A0A087XQX3_POEFO Loading...

Chitobiosyldiphosphodolichol beta-mannosyltransferase

Mannosyltransferase that operates in the biosynthetic pathway of dolichol-linked oligosaccharides, the glycan precursors employed in protein asparagine (N)-glycosylation. The assembly of dolichol-linked oligosaccharides begins on the cytosolic side of the endoplasmic reticulum membrane and finishes in its lumen. The sequential addition of sugars to dolichol pyrophosphate produces dolichol-linked oligosaccharides containing fourteen sugars, including two GlcNAcs, nine mannoses and three glucoses. Once assembled, the oligosaccharide is transferred from the lipid to nascent proteins by oligosaccharyltransferases. Catalyzes, on the cytoplasmic face of the endoplasmic reticulum, the addition of the first mannose residues to the dolichol-linked oligosaccharide chain, to produce Man1GlcNAc(2)-PP-dolichol core oligosaccharide. Man1GlcNAc(2)-PP-dolichol is a substrate for ALG2, the following enzyme in the biosynthetic pathway.

AlphaFold DB , UniProt , Accession A0A087XQX3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 492 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	27.2	Very low	41.1	Very low	246 Å²	246	91.4 Å²	91.4	100%	1.212	55%	0.55	S	S	*	*				0	118.6	0	-75.1	172.1	-165.5	0	0	107.7
2	V	27.2	Very low	41.9	Very low	112 Å²	112	87 Å²	87	68%	0.679	53%	0.527	S	S	*	.			trans	-72.9	131	-179.9	178.7	0	0	0	0	108.2	C4	V2-C4 PolarHBondContact O-N 3.49Å
3	P	34.5	Very low	42.7	Very low	86 Å²	86	84.1 Å²	84.1	56%	0.558	51%	0.509	S	S	*	.			trans	-69.4	120	171.2	19.1	-13.5	0	0	0	108.2	G5	P3-G5 PolarHBondContact O-N 3.3Å
4	C	37.3	Very low	43.6	Very low	102 Å²	102	89 Å²	89	69%	0.689	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-3.3	-177	-153.3	0	0	0	0	114.5	V2 V8	V2-C4 PolarHBondContact O-N 3.49Å; C4-V8 WeakPolarHBondContact O-CG2 3.39Å
5	G	40.5	Very low	44.1	Very low	50 Å²	50	88.1 Å²	88.1	52%	0.515	52%	0.522	S	S	.	.	H	α-helix	trans	-77	-35	-174.4	0	0	0	0	0	115.7	P3 A9	P3-G5 PolarHBondContact O-N 3.3Å; G5-A9 PolarHBondContact O-N 3.35Å
6	S	45.2	Very low	44.8	Very low	33 Å²	33	83.7 Å²	83.7	23%	0.231	50%	0.495	C	S	.	.	H	α-helix	trans	-73.5	-39.3	-171.9	-54.7	0	0	0	0	112.9	A9 L10 L147	S6-A9 PolarHBondContact O-N 3.25Å; S6-L10 PolarHBondContact O-N 3.1Å; S6-L10 VanDerWaalsContact O-N 3.15Å; S6-L147 PolarHBondContact OG-O 3.44Å; S6-L147 VanDerWaalsContact OG-O 3.07Å
7	T	45.2	Very low	45.6	Very low	73 Å²	73	83.7 Å²	83.7	45%	0.448	50%	0.496	S	S	.	.	H	α-helix	trans	-67.9	-40	176.9	-14.8	0	0	0	0	111.1	L10 L11	T7-L10 PolarHBondContact O-N 3.02Å; T7-L11 HydrophobicContact CG2-CD1 4.48Å; T7-L11 WeakPolarHBondContact O-CB 3.45Å; T7-L11 WeakPolarHBondContact O-CD1 3.31Å; T7-L11 VanDerWaalsContact O-CG 3.29Å; T7-L11 WeakPolarHBondContact O-CG 3.25Å; T7-L11 PolarHBondContact O-N 2.74Å
8	V	49.3	Very low	46.5	Very low	81 Å²	81	87.1 Å²	87.1	49%	0.491	50%	0.504	S	S	.	.	H	α-helix	trans	-65.1	-41.4	177.1	175.2	0	0	0	0	110.5	C4 S12	C4-V8 WeakPolarHBondContact O-CG2 3.39Å; V8-S12 VanDerWaalsContact O-CB 3.28Å; V8-S12 WeakPolarHBondContact O-CB 3.42Å; V8-S12 PolarHBondContact O-N 3.34Å; V8-S12 PolarHBondContact O-OG 2.85Å
9	A	48	Very low	46.8	Very low	22 Å²	22	85.3 Å²	85.3	18%	0.182	50%	0.5	C	S	.	.	H	α-helix	trans	-64.4	-42.5	177.1	0	0	0	0	0	112.7	G5 S6 S12 V13	G5-A9 PolarHBondContact O-N 3.35Å; S6-A9 PolarHBondContact O-N 3.25Å; A9-S12 WeakPolarHBondContact O-CB 3.16Å; A9-S12 PolarHBondContact O-N 3.39Å; A9-V13 WeakPolarHBondContact O-CG2 3.49Å; A9-V13 PolarHBondContact O-N 3.09Å; A9-V13 VanDerWaalsContact O-N 3.07Å
10	L	47.8	Very low	47.2	Very low	92 Å²	92	82.8 Å²	82.8	48%	0.482	49%	0.486	S	S	.	.	H	α-helix	trans	-66.8	-42.6	178.8	-138.8	101.6	0	0	0	112	S6 T7 S12 V13 F14 L147	S6-L10 PolarHBondContact O-N 3.1Å; S6-L10 VanDerWaalsContact O-N 3.15Å; T7-L10 PolarHBondContact O-N 3.02Å; L10-S12 VanDerWaalsContact C-N 3.34Å; L10-V13 PolarHBondContact O-N 3.36Å; L10-F14 PolarHBondContact O-N 3.3Å; L10-F14 VanDerWaalsContact O-N 3.14Å; L10-L147 HydrophobicContact CD1-CD1 3.78Å
11	L	49.5	Very low	47.6	Very low	108 Å²	108	84.9 Å²	84.9	57%	0.565	49%	0.49	S	S	*	.	H	α-helix	trans	-64.6	-38.9	174.4	-74.4	163.7	0	0	0	111.4	T7 V13 F14 S15	T7-L11 HydrophobicContact CG2-CD1 4.48Å; T7-L11 WeakPolarHBondContact O-CB 3.45Å; T7-L11 WeakPolarHBondContact O-CD1 3.31Å; T7-L11 VanDerWaalsContact O-CG 3.29Å; T7-L11 WeakPolarHBondContact O-CG 3.25Å; T7-L11 PolarHBondContact O-N 2.74Å; L11-V13 PolarHBondContact O-N 3.33Å; L11-F14 PolarHBondContact O-N 3.44Å; L11-S15 WeakPolarHBondContact O-CB 3.27Å; L11-S15 PolarHBondContact O-N 2.7Å; L11-S15 PolarHBondContact O-OG 3.48Å; L11-S15 VanDerWaalsContact O-OG 3.05Å
12	S	51.3	Low	49	Very low	39 Å²	39	76.2 Å²	76.2	27%	0.273	45%	0.45	S	S	.	.	H	α-helix	trans	-61.8	-43.8	177	-57.5	0	0	0	0	111.7	V8 A9 L10 S15 V16	V8-S12 VanDerWaalsContact O-CB 3.28Å; V8-S12 WeakPolarHBondContact O-CB 3.42Å; V8-S12 PolarHBondContact O-N 3.34Å; V8-S12 PolarHBondContact O-OG 2.85Å; A9-S12 WeakPolarHBondContact O-CB 3.16Å; A9-S12 PolarHBondContact O-N 3.39Å; L10-S12 VanDerWaalsContact C-N 3.34Å; S12-S15 PolarHBondContact O-N 3.24Å; S12-V16 WeakPolarHBondContact O-CB 3.24Å; S12-V16 WeakPolarHBondContact O-CG2 3.32Å; S12-V16 PolarHBondContact O-N 2.85Å
13	V	52.3	Low	50.1	Low	49 Å²	49	73.2 Å²	73.2	30%	0.297	43%	0.434	S	S	.	.	H	α-helix	trans	-64.8	-44.1	177.6	173.5	0	0	0	0	110.8	A9 L10 L11 V16 V17 L45 C48	A9-V13 WeakPolarHBondContact O-CG2 3.49Å; A9-V13 PolarHBondContact O-N 3.09Å; A9-V13 VanDerWaalsContact O-N 3.07Å; L10-V13 PolarHBondContact O-N 3.36Å; L11-V13 PolarHBondContact O-N 3.33Å; V13-V16 PolarHBondContact O-N 3.23Å; V13-V17 HydrophobicContact CG1-CG2 4.49Å; V13-V17 VanDerWaalsContact O-CG2 3.28Å; V13-V17 WeakPolarHBondContact O-CG2 3.26Å; V13-V17 PolarHBondContact O-N 2.85Å; V13-L45 HydrophobicContact CG1-CD2 4.23Å; V13-L45 HydrophobicContact CG2-CD2 4.27Å; V13-C48 HydrophobicContact CG2-CB 4.5Å
14	F	55.2	Low	51	Low	153 Å²	153	73.6 Å²	73.6	67%	0.671	44%	0.438	S	S	*	.	H	α-helix	trans	-62.9	-42.7	175.9	-109.7	-84.9	0	0	0	112.5	L10 L11 V17 F18	L10-F14 PolarHBondContact O-N 3.3Å; L10-F14 VanDerWaalsContact O-N 3.14Å; L11-F14 PolarHBondContact O-N 3.44Å; F14-V17 PolarHBondContact O-N 3.44Å; F14-F18 VanDerWaalsContact O-CB 3.23Å; F14-F18 WeakPolarHBondContact O-CB 3.2Å; F14-F18 PolarHBondContact O-N 2.75Å
15	S	51.9	Low	51.8	Low	76 Å²	76	76.3 Å²	76.3	53%	0.531	44%	0.438	S	S	.	.	H	α-helix	trans	-65.8	-37.1	177.2	-65.6	0	0	0	0	112.6	L11 S12 A19	L11-S15 WeakPolarHBondContact O-CB 3.27Å; L11-S15 PolarHBondContact O-N 2.7Å; L11-S15 PolarHBondContact O-OG 3.48Å; L11-S15 VanDerWaalsContact O-OG 3.05Å; S12-S15 PolarHBondContact O-N 3.24Å; S15-A19 VanDerWaalsContact O-CB 3.23Å; S15-A19 WeakPolarHBondContact O-CB 3.2Å; S15-A19 PolarHBondContact O-N 2.86Å
16	V	54.9	Low	52.4	Low	17 Å²	17	79.2 Å²	79.2	10%	0.103	45%	0.445	C	S	.	.	H	α-helix	trans	-69.4	-45.1	176.1	169.6	0	0	0	0	111.2	S12 V13 F18 A19 V20 A41 I44	S12-V16 WeakPolarHBondContact O-CB 3.24Å; S12-V16 WeakPolarHBondContact O-CG2 3.32Å; S12-V16 PolarHBondContact O-N 2.85Å; V13-V16 PolarHBondContact O-N 3.23Å; V16-F18 VanDerWaalsContact C-N 3.31Å; V16-F18 PolarHBondContact O-N 3.49Å; V16-A19 PolarHBondContact O-N 3.37Å; V16-V20 VanDerWaalsContact O-CG2 3.29Å; V16-V20 WeakPolarHBondContact O-CG2 3.41Å; V16-V20 PolarHBondContact O-N 2.86Å; V16-A41 HydrophobicContact CG1-CB 3.46Å; V16-A41 VanDerWaalsContact CG1-CB 3.46Å; V16-I44 HydrophobicContact CG2-CB 4.04Å; V16-I44 HydrophobicContact CG2-CD1 3.75Å; V16-I44 HydrophobicContact CG2-CG2 3.68Å
17	V	58.4	Low	52.4	Low	84 Å²	84	81 Å²	81	51%	0.509	46%	0.462	S	S	.	.	H	α-helix	trans	-62	-42.1	176	172.4	0	0	0	0	110.6	V13 F14 V20 F21	V13-V17 HydrophobicContact CG1-CG2 4.49Å; V13-V17 VanDerWaalsContact O-CG2 3.28Å; V13-V17 WeakPolarHBondContact O-CG2 3.26Å; V13-V17 PolarHBondContact O-N 2.85Å; F14-V17 PolarHBondContact O-N 3.44Å; V17-V20 PolarHBondContact O-N 2.91Å; V17-F21 VanDerWaalsContact O-CB 3.32Å; V17-F21 WeakPolarHBondContact O-CB 3.37Å; V17-F21 PolarHBondContact O-N 3.28Å
18	F	60.8	Low	52.5	Low	144 Å²	144	85 Å²	85	63%	0.632	48%	0.481	S	S	*	.	H	α-helix	trans	-64.8	-42.2	175.6	-173	-100	0	0	0	112.4	F14 V16 F21 V22	F14-F18 VanDerWaalsContact O-CB 3.23Å; F14-F18 WeakPolarHBondContact O-CB 3.2Å; F14-F18 PolarHBondContact O-N 2.75Å; V16-F18 VanDerWaalsContact C-N 3.31Å; V16-F18 PolarHBondContact O-N 3.49Å; F18-F21 PolarHBondContact O-N 2.98Å; F18-V22 HydrophobicContact CD1-CG2 4.1Å; F18-V22 HydrophobicContact CE1-CG2 3.78Å; F18-V22 HydrophobicContact CE2-CG2 4.36Å; F18-V22 HydrophobicContact CZ-CG2 3.93Å; F18-V22 WeakPolarHBondContact O-CB 3.3Å; F18-V22 VanDerWaalsContact O-CG2 3.27Å; F18-V22 WeakPolarHBondContact O-CG2 3.12Å; F18-V22 PolarHBondContact O-N 3.44Å
19	A	52.7	Low	52.5	Low	53 Å²	53	85.9 Å²	85.9	44%	0.438	49%	0.491	S	S	.	.	H	α-helix	trans	-66.8	-36.3	177.9	0	0	0	0	0	113.2	S15 V16 S23	S15-A19 VanDerWaalsContact O-CB 3.23Å; S15-A19 WeakPolarHBondContact O-CB 3.2Å; S15-A19 PolarHBondContact O-N 2.86Å; V16-A19 PolarHBondContact O-N 3.37Å; A19-S23 WeakPolarHBondContact O-CB 3.34Å; A19-S23 PolarHBondContact O-N 2.93Å; A19-S23 PolarHBondContact O-OG 3Å
20	V	54.9	Low	52.8	Low	35 Å²	35	89.1 Å²	89.1	21%	0.212	53%	0.526	C	S	.	.	H	α-helix	trans	-67.1	-44.7	172.1	172.1	0	0	0	0	110.3	V16 V17 V22 S23 C24 L38 A41	V16-V20 VanDerWaalsContact O-CG2 3.29Å; V16-V20 WeakPolarHBondContact O-CG2 3.41Å; V16-V20 PolarHBondContact O-N 2.86Å; V17-V20 PolarHBondContact O-N 2.91Å; V20-V22 PolarHBondContact O-N 3.47Å; V20-S23 PolarHBondContact O-N 3.33Å; V20-C24 PolarHBondContact O-N 3.33Å; V20-C24 PolarHBondContact O-SG 3.29Å; V20-L38 HydrophobicContact CG1-CD2 4.25Å; V20-A41 HydrophobicContact CG2-CB 3.43Å; V20-A41 VanDerWaalsContact CG2-CB 3.43Å
21	F	56.3	Low	52.9	Low	128 Å²	128	89.8 Å²	89.8	56%	0.561	53%	0.534	S	S	*	.	H	α-helix	trans	-61.3	-45.5	177.9	-158.6	-94.2	0	0	0	111.6	V17 F18 C24 F25	V17-F21 VanDerWaalsContact O-CB 3.32Å; V17-F21 WeakPolarHBondContact O-CB 3.37Å; V17-F21 PolarHBondContact O-N 3.28Å; F18-F21 PolarHBondContact O-N 2.98Å; F21-C24 PolarHBondContact O-N 3.15Å; F21-F25 AromaticContact CD1-CD2 3.95Å; F21-F25 HydrophobicContact CD1-CD2 3.95Å; F21-F25 HydrophobicContact CD1-CE2 4Å; F21-F25 AromaticContact CE1-CD2 3.8Å; F21-F25 HydrophobicContact CE1-CD2 3.8Å; F21-F25 AromaticContact CE1-CE2 3.41Å; F21-F25 HydrophobicContact CE1-CE2 3.41Å; F21-F25 VanDerWaalsContact CE1-CE2 3.41Å; F21-F25 HydrophobicContact CE1-CZ 4.37Å; F21-F25 HydrophobicContact CE2-CE2 4.28Å; F21-F25 HydrophobicContact CZ-CD2 4.35Å; F21-F25 AromaticContact CZ-CE2 3.57Å; F21-F25 HydrophobicContact CZ-CE2 3.57Å; F21-F25 HydrophobicContact CZ-CZ 4.4Å; F21-F25 WeakPolarHBondContact O-CD2 3.35Å; F21-F25 PolarHBondContact O-N 3.36Å
22	V	55	Low	53.2	Low	64 Å²	64	90.1 Å²	90.1	39%	0.388	54%	0.54	S	S	.	.	H	α-helix	trans	-65	-39.8	176	173	0	0	0	0	111.6	F18 V20 C24 F25 V26	F18-V22 HydrophobicContact CD1-CG2 4.1Å; F18-V22 HydrophobicContact CE1-CG2 3.78Å; F18-V22 HydrophobicContact CE2-CG2 4.36Å; F18-V22 HydrophobicContact CZ-CG2 3.93Å; F18-V22 WeakPolarHBondContact O-CB 3.3Å; F18-V22 VanDerWaalsContact O-CG2 3.27Å; F18-V22 WeakPolarHBondContact O-CG2 3.12Å; F18-V22 PolarHBondContact O-N 3.44Å; V20-V22 PolarHBondContact O-N 3.47Å; V22-C24 VanDerWaalsContact C-N 3.32Å; V22-C24 PolarHBondContact O-N 3.12Å; V22-F25 PolarHBondContact O-N 3.07Å; V22-V26 HydrophobicContact CG1-CG2 4.27Å; V22-V26 VanDerWaalsContact O-CG2 3.28Å; V22-V26 WeakPolarHBondContact O-CG2 3.41Å; V22-V26 PolarHBondContact O-N 3.34Å
23	S	52	Low	53.5	Low	49 Å²	49	89.8 Å²	89.8	34%	0.343	54%	0.544	S	S	.	.	H	α-helix	trans	-65.8	-32.4	175.9	-69.1	0	0	0	0	113.2	A19 V20 F25	A19-S23 WeakPolarHBondContact O-CB 3.34Å; A19-S23 PolarHBondContact O-N 2.93Å; A19-S23 PolarHBondContact O-OG 3Å; V20-S23 PolarHBondContact O-N 3.33Å; S23-F25 VanDerWaalsContact C-N 3.32Å
24	C	52.6	Low	54.1	Low	93 Å²	93	91 Å²	91	63%	0.628	55%	0.552	S	S	*	*	H	α-helix	trans	-70.4	-26	174.8	-71.6	0	0	0	0	113.1	V20 F21 V22	V20-C24 PolarHBondContact O-N 3.33Å; V20-C24 PolarHBondContact O-SG 3.29Å; F21-C24 PolarHBondContact O-N 3.15Å; V22-C24 VanDerWaalsContact C-N 3.32Å; V22-C24 PolarHBondContact O-N 3.12Å
