBondContact O-N 3.43Å
289	A	93.5	Very high	93.9	Very high	18 Å²	18	28.4 Å²	28.4	15%	0.149	14%	0.14	C	C	.	.	H	α-helix	trans	-56.8	-54.3	168.5	0	0	0	0	0	110.8	I251 V285 F286 N287 L291 V292 Y293	I251-A289 HydrophobicContact CB-CB 4.36Å; I251-A289 HydrophobicContact CD1-CB 3.37Å; I251-A289 HydrophobicContact CG1-CB 4.42Å; I251-A289 HydrophobicContact CG2-CB 4.32Å; V285-A289 PolarHBondContact O-N 2.88Å; F286-A289 WeakPolarHBondContact O-CB 3.49Å; F286-A289 PolarHBondContact O-N 2.79Å; N287-A289 VanDerWaalsContact C-N 3.34Å; A289-L291 PolarHBondContact O-N 2.96Å; A289-L291 VanDerWaalsContact O-N 3.14Å; A289-V292 PolarHBondContact O-N 2.84Å; A289-V292 VanDerWaalsContact O-N 3.1Å; A289-Y293 HydrophobicContact CB-CD2 4.49Å; A289-Y293 VanDerWaalsContact O-CD2 3.28Å; A289-Y293 WeakPolarHBondContact O-CD2 3.37Å; A289-Y293 PolarHBondContact O-N 2.92Å
290	S	93.8	Very high	93.8	Very high	20 Å²	20	32.5 Å²	32.5	14%	0.14	16%	0.163	C	C	.	.	H	α-helix	trans	-55.9	-36.5	-177.9	-175.7	0	0	0	0	112.6	F286 N287 H294 P347	F286-S290 PolarHBondContact O-N 3.44Å; N287-S290 PolarHBondContact O-N 2.9Å; S290-H294 WeakPolarHBondContact O-CB 3.36Å; S290-H294 PolarHBondContact O-N 3.11Å; S290-H294 VanDerWaalsContact O-N 3.08Å; S290-P347 WeakPolarHBondContact CB-O 3.41Å; S290-P347 WeakPolarHBondContact OG-CD 3.47Å; S290-P347 PolarHBondContact OG-O 2.96Å
291	L	93.9	Very high	93.6	Very high	39 Å²	39	33.8 Å²	33.8	20%	0.204	17%	0.168	C	C	.	.	H	α-helix	trans	-66.1	-51.9	176.3	-176.8	65.2	0	0	0	111.5	V260 N287 T288 A289 Y293 H294 E295 A346	V260-L291 HydrophobicContact CG1-CD2 4.16Å; N287-L291 PolarHBondContact O-N 3.23Å; T288-L291 PolarHBondContact O-N 3.17Å; A289-L291 PolarHBondContact O-N 2.96Å; A289-L291 VanDerWaalsContact O-N 3.14Å; L291-Y293 PolarHBondContact O-N 2.85Å; L291-H294 WeakPolarHBondContact O-CB 3.39Å; L291-H294 PolarHBondContact O-N 3.04Å; L291-H294 VanDerWaalsContact O-N 3.12Å; L291-E295 HydrophobicContact CD1-CG 4.33Å; L291-E295 WeakPolarHBondContact O-CG 3.4Å; L291-E295 PolarHBondContact O-N 3.23Å; L291-A346 HydrophobicContact CB-CB 4.48Å; L291-A346 HydrophobicContact CD1-CB 4.22Å
292	V	94	Very high	93.5	Very high	10 Å²	10	36.1 Å²	36.1	6%	0.061	19%	0.185	C	C	.	.	H	α-helix	trans	-59.9	-44.2	-178.1	168.6	0	0	0	0	111.9	F225 A226 I251 H253 T288 A289 E296	F225-V292 HydrophobicContact CD2-CG1 4.25Å; F225-V292 HydrophobicContact CE2-CG1 3.83Å; A226-V292 HydrophobicContact CB-CG1 4.31Å; I251-V292 HydrophobicContact CG2-CB 4.44Å; I251-V292 HydrophobicContact CG2-CG2 4.37Å; H253-V292 HydrophobicContact CB-CG1 4.27Å; T288-V292 WeakPolarHBondContact O-CG2 3.38Å; T288-V292 PolarHBondContact O-N 3.43Å; A289-V292 PolarHBondContact O-N 2.84Å; A289-V292 VanDerWaalsContact O-N 3.1Å; V292-E296 WeakPolarHBondContact O-CG 3.38Å; V292-E296 PolarHBondContact O-N 3.08Å
293	Y	92.9	Very high	93.4	Very high	38 Å²	38	36.1 Å²	36.1	15%	0.149	19%	0.185	C	C	.	.	H	α-helix	trans	-70.8	-31.3	177.2	-77.9	-90.8	0	0	0	112.6	D223 F225 A226 A289 L291 G297 Y298 K443	D223-Y293 PolarHBondContact OD2-OH 2.92Å; F225-Y293 HydrophobicContact CE1-CD1 4.33Å; F225-Y293 AromaticContact CE1-CE1 3.99Å; F225-Y293 HydrophobicContact CE1-CE1 3.99Å; F225-Y293 HydrophobicContact CE2-CD1 4.39Å; F225-Y293 HydrophobicContact CE2-CE1 4.49Å; F225-Y293 AromaticContact CZ-CD1 3.52Å; F225-Y293 HydrophobicContact CZ-CD1 3.52Å; F225-Y293 AromaticContact CZ-CE1 3.52Å; F225-Y293 HydrophobicContact CZ-CE1 3.52Å; F225-Y293 HydrophobicContact CZ-CG 4.16Å; A226-Y293 HydrophobicContact CB-CE2 4.31Å; A289-Y293 HydrophobicContact CB-CD2 4.49Å; A289-Y293 VanDerWaalsContact O-CD2 3.28Å; A289-Y293 WeakPolarHBondContact O-CD2 3.37Å; A289-Y293 PolarHBondContact O-N 2.92Å; L291-Y293 PolarHBondContact O-N 2.85Å; Y293-G297 PolarHBondContact O-N 3.4Å; Y293-Y298 HydrophobicContact CD1-CD1 4.2Å; Y293-Y298 HydrophobicContact CD1-CD2 4.29Å; Y293-Y298 AromaticContact CD1-CG 3.94Å; Y293-Y298 HydrophobicContact CD1-CG 3.94Å; Y293-Y298 WeakPolarHBondContact O-CB 3.3Å; Y293-Y298 PolarHBondContact O-N 3.48Å; Y293-K443 VanDerWaalsContact OH-CE 3.29Å; Y293-K443 WeakPolarHBondContact OH-CE 3.2Å
294	H	93.6	Very high	93.3	Very high	40 Å²	40	36.3 Å²	36.3	19%	0.185	19%	0.187	C	C	.	.	H	α-helix	trans	-66.9	-46.2	174.8	171.6	-115.3	0	0	0	111.6	S290 L291 E296 G297 L299 V343 A346	S290-H294 WeakPolarHBondContact O-CB 3.36Å; S290-H294 PolarHBondContact O-N 3.11Å; S290-H294 VanDerWaalsContact O-N 3.08Å; L291-H294 WeakPolarHBondContact O-CB 3.39Å; L291-H294 PolarHBondContact O-N 3.04Å; L291-H294 VanDerWaalsContact O-N 3.12Å; H294-E296 VanDerWaalsContact C-N 3.31Å; H294-E296 PolarHBondContact O-N 2.77Å; H294-G297 WeakPolarHBondContact O-CA 2.92Å; H294-G297 PolarHBondContact O-N 3.04Å; H294-L299 HydrophobicContact CB-CD1 3.89Å; H294-V343 PolarHBondContact CD2-O 3.37Å; H294-V343 PolarHBondContact NE2-O 3.25Å; H294-A346 HydrophobicContact CB-CB 3.75Å; H294-A346 PolarHBondContact ND1-N 3.42Å
295	E	92.1	Very high	93.1	Very high	100 Å²	100	36.8 Å²	36.8	47%	0.467	19%	0.19	S	C	.	.	H	α-helix	trans	-62.6	-36.3	178.8	-72.3	178.7	171.6	0	0	112.5	L291 G297	L291-E295 HydrophobicContact CD1-CG 4.33Å; L291-E295 WeakPolarHBondContact O-CG 3.4Å; L291-E295 PolarHBondContact O-N 3.23Å; E295-G297 PolarHBondContact O-N 3.21Å
296	E	92.1	Very high	92.9	Very high	77 Å²	77	42.8 Å²	42.8	36%	0.36	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	2.1	174.1	-69.4	-61.3	134.2	0	0	113.5	F225 H253 H256 V292 H294 Y298	F225-E296 HydrophobicContact CD2-CB 4.47Å; F225-E296 HydrophobicContact CD2-CG 3.68Å; F225-E296 HydrophobicContact CE2-CB 3.94Å; F225-E296 HydrophobicContact CE2-CG 3.53Å; F225-E296 HydrophobicContact CG-CG 4.48Å; F225-E296 HydrophobicContact CZ-CB 4.25Å; F225-E296 HydrophobicContact CZ-CG 4.3Å; H253-E296 IonicContact CD2-OE1 2.67Å; H253-E296 PolarHBondContact CD2-OE1 3.1Å; H253-E296 IonicContact CE1-OE1 3.24Å; H253-E296 IonicContact CG-OE1 3.24Å; H253-E296 VanDerWaalsContact NE2-CD 3.3Å; H253-E296 IonicContact NE2-OE1 3.16Å; H253-E296 PolarHBondContact NE2-OE1 3.4Å; H253-E296 VanDerWaalsContact NE2-OE1 3.1Å; H253-E296 IonicContact NE2-OE2 3.67Å; H256-E296 IonicContact CD2-OE1 2.77Å; H256-E296 IonicContact CE1-OE1 3.36Å; H256-E296 IonicContact NE2-OE1 3.04Å; H256-E296 PolarHBondContact NE2-OE1 2.89Å; V292-E296 WeakPolarHBondContact O-CG 3.38Å; V292-E296 PolarHBondContact O-N 3.08Å; H294-E296 VanDerWaalsContact C-N 3.31Å; H294-E296 PolarHBondContact O-N 2.77Å; E296-Y298 VanDerWaalsContact C-N 3.28Å; E296-Y298 HydrophobicContact CB-CD2 3.76Å; E296-Y298 HydrophobicContact CB-CE2 4.05Å; E296-Y298 PolarHBondContact O-N 3.14Å
297	G	91.6	Very high	92.6	Very high	22 Å²	22	44.9 Å²	44.9	23%	0.227	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	15.6	175.1	0	0	0	0	0	114.8	Y293 H294 E295 L299 N300	Y293-G297 PolarHBondContact O-N 3.4Å; H294-G297 WeakPolarHBondContact O-CA 2.92Å; H294-G297 PolarHBondContact O-N 3.04Å; E295-G297 PolarHBondContact O-N 3.21Å; G297-L299 PolarHBondContact O-N 3.4Å; G297-L299 VanDerWaalsContact O-N 3.1Å; G297-N300 WeakPolarHBondContact O-CB 3.33Å; G297-N300 PolarHBondContact O-N 2.8Å
298	Y	89.5	Confident	92.2	Very high	119 Å²	119	44.8 Å²	44.8	47%	0.467	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-15.7	177.3	-87.6	-103.3	0	0	0	113.4	F225 Y293 E296	F225-Y298 AromaticContact CD1-CE2 3.92Å; F225-Y298 HydrophobicContact CD1-CE2 3.92Å; F225-Y298 AromaticContact CE1-CD2 3.94Å; F225-Y298 HydrophobicContact CE1-CD2 3.94Å; F225-Y298 HydrophobicContact CE1-CE1 4.1Å; F225-Y298 AromaticContact CE1-CE2 3.12Å; F225-Y298 HydrophobicContact CE1-CE2 3.12Å; F225-Y298 AromaticContact CE1-CZ 3.22Å; F225-Y298 WeakPolarHBondContact CE1-OH 3.49Å; F225-Y298 HydrophobicContact CE2-CE2 4.32Å; F225-Y298 AromaticContact CZ-CD2 3.67Å; F225-Y298 HydrophobicContact CZ-CD2 3.67Å; F225-Y298 AromaticContact CZ-CE2 3.32Å; F225-Y298 HydrophobicContact CZ-CE2 3.32Å; F225-Y298 HydrophobicContact CZ-CG 4.44Å; F225-Y298 AromaticContact CZ-CZ 3.85Å; Y293-Y298 HydrophobicContact CD1-CD1 4.2Å; Y293-Y298 HydrophobicContact CD1-CD2 4.29Å; Y293-Y298 AromaticContact CD1-CG 3.94Å; Y293-Y298 HydrophobicContact CD1-CG 3.94Å; Y293-Y298 WeakPolarHBondContact O-CB 3.3Å; Y293-Y298 PolarHBondContact O-N 3.48Å; E296-Y298 VanDerWaalsContact C-N 3.28Å; E296-Y298 HydrophobicContact CB-CD2 3.76Å; E296-Y298 HydrophobicContact CB-CE2 4.05Å; E296-Y298 PolarHBondContact O-N 3.14Å
299	L	88.3	Confident	91.7	Very high	19 Å²	19	45.5 Å²	45.5	10%	0.099	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-0.6	176.6	-53.4	-175.5	0	0	0	113.3	H294 G297 V343 P347 F440	H294-L299 HydrophobicContact CB-CD1 3.89Å; G297-L299 PolarHBondContact O-N 3.4Å; G297-L299 VanDerWaalsContact O-N 3.1Å; L299-V343 HydrophobicContact CB-CB 3.98Å; L299-V343 HydrophobicContact CB-CG2 3.81Å; L299-V343 HydrophobicContact CD1-CB 4.13Å; L299-V343 HydrophobicContact CD1-CG1 4.1Å; L299-V343 HydrophobicContact CD1-CG2 4.26Å; L299-P347 VanDerWaalsContact CD1-CD 3.49Å; L299-P347 HydrophobicContact CD1-CG 3.99Å; L299-F440 HydrophobicContact CD2-CE1 3.57Å; L299-F440 HydrophobicContact CD2-CZ 3.54Å
300	N	93.1	Very high	91.3	Very high	92 Å²	92	50.8 Å²	50.8	49%	0.492	27%	0.271	S	S	.	.			trans	-85.9	142.2	175.7	-61.3	-26.7	0	0	0	110.5	G297 G341 S342	G297-N300 WeakPolarHBondContact O-CB 3.33Å; G297-N300 PolarHBondContact O-N 2.8Å; N300-G341 WeakPolarHBondContact CA-O 3.18Å; N300-S342 WeakPolarHBondContact OD1-CB 3.33Å
301	F	93.1	Very high	90.9	Very high	27 Å²	27	56.2 Å²	56.2	12%	0.118	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	160.6	-179.1	60.1	-90.1	0	0	0	112.2	I303 Q340 G341 M362 I364 Y431 L436	F301-I303 HydrophobicContact CD2-CD1 4.38Å; F301-I303 HydrophobicContact CD2-CG1 4.06Å; F301-I303 HydrophobicContact CE2-CD1 4.07Å; F301-I303 HydrophobicContact CE2-CG1 4.22Å; F301-Q340 CarbonylContact O-C 3.6Å; F301-Q340 WeakPolarHBondContact O-CA 3.48Å; F301-G341 PolarHBondContact N-O 2.9Å; F301-G341 PolarHBondContact O-N 2.94Å; F301-M362 HydrophobicContact CE1-SD 3.88Å; F301-M362 HydrophobicContact CZ-SD 4.11Å; F301-I364 HydrophobicContact CE2-CD1 4.37Å; F301-I364 HydrophobicContact CZ-CD1 4.18Å; F301-I364 HydrophobicContact CZ-CG1 4.28Å; F301-Y431 AromaticContact CD2-CE1 3.7Å; F301-Y431 HydrophobicContact CD2-CE1 3.7Å; F301-Y431 HydrophobicContact CE2-CE1 4.1Å; F301-Y431 HydrophobicContact CG-CE1 4.34Å; F301-L436 HydrophobicContact CB-CD2 4.12Å; F301-L436 HydrophobicContact CD1-CD1 4.28Å; F301-L436 HydrophobicContact CD1-CD2 4.23Å; F301-L436 HydrophobicContact CE1-CD1 4.14Å; F301-L436 HydrophobicContact CE2-CD1 4.37Å; F301-L436 HydrophobicContact CG-CD1 4.45Å; F301-L436 HydrophobicContact CG-CD2 4.11Å; F301-L436 HydrophobicContact CZ-CD1 4.18Å
302	S	94.4	Very high	90.3	Very high	49 Å²	49	56.2 Å²	56.2	34%	0.343	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	147.1	170.1	61.2	0	0	0	0	110.8	L339 Y431	S302-L339 CarbonylContact C-O 3.59Å; S302-L339 VanDerWaalsContact CA-O 3.28Å; S302-L339 WeakPolarHBondContact CA-O 3.41Å; S302-Y431 PolarHBondContact O-OH 2.82Å; S302-Y431 VanDerWaalsContact O-OH 3.05Å
303	I	94.4	Very high	89.7	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	118.5	176.7	-40.9	179.8	0	0	0	107.5	F301 I308 L316 E338 L339 L428 Y431	F301-I303 HydrophobicContact CD2-CD1 4.38Å; F301-I303 HydrophobicContact CD2-CG1 4.06Å; F301-I303 HydrophobicContact CE2-CD1 4.07Å; F301-I303 HydrophobicContact CE2-CG1 4.22Å; I303-I308 HydrophobicContact CG2-CD1 4Å; I303-L316 HydrophobicContact CB-CD1 4.18Å; I303-L316 HydrophobicContact CG2-CD1 3.72Å; I303-E338 WeakPolarHBondContact O-CA 3.37Å; I303-L339 HydrophobicContact CB-CB 4.09Å; I303-L339 HydrophobicContact CD1-CB 4.4Å; I303-L339 HydrophobicContact CD1-CD1 4.3Å; I303-L339 HydrophobicContact CG1-CB 4.32Å; I303-L339 PolarHBondContact N-O 3.43Å; I303-L339 PolarHBondContact O-N 3.4Å; I303-L428 HydrophobicContact CD1-CD2 3.99Å; I303-Y431 HydrophobicContact CB-CE2 4.37Å; I303-Y431 HydrophobicContact CD1-CD1 3.48Å; I303-Y431 VanDerWaalsContact CD1-CD1 3.48Å; I303-Y431 HydrophobicContact CD1-CD2 4.12Å; I303-Y431 HydrophobicContact CD1-CE1 3.81Å; I303-Y431 HydrophobicContact CD1-CE2 4.39Å; I303-Y431 HydrophobicContact CD1-CG 3.65Å; I303-Y431 HydrophobicContact CG1-CD1 3.9Å; I303-Y431 HydrophobicContact CG1-CD2 4.04Å; I303-Y431 HydrophobicContact CG1-CE1 3.72Å; I303-Y431 HydrophobicContact CG1-CE2 3.86Å; I303-Y431 HydrophobicContact CG1-CG 4.04Å; I303-Y431 HydrophobicContact CG2-CD2 3.85Å; I303-Y431 HydrophobicContact CG2-CE2 4.06Å; I303-Y431 HydrophobicContact CG2-CG 4.34Å
304	T	93.1	Very high	89.2	Confident	30 Å²	30	63.2 Å²	63.2	18%	0.184	34%	0.341	C	S	.	.			trans	-112.4	162.2	175.1	51.7	0	0	0	0	110.1	D306 M307 E338	T304-D306 WeakPolarHBondContact CB-OD1 3.46Å; T304-D306 PolarHBondContact O-N 3.35Å; T304-D306 PolarHBondContact OG1-OD1 3.22Å; T304-M307 WeakPolarHBondContact O-CB 3.5Å; T304-M307 PolarHBondContact O-N 3.26Å; T304-M307 VanDerWaalsContact O-N 3.07Å; T304-M307 WeakPolarHBondContact OG1-CE 3.29Å; T304-E338 HydrophobicContact CG2-CG 4.02Å
305	D	91.4	Very high	89	Confident	28 Å²	28	64.4 Å²	64.4	15%	0.15	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-60.7	-30.9	-175.5	-170.1	61.7	0	0	0	113.3	M307 I308 R315 L316	D305-M307 PolarHBondContact O-N 3.3Å; D305-I308 WeakPolarHBondContact O-CB 3.31Å; D305-I308 PolarHBondContact O-N 3.05Å; D305-I308 VanDerWaalsContact O-N 3.11Å; D305-R315 PolarHBondContact O-NH2 2.86Å; D305-R315 WeakPolarHBondContact OD1-CB 3.37Å; D305-R315 IonicContact OD1-CZ 3.53Å; D305-R315 IonicContact OD1-NE 3.09Å; D305-R315 PolarHBondContact OD1-NE 3.1Å; D305-R315 VanDerWaalsContact OD1-NE 3.09Å; D305-R315 IonicContact OD1-NH2 3.51Å; D305-R315 IonicContact OD2-CZ 3.37Å; D305-R315 IonicContact OD2-NE 3.25Å; D305-R315 PolarHBondContact OD2-NE 3.3Å; D305-R315 IonicContact OD2-NH2 2.71Å; D305-R315 PolarHBondContact OD2-NH2 2.84Å; D305-L316 HydrophobicContact CB-CB 4.02Å; D305-L316 PolarHBondContact OD1-N 3.5Å
306	D	90.7	Very high	89.1	Confident	127 Å²	127	59.6 Å²	59.6	68%	0.679	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-67.2	-20.8	177	60	-70.9	0	0	0	113.6	T304 I308	T304-D306 WeakPolarHBondContact CB-OD1 3.46Å; T304-D306 PolarHBondContact O-N 3.35Å; T304-D306 PolarHBondContact OG1-OD1 3.22Å; D306-I308 VanDerWaalsContact C-N 3.29Å
307	M	88.8	Confident	89.2	Confident	78 Å²	78	57.2 Å²	57.2	38%	0.384	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-80.8	-11.6	174.4	-57.6	-179.1	-174.6	0	0	112.8	T304 D305 Y431	T304-M307 WeakPolarHBondContact O-CB 3.5Å; T304-M307 PolarHBondContact O-N 3.26Å; T304-M307 VanDerWaalsContact O-N 3.07Å; T304-M307 WeakPolarHBondContact OG1-CE 3.29Å; D305-M307 PolarHBondContact O-N 3.3Å; M307-Y431 HydrophobicContact SD-CE2 4.02Å
308	I	86.3	Confident	89.3	Confident	7 Å²	7	56.2 Å²	56.2	4%	0.036	30%	0.301	C	S	.	.	S	Bend	trans	-83.2	134.5	179.3	-53	-55.5	0	0	0	109.2	I303 D305 D306 I314 R315 L316 L427	I303-I308 HydrophobicContact CG2-CD1 4Å; D305-I308 WeakPolarHBondContact O-CB 3.31Å; D305-I308 PolarHBondContact O-N 3.05Å; D305-I308 VanDerWaalsContact O-N 3.11Å; D306-I308 VanDerWaalsContact C-N 3.29Å; I308-I314 WeakPolarHBondContact CG2-O 3.43Å; I308-R315 PolarHBondContact O-NH1 3.37Å; I308-L316 HydrophobicContact CD1-CD1 4.09Å; I308-L316 HydrophobicContact CD1-CG 4.24Å; I308-L316 HydrophobicContact CG1-CD1 4.13Å; I308-L316 HydrophobicContact CG1-CG 4.03Å; I308-L427 HydrophobicContact CD1-CD1 3.99Å; I308-L427 HydrophobicContact CD1-CD2 3.98Å; I308-L427 HydrophobicContact CD1-CG 3.89Å; I308-L427 HydrophobicContact CG1-CD1 4.49Å
309	P	85.3	Confident	89.5	Confident	16 Å²	16	57.7 Å²	57.7	10%	0.104	31%	0.31	C	S	.	.			trans	-54	141.5	177.3	-27.9	36.1	0	0	0	112.6	D311 S312 R315 Y430	P309-D311 WeakPolarHBondContact CB-OD1 3.43Å; P309-D311 PolarHBondContact O-N 2.95Å; P309-S312 VanDerWaalsContact O-CB 3.31Å; P309-S312 WeakPolarHBondContact O-CB 3.39Å; P309-S312 PolarHBondContact O-N 2.76Å; P309-S312 VanDerWaalsContact O-N 3.11Å; P309-R315 PolarHBondContact O-NH1 2.86Å; P309-R315 VanDerWaalsContact O-NH1 3.11Å; P309-Y430 HydrophobicContact CG-CD1 3.82Å; P309-Y430 HydrophobicContact CG-CD2 4.23Å; P309-Y430 HydrophobicContact CG-CE1 3.16Å; P309-Y430 HydrophobicContact CG-CE2 3.61Å; P309-Y430 HydrophobicContact CG-CG 4.34Å; P309-Y430 VanDerWaalsContact CG-OH 3.24Å; P309-Y430 WeakPolarHBondContact CG-OH 3.4Å
310	P	85	Confident	89.6	Confident	129 Å²	129	58.1 Å²	58.1	84%	0.838	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-28.8	179.4	-24.7	34.3	0	0	0	114