25	F	54.7	Low	54.6	Low	159 Å²	159	85.9 Å²	85.9	70%	0.697	54%	0.543	S	S	*	.	H	α-helix	trans	-91.9	-12.6	179.3	-88.7	-83.8	0	0	0	114.3	F21 V22 S23	F21-F25 AromaticContact CD1-CD2 3.95Å; F21-F25 HydrophobicContact CD1-CD2 3.95Å; F21-F25 HydrophobicContact CD1-CE2 4Å; F21-F25 AromaticContact CE1-CD2 3.8Å; F21-F25 HydrophobicContact CE1-CD2 3.8Å; F21-F25 AromaticContact CE1-CE2 3.41Å; F21-F25 HydrophobicContact CE1-CE2 3.41Å; F21-F25 VanDerWaalsContact CE1-CE2 3.41Å; F21-F25 HydrophobicContact CE1-CZ 4.37Å; F21-F25 HydrophobicContact CE2-CE2 4.28Å; F21-F25 HydrophobicContact CZ-CD2 4.35Å; F21-F25 AromaticContact CZ-CE2 3.57Å; F21-F25 HydrophobicContact CZ-CE2 3.57Å; F21-F25 HydrophobicContact CZ-CZ 4.4Å; F21-F25 WeakPolarHBondContact O-CD2 3.35Å; F21-F25 PolarHBondContact O-N 3.36Å; V22-F25 PolarHBondContact O-N 3.07Å; S23-F25 VanDerWaalsContact C-N 3.32Å
26	V	51.6	Low	55.6	Low	111 Å²	111	86.3 Å²	86.3	67%	0.673	54%	0.542	S	S	*	.	S	Bend	trans	-102.8	-2.4	-176.3	176	0	0	0	0	113	V22 D28	V22-V26 HydrophobicContact CG1-CG2 4.27Å; V22-V26 VanDerWaalsContact O-CG2 3.28Å; V22-V26 WeakPolarHBondContact O-CG2 3.41Å; V22-V26 PolarHBondContact O-N 3.34Å; V26-D28 PolarHBondContact O-N 2.89Å
27	A	46.1	Very low	56.6	Low	70 Å²	70	87.8 Å²	87.8	58%	0.579	55%	0.552	S	S	*	*			trans	-82.5	80.2	-173.9	0	0	0	0	0	113.5
28	D	48.4	Very low	57.4	Low	157 Å²	157	88.6 Å²	88.6	84%	0.84	55%	0.553	S	S	*	*			trans	-104.3	96.6	149.2	-160.5	13	0	0	0	107.4	V26	V26-D28 PolarHBondContact O-N 2.89Å
29	S	47.7	Very low	58.2	Low	101 Å²	101	84.8 Å²	84.8	71%	0.706	55%	0.549	S	S	*	.	S	Bend	trans	143.8	108.6	160.7	55.7	0	0	0	0	114.6	V31	S29-V31 PolarHBondContact O-N 3.26Å
30	G	54.2	Low	59.5	Low	89 Å²	89	86.3 Å²	86.3	92%	0.918	55%	0.552	S	S	*	*				49.6	13.8	125.4	0	0	0	0	0	124.3
31	V	51.3	Low	60.6	Low	107 Å²	107	85 Å²	85	65%	0.648	55%	0.546	S	S	*	.	S	Bend	trans	-137.2	151.7	-178.8	-174.8	0	0	0	0	112.6	S29 G33 P34	S29-V31 PolarHBondContact O-N 3.26Å; V31-G33 PolarHBondContact O-N 3.41Å; V31-P34 WeakPolarHBondContact O-CD 3.28Å
32	T	55.1	Low	61.8	Low	114 Å²	114	81.7 Å²	81.7	70%	0.699	54%	0.541	S	S	*	.	S	Bend	trans	-45.2	6.7	166.8	47.7	0	0	0	0	117.2	G35 V36	T32-G35 PolarHBondContact O-N 2.82Å; T32-V36 PolarHBondContact O-N 3.48Å
33	G	57	Low	63.1	Low	33 Å²	33	80.3 Å²	80.3	34%	0.34	54%	0.54	S	S	.	.	H	α-helix	trans	-60.1	-42.8	-178.1	0	0	0	0	0	115.9	V31 G35 V36 C37	V31-G33 PolarHBondContact O-N 3.41Å; G33-G35 VanDerWaalsContact C-N 3.3Å; G33-G35 PolarHBondContact O-N 3.41Å; G33-V36 PolarHBondContact O-N 2.81Å; G33-C37 PolarHBondContact O-N 3.18Å; G33-C37 PolarHBondContact O-SG 3.41Å; G33-C37 VanDerWaalsContact O-SG 3.33Å
34	P	64.9	Low	64.6	Low	73 Å²	73	80.9 Å²	80.9	47%	0.474	54%	0.539	S	S	.	.	H	α-helix	trans	-62	-38.1	177.8	-23.2	33	0	0	0	112.5	V31 L38	V31-P34 WeakPolarHBondContact O-CD 3.28Å; P34-L38 WeakPolarHBondContact O-CB 3.33Å; P34-L38 VanDerWaalsContact O-CG 3.25Å; P34-L38 WeakPolarHBondContact O-CG 3.46Å; P34-L38 PolarHBondContact O-N 3.43Å
35	G	67.2	Low	66	Low	46 Å²	46	80.1 Å²	80.1	47%	0.474	53%	0.528	S	S	.	.	H	α-helix	trans	-68.3	-39.5	178.9	0	0	0	0	0	113	T32 G33 A39	T32-G35 PolarHBondContact O-N 2.82Å; G33-G35 VanDerWaalsContact C-N 3.3Å; G33-G35 PolarHBondContact O-N 3.41Å; G35-A39 WeakPolarHBondContact O-CB 3.46Å; G35-A39 PolarHBondContact O-N 2.9Å
36	V	72.3	Confident	67.4	Low	86 Å²	86	75.2 Å²	75.2	52%	0.521	51%	0.514	S	S	.	.	H	α-helix	trans	-69.1	-42.8	176.6	177.6	0	0	0	0	111	T32 G33 L38 A39 V40	T32-V36 PolarHBondContact O-N 3.48Å; G33-V36 PolarHBondContact O-N 2.81Å; V36-L38 PolarHBondContact O-N 3.35Å; V36-A39 PolarHBondContact O-N 3.44Å; V36-V40 HydrophobicContact CG1-CG2 4.38Å; V36-V40 VanDerWaalsContact O-CG2 3.3Å; V36-V40 WeakPolarHBondContact O-CG2 3.49Å; V36-V40 PolarHBondContact O-N 3.19Å
37	C	75	Confident	68.9	Low	47 Å²	47	75.4 Å²	75.4	32%	0.318	51%	0.508	S	S	.	.	H	α-helix	trans	-61.4	-42	175.5	-69.9	0	0	0	0	112.3	G33 A41	G33-C37 PolarHBondContact O-N 3.18Å; G33-C37 PolarHBondContact O-SG 3.41Å; G33-C37 VanDerWaalsContact O-SG 3.33Å; C37-A41 VanDerWaalsContact O-CB 3.26Å; C37-A41 WeakPolarHBondContact O-CB 3.33Å; C37-A41 PolarHBondContact O-N 2.91Å
38	L	76.3	Confident	70.6	Confident	101 Å²	101	72.8 Å²	72.8	53%	0.529	49%	0.485	S	S	.	.	H	α-helix	trans	-65.2	-41.2	175.1	-74.4	169	0	0	0	112.2	V20 P34 V36 A41 A42	V20-L38 HydrophobicContact CG1-CD2 4.25Å; P34-L38 WeakPolarHBondContact O-CB 3.33Å; P34-L38 VanDerWaalsContact O-CG 3.25Å; P34-L38 WeakPolarHBondContact O-CG 3.46Å; P34-L38 PolarHBondContact O-N 3.43Å; V36-L38 PolarHBondContact O-N 3.35Å; L38-A41 PolarHBondContact O-N 3.36Å; L38-A42 VanDerWaalsContact O-CB 3.27Å; L38-A42 WeakPolarHBondContact O-CB 3.42Å; L38-A42 PolarHBondContact O-N 3.2Å
39	A	77.6	Confident	72.3	Confident	65 Å²	65	69.9 Å²	69.9	54%	0.537	46%	0.463	S	S	.	.	H	α-helix	trans	-66.5	-41.3	177.5	0	0	0	0	0	112.4	G35 V36 A42 G43	G35-A39 WeakPolarHBondContact O-CB 3.46Å; G35-A39 PolarHBondContact O-N 2.9Å; V36-A39 PolarHBondContact O-N 3.44Å; A39-A42 PolarHBondContact O-N 3.13Å; A39-G43 PolarHBondContact O-N 2.6Å
40	V	79.3	Confident	74.1	Confident	84 Å²	84	74 Å²	74	51%	0.509	46%	0.463	S	S	.	.	H	α-helix	trans	-64.7	-45.1	174.9	171.4	0	0	0	0	110.5	V36 A42 G43 I44	V36-V40 HydrophobicContact CG1-CG2 4.38Å; V36-V40 VanDerWaalsContact O-CG2 3.3Å; V36-V40 WeakPolarHBondContact O-CG2 3.49Å; V36-V40 PolarHBondContact O-N 3.19Å; V40-A42 PolarHBondContact O-N 3.02Å; V40-G43 PolarHBondContact O-N 3.18Å; V40-I44 HydrophobicContact CG1-CD1 3.83Å; V40-I44 HydrophobicContact CG1-CG1 4.47Å; V40-I44 WeakPolarHBondContact O-CG1 3.32Å; V40-I44 PolarHBondContact O-N 2.95Å
41	A	77.4	Confident	75.5	Confident	9 Å²	9	78.4 Å²	78.4	7%	0.074	45%	0.452	C	S	.	.	H	α-helix	trans	-60.5	-45.2	175.9	0	0	0	0	0	112	V16 V20 C37 L38 G43 I44 L45	V16-A41 HydrophobicContact CG1-CB 3.46Å; V16-A41 VanDerWaalsContact CG1-CB 3.46Å; V20-A41 HydrophobicContact CG2-CB 3.43Å; V20-A41 VanDerWaalsContact CG2-CB 3.43Å; C37-A41 VanDerWaalsContact O-CB 3.26Å; C37-A41 WeakPolarHBondContact O-CB 3.33Å; C37-A41 PolarHBondContact O-N 2.91Å; L38-A41 PolarHBondContact O-N 3.36Å; A41-G43 VanDerWaalsContact C-N 3.34Å; A41-G43 PolarHBondContact O-N 3.09Å; A41-I44 PolarHBondContact O-N 2.92Å; A41-L45 VanDerWaalsContact O-CB 3.32Å; A41-L45 WeakPolarHBondContact O-CB 3.47Å; A41-L45 VanDerWaalsContact O-CG 3.24Å; A41-L45 WeakPolarHBondContact O-CG 3.5Å; A41-L45 PolarHBondContact O-N 3.17Å
42	A	82.2	Confident	77.1	Confident	57 Å²	57	75.4 Å²	75.4	47%	0.471	43%	0.432	S	S	.	.	H	α-helix	trans	-62.8	-39.4	175.4	0	0	0	0	0	112.1	L38 A39 V40 S46	L38-A42 VanDerWaalsContact O-CB 3.27Å; L38-A42 WeakPolarHBondContact O-CB 3.42Å; L38-A42 PolarHBondContact O-N 3.2Å; A39-A42 PolarHBondContact O-N 3.13Å; V40-A42 PolarHBondContact O-N 3.02Å; A42-S46 WeakPolarHBondContact O-CB 3.46Å; A42-S46 PolarHBondContact O-N 2.91Å
43	G	83.3	Confident	78.8	Confident	35 Å²	35	74.7 Å²	74.7	36%	0.361	42%	0.417	S	S	.	.	H	α-helix	trans	-62.4	-47.4	174.8	0	0	0	0	0	112.5	A39 V40 A41 S46 M47	A39-G43 PolarHBondContact O-N 2.6Å; V40-G43 PolarHBondContact O-N 3.18Å; A41-G43 VanDerWaalsContact C-N 3.34Å; A41-G43 PolarHBondContact O-N 3.09Å; G43-S46 PolarHBondContact O-N 2.87Å; G43-M47 WeakPolarHBondContact O-CG 3.37Å; G43-M47 PolarHBondContact O-N 3.23Å
44	I	83	Confident	80.2	Confident	62 Å²	62	80 Å²	80	32%	0.318	43%	0.433	S	S	.	.	H	α-helix	trans	-65.3	-45.1	177.3	-63.1	164.9	0	0	0	110.6	V16 V40 A41 S46 M47 C48	V16-I44 HydrophobicContact CG2-CB 4.04Å; V16-I44 HydrophobicContact CG2-CD1 3.75Å; V16-I44 HydrophobicContact CG2-CG2 3.68Å; V40-I44 HydrophobicContact CG1-CD1 3.83Å; V40-I44 HydrophobicContact CG1-CG1 4.47Å; V40-I44 WeakPolarHBondContact O-CG1 3.32Å; V40-I44 PolarHBondContact O-N 2.95Å; A41-I44 PolarHBondContact O-N 2.92Å; I44-S46 VanDerWaalsContact C-N 3.31Å; I44-S46 PolarHBondContact O-N 3.27Å; I44-M47 PolarHBondContact O-N 3.28Å; I44-C48 WeakPolarHBondContact O-CB 3.33Å; I44-C48 PolarHBondContact O-N 2.95Å; I44-C48 PolarHBondContact O-SG 3.28Å; I44-C48 VanDerWaalsContact O-SG 3.36Å
45	L	82.6	Confident	81.2	Confident	77 Å²	77	81.3 Å²	81.3	40%	0.403	43%	0.428	S	S	.	.	H	α-helix	trans	-58.7	-43.7	175.7	-76.1	166.3	0	0	0	111.3	V13 A41 C48 W49	V13-L45 HydrophobicContact CG1-CD2 4.23Å; V13-L45 HydrophobicContact CG2-CD2 4.27Å; A41-L45 VanDerWaalsContact O-CB 3.32Å; A41-L45 WeakPolarHBondContact O-CB 3.47Å; A41-L45 VanDerWaalsContact O-CG 3.24Å; A41-L45 WeakPolarHBondContact O-CG 3.5Å; A41-L45 PolarHBondContact O-N 3.17Å; L45-C48 PolarHBondContact O-N 3.26Å; L45-W49 WeakPolarHBondContact O-CB 3.28Å; L45-W49 PolarHBondContact O-N 3.41Å
46	S	82.7	Confident	82.2	Confident	56 Å²	56	83 Å²	83	39%	0.392	43%	0.426	S	S	.	.	H	α-helix	trans	-62.8	-42	175.6	-178.8	0	0	0	0	112.1	A42 G43 I44 W49 R50	A42-S46 WeakPolarHBondContact O-CB 3.46Å; A42-S46 PolarHBondContact O-N 2.91Å; G43-S46 PolarHBondContact O-N 2.87Å; I44-S46 VanDerWaalsContact C-N 3.31Å; I44-S46 PolarHBondContact O-N 3.27Å; S46-W49 PolarHBondContact O-N 3.04Å; S46-R50 WeakPolarHBondContact O-CB 3.29Å; S46-R50 VanDerWaalsContact O-CG 3.31Å; S46-R50 WeakPolarHBondContact O-CG 3.38Å; S46-R50 PolarHBondContact O-N 2.85Å
47	M	83	Confident	82.3	Confident	114 Å²	114	84.1 Å²	84.1	56%	0.562	44%	0.444	S	S	*	.	H	α-helix	trans	-66.1	-45	175.3	-73.4	-176.7	69.2	0	0	112.4	G43 I44 W49 R50 R51	G43-M47 WeakPolarHBondContact O-CG 3.37Å; G43-M47 PolarHBondContact O-N 3.23Å; I44-M47 PolarHBondContact O-N 3.28Å; M47-W49 VanDerWaalsContact C-N 3.31Å; M47-W49 PolarHBondContact O-N 3.23Å; M47-R50 PolarHBondContact O-N 2.99Å; M47-R51 WeakPolarHBondContact O-CG 3.29Å; M47-R51 PolarHBondContact O-N 2.79Å
48	C	82.8	Confident	82.6	Confident	15 Å²	15	83.8 Å²	83.8	10%	0.101	45%	0.449	C	S	.	.	H	α-helix	trans	-60.2	-43.1	174.7	-73.5	0	0	0	0	111.1	V13 I44 L45 R51 L52	V13-C48 HydrophobicContact CG2-CB 4.5Å; I44-C48 WeakPolarHBondContact O-CB 3.33Å; I44-C48 PolarHBondContact O-N 2.95Å; I44-C48 PolarHBondContact O-SG 3.28Å; I44-C48 VanDerWaalsContact O-SG 3.36Å; L45-C48 PolarHBondContact O-N 3.26Å; C48-R51 PolarHBondContact O-N 3.24Å; C48-L52 WeakPolarHBondContact O-CB 3.23Å; C48-L52 WeakPolarHBondContact O-CG 3.36Å; C48-L52 PolarHBondContact O-N 3.34Å
49	W	83.8	Confident	83	Confident	97 Å²	97	79 Å²	79	37%	0.367	42%	0.424	S	S	.	.	H	α-helix	trans	-62	-46.4	176.1	-169.8	-93.4	0	0	0	112.3	L45 S46 M47 R51 L52 R53 V174 L175	L45-W49 WeakPolarHBondContact O-CB 3.28Å; L45-W49 PolarHBondContact O-N 3.41Å; S46-W49 PolarHBondContact O-N 3.04Å; M47-W49 VanDerWaalsContact C-N 3.31Å; M47-W49 PolarHBondContact O-N 3.23Å; W49-R51 VanDerWaalsContact C-N 3.31Å; W49-R51 PolarHBondContact O-N 3.05Å; W49-L52 PolarHBondContact O-N 2.91Å; W49-R53 VanDerWaalsContact NE1-CZ 3.34Å; W49-R53 VanDerWaalsContact NE1-NE 3.13Å; W49-R53 PolarHBondContact O-N 2.9Å; W49-V174 HydrophobicContact CH2-CG1 4.18Å; W49-L175 HydrophobicContact CE3-CD2 4.08Å; W49-L175 HydrophobicContact CH2-CD2 3.9Å; W49-L175 HydrophobicContact CZ3-CD2 3.3Å
50	R	84.8	Confident	83.5	Confident	187 Å²	187	80.1 Å²	80.1	71%	0.706	42%	0.421	S	S	*	.	H	α-helix	trans	-60	-40.9	175.1	-76.2	178.6	-176.5	-166	0.7	111.9	S46 M47 R53 Q54	S46-R50 WeakPolarHBondContact O-CB 3.29Å; S46-R50 VanDerWaalsContact O-CG 3.31Å; S46-R50 WeakPolarHBondContact O-CG 3.38Å; S46-R50 PolarHBondContact O-N 2.85Å; M47-R50 PolarHBondContact O-N 2.99Å; R50-R53 CarbonylContact O-C 3.59Å; R50-R53 PolarHBondContact O-N 3.46Å; R50-Q54 PolarHBondContact O-N 3.43Å; R50-Q54 VanDerWaalsContact O-N 3.09Å
51	R	84.1	Confident	84.2	Confident	181 Å²	181	82.4 Å²	82.4	68%	0.683	42%	0.42	S	S	*	.	H	α-helix	trans	-65.5	-42.7	175.5	-74.3	-176.4	-176.9	-146.2	2.5	112.3	M47 C48 W49 R53 Q54	M47-R51 WeakPolarHBondContact O-CG 3.29Å; M47-R51 PolarHBondContact O-N 2.79Å; C48-R51 PolarHBondContact O-N 3.24Å; W49-R51 VanDerWaalsContact C-N 3.31Å; W49-R51 PolarHBondContact O-N 3.05Å; R51-R53 PolarHBondContact O-N 3.23Å; R51-Q54 WeakPolarHBondContact O-CB 3.21Å; R51-Q54 PolarHBondContact O-N 3.02Å
52	L	84.8	Confident	85.1	Confident	44 Å²	44	83.1 Å²	83.1	23%	0.23	42%	0.421	C	S	.	.	H	α-helix	trans	-63.8	-26	177.3	-76.1	168	0	0	0	113	C48 W49	C48-L52 WeakPolarHBondContact O-CB 3.23Å; C48-L52 WeakPolarHBondContact O-CG 3.36Å; C48-L52 PolarHBondContact O-N 3.34Å; W49-L52 PolarHBondContact O-N 2.91Å
53	R	90.6	Very high	85.8	Confident	100 Å²	100	80.4 Å²	80.4	38%	0.377	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	7.3	177.4	-66.5	-170.4	169	-162.9	-3.6	114	W49 R50 R51 R55 V174 L175	W49-R53 VanDerWaalsContact NE1-CZ 3.34Å; W49-R53 VanDerWaalsContact NE1-NE 3.13Å; W49-R53 PolarHBondContact O-N 2.9Å; R50-R53 CarbonylContact O-C 3.59Å; R50-R53 PolarHBondContact O-N 3.46Å; R51-R53 PolarHBondContact O-N 3.23Å; R53-R55 PolarHBondContact O-N 3.46Å; R53-R55 VanDerWaalsContact O-N 3.12Å; R53-V174 PolarHBondContact NH2-O 2.88Å; R53-L175 WeakPolarHBondContact CG-O 3.5Å; R53-L175 PolarHBondContact NE-O 3.23Å