311	D	84.6	Confident	89.6	Confident	134 Å²	134	53.7 Å²	53.7	72%	0.717	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-2.5	-180	61	-38.4	0	0	0	113.9	P309 N313	P309-D311 WeakPolarHBondContact CB-OD1 3.43Å; P309-D311 PolarHBondContact O-N 2.95Å; D311-N313 PolarHBondContact O-N 3.42Å
312	S	83.1	Confident	89.5	Confident	39 Å²	39	60.8 Å²	60.8	27%	0.273	32%	0.317	S	S	.	.			trans	-66.8	131.3	176.6	179.4	0	0	0	0	112	P309 I314	P309-S312 VanDerWaalsContact O-CB 3.31Å; P309-S312 WeakPolarHBondContact O-CB 3.39Å; P309-S312 PolarHBondContact O-N 2.76Å; P309-S312 VanDerWaalsContact O-N 3.11Å; S312-I314 PolarHBondContact O-N 3.43Å; S312-I314 PolarHBondContact OG-N 2.9Å; S312-I314 PolarHBondContact OG-O 3.31Å
313	N	80.1	Confident	89.2	Confident	161 Å²	161	63.9 Å²	63.9	86%	0.861	34%	0.336	S	S	*	.	S	Bend	trans	-67.2	-19	174.3	-68.5	-35	0	0	0	113.5	D311	D311-N313 PolarHBondContact O-N 3.42Å
314	I	83.1	Confident	88.8	Confident	33 Å²	33	65.4 Å²	65.4	17%	0.169	34%	0.343	C	S	.	.			trans	-118.7	120.8	-179.8	-56.4	176.8	0	0	0	108.4	I308 S312 F321 F324 L423 L427	I308-I314 WeakPolarHBondContact CG2-O 3.43Å; S312-I314 PolarHBondContact O-N 3.43Å; S312-I314 PolarHBondContact OG-N 2.9Å; S312-I314 PolarHBondContact OG-O 3.31Å; I314-F321 HydrophobicContact CG2-CE2 4.13Å; I314-F324 HydrophobicContact CG2-CZ 4.27Å; I314-L423 VanDerWaalsContact CD1-O 3.25Å; I314-L423 WeakPolarHBondContact CD1-O 3.37Å; I314-L427 HydrophobicContact CB-CD1 4.48Å; I314-L427 HydrophobicContact CG2-CD1 3.97Å
315	R	90.3	Very high	88.7	Confident	65 Å²	65	64.1 Å²	64.1	25%	0.245	33%	0.334	C	S	.	.			trans	-104.5	152.4	173.3	-62.5	-62	-63.9	-177.1	-0.5	109.8	D305 I308 P309 T317 S320 F321	D305-R315 PolarHBondContact O-NH2 2.86Å; D305-R315 WeakPolarHBondContact OD1-CB 3.37Å; D305-R315 IonicContact OD1-CZ 3.53Å; D305-R315 IonicContact OD1-NE 3.09Å; D305-R315 PolarHBondContact OD1-NE 3.1Å; D305-R315 VanDerWaalsContact OD1-NE 3.09Å; D305-R315 IonicContact OD1-NH2 3.51Å; D305-R315 IonicContact OD2-CZ 3.37Å; D305-R315 IonicContact OD2-NE 3.25Å; D305-R315 PolarHBondContact OD2-NE 3.3Å; D305-R315 IonicContact OD2-NH2 2.71Å; D305-R315 PolarHBondContact OD2-NH2 2.84Å; I308-R315 PolarHBondContact O-NH1 3.37Å; P309-R315 PolarHBondContact O-NH1 2.86Å; P309-R315 VanDerWaalsContact O-NH1 3.11Å; R315-T317 HydrophobicContact CB-CG2 4.34Å; R315-T317 PolarHBondContact O-N 3.48Å; R315-S320 PolarHBondContact N-OG 2.87Å; R315-S320 WeakPolarHBondContact O-CB 3.37Å; R315-S320 PolarHBondContact O-OG 2.8Å; R315-F321 WeakPolarHBondContact O-CD2 3.34Å; R315-F321 VanDerWaalsContact O-CE2 3.24Å; R315-F321 WeakPolarHBondContact O-CE2 3.48Å
316	L	93.5	Very high	88.7	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.353	C	S	.	.	S	Bend	trans	-78.6	63.8	173.6	-70.1	-179.4	0	0	0	110.4	I303 D305 I308 F321 L337 L339 L427	I303-L316 HydrophobicContact CB-CD1 4.18Å; I303-L316 HydrophobicContact CG2-CD1 3.72Å; D305-L316 HydrophobicContact CB-CB 4.02Å; D305-L316 PolarHBondContact OD1-N 3.5Å; I308-L316 HydrophobicContact CD1-CD1 4.09Å; I308-L316 HydrophobicContact CD1-CG 4.24Å; I308-L316 HydrophobicContact CG1-CD1 4.13Å; I308-L316 HydrophobicContact CG1-CG 4.03Å; L316-F321 HydrophobicContact CD2-CE2 4.11Å; L316-F321 HydrophobicContact CD2-CZ 3.98Å; L316-L337 HydrophobicContact CB-CB 4.15Å; L316-L337 PolarHBondContact O-N 2.86Å; L316-L339 HydrophobicContact CD1-CD1 4.45Å; L316-L339 HydrophobicContact CD1-CG 4.32Å; L316-L339 HydrophobicContact CD2-CD1 3.86Å; L316-L339 HydrophobicContact CD2-CG 4.05Å; L316-L427 HydrophobicContact CD2-CD1 3.75Å; L316-L427 HydrophobicContact CD2-CD2 4.2Å; L316-L427 HydrophobicContact CG-CD1 4.09Å
317	T	93.9	Very high	88.9	Confident	27 Å²	27	67 Å²	67	17%	0.166	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-136.8	149.2	176.9	65.9	0	0	0	0	110.6	R315 K319 S320 F321 M335	R315-T317 HydrophobicContact CB-CG2 4.34Å; R315-T317 PolarHBondContact O-N 3.48Å; T317-K319 PolarHBondContact O-N 2.67Å; T317-S320 PolarHBondContact O-N 2.97Å; T317-S320 VanDerWaalsContact O-N 3.11Å; T317-S320 WeakPolarHBondContact OG1-CB 3.39Å; T317-S320 PolarHBondContact OG1-N 2.85Å; T317-F321 VanDerWaalsContact O-CD2 3.29Å; T317-F321 WeakPolarHBondContact O-CD2 3.33Å; T317-F321 PolarHBondContact O-N 3.43Å; T317-M335 WeakPolarHBondContact CA-O 3.41Å
318	T	94.1	Very high	89.2	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-62.5	-28.7	178.6	63.1	0	0	0	0	112.2	F321 R322 L328 A329 Y332 N334 M335 L337 V368	T318-F321 PolarHBondContact O-N 3.33Å; T318-R322 PolarHBondContact O-N 3.45Å; T318-L328 HydrophobicContact CG2-CD1 4.29Å; T318-L328 HydrophobicContact CG2-CD2 4.4Å; T318-L328 HydrophobicContact CG2-CG 4Å; T318-A329 WeakPolarHBondContact O-CB 3.32Å; T318-Y332 WeakPolarHBondContact CB-O 3.18Å; T318-Y332 VanDerWaalsContact CG2-O 3.31Å; T318-Y332 WeakPolarHBondContact CG2-O 3.42Å; T318-Y332 PolarHBondContact OG1-O 2.78Å; T318-N334 PolarHBondContact OG1-N 3.46Å; T318-M335 HydrophobicContact CG2-CB 4.08Å; T318-M335 PolarHBondContact N-O 3.15Å; T318-M335 PolarHBondContact OG1-N 2.9Å; T318-M335 PolarHBondContact OG1-O 3.24Å; T318-L337 HydrophobicContact CG2-CD2 3.97Å; T318-L337 HydrophobicContact CG2-CG 4.36Å; T318-V368 HydrophobicContact CG2-CG2 4.25Å
319	K	93.1	Very high	89.5	Confident	151 Å²	151	63.8 Å²	63.8	66%	0.657	33%	0.331	S	S	*	.	H	α-helix	trans	-64.9	-47.7	173.3	-177.2	180	176.3	-174.6	0	111.8	T317 F321 R322	T317-K319 PolarHBondContact O-N 2.67Å; K319-F321 VanDerWaalsContact C-N 3.26Å; K319-F321 PolarHBondContact O-N 3.32Å; K319-R322 VanDerWaalsContact O-CB 3.27Å; K319-R322 WeakPolarHBondContact O-CB 3.34Å; K319-R322 PolarHBondContact O-N 2.91Å
320	S	91.4	Very high	90	Very high	27 Å²	27	72.1 Å²	72.1	19%	0.189	36%	0.361	C	S	.	.	H	α-helix	trans	-66.1	-30.5	178.2	-169.7	0	0	0	0	112.3	R315 T317 R322 P323 F324	R315-S320 PolarHBondContact N-OG 2.87Å; R315-S320 WeakPolarHBondContact O-CB 3.37Å; R315-S320 PolarHBondContact O-OG 2.8Å; T317-S320 PolarHBondContact O-N 2.97Å; T317-S320 VanDerWaalsContact O-N 3.11Å; T317-S320 WeakPolarHBondContact OG1-CB 3.39Å; T317-S320 PolarHBondContact OG1-N 2.85Å; S320-R322 VanDerWaalsContact C-N 3.33Å; S320-P323 VanDerWaalsContact O-CD 3.24Å; S320-P323 WeakPolarHBondContact O-CD 3.12Å; S320-F324 WeakPolarHBondContact O-CE1 3.3Å
321	F	91.6	Very high	90.5	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-79.9	-12.1	179.4	-82.7	-126.8	0	0	0	113.8	I314 R315 L316 T317 T318 K319 F324 V325 L328 L337 F379 L424	I314-F321 HydrophobicContact CG2-CE2 4.13Å; R315-F321 WeakPolarHBondContact O-CD2 3.34Å; R315-F321 VanDerWaalsContact O-CE2 3.24Å; R315-F321 WeakPolarHBondContact O-CE2 3.48Å; L316-F321 HydrophobicContact CD2-CE2 4.11Å; L316-F321 HydrophobicContact CD2-CZ 3.98Å; T317-F321 VanDerWaalsContact O-CD2 3.29Å; T317-F321 WeakPolarHBondContact O-CD2 3.33Å; T317-F321 PolarHBondContact O-N 3.43Å; T318-F321 PolarHBondContact O-N 3.33Å; K319-F321 VanDerWaalsContact C-N 3.26Å; K319-F321 PolarHBondContact O-N 3.32Å; F321-F324 VanDerWaalsContact CA-CZ 3.48Å; F321-F324 HydrophobicContact CB-CE2 4Å; F321-F324 HydrophobicContact CB-CZ 3.96Å; F321-F324 HydrophobicContact CD1-CD2 4.36Å; F321-F324 AromaticContact CD1-CE2 3.38Å; F321-F324 HydrophobicContact CD1-CE2 3.38Å; F321-F324 AromaticContact CD1-CZ 3.85Å; F321-F324 HydrophobicContact CD1-CZ 3.85Å; F321-F324 HydrophobicContact CD2-CE2 4.19Å; F321-F324 AromaticContact CD2-CZ 3.77Å; F321-F324 HydrophobicContact CD2-CZ 3.77Å; F321-F324 AromaticContact CE1-CE2 3.81Å; F321-F324 HydrophobicContact CE1-CE2 3.81Å; F321-F324 HydrophobicContact CE1-CZ 4.27Å; F321-F324 HydrophobicContact CE2-CZ 4.18Å; F321-F324 AromaticContact CG-CE2 3.59Å; F321-F324 HydrophobicContact CG-CE2 3.59Å; F321-F324 AromaticContact CG-CZ 3.57Å; F321-F324 HydrophobicContact CG-CZ 3.57Å; F321-F324 HydrophobicContact CZ-CE2 4.37Å; F321-F324 HydrophobicContact CZ-CZ 4.43Å; F321-F324 PolarHBondContact O-N 3.2Å; F321-F324 VanDerWaalsContact O-N 3.11Å; F321-V325 HydrophobicContact CD1-CG2 4.15Å; F321-V325 PolarHBondContact O-N 3.16Å; F321-L328 HydrophobicContact CB-CD2 3.91Å; F321-L328 HydrophobicContact CD1-CD2 3.98Å; F321-L328 HydrophobicContact CG-CD2 4.23Å; F321-L337 HydrophobicContact CD1-CD1 3.83Å; F321-L337 HydrophobicContact CD2-CD1 3.69Å; F321-L337 HydrophobicContact CE1-CD1 3.85Å; F321-L337 HydrophobicContact CE2-CD1 3.73Å; F321-L337 HydrophobicContact CG-CD1 3.76Å; F321-L337 HydrophobicContact CZ-CD1 3.79Å; F321-F379 HydrophobicContact CE1-CE1 4.37Å; F321-F379 AromaticContact CE1-CZ 3.89Å; F321-F379 HydrophobicContact CE1-CZ 3.89Å; F321-L424 HydrophobicContact CE1-CD1 4.09Å; F321-L424 HydrophobicContact CE1-CD2 3.56Å; F321-L424 HydrophobicContact CE1-CG 4.44Å; F321-L424 HydrophobicContact CE2-CD2 4.31Å; F321-L424 HydrophobicContact CZ-CD2 3.42Å; F321-L424 VanDerWaalsContact CZ-CD2 3.42Å
322	R	90.8	Very high	91	Very high	176 Å²	176	65.5 Å²	65.5	66%	0.664	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-40	-176.8	-175.8	176.3	179.6	161.3	0.2	115.2	T318 K319 S320 F324 P326 A329	T318-R322 PolarHBondContact O-N 3.45Å; K319-R322 VanDerWaalsContact O-CB 3.27Å; K319-R322 WeakPolarHBondContact O-CB 3.34Å; K319-R322 PolarHBondContact O-N 2.91Å; S320-R322 VanDerWaalsContact C-N 3.33Å; R322-F324 PolarHBondContact O-N 2.77Å; R322-P326 WeakPolarHBondContact O-CA 3.23Å; R322-A329 HydrophobicContact CB-CB 3.77Å; R322-A329 HydrophobicContact CG-CB 3.9Å
323	P	87.8	Confident	91.6	Very high	114 Å²	114	67.3 Å²	67.3	74%	0.74	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-25.1	-178.2	-22.5	34.8	0	0	0	113.9	S320	S320-P323 VanDerWaalsContact O-CD 3.24Å; S320-P323 WeakPolarHBondContact O-CD 3.12Å
324	F	86.5	Confident	92.2	Very high	32 Å²	32	66 Å²	66	14%	0.14	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123	-20.4	-173.3	51.2	-88	0	0	0	114.5	I314 S320 F321 R322 F419 L423 L424	I314-F324 HydrophobicContact CG2-CZ 4.27Å; S320-F324 WeakPolarHBondContact O-CE1 3.3Å; F321-F324 VanDerWaalsContact CA-CZ 3.48Å; F321-F324 HydrophobicContact CB-CE2 4Å; F321-F324 HydrophobicContact CB-CZ 3.96Å; F321-F324 HydrophobicContact CD1-CD2 4.36Å; F321-F324 AromaticContact CD1-CE2 3.38Å; F321-F324 HydrophobicContact CD1-CE2 3.38Å; F321-F324 AromaticContact CD1-CZ 3.85Å; F321-F324 HydrophobicContact CD1-CZ 3.85Å; F321-F324 HydrophobicContact CD2-CE2 4.19Å; F321-F324 AromaticContact CD2-CZ 3.77Å; F321-F324 HydrophobicContact CD2-CZ 3.77Å; F321-F324 AromaticContact CE1-CE2 3.81Å; F321-F324 HydrophobicContact CE1-CE2 3.81Å; F321-F324 HydrophobicContact CE1-CZ 4.27Å; F321-F324 HydrophobicContact CE2-CZ 4.18Å; F321-F324 AromaticContact CG-CE2 3.59Å; F321-F324 HydrophobicContact CG-CE2 3.59Å; F321-F324 AromaticContact CG-CZ 3.57Å; F321-F324 HydrophobicContact CG-CZ 3.57Å; F321-F324 HydrophobicContact CZ-CE2 4.37Å; F321-F324 HydrophobicContact CZ-CZ 4.43Å; F321-F324 PolarHBondContact O-N 3.2Å; F321-F324 VanDerWaalsContact O-N 3.11Å; R322-F324 PolarHBondContact O-N 2.77Å; F324-F419 VanDerWaalsContact O-CB 3.23Å; F324-F419 WeakPolarHBondContact O-CB 3.49Å; F324-L423 HydrophobicContact CB-CD1 3.31Å; F324-L423 HydrophobicContact CD1-CD1 4.33Å; F324-L423 HydrophobicContact CD2-CD1 4.38Å; F324-L423 HydrophobicContact CG-CD1 3.81Å; F324-L424 HydrophobicContact CE2-CD2 3.91Å; F324-L424 HydrophobicContact CZ-CD2 4.27Å
325	V	91.8	Very high	92.8	Very high	2 Å²	2	66.1 Å²	66.1	1%	0.012	32%	0.319	C	S	.	.			trans	-128	67.4	170.6	-158.8	0	0	0	0	110.1	F321 R327 L328 V416 F419	F321-V325 HydrophobicContact CD1-CG2 4.15Å; F321-V325 PolarHBondContact O-N 3.16Å; V325-R327 VanDerWaalsContact C-N 3.25Å; V325-R327 PolarHBondContact O-N 2.85Å; V325-R327 VanDerWaalsContact O-N 3.17Å; V325-L328 HydrophobicContact CB-CB 4Å; V325-L328 HydrophobicContact CB-CD2 4.39Å; V325-L328 HydrophobicContact CG1-CB 3.61Å; V325-L328 HydrophobicContact CG1-CD2 4.45Å; V325-L328 WeakPolarHBondContact O-CB 3.38Å; V325-L328 PolarHBondContact O-N 2.66Å; V325-V416 HydrophobicContact CG1-CB 3.97Å; V325-V416 HydrophobicContact CG1-CG2 3.5Å; V325-F419 HydrophobicContact CG1-CD1 4.03Å; V325-F419 HydrophobicContact CG1-CE1 4.45Å; V325-F419 HydrophobicContact CG2-CB 3.98Å; V325-F419 HydrophobicContact CG2-CD1 3.81Å; V325-F419 HydrophobicContact CG2-CD2 3.82Å; V325-F419 HydrophobicContact CG2-CE1 4.19Å; V325-F419 HydrophobicContact CG2-CE2 4.21Å; V325-F419 HydrophobicContact CG2-CG 3.6Å; V325-F419 HydrophobicContact CG2-CZ 4.38Å
326	P	91.1	Very high	93.1	Very high	84 Å²	84	67 Å²	67	55%	0.545	33%	0.329	S	S	.	.	H	α-helix	trans	-61.5	-31.2	-171.6	22.6	-33.6	0	0	0	113.6	R322 L328 A329 R330	R322-P326 WeakPolarHBondContact O-CA 3.23Å; P326-L328 VanDerWaalsContact C-N 3.34Å; P326-A329 PolarHBondContact O-N 3.44Å; P326-R330 PolarHBondContact O-N 2.96Å; P326-R330 VanDerWaalsContact O-N 3.15Å
327	R	94	Very high	93.2	Very high	133 Å²	133	67.1 Å²	67.1	50%	0.502	33%	0.329	S	S	.	.	H	α-helix	trans	-68.3	-32	177.8	-177.4	173.5	175.9	173	-0.2	112.5	V325 R330 L331 V416	V325-R327 VanDerWaalsContact C-N 3.25Å; V325-R327 PolarHBondContact O-N 2.85Å; V325-R327 VanDerWaalsContact O-N 3.17Å; R327-R330 PolarHBondContact O-N 3.46Å; R327-L331 HydrophobicContact CG-CD1 3.94Å; R327-L331 HydrophobicContact CG-CG 4.37Å; R327-L331 WeakPolarHBondContact O-CG 3.45Å; R327-L331 PolarHBondContact O-N 2.84Å; R327-V416 WeakPolarHBondContact CB-O 3.47Å
328	L	95.1	Very high	93.3	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-61.5	-50.5	174	177.2	68.4	0	0	0	110.4	T318 F321 V325 P326 R330 L331 Y332 L337 V368 V378 F379 V416	T318-L328 HydrophobicContact CG2-CD1 4.29Å; T318-L328 HydrophobicContact CG2-CD2 4.4Å; T318-L328 HydrophobicContact CG2-CG 4Å; F321-L328 HydrophobicContact CB-CD2 3.91Å; F321-L328 HydrophobicContact CD1-CD2 3.98Å; F321-L328 HydrophobicContact CG-CD2 4.23Å; V325-L328 HydrophobicContact CB-CB 4Å; V325-L328 HydrophobicContact CB-CD2 4.39Å; V325-L328 HydrophobicContact CG1-CB 3.61Å; V325-L328 HydrophobicContact CG1-CD2 4.45Å; V325-L328 WeakPolarHBondContact O-CB 3.38Å; V325-L328 PolarHBondContact O-N 2.66Å; P326-L328 VanDerWaalsContact C-N 3.34Å; L328-R330 VanDerWaalsContact C-N 3.25Å; L328-R330 PolarHBondContact O-N 2.74Å; L328-L331 PolarHBondContact O-N 3.19Å; L328-Y332 HydrophobicContact CD1-CD2 4.01Å; L328-Y332 PolarHBondContact O-N 2.86Å; L328-L337 HydrophobicContact CD1-CD2 4.46Å; L328-L337 HydrophobicContact CD2-CD1 4.06Å; L328-L337 HydrophobicContact CD2-CD2 4.25Å; L328-V368 HydrophobicContact CD1-CG2 3.72Å; L328-V378 HydrophobicContact CD1-CB 4.03Å; L328-V378 HydrophobicContact CD1-CG1 3.81Å; L328-V378 HydrophobicContact CD1-CG2 4.07Å; L328-F379 HydrophobicContact CD2-CE1 4.34Å; L328-V416 HydrophobicContact CB-CB 4.11Å; L328-V416 HydrophobicContact CB-CG1 4.04Å; L328-V416 HydrophobicContact CB-CG2 4.3Å; L328-V416 HydrophobicContact CD1-CG1 3.89Å
329	A	94.3	Very high	93.4	Very high	16 Å²	16	66.8 Å²	66.8	13%	0.132	33%	0.326	C	S	.	.	H	α-helix	trans	-63.5	-29.3	178.6	0	0	0	0	0	113.4	T318 R322 P326 P333	T318-A329 WeakPolarHBondContact O-CB 3.32Å; R322-A329 HydrophobicContact CB-CB 3.77Å; R322-A329 HydrophobicContact CG-CB 3.9Å; P326-A329 PolarHBondContact O-N 3.44Å; A329-P333 WeakPolarHBondContact O-CA 3.43Å
330	R	94.7	Very high	93.6	Very high	192 Å²	192	62.7 Å²	62.7	73%	0.725	31%	0.309	S	S	*	.	H	α-helix	trans	-74.9	-42.7	177.2	-166.6	-177.1	80	175.7	5.4	112.6	P326 R327 L328	P326-R330 PolarHBondContact O-N 2.96Å; P326-R330 VanDerWaalsContact O-N 3.15Å; R327-R330 PolarHBondContact O-N 3.46Å; L328-R330 VanDerWaalsContact C-N 3.25Å; L328-R330 PolarHBondContact O-N 2.74Å
331	L	95.6	Very high	93.7	Very high	81 Å²	81	61.6 Å²	61.6	42%	0.424	30%	0.302	S	S	.	.	H	α-helix	trans	-76.3	-32.7	-179	-68.8	173.9	0	0	0	111.9	R327 L328	R327-L331 HydrophobicContact CG-CD1 3.94Å; R327-L331 HydrophobicContact CG-CG 4.37Å; R327-L331 WeakPolarHBondContact O-CG 3.45Å; R327-L331 PolarHBondContact O-N 2.84Å; L328-L331 PolarHBondContact O-N 3.19Å
332	Y	95.8	Very high	93.9	Very high	43 Å²	43	63.6 Å²	63.6	17%	0.169	32%	0.316	C	S	.	.	S	Bend	trans	-132.3	75.1	-173.7	-55.6	-79.8	0	0	0	110.7	T318 L328 N334 M335 V368 L370 E376 V378	T318-Y332 WeakPolarHBondContact CB-O 3.18Å; T318-Y332 VanDerWaalsContact CG2-O 3.31Å; T318-Y332 WeakPolarHBondContact CG2-O 3.42Å; T318-Y332 PolarHBondContact OG1-O 2.78Å; L328-Y332 HydrophobicContact CD1-CD2 4.01Å; L328-Y332 PolarHBondContact O-N 2.86Å; Y332-N334 PolarHBondContact O-N 2.97Å; Y332-M335 HydrophobicContact CD1-SD 4.02Å; Y332-M335 HydrophobicContact CG-SD 4.38Å; Y332-V368 HydrophobicContact CD1-CB 4.31Å; Y332-V368 HydrophobicContact CD1-CG1 3.8Å; Y332-V368 HydrophobicContact CD1-CG2 4.4Å; Y332-V368 HydrophobicContact CD2-CG2 3.99Å; Y332-V368 HydrophobicContact CE2-CG2 4.5Å; Y332-V368 HydrophobicContact CG-CB 4.32Å; Y332-V368 HydrophobicContact CG-CG1 3.91Å; Y332-V368 HydrophobicContact CG-CG2 3.93Å; Y332-L370 HydrophobicContact CD1-CD2 4.02Å; Y332-L370 HydrophobicContact CE1-CD2 4.14Å; Y332-E376 HydrophobicContact CE1-CG 4.15Å; Y332-E376 WeakPolarHBondContact OH-CG 3.34Å; Y332-V378 HydrophobicContact CD2-CG1 4.36Å; Y332-V378 HydrophobicContact CE2-CG1 3.86Å