54	Q	86.4	Confident	86.6	Confident	145 Å²	145	78.8 Å²	78.8	68%	0.678	38%	0.382	S	S	*	.			trans	-69.4	113.3	-178.7	-170.1	172.2	-1.3	0	0	109.4	R50 R51	R50-Q54 PolarHBondContact O-N 3.43Å; R50-Q54 VanDerWaalsContact O-N 3.09Å; R51-Q54 WeakPolarHBondContact O-CB 3.21Å; R51-Q54 PolarHBondContact O-N 3.02Å
55	R	86.8	Confident	87.3	Confident	100 Å²	100	75.8 Å²	75.8	38%	0.377	37%	0.366	S	S	.	.			trans	-87.1	146.5	176	-68.7	-172	163.1	109.7	8.9	110.8	R53 D60 L151 G177 R492	R53-R55 PolarHBondContact O-N 3.46Å; R53-R55 VanDerWaalsContact O-N 3.12Å; R55-D60 IonicContact NE-OD1 3.37Å; R55-L151 HydrophobicContact CG-CD1 4.14Å; R55-L151 HydrophobicContact CG-CD2 4.09Å; R55-G177 PolarHBondContact NH2-O 3.03Å; R55-R492 VanDerWaalsContact NH1-NH1 3.11Å; R55-R492 VanDerWaalsContact NH2-NH1 3.14Å; R55-R492 VanDerWaalsContact NH2-NH2 3.19Å
56	D	86.9	Confident	88.1	Confident	80 Å²	80	72.1 Å²	72.1	43%	0.428	35%	0.347	S	S	.	.			trans	-111.3	174.3	171.2	62.6	8.9	0	0	0	111.2	G58 S59 R62	D56-G58 PolarHBondContact O-N 3.47Å; D56-G58 VanDerWaalsContact O-N 3.1Å; D56-S59 PolarHBondContact N-OG 3.29Å; D56-S59 PolarHBondContact O-N 2.89Å; D56-S59 PolarHBondContact O-OG 2.85Å; D56-S59 PolarHBondContact OD1-N 2.6Å; D56-S59 VanDerWaalsContact OD1-N 3.13Å; D56-S59 PolarHBondContact OD1-OG 3.34Å; D56-R62 VanDerWaalsContact CG-NH2 3.26Å; D56-R62 IonicContact OD1-CZ 3.65Å; D56-R62 IonicContact OD1-NH1 2.68Å; D56-R62 PolarHBondContact OD1-NH1 2.82Å; D56-R62 IonicContact OD1-NH2 4Å; D56-R62 PolarHBondContact OD1-NH2 3.14Å; D56-R62 IonicContact OD2-CZ 3.7Å; D56-R62 IonicContact OD2-NH1 3.25Å; D56-R62 PolarHBondContact OD2-NH1 3.48Å; D56-R62 IonicContact OD2-NH2 3.34Å; D56-R62 PolarHBondContact OD2-NH2 3.09Å; D56-R62 VanDerWaalsContact OD2-NH2 3.1Å
57	A	75.8	Confident	88.7	Confident	110 Å²	110	69.5 Å²	69.5	91%	0.909	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	108.1	170.2	0	0	0	0	0	109.1
58	G	80.9	Confident	89.3	Confident	40 Å²	40	64.7 Å²	64.7	41%	0.412	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	116.6	-10.8	-179	0	0	0	0	0	114.6	D56 D60 R61	D56-G58 PolarHBondContact O-N 3.47Å; D56-G58 VanDerWaalsContact O-N 3.1Å; G58-D60 PolarHBondContact O-N 3.38Å; G58-R61 PolarHBondContact O-N 3.19Å
59	S	84.6	Confident	89.7	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-49.2	-43	175.6	-73.8	0	0	0	0	113.4	D56 R61 R62 A153	D56-S59 PolarHBondContact N-OG 3.29Å; D56-S59 PolarHBondContact O-N 2.89Å; D56-S59 PolarHBondContact O-OG 2.85Å; D56-S59 PolarHBondContact OD1-N 2.6Å; D56-S59 VanDerWaalsContact OD1-N 3.13Å; D56-S59 PolarHBondContact OD1-OG 3.34Å; S59-R61 PolarHBondContact O-N 3.25Å; S59-R62 PolarHBondContact O-N 2.89Å; S59-R62 PolarHBondContact OG-NH2 2.92Å; S59-A153 VanDerWaalsContact O-CB 3.29Å; S59-A153 WeakPolarHBondContact O-CB 3.39Å; S59-A153 PolarHBondContact O-N 3.21Å
60	D	88.1	Confident	90.2	Very high	89 Å²	89	60.9 Å²	60.9	48%	0.476	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-70.8	-8.5	-178.5	-63.3	-44	0	0	0	114	R55 G58 R492	R55-D60 IonicContact NE-OD1 3.37Å; G58-D60 PolarHBondContact O-N 3.38Å; D60-R492 IonicContact OD1-CZ 3.86Å; D60-R492 IonicContact OD1-NH1 3.66Å; D60-R492 IonicContact OD1-NH2 3.15Å; D60-R492 PolarHBondContact OD1-NH2 3.39Å; D60-R492 VanDerWaalsContact OD1-NH2 3.15Å
61	R	92.9	Very high	90.7	Very high	132 Å²	132	52 Å²	52	50%	0.498	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-109.1	10.4	175.8	-66.5	-67.8	-173.2	167.5	-0.2	113.1	G58 S59 H87 Y89 Q90	G58-R61 PolarHBondContact O-N 3.19Å; S59-R61 PolarHBondContact O-N 3.25Å; R61-H87 PolarHBondContact NH1-O 2.98Å; R61-Y89 CarbonylContact O-C 3.34Å; R61-Y89 VanDerWaalsContact O-CA 3.29Å; R61-Y89 WeakPolarHBondContact O-CA 3.5Å; R61-Q90 PolarHBondContact O-N 2.96Å
62	R	96.5	Very high	91	Very high	24 Å²	24	44.3 Å²	44.3	9%	0.091	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	128.1	176.2	-71.2	-169.1	-64.1	-116.3	-8.5	112	D56 S59 Q90 E150 L151 A153	D56-R62 VanDerWaalsContact CG-NH2 3.26Å; D56-R62 IonicContact OD1-CZ 3.65Å; D56-R62 IonicContact OD1-NH1 2.68Å; D56-R62 PolarHBondContact OD1-NH1 2.82Å; D56-R62 IonicContact OD1-NH2 4Å; D56-R62 PolarHBondContact OD1-NH2 3.14Å; D56-R62 IonicContact OD2-CZ 3.7Å; D56-R62 IonicContact OD2-NH1 3.25Å; D56-R62 PolarHBondContact OD2-NH1 3.48Å; D56-R62 IonicContact OD2-NH2 3.34Å; D56-R62 PolarHBondContact OD2-NH2 3.09Å; D56-R62 VanDerWaalsContact OD2-NH2 3.1Å; S59-R62 PolarHBondContact O-N 2.89Å; S59-R62 PolarHBondContact OG-NH2 2.92Å; R62-Q90 WeakPolarHBondContact CA-O 3.43Å; R62-Q90 HydrophobicContact CG-CB 4.1Å; R62-E150 WeakPolarHBondContact CD-OE2 3.33Å; R62-E150 IonicContact CZ-OE2 3.69Å; R62-E150 IonicContact NE-OE2 3.28Å; R62-E150 IonicContact NH1-OE2 3.28Å; R62-E150 PolarHBondContact NH1-OE2 3.15Å; R62-L151 PolarHBondContact NE-O 2.8Å; R62-L151 PolarHBondContact NH2-O 2.96Å; R62-A153 PolarHBondContact O-N 2.94Å
63	V	98.1	Very high	91.2	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131.1	177.4	-179.7	0	0	0	0	110.1	L84 Y89 Q90 V91 T92 H154	V63-L84 HydrophobicContact CB-CD1 4.15Å; V63-L84 HydrophobicContact CB-CD2 4.34Å; V63-L84 HydrophobicContact CG1-CD1 3.65Å; V63-L84 HydrophobicContact CG1-CD2 4.24Å; V63-L84 HydrophobicContact CG2-CD2 4.06Å; V63-Y89 HydrophobicContact CG2-CD1 3.58Å; V63-Y89 HydrophobicContact CG2-CE1 4.15Å; V63-Y89 HydrophobicContact CG2-CG 4.12Å; V63-Q90 PolarHBondContact N-O 3.47Å; V63-V91 CarbonylContact O-C 3.58Å; V63-V91 WeakPolarHBondContact O-CA 3.5Å; V63-T92 PolarHBondContact O-N 3.48Å; V63-H154 WeakPolarHBondContact CA-O 3.37Å; V63-H154 HydrophobicContact CG1-CB 4.18Å; V63-H154 HydrophobicContact CG2-CB 4.16Å
64	C	98.5	Very high	91.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	121.2	168.9	177.4	0	0	0	0	109.4	T92 Q152 H154 I155 L156	C64-T92 CarbonylContact C-O 3.53Å; C64-T92 VanDerWaalsContact CA-O 3.3Å; C64-T92 WeakPolarHBondContact CA-O 3.23Å; C64-Q152 HydrophobicContact CB-CB 4.35Å; C64-Q152 HydrophobicContact CB-CG 3.86Å; C64-H154 PolarHBondContact N-O 2.73Å; C64-I155 HydrophobicContact CB-CG1 4.22Å; C64-I155 HydrophobicContact CB-CG2 4.45Å; C64-I155 CarbonylContact O-C 3.32Å; C64-I155 WeakPolarHBondContact O-CA 3.44Å; C64-L156 PolarHBondContact O-N 3.08Å
65	V	98.6	Very high	91.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	116.2	167.8	179.8	0	0	0	0	107.1	M77 A81 L84 V91 T92 F93 V94 L156	V65-M77 HydrophobicContact CG1-CB 4.23Å; V65-M77 HydrophobicContact CG1-CE 3.7Å; V65-A81 HydrophobicContact CG2-CB 4.41Å; V65-L84 HydrophobicContact CG2-CD1 3.59Å; V65-V91 HydrophobicContact CB-CG1 4.38Å; V65-V91 HydrophobicContact CG2-CG1 3.77Å; V65-T92 PolarHBondContact N-O 2.79Å; V65-F93 HydrophobicContact CB-CD2 3.94Å; V65-F93 HydrophobicContact CB-CE2 4.32Å; V65-F93 HydrophobicContact CB-CG 4.44Å; V65-F93 HydrophobicContact CG1-CD2 3.79Å; V65-F93 HydrophobicContact CG1-CE2 3.65Å; V65-F93 HydrophobicContact CG1-CZ 4.29Å; V65-F93 CarbonylContact O-C 3.52Å; V65-F93 WeakPolarHBondContact O-CA 3.29Å; V65-F93 WeakPolarHBondContact O-CD2 3.38Å; V65-V94 PolarHBondContact O-N 2.93Å; V65-L156 CarbonylContact C-O 3.32Å; V65-L156 WeakPolarHBondContact CA-O 3.21Å
66	L	98.4	Very high	92	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	122.8	-172.4	175.3	62.9	0	0	0	111.1	V94 L142 L146 I155 L156 M157 Q158 A169	L66-V94 HydrophobicContact CD1-CB 3.84Å; L66-V94 HydrophobicContact CD1-CG1 3.76Å; L66-L142 HydrophobicContact CD1-CD1 3.76Å; L66-L142 HydrophobicContact CD2-CD1 4.11Å; L66-L142 HydrophobicContact CD2-CD2 4.4Å; L66-L146 HydrophobicContact CD2-CD1 4.35Å; L66-I155 HydrophobicContact CB-CG2 4.41Å; L66-L156 PolarHBondContact N-O 2.79Å; L66-M157 HydrophobicContact CB-CB 4.34Å; L66-M157 HydrophobicContact CB-CG 4.49Å; L66-M157 HydrophobicContact CD2-CB 4.42Å; L66-M157 HydrophobicContact CD2-CG 4.14Å; L66-M157 HydrophobicContact CD2-SD 4.11Å; L66-M157 HydrophobicContact CG-CG 4.29Å; L66-M157 WeakPolarHBondContact O-CA 3.45Å; L66-Q158 PolarHBondContact O-N 2.8Å; L66-A169 HydrophobicContact CD2-CB 4.27Å
67	V	96.6	Very high	92.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	115.6	174.5	-180	0	0	0	0	108.1	G69 S74 M77 F93 V94 G95 Q158	V67-G69 PolarHBondContact O-N 2.88Å; V67-S74 WeakPolarHBondContact CG1-OG 3.49Å; V67-M77 HydrophobicContact CG2-CB 3.63Å; V67-M77 HydrophobicContact CG2-CE 4.32Å; V67-M77 HydrophobicContact CG2-CG 3.58Å; V67-F93 HydrophobicContact CG2-CE2 3.77Å; V67-F93 HydrophobicContact CG2-CZ 4.49Å; V67-V94 PolarHBondContact N-O 3.05Å; V67-G95 WeakPolarHBondContact O-CA 3.46Å; V67-Q158 HydrophobicContact CG2-CB 4.15Å
68	L	94.3	Very high	93.5	Very high	13 Å²	13	29.6 Å²	29.6	7%	0.068	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	51.1	174.5	-164.7	74.6	0	0	0	110.3	I116 Q138 L142 P161	L68-I116 HydrophobicContact CD1-CD1 3.86Å; L68-Q138 HydrophobicContact CD1-CG 4.06Å; L68-Q138 HydrophobicContact CD2-CG 4.41Å; L68-L142 HydrophobicContact CD1-CD2 4.5Å; L68-P161 HydrophobicContact CB-CG 3.95Å; L68-P161 HydrophobicContact CD2-CG 4.22Å; L68-P161 HydrophobicContact CG-CG 4.28Å; L68-P161 WeakPolarHBondContact O-CD 3.36Å; L68-P161 WeakPolarHBondContact O-CG 3.23Å
69	G	93.2	Very high	94.2	Very high	15 Å²	15	30 Å²	30	16%	0.155	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.5	179.6	-168.2	0	0	0	0	0	111	V67 I71 F96	V67-G69 PolarHBondContact O-N 2.88Å; G69-I71 PolarHBondContact O-N 2.68Å; G69-F96 PolarHBondContact O-N 3.1Å
70	D	93.8	Very high	94.8	Very high	18 Å²	18	30 Å²	30	10%	0.096	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	117	179.2	-176.8	8.2	0	0	0	111.4	G72 R73 S74 D98 S99	D70-G72 VanDerWaalsContact C-N 3.26Å; D70-G72 PolarHBondContact O-N 3.17Å; D70-G72 PolarHBondContact OD1-N 3.45Å; D70-G72 VanDerWaalsContact OD1-N 3.09Å; D70-R73 HydrophobicContact CB-CB 4.28Å; D70-R73 HydrophobicContact CB-CG 4.44Å; D70-R73 PolarHBondContact O-N 2.99Å; D70-R73 VanDerWaalsContact O-N 3.15Å; D70-R73 WeakPolarHBondContact OD2-CD 3.46Å; D70-R73 WeakPolarHBondContact OD2-CG 3.28Å; D70-R73 IonicContact OD2-NE 3.74Å; D70-R73 PolarHBondContact OD2-NE 3.43Å; D70-S74 PolarHBondContact O-N 3.21Å; D70-S74 PolarHBondContact O-OG 2.95Å; D70-D98 HydrophobicContact CB-CB 4.43Å; D70-D98 PolarHBondContact OD1-N 2.82Å; D70-S99 PolarHBondContact OD1-N 2.58Å; D70-S99 WeakPolarHBondContact OD2-CB 3.36Å; D70-S99 PolarHBondContact OD2-N 3.25Å; D70-S99 PolarHBondContact OD2-OG 2.86Å
71	I	94.3	Very high	95.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-58.3	-43	179.1	-68.7	178.4	0	0	0	110.1	G69 R73 S74 Q78 F93 F96 L97 P101 I113	G69-I71 PolarHBondContact O-N 2.68Å; I71-R73 PolarHBondContact O-N 2.8Å; I71-R73 VanDerWaalsContact O-N 3.1Å; I71-S74 PolarHBondContact O-N 3.39Å; I71-Q78 HydrophobicContact CG2-CG 4.32Å; I71-Q78 PolarHBondContact O-NE2 3.13Å; I71-F93 HydrophobicContact CB-CZ 4.44Å; I71-F93 HydrophobicContact CD1-CD2 3.99Å; I71-F93 HydrophobicContact CD1-CE2 4.27Å; I71-F93 HydrophobicContact CD1-CG 4.18Å; I71-F93 HydrophobicContact CG1-CD2 4.27Å; I71-F93 HydrophobicContact CG1-CE2 4.04Å; I71-F93 HydrophobicContact CG1-CZ 4.35Å; I71-F93 HydrophobicContact CG2-CD1 3.99Å; I71-F93 HydrophobicContact CG2-CE1 3.5Å; I71-F93 VanDerWaalsContact CG2-CE1 3.5Å; I71-F93 HydrophobicContact CG2-CE2 4.11Å; I71-F93 HydrophobicContact CG2-CZ 3.58Å; I71-F96 PolarHBondContact N-O 2.68Å; I71-L97 HydrophobicContact CD1-CD2 4.02Å; I71-P101 HydrophobicContact CG2-CB 4.23Å; I71-P101 HydrophobicContact CG2-CG 3.88Å; I71-I113 HydrophobicContact CD1-CG2 3.96Å
72	G	90.4	Very high	95.5	Very high	20 Å²	20	20.6 Å²	20.6	21%	0.206	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-63.7	-19	-176.9	0	0	0	0	0	113.7	D70 Q78	D70-G72 VanDerWaalsContact C-N 3.26Å; D70-G72 PolarHBondContact O-N 3.17Å; D70-G72 PolarHBondContact OD1-N 3.45Å; D70-G72 VanDerWaalsContact OD1-N 3.09Å; G72-Q78 PolarHBondContact O-NE2 2.81Å
73	R	89.1	Confident	95.5	Very high	186 Å²	186	19.5 Å²	19.5	70%	0.702	10%	0.098	S	C	*	.	G	3₁₀ helix	trans	-107.5	13.3	178.5	-63.5	-179.8	-175.1	-170.7	5.1	113.7	D70 I71 P75 S99	D70-R73 HydrophobicContact CB-CB 4.28Å; D70-R73 HydrophobicContact CB-CG 4.44Å; D70-R73 PolarHBondContact O-N 2.99Å; D70-R73 VanDerWaalsContact O-N 3.15Å; D70-R73 WeakPolarHBondContact OD2-CD 3.46Å; D70-R73 WeakPolarHBondContact OD2-CG 3.28Å; D70-R73 IonicContact OD2-NE 3.74Å; D70-R73 PolarHBondContact OD2-NE 3.43Å; I71-R73 PolarHBondContact O-N 2.8Å; I71-R73 VanDerWaalsContact O-N 3.1Å; R73-P75 VanDerWaalsContact O-CD 3.22Å; R73-P75 WeakPolarHBondContact O-CD 3.4Å; R73-S99 PolarHBondContact NE-OG 3.37Å