333	P	94.9	Very high	94.1	Very high	77 Å²	77	55.7 Å²	55.7	50%	0.5	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	131.4	-174.1	27.8	-34.1	0	0	0	112.3	A329 M335	A329-P333 WeakPolarHBondContact O-CA 3.43Å; P333-M335 PolarHBondContact O-N 3.24Å
334	N	93.8	Very high	94.4	Very high	134 Å²	134	53.5 Å²	53.5	72%	0.717	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	43.8	175.2	-56.5	-42.9	0	0	0	114.6	T318 Y332	T318-N334 PolarHBondContact OG1-N 3.46Å; Y332-N334 PolarHBondContact O-N 2.97Å
335	M	95.8	Very high	94.7	Very high	34 Å²	34	55.5 Å²	55.5	17%	0.167	29%	0.291	C	S	.	.			trans	-109.8	154.9	178.1	-63.3	-174.6	-179.6	0	0	111.2	T317 T318 Y332 P333 V368 L370 P371	T317-M335 WeakPolarHBondContact CA-O 3.41Å; T318-M335 HydrophobicContact CG2-CB 4.08Å; T318-M335 PolarHBondContact N-O 3.15Å; T318-M335 PolarHBondContact OG1-N 2.9Å; T318-M335 PolarHBondContact OG1-O 3.24Å; Y332-M335 HydrophobicContact CD1-SD 4.02Å; Y332-M335 HydrophobicContact CG-SD 4.38Å; P333-M335 PolarHBondContact O-N 3.24Å; M335-V368 HydrophobicContact CB-CG1 3.74Å; M335-V368 HydrophobicContact CG-CG1 4.23Å; M335-V368 HydrophobicContact SD-CG1 3.46Å; M335-V368 WeakPolarHBondContact SD-CG1 3.21Å; M335-L370 HydrophobicContact CE-CD2 4.2Å; M335-L370 HydrophobicContact SD-CD2 3.81Å; M335-P371 HydrophobicContact CE-CG 4.35Å
336	N	95.6	Very high	94.8	Very high	85 Å²	85	56.2 Å²	56.2	46%	0.455	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	151.7	173.5	-69.9	-10.6	0	0	0	110.6	L369	N336-L369 HydrophobicContact CB-CB 4.43Å; N336-L369 HydrophobicContact CB-CD1 4.07Å; N336-L369 PolarHBondContact O-N 2.74Å
337	L	95.4	Very high	94.9	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	147.7	173	-60.3	172.4	0	0	0	109.7	L316 T318 F321 L328 F367 V368	L316-L337 HydrophobicContact CB-CB 4.15Å; L316-L337 PolarHBondContact O-N 2.86Å; T318-L337 HydrophobicContact CG2-CD2 3.97Å; T318-L337 HydrophobicContact CG2-CG 4.36Å; F321-L337 HydrophobicContact CD1-CD1 3.83Å; F321-L337 HydrophobicContact CD2-CD1 3.69Å; F321-L337 HydrophobicContact CE1-CD1 3.85Å; F321-L337 HydrophobicContact CE2-CD1 3.73Å; F321-L337 HydrophobicContact CG-CD1 3.76Å; F321-L337 HydrophobicContact CZ-CD1 3.79Å; L328-L337 HydrophobicContact CD1-CD2 4.46Å; L328-L337 HydrophobicContact CD2-CD1 4.06Å; L328-L337 HydrophobicContact CD2-CD2 4.25Å; L337-F367 CarbonylContact C-O 3.52Å; L337-F367 VanDerWaalsContact CA-O 3.26Å; L337-F367 WeakPolarHBondContact CA-O 3.29Å; L337-V368 HydrophobicContact CD2-CB 4.42Å; L337-V368 HydrophobicContact CD2-CG2 3.57Å
338	E	95.9	Very high	94.9	Very high	18 Å²	18	51.3 Å²	51.3	8%	0.084	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133.6	168.2	-174.5	-174.1	141.2	0	0	108.2	I303 T304 Q340 F367 L369 K375	I303-E338 WeakPolarHBondContact O-CA 3.37Å; T304-E338 HydrophobicContact CG2-CG 4.02Å; E338-Q340 HydrophobicContact CG-CG 4.44Å; E338-Q340 WeakPolarHBondContact OE1-CG 3.34Å; E338-Q340 PolarHBondContact OE1-NE2 2.95Å; E338-F367 PolarHBondContact N-O 3.31Å; E338-F367 PolarHBondContact O-N 2.95Å; E338-L369 HydrophobicContact CB-CD1 4.41Å; E338-L369 HydrophobicContact CB-CD2 4.04Å; E338-L369 HydrophobicContact CB-CG 4.33Å; E338-K375 IonicContact OE1-NZ 2.96Å; E338-K375 PolarHBondContact OE1-NZ 3.12Å; E338-K375 WeakPolarHBondContact OE2-CE 3.01Å; E338-K375 IonicContact OE2-NZ 3.88Å; E338-K375 PolarHBondContact OE2-NZ 3.18Å
339	L	96.1	Very high	94.8	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127	172.2	-54.6	-178.8	0	0	0	108.3	S302 I303 L316 I364 D365 A366 L427 L428	S302-L339 CarbonylContact C-O 3.59Å; S302-L339 VanDerWaalsContact CA-O 3.28Å; S302-L339 WeakPolarHBondContact CA-O 3.41Å; I303-L339 HydrophobicContact CB-CB 4.09Å; I303-L339 HydrophobicContact CD1-CB 4.4Å; I303-L339 HydrophobicContact CD1-CD1 4.3Å; I303-L339 HydrophobicContact CG1-CB 4.32Å; I303-L339 PolarHBondContact N-O 3.43Å; I303-L339 PolarHBondContact O-N 3.4Å; L316-L339 HydrophobicContact CD1-CD1 4.45Å; L316-L339 HydrophobicContact CD1-CG 4.32Å; L316-L339 HydrophobicContact CD2-CD1 3.86Å; L316-L339 HydrophobicContact CD2-CG 4.05Å; L339-I364 HydrophobicContact CB-CG2 3.72Å; L339-I364 HydrophobicContact CD1-CG2 4.48Å; L339-I364 HydrophobicContact CD2-CG2 4.43Å; L339-I364 HydrophobicContact CG-CG2 4.43Å; L339-D365 CarbonylContact C-O 3.56Å; L339-D365 WeakPolarHBondContact CA-O 3.23Å; L339-A366 HydrophobicContact CD2-CB 3.48Å; L339-A366 VanDerWaalsContact CD2-CB 3.48Å; L339-L427 HydrophobicContact CD1-CD2 4.28Å; L339-L428 HydrophobicContact CD1-CD2 4.1Å
340	Q	96.6	Very high	94.8	Very high	65 Å²	65	55.4 Å²	55.4	30%	0.304	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	117	173	-68.2	175.8	15.6	0	0	109	F301 E338 I364 D365 F367	F301-Q340 CarbonylContact O-C 3.6Å; F301-Q340 WeakPolarHBondContact O-CA 3.48Å; E338-Q340 HydrophobicContact CG-CG 4.44Å; E338-Q340 WeakPolarHBondContact OE1-CG 3.34Å; E338-Q340 PolarHBondContact OE1-NE2 2.95Å; Q340-I364 CarbonylContact O-C 3.5Å; Q340-I364 WeakPolarHBondContact O-CA 3.07Å; Q340-D365 PolarHBondContact N-O 2.87Å; Q340-D365 PolarHBondContact O-N 2.83Å; Q340-F367 HydrophobicContact CB-CE2 4.07Å; Q340-F367 HydrophobicContact CG-CD2 4.28Å; Q340-F367 HydrophobicContact CG-CE2 4.11Å
341	G	95.2	Very high	94.8	Very high	4 Å²	4	46.3 Å²	46.3	4%	0.041	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	141.2	177.4	0	0	0	0	0	111.7	N300 F301 E363	N300-G341 WeakPolarHBondContact CA-O 3.18Å; F301-G341 PolarHBondContact N-O 2.9Å; F301-G341 PolarHBondContact O-N 2.94Å; G341-E363 CarbonylContact C-O 3.59Å; G341-E363 WeakPolarHBondContact CA-O 3.4Å
342	S	94.8	Very high	94.7	Very high	42 Å²	42	44.2 Å²	44.2	29%	0.294	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	160.6	167.9	62	0	0	0	0	110.4	N300 M362 E363	N300-S342 WeakPolarHBondContact OD1-CB 3.33Å; S342-M362 CarbonylContact O-C 3.54Å; S342-M362 WeakPolarHBondContact O-CA 3.32Å; S342-E363 PolarHBondContact N-O 3.02Å; S342-E363 PolarHBondContact O-N 2.93Å
343	V	94.8	Very high	94.5	Very high	11 Å²	11	47.1 Å²	47.1	7%	0.067	28%	0.278	C	S	.	.			trans	-107.6	113.4	173.2	173.1	0	0	0	0	107	H294 L299 S345 M362	H294-V343 PolarHBondContact CD2-O 3.37Å; H294-V343 PolarHBondContact NE2-O 3.25Å; L299-V343 HydrophobicContact CB-CB 3.98Å; L299-V343 HydrophobicContact CB-CG2 3.81Å; L299-V343 HydrophobicContact CD1-CB 4.13Å; L299-V343 HydrophobicContact CD1-CG1 4.1Å; L299-V343 HydrophobicContact CD1-CG2 4.26Å; V343-S345 VanDerWaalsContact C-N 3.26Å; V343-S345 WeakPolarHBondContact CG1-O 3.38Å; V343-S345 PolarHBondContact O-N 3.21Å; V343-M362 HydrophobicContact CG2-CG 3.75Å
344	P	94.1	Very high	94.3	Very high	67 Å²	67	46.3 Å²	46.3	44%	0.435	29%	0.285	S	S	.	.	S	Bend	trans	-65.3	-27.9	-176.2	-26.3	36	0	0	0	114.3	Y361 E363	P344-Y361 WeakPolarHBondContact CD-O 3.26Å; P344-Y361 HydrophobicContact CG-CD1 4.1Å; P344-Y361 HydrophobicContact CG-CE1 4.01Å; P344-E363 HydrophobicContact CG-CB 4.4Å; P344-E363 HydrophobicContact CG-CG 3.66Å
345	S	93.4	Very high	94.2	Very high	75 Å²	75	43.5 Å²	43.5	52%	0.524	27%	0.269	S	S	.	.	S	Bend	trans	-144	138.9	-178.6	59.2	0	0	0	0	111	V343	V343-S345 VanDerWaalsContact C-N 3.26Å; V343-S345 WeakPolarHBondContact CG1-O 3.38Å; V343-S345 PolarHBondContact O-N 3.21Å
346	A	93.7	Very high	94.1	Very high	17 Å²	17	42 Å²	42	14%	0.14	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-48.5	125	178.7	0	0	0	0	0	112.8	L291 H294 L348	L291-A346 HydrophobicContact CB-CB 4.48Å; L291-A346 HydrophobicContact CD1-CB 4.22Å; H294-A346 HydrophobicContact CB-CB 3.75Å; H294-A346 PolarHBondContact ND1-N 3.42Å; A346-L348 PolarHBondContact O-N 3.3Å
347	P	93.5	Very high	94	Very high	24 Å²	24	38.5 Å²	38.5	16%	0.156	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-76.3	117.1	-178.8	30.5	-35.3	0	0	0	111.4	S290 L299 V358 P360	S290-P347 WeakPolarHBondContact CB-O 3.41Å; S290-P347 WeakPolarHBondContact OG-CD 3.47Å; S290-P347 PolarHBondContact OG-O 2.96Å; L299-P347 VanDerWaalsContact CD1-CD 3.49Å; L299-P347 HydrophobicContact CD1-CG 3.99Å; P347-V358 HydrophobicContact CB-CG1 3.69Å; P347-V358 HydrophobicContact CG-CG1 4.46Å; P347-P360 HydrophobicContact CB-CB 4Å
348	L	93.7	Very high	93.9	Very high	89 Å²	89	39.5 Å²	39.5	47%	0.466	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-83	135.3	-177.6	-53.7	-178.1	0	0	0	111.9	N287 A346	N287-L348 HydrophobicContact CB-CD2 4.06Å; N287-L348 VanDerWaalsContact OD1-CA 3.3Å; N287-L348 WeakPolarHBondContact OD1-CA 3.34Å; A346-L348 PolarHBondContact O-N 3.3Å
349	L	93.8	Very high	93.8	Very high	20 Å²	20	43.1 Å²	43.1	11%	0.105	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	126.5	170.9	-175.7	64.3	0	0	0	109.6	F286 N287 F351 L356 V358 A389	F286-L349 HydrophobicContact CB-CB 4.4Å; F286-L349 HydrophobicContact CB-CD2 3.66Å; F286-L349 HydrophobicContact CD1-CD2 4.21Å; F286-L349 HydrophobicContact CD2-CD2 4.28Å; F286-L349 HydrophobicContact CG-CD2 3.8Å; N287-L349 PolarHBondContact ND2-O 3.29Å; N287-L349 PolarHBondContact OD1-N 3.41Å; N287-L349 PolarHBondContact OD1-O 3.45Å; L349-F351 HydrophobicContact CD2-CD2 4.36Å; L349-F351 HydrophobicContact CD2-CE2 3.42Å; L349-F351 VanDerWaalsContact CD2-CE2 3.42Å; L349-F351 HydrophobicContact CD2-CZ 3.96Å; L349-F351 HydrophobicContact CG-CD2 4.13Å; L349-F351 HydrophobicContact CG-CE2 3.66Å; L349-L356 HydrophobicContact CD1-CB 4.22Å; L349-V358 HydrophobicContact CB-CG2 4.25Å; L349-V358 HydrophobicContact CD1-CG2 3.35Å; L349-V358 HydrophobicContact CG-CG2 4.41Å; L349-A389 HydrophobicContact CD1-CB 4.33Å
350	N	94	Very high	93.6	Very high	83 Å²	83	44.1 Å²	44.1	44%	0.444	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	128.5	179.4	-173.7	9.5	0	0	0	110.8	S357	N350-S357 PolarHBondContact N-O 3.05Å; N350-S357 PolarHBondContact O-N 2.88Å; N350-S357 VanDerWaalsContact O-N 3.13Å
351	F	94.8	Very high	93.5	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	111.7	180	-81.6	-112.8	0	0	0	110.6	D283 F286 L349 L356 L391 I465 D468 L470	D283-F351 HydrophobicContact CB-CD2 3.35Å; D283-F351 HydrophobicContact CB-CE2 3.74Å; D283-F351 HydrophobicContact CB-CG 4.11Å; F286-F351 AromaticContact CD2-CE2 3.78Å; F286-F351 HydrophobicContact CD2-CE2 3.78Å; F286-F351 AromaticContact CD2-CZ 3.57Å; F286-F351 HydrophobicContact CD2-CZ 3.57Å; F286-F351 HydrophobicContact CE2-CE1 4.4Å; F286-F351 HydrophobicContact CE2-CE2 4.21Å; F286-F351 AromaticContact CE2-CZ 3.51Å; F286-F351 HydrophobicContact CE2-CZ 3.51Å; F286-F351 HydrophobicContact CG-CE2 4.46Å; F286-F351 HydrophobicContact CG-CZ 4.43Å; F286-F351 HydrophobicContact CZ-CZ 4.33Å; L349-F351 HydrophobicContact CD2-CD2 4.36Å; L349-F351 HydrophobicContact CD2-CE2 3.42Å; L349-F351 VanDerWaalsContact CD2-CE2 3.42Å; L349-F351 HydrophobicContact CD2-CZ 3.96Å; L349-F351 HydrophobicContact CG-CD2 4.13Å; L349-F351 HydrophobicContact CG-CE2 3.66Å; F351-L356 HydrophobicContact CB-CD2 4.28Å; F351-L356 HydrophobicContact CD1-CD2 3.33Å; F351-L356 HydrophobicContact CD2-CD2 3.79Å; F351-L356 HydrophobicContact CE1-CD2 3.39Å; F351-L356 HydrophobicContact CE2-CD2 3.89Å; F351-L356 HydrophobicContact CG-CD2 3.52Å; F351-L356 HydrophobicContact CZ-CD2 3.68Å; F351-L391 HydrophobicContact CZ-CD1 4.34Å; F351-I465 HydrophobicContact CD1-CG2 4.01Å; F351-D468 PolarHBondContact O-N 2.87Å; F351-L470 HydrophobicContact CE1-CB 3.89Å
352	S	92	Very high	93.4	Very high	36 Å²	36	46 Å²	46	25%	0.252	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	152.8	171.7	60.8	0	0	0	0	109.8	G354 N355 I465	S352-G354 PolarHBondContact O-N 2.85Å; S352-N355 CarbonylContact C-O 3.58Å; S352-N355 PolarHBondContact N-O 3.39Å; S352-N355 CarbonylContact O-C 3.5Å; S352-N355 PolarHBondContact O-N 3.11Å; S352-N355 WeakPolarHBondContact OG-CB 3.35Å; S352-N355 PolarHBondContact OG-O 2.89Å; S352-I465 WeakPolarHBondContact O-CG2 3.45Å
353	P	93.3	Very high	93.5	Very high	104 Å²	104	45.4 Å²	45.4	68%	0.675	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	115.5	-179.4	-29.4	36.3	0	0	0	112.5	N355 I465	P353-N355 VanDerWaalsContact C-N 3.28Å; P353-N355 PolarHBondContact O-N 2.95Å; P353-I465 WeakPolarHBondContact CA-O 3.47Å
354	G	90.6	Very high	93.6	Very high	61 Å²	61	45 Å²	45	63%	0.629	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	2.5	-178.9	0	0	0	0	0	116.8	S352 I465	S352-G354 PolarHBondContact O-N 2.85Å; G354-I465 PolarHBondContact N-O 3.33Å
355	N	90.8	Very high	93.7	Very high	75 Å²	75	43.5 Å²	43.5	40%	0.401	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	136.9	-176.2	179.7	41.2	0	0	0	112.9	S352 P353	S352-N355 CarbonylContact C-O 3.58Å; S352-N355 PolarHBondContact N-O 3.39Å; S352-N355 CarbonylContact O-C 3.5Å; S352-N355 PolarHBondContact O-N 3.11Å; S352-N355 WeakPolarHBondContact OG-CB 3.35Å; S352-N355 PolarHBondContact OG-O 2.89Å; P353-N355 VanDerWaalsContact C-N 3.28Å; P353-N355 PolarHBondContact O-N 2.95Å
356	L	93.8	Very high	93.9	Very high	1 Å²	1	40 Å²	40	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	133.1	175.5	-59.7	172.7	0	0	0	109.2	L349 F351 S388 A389 L391 I465	L349-L356 HydrophobicContact CD1-CB 4.22Å; F351-L356 HydrophobicContact CB-CD2 4.28Å; F351-L356 HydrophobicContact CD1-CD2 3.33Å; F351-L356 HydrophobicContact CD2-CD2 3.79Å; F351-L356 HydrophobicContact CE1-CD2 3.39Å; F351-L356 HydrophobicContact CE2-CD2 3.89Å; F351-L356 HydrophobicContact CG-CD2 3.52Å; F351-L356 HydrophobicContact CZ-CD2 3.68Å; L356-S388 WeakPolarHBondContact O-CA 3.34Å; L356-A389 HydrophobicContact CB-CB 3.95Å; L356-A389 WeakPolarHBondContact CB-O 3.17Å; L356-A389 PolarHBondContact O-N 3.35Å; L356-L391 HydrophobicContact CD1-CB 4.24Å; L356-L391 HydrophobicContact CD1-CD1 3.41Å; L356-L391 VanDerWaalsContact CD1-CD1 3.41Å; L356-L391 HydrophobicContact CD1-CD2 4.47Å; L356-L391 HydrophobicContact CD1-CG 3.39Å; L356-I465 HydrophobicContact CD1-CD1 4.02Å; L356-I465 HydrophobicContact CD1-CG1 4.37Å; L356-I465 HydrophobicContact CD2-CD1 4.5Å; L356-I465 HydrophobicContact CD2-CG1 4.44Å; L356-I465 HydrophobicContact CD2-CG2 3.58Å; L356-I465 HydrophobicContact CG-CD1 3.85Å; L356-I465 HydrophobicContact CG-CG1 4.28Å; L356-I465 HydrophobicContact CG-CG2 4.1Å
357	S	93.9	Very high	94.1	Very high	13 Å²	13	40.5 Å²	40.5	9%	0.091	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	147.1	-178.9	61.3	0	0	0	0	112.4	N350 V387	N350-S357 PolarHBondContact N-O 3.05Å; N350-S357 PolarHBondContact O-N 2.88Å; N350-S357 VanDerWaalsContact O-N 3.13Å; S357-V387 CarbonylContact C-O 3.51Å; S357-V387 VanDerWaalsContact CA-O 3.26Å; S357-V387 WeakPolarHBondContact CA-O 3.43Å
358	V	93.6	Very high	94.3	Very high	22 Å²	22	39.4 Å²	39.4	13%	0.133	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	135.5	172.9	-170.9	0	0	0	0	107.1	P347 L349 P360 V387	P347-V358 HydrophobicContact CB-CG1 3.69Å; P347-V358 HydrophobicContact CG-CG1 4.46Å; L349-V358 HydrophobicContact CB-CG2 4.25Å; L349-V358 HydrophobicContact CD1-CG2 3.35Å; L349-V358 HydrophobicContact CG-CG2 4.41Å; V358-P360 VanDerWaalsContact C-CD 3.45Å; V358-P360 VanDerWaalsContact O-CD 3.27Å; V358-P360 WeakPolarHBondContact O-CD 3.26Å; V358-V387 HydrophobicContact CB-CB 4.47Å; V358-V387 PolarHBondContact N-O 3.48Å; V358-V387 PolarHBondContact O-N 2.89Å
359	N	92.4	Very high	94.4	Very high	94 Å²	94	37.6 Å²	37.6	50%	0.503	22%	0.218	S	C	.	.			trans	-116.9	75.1	177.3	-62	-55.5	0	0	0	109.8	T385 N386	N359-T385 WeakPolarHBondContact CA-O 3.4Å; N359-N386 WeakPolarHBondContact OD1-CA 3.34Å; N359-N386 WeakPolarHBondContact OD1-CB 3.49Å; N359-N386 VanDerWaalsContact OD1-CG 3.27Å; N359-N386 PolarHBondContact OD1-ND2 2.87Å
360	P	92.6	Very high	94.4	Very high	22 Å²	22	38.7 Å²	38.7	14%	0.143	22%	0.223	C	C	.	.			trans	-68.4	139	179.6	29.6	-33.3	0	0	0	110.7	P347 V358 T385 V387	P347-P360 HydrophobicContact CB-CB 4Å; V358-P360 VanDerWaalsContact C-CD 3.45Å; V358-P360 VanDerWaalsContact O-CD 3.27Å; V358-P360 WeakPolarHBondContact O-CD 3.26Å; P360-T385 WeakPolarHBondContact CD-O 3.44Å; P360-T385 HydrophobicContact CG-CG2 3.54Å; P360-T385 PolarHBondContact O-N 2.96Å; P360-V387 HydrophobicContact CG-CG2 3.97Å
361	Y	93.9	Very high	94.3	Very high	93 Å²	93	40.4 Å²	40.4	37%	0.365	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	122.5	172.5	173.9	-94.1	0	0	0	108.3	P344 E363 T382	P344-Y361 WeakPolarHBondContact CD-O 3.26Å; P344-Y361 HydrophobicContact CG-CD1 4.1Å; P344-Y361 HydrophobicContact CG-CE1 4.01Å; Y361-E363 HydrophobicContact CE1-CG 3.77Å; Y361-E363 WeakPolarHBondContact CE1-OE1 3.27Å; Y361-E363 PolarHBondContact OH-OE1 2.86Å; Y361-E363 VanDerWaalsContact OH-OE1 3.06Å; Y361-T382 HydrophobicContact CE2-CG2 4.11Å; Y361-T382 WeakPolarHBondContact OH-CG2 3.45Å
362	M	94.6	Very high	94.1	Very high	16 Å²	16	44.6 Å²	44.6	8%	0.079	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	145.4	-176.5	-63.6	170.2	-73.3	0	0	110.2	F301 S342 V343 T382 V383 T385 I432	F301-M362 HydrophobicContact CE1-SD 3.88Å; F301-M362 HydrophobicContact CZ-SD 4.11Å; S342-M362 CarbonylContact O-C 3.54Å; S342-M362 WeakPolarHBondContact O-CA 3.32Å; V343-M362 HydrophobicContact CG2-CG 3.75Å; M362-T382 WeakPolarHBondContact O-CA 3.29Å; M362-V383 HydrophobicContact CB-CB 4.25Å; M362-V383 HydrophobicContact CE-CB 3.99Å; M362-V383 HydrophobicContact CE-CG1 3.65Å; M362-V383 PolarHBondContact N-O 3.26Å; M362-V383 PolarHBondContact O-N 3.33Å; M362-T385 HydrophobicContact CE-CG2 4.39Å; M362-I432 HydrophobicContact CE-CD1 4.36Å
363	E	96.4	Very high	93.8	Very high	30 Å²	30	48.1 Å²	48.1	14%	0.14	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130.9	168	-60.4	-162.7	171.9	0	0	109.1	G341 S342 P344 Y361 L381 T382 K412	G341-E363 CarbonylContact C-O 3.59Å; G341-E363 WeakPolarHBondContact CA-O 3.4Å; S342-E363 PolarHBondContact N-O 3.02Å; S342-E363 PolarHBondContact O-N 2.93Å; P344-E363 HydrophobicContact CG-CB 4.4Å; P344-E363 HydrophobicContact CG-CG 3.66Å; Y361-E363 HydrophobicContact CE1-CG 3.77Å; Y361-E363 WeakPolarHBondContact CE1-OE1 3.27Å; Y361-E363 PolarHBondContact OH-OE1 2.86Å; Y361-E363 VanDerWaalsContact OH-OE1 3.06Å; E363-L381 WeakPolarHBondContact CA-O 3.35Å; E363-T382 HydrophobicContact CG-CG2 4.35Å; E363-K412 IonicContact OE1-NZ 3.23Å; E363-K412 PolarHBondContact OE1-NZ 3.38Å; E363-K412 IonicContact OE2-NZ 3.85Å; E363-K412 PolarHBondContact OE2-NZ 2.85Å
364	I	96.8	Very high	93.8	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.015	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	112.1	-177.7	-55.6	-179	0	0	0	108.9	F301 L339 Q340 R380 L381 V383 L428	F301-I364 HydrophobicContact CE2-CD1 4.37Å; F301-I364 HydrophobicContact CZ-CD1 4.18Å; F301-I364 HydrophobicContact CZ-CG1 4.28Å; L339-I364 HydrophobicContact CB-CG2 3.72Å; L339-I364 HydrophobicContact CD1-CG2 4.48Å; L339-I364 HydrophobicContact CD2-CG2 4.43Å; L339-I364 HydrophobicContact CG-CG2 4.43Å; Q340-I364 CarbonylContact O-C 3.5Å; Q340-I364 WeakPolarHBondContact O-CA 3.07Å; I364-R380 CarbonylContact O-C 3.59Å; I364-R380 WeakPolarHBondContact O-CA 3.5Å; I364-L381 HydrophobicContact CB-CB 4.32Å; I364-L381 PolarHBondContact N-O 2.8Å; I364-L381 PolarHBondContact O-N 2.96Å; I364-V383 HydrophobicContact CD1-CG2 3.55Å; I364-V383 HydrophobicContact CG1-CG2 4.14Å; I364-L428 HydrophobicContact CD1-CD1 4.17Å; I364-L428 HydrophobicContact CD1-CD2 3.65Å
365	D	97.1	Very high	94.1	Very high	35 Å²	35	47.3 Å²	47.3	19%	0.187	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	125.5	173.3	-78.5	-47.2	0	0	0	110.3	L339 Q340 F367 R380	L339-D365 CarbonylContact C-O 3.56Å; L339-D365 WeakPolarHBondContact CA-O 3.23Å; Q340-D365 PolarHBondContact N-O 2.87Å; Q340-D365 PolarHBondContact O-N 2.83Å; D365-F367 HydrophobicContact CB-CD2 4.36Å; D365-F367 HydrophobicContact CB-CE2 3.47Å; D365-F367 VanDerWaalsContact CB-CE2 3.47Å; D365-F367 HydrophobicContact CB-CZ 3.82Å; D365-R380 IonicContact OD1-CZ 2.8Å; D365-R380 VanDerWaalsContact OD1-CZ 3.24Å; D365-R380 IonicContact OD1-NE 3.37Å; D365-R380 PolarHBondContact OD1-NE 2.86Å; D365-R380 IonicContact OD1-NH2 3.75Å; D365-R380 PolarHBondContact OD1-NH2 2.77Å; D365-R380 IonicContact OD2-CZ 3.96Å; D365-R380 IonicContact OD2-NE 3.95Å; D365-R380 IonicContact OD2-NH2 2.66Å; D365-R380 PolarHBondContact OD2-NH2 3.18Å; D365-R380 VanDerWaalsContact OD2-NH2 3.16Å
366	A	96.7	Very high	94.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	130.8	175.3	0	0	0	0	0	111	L339 V378 F379	L339-A366 HydrophobicContact CD2-CB 3.48Å; L339-A366 VanDerWaalsContact CD2-CB 3.48Å; A366-V378 HydrophobicContact CB-CG2 4.02Å; A366-V378 WeakPolarHBondContact O-CG2 3.33Å; A366-V378 PolarHBondContact O-N 3.17Å; A366-F379 HydrophobicContact CB-CD1 3.92Å; A366-F379 HydrophobicContact CB-CD2 3.52Å; A366-F379 HydrophobicContact CB-CE1 3.61Å; A366-F379 HydrophobicContact CB-CE2 3.19Å; A366-F379 HydrophobicContact CB-CG 3.87Å; A366-F379 HydrophobicContact CB-CZ 3.22Å; A366-F379 WeakPolarHBondContact CB-O 2.95Å; A366-F379 PolarHBondContact N-O 2.85Å
367	F	97.8	Very high	94.5	Very high	29 Å²	29	49 Å²	49	13%	0.127	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142.1	179.9	-61.8	-88.6	0	0	0	111	L337 E338 Q340 D365 K375 E376 P377	L337-F367 CarbonylContact C-O 3.52Å; L337-F367 VanDerWaalsContact CA-O 3.26Å; L337-F367 WeakPolarHBondContact CA-O 3.29Å; E338-F367 PolarHBondContact N-O 3.31Å; E338-F367 PolarHBondContact O-N 2.95Å; Q340-F367 HydrophobicContact CB-CE2 4.07Å; Q340-F367 HydrophobicContact CG-CD2 4.28Å; Q340-F367 HydrophobicContact CG-CE2 4.11Å; D365-F367 HydrophobicContact CB-CD2 4.36Å; D365-F367 HydrophobicContact CB-CE2 3.47Å; D365-F367 VanDerWaalsContact CB-CE2 3.47Å; D365-F367 HydrophobicContact CB-CZ 3.82Å; F367-K375 HydrophobicContact CB-CB 4.01Å; F367-K375 HydrophobicContact CD1-CB 3.72Å; F367-K375 HydrophobicContact CE1-CB 4.49Å; F367-K375 HydrophobicContact CG-CB 4.04Å; F367-K375 HydrophobicContact CG-CD 4.5Å; F367-E376 CarbonylContact C-O 3.59Å; F367-E376 WeakPolarHBondContact CA-O 3.49Å; F367-P377 HydrophobicContact CD1-CB 3.91Å; F367-P377 HydrophobicContact CE1-CB 3.69Å; F367-P377 HydrophobicContact CE1-CG 4.24Å
368	V	97.4	Very high	94.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	132.5	161.8	172.7	0	0	0	0	108.7	T318 L328 Y332 M335 L337 L370 E376 V378	T318-V368 HydrophobicContact CG2-CG2 4.25Å; L328-V368 HydrophobicContact CD1-CG2 3.72Å; Y332-V368 HydrophobicContact CD1-CB 4.31Å; Y332-V368 HydrophobicContact CD1-CG1 3.8Å; Y332-V368 HydrophobicContact CD1-CG2 4.4Å; Y332-V368 HydrophobicContact CD2-CG2 3.99Å; Y332-V368 HydrophobicContact CE2-CG2 4.5Å; Y332-V368 HydrophobicContact CG-CB 4.32Å; Y332-V368 HydrophobicContact CG-CG1 3.91Å; Y332-V368 HydrophobicContact CG-CG2 3.93Å; M335-V368 HydrophobicContact CB-CG1 3.74Å; M335-V368 HydrophobicContact CG-CG1 4.23Å; M335-V368 HydrophobicContact SD-CG1 3.46Å; M335-V368 WeakPolarHBondContact SD-CG1 3.21Å; L337-V368 HydrophobicContact CD2-CB 4.42Å; L337-V368 HydrophobicContact CD2-CG2 3.57Å; V368-L370 HydrophobicContact CG1-CD2 4.22Å; V368-L370 PolarHBondContact O-N 3.02Å; V368-E376 PolarHBondContact N-O 3.32Å; V368-E376 PolarHBondContact O-N 3.05Å; V368-V378 HydrophobicContact CB-CG1 4.35Å; V368-V378 HydrophobicContact CG2-CG1 3.54Å; V368-V378 HydrophobicContact CG2-CG2 4.2Å
369	L	96.3	Very high	94.8	Very high	52 Å²	52	47.8 Å²	47.8	27%	0.272	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	107.2	173.5	-56.9	-176.6	0	0	0	109.5	N336 E338 K375	N336-L369 HydrophobicContact CB-CB 4.43Å; N336-L369 HydrophobicContact CB-CD1 4.07Å; N336-L369 PolarHBondContact O-N 2.74Å; E338-L369 HydrophobicContact CB-CD1 4.41Å; E338-L369 HydrophobicContact CB-CD2 4.04Å; E338-L369 HydrophobicContact CB-CG 4.33Å; L369-K375 HydrophobicContact CD2-CD 4.32Å; L369-K375 HydrophobicContact CD2-CG 3.9Å
370	L	94.8	Very high	95	Very high	42 Å²	42	46.3 Å²	46.3	22%	0.22	26%	0.257	C	S	.	.			trans	-76.3	157.6	179.3	-62.6	177.2	0	0	0	111.1	Y332 M335 V368 S372 S373 S374 E376	Y332-L370 HydrophobicContact CD1-CD2 4.02Å; Y332-L370 HydrophobicContact CE1-CD2 4.14Å; M335-L370 HydrophobicContact CE-CD2 4.2Å; M335-L370 HydrophobicContact SD-CD2 3.81Å; V368-L370 HydrophobicContact CG1-CD2 4.22Å; V368-L370 PolarHBondContact O-N 3.02Å; L370-S372 PolarHBondContact O-N 2.86Å; L370-S372 VanDerWaalsContact O-N 3.08Å; L370-S373 WeakPolarHBondContact O-CA 3.46Å; L370-S373 PolarHBondContact O-N 2.82Å; L370-S374 WeakPolarHBondContact CB-O 3.48Å; L370-S374 WeakPolarHBondContact CD1-OG 3.14Å; L370-S374 PolarHBondContact N-O 2.89Å; L370-E376 HydrophobicContact CD1-CB 4.17Å; L370-E376 HydrophobicContact CG-CB 4.37Å
371	P	91	Very high	95.1	Very high	119 Å²	119	45.3 Å²	45.3	77%	0.773	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-25.6	176.9	-25.7	35	0	0	0	114.2	M335 S373	M335-P371 HydrophobicContact CE-CG 4.35Å; P371-S373 PolarHBondContact O-N 2.9Å
372	S	90.5	Very high	95.2	Very high	89 Å²	89	41.5 Å²	41.5	62%	0.622	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	2.5	172.6	45.9	0	0	0	0	114.2	L370 S374	L370-S372 PolarHBondContact O-N 2.86Å; L370-S372 VanDerWaalsContact O-N 3.08Å; S372-S374 PolarHBondContact O-N 2.76Å; S372-S374 PolarHBondContact OG-OG 2.83Å
373	S	85.6	Confident	95.2	Very high	110 Å²	110	40.8 Å²	40.8	77%	0.769	23%	0.233	S	C	*	.	S	Bend	trans	63.5	10.2	-171.1	-52.7	0	0	0	0	115	L370 P371	L370-S373 WeakPolarHBondContact O-CA 3.46Å; L370-S373 PolarHBondContact O-N 2.82Å; P371-S373 PolarHBondContact O-N 2.9Å
374	S	93.9	Very high	95	Very high	53 Å²	53	41.5 Å²	41.5	37%	0.371	24%	0.244	S	C	.	.			trans	-83.2	146.9	172.9	55.1	0	0	0	0	111.3	L370 S372	L370-S374 WeakPolarHBondContact CB-O 3.48Å; L370-S374 WeakPolarHBondContact CD1-OG 3.14Å; L370-S374 PolarHBondContact N-O 2.89Å; S372-S374 PolarHBondContact O-N 2.76Å; S372-S374 PolarHBondContact OG-OG 2.83Å
375	K	96.4	Very high	94.6	Very high	95 Å²	95	41.8 Å²	41.8	41%	0.413	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	123.2	179.3	-56.7	-169.7	-171.4	-171.3	0	110.1	E338 F367 L369	E338-K375 IonicContact OE1-NZ 2.96Å; E338-K375 PolarHBondContact OE1-NZ 3.12Å; E338-K375 WeakPolarHBondContact OE2-CE 3.01Å; E338-K375 IonicContact OE2-NZ 3.88Å; E338-K375 PolarHBondContact OE2-NZ 3.18Å; F367-K375 HydrophobicContact CB-CB 4.01Å; F367-K375 HydrophobicContact CD1-CB 3.72Å; F367-K375 HydrophobicContact CE1-CB 4.49Å; F367-K375 HydrophobicContact CG-CB 4.04Å; F367-K375 HydrophobicContact CG-CD 4.5Å; L369-K375 HydrophobicContact CD2-CD 4.32Å; L369-K375 HydrophobicContact CD2-CG 3.9Å
376	E	96.8	Very high	94.3	Very high	62 Å²	62	44.3 Å²	44.3	29%	0.29	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	116.5	174.9	-178.5	57.7	-140.9	0	0	110	Y332 F367 V368 L370 V378 K415	Y332-E376 HydrophobicContact CE1-CG 4.15Å; Y332-E376 WeakPolarHBondContact OH-CG 3.34Å; F367-E376 CarbonylContact C-O 3.59Å; F367-E376 WeakPolarHBondContact CA-O 3.49Å; V368-E376 PolarHBondContact N-O 3.32Å; V368-E376 PolarHBondContact O-N 3.05Å; L370-E376 HydrophobicContact CD1-CB 4.17Å; L370-E376 HydrophobicContact CG-CB 4.37Å; E376-V378 PolarHBondContact O-N 3.38Å; E376-K415 IonicContact OE1-NZ 2.79Å; E376-K415 PolarHBondContact OE1-NZ 2.89Å
377	P	96.9	Very high	94.1	Very high	49 Å²	49	44.5 Å²	44.5	32%	0.318	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	129.4	-178.2	23.2	-27.7	0	0	0	111.2	F367 K415	F367-P377 HydrophobicContact CD1-CB 3.91Å; F367-P377 HydrophobicContact CE1-CB 3.69Å; F367-P377 HydrophobicContact CE1-CG 4.24Å; P377-K415 WeakPolarHBondContact O-CD 3.35Å; P377-K415 WeakPolarHBondContact O-CE 3.35Å; P377-K415 PolarHBondContact O-NZ 2.88Å
378	V	97	Very high	93.9	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.012	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	-38.3	-173.1	-73.4	0	0	0	0	114.4	L328 Y332 A366 V368 E376 K415 V416	L328-V378 HydrophobicContact CD1-CB 4.03Å; L328-V378 HydrophobicContact CD1-CG1 3.81Å; L328-V378 HydrophobicContact CD1-CG2 4.07Å; Y332-V378 HydrophobicContact CD2-CG1 4.36Å; Y332-V378 HydrophobicContact CE2-CG1 3.86Å; A366-V378 HydrophobicContact CB-CG2 4.02Å; A366-V378 WeakPolarHBondContact O-CG2 3.33Å; A366-V378 PolarHBondContact O-N 3.17Å; V368-V378 HydrophobicContact CB-CG1 4.35Å; V368-V378 HydrophobicContact CG2-CG1 3.54Å; V368-V378 HydrophobicContact CG2-CG2 4.2Å; E376-V378 PolarHBondContact O-N 3.38Å; V378-K415 PolarHBondContact O-N 3.38Å; V378-V416 HydrophobicContact CB-CG1 4.14Å; V378-V416 HydrophobicContact CG1-CG1 4.25Å
379	F	95.9	Very high	93.7	Very high	8 Å²	8	45.2 Å²	45.2	4%	0.035	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	161.2	175.7	58.6	-95.7	0	0	0	110.8	F321 L328 A366 L381 L411 E413 V416 F419 L424	F321-F379 HydrophobicContact CE1-CE1 4.37Å; F321-F379 AromaticContact CE1-CZ 3.89Å; F321-F379 HydrophobicContact CE1-CZ 3.89Å; L328-F379 HydrophobicContact CD2-CE1 4.34Å; A366-F379 HydrophobicContact CB-CD1 3.92Å; A366-F379 HydrophobicContact CB-CD2 3.52Å; A366-F379 HydrophobicContact CB-CE1 3.61Å; A366-F379 HydrophobicContact CB-CE2 3.19Å; A366-F379 HydrophobicContact CB-CG 3.87Å; A366-F379 HydrophobicContact CB-CZ 3.22Å; A366-F379 WeakPolarHBondContact CB-O 2.95Å; A366-F379 PolarHBondContact N-O 2.85Å; F379-L381 HydrophobicContact CD2-CD2 4.01Å; F379-L381 HydrophobicContact CD2-CG 4.03Å; F379-L381 HydrophobicContact CE2-CD1 4.1Å; F379-L381 HydrophobicContact CE2-CD2 4.23Å; F379-L381 HydrophobicContact CE2-CG 4.04Å; F379-L411 HydrophobicContact CB-CD1 4.13Å; F379-E413 CarbonylContact C-O 3.5Å; F379-E413 VanDerWaalsContact CA-O 3.25Å; F379-E413 WeakPolarHBondContact CA-O 3.49Å; F379-E413 WeakPolarHBondContact CB-O 3.32Å; F379-V416 HydrophobicContact CD1-CG2 4Å; F379-F419 HydrophobicContact CB-CE1 4.16Å; F379-F419 HydrophobicContact CB-CZ 4.42Å; F379-F419 HydrophobicContact CD1-CE1 4.13Å; F379-F419 HydrophobicContact CD1-CZ 4.16Å; F379-F419 HydrophobicContact CD2-CE1 4.31Å; F379-F419 AromaticContact CD2-CZ 3.76Å; F379-F419 HydrophobicContact CD2-CZ 3.76Å; F379-F419 HydrophobicContact CE1-CZ 4.38Å; F379-F419 AromaticContact CE2-CZ 3.98Å; F379-F419 HydrophobicContact CE2-CZ 3.98Å; F379-F419 AromaticContact CG-CE1 3.95Å; F379-F419 HydrophobicContact CG-CE1 3.95Å; F379-F419 AromaticContact CG-CZ 3.86Å; F379-F419 HydrophobicContact CG-CZ 3.86Å; F379-F419 HydrophobicContact CZ-CZ 4.29Å; F379-L424 HydrophobicContact CE2-CD1 4.14Å; F379-L424 HydrophobicContact CZ-CD1 4.35Å
380	R	96.6	Very high	93.4	Very high	64 Å²	64	46 Å²	46	24%	0.242	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.3	177.5	180	175.5	-70.9	152.6	-8.2	109.8	I364 D365 K412 E413	I364-R380 CarbonylContact O-C 3.59Å; I364-R380 WeakPolarHBondContact O-CA 3.5Å; D365-R380 IonicContact OD1-CZ 2.8Å; D365-R380 VanDerWaalsContact OD1-CZ 3.24Å; D365-R380 IonicContact OD1-NE 3.37Å; D365-R380 PolarHBondContact OD1-NE 2.86Å; D365-R380 IonicContact OD1-NH2 3.75Å; D365-R380 PolarHBondContact OD1-NH2 2.77Å; D365-R380 IonicContact OD2-CZ 3.96Å; D365-R380 IonicContact OD2-NE 3.95Å; D365-R380 IonicContact OD2-NH2 2.66Å; D365-R380 PolarHBondContact OD2-NH2 3.18Å; D365-R380 VanDerWaalsContact OD2-NH2 3.16Å; R380-K412 HydrophobicContact CG-CB 4.27Å; R380-K412 HydrophobicContact CG-CD 4.23Å; R380-K412 PolarHBondContact O-N 2.9Å; R380-E413 HydrophobicContact CB-CB 4.23Å; R380-E413 PolarHBondContact N-O 2.96Å; R380-E413 IonicContact NH1-OE1 3.05Å; R380-E413 PolarHBondContact NH1-OE1 2.83Å; R380-E413 IonicContact NH1-OE2 2.95Å; R380-E413 PolarHBondContact O-N 3.42Å
381	L	95.8	Very high	93.2	Very high	0 Å²	0	45 Å²	45	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	153.1	174.7	-52.9	175.1	0	0	0	110.2	E363 I364 F379 V409 E410 L411 F419 A421 L424 L428	E363-L381 WeakPolarHBondContact CA-O 3.35Å; I364-L381 HydrophobicContact CB-CB 4.32Å; I364-L381 PolarHBondContact N-O 2.8Å; I364-L381 PolarHBondContact O-N 2.96Å; F379-L381 HydrophobicContact CD2-CD2 4.01Å; F379-L381 HydrophobicContact CD2-CG 4.03Å; F379-L381 HydrophobicContact CE2-CD1 4.1Å; F379-L381 HydrophobicContact CE2-CD2 4.23Å; F379-L381 HydrophobicContact CE2-CG 4.04Å; L381-V409 HydrophobicContact CB-CG1 4.29Å; L381-V409 HydrophobicContact CD1-CG1 4.05Å; L381-V409 HydrophobicContact CD2-CG1 4.48Å; L381-E410 CarbonylContact C-O 3.59Å; L381-E410 VanDerWaalsContact CA-O 3.25Å; L381-E410 WeakPolarHBondContact CA-O 3.46Å; L381-L411 HydrophobicContact CD2-CD1 3.75Å; L381-F419 HydrophobicContact CD2-CZ 4.29Å; L381-A421 HydrophobicContact CD2-CB 4.11Å; L381-L424 HydrophobicContact CD1-CD1 3.74Å; L381-L428 HydrophobicContact CD1-CD1 4.08Å
382	T	95.4	Very high	93	Very high	14 Å²	14	42.7 Å²	42.7	9%	0.086	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	139.2	165.5	48.2	0	0	0	0	108.7	Y361 M362 E363 V409 E410 K412	Y361-T382 HydrophobicContact CE2-CG2 4.11Å; Y361-T382 WeakPolarHBondContact OH-CG2 3.45Å; M362-T382 WeakPolarHBondContact O-CA 3.29Å; E363-T382 HydrophobicContact CG-CG2 4.35Å; T382-V409 WeakPolarHBondContact O-CA 3.42Å; T382-E410 PolarHBondContact N-O 2.79Å; T382-E410 PolarHBondContact O-N 3.38Å; T382-E410 WeakPolarHBondContact OG1-CB 3.4Å; T382-E410 PolarHBondContact OG1-O 2.83Å; T382-K412 HydrophobicContact CG2-CB 3.88Å; T382-K412 HydrophobicContact CG2-CD 3.62Å; T382-K412 HydrophobicContact CG2-CG 4.26Å