74	S	93.5	Very high	95.5	Very high	11 Å²	11	19.5 Å²	19.5	8%	0.077	10%	0.098	C	C	.	.			trans	-117.5	68.1	-178.8	-56.2	0	0	0	0	110.6	V67 D70 I71 R76 M77 Q78	V67-S74 WeakPolarHBondContact CG1-OG 3.49Å; D70-S74 PolarHBondContact O-N 3.21Å; D70-S74 PolarHBondContact O-OG 2.95Å; I71-S74 PolarHBondContact O-N 3.39Å; S74-R76 PolarHBondContact O-N 3.34Å; S74-M77 PolarHBondContact O-N 3.15Å; S74-M77 VanDerWaalsContact O-N 3.17Å; S74-Q78 WeakPolarHBondContact O-CG 3.21Å; S74-Q78 PolarHBondContact O-N 3.07Å
75	P	92.3	Very high	95.5	Very high	58 Å²	58	19.5 Å²	19.5	38%	0.377	10%	0.098	S	C	.	.	H	α-helix	trans	-59.8	-42.5	-170.6	23.2	-33.7	0	0	0	112.8	R73 M77 Q78 Y79	R73-P75 VanDerWaalsContact O-CD 3.22Å; R73-P75 WeakPolarHBondContact O-CD 3.4Å; P75-M77 VanDerWaalsContact C-N 3.3Å; P75-M77 PolarHBondContact O-N 3.4Å; P75-Q78 WeakPolarHBondContact O-CA 3.46Å; P75-Q78 WeakPolarHBondContact O-CB 3.28Å; P75-Q78 PolarHBondContact O-N 2.85Å; P75-Q78 VanDerWaalsContact O-N 3.11Å; P75-Y79 HydrophobicContact CB-CE2 4.3Å; P75-Y79 WeakPolarHBondContact O-CD2 3.36Å; P75-Y79 VanDerWaalsContact O-CG 3.28Å; P75-Y79 PolarHBondContact O-N 3.1Å
76	R	94.7	Very high	95.3	Very high	6 Å²	6	25.2 Å²	25.2	2%	0.023	12%	0.123	C	C	.	.	H	α-helix	trans	-55.3	-43.7	176.1	175.5	163	171.6	136.4	-2.9	112.6	S74 Y79 H80 D183 H185 L242 D244 W476	S74-R76 PolarHBondContact O-N 3.34Å; R76-Y79 PolarHBondContact O-N 3.21Å; R76-H80 PolarHBondContact O-CD2 3.28Å; R76-H80 PolarHBondContact O-N 3.32Å; R76-D183 IonicContact CZ-OD1 2.74Å; R76-D183 IonicContact CZ-OD2 2.87Å; R76-D183 IonicContact NE-OD1 3.51Å; R76-D183 PolarHBondContact NE-OD1 2.95Å; R76-D183 IonicContact NE-OD2 3.62Å; R76-D183 PolarHBondContact NE-OD2 3.1Å; R76-D183 IonicContact NH2-OD1 3.09Å; R76-D183 PolarHBondContact NH2-OD1 2.72Å; R76-D183 IonicContact NH2-OD2 3.45Å; R76-H185 VanDerWaalsContact CD-CE1 3.42Å; R76-H185 WeakPolarHBondContact CD-CE1 3.26Å; R76-H185 VanDerWaalsContact CD-NE2 3.34Å; R76-H185 WeakPolarHBondContact CD-NE2 3.28Å; R76-H185 PolarHBondContact NE-NE2 3.33Å; R76-L242 PolarHBondContact NH1-O 3.47Å; R76-L242 PolarHBondContact NH2-O 2.86Å; R76-L242 VanDerWaalsContact NH2-O 3.08Å; R76-D244 WeakPolarHBondContact CD-OD1 2.91Å; R76-D244 IonicContact CZ-OD2 2.64Å; R76-D244 IonicContact NH1-OD1 3.77Å; R76-D244 IonicContact NH1-OD2 2.82Å; R76-D244 PolarHBondContact NH1-OD2 2.98Å; R76-W476 HydrophobicContact CG-CH2 3.96Å; R76-W476 HydrophobicContact CG-CZ3 4.41Å
77	M	97.5	Very high	95.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-73.1	-31.7	179.3	-55.1	-56.1	-63.7	0	0	112.5	V65 V67 S74 P75 Y79 H80 A81 F93 L156 Q158	V65-M77 HydrophobicContact CG1-CB 4.23Å; V65-M77 HydrophobicContact CG1-CE 3.7Å; V67-M77 HydrophobicContact CG2-CB 3.63Å; V67-M77 HydrophobicContact CG2-CE 4.32Å; V67-M77 HydrophobicContact CG2-CG 3.58Å; S74-M77 PolarHBondContact O-N 3.15Å; S74-M77 VanDerWaalsContact O-N 3.17Å; P75-M77 VanDerWaalsContact C-N 3.3Å; P75-M77 PolarHBondContact O-N 3.4Å; M77-Y79 VanDerWaalsContact C-N 3.31Å; M77-H80 PolarHBondContact O-N 3.42Å; M77-A81 PolarHBondContact O-N 3.44Å; M77-F93 HydrophobicContact CB-CE2 4.18Å; M77-F93 HydrophobicContact CB-CZ 3.92Å; M77-L156 HydrophobicContact CE-CD2 4.4Å; M77-L156 HydrophobicContact CE-CG 4.15Å; M77-Q158 HydrophobicContact CE-CB 3.95Å; M77-Q158 HydrophobicContact CG-CB 3.93Å; M77-Q158 HydrophobicContact CG-CG 4.11Å; M77-Q158 HydrophobicContact SD-CB 3.79Å; M77-Q158 HydrophobicContact SD-CG 4.14Å
78	Q	96.4	Very high	95.2	Very high	8 Å²	8	29.4 Å²	29.4	4%	0.037	15%	0.151	C	C	.	.	H	α-helix	trans	-62.7	-39.5	168.8	-68	178.4	65.3	0	0	111.2	I71 G72 S74 P75 A81 L82 F93 V105	I71-Q78 HydrophobicContact CG2-CG 4.32Å; I71-Q78 PolarHBondContact O-NE2 3.13Å; G72-Q78 PolarHBondContact O-NE2 2.81Å; S74-Q78 WeakPolarHBondContact O-CG 3.21Å; S74-Q78 PolarHBondContact O-N 3.07Å; P75-Q78 WeakPolarHBondContact O-CA 3.46Å; P75-Q78 WeakPolarHBondContact O-CB 3.28Å; P75-Q78 PolarHBondContact O-N 2.85Å; P75-Q78 VanDerWaalsContact O-N 3.11Å; Q78-A81 PolarHBondContact O-N 3.39Å; Q78-L82 WeakPolarHBondContact O-CG 3.33Å; Q78-L82 PolarHBondContact O-N 2.8Å; Q78-F93 HydrophobicContact CB-CE1 4.33Å; Q78-F93 HydrophobicContact CG-CE1 3.76Å; Q78-F93 HydrophobicContact CG-CZ 4.04Å; Q78-V105 HydrophobicContact CB-CG2 3.86Å; Q78-V105 HydrophobicContact CG-CG2 4.19Å
79	Y	95.6	Very high	95.3	Very high	50 Å²	50	29.1 Å²	29.1	20%	0.196	15%	0.149	C	C	.	.	H	α-helix	trans	-69	-39.2	175.1	-57.1	-30.8	0	0	0	112.7	P75 R76 M77 A81 L82 S83 A247 W476	P75-Y79 HydrophobicContact CB-CE2 4.3Å; P75-Y79 WeakPolarHBondContact O-CD2 3.36Å; P75-Y79 VanDerWaalsContact O-CG 3.28Å; P75-Y79 PolarHBondContact O-N 3.1Å; R76-Y79 PolarHBondContact O-N 3.21Å; M77-Y79 VanDerWaalsContact C-N 3.31Å; Y79-A81 VanDerWaalsContact C-N 3.32Å; Y79-A81 PolarHBondContact O-N 2.82Å; Y79-L82 HydrophobicContact CD1-CD1 4.42Å; Y79-L82 PolarHBondContact O-N 3.28Å; Y79-S83 WeakPolarHBondContact O-CB 3.22Å; Y79-S83 PolarHBondContact O-N 3.2Å; Y79-S83 PolarHBondContact O-OG 3.44Å; Y79-S83 VanDerWaalsContact O-OG 3.11Å; Y79-A247 WeakPolarHBondContact OH-CB 3.03Å; Y79-W476 HydrophobicContact CD2-CD2 4.29Å; Y79-W476 HydrophobicContact CD2-CE3 4.49Å
80	H	97.9	Very high	95.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-55.3	-47.2	169.1	-81.6	-78.5	0	0	0	111.8	R76 M77 L82 S83 L84 L156 D183 L242 W476 W480	R76-H80 PolarHBondContact O-CD2 3.28Å; R76-H80 PolarHBondContact O-N 3.32Å; M77-H80 PolarHBondContact O-N 3.42Å; H80-L82 VanDerWaalsContact C-N 3.34Å; H80-L82 PolarHBondContact O-N 2.87Å; H80-S83 PolarHBondContact O-N 2.8Å; H80-L84 WeakPolarHBondContact O-CB 3.45Å; H80-L84 WeakPolarHBondContact O-CD1 3.23Å; H80-L84 WeakPolarHBondContact O-CG 3.33Å; H80-L84 PolarHBondContact O-N 3.17Å; H80-L156 HydrophobicContact CB-CD2 3.8Å; H80-L156 WeakPolarHBondContact ND1-CD2 3.38Å; H80-D183 IonicContact CD2-OD2 3.59Å; H80-D183 IonicContact NE2-OD2 3.36Å; H80-D183 PolarHBondContact NE2-OD2 3.46Å; H80-L242 WeakPolarHBondContact CE1-CD2 3.38Å; H80-W476 AromaticContact NE2-CH2 3.77Å; H80-W480 AromaticContact CE1-CD1 3.88Å; H80-W480 AromaticContact CE1-NE1 3.48Å; H80-W480 PolarHBondContact CE1-NE1 3.05Å; H80-W480 AromaticContact CG-NE1 3.78Å; H80-W480 AromaticContact ND1-CD1 3.74Å; H80-W480 AromaticContact ND1-CE2 3.98Å; H80-W480 AromaticContact ND1-NE1 2.94Å; H80-W480 PolarHBondContact ND1-NE1 3.39Å
81	A	98.2	Very high	95.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.9	-42	179.2	0	0	0	0	0	112.3	V65 M77 Q78 Y79 S85 V91 F93 I111	V65-A81 HydrophobicContact CG2-CB 4.41Å; M77-A81 PolarHBondContact O-N 3.44Å; Q78-A81 PolarHBondContact O-N 3.39Å; Y79-A81 VanDerWaalsContact C-N 3.32Å; Y79-A81 PolarHBondContact O-N 2.82Å; A81-S85 PolarHBondContact O-N 3.37Å; A81-S85 VanDerWaalsContact O-N 3.07Å; A81-V91 HydrophobicContact CB-CG1 3.97Å; A81-F93 HydrophobicContact CB-CD1 3.94Å; A81-F93 HydrophobicContact CB-CE1 4.09Å; A81-I111 HydrophobicContact CB-CD1 4.01Å
82	L	97.4	Very high	96	Very high	22 Å²	22	33.3 Å²	33.3	12%	0.115	17%	0.165	C	C	.	.	H	α-helix	trans	-67	-47.1	176.7	-70.9	167.7	0	0	0	112.3	Q78 Y79 H80 L84 S85 K86 D104 V105 I111	Q78-L82 WeakPolarHBondContact O-CG 3.33Å; Q78-L82 PolarHBondContact O-N 2.8Å; Y79-L82 HydrophobicContact CD1-CD1 4.42Å; Y79-L82 PolarHBondContact O-N 3.28Å; H80-L82 VanDerWaalsContact C-N 3.34Å; H80-L82 PolarHBondContact O-N 2.87Å; L82-L84 VanDerWaalsContact C-N 3.32Å; L82-L84 PolarHBondContact O-N 2.9Å; L82-S85 WeakPolarHBondContact O-CB 3.33Å; L82-S85 PolarHBondContact O-N 2.84Å; L82-K86 WeakPolarHBondContact O-CG 3.5Å; L82-K86 PolarHBondContact O-N 3.29Å; L82-D104 HydrophobicContact CD1-CB 4.11Å; L82-D104 HydrophobicContact CD2-CB 3.98Å; L82-V105 HydrophobicContact CD1-CG2 3.95Å; L82-V105 HydrophobicContact CD2-CG2 4.22Å; L82-V105 HydrophobicContact CG-CG2 3.94Å; L82-I111 HydrophobicContact CD2-CD1 3.9Å; L82-I111 HydrophobicContact CG-CD1 4.33Å
83	S	97.3	Very high	96.4	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.007	16%	0.155	C	C	.	.	H	α-helix	trans	-63.3	-37.6	178.8	-59.5	0	0	0	0	111.9	Y79 H80 K86 H87 W476 D477 W480	Y79-S83 WeakPolarHBondContact O-CB 3.22Å; Y79-S83 PolarHBondContact O-N 3.2Å; Y79-S83 PolarHBondContact O-OG 3.44Å; Y79-S83 VanDerWaalsContact O-OG 3.11Å; H80-S83 PolarHBondContact O-N 2.8Å; S83-K86 PolarHBondContact O-N 3.49Å; S83-H87 PolarHBondContact O-N 2.86Å; S83-H87 PolarHBondContact O-ND1 2.92Å; S83-W476 PolarHBondContact OG-NE1 3.13Å; S83-D477 PolarHBondContact OG-OD1 3.19Å; S83-W480 VanDerWaalsContact CB-CD2 3.43Å
84	L	97.9	Very high	96.8	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-60.5	-47	171.1	-76	166.1	0	0	0	112.1	V63 V65 H80 L82 K86 H87 G88 Y89 V91 W480 L488	V63-L84 HydrophobicContact CB-CD1 4.15Å; V63-L84 HydrophobicContact CB-CD2 4.34Å; V63-L84 HydrophobicContact CG1-CD1 3.65Å; V63-L84 HydrophobicContact CG1-CD2 4.24Å; V63-L84 HydrophobicContact CG2-CD2 4.06Å; V65-L84 HydrophobicContact CG2-CD1 3.59Å; H80-L84 WeakPolarHBondContact O-CB 3.45Å; H80-L84 WeakPolarHBondContact O-CD1 3.23Å; H80-L84 WeakPolarHBondContact O-CG 3.33Å; H80-L84 PolarHBondContact O-N 3.17Å; L82-L84 VanDerWaalsContact C-N 3.32Å; L82-L84 PolarHBondContact O-N 2.9Å; L84-K86 PolarHBondContact O-N 3.45Å; L84-H87 CarbonylContact O-C 3.58Å; L84-H87 PolarHBondContact O-N 2.97Å; L84-H87 VanDerWaalsContact O-N 3.14Å; L84-G88 PolarHBondContact O-N 3.29Å; L84-Y89 HydrophobicContact CD2-CD2 4.13Å; L84-Y89 HydrophobicContact CD2-CG 4.25Å; L84-Y89 WeakPolarHBondContact O-CB 3.4Å; L84-Y89 PolarHBondContact O-N 3.3Å; L84-Y89 VanDerWaalsContact O-N 3.09Å; L84-V91 HydrophobicContact CB-CG2 3.53Å; L84-V91 HydrophobicContact CD1-CG2 4.25Å; L84-W480 HydrophobicContact CD2-CH2 3.94Å; L84-W480 HydrophobicContact CD2-CZ2 3.98Å; L84-W480 HydrophobicContact CG-CH2 4.18Å; L84-W480 HydrophobicContact CG-CZ2 3.88Å; L84-L488 HydrophobicContact CD2-CD1 3.38Å
85	S	97.4	Very high	97	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.9	-44.5	177.7	177.2	0	0	0	0	112.4	A81 L82 H87 G88 E108 K110	A81-S85 PolarHBondContact O-N 3.37Å; A81-S85 VanDerWaalsContact O-N 3.07Å; L82-S85 WeakPolarHBondContact O-CB 3.33Å; L82-S85 PolarHBondContact O-N 2.84Å; S85-H87 PolarHBondContact O-N 3.32Å; S85-G88 PolarHBondContact O-N 3.48Å; S85-E108 WeakPolarHBondContact OG-CG 3.41Å; S85-E108 PolarHBondContact OG-OE1 2.96Å; S85-E108 PolarHBondContact OG-OE2 2.93Å; S85-K110 PolarHBondContact O-NZ 2.89Å
86	K	96.3	Very high	97.1	Very high	121 Å²	121	21.2 Å²	21.2	53%	0.526	11%	0.105	S	C	.	.	H	α-helix	trans	-55.9	-36.6	175.6	-72.2	175.5	-174.9	171.8	0	111.6	L82 S83 L84 G88 D477	L82-K86 WeakPolarHBondContact O-CG 3.5Å; L82-K86 PolarHBondContact O-N 3.29Å; S83-K86 PolarHBondContact O-N 3.49Å; L84-K86 PolarHBondContact O-N 3.45Å; K86-G88 PolarHBondContact O-N 2.93Å; K86-D477 IonicContact NZ-OD1 3.41Å; K86-D477 PolarHBondContact NZ-OD1 3.06Å; K86-D477 IonicContact NZ-OD2 3.39Å; K86-D477 PolarHBondContact NZ-OD2 3.08Å
87	H	96.4	Very high	97	Very high	56 Å²	56	25.6 Å²	25.6	26%	0.259	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	12.1	177	-72	84.3	0	0	0	114.7	R61 S83 L84 S85 Y89 W480 D481 L485	R61-H87 PolarHBondContact NH1-O 2.98Å; S83-H87 PolarHBondContact O-N 2.86Å; S83-H87 PolarHBondContact O-ND1 2.92Å; L84-H87 CarbonylContact O-C 3.58Å; L84-H87 PolarHBondContact O-N 2.97Å; L84-H87 VanDerWaalsContact O-N 3.14Å; S85-H87 PolarHBondContact O-N 3.32Å; H87-Y89 HydrophobicContact CB-CD2 3.98Å; H87-Y89 HydrophobicContact CB-CE2 4.11Å; H87-W480 AromaticContact ND1-CZ3 3.71Å; H87-D481 IonicContact CE1-OD1 2.64Å; H87-D481 PolarHBondContact CE1-OD1 3.44Å; H87-D481 IonicContact CE1-OD2 3.72Å; H87-D481 IonicContact ND1-OD1 3.48Å; H87-D481 IonicContact NE2-OD1 2.61Å; H87-D481 PolarHBondContact NE2-OD1 3.24Å; H87-D481 IonicContact NE2-OD2 2.75Å; H87-L485 HydrophobicContact CB-CD1 4.3Å
88	G	95.4	Very high	96.7	Very high	31 Å²	31	31.2 Å²	31.2	32%	0.32	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	10.8	173.4	0	0	0	0	0	115.1	L84 S85 K86	L84-G88 PolarHBondContact O-N 3.29Å; S85-G88 PolarHBondContact O-N 3.48Å; K86-G88 PolarHBondContact O-N 2.93Å