383	V	93.8	Very high	92.8	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	121.4	179.8	-174.5	0	0	0	0	108.7	M362 I364 V407 K408 V409 L428 I432	M362-V383 HydrophobicContact CB-CB 4.25Å; M362-V383 HydrophobicContact CE-CB 3.99Å; M362-V383 HydrophobicContact CE-CG1 3.65Å; M362-V383 PolarHBondContact N-O 3.26Å; M362-V383 PolarHBondContact O-N 3.33Å; I364-V383 HydrophobicContact CD1-CG2 3.55Å; I364-V383 HydrophobicContact CG1-CG2 4.14Å; V383-V407 HydrophobicContact CG1-CG1 3.43Å; V383-V407 VanDerWaalsContact CG1-CG1 3.43Å; V383-K408 WeakPolarHBondContact CA-O 3.46Å; V383-V409 HydrophobicContact CG1-CG2 4.4Å; V383-V409 HydrophobicContact CG2-CG1 4.43Å; V383-V409 HydrophobicContact CG2-CG2 4.15Å; V383-L428 HydrophobicContact CG2-CD1 4.13Å; V383-I432 HydrophobicContact CG1-CD1 4.39Å
384	A	92	Very high	92.5	Very high	45 Å²	45	39.3 Å²	39.3	37%	0.372	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	134.3	173.6	0	0	0	0	0	109.2	K408	A384-K408 PolarHBondContact N-O 3.09Å; A384-K408 PolarHBondContact O-N 2.91Å
385	T	89.8	Confident	91.6	Very high	9 Å²	9	41.3 Å²	41.3	6%	0.055	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	151.1	173.4	-174	0	0	0	0	110.2	N359 P360 M362 V387 K406	N359-T385 WeakPolarHBondContact CA-O 3.4Å; P360-T385 WeakPolarHBondContact CD-O 3.44Å; P360-T385 HydrophobicContact CG-CG2 3.54Å; P360-T385 PolarHBondContact O-N 2.96Å; M362-T385 HydrophobicContact CE-CG2 4.39Å; T385-V387 HydrophobicContact CG2-CG2 3.78Å; T385-K406 WeakPolarHBondContact CA-O 3.32Å; T385-K406 PolarHBondContact OG1-O 3.47Å; T385-K406 VanDerWaalsContact OG1-O 3.08Å
386	N	90.4	Very high	90.8	Very high	88 Å²	88	39.1 Å²	39.1	47%	0.471	22%	0.224	S	C	.	.			trans	-105.2	125.7	168.7	-179.4	-54.8	0	0	0	106.7	N359 G405	N359-N386 WeakPolarHBondContact OD1-CA 3.34Å; N359-N386 WeakPolarHBondContact OD1-CB 3.49Å; N359-N386 VanDerWaalsContact OD1-CG 3.27Å; N359-N386 PolarHBondContact OD1-ND2 2.87Å; N386-G405 WeakPolarHBondContact O-CA 3.36Å; N386-G405 PolarHBondContact O-N 2.91Å
387	V	92.7	Very high	90.5	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.024	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	126.5	-174.9	-172.4	0	0	0	0	107.5	S357 V358 P360 T385 L402 Q403 Y437	S357-V387 CarbonylContact C-O 3.51Å; S357-V387 VanDerWaalsContact CA-O 3.26Å; S357-V387 WeakPolarHBondContact CA-O 3.43Å; V358-V387 HydrophobicContact CB-CB 4.47Å; V358-V387 PolarHBondContact N-O 3.48Å; V358-V387 PolarHBondContact O-N 2.89Å; P360-V387 HydrophobicContact CG-CG2 3.97Å; T385-V387 HydrophobicContact CG2-CG2 3.78Å; V387-L402 HydrophobicContact CG1-CB 3.89Å; V387-L402 HydrophobicContact CG1-CD1 4.4Å; V387-L402 HydrophobicContact CG1-CD2 4.03Å; V387-L402 HydrophobicContact CG1-CG 4.31Å; V387-Q403 WeakPolarHBondContact CG1-O 3.28Å; V387-Y437 HydrophobicContact CG1-CE1 3.72Å; V387-Y437 HydrophobicContact CG2-CE1 4.41Å; V387-Y437 WeakPolarHBondContact CG2-OH 3.37Å
388	S	92.9	Very high	90.2	Very high	32 Å²	32	38 Å²	38	22%	0.224	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	147.9	167.8	50.1	0	0	0	0	110	L356 Q403	L356-S388 WeakPolarHBondContact O-CA 3.34Å; S388-Q403 PolarHBondContact N-O 3.26Å; S388-Q403 PolarHBondContact O-N 3.36Å; S388-Q403 VanDerWaalsContact OG-CB 3.24Å; S388-Q403 WeakPolarHBondContact OG-CB 3.35Å; S388-Q403 PolarHBondContact OG-OE1 3.39Å; S388-Q403 VanDerWaalsContact OG-OE1 3.08Å
389	A	92.2	Very high	90	Very high	13 Å²	13	38.8 Å²	38.8	11%	0.107	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	141.5	175.3	0	0	0	0	0	110	L349 L356 F401 L402	L349-A389 HydrophobicContact CD1-CB 4.33Å; L356-A389 HydrophobicContact CB-CB 3.95Å; L356-A389 WeakPolarHBondContact CB-O 3.17Å; L356-A389 PolarHBondContact O-N 3.35Å; A389-F401 WeakPolarHBondContact CA-O 3.21Å; A389-L402 HydrophobicContact CB-CD2 3.87Å
390	I	91	Very high	89.8	Confident	68 Å²	68	39 Å²	39	35%	0.349	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	127	169.9	-61.5	176.3	0	0	0	106.9	T392 G400 F401 Q403	I390-T392 HydrophobicContact CG2-CG2 4.05Å; I390-G400 CarbonylContact O-C 3.55Å; I390-G400 VanDerWaalsContact O-CA 3.28Å; I390-G400 WeakPolarHBondContact O-CA 3.37Å; I390-F401 PolarHBondContact N-O 2.85Å; I390-F401 PolarHBondContact O-N 2.83Å; I390-Q403 VanDerWaalsContact CD1-CD 3.48Å; I390-Q403 HydrophobicContact CD1-CG 4.06Å; I390-Q403 HydrophobicContact CG1-CG 4.41Å
391	L	89.9	Confident	89.6	Confident	20 Å²	20	40.9 Å²	40.9	11%	0.105	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	135.6	169.8	-63.8	178.4	0	0	0	109.3	F286 F351 L356 I398 T399 L463 L470	F286-L391 HydrophobicContact CE1-CD1 4.39Å; F286-L391 HydrophobicContact CZ-CD1 4.09Å; F351-L391 HydrophobicContact CZ-CD1 4.34Å; L356-L391 HydrophobicContact CD1-CB 4.24Å; L356-L391 HydrophobicContact CD1-CD1 3.41Å; L356-L391 VanDerWaalsContact CD1-CD1 3.41Å; L356-L391 HydrophobicContact CD1-CD2 4.47Å; L356-L391 HydrophobicContact CD1-CG 3.39Å; L391-I398 HydrophobicContact CB-CG2 4.47Å; L391-I398 HydrophobicContact CD1-CG2 4.45Å; L391-I398 HydrophobicContact CD2-CG2 4.21Å; L391-T399 CarbonylContact C-O 3.52Å; L391-T399 WeakPolarHBondContact CA-O 3.48Å; L391-L463 HydrophobicContact CB-CD1 4.35Å; L391-L470 HydrophobicContact CD1-CD1 4.09Å; L391-L470 HydrophobicContact CD1-CD2 3.99Å; L391-L470 HydrophobicContact CD1-CG 4.5Å
392	T	87.4	Confident	89.4	Confident	72 Å²	72	42.2 Å²	42.2	44%	0.442	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	174.7	171	75.1	0	0	0	0	109.2	I390 T399	I390-T392 HydrophobicContact CG2-CG2 4.05Å; T392-T399 PolarHBondContact N-O 3.26Å; T392-T399 PolarHBondContact O-N 2.91Å; T392-T399 VanDerWaalsContact O-O 3.07Å; T392-T399 PolarHBondContact O-OG1 3.27Å; T392-T399 PolarHBondContact OG1-OG1 2.93Å
393	F	86.1	Confident	89.1	Confident	31 Å²	31	45.3 Å²	45.3	14%	0.136	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	134.7	-178.8	-172.5	-86	0	0	0	110.3	T395 K397 I398 L450 L458 L461 L472	F393-T395 VanDerWaalsContact CE1-O 3.31Å; F393-T395 WeakPolarHBondContact CE1-O 3.44Å; F393-K397 WeakPolarHBondContact CA-O 3.5Å; F393-K397 VanDerWaalsContact CD2-O 3.31Å; F393-K397 WeakPolarHBondContact CD2-O 3.33Å; F393-I398 HydrophobicContact CD2-CG1 4.01Å; F393-I398 HydrophobicContact CE2-CG1 4.36Å; F393-L450 HydrophobicContact CD2-CD1 4.46Å; F393-L450 HydrophobicContact CE2-CD1 3.41Å; F393-L450 VanDerWaalsContact CE2-CD1 3.41Å; F393-L450 HydrophobicContact CE2-CG 4.05Å; F393-L450 HydrophobicContact CZ-CD1 3.89Å; F393-L458 HydrophobicContact CE1-CB 4.42Å; F393-L458 HydrophobicContact CE1-CD1 4.46Å; F393-L458 HydrophobicContact CZ-CD1 3.89Å; F393-L461 HydrophobicContact CB-CD1 4.27Å; F393-L461 HydrophobicContact CD1-CD1 3.25Å; F393-L461 HydrophobicContact CD1-CD2 3.72Å; F393-L461 HydrophobicContact CD1-CG 4.09Å; F393-L461 HydrophobicContact CE1-CD1 3.89Å; F393-L461 HydrophobicContact CE1-CD2 3.72Å; F393-L461 HydrophobicContact CE1-CG 4.46Å; F393-L461 HydrophobicContact CG-CD1 4.1Å; F393-L461 HydrophobicContact CG-CD2 4.39Å; F393-L472 HydrophobicContact CB-CD1 4.44Å; F393-L472 HydrophobicContact CD2-CD1 4.39Å; F393-L472 HydrophobicContact CD2-CD2 3.61Å; F393-L472 HydrophobicContact CE2-CD2 3.65Å; F393-L472 HydrophobicContact CG-CD1 4.41Å; F393-L472 HydrophobicContact CG-CD2 4.32Å; F393-L472 HydrophobicContact CZ-CD2 4.32Å
394	N	80.4	Confident	88.8	Confident	97 Å²	97	48.4 Å²	48.4	52%	0.519	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	111.3	174.5	179	0.2	0	0	0	109.2	S396 K397 T399	N394-S396 PolarHBondContact O-N 2.99Å; N394-K397 PolarHBondContact N-O 2.68Å; N394-K397 PolarHBondContact O-N 2.68Å; N394-T399 HydrophobicContact CB-CG2 4.5Å
395	T	73.2	Confident	88.5	Confident	95 Å²	95	47.7 Å²	47.7	58%	0.583	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	-58.1	173.1	52.5	0	0	0	0	117.3	F393	F393-T395 VanDerWaalsContact CE1-O 3.31Å; F393-T395 WeakPolarHBondContact CE1-O 3.44Å
396	S	81.4	Confident	88.3	Confident	49 Å²	49	55 Å²	55	34%	0.343	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.7	-0	178.4	60.6	0	0	0	0	114.4	N394 L450	N394-S396 PolarHBondContact O-N 2.99Å; S396-L450 PolarHBondContact O-N 2.8Å
397	K	89.7	Confident	88.1	Confident	82 Å²	82	51.3 Å²	51.3	36%	0.357	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	139.1	-174.5	-60.7	-172.6	172.5	-172.8	0	112.5	F393 N394 E446 F448 P449	F393-K397 WeakPolarHBondContact CA-O 3.5Å; F393-K397 VanDerWaalsContact CD2-O 3.31Å; F393-K397 WeakPolarHBondContact CD2-O 3.33Å; N394-K397 PolarHBondContact N-O 2.68Å; N394-K397 PolarHBondContact O-N 2.68Å; K397-E446 WeakPolarHBondContact CD-O 3.43Å; K397-E446 PolarHBondContact NZ-O 2.93Å; K397-F448 CarbonylContact C-O 3.58Å; K397-F448 WeakPolarHBondContact CA-O 3.36Å; K397-P449 HydrophobicContact CG-CB 4.37Å
398	I	91.4	Very high	88	Confident	6 Å²	6	56.8 Å²	56.8	3%	0.031	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	123.7	164	-61.9	165.9	0	0	0	107.2	V281 L391 F393 G447 F448 L450 L470	V281-I398 HydrophobicContact CB-CD1 4.44Å; V281-I398 HydrophobicContact CG2-CD1 3.8Å; L391-I398 HydrophobicContact CB-CG2 4.47Å; L391-I398 HydrophobicContact CD1-CG2 4.45Å; L391-I398 HydrophobicContact CD2-CG2 4.21Å; F393-I398 HydrophobicContact CD2-CG1 4.01Å; F393-I398 HydrophobicContact CE2-CG1 4.36Å; I398-G447 CarbonylContact O-C 3.58Å; I398-G447 WeakPolarHBondContact O-CA 3.36Å; I398-F448 HydrophobicContact CB-CB 4.43Å; I398-F448 HydrophobicContact CD1-CD1 4.14Å; I398-F448 PolarHBondContact N-O 2.69Å; I398-F448 PolarHBondContact O-N 2.65Å; I398-L450 HydrophobicContact CD1-CD2 3.84Å; I398-L450 HydrophobicContact CG1-CD2 4.36Å; I398-L470 HydrophobicContact CD1-CD2 3.77Å; I398-L470 HydrophobicContact CG1-CD2 4.27Å; I398-L470 HydrophobicContact CG2-CD2 4.15Å
399	T	92.5	Very high	88.1	Confident	18 Å²	18	55.7 Å²	55.7	11%	0.11	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	159.5	176.6	55.9	0	0	0	0	109.3	L391 T392 N394 L444 A445	L391-T399 CarbonylContact C-O 3.52Å; L391-T399 WeakPolarHBondContact CA-O 3.48Å; T392-T399 PolarHBondContact N-O 3.26Å; T392-T399 PolarHBondContact O-N 2.91Å; T392-T399 VanDerWaalsContact O-O 3.07Å; T392-T399 PolarHBondContact O-OG1 3.27Å; T392-T399 PolarHBondContact OG1-OG1 2.93Å; N394-T399 HydrophobicContact CB-CG2 4.5Å; T399-L444 WeakPolarHBondContact CA-O 3.28Å; T399-A445 WeakPolarHBondContact CG2-O 3.35Å
400	G	90.9	Very high	88.1	Confident	11 Å²	11	61.1 Å²	61.1	11%	0.113	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	159	-176.7	0	0	0	0	0	112.9	I390 L444	I390-G400 CarbonylContact O-C 3.55Å; I390-G400 VanDerWaalsContact O-CA 3.28Å; I390-G400 WeakPolarHBondContact O-CA 3.37Å; G400-L444 PolarHBondContact N-O 3.09Å; G400-L444 VanDerWaalsContact N-O 3.12Å; G400-L444 VanDerWaalsContact O-CB 3.24Å; G400-L444 WeakPolarHBondContact O-CB 3.24Å
401	F	91.7	Very high	88.3	Confident	105 Å²	105	60 Å²	60	46%	0.461	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	126.9	168.7	-174.6	-91.9	0	0	0	109.4	A389 I390 Q403 N441	A389-F401 WeakPolarHBondContact CA-O 3.21Å; I390-F401 PolarHBondContact N-O 2.85Å; I390-F401 PolarHBondContact O-N 2.83Å; F401-Q403 HydrophobicContact CD1-CG 4.16Å; F401-Q403 HydrophobicContact CE1-CG 4.23Å; F401-N441 HydrophobicContact CD2-CB 3.96Å; F401-N441 WeakPolarHBondContact CD2-ND2 3.25Å; F401-N441 HydrophobicContact CE2-CB 4.03Å; F401-N441 WeakPolarHBondContact CE2-ND2 3.33Å; F401-N441 WeakPolarHBondContact CZ-ND2 3.36Å
402	L	91.9	Very high	88.5	Confident	27 Å²	27	63.2 Å²	63.2	14%	0.141	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	132	173.6	-61.3	-179.7	0	0	0	110.3	V387 A389 Y437 F440 N441 L444	V387-L402 HydrophobicContact CG1-CB 3.89Å; V387-L402 HydrophobicContact CG1-CD1 4.4Å; V387-L402 HydrophobicContact CG1-CD2 4.03Å; V387-L402 HydrophobicContact CG1-CG 4.31Å; A389-L402 HydrophobicContact CB-CD2 3.87Å; L402-Y437 HydrophobicContact CB-CD1 3.82Å; L402-Y437 HydrophobicContact CB-CE1 3.87Å; L402-Y437 HydrophobicContact CD1-CD1 4.29Å; L402-Y437 HydrophobicContact CD1-CE1 4.27Å; L402-F440 HydrophobicContact CD1-CB 4.05Å; L402-F440 HydrophobicContact CD1-CG 4.48Å; L402-N441 PolarHBondContact N-OD1 2.85Å; L402-N441 PolarHBondContact O-ND2 2.87Å; L402-L444 HydrophobicContact CD1-CD1 4.14Å; L402-L444 HydrophobicContact CD2-CD1 4.06Å; L402-L444 HydrophobicContact CG-CD1 3.61Å
403	Q	90.3	Very high	88.9	Confident	79 Å²	79	64.7 Å²	64.7	37%	0.369	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	125.3	172	-74	-175.2	-42	0	0	109.6	V387 S388 I390 F401 G405	V387-Q403 WeakPolarHBondContact CG1-O 3.28Å; S388-Q403 PolarHBondContact N-O 3.26Å; S388-Q403 PolarHBondContact O-N 3.36Å; S388-Q403 VanDerWaalsContact OG-CB 3.24Å; S388-Q403 WeakPolarHBondContact OG-CB 3.35Å; S388-Q403 PolarHBondContact OG-OE1 3.39Å; S388-Q403 VanDerWaalsContact OG-OE1 3.08Å; I390-Q403 VanDerWaalsContact CD1-CD 3.48Å; I390-Q403 HydrophobicContact CD1-CG 4.06Å; I390-Q403 HydrophobicContact CG1-CG 4.41Å; F401-Q403 HydrophobicContact CD1-CG 4.16Å; F401-Q403 HydrophobicContact CE1-CG 4.23Å; Q403-G405 PolarHBondContact O-N 3.37Å
404	P	86.2	Confident	89.4	Confident	65 Å²	65	65 Å²	65	42%	0.422	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-62.7	135.5	179.4	-20.6	31.2	0	0	0	112.3	L433 Y437	P404-L433 HydrophobicContact CB-CD2 3.29Å; P404-L433 HydrophobicContact CG-CD2 3.35Å; P404-Y437 HydrophobicContact CB-CD2 4.05Å; P404-Y437 HydrophobicContact CB-CE2 3.51Å; P404-Y437 HydrophobicContact CG-CD2 3.75Å; P404-Y437 HydrophobicContact CG-CE2 3.72Å; P404-Y437 HydrophobicContact CG-CG 4.21Å
405	G	85.7	Confident	90.1	Very high	30 Å²	30	66.1 Å²	66.1	31%	0.309	34%	0.336	S	S	.	.			trans	-112.3	-168.2	162.9	0	0	0	0	0	112.6	N386 Q403 V407	N386-G405 WeakPolarHBondContact O-CA 3.36Å; N386-G405 PolarHBondContact O-N 2.91Å; Q403-G405 PolarHBondContact O-N 3.37Å; G405-V407 PolarHBondContact O-N 3.01Å
406	K	85.5	Confident	91.1	Very high	163 Å²	163	61.9 Å²	61.9	71%	0.709	31%	0.31	S	S	*	.			trans	-68	131.3	-175.2	-172.6	171.6	176.7	174.9	0	110.3	T385	T385-K406 WeakPolarHBondContact CA-O 3.32Å; T385-K406 PolarHBondContact OG1-O 3.47Å; T385-K406 VanDerWaalsContact OG1-O 3.08Å
407	V	88.2	Confident	91.6	Very high	10 Å²	10	60.8 Å²	60.8	6%	0.061	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	135.9	171.4	-176	0	0	0	0	108.2	V383 G405 V409 I432	V383-V407 HydrophobicContact CG1-CG1 3.43Å; V383-V407 VanDerWaalsContact CG1-CG1 3.43Å; G405-V407 PolarHBondContact O-N 3.01Å; V407-V409 HydrophobicContact CG1-CG2 3.99Å; V407-I432 HydrophobicContact CG1-CD1 3.98Å; V407-I432 HydrophobicContact CG2-CD1 3.96Å
408	K	90.6	Very high	91.5	Very high	120 Å²	120	64.9 Å²	64.9	52%	0.522	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129.5	170.5	-65.4	-177.5	180	-179.2	0	108.6	V383 A384	V383-K408 WeakPolarHBondContact CA-O 3.46Å; A384-K408 PolarHBondContact N-O 3.09Å; A384-K408 PolarHBondContact O-N 2.91Å
409	V	93	Very high	91.5	Very high	8 Å²	8	65.7 Å²	65.7	5%	0.048	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	127.6	-177.7	-176.7	0	0	0	0	109.4	L381 T382 V383 V407 A421 E425 L428	L381-V409 HydrophobicContact CB-CG1 4.29Å; L381-V409 HydrophobicContact CD1-CG1 4.05Å; L381-V409 HydrophobicContact CD2-CG1 4.48Å; T382-V409 WeakPolarHBondContact O-CA 3.42Å; V383-V409 HydrophobicContact CG1-CG2 4.4Å; V383-V409 HydrophobicContact CG2-CG1 4.43Å; V383-V409 HydrophobicContact CG2-CG2 4.15Å; V407-V409 HydrophobicContact CG1-CG2 3.99Å; V409-A421 HydrophobicContact CG1-CB 4.13Å; V409-E425 HydrophobicContact CB-CG 3.76Å; V409-E425 HydrophobicContact CG2-CB 4.48Å; V409-E425 HydrophobicContact CG2-CG 3.61Å; V409-E425 PolarHBondContact N-OE1 2.94Å; V409-L428 HydrophobicContact CB-CD1 4.43Å; V409-L428 HydrophobicContact CG1-CD1 3.81Å; V409-L428 HydrophobicContact CG2-CD1 3.67Å
410	E	93.9	Very high	91.2	Very high	128 Å²	128	68.6 Å²	68.6	60%	0.598	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	148.9	179.1	-66.7	176.4	-175.5	0	0	110.7	L381 T382	L381-E410 CarbonylContact C-O 3.59Å; L381-E410 VanDerWaalsContact CA-O 3.25Å; L381-E410 WeakPolarHBondContact CA-O 3.46Å; T382-E410 PolarHBondContact N-O 2.79Å; T382-E410 PolarHBondContact O-N 3.38Å; T382-E410 WeakPolarHBondContact OG1-CB 3.4Å; T382-E410 PolarHBondContact OG1-O 2.83Å