89	Y	97.1	Very high	96.3	Very high	8 Å²	8	32.2 Å²	32.2	3%	0.031	17%	0.166	C	C	.	.			trans	-80.1	144.4	173.6	-67.4	-91.6	0	0	0	111.2	R61 V63 L84 H87 L488	R61-Y89 CarbonylContact O-C 3.34Å; R61-Y89 VanDerWaalsContact O-CA 3.29Å; R61-Y89 WeakPolarHBondContact O-CA 3.5Å; V63-Y89 HydrophobicContact CG2-CD1 3.58Å; V63-Y89 HydrophobicContact CG2-CE1 4.15Å; V63-Y89 HydrophobicContact CG2-CG 4.12Å; L84-Y89 HydrophobicContact CD2-CD2 4.13Å; L84-Y89 HydrophobicContact CD2-CG 4.25Å; L84-Y89 WeakPolarHBondContact O-CB 3.4Å; L84-Y89 PolarHBondContact O-N 3.3Å; L84-Y89 VanDerWaalsContact O-N 3.09Å; H87-Y89 HydrophobicContact CB-CD2 3.98Å; H87-Y89 HydrophobicContact CB-CE2 4.11Å; Y89-L488 HydrophobicContact CE2-CD1 4.31Å
90	Q	97.9	Very high	96.1	Very high	100 Å²	100	36.6 Å²	36.6	47%	0.467	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	119.6	165.5	-66.5	-66.3	-6.5	0	0	108.3	R61 R62 V63 K110	R61-Q90 PolarHBondContact O-N 2.96Å; R62-Q90 WeakPolarHBondContact CA-O 3.43Å; R62-Q90 HydrophobicContact CG-CB 4.1Å; V63-Q90 PolarHBondContact N-O 3.47Å; Q90-K110 PolarHBondContact OE1-O 3.42Å
91	V	98.5	Very high	95.8	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.018	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	124	-171.1	-177.9	0	0	0	0	110.2	V63 V65 A81 L84 K110 I111 R112	V63-V91 CarbonylContact O-C 3.58Å; V63-V91 WeakPolarHBondContact O-CA 3.5Å; V65-V91 HydrophobicContact CB-CG1 4.38Å; V65-V91 HydrophobicContact CG2-CG1 3.77Å; A81-V91 HydrophobicContact CB-CG1 3.97Å; L84-V91 HydrophobicContact CB-CG2 3.53Å; L84-V91 HydrophobicContact CD1-CG2 4.25Å; V91-K110 PolarHBondContact N-O 3.27Å; V91-I111 HydrophobicContact CB-CG1 4.08Å; V91-I111 HydrophobicContact CG2-CG1 4.48Å; V91-R112 PolarHBondContact O-N 2.96Å
92	T	98.4	Very high	95.4	Very high	17 Å²	17	41 Å²	41	10%	0.104	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	111.2	165	-58.7	0	0	0	0	109.4	V63 C64 V65 V94 R112 V114 L149	V63-T92 PolarHBondContact O-N 3.48Å; C64-T92 CarbonylContact C-O 3.53Å; C64-T92 VanDerWaalsContact CA-O 3.3Å; C64-T92 WeakPolarHBondContact CA-O 3.23Å; V65-T92 PolarHBondContact N-O 2.79Å; T92-V94 HydrophobicContact CG2-CG2 3.97Å; T92-R112 CarbonylContact C-O 3.53Å; T92-R112 WeakPolarHBondContact CA-O 3.44Å; T92-V114 HydrophobicContact CG2-CB 4.38Å; T92-V114 HydrophobicContact CG2-CG2 3.71Å; T92-L149 HydrophobicContact CG2-CD1 3.87Å; T92-L149 HydrophobicContact CG2-CD2 3.97Å
93	F	98.4	Very high	95	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	107.2	-177.3	-161.7	174.2	0	0	0	110.6	V65 V67 I71 M77 Q78 A81 V105 I111 R112 I113 V114	V65-F93 HydrophobicContact CB-CD2 3.94Å; V65-F93 HydrophobicContact CB-CE2 4.32Å; V65-F93 HydrophobicContact CB-CG 4.44Å; V65-F93 HydrophobicContact CG1-CD2 3.79Å; V65-F93 HydrophobicContact CG1-CE2 3.65Å; V65-F93 HydrophobicContact CG1-CZ 4.29Å; V65-F93 CarbonylContact O-C 3.52Å; V65-F93 WeakPolarHBondContact O-CA 3.29Å; V65-F93 WeakPolarHBondContact O-CD2 3.38Å; V67-F93 HydrophobicContact CG2-CE2 3.77Å; V67-F93 HydrophobicContact CG2-CZ 4.49Å; I71-F93 HydrophobicContact CB-CZ 4.44Å; I71-F93 HydrophobicContact CD1-CD2 3.99Å; I71-F93 HydrophobicContact CD1-CE2 4.27Å; I71-F93 HydrophobicContact CD1-CG 4.18Å; I71-F93 HydrophobicContact CG1-CD2 4.27Å; I71-F93 HydrophobicContact CG1-CE2 4.04Å; I71-F93 HydrophobicContact CG1-CZ 4.35Å; I71-F93 HydrophobicContact CG2-CD1 3.99Å; I71-F93 HydrophobicContact CG2-CE1 3.5Å; I71-F93 VanDerWaalsContact CG2-CE1 3.5Å; I71-F93 HydrophobicContact CG2-CE2 4.11Å; I71-F93 HydrophobicContact CG2-CZ 3.58Å; M77-F93 HydrophobicContact CB-CE2 4.18Å; M77-F93 HydrophobicContact CB-CZ 3.92Å; Q78-F93 HydrophobicContact CB-CE1 4.33Å; Q78-F93 HydrophobicContact CG-CE1 3.76Å; Q78-F93 HydrophobicContact CG-CZ 4.04Å; A81-F93 HydrophobicContact CB-CD1 3.94Å; A81-F93 HydrophobicContact CB-CE1 4.09Å; F93-V105 HydrophobicContact CD1-CG1 4.15Å; F93-V105 HydrophobicContact CE1-CG1 4.42Å; F93-I111 HydrophobicContact CB-CG2 4.19Å; F93-R112 PolarHBondContact N-O 2.86Å; F93-I113 HydrophobicContact CB-CG1 4.48Å; F93-I113 CarbonylContact O-C 3.57Å; F93-I113 WeakPolarHBondContact O-CA 3.49Å; F93-V114 PolarHBondContact O-N 3.2Å
94	V	98.4	Very high	94.8	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	129.9	-173.3	-174.6	0	0	0	0	110.9	V65 L66 V67 T92 V114 I116 V145 L149	V65-V94 PolarHBondContact O-N 2.93Å; L66-V94 HydrophobicContact CD1-CB 3.84Å; L66-V94 HydrophobicContact CD1-CG1 3.76Å; V67-V94 PolarHBondContact N-O 3.05Å; T92-V94 HydrophobicContact CG2-CG2 3.97Å; V94-V114 WeakPolarHBondContact CA-O 3.19Å; V94-V114 HydrophobicContact CG2-CB 4.22Å; V94-I116 HydrophobicContact CG1-CG2 3.71Å; V94-V145 HydrophobicContact CG1-CG1 4.16Å; V94-L149 HydrophobicContact CG2-CD1 4.16Å
95	G	97.1	Very high	94.6	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.8	-172.3	176.8	0	0	0	0	0	114.5	V67 V114 G115 I116	V67-G95 WeakPolarHBondContact O-CA 3.46Å; G95-V114 PolarHBondContact N-O 3.29Å; G95-G115 CarbonylContact O-C 3.59Å; G95-G115 WeakPolarHBondContact O-CA 3.28Å; G95-I116 PolarHBondContact O-N 2.86Å
96	F	95.3	Very high	94.5	Very high	21 Å²	21	51.6 Å²	51.6	9%	0.092	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	150	175.8	-47.9	-34.8	0	0	0	110.5	G69 I71 I116 E118	G69-F96 PolarHBondContact O-N 3.1Å; I71-F96 PolarHBondContact N-O 2.68Å; F96-I116 HydrophobicContact CD1-CD1 4.18Å; F96-I116 HydrophobicContact CD1-CG1 3.67Å; F96-I116 WeakPolarHBondContact CD1-O 3.33Å; F96-I116 HydrophobicContact CE1-CD1 3.8Å; F96-I116 HydrophobicContact CE1-CG1 3.73Å; F96-E118 HydrophobicContact CD1-CB 4.49Å; F96-E118 HydrophobicContact CE1-CB 4.23Å; F96-E118 HydrophobicContact CE2-CB 4.28Å; F96-E118 HydrophobicContact CE2-CG 4.02Å; F96-E118 HydrophobicContact CZ-CB 4.14Å; F96-E118 HydrophobicContact CZ-CG 4.03Å
97	L	93.1	Very high	94.5	Very high	99 Å²	99	53.2 Å²	53.2	52%	0.518	27%	0.269	S	S	.	.			trans	-113.7	35.6	-175.7	-56.3	-178.8	0	0	0	111.9	I71 I113	I71-L97 HydrophobicContact CD1-CD2 4.02Å; L97-I113 HydrophobicContact CD2-CG2 3.5Å; L97-I113 VanDerWaalsContact CD2-CG2 3.5Å
98	D	89.9	Confident	94.6	Very high	117 Å²	117	53.4 Å²	53.4	63%	0.626	27%	0.27	S	S	*	.	S	Bend	trans	-73	-32.8	-174.9	-61	-37.6	0	0	0	112	D70	D70-D98 HydrophobicContact CB-CB 4.43Å; D70-D98 PolarHBondContact OD1-N 2.82Å
99	S	88.2	Confident	94.6	Very high	29 Å²	29	60.9 Å²	60.9	20%	0.203	30%	0.296	C	S	.	.	S	Bend	trans	-121.4	152	175.7	-49.5	0	0	0	0	111.3	D70 R73 P101	D70-S99 PolarHBondContact OD1-N 2.58Å; D70-S99 WeakPolarHBondContact OD2-CB 3.36Å; D70-S99 PolarHBondContact OD2-N 3.25Å; D70-S99 PolarHBondContact OD2-OG 2.86Å; R73-S99 PolarHBondContact NE-OG 3.37Å; S99-P101 WeakPolarHBondContact O-CD 3.35Å
100	K	91.4	Very high	94.7	Very high	143 Å²	143	63.9 Å²	63.9	62%	0.622	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-68.6	126.2	178.2	-171.1	179.1	178.7	-179.6	0	110.7	L106	K100-L106 HydrophobicContact CD-CD1 4.27Å; K100-L106 HydrophobicContact CG-CD1 3.87Å
101	P	91.9	Very high	94.7	Very high	15 Å²	15	59.9 Å²	59.9	10%	0.097	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-64.7	166.9	171.6	-20.6	32.9	0	0	0	113.4	I71 S99 V105 L106 I113	I71-P101 HydrophobicContact CG2-CB 4.23Å; I71-P101 HydrophobicContact CG2-CG 3.88Å; S99-P101 WeakPolarHBondContact O-CD 3.35Å; P101-V105 HydrophobicContact CB-CB 4.42Å; P101-V105 HydrophobicContact CB-CG1 4.41Å; P101-L106 HydrophobicContact CB-CD2 4.3Å; P101-L106 HydrophobicContact CB-CG 4.34Å; P101-L106 HydrophobicContact CG-CD2 4.17Å; P101-I113 HydrophobicContact CG-CD1 4.08Å
102	H	88.8	Confident	94.7	Very high	76 Å²	76	67.3 Å²	67.3	35%	0.352	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-54.8	142.3	173.9	-165.4	-94.1	0	0	0	110.8	D104 V105 L106	H102-D104 VanDerWaalsContact CE1-CG 3.46Å; H102-D104 IonicContact CE1-OD1 2.77Å; H102-D104 IonicContact CE1-OD2 3.57Å; H102-D104 PolarHBondContact CE1-OD2 2.92Å; H102-D104 WeakPolarHBondContact ND1-CB 3.32Å; H102-D104 PolarHBondContact ND1-N 3.44Å; H102-D104 IonicContact ND1-OD2 3.44Å; H102-D104 PolarHBondContact ND1-OD2 2.82Å; H102-D104 PolarHBondContact O-N 3.11Å; H102-V105 HydrophobicContact CB-CG2 4.27Å; H102-V105 WeakPolarHBondContact O-CB 3.28Å; H102-V105 PolarHBondContact O-N 3.44Å; H102-L106 PolarHBondContact O-N 2.99Å
103	Q	90.3	Very high	94.6	Very high	89 Å²	89	68.9 Å²	68.9	42%	0.416	33%	0.326	S	S	.	.	H	α-helix	trans	-59.1	-35.4	-175.3	-68.4	-76	-3.7	0	0	112.2	V105 L106 K107	Q103-V105 VanDerWaalsContact C-N 3.31Å; Q103-V105 PolarHBondContact O-N 3.07Å; Q103-L106 PolarHBondContact O-N 3.48Å; Q103-K107 WeakPolarHBondContact O-CB 3.28Å; Q103-K107 VanDerWaalsContact O-CG 3.29Å; Q103-K107 WeakPolarHBondContact O-CG 3.47Å; Q103-K107 PolarHBondContact O-N 3.47Å
104	D	92.3	Very high	94.6	Very high	83 Å²	83	70.1 Å²	70.1	44%	0.444	33%	0.334	S	S	.	.	H	α-helix	trans	-64.6	-35.9	178.2	-59.6	-14.5	0	0	0	112.1	L82 H102 L106 K107 E108	L82-D104 HydrophobicContact CD1-CB 4.11Å; L82-D104 HydrophobicContact CD2-CB 3.98Å; H102-D104 VanDerWaalsContact CE1-CG 3.46Å; H102-D104 IonicContact CE1-OD1 2.77Å; H102-D104 IonicContact CE1-OD2 3.57Å; H102-D104 PolarHBondContact CE1-OD2 2.92Å; H102-D104 WeakPolarHBondContact ND1-CB 3.32Å; H102-D104 PolarHBondContact ND1-N 3.44Å; H102-D104 IonicContact ND1-OD2 3.44Å; H102-D104 PolarHBondContact ND1-OD2 2.82Å; H102-D104 PolarHBondContact O-N 3.11Å; D104-L106 VanDerWaalsContact C-N 3.33Å; D104-K107 PolarHBondContact O-N 2.93Å; D104-E108 VanDerWaalsContact O-CB 3.32Å; D104-E108 WeakPolarHBondContact O-CB 3.41Å; D104-E108 PolarHBondContact O-N 3.41Å
105	V	94.9	Very high	94.5	Very high	1 Å²	1	72.1 Å²	72.1	1%	0.006	35%	0.354	C	S	.	.	H	α-helix	trans	-66.5	-39.9	174.8	178.3	0	0	0	0	110.4	Q78 L82 F93 P101 H102 Q103 K107 I111 I113	Q78-V105 HydrophobicContact CB-CG2 3.86Å; Q78-V105 HydrophobicContact CG-CG2 4.19Å; L82-V105 HydrophobicContact CD1-CG2 3.95Å; L82-V105 HydrophobicContact CD2-CG2 4.22Å; L82-V105 HydrophobicContact CG-CG2 3.94Å; F93-V105 HydrophobicContact CD1-CG1 4.15Å; F93-V105 HydrophobicContact CE1-CG1 4.42Å; P101-V105 HydrophobicContact CB-CB 4.42Å; P101-V105 HydrophobicContact CB-CG1 4.41Å; H102-V105 HydrophobicContact CB-CG2 4.27Å; H102-V105 WeakPolarHBondContact O-CB 3.28Å; H102-V105 PolarHBondContact O-N 3.44Å; Q103-V105 VanDerWaalsContact C-N 3.31Å; Q103-V105 PolarHBondContact O-N 3.07Å; V105-K107 VanDerWaalsContact C-N 3.35Å; V105-I111 HydrophobicContact CG1-CD1 4.37Å; V105-I111 HydrophobicContact CG1-CG2 4.01Å; V105-I113 HydrophobicContact CG1-CD1 4.31Å
106	L	95.1	Very high	94.3	Very high	75 Å²	75	72.6 Å²	72.6	39%	0.393	36%	0.356	S	S	.	.	H	α-helix	trans	-72.7	-27.1	-178.8	-64.9	175.4	0	0	0	113.5	K100 P101 H102 Q103 D104 I113	K100-L106 HydrophobicContact CD-CD1 4.27Å; K100-L106 HydrophobicContact CG-CD1 3.87Å; P101-L106 HydrophobicContact CB-CD2 4.3Å; P101-L106 HydrophobicContact CB-CG 4.34Å; P101-L106 HydrophobicContact CG-CD2 4.17Å; H102-L106 PolarHBondContact O-N 2.99Å; Q103-L106 PolarHBondContact O-N 3.48Å; D104-L106 VanDerWaalsContact C-N 3.33Å; L106-I113 HydrophobicContact CD2-CD1 3.85Å
107	K	96.2	Very high	94.1	Very high	155 Å²	155	75.6 Å²	75.6	67%	0.674	38%	0.38	S	S	*	.	H	α-helix	trans	-90.1	-16.6	-179.2	-71.3	174.3	-177.7	178.7	0	113.4	Q103 D104 V105 E109	Q103-K107 WeakPolarHBondContact O-CB 3.28Å; Q103-K107 VanDerWaalsContact O-CG 3.29Å; Q103-K107 WeakPolarHBondContact O-CG 3.47Å; Q103-K107 PolarHBondContact O-N 3.47Å; D104-K107 PolarHBondContact O-N 2.93Å; V105-K107 VanDerWaalsContact C-N 3.35Å; K107-E109 PolarHBondContact O-N 3.42Å
108	E	97.3	Very high	93.8	Very high	60 Å²	60	75.1 Å²	75.1	28%	0.28	38%	0.375	S	S	.	.			trans	-78.5	119.7	-176	176.9	58.6	-96.9	0	0	111.8	S85 D104 K110 I111	S85-E108 WeakPolarHBondContact OG-CG 3.41Å; S85-E108 PolarHBondContact OG-OE1 2.96Å; S85-E108 PolarHBondContact OG-OE2 2.93Å; D104-E108 VanDerWaalsContact O-CB 3.32Å; D104-E108 WeakPolarHBondContact O-CB 3.41Å; D104-E108 PolarHBondContact O-N 3.41Å; E108-K110 VanDerWaalsContact C-N 3.31Å; E108-K110 PolarHBondContact O-N 2.85Å; E108-K110 PolarHBondContact OE1-N 3.37Å; E108-I111 HydrophobicContact CB-CB 4.36Å; E108-I111 HydrophobicContact CB-CD1 3.85Å; E108-I111 HydrophobicContact CB-CG1 4.1Å; E108-I111 HydrophobicContact CG-CB 4.23Å; E108-I111 HydrophobicContact CG-CD1 3.66Å; E108-I111 HydrophobicContact CG-CG1 3.61Å; E108-I111 PolarHBondContact O-N 3.33Å
109	E	97	Very high	93.6	Very high	188 Å²	188	70.4 Å²	70.4	88%	0.879	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-29	-174.2	-63.8	-175	170	0	0	112.9	K107 I111	K107-E109 PolarHBondContact O-N 3.42Å; E109-I111 VanDerWaalsContact C-N 3.27Å; E109-I111 PolarHBondContact O-N 3.14Å
110	K	97.4	Very high	93.1	Very high	71 Å²	71	74.9 Å²	74.9	31%	0.309	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-6	178.4	-59.9	-179.1	-165	160	0	113.5	S85 Q90 V91 E108	S85-K110 PolarHBondContact O-NZ 2.89Å; Q90-K110 PolarHBondContact OE1-O 3.42Å; V91-K110 PolarHBondContact N-O 3.27Å; E108-K110 VanDerWaalsContact C-N 3.31Å; E108-K110 PolarHBondContact O-N 2.85Å; E108-K110 PolarHBondContact OE1-N 3.37Å
111	I	98.4	Very high	92.3	Very high	15 Å²	15	69.2 Å²	69.2	8%	0.077	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	112.2	178.4	-59.6	172.8	0	0	0	109.5	A81 L82 V91 F93 V105 E108 E109	A81-I111 HydrophobicContact CB-CD1 4.01Å; L82-I111 HydrophobicContact CD2-CD1 3.9Å; L82-I111 HydrophobicContact CG-CD1 4.33Å; V91-I111 HydrophobicContact CB-CG1 4.08Å; V91-I111 HydrophobicContact CG2-CG1 4.48Å; F93-I111 HydrophobicContact CB-CG2 4.19Å; V105-I111 HydrophobicContact CG1-CD1 4.37Å; V105-I111 HydrophobicContact CG1-CG2 4.01Å; E108-I111 HydrophobicContact CB-CB 4.36Å; E108-I111 HydrophobicContact CB-CD1 3.85Å; E108-I111 HydrophobicContact CB-CG1 4.1Å; E108-I111 HydrophobicContact CG-CB 4.23Å; E108-I111 HydrophobicContact CG-CD1 3.66Å; E108-I111 HydrophobicContact CG-CG1 3.61Å; E108-I111 PolarHBondContact O-N 3.33Å; E109-I111 VanDerWaalsContact C-N 3.27Å; E109-I111 PolarHBondContact O-N 3.14Å
112	R	97.9	Very high	91.6	Very high	159 Å²	159	72.6 Å²	72.6	60%	0.6	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	118.6	172.3	-178.4	179.8	172.1	-167.4	-3	110.4	V91 T92 F93	V91-R112 PolarHBondContact O-N 2.96Å; T92-R112 CarbonylContact C-O 3.53Å; T92-R112 WeakPolarHBondContact CA-O 3.44Å; F93-R112 PolarHBondContact N-O 2.86Å
113	I	97.9	Very high	90.8	Very high	50 Å²	50	78.8 Å²	78.8	26%	0.256	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	133.7	175.7	-58.8	177.6	0	0	0	110.6	I71 F93 L97 P101 V105 L106	I71-I113 HydrophobicContact CD1-CG2 3.96Å; F93-I113 HydrophobicContact CB-CG1 4.48Å; F93-I113 CarbonylContact O-C 3.57Å; F93-I113 WeakPolarHBondContact O-CA 3.49Å; L97-I113 HydrophobicContact CD2-CG2 3.5Å; L97-I113 VanDerWaalsContact CD2-CG2 3.5Å; P101-I113 HydrophobicContact CG-CD1 4.08Å; V105-I113 HydrophobicContact CG1-CD1 4.31Å; L106-I113 HydrophobicContact CD2-CD1 3.85Å
114	V	97.4	Very high	89.6	Confident	27 Å²	27	78.3 Å²	78.3	16%	0.164	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	109.2	175.1	176.2	0	0	0	0	109	T92 F93 V94 G95 V145 L149	T92-V114 HydrophobicContact CG2-CB 4.38Å; T92-V114 HydrophobicContact CG2-CG2 3.71Å; F93-V114 PolarHBondContact O-N 3.2Å; V94-V114 WeakPolarHBondContact CA-O 3.19Å; V94-V114 HydrophobicContact CG2-CB 4.22Å; G95-V114 PolarHBondContact N-O 3.29Å; V114-V145 HydrophobicContact CG1-CG1 4.25Å; V114-L149 HydrophobicContact CG2-CD2 4.36Å
115	G	95.8	Very high	88.6	Confident	41 Å²	41	77.1 Å²	77.1	42%	0.423	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	137.3	178.3	0	0	0	0	0	112.7	G95	G95-G115 CarbonylContact O-C 3.59Å; G95-G115 WeakPolarHBondContact O-CA 3.28Å
116	I	94.2	Very high	87.9	Confident	11 Å²	11	81.5 Å²	81.5	6%	0.056	43%	0.432	C	S	.	.			trans	-113.5	150.9	162.9	58.4	171.4	0	0	0	109.2	L68 V94 G95 F96 V145	L68-I116 HydrophobicContact CD1-CD1 3.86Å; V94-I116 HydrophobicContact CG1-CG2 3.71Å; G95-I116 PolarHBondContact O-N 2.86Å; F96-I116 HydrophobicContact CD1-CD1 4.18Å; F96-I116 HydrophobicContact CD1-CG1 3.67Å; F96-I116 WeakPolarHBondContact CD1-O 3.33Å; F96-I116 HydrophobicContact CE1-CD1 3.8Å; F96-I116 HydrophobicContact CE1-CG1 3.73Å; I116-V145 HydrophobicContact CG2-CB 4.43Å; I116-V145 HydrophobicContact CG2-CG1 4.09Å; I116-V145 HydrophobicContact CG2-CG2 3.95Å
117	S	90.3	Very high	87.1	Confident	83 Å²	83	86.1 Å²	86.1	58%	0.58	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-91.3	137.1	179.5	-49.9	0	0	0	0	110.6	V119 Q141	S117-V119 PolarHBondContact O-N 3.45Å; S117-Q141 VanDerWaalsContact N-NE2 3.16Å; S117-Q141 PolarHBondContact O-NE2 3.18Å; S117-Q141 VanDerWaalsContact O-NE2 3.17Å; S117-Q141 PolarHBondContact O-OE1 3.06Å; S117-Q141 VanDerWaalsContact O-OE1 3.08Å
118	E	86.4	Confident	86.3	Confident	89 Å²	89	83.8 Å²	83.8	42%	0.416	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-66.2	121.5	172.9	-165	-156.5	172.6	0	0	110.8	F96 K120 K134	F96-E118 HydrophobicContact CD1-CB 4.49Å; F96-E118 HydrophobicContact CE1-CB 4.23Å; F96-E118 HydrophobicContact CE2-CB 4.28Å; F96-E118 HydrophobicContact CE2-CG 4.02Å; F96-E118 HydrophobicContact CZ-CB 4.14Å; F96-E118 HydrophobicContact CZ-CG 4.03Å; E118-K120 PolarHBondContact O-N 3.44Å; E118-K134 IonicContact OE1-NZ 2.74Å; E118-K134 PolarHBondContact OE1-NZ 3.34Å
119	V	85.4	Confident	85.5	Confident	19 Å²	19	84.8 Å²	84.8	12%	0.115	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-80.7	119.3	175.1	178.7	0	0	0	0	109.8	S117 K134 V137 Q138	S117-V119 PolarHBondContact O-N 3.45Å; V119-K134 HydrophobicContact CB-CG 4.38Å; V119-K134 HydrophobicContact CG1-CB 4.38Å; V119-K134 HydrophobicContact CG1-CG 4.2Å; V119-K134 WeakPolarHBondContact O-CD 3.34Å; V119-K134 WeakPolarHBondContact O-CE 3.45Å; V119-K134 VanDerWaalsContact O-CG 3.29Å; V119-K134 WeakPolarHBondContact O-CG 3.38Å; V119-K134 PolarHBondContact O-NZ 3.07Å; V119-V137 HydrophobicContact CG1-CB 3.9Å; V119-V137 HydrophobicContact CG1-CG1 3.86Å; V119-V137 HydrophobicContact CG2-CG1 3.9Å; V119-Q138 HydrophobicContact CB-CB 4.4Å; V119-Q138 HydrophobicContact CG2-CB 4.23Å
120	K	77.9	Confident	84.9	Confident	122 Å²	122	77.3 Å²	77.3	53%	0.53	42%	0.418	S	S	.	.			trans	-87.9	-10.9	179.2	-64.3	-177.2	177.9	-178.2	0	114.1	E118	E118-K120 PolarHBondContact O-N 3.44Å
121	G	75.3	Confident	84.2	Confident	24 Å²	24	78.8 Å²	78.8	25%	0.247	42%	0.422	C	S	.	.			trans	70	-178.5	-176.7	0	0	0	0	0	113.8	R123	G121-R123 PolarHBondContact O-N 2.96Å
122	L	76.5	Confident	83.5	Confident	87 Å²	87	81.8 Å²	81.8	46%	0.455	44%	0.441	S	S	.	.			trans	-67.5	116.3	173.1	-81.9	162.2	0	0	0	109.6	A124 L129 T130 T133	L122-A124 VanDerWaalsContact C-N 3.28Å; L122-A124 PolarHBondContact O-N 3.42Å; L122-L129 HydrophobicContact CD1-CD2 4.34Å; L122-L129 HydrophobicContact CD1-CG 4.38Å; L122-T130 WeakPolarHBondContact O-CB 3.3Å; L122-T130 VanDerWaalsContact O-CG2 3.25Å; L122-T130 WeakPolarHBondContact O-CG2 3.25Å; L122-T130 PolarHBondContact O-OG1 2.75Å; L122-T133 HydrophobicContact CD1-CG2 3.99Å; L122-T133 HydrophobicContact CG-CG2 4.12Å
123	R	72.1	Confident	83	Confident	206 Å²	206	75.8 Å²	75.8	78%	0.777	42%	0.422	S	S	*	.	S	Bend	trans	-77.6	-12.6	-178.8	-61.7	-171.9	-173.4	177.1	5.9	113.8	G121	G121-R123 PolarHBondContact O-N 2.96Å
124	A	66.1	Low	82.6	Confident	78 Å²	78	76.7 Å²	76.7	65%	0.645	42%	0.424	S	S	*	.	S	Bend	trans	-111.2	134.8	178.4	0	0	0	0	0	110.1	L122	L122-A124 VanDerWaalsContact C-N 3.28Å; L122-A124 PolarHBondContact O-N 3.42Å
125	G	70.8	Confident	82.3	Confident	58 Å²	58	77.4 Å²	77.4	60%	0.598	43%	0.428	S	S	*	.	S	Bend	trans	113.1	-172.7	178	0	0	0	0	0	114.6
126	P	80.3	Confident	82.1	Confident	93 Å²	93	79.3 Å²	79.3	60%	0.604	43%	0.432	S	S	*	.			trans	-61.8	139	179.5	-21.2	32.7	0	0	0	111.8	L128 L129 T130	P126-L128 PolarHBondContact O-N 2.8Å; P126-L129 WeakPolarHBondContact O-CB 3.41Å; P126-L129 PolarHBondContact O-N 3.15Å; P126-T130 PolarHBondContact O-N 3.17Å
127	K	78.2	Confident	82	Confident	172 Å²	172	82.2 Å²	82.2	75%	0.748	45%	0.45	S	S	*	.	H	α-helix	trans	-51.2	-34.9	-179.3	-70	-175.4	177.9	179.5	0	113.3	L129 T130 Y131	K127-L129 VanDerWaalsContact C-N 3.35Å; K127-L129 PolarHBondContact O-N 3.07Å; K127-T130 WeakPolarHBondContact O-CB 3.48Å; K127-T130 PolarHBondContact O-N 2.88Å; K127-Y131 HydrophobicContact CB-CE2 4.31Å; K127-Y131 WeakPolarHBondContact O-CD2 3.38Å; K127-Y131 PolarHBondContact O-N 2.82Å; K127-Y131 VanDerWaalsContact O-N 3.09Å
128	L	78.9	Confident	82.2	Confident	106 Å²	106	78.5 Å²	78.5	56%	0.555	42%	0.424	S	S	*	.	H	α-helix	trans	-59.5	-43.2	176.4	-177.4	62.6	0	0	0	112.3	P126 T130 Y131 V132 L202	P126-L128 PolarHBondContact O-N 2.8Å; L128-T130 VanDerWaalsContact C-N 3.32Å; L128-T130 PolarHBondContact O-N 3.16Å; L128-Y131 PolarHBondContact O-N 2.81Å; L128-V132 HydrophobicContact CD1-CG2 4.38Å; L128-V132 WeakPolarHBondContact O-CG2 3.23Å; L128-V132 PolarHBondContact O-N 3Å; L128-L202 HydrophobicContact CD1-CD2 3.81Å
129	L	81.1	Confident	82.6	Confident	81 Å²	81	75.8 Å²	75.8	42%	0.424	41%	0.414	S	S	.	.	H	α-helix	trans	-65.2	-38.5	178.6	-175.9	64.9	0	0	0	111.2	L122 P126 K127 T133	L122-L129 HydrophobicContact CD1-CD2 4.34Å; L122-L129 HydrophobicContact CD1-CG 4.38Å; P126-L129 WeakPolarHBondContact O-CB 3.41Å; P126-L129 PolarHBondContact O-N 3.15Å; K127-L129 VanDerWaalsContact C-N 3.35Å; K127-L129 PolarHBondContact O-N 3.07Å; L129-T133 VanDerWaalsContact O-CB 3.27Å; L129-T133 WeakPolarHBondContact O-CB 3.27Å; L129-T133 PolarHBondContact O-N 2.98Å; L129-T133 PolarHBondContact O-OG1 3.15Å
130	T	84.2	Confident	83.1	Confident	32 Å²	32	79.3 Å²	79.3	20%	0.196	44%	0.436	C	S	.	.	H	α-helix	trans	-58.9	-48.8	173.5	-52.5	0	0	0	0	111.2	L122 P126 K127 L128 K134	L122-T130 WeakPolarHBondContact O-CB 3.3Å; L122-T130 VanDerWaalsContact O-CG2 3.25Å; L122-T130 WeakPolarHBondContact O-CG2 3.25Å; L122-T130 PolarHBondContact O-OG1 2.75Å; P126-T130 PolarHBondContact O-N 3.17Å; K127-T130 WeakPolarHBondContact O-CB 3.48Å; K127-T130 PolarHBondContact O-N 2.88Å; L128-T130 VanDerWaalsContact C-N 3.32Å; L128-T130 PolarHBondContact O-N 3.16Å; T130-K134 WeakPolarHBondContact O-CB 3.45Å; T130-K134 PolarHBondContact O-N 3.45Å
131	Y	82.2	Confident	83.9	Confident	102 Å²	102	75.6 Å²	75.6	40%	0.4	42%	0.42	S	S	.	.	H	α-helix	trans	-64.4	-45	179.7	-73.3	-62.3	0	0	0	112.9	K127 L128 K134 T135 L202	K127-Y131 HydrophobicContact CB-CE2 4.31Å; K127-Y131 WeakPolarHBondContact O-CD2 3.38Å; K127-Y131 PolarHBondContact O-N 2.82Å; K127-Y131 VanDerWaalsContact O-N 3.09Å; L128-Y131 PolarHBondContact O-N 2.81Å; Y131-K134 PolarHBondContact O-N 3Å; Y131-T135 WeakPolarHBondContact O-CB 3.38Å; Y131-T135 PolarHBondContact O-N 2.85Å; Y131-T135 PolarHBondContact O-OG1 3.33Å; Y131-L202 HydrophobicContact CD2-CD1 3.82Å; Y131-L202 HydrophobicContact CE2-CD1 4.09Å; Y131-L202 HydrophobicContact CG-CD1 4.47Å
132	V	85.4	Confident	84.9	Confident	77 Å²	77	74.5 Å²	74.5	47%	0.467	41%	0.409	S	S	.	.	H	α-helix	trans	-62.6	-49.6	178.3	172	0	0	0	0	110.2	L128 K134 T135 V136	L128-V132 HydrophobicContact CD1-CG2 4.38Å; L128-V132 WeakPolarHBondContact O-CG2 3.23Å; L128-V132 PolarHBondContact O-N 3Å; V132-K134 PolarHBondContact O-N 3.42Å; V132-T135 PolarHBondContact O-N 3.05Å; V132-V136 HydrophobicContact CG1-CG2 4.4Å; V132-V136 WeakPolarHBondContact O-CG2 3.35Å; V132-V136 PolarHBondContact O-N 3.22Å
133	T	86.9	Confident	85.8	Confident	34 Å²	34	72.7 Å²	72.7	21%	0.209	40%	0.399	C	S	.	.	H	α-helix	trans	-63.5	-42.8	-179.6	-50.9	0	0	0	0	111.3	L122 L129 T135 V136 V137	L122-T133 HydrophobicContact CD1-CG2 3.99Å; L122-T133 HydrophobicContact CG-CG2 4.12Å; L129-T133 VanDerWaalsContact O-CB 3.27Å; L129-T133 WeakPolarHBondContact O-CB 3.27Å; L129-T133 PolarHBondContact O-N 2.98Å; L129-T133 PolarHBondContact O-OG1 3.15Å; T133-T135 VanDerWaalsContact C-N 3.32Å; T133-T135 PolarHBondContact O-N 2.84Å; T133-V136 PolarHBondContact O-N 3.47Å; T133-V137 HydrophobicContact CG2-CG2 4.22Å; T133-V137 WeakPolarHBondContact O-CB 3.46Å; T133-V137 WeakPolarHBondContact O-CG2 3.39Å; T133-V137 PolarHBondContact O-N 3.07Å
134	K	89.9	Confident	87	Confident	69 Å²	69	68.4 Å²	68.4	30%	0.3	39%	0.387	S	S	.	.	H	α-helix	trans	-54.9	-50	173.3	172.7	169.8	178.6	163.2	0	110.6	E118 V119 T130 Y131 V132 Q138	E118-K134 IonicContact OE1-NZ 2.74Å; E118-K134 PolarHBondContact OE1-NZ 3.34Å; V119-K134 HydrophobicContact CB-CG 4.38Å; V119-K134 HydrophobicContact CG1-CB 4.38Å; V119-K134 HydrophobicContact CG1-CG 4.2Å; V119-K134 WeakPolarHBondContact O-CD 3.34Å; V119-K134 WeakPolarHBondContact O-CE 3.45Å; V119-K134 VanDerWaalsContact O-CG 3.29Å; V119-K134 WeakPolarHBondContact O-CG 3.38Å; V119-K134 PolarHBondContact O-NZ 3.07Å; T130-K134 WeakPolarHBondContact O-CB 3.45Å; T130-K134 PolarHBondContact O-N 3.45Å; Y131-K134 PolarHBondContact O-N 3Å; V132-K134 PolarHBondContact O-N 3.42Å; K134-Q138 WeakPolarHBondContact O-CB 3.2Å; K134-Q138 PolarHBondContact O-N 2.81Å