411	L	94.8	Very high	90.9	Very high	43 Å²	43	68.3 Å²	68.3	23%	0.225	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	113.6	175.1	-176	63.5	0	0	0	109.3	F379 L381 L418 F419 A421	F379-L411 HydrophobicContact CB-CD1 4.13Å; L381-L411 HydrophobicContact CD2-CD1 3.75Å; L411-L418 HydrophobicContact CD2-CD2 4.33Å; L411-F419 HydrophobicContact CD1-CD1 4.43Å; L411-F419 HydrophobicContact CD1-CE1 3.58Å; L411-F419 HydrophobicContact CD1-CE2 4.43Å; L411-F419 HydrophobicContact CD1-CZ 3.58Å; L411-F419 HydrophobicContact CD2-CD1 3.86Å; L411-F419 HydrophobicContact CD2-CE1 3.84Å; L411-F419 HydrophobicContact CD2-CG 4.4Å; L411-F419 HydrophobicContact CD2-CZ 4.37Å; L411-F419 HydrophobicContact CG-CE1 4.38Å; L411-A421 HydrophobicContact CB-CB 4.25Å
412	K	94.4	Very high	90.4	Very high	88 Å²	88	68.9 Å²	68.9	38%	0.383	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-50.5	178.7	-179.1	172.9	171.5	-174.7	0	111.7	E363 R380 T382	E363-K412 IonicContact OE1-NZ 3.23Å; E363-K412 PolarHBondContact OE1-NZ 3.38Å; E363-K412 IonicContact OE2-NZ 3.85Å; E363-K412 PolarHBondContact OE2-NZ 2.85Å; R380-K412 HydrophobicContact CG-CB 4.27Å; R380-K412 HydrophobicContact CG-CD 4.23Å; R380-K412 PolarHBondContact O-N 2.9Å; T382-K412 HydrophobicContact CG2-CB 3.88Å; T382-K412 HydrophobicContact CG2-CD 3.62Å; T382-K412 HydrophobicContact CG2-CG 4.26Å
413	E	94.9	Very high	89.9	Confident	103 Å²	103	71.4 Å²	71.4	48%	0.481	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	149.1	-178.9	-70.7	166.6	-135.9	0	0	110.7	F379 R380	F379-E413 CarbonylContact C-O 3.5Å; F379-E413 VanDerWaalsContact CA-O 3.25Å; F379-E413 WeakPolarHBondContact CA-O 3.49Å; F379-E413 WeakPolarHBondContact CB-O 3.32Å; R380-E413 HydrophobicContact CB-CB 4.23Å; R380-E413 PolarHBondContact N-O 2.96Å; R380-E413 IonicContact NH1-OE1 3.05Å; R380-E413 PolarHBondContact NH1-OE1 2.83Å; R380-E413 IonicContact NH1-OE2 2.95Å; R380-E413 PolarHBondContact O-N 3.42Å
414	S	96.1	Very high	89.6	Confident	39 Å²	39	67.8 Å²	67.8	27%	0.273	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	126.4	176.2	179.9	0	0	0	0	113.1	V416 G417	S414-V416 VanDerWaalsContact C-N 3.33Å; S414-V416 WeakPolarHBondContact OG-CG2 3.32Å; S414-V416 PolarHBondContact OG-N 2.84Å; S414-V416 VanDerWaalsContact OG-N 3.16Å; S414-G417 VanDerWaalsContact CB-O 3.25Å; S414-G417 WeakPolarHBondContact CB-O 3.47Å; S414-G417 PolarHBondContact OG-N 2.86Å; S414-G417 PolarHBondContact OG-O 3.1Å
415	K	95.3	Very high	89.6	Confident	119 Å²	119	67.4 Å²	67.4	52%	0.517	34%	0.34	S	S	.	.	S	Bend	trans	-84.8	-9.9	169	-58.5	-173	-168.5	164.7	0	112.8	E376 P377 V378	E376-K415 IonicContact OE1-NZ 2.79Å; E376-K415 PolarHBondContact OE1-NZ 2.89Å; P377-K415 WeakPolarHBondContact O-CD 3.35Å; P377-K415 WeakPolarHBondContact O-CE 3.35Å; P377-K415 PolarHBondContact O-NZ 2.88Å; V378-K415 PolarHBondContact O-N 3.38Å
416	V	94.4	Very high	89.4	Confident	6 Å²	6	69.3 Å²	69.3	4%	0.036	35%	0.352	C	S	.	.	S	Bend	trans	-107.7	16.4	-176.9	-65.6	0	0	0	0	112.5	V325 R327 L328 V378 F379 S414	V325-V416 HydrophobicContact CG1-CB 3.97Å; V325-V416 HydrophobicContact CG1-CG2 3.5Å; R327-V416 WeakPolarHBondContact CB-O 3.47Å; L328-V416 HydrophobicContact CB-CB 4.11Å; L328-V416 HydrophobicContact CB-CG1 4.04Å; L328-V416 HydrophobicContact CB-CG2 4.3Å; L328-V416 HydrophobicContact CD1-CG1 3.89Å; V378-V416 HydrophobicContact CB-CG1 4.14Å; V378-V416 HydrophobicContact CG1-CG1 4.25Å; F379-V416 HydrophobicContact CD1-CG2 4Å; S414-V416 VanDerWaalsContact C-N 3.33Å; S414-V416 WeakPolarHBondContact OG-CG2 3.32Å; S414-V416 PolarHBondContact OG-N 2.84Å; S414-V416 VanDerWaalsContact OG-N 3.16Å
417	G	91.3	Very high	89.4	Confident	27 Å²	27	61.9 Å²	61.9	28%	0.278	32%	0.32	S	S	.	.			trans	86.2	173.8	178.7	0	0	0	0	0	113.3	S414	S414-G417 VanDerWaalsContact CB-O 3.25Å; S414-G417 WeakPolarHBondContact CB-O 3.47Å; S414-G417 PolarHBondContact OG-N 2.86Å; S414-G417 PolarHBondContact OG-O 3.1Å
418	L	89.6	Confident	89.4	Confident	168 Å²	168	61.5 Å²	61.5	88%	0.88	32%	0.318	S	S	*	.			trans	-75.1	139.7	179.5	-61.9	174	0	0	0	110.5	L411	L411-L418 HydrophobicContact CD2-CD2 4.33Å
419	F	90.1	Very high	89.3	Confident	23 Å²	23	58.7 Å²	58.7	10%	0.101	31%	0.308	C	S	.	.			trans	-148.2	159.7	174.1	63	-88.8	0	0	0	110.1	F324 V325 F379 L381 L411 A421 L424	F324-F419 VanDerWaalsContact O-CB 3.23Å; F324-F419 WeakPolarHBondContact O-CB 3.49Å; V325-F419 HydrophobicContact CG1-CD1 4.03Å; V325-F419 HydrophobicContact CG1-CE1 4.45Å; V325-F419 HydrophobicContact CG2-CB 3.98Å; V325-F419 HydrophobicContact CG2-CD1 3.81Å; V325-F419 HydrophobicContact CG2-CD2 3.82Å; V325-F419 HydrophobicContact CG2-CE1 4.19Å; V325-F419 HydrophobicContact CG2-CE2 4.21Å; V325-F419 HydrophobicContact CG2-CG 3.6Å; V325-F419 HydrophobicContact CG2-CZ 4.38Å; F379-F419 HydrophobicContact CB-CE1 4.16Å; F379-F419 HydrophobicContact CB-CZ 4.42Å; F379-F419 HydrophobicContact CD1-CE1 4.13Å; F379-F419 HydrophobicContact CD1-CZ 4.16Å; F379-F419 HydrophobicContact CD2-CE1 4.31Å; F379-F419 AromaticContact CD2-CZ 3.76Å; F379-F419 HydrophobicContact CD2-CZ 3.76Å; F379-F419 HydrophobicContact CE1-CZ 4.38Å; F379-F419 AromaticContact CE2-CZ 3.98Å; F379-F419 HydrophobicContact CE2-CZ 3.98Å; F379-F419 AromaticContact CG-CE1 3.95Å; F379-F419 HydrophobicContact CG-CE1 3.95Å; F379-F419 AromaticContact CG-CZ 3.86Å; F379-F419 HydrophobicContact CG-CZ 3.86Å; F379-F419 HydrophobicContact CZ-CZ 4.29Å; L381-F419 HydrophobicContact CD2-CZ 4.29Å; L411-F419 HydrophobicContact CD1-CD1 4.43Å; L411-F419 HydrophobicContact CD1-CE1 3.58Å; L411-F419 HydrophobicContact CD1-CE2 4.43Å; L411-F419 HydrophobicContact CD1-CZ 3.58Å; L411-F419 HydrophobicContact CD2-CD1 3.86Å; L411-F419 HydrophobicContact CD2-CE1 3.84Å; L411-F419 HydrophobicContact CD2-CG 4.4Å; L411-F419 HydrophobicContact CD2-CZ 4.37Å; L411-F419 HydrophobicContact CG-CE1 4.38Å; F419-A421 HydrophobicContact CE2-CB 4.48Å; F419-A421 PolarHBondContact O-N 3.2Å; F419-L424 HydrophobicContact CE2-CD1 3.89Å; F419-L424 HydrophobicContact CZ-CD1 4.43Å
420	N	86.4	Confident	89	Confident	79 Å²	79	63 Å²	63	42%	0.422	32%	0.324	S	S	.	.			trans	-75.1	109.7	175	-172	-0.4	0	0	0	109.8	E422 L423	N420-E422 PolarHBondContact ND2-OE2 3.04Å; N420-E422 PolarHBondContact O-N 2.84Å; N420-E422 VanDerWaalsContact OD1-CB 3.23Å; N420-E422 WeakPolarHBondContact OD1-CB 3.31Å; N420-E422 VanDerWaalsContact OD1-CG 3.23Å; N420-E422 WeakPolarHBondContact OD1-CG 3.47Å; N420-E422 PolarHBondContact OD1-N 2.76Å; N420-L423 HydrophobicContact CB-CD1 4.47Å; N420-L423 PolarHBondContact O-N 3.02Å
421	A	85.3	Confident	88.8	Confident	5 Å²	5	57.2 Å²	57.2	4%	0.041	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-70.2	-17.4	178.5	0	0	0	0	0	113.2	L381 V409 L411 F419 L423 L424	L381-A421 HydrophobicContact CD2-CB 4.11Å; V409-A421 HydrophobicContact CG1-CB 4.13Å; L411-A421 HydrophobicContact CB-CB 4.25Å; F419-A421 HydrophobicContact CE2-CB 4.48Å; F419-A421 PolarHBondContact O-N 3.2Å; A421-L423 PolarHBondContact O-N 3.35Å; A421-L423 VanDerWaalsContact O-N 3.12Å; A421-L424 WeakPolarHBondContact O-CB 3.26Å; A421-L424 PolarHBondContact O-N 3Å
422	E	81.1	Confident	88.5	Confident	117 Å²	117	55.6 Å²	55.6	55%	0.547	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-57.6	-27.7	175.2	-65.4	173.6	162.1	0	0	112	N420 L424 E425	N420-E422 PolarHBondContact ND2-OE2 3.04Å; N420-E422 PolarHBondContact O-N 2.84Å; N420-E422 VanDerWaalsContact OD1-CB 3.23Å; N420-E422 WeakPolarHBondContact OD1-CB 3.31Å; N420-E422 VanDerWaalsContact OD1-CG 3.23Å; N420-E422 WeakPolarHBondContact OD1-CG 3.47Å; N420-E422 PolarHBondContact OD1-N 2.76Å; E422-L424 PolarHBondContact O-N 2.82Å; E422-E425 VanDerWaalsContact O-CB 3.25Å; E422-E425 WeakPolarHBondContact O-CB 3.46Å; E422-E425 PolarHBondContact O-N 2.91Å
423	L	80	Confident	88.2	Confident	79 Å²	79	54.3 Å²	54.3	41%	0.414	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-66.1	-19.6	176.6	-63.3	172.9	0	0	0	112.9	I314 F324 N420 A421	I314-L423 VanDerWaalsContact CD1-O 3.25Å; I314-L423 WeakPolarHBondContact CD1-O 3.37Å; F324-L423 HydrophobicContact CB-CD1 3.31Å; F324-L423 HydrophobicContact CD1-CD1 4.33Å; F324-L423 HydrophobicContact CD2-CD1 4.38Å; F324-L423 HydrophobicContact CG-CD1 3.81Å; N420-L423 HydrophobicContact CB-CD1 4.47Å; N420-L423 PolarHBondContact O-N 3.02Å; A421-L423 PolarHBondContact O-N 3.35Å; A421-L423 VanDerWaalsContact O-N 3.12Å
424	L	84.6	Confident	87.8	Confident	3 Å²	3	53.5 Å²	53.5	2%	0.016	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-92.9	-9	174.6	-59.7	178.8	0	0	0	112.7	F321 F324 F379 L381 F419 A421 E422 A426 L427 L428	F321-L424 HydrophobicContact CE1-CD1 4.09Å; F321-L424 HydrophobicContact CE1-CD2 3.56Å; F321-L424 HydrophobicContact CE1-CG 4.44Å; F321-L424 HydrophobicContact CE2-CD2 4.31Å; F321-L424 HydrophobicContact CZ-CD2 3.42Å; F321-L424 VanDerWaalsContact CZ-CD2 3.42Å; F324-L424 HydrophobicContact CE2-CD2 3.91Å; F324-L424 HydrophobicContact CZ-CD2 4.27Å; F379-L424 HydrophobicContact CE2-CD1 4.14Å; F379-L424 HydrophobicContact CZ-CD1 4.35Å; L381-L424 HydrophobicContact CD1-CD1 3.74Å; F419-L424 HydrophobicContact CE2-CD1 3.89Å; F419-L424 HydrophobicContact CZ-CD1 4.43Å; A421-L424 WeakPolarHBondContact O-CB 3.26Å; A421-L424 PolarHBondContact O-N 3Å; E422-L424 PolarHBondContact O-N 2.82Å; L424-A426 VanDerWaalsContact C-N 3.31Å; L424-A426 PolarHBondContact O-N 2.86Å; L424-L427 PolarHBondContact O-N 2.84Å; L424-L428 HydrophobicContact CB-CD1 4.48Å; L424-L428 WeakPolarHBondContact O-CB 3.4Å; L424-L428 WeakPolarHBondContact O-CG 3.47Å; L424-L428 PolarHBondContact O-N 2.81Å
425	E	85.7	Confident	87.5	Confident	58 Å²	58	53.3 Å²	53.3	27%	0.271	28%	0.282	S	S	.	.	H	α-helix	trans	-59.2	-42.7	178.4	-75	-177.8	168.1	0	0	111.5	V409 E422 L427 L428 N429	V409-E425 HydrophobicContact CB-CG 3.76Å; V409-E425 HydrophobicContact CG2-CB 4.48Å; V409-E425 HydrophobicContact CG2-CG 3.61Å; V409-E425 PolarHBondContact N-OE1 2.94Å; E422-E425 VanDerWaalsContact O-CB 3.25Å; E422-E425 WeakPolarHBondContact O-CB 3.46Å; E422-E425 PolarHBondContact O-N 2.91Å; E425-L427 VanDerWaalsContact C-N 3.33Å; E425-L427 PolarHBondContact O-N 2.78Å; E425-L428 PolarHBondContact O-N 2.82Å; E425-N429 WeakPolarHBondContact O-CA 3.33Å; E425-N429 WeakPolarHBondContact O-CB 3.32Å; E425-N429 PolarHBondContact O-N 3.2Å
426	A	82.5	Confident	87.1	Confident	69 Å²	69	48.5 Å²	48.5	57%	0.57	26%	0.262	S	S	*	.	H	α-helix	trans	-60.9	-42.1	-179.9	0	0	0	0	0	112.2	L424 Y430	L424-A426 VanDerWaalsContact C-N 3.31Å; L424-A426 PolarHBondContact O-N 2.86Å; A426-Y430 WeakPolarHBondContact O-CB 3.5Å; A426-Y430 PolarHBondContact O-N 2.87Å
427	L	85.6	Confident	86.9	Confident	7 Å²	7	49 Å²	49	4%	0.037	26%	0.263	C	S	.	.	H	α-helix	trans	-68.4	-48.2	178.7	-175.7	153.5	0	0	0	111.1	I308 I314 L316 L339 L424 E425 Y430 Y431	I308-L427 HydrophobicContact CD1-CD1 3.99Å; I308-L427 HydrophobicContact CD1-CD2 3.98Å; I308-L427 HydrophobicContact CD1-CG 3.89Å; I308-L427 HydrophobicContact CG1-CD1 4.49Å; I314-L427 HydrophobicContact CB-CD1 4.48Å; I314-L427 HydrophobicContact CG2-CD1 3.97Å; L316-L427 HydrophobicContact CD2-CD1 3.75Å; L316-L427 HydrophobicContact CD2-CD2 4.2Å; L316-L427 HydrophobicContact CG-CD1 4.09Å; L339-L427 HydrophobicContact CD1-CD2 4.28Å; L424-L427 PolarHBondContact O-N 2.84Å; E425-L427 VanDerWaalsContact C-N 3.33Å; E425-L427 PolarHBondContact O-N 2.78Å; L427-Y430 PolarHBondContact O-N 3.37Å; L427-Y431 PolarHBondContact O-N 2.05Å
428	L	89	Confident	86.9	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-66	-42.1	179.7	-70.3	174.5	0	0	0	111.5	I303 L339 I364 L381 V383 V409 L424 E425 Y430 Y431 I432	I303-L428 HydrophobicContact CD1-CD2 3.99Å; L339-L428 HydrophobicContact CD1-CD2 4.1Å; I364-L428 HydrophobicContact CD1-CD1 4.17Å; I364-L428 HydrophobicContact CD1-CD2 3.65Å; L381-L428 HydrophobicContact CD1-CD1 4.08Å; V383-L428 HydrophobicContact CG2-CD1 4.13Å; V409-L428 HydrophobicContact CB-CD1 4.43Å; V409-L428 HydrophobicContact CG1-CD1 3.81Å; V409-L428 HydrophobicContact CG2-CD1 3.67Å; L424-L428 HydrophobicContact CB-CD1 4.48Å; L424-L428 WeakPolarHBondContact O-CB 3.4Å; L424-L428 WeakPolarHBondContact O-CG 3.47Å; L424-L428 PolarHBondContact O-N 2.81Å; E425-L428 PolarHBondContact O-N 2.82Å; L428-Y430 VanDerWaalsContact C-N 3.34Å; L428-Y430 PolarHBondContact O-N 3.27Å; L428-Y431 PolarHBondContact O-N 3.21Å; L428-I432 VanDerWaalsContact O-CB 3.31Å; L428-I432 WeakPolarHBondContact O-CB 3.34Å; L428-I432 WeakPolarHBondContact O-CD1 3.01Å; L428-I432 WeakPolarHBondContact O-CG1 3.09Å; L428-I432 PolarHBondContact O-N 2.92Å
429	N	88	Confident	87	Confident	61 Å²	61	48.4 Å²	48.4	33%	0.326	25%	0.251	S	S	.	.	H	α-helix	trans	-61.4	-43.1	175.6	-170.2	41.6	0	0	0	110.8	E425 Y431 I432 L433	E425-N429 WeakPolarHBondContact O-CA 3.33Å; E425-N429 WeakPolarHBondContact O-CB 3.32Å; E425-N429 PolarHBondContact O-N 3.2Å; N429-Y431 PolarHBondContact O-N 3.23Å; N429-I432 PolarHBondContact O-N 3.36Å; N429-L433 VanDerWaalsContact O-CB 3.24Å; N429-L433 WeakPolarHBondContact O-CB 3.49Å; N429-L433 WeakPolarHBondContact O-CG 3.37Å; N429-L433 PolarHBondContact O-N 3.49Å; N429-L433 WeakPolarHBondContact OD1-CD1 3.44Å
430	Y	86.9	Confident	87	Confident	98 Å²	98	50.9 Å²	50.9	38%	0.384	26%	0.262	S	S	.	.	H	α-helix	trans	-57.9	-49.6	174.3	179.7	-85.6	0	0	0	111.8	P309 A426 L427 L428 L433 N434	P309-Y430 HydrophobicContact CG-CD1 3.82Å; P309-Y430 HydrophobicContact CG-CD2 4.23Å; P309-Y430 HydrophobicContact CG-CE1 3.16Å; P309-Y430 HydrophobicContact CG-CE2 3.61Å; P309-Y430 HydrophobicContact CG-CG 4.34Å; P309-Y430 VanDerWaalsContact CG-OH 3.24Å; P309-Y430 WeakPolarHBondContact CG-OH 3.4Å; A426-Y430 WeakPolarHBondContact O-CB 3.5Å; A426-Y430 PolarHBondContact O-N 2.87Å; L427-Y430 PolarHBondContact O-N 3.37Å; L428-Y430 VanDerWaalsContact C-N 3.34Å; L428-Y430 PolarHBondContact O-N 3.27Å; Y430-L433 PolarHBondContact O-N 3.08Å; Y430-N434 WeakPolarHBondContact CD2-ND2 3.42Å; Y430-N434 HydrophobicContact CE1-CB 4.15Å; Y430-N434 HydrophobicContact CE2-CB 4.4Å; Y430-N434 WeakPolarHBondContact CE2-ND2 3.45Å; Y430-N434 WeakPolarHBondContact O-CB 3.48Å; Y430-N434 PolarHBondContact O-N 2.81Å; Y430-N434 PolarHBondContact O-ND2 2.85Å
431	Y	88	Confident	87.3	Confident	8 Å²	8	47.9 Å²	47.9	3%	0.031	25%	0.246	C	C	.	.	H	α-helix	trans	-63.7	-45.4	-179.8	-179.1	-96.9	0	0	0	112	F301 S302 I303 M307 L427 L428 N429 L433 T435 L436	F301-Y431 AromaticContact CD2-CE1 3.7Å; F301-Y431 HydrophobicContact CD2-CE1 3.7Å; F301-Y431 HydrophobicContact CE2-CE1 4.1Å; F301-Y431 HydrophobicContact CG-CE1 4.34Å; S302-Y431 PolarHBondContact O-OH 2.82Å; S302-Y431 VanDerWaalsContact O-OH 3.05Å; I303-Y431 HydrophobicContact CB-CE2 4.37Å; I303-Y431 HydrophobicContact CD1-CD1 3.48Å; I303-Y431 VanDerWaalsContact CD1-CD1 3.48Å; I303-Y431 HydrophobicContact CD1-CD2 4.12Å; I303-Y431 HydrophobicContact CD1-CE1 3.81Å; I303-Y431 HydrophobicContact CD1-CE2 4.39Å; I303-Y431 HydrophobicContact CD1-CG 3.65Å; I303-Y431 HydrophobicContact CG1-CD1 3.9Å; I303-Y431 HydrophobicContact CG1-CD2 4.04Å; I303-Y431 HydrophobicContact CG1-CE1 3.72Å; I303-Y431 HydrophobicContact CG1-CE2 3.86Å; I303-Y431 HydrophobicContact CG1-CG 4.04Å; I303-Y431 HydrophobicContact CG2-CD2 3.85Å; I303-Y431 HydrophobicContact CG2-CE2 4.06Å; I303-Y431 HydrophobicContact CG2-CG 4.34Å; M307-Y431 HydrophobicContact SD-CE2 4.02Å; L427-Y431 PolarHBondContact O-N 2.05Å; L428-Y431 PolarHBondContact O-N 3.21Å; N429-Y431 PolarHBondContact O-N 3.23Å; Y431-L433 PolarHBondContact O-N 2.87Å; Y431-T435 HydrophobicContact CD2-CG2 4.3Å; Y431-T435 HydrophobicContact CE2-CG2 3.75Å; Y431-T435 WeakPolarHBondContact O-CA 3.34Å; Y431-T435 VanDerWaalsContact O-CB 3.23Å; Y431-T435 WeakPolarHBondContact O-CB 3.34Å; Y431-T435 PolarHBondContact O-N 3.45Å; Y431-L436 HydrophobicContact CD1-CD1 3.81Å; Y431-L436 HydrophobicContact CD1-CG 3.82Å; Y431-L436 HydrophobicContact CE1-CD1 3.63Å; Y431-L436 HydrophobicContact CE1-CD2 3.78Å; Y431-L436 HydrophobicContact CE1-CG 3.42Å; Y431-L436 VanDerWaalsContact CE1-CG 3.42Å; Y431-L436 PolarHBondContact O-N 3.21Å; Y431-L436 VanDerWaalsContact O-N 3.14Å
432	I	89.1	Confident	87.6	Confident	9 Å²	9	53 Å²	53	5%	0.046	27%	0.273	C	S	.	.	I	π-helix	trans	-58.5	-49.8	178.2	-72	163.7	0	0	0	110.1	M362 V383 V407 L428 N429 L436 Y437	M362-I432 HydrophobicContact CE-CD1 4.36Å; V383-I432 HydrophobicContact CG1-CD1 4.39Å; V407-I432 HydrophobicContact CG1-CD1 3.98Å; V407-I432 HydrophobicContact CG2-CD1 3.96Å; L428-I432 VanDerWaalsContact O-CB 3.31Å; L428-I432 WeakPolarHBondContact O-CB 3.34Å; L428-I432 WeakPolarHBondContact O-CD1 3.01Å; L428-I432 WeakPolarHBondContact O-CG1 3.09Å; L428-I432 PolarHBondContact O-N 2.92Å; N429-I432 PolarHBondContact O-N 3.36Å; I432-L436 HydrophobicContact CG1-CD1 3.93Å; I432-L436 PolarHBondContact O-N 3.42Å; I432-Y437 HydrophobicContact CG2-CD2 3.58Å; I432-Y437 HydrophobicContact CG2-CE2 3.28Å; I432-Y437 VanDerWaalsContact O-CD2 3.23Å; I432-Y437 WeakPolarHBondContact O-CD2 3.46Å; I432-Y437 PolarHBondContact O-N 3.15Å