135	T	90.1	Very high	88.4	Confident	41 Å²	41	65.8 Å²	65.8	25%	0.252	36%	0.364	S	S	.	.	H	α-helix	trans	-63.4	-44.8	-177.9	-55	0	0	0	0	111.8	Y131 V132 T133 S139 L163 P164	Y131-T135 WeakPolarHBondContact O-CB 3.38Å; Y131-T135 PolarHBondContact O-N 2.85Å; Y131-T135 PolarHBondContact O-OG1 3.33Å; V132-T135 PolarHBondContact O-N 3.05Å; T133-T135 VanDerWaalsContact C-N 3.32Å; T133-T135 PolarHBondContact O-N 2.84Å; T135-S139 WeakPolarHBondContact O-CB 3.4Å; T135-S139 PolarHBondContact O-N 3.34Å; T135-S139 PolarHBondContact O-OG 3.22Å; T135-L163 HydrophobicContact CG2-CD1 4.25Å; T135-L163 HydrophobicContact CG2-CD2 4.46Å; T135-L163 HydrophobicContact CG2-CG 4.15Å; T135-P164 HydrophobicContact CG2-CB 3.94Å; T135-P164 HydrophobicContact CG2-CG 4.24Å
136	V	91.4	Very high	89.6	Confident	82 Å²	82	63.2 Å²	63.2	50%	0.497	34%	0.336	S	S	.	.	H	α-helix	trans	-64.7	-49.8	179.7	171.8	0	0	0	0	111.1	V132 T133 Q138 S139 V140	V132-V136 HydrophobicContact CG1-CG2 4.4Å; V132-V136 WeakPolarHBondContact O-CG2 3.35Å; V132-V136 PolarHBondContact O-N 3.22Å; T133-V136 PolarHBondContact O-N 3.47Å; V136-Q138 VanDerWaalsContact C-N 3.34Å; V136-Q138 PolarHBondContact O-N 2.84Å; V136-S139 WeakPolarHBondContact O-CB 3.24Å; V136-S139 PolarHBondContact O-N 3.38Å; V136-S139 VanDerWaalsContact O-N 3.13Å; V136-V140 WeakPolarHBondContact O-CG2 3.41Å; V136-V140 PolarHBondContact O-N 2.78Å
137	V	93.3	Very high	90.3	Very high	71 Å²	71	59.4 Å²	59.4	43%	0.43	31%	0.31	S	S	.	.	H	α-helix	trans	-64.6	-40.5	-179.7	174.7	0	0	0	0	110.8	V119 T133 S139 V140 Q141	V119-V137 HydrophobicContact CG1-CB 3.9Å; V119-V137 HydrophobicContact CG1-CG1 3.86Å; V119-V137 HydrophobicContact CG2-CG1 3.9Å; T133-V137 HydrophobicContact CG2-CG2 4.22Å; T133-V137 WeakPolarHBondContact O-CB 3.46Å; T133-V137 WeakPolarHBondContact O-CG2 3.39Å; T133-V137 PolarHBondContact O-N 3.07Å; V137-S139 VanDerWaalsContact C-N 3.29Å; V137-S139 PolarHBondContact O-N 3.49Å; V137-V140 PolarHBondContact O-N 2.91Å; V137-Q141 WeakPolarHBondContact O-CB 3.19Å; V137-Q141 PolarHBondContact O-N 3.38Å
138	Q	93.6	Very high	91.1	Very high	6 Å²	6	52.9 Å²	52.9	3%	0.028	29%	0.287	C	S	.	.	H	α-helix	trans	-62	-37.8	174.1	-168.7	66.1	56.7	0	0	111.7	L68 V119 K134 V136 L142 P164	L68-Q138 HydrophobicContact CD1-CG 4.06Å; L68-Q138 HydrophobicContact CD2-CG 4.41Å; V119-Q138 HydrophobicContact CB-CB 4.4Å; V119-Q138 HydrophobicContact CG2-CB 4.23Å; K134-Q138 WeakPolarHBondContact O-CB 3.2Å; K134-Q138 PolarHBondContact O-N 2.81Å; V136-Q138 VanDerWaalsContact C-N 3.34Å; V136-Q138 PolarHBondContact O-N 2.84Å; Q138-L142 VanDerWaalsContact O-CB 3.23Å; Q138-L142 WeakPolarHBondContact O-CB 3.36Å; Q138-L142 PolarHBondContact O-N 2.88Å; Q138-P164 HydrophobicContact CB-CG 4.19Å; Q138-P164 HydrophobicContact CG-CG 4.19Å
139	S	95.3	Very high	91.8	Very high	31 Å²	31	48.9 Å²	48.9	22%	0.217	27%	0.266	C	S	.	.	H	α-helix	trans	-64.1	-46.8	176.5	-56	0	0	0	0	111.5	T135 V136 V137 L142 L143 P164	T135-S139 WeakPolarHBondContact O-CB 3.4Å; T135-S139 PolarHBondContact O-N 3.34Å; T135-S139 PolarHBondContact O-OG 3.22Å; V136-S139 WeakPolarHBondContact O-CB 3.24Å; V136-S139 PolarHBondContact O-N 3.38Å; V136-S139 VanDerWaalsContact O-N 3.13Å; V137-S139 VanDerWaalsContact C-N 3.29Å; V137-S139 PolarHBondContact O-N 3.49Å; S139-L142 PolarHBondContact O-N 3.07Å; S139-L143 VanDerWaalsContact O-CB 3.26Å; S139-L143 WeakPolarHBondContact O-CB 3.24Å; S139-L143 PolarHBondContact O-N 3.48Å; S139-P164 WeakPolarHBondContact OG-CB 3.44Å; S139-P164 WeakPolarHBondContact OG-CG 3.36Å
140	V	95.2	Very high	92.3	Very high	94 Å²	94	50.4 Å²	50.4	57%	0.57	27%	0.271	S	S	*	.	H	α-helix	trans	-64.8	-44.7	178.9	173.9	0	0	0	0	110.9	V136 V137 L143 H144	V136-V140 WeakPolarHBondContact O-CG2 3.41Å; V136-V140 PolarHBondContact O-N 2.78Å; V137-V140 PolarHBondContact O-N 2.91Å; V140-L143 PolarHBondContact O-N 3.48Å; V140-H144 VanDerWaalsContact O-CB 3.31Å; V140-H144 WeakPolarHBondContact O-CB 3.31Å; V140-H144 PolarHBondContact O-N 2.8Å
141	Q	95.1	Very high	92.8	Very high	44 Å²	44	49.5 Å²	49.5	21%	0.206	27%	0.265	C	S	.	.	H	α-helix	trans	-59.5	-48.8	176.4	-175.6	-168.4	37.7	0	0	110.9	S117 V137 H144 V145	S117-Q141 VanDerWaalsContact N-NE2 3.16Å; S117-Q141 PolarHBondContact O-NE2 3.18Å; S117-Q141 VanDerWaalsContact O-NE2 3.17Å; S117-Q141 PolarHBondContact O-OE1 3.06Å; S117-Q141 VanDerWaalsContact O-OE1 3.08Å; V137-Q141 WeakPolarHBondContact O-CB 3.19Å; V137-Q141 PolarHBondContact O-N 3.38Å; Q141-H144 PolarHBondContact O-N 3.43Å; Q141-V145 VanDerWaalsContact O-CG2 3.28Å; Q141-V145 WeakPolarHBondContact O-CG2 3.45Å; Q141-V145 PolarHBondContact O-N 2.98Å
142	L	96	Very high	93.4	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-64.8	-43.2	-178.6	-176.6	61.5	0	0	0	111.5	L66 L68 Q138 S139 H144 V145 L146 V168	L66-L142 HydrophobicContact CD1-CD1 3.76Å; L66-L142 HydrophobicContact CD2-CD1 4.11Å; L66-L142 HydrophobicContact CD2-CD2 4.4Å; L68-L142 HydrophobicContact CD1-CD2 4.5Å; Q138-L142 VanDerWaalsContact O-CB 3.23Å; Q138-L142 WeakPolarHBondContact O-CB 3.36Å; Q138-L142 PolarHBondContact O-N 2.88Å; S139-L142 PolarHBondContact O-N 3.07Å; L142-H144 VanDerWaalsContact C-N 3.34Å; L142-H144 PolarHBondContact O-N 3.34Å; L142-V145 PolarHBondContact O-N 2.88Å; L142-L146 HydrophobicContact CD1-CD1 3.96Å; L142-L146 HydrophobicContact CD1-CG 4.01Å; L142-L146 HydrophobicContact CG-CD1 3.94Å; L142-L146 HydrophobicContact CG-CG 4.36Å; L142-L146 WeakPolarHBondContact O-CB 3.18Å; L142-L146 VanDerWaalsContact O-CG 3.31Å; L142-L146 WeakPolarHBondContact O-CG 3.43Å; L142-L146 PolarHBondContact O-N 3.13Å; L142-V168 HydrophobicContact CB-CG1 4.06Å; L142-V168 HydrophobicContact CD2-CB 3.94Å; L142-V168 HydrophobicContact CD2-CG1 3.96Å; L142-V168 HydrophobicContact CG-CB 4.34Å; L142-V168 HydrophobicContact CG-CG1 3.79Å
143	L	96.6	Very high	93.9	Very high	48 Å²	48	41.2 Å²	41.2	25%	0.251	23%	0.225	S	C	.	.	H	α-helix	trans	-59	-46.6	175	-176.9	65	0	0	0	111	S139 V140 L147 V168 L171 V172	S139-L143 VanDerWaalsContact O-CB 3.26Å; S139-L143 WeakPolarHBondContact O-CB 3.24Å; S139-L143 PolarHBondContact O-N 3.48Å; V140-L143 PolarHBondContact O-N 3.48Å; L143-L147 HydrophobicContact CD1-CD1 3.74Å; L143-L147 HydrophobicContact CD1-CG 4.1Å; L143-L147 HydrophobicContact CG-CD1 3.84Å; L143-L147 HydrophobicContact CG-CG 4.45Å; L143-L147 VanDerWaalsContact O-CB 3.26Å; L143-L147 WeakPolarHBondContact O-CB 3.33Å; L143-L147 VanDerWaalsContact O-CG 3.25Å; L143-L147 WeakPolarHBondContact O-CG 3.23Å; L143-L147 PolarHBondContact O-N 2.95Å; L143-V168 HydrophobicContact CB-CG1 3.96Å; L143-V168 HydrophobicContact CD1-CG1 4.33Å; L143-L171 HydrophobicContact CD1-CD2 4.33Å; L143-V172 HydrophobicContact CD1-CG2 3.75Å
144	H	95.9	Very high	94.4	Very high	116 Å²	116	40.2 Å²	40.2	54%	0.537	22%	0.218	S	C	.	.	H	α-helix	trans	-61.5	-46.2	178.4	177.2	67.4	0	0	0	112	V140 Q141 L142 S148	V140-H144 VanDerWaalsContact O-CB 3.31Å; V140-H144 WeakPolarHBondContact O-CB 3.31Å; V140-H144 PolarHBondContact O-N 2.8Å; Q141-H144 PolarHBondContact O-N 3.43Å; L142-H144 VanDerWaalsContact C-N 3.34Å; L142-H144 PolarHBondContact O-N 3.34Å; H144-S148 VanDerWaalsContact O-CB 3.26Å; H144-S148 WeakPolarHBondContact O-CB 3.28Å; H144-S148 PolarHBondContact O-N 3.04Å; H144-S148 PolarHBondContact O-OG 3.11Å
145	V	96.4	Very high	94.8	Very high	24 Å²	24	37.1 Å²	37.1	15%	0.145	20%	0.204	C	C	.	.	H	α-helix	trans	-61.1	-54.7	178.8	169.3	0	0	0	0	110.1	V94 V114 I116 Q141 L142 L147 S148 L149	V94-V145 HydrophobicContact CG1-CG1 4.16Å; V114-V145 HydrophobicContact CG1-CG1 4.25Å; I116-V145 HydrophobicContact CG2-CB 4.43Å; I116-V145 HydrophobicContact CG2-CG1 4.09Å; I116-V145 HydrophobicContact CG2-CG2 3.95Å; Q141-V145 VanDerWaalsContact O-CG2 3.28Å; Q141-V145 WeakPolarHBondContact O-CG2 3.45Å; Q141-V145 PolarHBondContact O-N 2.98Å; L142-V145 PolarHBondContact O-N 2.88Å; V145-L147 VanDerWaalsContact C-N 3.32Å; V145-L147 PolarHBondContact O-N 3.42Å; V145-S148 WeakPolarHBondContact O-CB 3.41Å; V145-S148 PolarHBondContact O-N 2.84Å; V145-L149 WeakPolarHBondContact O-CG 3.28Å; V145-L149 PolarHBondContact O-N 2.6Å; V145-L149 VanDerWaalsContact O-N 3.15Å
146	L	96.6	Very high	95.2	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.021	19%	0.193	C	C	.	.	H	α-helix	trans	-63.2	-35.5	-177.3	-66.6	178.1	0	0	0	112.8	L66 L142 S148 L149 V168 V172 R176	L66-L146 HydrophobicContact CD2-CD1 4.35Å; L142-L146 HydrophobicContact CD1-CD1 3.96Å; L142-L146 HydrophobicContact CD1-CG 4.01Å; L142-L146 HydrophobicContact CG-CD1 3.94Å; L142-L146 HydrophobicContact CG-CG 4.36Å; L142-L146 WeakPolarHBondContact O-CB 3.18Å; L142-L146 VanDerWaalsContact O-CG 3.31Å; L142-L146 WeakPolarHBondContact O-CG 3.43Å; L142-L146 PolarHBondContact O-N 3.13Å; L146-S148 VanDerWaalsContact C-N 3.3Å; L146-L149 HydrophobicContact CD2-CD1 4.2Å; L146-V168 HydrophobicContact CD1-CG1 4.36Å; L146-V172 HydrophobicContact CB-CB 4.46Å; L146-V172 HydrophobicContact CB-CG1 4.12Å; L146-V172 HydrophobicContact CB-CG2 3.9Å; L146-V172 HydrophobicContact CD1-CB 4.49Å; L146-V172 HydrophobicContact CD1-CG2 4.13Å; L146-R176 PolarHBondContact O-NH1 2.94Å; L146-R176 VanDerWaalsContact O-NH1 3.16Å
147	L	94.8	Very high	95.6	Very high	12 Å²	12	31.5 Å²	31.5	6%	0.063	17%	0.17	C	C	.	.	H	α-helix	trans	-77.1	-12.8	174.1	-69.1	178.9	0	0	0	114.1	S6 L10 L143 V145 V172 L175 R176	S6-L147 PolarHBondContact OG-O 3.44Å; S6-L147 VanDerWaalsContact OG-O 3.07Å; L10-L147 HydrophobicContact CD1-CD1 3.78Å; L143-L147 HydrophobicContact CD1-CD1 3.74Å; L143-L147 HydrophobicContact CD1-CG 4.1Å; L143-L147 HydrophobicContact CG-CD1 3.84Å; L143-L147 HydrophobicContact CG-CG 4.45Å; L143-L147 VanDerWaalsContact O-CB 3.26Å; L143-L147 WeakPolarHBondContact O-CB 3.33Å; L143-L147 VanDerWaalsContact O-CG 3.25Å; L143-L147 WeakPolarHBondContact O-CG 3.23Å; L143-L147 PolarHBondContact O-N 2.95Å; V145-L147 VanDerWaalsContact C-N 3.32Å; V145-L147 PolarHBondContact O-N 3.42Å; L147-V172 HydrophobicContact CD2-CG1 4.39Å; L147-V172 HydrophobicContact CD2-CG2 4.28Å; L147-V172 HydrophobicContact CG-CG2 4.34Å; L147-L175 HydrophobicContact CD2-CD1 4.3Å; L147-R176 PolarHBondContact O-NH2 3.46Å
148	S	93.9	Very high	95.8	Very high	36 Å²	36	29.1 Å²	29.1	25%	0.252	15%	0.154	S	C	.	.	H	α-helix	trans	-92.6	-16.2	174.7	-59.5	0	0	0	0	112.8	H144 V145 L146	H144-S148 VanDerWaalsContact O-CB 3.26Å; H144-S148 WeakPolarHBondContact O-CB 3.28Å; H144-S148 PolarHBondContact O-N 3.04Å; H144-S148 PolarHBondContact O-OG 3.11Å; V145-S148 WeakPolarHBondContact O-CB 3.41Å; V145-S148 PolarHBondContact O-N 2.84Å; L146-S148 VanDerWaalsContact C-N 3.3Å
149	L	93.7	Very high	95.9	Very high	21 Å²	21	28.9 Å²	28.9	11%	0.11	15%	0.153	C	C	.	.	S	Bend	trans	-68.4	158.6	170.5	-59.4	-176.7	0	0	0	110.9	T92 V94 V114 V145 L146 R176	T92-L149 HydrophobicContact CG2-CD1 3.87Å; T92-L149 HydrophobicContact CG2-CD2 3.97Å; V94-L149 HydrophobicContact CG2-CD1 4.16Å; V114-L149 HydrophobicContact CG2-CD2 4.36Å; V145-L149 WeakPolarHBondContact O-CG 3.28Å; V145-L149 PolarHBondContact O-N 2.6Å; V145-L149 VanDerWaalsContact O-N 3.15Å; L146-L149 HydrophobicContact CD2-CD1 4.2Å; L149-R176 VanDerWaalsContact O-CZ 3.27Å; L149-R176 PolarHBondContact O-NH1 3.35Å; L149-R176 PolarHBondContact O-NH2 3.25Å
150	E	92.6	Very high	95.9	Very high	113 Å²	113	28.6 Å²	28.6	53%	0.528	15%	0.15	S	C	.	.	P	Polyproline II helix	trans	-58.6	160.3	163.1	-67	177.8	-172.5	0	0	110.7	R62 Q152 R176	R62-E150 WeakPolarHBondContact CD-OE2 3.33Å; R62-E150 IonicContact CZ-OE2 3.69Å; R62-E150 IonicContact NE-OE2 3.28Å; R62-E150 IonicContact NH1-OE2 3.28Å; R62-E150 PolarHBondContact NH1-OE2 3.15Å; E150-Q152 WeakPolarHBondContact O-CG 3.49Å; E150-Q152 PolarHBondContact O-N 2.82Å; E150-Q152 VanDerWaalsContact O-N 3.17Å; E150-Q152 PolarHBondContact O-NE2 2.81Å; E150-R176 PolarHBondContact O-NH1 3.36Å
151	L	94.1	Very high	95.7	Very high	13 Å²	13	26.6 Å²	26.6	7%	0.068	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-63	120.7	178.5	-172	155	0	0	0	109.6	R55 R62 R176	R55-L151 HydrophobicContact CG-CD1 4.14Å; R55-L151 HydrophobicContact CG-CD2 4.09Å; R62-L151 PolarHBondContact NE-O 2.8Å; R62-L151 PolarHBondContact NH2-O 2.96Å; L151-R176 HydrophobicContact CG-CB 4.46Å
152	Q	95.5	Very high	95.4	Very high	5 Å²	5	24.5 Å²	24.5	2%	0.023	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-94.6	137.7	178.8	-50.9	-63.3	-47.7	0	0	108.5	C64 E150 I155 S178	C64-Q152 HydrophobicContact CB-CB 4.35Å; C64-Q152 HydrophobicContact CB-CG 3.86Å; E150-Q152 WeakPolarHBondContact O-CG 3.49Å; E150-Q152 PolarHBondContact O-N 2.82Å; E150-Q152 VanDerWaalsContact O-N 3.17Å; E150-Q152 PolarHBondContact O-NE2 2.81Å; Q152-I155 HydrophobicContact CB-CG1 4.49Å; Q152-S178 VanDerWaalsContact O-CB 3.23Å; Q152-S178 WeakPolarHBondContact O-CB 3.34Å; Q152-S178 PolarHBondContact O-OG 3.46Å