433	L	88.7	Confident	88	Confident	61 Å²	61	50.2 Å²	50.2	32%	0.319	26%	0.259	S	S	.	.	I	π-helix	trans	-68.1	-41.6	-177.6	-69.8	175.1	0	0	0	114	P404 N429 Y430 Y431 Y437 P438	P404-L433 HydrophobicContact CB-CD2 3.29Å; P404-L433 HydrophobicContact CG-CD2 3.35Å; N429-L433 VanDerWaalsContact O-CB 3.24Å; N429-L433 WeakPolarHBondContact O-CB 3.49Å; N429-L433 WeakPolarHBondContact O-CG 3.37Å; N429-L433 PolarHBondContact O-N 3.49Å; N429-L433 WeakPolarHBondContact OD1-CD1 3.44Å; Y430-L433 PolarHBondContact O-N 3.08Å; Y431-L433 PolarHBondContact O-N 2.87Å; L433-Y437 HydrophobicContact CD2-CD2 4.14Å; L433-Y437 HydrophobicContact CD2-CE2 4.26Å; L433-P438 WeakPolarHBondContact O-CD 3.15Å
434	N	87.3	Confident	88.6	Confident	85 Å²	85	49.5 Å²	49.5	46%	0.455	26%	0.255	S	S	.	.	I	π-helix	trans	-103.1	-10.1	-169.4	-60	-73.8	0	0	0	113.7	Y430	Y430-N434 WeakPolarHBondContact CD2-ND2 3.42Å; Y430-N434 HydrophobicContact CE1-CB 4.15Å; Y430-N434 HydrophobicContact CE2-CB 4.4Å; Y430-N434 WeakPolarHBondContact CE2-ND2 3.45Å; Y430-N434 WeakPolarHBondContact O-CB 3.48Å; Y430-N434 PolarHBondContact O-N 2.81Å; Y430-N434 PolarHBondContact O-ND2 2.85Å
435	T	88	Confident	88.9	Confident	35 Å²	35	52.4 Å²	52.4	22%	0.215	28%	0.279	C	S	.	.	I	π-helix	trans	-126.8	-53.4	-178.9	-53.3	0	0	0	0	112.6	Y431 K439	Y431-T435 HydrophobicContact CD2-CG2 4.3Å; Y431-T435 HydrophobicContact CE2-CG2 3.75Å; Y431-T435 WeakPolarHBondContact O-CA 3.34Å; Y431-T435 VanDerWaalsContact O-CB 3.23Å; Y431-T435 WeakPolarHBondContact O-CB 3.34Å; Y431-T435 PolarHBondContact O-N 3.45Å; T435-K439 WeakPolarHBondContact O-CG 3.24Å; T435-K439 PolarHBondContact O-N 2.76Å
436	L	88.4	Confident	89.1	Confident	19 Å²	19	54.3 Å²	54.3	10%	0.099	29%	0.288	C	S	.	.	I	π-helix	trans	-71.6	-54.4	-176.6	-69.6	174.3	0	0	0	112.2	F301 Y431 I432 K439 F440	F301-L436 HydrophobicContact CB-CD2 4.12Å; F301-L436 HydrophobicContact CD1-CD1 4.28Å; F301-L436 HydrophobicContact CD1-CD2 4.23Å; F301-L436 HydrophobicContact CE1-CD1 4.14Å; F301-L436 HydrophobicContact CE2-CD1 4.37Å; F301-L436 HydrophobicContact CG-CD1 4.45Å; F301-L436 HydrophobicContact CG-CD2 4.11Å; F301-L436 HydrophobicContact CZ-CD1 4.18Å; Y431-L436 HydrophobicContact CD1-CD1 3.81Å; Y431-L436 HydrophobicContact CD1-CG 3.82Å; Y431-L436 HydrophobicContact CE1-CD1 3.63Å; Y431-L436 HydrophobicContact CE1-CD2 3.78Å; Y431-L436 HydrophobicContact CE1-CG 3.42Å; Y431-L436 VanDerWaalsContact CE1-CG 3.42Å; Y431-L436 PolarHBondContact O-N 3.21Å; Y431-L436 VanDerWaalsContact O-N 3.14Å; I432-L436 HydrophobicContact CG1-CD1 3.93Å; I432-L436 PolarHBondContact O-N 3.42Å; L436-K439 PolarHBondContact O-N 2.81Å; L436-F440 VanDerWaalsContact O-CD2 3.25Å; L436-F440 WeakPolarHBondContact O-CD2 3.43Å; L436-F440 PolarHBondContact O-N 3.03Å
437	Y	90	Very high	89.4	Confident	15 Å²	15	51.7 Å²	51.7	6%	0.059	27%	0.268	C	S	.	.	H	α-helix	trans	-56.9	-45.5	-178.8	-83.1	-62.3	0	0	0	113.3	V387 L402 P404 I432 L433 K439 F440 N441	V387-Y437 HydrophobicContact CG1-CE1 3.72Å; V387-Y437 HydrophobicContact CG2-CE1 4.41Å; V387-Y437 WeakPolarHBondContact CG2-OH 3.37Å; L402-Y437 HydrophobicContact CB-CD1 3.82Å; L402-Y437 HydrophobicContact CB-CE1 3.87Å; L402-Y437 HydrophobicContact CD1-CD1 4.29Å; L402-Y437 HydrophobicContact CD1-CE1 4.27Å; P404-Y437 HydrophobicContact CB-CD2 4.05Å; P404-Y437 HydrophobicContact CB-CE2 3.51Å; P404-Y437 HydrophobicContact CG-CD2 3.75Å; P404-Y437 HydrophobicContact CG-CE2 3.72Å; P404-Y437 HydrophobicContact CG-CG 4.21Å; I432-Y437 HydrophobicContact CG2-CD2 3.58Å; I432-Y437 HydrophobicContact CG2-CE2 3.28Å; I432-Y437 VanDerWaalsContact O-CD2 3.23Å; I432-Y437 WeakPolarHBondContact O-CD2 3.46Å; I432-Y437 PolarHBondContact O-N 3.15Å; L433-Y437 HydrophobicContact CD2-CD2 4.14Å; L433-Y437 HydrophobicContact CD2-CE2 4.26Å; Y437-K439 PolarHBondContact O-N 3.26Å; Y437-F440 PolarHBondContact O-N 3.05Å; Y437-N441 VanDerWaalsContact O-CB 3.32Å; Y437-N441 WeakPolarHBondContact O-CB 3.41Å; Y437-N441 VanDerWaalsContact O-CG 3.26Å; Y437-N441 PolarHBondContact O-N 3.18Å; Y437-N441 PolarHBondContact O-ND2 2.85Å
438	P	91.9	Very high	89.5	Confident	51 Å²	51	52.3 Å²	52.3	33%	0.331	27%	0.27	S	S	.	.	H	α-helix	trans	-56.2	-46.8	175	-29.4	37.7	0	0	0	113	L433 F440 N441 D442	L433-P438 WeakPolarHBondContact O-CD 3.15Å; P438-F440 PolarHBondContact O-N 2.86Å; P438-N441 PolarHBondContact O-N 3.28Å; P438-D442 WeakPolarHBondContact O-CB 3.5Å; P438-D442 PolarHBondContact O-N 2.98Å
439	K	90.4	Very high	89.7	Confident	132 Å²	132	53.1 Å²	53.1	57%	0.574	28%	0.275	S	S	*	.	H	α-helix	trans	-60.2	-42.6	177.8	-72.6	178	179.2	-177.5	0	112.7	T435 L436 Y437 K443	T435-K439 WeakPolarHBondContact O-CG 3.24Å; T435-K439 PolarHBondContact O-N 2.76Å; L436-K439 PolarHBondContact O-N 2.81Å; Y437-K439 PolarHBondContact O-N 3.26Å; K439-K443 PolarHBondContact O-N 2.92Å
440	F	89.9	Confident	90	Very high	75 Å²	75	50.6 Å²	50.6	33%	0.329	26%	0.262	S	S	.	.	H	α-helix	trans	-66.1	-42.4	175.5	-80.2	-69.1	0	0	0	111.9	L299 L402 L436 Y437 P438 K443 L444	L299-F440 HydrophobicContact CD2-CE1 3.57Å; L299-F440 HydrophobicContact CD2-CZ 3.54Å; L402-F440 HydrophobicContact CD1-CB 4.05Å; L402-F440 HydrophobicContact CD1-CG 4.48Å; L436-F440 VanDerWaalsContact O-CD2 3.25Å; L436-F440 WeakPolarHBondContact O-CD2 3.43Å; L436-F440 PolarHBondContact O-N 3.03Å; Y437-F440 PolarHBondContact O-N 3.05Å; P438-F440 PolarHBondContact O-N 2.86Å; F440-K443 PolarHBondContact O-N 3.44Å; F440-L444 WeakPolarHBondContact O-CB 3.4Å; F440-L444 VanDerWaalsContact O-CG 3.32Å; F440-L444 WeakPolarHBondContact O-CG 3.26Å; F440-L444 PolarHBondContact O-N 3.33Å
441	N	92.8	Very high	90.4	Very high	17 Å²	17	46.2 Å²	46.2	9%	0.091	25%	0.245	C	C	.	.	H	α-helix	trans	-67.7	-36.9	-179.9	-73.9	-22.1	0	0	0	112.2	F401 L402 Y437 P438 K443 L444 A445	F401-N441 HydrophobicContact CD2-CB 3.96Å; F401-N441 WeakPolarHBondContact CD2-ND2 3.25Å; F401-N441 HydrophobicContact CE2-CB 4.03Å; F401-N441 WeakPolarHBondContact CE2-ND2 3.33Å; F401-N441 WeakPolarHBondContact CZ-ND2 3.36Å; L402-N441 PolarHBondContact N-OD1 2.85Å; L402-N441 PolarHBondContact O-ND2 2.87Å; Y437-N441 VanDerWaalsContact O-CB 3.32Å; Y437-N441 WeakPolarHBondContact O-CB 3.41Å; Y437-N441 VanDerWaalsContact O-CG 3.26Å; Y437-N441 PolarHBondContact O-N 3.18Å; Y437-N441 PolarHBondContact O-ND2 2.85Å; P438-N441 PolarHBondContact O-N 3.28Å; N441-K443 VanDerWaalsContact C-N 3.3Å; N441-K443 PolarHBondContact O-N 2.82Å; N441-L444 PolarHBondContact O-N 3.29Å; N441-A445 VanDerWaalsContact O-CB 3.27Å; N441-A445 WeakPolarHBondContact O-CB 3.32Å; N441-A445 PolarHBondContact O-N 3.39Å
442	D	92.3	Very high	90.7	Very high	112 Å²	112	47.1 Å²	47.1	60%	0.599	25%	0.251	S	S	*	.	H	α-helix	trans	-59.3	-44	171.5	-69.4	-20.4	0	0	0	110.4	P438 A445 E446	P438-D442 WeakPolarHBondContact O-CB 3.5Å; P438-D442 PolarHBondContact O-N 2.98Å; D442-A445 PolarHBondContact O-N 3.08Å; D442-E446 PolarHBondContact O-N 3.25Å
443	K	89.7	Confident	91	Very high	59 Å²	59	48.8 Å²	48.8	26%	0.257	26%	0.26	S	S	.	.	H	α-helix	trans	-67.2	-42.7	177.2	-171.7	57.7	174.8	175.7	0	112.8	D223 Y293 K439 F440 N441 A445 E446	D223-K443 VanDerWaalsContact OD2-CE 3.27Å; D223-K443 WeakPolarHBondContact OD2-CE 3.39Å; D223-K443 IonicContact OD2-NZ 2.72Å; D223-K443 PolarHBondContact OD2-NZ 3.39Å; Y293-K443 VanDerWaalsContact OH-CE 3.29Å; Y293-K443 WeakPolarHBondContact OH-CE 3.2Å; K439-K443 PolarHBondContact O-N 2.92Å; F440-K443 PolarHBondContact O-N 3.44Å; N441-K443 VanDerWaalsContact C-N 3.3Å; N441-K443 PolarHBondContact O-N 2.82Å; K443-A445 VanDerWaalsContact C-N 3.25Å; K443-A445 PolarHBondContact O-N 2.89Å; K443-E446 WeakPolarHBondContact CD-OE2 3.46Å; K443-E446 IonicContact NZ-OE1 2.8Å; K443-E446 IonicContact NZ-OE2 2.98Å; K443-E446 PolarHBondContact NZ-OE2 2.79Å; K443-E446 WeakPolarHBondContact O-CB 3.43Å; K443-E446 PolarHBondContact O-N 2.9Å
444	L	91.3	Very high	91.2	Very high	64 Å²	64	52.6 Å²	52.6	34%	0.335	27%	0.274	S	S	.	.	H	α-helix	trans	-68.2	-25	177.1	-70	171.9	0	0	0	112.8	T399 G400 L402 F440 N441 E446 G447	T399-L444 WeakPolarHBondContact CA-O 3.28Å; G400-L444 PolarHBondContact N-O 3.09Å; G400-L444 VanDerWaalsContact N-O 3.12Å; G400-L444 VanDerWaalsContact O-CB 3.24Å; G400-L444 WeakPolarHBondContact O-CB 3.24Å; L402-L444 HydrophobicContact CD1-CD1 4.14Å; L402-L444 HydrophobicContact CD2-CD1 4.06Å; L402-L444 HydrophobicContact CG-CD1 3.61Å; F440-L444 WeakPolarHBondContact O-CB 3.4Å; F440-L444 VanDerWaalsContact O-CG 3.32Å; F440-L444 WeakPolarHBondContact O-CG 3.26Å; F440-L444 PolarHBondContact O-N 3.33Å; N441-L444 PolarHBondContact O-N 3.29Å; L444-E446 VanDerWaalsContact C-N 3.35Å; L444-G447 PolarHBondContact O-N 3.09Å
445	A	91.1	Very high	91.5	Very high	63 Å²	63	54.3 Å²	54.3	52%	0.521	27%	0.274	S	S	.	.	H	α-helix	trans	-72.3	-25.3	173.9	0	0	0	0	0	112.9	T399 N441 D442 K443 G447	T399-A445 WeakPolarHBondContact CG2-O 3.35Å; N441-A445 VanDerWaalsContact O-CB 3.27Å; N441-A445 WeakPolarHBondContact O-CB 3.32Å; N441-A445 PolarHBondContact O-N 3.39Å; D442-A445 PolarHBondContact O-N 3.08Å; K443-A445 VanDerWaalsContact C-N 3.25Å; K443-A445 PolarHBondContact O-N 2.89Å; A445-G447 PolarHBondContact O-N 3.15Å
446	E	90.2	Very high	91.8	Very high	99 Å²	99	54 Å²	54	46%	0.463	27%	0.272	S	S	.	.	H	α-helix	trans	-60.8	-33.4	171.4	-64.5	178.4	-172.5	0	0	111.9	K397 D442 K443 L444	K397-E446 WeakPolarHBondContact CD-O 3.43Å; K397-E446 PolarHBondContact NZ-O 2.93Å; D442-E446 PolarHBondContact O-N 3.25Å; K443-E446 WeakPolarHBondContact CD-OE2 3.46Å; K443-E446 IonicContact NZ-OE1 2.8Å; K443-E446 IonicContact NZ-OE2 2.98Å; K443-E446 PolarHBondContact NZ-OE2 2.79Å; K443-E446 WeakPolarHBondContact O-CB 3.43Å; K443-E446 PolarHBondContact O-N 2.9Å; L444-E446 VanDerWaalsContact C-N 3.35Å
447	G	88.7	Confident	92.1	Very high	14 Å²	14	57.9 Å²	57.9	14%	0.144	29%	0.289	C	S	.	.			trans	79	161.3	168.6	0	0	0	0	0	116.5	I398 L444 A445	I398-G447 CarbonylContact O-C 3.58Å; I398-G447 WeakPolarHBondContact O-CA 3.36Å; L444-G447 PolarHBondContact O-N 3.09Å; A445-G447 PolarHBondContact O-N 3.15Å
448	F	88.7	Confident	92.3	Very high	19 Å²	19	57.8 Å²	57.8	8%	0.083	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	119.5	177	174.5	-98	0	0	0	110.7	I222 V228 Y230 I251 V281 V285 K397 I398	I222-F448 HydrophobicContact CD1-CD2 4.28Å; I222-F448 HydrophobicContact CD1-CE2 4.49Å; V228-F448 HydrophobicContact CB-CE2 4.06Å; V228-F448 HydrophobicContact CG1-CE2 4.33Å; V228-F448 HydrophobicContact CG2-CE2 3.81Å; V228-F448 HydrophobicContact CG2-CZ 3.96Å; Y230-F448 HydrophobicContact CE1-CZ 4.12Å; Y230-F448 AromaticContact CZ-CZ 3.8Å; Y230-F448 WeakPolarHBondContact OH-CE1 3.46Å; Y230-F448 WeakPolarHBondContact OH-CZ 3.32Å; I251-F448 HydrophobicContact CD1-CD2 4.05Å; I251-F448 HydrophobicContact CD1-CE2 3.85Å; I251-F448 HydrophobicContact CG1-CE2 4.18Å; V281-F448 HydrophobicContact CG1-CE1 4.37Å; V285-F448 HydrophobicContact CG1-CE1 4.07Å; V285-F448 HydrophobicContact CG1-CE2 3.68Å; V285-F448 HydrophobicContact CG1-CZ 3.34Å; K397-F448 CarbonylContact C-O 3.58Å; K397-F448 WeakPolarHBondContact CA-O 3.36Å; I398-F448 HydrophobicContact CB-CB 4.43Å; I398-F448 HydrophobicContact CD1-CD1 4.14Å; I398-F448 PolarHBondContact N-O 2.69Å; I398-F448 PolarHBondContact O-N 2.65Å
449	P	91.8	Very high	92.4	Very high	19 Å²	19	60.3 Å²	60.3	12%	0.123	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	133	-174.4	30.7	-33.6	0	0	0	112.5	T220 Y230 K397	T220-P449 HydrophobicContact CG2-CB 4.22Å; T220-P449 HydrophobicContact CG2-CG 3.6Å; Y230-P449 PolarHBondContact OH-O 3.43Å; K397-P449 HydrophobicContact CG-CB 4.37Å
450	L	94.1	Very high	92.6	Very high	9 Å²	9	58.6 Å²	58.6	5%	0.047	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-74.7	151.8	172.8	-72.6	-179.4	0	0	0	112.6	L30 F279 V281 F393 S396 I398 L452 L458 L472	L30-L450 HydrophobicContact CD1-CD2 4.24Å; F279-L450 HydrophobicContact CD1-CD1 4.4Å; F279-L450 HydrophobicContact CD1-CD2 4.31Å; F279-L450 HydrophobicContact CD2-CD1 3.97Å; F279-L450 HydrophobicContact CE2-CD1 4.09Å; F279-L450 HydrophobicContact CG-CD1 4.14Å; F279-L450 HydrophobicContact CG-CD2 4.39Å; F279-L450 HydrophobicContact CZ-CD1 4.36Å; V281-L450 HydrophobicContact CG2-CD2 4.3Å; F393-L450 HydrophobicContact CD2-CD1 4.46Å; F393-L450 HydrophobicContact CE2-CD1 3.41Å; F393-L450 VanDerWaalsContact CE2-CD1 3.41Å; F393-L450 HydrophobicContact CE2-CG 4.05Å; F393-L450 HydrophobicContact CZ-CD1 3.89Å; S396-L450 PolarHBondContact O-N 2.8Å; I398-L450 HydrophobicContact CD1-CD2 3.84Å; I398-L450 HydrophobicContact CG1-CD2 4.36Å; L450-L452 HydrophobicContact CB-CD2 4.22Å; L450-L452 HydrophobicContact CB-CG 4.13Å; L450-L452 PolarHBondContact O-N 3.17Å; L450-L458 HydrophobicContact CD1-CD1 3.97Å; L450-L472 HydrophobicContact CD1-CD2 3.65Å
451	P	95.2	Very high	92.7	Very high	5 Å²	5	58.3 Å²	58.3	3%	0.032	29%	0.292	C	S	.	.			trans	-74.9	89.8	174.7	30.4	-31.9	0	0	0	110.2	L30 L216 P217 Y230 F247	L30-P451 HydrophobicContact CD1-CG 4.15Å; L30-P451 HydrophobicContact CD2-CG 3.77Å; L216-P451 HydrophobicContact CD1-CB 4.3Å; L216-P451 WeakPolarHBondContact CD1-O 3.4Å; P217-P451 HydrophobicContact CG-CB 4.23Å; Y230-P451 HydrophobicContact CD1-CB 4.11Å; Y230-P451 HydrophobicContact CD1-CG 4.07Å; Y230-P451 HydrophobicContact CD2-CB 3.81Å; Y230-P451 HydrophobicContact CE1-CB 4.38Å; Y230-P451 HydrophobicContact CE1-CG 4.06Å; Y230-P451 HydrophobicContact CE2-CB 4.06Å; Y230-P451 HydrophobicContact CE2-CG 4.46Å; Y230-P451 HydrophobicContact CG-CB 3.83Å; Y230-P451 HydrophobicContact CG-CG 4.31Å; F247-P451 HydrophobicContact CD1-CB 4.23Å; F247-P451 HydrophobicContact CD1-CG 4.24Å; F247-P451 HydrophobicContact CD2-CG 4.35Å; F247-P451 HydrophobicContact CE1-CB 3.82Å; F247-P451 HydrophobicContact CE1-CG 4.03Å; F247-P451 HydrophobicContact CE2-CG 4.13Å; F247-P451 HydrophobicContact CG-CG 4.39Å; F247-P451 HydrophobicContact CZ-CB 4.1Å; F247-P451 HydrophobicContact CZ-CG 3.95Å
452	L	95.2	Very high	92.7	Very high	28 Å²	28	59 Å²	59	15%	0.147	30%	0.303	C	S	.	.			trans	-106.9	146.8	178.6	-56.9	-178.8	0	0	0	111.3	P217 F279 L450 L458	P217-L452 WeakPolarHBondContact CD-O 2.75Å; F279-L452 HydrophobicContact CE1-CD2 4.26Å; F279-L452 HydrophobicContact CE2-CD2 4.42Å; F279-L452 HydrophobicContact CZ-CD2 3.62Å; L450-L452 HydrophobicContact CB-CD2 4.22Å; L450-L452 HydrophobicContact CB-CG 4.13Å; L450-L452 PolarHBondContact O-N 3.17Å; L452-L458 HydrophobicContact CD1-CD1 4.34Å; L452-L458 HydrophobicContact CD1-CG 4.22Å; L452-L458 HydrophobicContact CD2-CD1 4.05Å; L452-L458 HydrophobicContact CD2-CD2 4.38Å; L452-L458 HydrophobicContact CD2-CG 4.29Å
453	L	95.3	Very high	92.7	Very high	44 Å²	44	56.7 Å²	56.7	23%	0.23	29%	0.29	C	S	.	.			trans	-65.2	154.5	167	-67.1	168.4	0	0	0	110.3	Y212 L213 L216 V456	Y212-L453 HydrophobicContact CE1-CD1 3.86Å; Y212-L453 WeakPolarHBondContact O-CD2 3.17Å; L213-L453 HydrophobicContact CD2-CD1 4.12Å; L213-L453 HydrophobicContact CD2-CD2 4.44Å; L213-L453 WeakPolarHBondContact O-CD2 3.06Å; L216-L453 HydrophobicContact CB-CD2 3.87Å; L216-L453 HydrophobicContact CD1-CD2 4.23Å; L216-L453 HydrophobicContact CD1-CG 4.3Å; L453-V456 HydrophobicContact CB-CG2 4.01Å; L453-V456 PolarHBondContact O-N 3.28Å
454	K	93.9	Very high	92.8	Very high	141 Å²	141	57.4 Å²	57.4	61%	0.613	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	144.6	173	-80.5	-178	-177	-177.9	0	110.5	Y212 T215 V456	Y212-K454 WeakPolarHBondContact CE2-O 3.45Å; Y212-K454 PolarHBondContact OH-O 3.18Å; T215-K454 HydrophobicContact CG2-CB 4.22Å; T215-K454 HydrophobicContact CG2-CD 3.83Å; T215-K454 HydrophobicContact CG2-CG 4.17Å; T215-K454 PolarHBondContact OG1-N 2.97Å; T215-K454 VanDerWaalsContact OG1-N 3.09Å; K454-V456 PolarHBondContact O-N 2.7Å
455	R	93.3	Very high	93	Very high	121 Å²	121	55.8 Å²	55.8	46%	0.457	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	21.2	179	-55.7	179.4	-72.8	-166.5	-2.9	114.4	Y478 M479	R455-Y478 HydrophobicContact CB-CD2 4.2Å; R455-Y478 HydrophobicContact CB-CE2 3.88Å; R455-Y478 PolarHBondContact NE-OH 3.1Å; R455-Y478 PolarHBondContact NH1-OH 3.06Å; R455-Y478 PolarHBondContact NH2-OH 3.38Å; R455-Y478 WeakPolarHBondContact O-CA 3.42Å; R455-M479 HydrophobicContact CB-CB 4.21Å; R455-M479 PolarHBondContact O-N 3.01Å
456	V	94.4	Very high	93.2	Very high	29 Å²	29	55.3 Å²	55.3	18%	0.176	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	132.4	170.5	165.3	0	0	0	0	110.3	L453 K454 L458 V476	L453-V456 HydrophobicContact CB-CG2 4.01Å; L453-V456 PolarHBondContact O-N 3.28Å; K454-V456 PolarHBondContact O-N 2.7Å; V456-L458 HydrophobicContact CG1-CD2 4.34Å; V456-V476 HydrophobicContact CG1-CG1 3.83Å; V456-V476 HydrophobicContact CG2-CG1 4.36Å
457	Q	93.9	Very high	93.4	Very high	100 Å²	100	57.1 Å²	57.1	47%	0.467	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	146.2	167.6	-67.2	-171.8	-2.3	0	0	110.5	Q477 M479	Q457-Q477 PolarHBondContact N-O 3.18Å; Q457-Q477 PolarHBondContact O-N 3.43Å; Q457-M479 HydrophobicContact CG-CG 4.04Å; Q457-M479 HydrophobicContact CG-SD 4.28Å
458	L	94.8	Very high	93.7	Very high	13 Å²	13	58.6 Å²	58.6	7%	0.068	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	139.1	177.3	-59.6	-174.4	0	0	0	110.4	V277 F279 F393 L450 L452 V456 L461 A474 N475 V476	V277-L458 HydrophobicContact CG1-CD2 4.02Å; F279-L458 HydrophobicContact CE2-CD1 3.73Å; F279-L458 HydrophobicContact CE2-CD2 4.46Å; F279-L458 HydrophobicContact CZ-CD1 4.33Å; F393-L458 HydrophobicContact CE1-CB 4.42Å; F393-L458 HydrophobicContact CE1-CD1 4.46Å; F393-L458 HydrophobicContact CZ-CD1 3.89Å; L450-L458 HydrophobicContact CD1-CD1 3.97Å; L452-L458 HydrophobicContact CD1-CD1 4.34Å; L452-L458 HydrophobicContact CD1-CG 4.22Å; L452-L458 HydrophobicContact CD2-CD1 4.05Å; L452-L458 HydrophobicContact CD2-CD2 4.38Å; L452-L458 HydrophobicContact CD2-CG 4.29Å; V456-L458 HydrophobicContact CG1-CD2 4.34Å; L458-L461 HydrophobicContact CB-CD2 4.03Å; L458-A474 HydrophobicContact CB-CB 4.05Å; L458-A474 HydrophobicContact CD1-CB 4.23Å; L458-A474 HydrophobicContact CD2-CB 4.1Å; L458-A474 HydrophobicContact CG-CB 4.36Å; L458-N475 WeakPolarHBondContact CA-O 3.48Å; L458-V476 HydrophobicContact CD2-CG2 3.93Å
459	Y	94.4	Very high	94	Very high	104 Å²	104	58.3 Å²	58.3	41%	0.408	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	168.8	176.1	70.8	-85.5	0	0	0	111.7	N475 V476 Q477	Y459-N475 HydrophobicContact CD1-CB 4.07Å; Y459-N475 HydrophobicContact CD2-CB 4.06Å; Y459-N475 HydrophobicContact CE1-CB 3.58Å; Y459-N475 HydrophobicContact CE2-CB 3.57Å; Y459-N475 HydrophobicContact CG-CB 4.29Å; Y459-N475 PolarHBondContact N-O 2.85Å; Y459-N475 PolarHBondContact O-N 3.09Å; Y459-V476 WeakPolarHBondContact CE1-O 3.2Å; Y459-Q477 HydrophobicContact CD1-CB 4.12Å; Y459-Q477 HydrophobicContact CE1-CB 3.99Å
460	D	93.9	Very high	94.2	Very high	95 Å²	95	57.4 Å²	57.4	51%	0.508	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.1	58.8	179.8	-177.9	24	0	0	0	111.7	K275 N475	K275-D460 PolarHBondContact NZ-O 3.4Å; K275-D460 IonicContact NZ-OD1 2.97Å; K275-D460 PolarHBondContact NZ-OD1 2.92Å; K275-D460 IonicContact NZ-OD2 2.67Å; K275-D460 PolarHBondContact NZ-OD2 2.95Å; D460-N475 PolarHBondContact OD2-ND2 2.92Å
461	L	92.1	Very high	94.2	Very high	70 Å²	70	57 Å²	57	37%	0.366	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	136.8	-168.7	-57.7	156.9	0	0	0	111.1	F393 L458 L472 G473 A474	F393-L461 HydrophobicContact CB-CD1 4.27Å; F393-L461 HydrophobicContact CD1-CD1 3.25Å; F393-L461 HydrophobicContact CD1-CD2 3.72Å; F393-L461 HydrophobicContact CD1-CG 4.09Å; F393-L461 HydrophobicContact CE1-CD1 3.89Å; F393-L461 HydrophobicContact CE1-CD2 3.72Å; F393-L461 HydrophobicContact CE1-CG 4.46Å; F393-L461 HydrophobicContact CG-CD1 4.1Å; F393-L461 HydrophobicContact CG-CD2 4.39Å; L458-L461 HydrophobicContact CB-CD2 4.03Å; L461-L472 HydrophobicContact CD2-CD1 4.38Å; L461-G473 CarbonylContact C-O 3.53Å; L461-G473 WeakPolarHBondContact CA-O 3.47Å; L461-A474 HydrophobicContact CD2-CB 3.77Å
462	G	92.1	Very high	94.2	Very high	30 Å²	30	56.9 Å²	56.9	31%	0.309	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	124.2	169.2	0	0	0	0	0	109.8	L472 G473	G462-L472 CarbonylContact O-C 3.56Å; G462-L472 WeakPolarHBondContact O-CA 3.48Å; G462-G473 PolarHBondContact N-O 3.45Å; G462-G473 PolarHBondContact O-N 3.26Å
463	L	91.8	Very high	94.2	Very high	65 Å²	65	55.8 Å²	55.8	34%	0.34	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129.7	-179.7	-174.4	152.4	0	0	0	109.6	L391 I465 L470 L472	L391-L463 HydrophobicContact CB-CD1 4.35Å; L463-I465 HydrophobicContact CD2-CG1 4.17Å; L463-L470 HydrophobicContact CD1-CD1 3.95Å; L463-L470 HydrophobicContact CD1-CD2 4.43Å; L463-L470 HydrophobicContact CD2-CD1 3.67Å; L463-L470 HydrophobicContact CG-CD1 3.65Å; L463-L472 HydrophobicContact CB-CD1 4.34Å
464	Q	93.7	Very high	94.3	Very high	73 Å²	73	53.7 Å²	53.7	34%	0.341	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	138.9	175.6	-57.8	176.6	32.8	0	0	109.3	E272 H466 F471	E272-Q464 PolarHBondContact OE1-NE2 3.45Å; Q464-H466 PolarHBondContact OE1-NE2 3.1Å; Q464-F471 HydrophobicContact CB-CB 4.36Å; Q464-F471 PolarHBondContact N-O 3.06Å; Q464-F471 PolarHBondContact O-N 2.99Å
465	I	94.3	Very high	94.4	Very high	31 Å²	31	47.3 Å²	47.3	16%	0.159	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	115.8	175	-60.4	155.7	0	0	0	107.1	F351 S352 P353 G354 L356 L463 L470	F351-I465 HydrophobicContact CD1-CG2 4.01Å; S352-I465 WeakPolarHBondContact O-CG2 3.45Å; P353-I465 WeakPolarHBondContact CA-O 3.47Å; G354-I465 PolarHBondContact N-O 3.33Å; L356-I465 HydrophobicContact CD1-CD1 4.02Å; L356-I465 HydrophobicContact CD1-CG1 4.37Å; L356-I465 HydrophobicContact CD2-CD1 4.5Å; L356-I465 HydrophobicContact CD2-CG1 4.44Å; L356-I465 HydrophobicContact CD2-CG2 3.58Å; L356-I465 HydrophobicContact CG-CD1 3.85Å; L356-I465 HydrophobicContact CG-CG1 4.28Å; L356-I465 HydrophobicContact CG-CG2 4.1Å; L463-I465 HydrophobicContact CD2-CG1 4.17Å; I465-L470 HydrophobicContact CG1-CD1 4.15Å
466	H	94.6	Very high	94.6	Very high	53 Å²	53	42.9 Å²	42.9	25%	0.245	22%	0.217	C	C	.	.			trans	-100.5	175.5	174.6	-75.7	-95.1	0	0	0	109.7	Q464 D468 F469	Q464-H466 PolarHBondContact OE1-NE2 3.1Å; H466-D468 PolarHBondContact O-N 2.78Å; H466-F469 HydrophobicContact CB-CD1 4.1Å; H466-F469 HydrophobicContact CB-CD2 4.23Å; H466-F469 HydrophobicContact CB-CE1 3.66Å; H466-F469 HydrophobicContact CB-CE2 3.83Å; H466-F469 HydrophobicContact CB-CG 4.35Å; H466-F469 HydrophobicContact CB-CZ 3.52Å; H466-F469 AromaticContact CG-CZ 3.78Å; H466-F469 PolarHBondContact N-O 3.31Å
467	K	94.6	Very high	94.6	Very high	136 Å²	136	46 Å²	46	59%	0.591	23%	0.23	S	C	*	.	S	Bend	trans	-65.1	129.5	169.5	-170.7	-171.9	168.1	-175	0	108.7	F469	K467-F469 WeakPolarHBondContact O-CD1 3.5Å; K467-F469 WeakPolarHBondContact O-CE1 3.44Å; K467-F469 PolarHBondContact O-N 2.78Å; K467-F469 VanDerWaalsContact O-N 3.1Å
468	D	94.8	Very high	94.7	Very high	46 Å²	46	43.9 Å²	43.9	25%	0.246	22%	0.218	C	C	.	.	S	Bend	trans	67	-4.6	176.2	-44.5	-37.5	0	0	0	116.5	P265 S282 D283 F351 H466	P265-D468 HydrophobicContact CB-CB 3.98Å; P265-D468 HydrophobicContact CG-CB 4.03Å; S282-D468 WeakPolarHBondContact CA-O 3.34Å; D283-D468 PolarHBondContact N-O 2.57Å; F351-D468 PolarHBondContact O-N 2.87Å; H466-D468 PolarHBondContact O-N 2.78Å
469	F	95.7	Very high	94.6	Very high	13 Å²	13	46.8 Å²	46.8	6%	0.057	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	153.8	177.3	67.8	-82.6	0	0	0	115.2	I267 A280 V281 H466 K467 F471	I267-F469 HydrophobicContact CG2-CD1 4.11Å; I267-F469 HydrophobicContact CG2-CD2 4.22Å; I267-F469 HydrophobicContact CG2-CE1 4.24Å; I267-F469 HydrophobicContact CG2-CE2 4.32Å; I267-F469 HydrophobicContact CG2-CG 4.12Å; I267-F469 HydrophobicContact CG2-CZ 4.34Å; A280-F469 HydrophobicContact CB-CD2 3.67Å; A280-F469 HydrophobicContact CB-CE2 4.15Å; A280-F469 HydrophobicContact CB-CG 4.42Å; V281-F469 CarbonylContact O-C 3.59Å; V281-F469 WeakPolarHBondContact O-CA 3.49Å; H466-F469 HydrophobicContact CB-CD1 4.1Å; H466-F469 HydrophobicContact CB-CD2 4.23Å; H466-F469 HydrophobicContact CB-CE1 3.66Å; H466-F469 HydrophobicContact CB-CE2 3.83Å; H466-F469 HydrophobicContact CB-CG 4.35Å; H466-F469 HydrophobicContact CB-CZ 3.52Å; H466-F469 AromaticContact CG-CZ 3.78Å; H466-F469 PolarHBondContact N-O 3.31Å; K467-F469 WeakPolarHBondContact O-CD1 3.5Å; K467-F469 WeakPolarHBondContact O-CE1 3.44Å; K467-F469 PolarHBondContact O-N 2.78Å; K467-F469 VanDerWaalsContact O-N 3.1Å; F469-F471 HydrophobicContact CD2-CB 4.23Å; F469-F471 HydrophobicContact CE2-CB 3.9Å; F469-F471 HydrophobicContact CE2-CD2 4.11Å; F469-F471 HydrophobicContact CE2-CG 4.32Å
470	L	95.3	Very high	94.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	131.9	165.5	-176.2	66.6	0	0	0	109.6	A280 V281 F351 L391 I398 L463 I465	A280-L470 CarbonylContact C-O 3.49Å; A280-L470 VanDerWaalsContact CA-O 3.22Å; A280-L470 WeakPolarHBondContact CA-O 3.42Å; V281-L470 HydrophobicContact CB-CB 4.27Å; V281-L470 PolarHBondContact N-O 2.86Å; V281-L470 PolarHBondContact O-N 2.83Å; F351-L470 HydrophobicContact CE1-CB 3.89Å; L391-L470 HydrophobicContact CD1-CD1 4.09Å; L391-L470 HydrophobicContact CD1-CD2 3.99Å; L391-L470 HydrophobicContact CD1-CG 4.5Å; I398-L470 HydrophobicContact CD1-CD2 3.77Å; I398-L470 HydrophobicContact CG1-CD2 4.27Å; I398-L470 HydrophobicContact CG2-CD2 4.15Å; L463-L470 HydrophobicContact CD1-CD1 3.95Å; L463-L470 HydrophobicContact CD1-CD2 4.43Å; L463-L470 HydrophobicContact CD2-CD1 3.67Å; L463-L470 HydrophobicContact CG-CD1 3.65Å; I465-L470 HydrophobicContact CG1-CD1 4.15Å
471	F	95.7	Very high	92.7	Very high	1 Å²	1	54 Å²	54	0%	0.004	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	118	173.6	-168.9	-118.1	0	0	0	110.6	L269 P270 E272 Y278 F279 A280 Q464 F469	L269-F471 HydrophobicContact CD2-CD2 4.16Å; L269-F471 HydrophobicContact CD2-CE2 3.96Å; P270-F471 HydrophobicContact CB-CE1 4.36Å; P270-F471 HydrophobicContact CB-CZ 4.43Å; P270-F471 HydrophobicContact CG-CD1 4.32Å; P270-F471 HydrophobicContact CG-CE1 4.2Å; P270-F471 HydrophobicContact CG-CZ 4.34Å; E272-F471 HydrophobicContact CB-CE1 4.45Å; E272-F471 HydrophobicContact CG-CE1 4.26Å; Y278-F471 HydrophobicContact CD1-CD1 4.34Å; Y278-F471 AromaticContact CD1-CE1 3.41Å; Y278-F471 HydrophobicContact CD1-CE1 3.41Å; Y278-F471 VanDerWaalsContact CD1-CE1 3.41Å; Y278-F471 AromaticContact CD1-CE2 3.92Å; Y278-F471 HydrophobicContact CD1-CE2 3.92Å; Y278-F471 AromaticContact CD1-CZ 3.16Å; Y278-F471 HydrophobicContact CD1-CZ 3.16Å; Y278-F471 AromaticContact CE1-CE1 3.82Å; Y278-F471 HydrophobicContact CE1-CE1 3.82Å; Y278-F471 AromaticContact CE1-CZ 3.88Å; Y278-F471 HydrophobicContact CE1-CZ 3.88Å; Y278-F471 HydrophobicContact CG-CE1 4.27Å; Y278-F471 HydrophobicContact CG-CE2 4.02Å; Y278-F471 AromaticContact CG-CZ 3.56Å; Y278-F471 HydrophobicContact CG-CZ 3.56Å; F279-F471 CarbonylContact O-C 3.58Å; F279-F471 WeakPolarHBondContact O-CA 3.42Å; A280-F471 HydrophobicContact CB-CD2 4.48Å; Q464-F471 HydrophobicContact CB-CB 4.36Å; Q464-F471 PolarHBondContact N-O 3.06Å; Q464-F471 PolarHBondContact O-N 2.99Å; F469-F471 HydrophobicContact CD2-CB 4.23Å; F469-F471 HydrophobicContact CE2-CB 3.9Å; F469-F471 HydrophobicContact CE2-CD2 4.11Å; F469-F471 HydrophobicContact CE2-CG 4.32Å
472	L	94.9	Very high	92.7	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	111.5	-177.2	177.4	75.3	0	0	0	110.1	Y278 F279 F393 L450 L461 G462 L463	Y278-L472 CarbonylContact C-O 3.6Å; Y278-L472 VanDerWaalsContact CA-O 3.23Å; Y278-L472 WeakPolarHBondContact CA-O 3.46Å; F279-L472 HydrophobicContact CB-CB 4.36Å; F279-L472 HydrophobicContact CD2-CD2 4.23Å; F279-L472 PolarHBondContact N-O 3.19Å; F279-L472 PolarHBondContact O-N 3.31Å; F393-L472 HydrophobicContact CB-CD1 4.44Å; F393-L472 HydrophobicContact CD2-CD1 4.39Å; F393-L472 HydrophobicContact CD2-CD2 3.61Å; F393-L472 HydrophobicContact CE2-CD2 3.65Å; F393-L472 HydrophobicContact CG-CD1 4.41Å; F393-L472 HydrophobicContact CG-CD2 4.32Å; F393-L472 HydrophobicContact CZ-CD2 4.32Å; L450-L472 HydrophobicContact CD1-CD2 3.65Å; L461-L472 HydrophobicContact CD2-CD1 4.38Å; G462-L472 CarbonylContact O-C 3.56Å; G462-L472 WeakPolarHBondContact O-CA 3.48Å; L463-L472 HydrophobicContact CB-CD1 4.34Å
473	G	95.7	Very high	92.8	Very high	4 Å²	4	54.4 Å²	54.4	4%	0.041	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	140.7	170.8	0	0	0	0	0	112.2	V277 L461 G462	V277-G473 WeakPolarHBondContact O-CA 3.36Å; L461-G473 CarbonylContact C-O 3.53Å; L461-G473 WeakPolarHBondContact CA-O 3.47Å; G462-G473 PolarHBondContact N-O 3.45Å; G462-G473 PolarHBondContact O-N 3.26Å
474	A	96.1	Very high	92.8	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	153.6	-179.9	0	0	0	0	0	112.6	K275 M276 V277 L458 L461	K275-A474 WeakPolarHBondContact CB-O 3.45Å; M276-A474 PolarHBondContact N-O 3.02Å; M276-A474 VanDerWaalsContact N-O 3.13Å; V277-A474 HydrophobicContact CG1-CB 4.13Å; V277-A474 PolarHBondContact N-O 3.43Å; V277-A474 PolarHBondContact O-N 3.05Å; L458-A474 HydrophobicContact CB-CB 4.05Å; L458-A474 HydrophobicContact CD1-CB 4.23Å; L458-A474 HydrophobicContact CD2-CB 4.1Å; L458-A474 HydrophobicContact CG-CB 4.36Å; L461-A474 HydrophobicContact CD2-CB 3.77Å
475	N	97	Very high	92.8	Very high	8 Å²	8	52.7 Å²	52.7	4%	0.043	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	156	160.8	-64.2	-44.9	0	0	0	110	M276 L458 Y459 D460	M276-N475 HydrophobicContact CG-CB 4.42Å; M276-N475 PolarHBondContact N-OD1 3.41Å; M276-N475 HydrophobicContact SD-CB 4.21Å; L458-N475 WeakPolarHBondContact CA-O 3.48Å; Y459-N475 HydrophobicContact CD1-CB 4.07Å; Y459-N475 HydrophobicContact CD2-CB 4.06Å; Y459-N475 HydrophobicContact CE1-CB 3.58Å; Y459-N475 HydrophobicContact CE2-CB 3.57Å; Y459-N475 HydrophobicContact CG-CB 4.29Å; Y459-N475 PolarHBondContact N-O 2.85Å; Y459-N475 PolarHBondContact O-N 3.09Å; D460-N475 PolarHBondContact OD2-ND2 2.92Å
476	V	96.1	Very high	92.7	Very high	28 Å²	28	54.1 Å²	54.1	17%	0.17	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	138.7	-175.3	173.3	0	0	0	0	109.9	Y41 M276 V277 V456 L458 Y459	Y41-V476 HydrophobicContact CD1-CB 4.45Å; Y41-V476 HydrophobicContact CD1-CG1 4.34Å; Y41-V476 HydrophobicContact CE1-CB 4.49Å; Y41-V476 HydrophobicContact CE1-CG1 4.08Å; M276-V476 HydrophobicContact CB-CG2 4.31Å; M276-V476 HydrophobicContact SD-CB 4.07Å; M276-V476 PolarHBondContact SD-N 2.96Å; V277-V476 HydrophobicContact CB-CG2 4.24Å; V277-V476 HydrophobicContact CG1-CG2 3.64Å; V456-V476 HydrophobicContact CG1-CG1 3.83Å; V456-V476 HydrophobicContact CG2-CG1 4.36Å; L458-V476 HydrophobicContact CD2-CG2 3.93Å; Y459-V476 WeakPolarHBondContact CE1-O 3.2Å
477	Q	95.8	Very high	92.6	Very high	95 Å²	95	54.1 Å²	54.1	44%	0.444	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	125.9	168.3	-174	173.6	21.6	0	0	109.8	Q457 Y459 M479	Q457-Q477 PolarHBondContact N-O 3.18Å; Q457-Q477 PolarHBondContact O-N 3.43Å; Y459-Q477 HydrophobicContact CD1-CB 4.12Å; Y459-Q477 HydrophobicContact CE1-CB 3.99Å; Q477-M479 HydrophobicContact CG-SD 4.38Å
478	Y	95.4	Very high	92.4	Very high	55 Å²	55	48.3 Å²	48.3	22%	0.216	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	125.1	171.6	-178.6	-110	0	0	0	110.6	Y41 E45 Y212 R455 R480	Y41-Y478 PolarHBondContact OH-N 3.22Å; E45-Y478 HydrophobicContact CG-CD1 4.4Å; Y212-Y478 AromaticContact CE2-CE2 3.95Å; Y212-Y478 HydrophobicContact CE2-CE2 3.95Å; Y212-Y478 AromaticContact CZ-CE2 3.89Å; Y212-Y478 WeakPolarHBondContact OH-CE2 3.33Å; R455-Y478 HydrophobicContact CB-CD2 4.2Å; R455-Y478 HydrophobicContact CB-CE2 3.88Å; R455-Y478 PolarHBondContact NE-OH 3.1Å; R455-Y478 PolarHBondContact NH1-OH 3.06Å; R455-Y478 PolarHBondContact NH2-OH 3.38Å; R455-Y478 WeakPolarHBondContact O-CA 3.42Å; Y478-R480 HydrophobicContact CD1-CG 4.09Å; Y478-R480 HydrophobicContact CE1-CG 4.26Å; Y478-R480 PolarHBondContact O-N 3.11Å
479	M	93.6	Very high	92.2	Very high	74 Å²	74	48.5 Å²	48.5	37%	0.365	24%	0.239	S	C	.	.			trans	-88.1	103.7	-177.5	-59.1	-62.1	-70.7	0	0	110.1	R455 Q457 Q477	R455-M479 HydrophobicContact CB-CB 4.21Å; R455-M479 PolarHBondContact O-N 3.01Å; Q457-M479 HydrophobicContact CG-CG 4.04Å; Q457-M479 HydrophobicContact CG-SD 4.28Å; Q477-M479 HydrophobicContact CG-SD 4.38Å
480	R	86.3	Confident	92	Very high	161 Å²	161	51.4 Å²	51.4	61%	0.608	25%	0.254	S	S	*	.			trans	-72.7	142.3	174.2	-58.5	-176.1	-172.3	164.2	10.6	110.1	E45 L48 Y478	E45-R480 IonicContact OE1-CZ 2.79Å; E45-R480 IonicContact OE1-NE 3.31Å; E45-R480 IonicContact OE1-NH2 2.79Å; E45-R480 PolarHBondContact OE1-NH2 3.42Å; E45-R480 IonicContact OE2-CZ 3Å; E45-R480 IonicContact OE2-NE 2.81Å; E45-R480 PolarHBondContact OE2-NE 3.48Å; E45-R480 IonicContact OE2-NH2 3.9Å; E45-R480 PolarHBondContact OE2-NH2 3.45Å; L48-R480 VanDerWaalsContact CD1-CZ 3.4Å; Y478-R480 HydrophobicContact CD1-CG 4.09Å; Y478-R480 HydrophobicContact CE1-CG 4.26Å; Y478-R480 PolarHBondContact O-N 3.11Å
481	V	61.6	Low	91.7	Very high	189 Å²	189	56.1 Å²	56.1	100%	1.145	28%	0.277	S	S	*	.			trans	-103.1	0	176.9	-177.3	0	0	0	0	109.2

Retrieved 481 of 481 residues in 224.1 ms (Link to these results)

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