153	A	95.6	Very high	95.2	Very high	1 Å²	1	28 Å²	28	1%	0.008	15%	0.148	C	C	.	.	S	Bend	trans	-70.4	-39.8	172.5	0	0	0	0	0	111.5	S59 R62 S178 T179	S59-A153 VanDerWaalsContact O-CB 3.29Å; S59-A153 WeakPolarHBondContact O-CB 3.39Å; S59-A153 PolarHBondContact O-N 3.21Å; R62-A153 PolarHBondContact O-N 2.94Å; A153-S178 WeakPolarHBondContact O-CA 3.29Å; A153-T179 PolarHBondContact O-N 3.34Å
154	H	97.4	Very high	95	Very high	13 Å²	13	26.2 Å²	26.2	6%	0.06	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	143.8	-179.7	-49.9	-97.5	0	0	0	110.6	V63 C64 T179 I181 L488	V63-H154 WeakPolarHBondContact CA-O 3.37Å; V63-H154 HydrophobicContact CG1-CB 4.18Å; V63-H154 HydrophobicContact CG2-CB 4.16Å; C64-H154 PolarHBondContact N-O 2.73Å; H154-T179 CarbonylContact C-O 3.54Å; H154-T179 WeakPolarHBondContact CA-O 3.28Å; H154-T179 WeakPolarHBondContact ND1-CB 3.26Å; H154-I181 HydrophobicContact CB-CD1 4.48Å; H154-L488 HydrophobicContact CB-CD2 4.17Å; H154-L488 PolarHBondContact NE2-O 2.63Å
155	I	98.4	Very high	95	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.015	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	112.8	164.8	-56.4	-173.6	0	0	0	106.9	C64 L66 Q152 A169 V172 T179 F180 I181	C64-I155 HydrophobicContact CB-CG1 4.22Å; C64-I155 HydrophobicContact CB-CG2 4.45Å; C64-I155 CarbonylContact O-C 3.32Å; C64-I155 WeakPolarHBondContact O-CA 3.44Å; L66-I155 HydrophobicContact CB-CG2 4.41Å; Q152-I155 HydrophobicContact CB-CG1 4.49Å; I155-A169 HydrophobicContact CG2-CB 4.36Å; I155-V172 HydrophobicContact CD1-CG1 4.07Å; I155-T179 PolarHBondContact N-O 2.9Å; I155-F180 HydrophobicContact CB-CD2 4.36Å; I155-F180 HydrophobicContact CG2-CD2 4.46Å; I155-F180 WeakPolarHBondContact O-CD2 3.31Å; I155-I181 PolarHBondContact O-N 2.67Å
156	L	98.7	Very high	95.1	Very high	5 Å²	5	19.5 Å²	19.5	3%	0.026	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	112.5	174.7	174.8	64.9	0	0	0	108.8	C64 V65 L66 M77 H80 I181 D183 L221	C64-L156 PolarHBondContact O-N 3.08Å; V65-L156 CarbonylContact C-O 3.32Å; V65-L156 WeakPolarHBondContact CA-O 3.21Å; L66-L156 PolarHBondContact N-O 2.79Å; M77-L156 HydrophobicContact CE-CD2 4.4Å; M77-L156 HydrophobicContact CE-CG 4.15Å; H80-L156 HydrophobicContact CB-CD2 3.8Å; H80-L156 WeakPolarHBondContact ND1-CD2 3.38Å; L156-I181 CarbonylContact C-O 3.52Å; L156-I181 WeakPolarHBondContact CA-O 3.39Å; L156-I181 HydrophobicContact CD1-CB 3.82Å; L156-I181 HydrophobicContact CD1-CG2 3.51Å; L156-D183 HydrophobicContact CD1-CB 4.2Å; L156-L221 HydrophobicContact CD1-CD1 4.21Å
157	M	98.4	Very high	95.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	134.8	-175.1	177.7	179.2	160.5	0	0	112	L66 P161 I166 A169 F180 I181 D183	L66-M157 HydrophobicContact CB-CB 4.34Å; L66-M157 HydrophobicContact CB-CG 4.49Å; L66-M157 HydrophobicContact CD2-CB 4.42Å; L66-M157 HydrophobicContact CD2-CG 4.14Å; L66-M157 HydrophobicContact CD2-SD 4.11Å; L66-M157 HydrophobicContact CG-CG 4.29Å; L66-M157 WeakPolarHBondContact O-CA 3.45Å; M157-P161 WeakPolarHBondContact CE-O 3.37Å; M157-I166 HydrophobicContact CE-CG1 3.88Å; M157-I166 HydrophobicContact SD-CG1 4.22Å; M157-A169 HydrophobicContact SD-CB 4.23Å; M157-F180 HydrophobicContact CB-CE2 3.77Å; M157-F180 HydrophobicContact CB-CZ 4.31Å; M157-F180 HydrophobicContact SD-CE2 4.38Å; M157-F180 HydrophobicContact SD-CZ 4.17Å; M157-I181 PolarHBondContact N-O 3.29Å; M157-D183 PolarHBondContact O-N 3.17Å
158	Q	97.9	Very high	95.3	Very high	22 Å²	22	20.3 Å²	20.3	10%	0.103	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	134.4	168.5	-172.3	-177	-67.7	0	0	111.4	L66 V67 M77 P160	L66-Q158 PolarHBondContact O-N 2.8Å; V67-Q158 HydrophobicContact CG2-CB 4.15Å; M77-Q158 HydrophobicContact CE-CB 3.95Å; M77-Q158 HydrophobicContact CG-CB 3.93Å; M77-Q158 HydrophobicContact CG-CG 4.11Å; M77-Q158 HydrophobicContact SD-CB 3.79Å; M77-Q158 HydrophobicContact SD-CG 4.14Å; Q158-P160 PolarHBondContact NE2-O 3.45Å
159	N	96.6	Very high	95.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	128	163.3	-173	47.9	0	0	0	110.2	G162 I182 D183 W184 H185 N186 E210	N159-G162 WeakPolarHBondContact OD1-CA 3.42Å; N159-G162 PolarHBondContact OD1-N 2.74Å; N159-I182 HydrophobicContact CB-CG2 3.9Å; N159-D183 PolarHBondContact N-O 3.48Å; N159-W184 HydrophobicContact CB-CE3 4.37Å; N159-W184 WeakPolarHBondContact ND2-CZ3 3.28Å; N159-H185 WeakPolarHBondContact O-CB 3.27Å; N159-H185 PolarHBondContact O-N 3.04Å; N159-N186 PolarHBondContact ND2-O 2.79Å; N159-E210 PolarHBondContact ND2-OE1 2.94Å; N159-E210 PolarHBondContact OD1-OE1 2.86Å
160	P	94.2	Very high	95.7	Very high	25 Å²	25	21.5 Å²	21.5	16%	0.162	11%	0.112	C	C	.	.	S	Bend	cis	-86	165.8	2	33.6	-34.2	0	0	0	115.4	Q158 N186 I191	Q158-P160 PolarHBondContact NE2-O 3.45Å; P160-N186 HydrophobicContact CG-CB 4.19Å; P160-I191 HydrophobicContact CG-CG1 4.22Å
161	P	91.9	Very high	95.9	Very high	52 Å²	52	19.4 Å²	19.4	34%	0.338	10%	0.104	S	C	.	.	S	Bend	cis	-85.3	129.8	-2.6	29.6	-26	0	0	0	113.2	L68 M157	L68-P161 HydrophobicContact CB-CG 3.95Å; L68-P161 HydrophobicContact CD2-CG 4.22Å; L68-P161 HydrophobicContact CG-CG 4.28Å; L68-P161 WeakPolarHBondContact O-CD 3.36Å; L68-P161 WeakPolarHBondContact O-CG 3.23Å; M157-P161 WeakPolarHBondContact CE-O 3.37Å
162	G	88	Confident	96.1	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.01	10%	0.101	C	C	.	.			trans	-86.5	-28.1	-179.6	0	0	0	0	0	114.5	N159 P164 G165 I166 Y209	N159-G162 WeakPolarHBondContact OD1-CA 3.42Å; N159-G162 PolarHBondContact OD1-N 2.74Å; G162-P164 CarbonylContact O-C 3.53Å; G162-G165 CarbonylContact O-C 3.55Å; G162-G165 WeakPolarHBondContact O-CA 3.45Å; G162-G165 PolarHBondContact O-N 2.81Å; G162-I166 WeakPolarHBondContact O-CG1 3.42Å; G162-I166 PolarHBondContact O-N 2.98Å; G162-Y209 PolarHBondContact O-OH 3.31Å
163	L	91.9	Very high	96.1	Very high	75 Å²	75	18.9 Å²	18.9	39%	0.393	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	127.6	179.1	-179.6	75.2	0	0	0	110.4	T135 Y209	T135-L163 HydrophobicContact CG2-CD1 4.25Å; T135-L163 HydrophobicContact CG2-CD2 4.46Å; T135-L163 HydrophobicContact CG2-CG 4.15Å; L163-Y209 HydrophobicContact CB-CD1 4.01Å; L163-Y209 HydrophobicContact CB-CE1 3.85Å; L163-Y209 HydrophobicContact CD1-CD1 3.71Å; L163-Y209 HydrophobicContact CD1-CD2 3.49Å; L163-Y209 VanDerWaalsContact CD1-CD2 3.49Å; L163-Y209 HydrophobicContact CD1-CE1 3.7Å; L163-Y209 HydrophobicContact CD1-CE2 3.46Å; L163-Y209 VanDerWaalsContact CD1-CE2 3.46Å; L163-Y209 HydrophobicContact CD1-CG 3.61Å; L163-Y209 HydrophobicContact CG-CD1 4.45Å; L163-Y209 HydrophobicContact CG-CE1 4.4Å
164	P	93.3	Very high	96.1	Very high	9 Å²	9	21.4 Å²	21.4	6%	0.058	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	cis	-89.2	6.9	-6.4	36.9	-36.3	0	0	0	114.3	T135 Q138 S139 G162 I166 A167 V168 Y209	T135-P164 HydrophobicContact CG2-CB 3.94Å; T135-P164 HydrophobicContact CG2-CG 4.24Å; Q138-P164 HydrophobicContact CB-CG 4.19Å; Q138-P164 HydrophobicContact CG-CG 4.19Å; S139-P164 WeakPolarHBondContact OG-CB 3.44Å; S139-P164 WeakPolarHBondContact OG-CG 3.36Å; G162-P164 CarbonylContact O-C 3.53Å; P164-I166 PolarHBondContact O-N 3.46Å; P164-A167 PolarHBondContact O-N 3.4Å; P164-V168 HydrophobicContact CB-CG2 4.5Å; P164-V168 WeakPolarHBondContact O-CG2 3.31Å; P164-V168 PolarHBondContact O-N 2.8Å; P164-Y209 WeakPolarHBondContact CA-OH 3.26Å; P164-Y209 PolarHBondContact O-OH 3.07Å
165	G	95.8	Very high	95.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-54.3	-43.2	-168.6	0	0	0	0	0	115.4	G162 A167 V168 A169	G162-G165 CarbonylContact O-C 3.55Å; G162-G165 WeakPolarHBondContact O-CA 3.45Å; G162-G165 PolarHBondContact O-N 2.81Å; G165-A167 PolarHBondContact O-N 3.27Å; G165-V168 PolarHBondContact O-N 3.4Å; G165-A169 VanDerWaalsContact O-CB 3.23Å; G165-A169 WeakPolarHBondContact O-CB 3.39Å; G165-A169 PolarHBondContact O-N 3.48Å
166	I	97.6	Very high	95.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.4	-50.9	-175.7	-64.1	172.7	0	0	0	110.2	M157 G162 P164 V168 W170 F180 I182 W184 Y209 F213	M157-I166 HydrophobicContact CE-CG1 3.88Å; M157-I166 HydrophobicContact SD-CG1 4.22Å; G162-I166 WeakPolarHBondContact O-CG1 3.42Å; G162-I166 PolarHBondContact O-N 2.98Å; P164-I166 PolarHBondContact O-N 3.46Å; I166-V168 PolarHBondContact O-N 2.91Å; I166-W170 VanDerWaalsContact O-CB 3.22Å; I166-W170 WeakPolarHBondContact O-CB 3.5Å; I166-W170 PolarHBondContact O-N 3.45Å; I166-F180 HydrophobicContact CG2-CE1 3.99Å; I166-F180 HydrophobicContact CG2-CZ 4.31Å; I166-I182 HydrophobicContact CD1-CD1 4.37Å; I166-I182 HydrophobicContact CG1-CD1 4.28Å; I166-I182 HydrophobicContact CG2-CD1 3.83Å; I166-W184 HydrophobicContact CD1-CH2 4.29Å; I166-Y209 HydrophobicContact CB-CE1 4.38Å; I166-F213 HydrophobicContact CB-CB 4.39Å; I166-F213 HydrophobicContact CG2-CB 3.66Å; I166-F213 WeakPolarHBondContact CG2-O 3.43Å
167	A	97.6	Very high	95.4	Very high	19 Å²	19	24 Å²	24	16%	0.157	14%	0.135	C	C	.	.	H	α-helix	trans	-63.3	-41.1	-179.6	0	0	0	0	0	112.4	P164 G165 L171 Y209 F213	P164-A167 PolarHBondContact O-N 3.4Å; G165-A167 PolarHBondContact O-N 3.27Å; A167-L171 WeakPolarHBondContact O-CB 3.26Å; A167-L171 PolarHBondContact O-N 2.83Å; A167-Y209 HydrophobicContact CB-CE2 3.89Å; A167-Y209 VanDerWaalsContact CB-OH 3.26Å; A167-Y209 WeakPolarHBondContact CB-OH 3.26Å; A167-Y209 PolarHBondContact N-OH 2.76Å; A167-F213 HydrophobicContact CB-CD1 3.56Å; A167-F213 HydrophobicContact CB-CD2 4.22Å; A167-F213 HydrophobicContact CB-CE1 3.54Å; A167-F213 HydrophobicContact CB-CE2 4.19Å; A167-F213 HydrophobicContact CB-CG 3.93Å; A167-F213 HydrophobicContact CB-CZ 3.87Å
168	V	98	Very high	95.2	Very high	14 Å²	14	24.6 Å²	24.6	9%	0.085	14%	0.139	C	C	.	.	H	α-helix	trans	-70.6	-45.6	-179.5	176.4	0	0	0	0	111.1	L142 L143 L146 P164 G165 I166 L171 V172	L142-V168 HydrophobicContact CB-CG1 4.06Å; L142-V168 HydrophobicContact CD2-CB 3.94Å; L142-V168 HydrophobicContact CD2-CG1 3.96Å; L142-V168 HydrophobicContact CG-CB 4.34Å; L142-V168 HydrophobicContact CG-CG1 3.79Å; L143-V168 HydrophobicContact CB-CG1 3.96Å; L143-V168 HydrophobicContact CD1-CG1 4.33Å; L146-V168 HydrophobicContact CD1-CG1 4.36Å; P164-V168 HydrophobicContact CB-CG2 4.5Å; P164-V168 WeakPolarHBondContact O-CG2 3.31Å; P164-V168 PolarHBondContact O-N 2.8Å; G165-V168 PolarHBondContact O-N 3.4Å; I166-V168 PolarHBondContact O-N 2.91Å; V168-L171 PolarHBondContact O-N 3.3Å; V168-V172 WeakPolarHBondContact O-CG2 3.26Å; V168-V172 PolarHBondContact O-N 3.29Å
169	A	98.1	Very high	95.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63	-44.4	177.7	0	0	0	0	0	111.1	L66 I155 M157 G165 L171 V172 C173 F180	L66-A169 HydrophobicContact CD2-CB 4.27Å; I155-A169 HydrophobicContact CG2-CB 4.36Å; M157-A169 HydrophobicContact SD-CB 4.23Å; G165-A169 VanDerWaalsContact O-CB 3.23Å; G165-A169 WeakPolarHBondContact O-CB 3.39Å; G165-A169 PolarHBondContact O-N 3.48Å; A169-L171 PolarHBondContact O-N 2.94Å; A169-V172 PolarHBondContact O-N 3.18Å; A169-C173 WeakPolarHBondContact O-CB 3.32Å; A169-C173 PolarHBondContact O-N 2.92Å; A169-C173 PolarHBondContact O-SG 2.89Å; A169-F180 HydrophobicContact CB-CD2 4.06Å; A169-F180 HydrophobicContact CB-CE1 4.48Å; A169-F180 HydrophobicContact CB-CE2 3.46Å; A169-F180 VanDerWaalsContact CB-CE2 3.46Å; A169-F180 HydrophobicContact CB-CZ 3.72Å
170	W	98.3	Very high	95.2	Very high	82 Å²	82	24.4 Å²	24.4	31%	0.311	14%	0.139	S	C	.	.	H	α-helix	trans	-56.7	-49.8	172.7	170.5	76.7	0	0	0	112	I166 V172 C173 V174 F180 L216	I166-W170 VanDerWaalsContact O-CB 3.22Å; I166-W170 WeakPolarHBondContact O-CB 3.5Å; I166-W170 PolarHBondContact O-N 3.45Å; W170-V172 VanDerWaalsContact C-N 3.32Å; W170-V172 PolarHBondContact O-N 2.85Å; W170-C173 WeakPolarHBondContact O-CB 3.47Å; W170-C173 PolarHBondContact O-N 3.26Å; W170-C173 VanDerWaalsContact O-N 3.13Å; W170-V174 HydrophobicContact CD2-CG2 4.22Å; W170-V174 HydrophobicContact CZ2-CG2 3.89Å; W170-V174 WeakPolarHBondContact O-CG2 3.45Å; W170-V174 PolarHBondContact O-N 3.19Å; W170-F180 HydrophobicContact CB-CD1 3.92Å; W170-F180 HydrophobicContact CB-CE1 4.04Å; W170-L216 VanDerWaalsContact CD1-CB 3.5Å; W170-L216 VanDerWaalsContact CD1-O 3.27Å; W170-L216 HydrophobicContact CD2-CB 4.38Å; W170-L216 HydrophobicContact CD2-CD1 3.93Å; W170-L216 HydrophobicContact CE3-CD1 4.33Å; W170-L216 HydrophobicContact CG-CB 4Å; W170-L216 HydrophobicContact CG-CD1 4.3Å; W170-L216 HydrophobicContact CH2-CD1 4.5Å; W170-L216 HydrophobicContact CZ2-CD1 4.12Å
171	L	97.4	Very high	95.4	Very high	68 Å²	68	23.2 Å²	23.2	36%	0.356	13%	0.131	S	C	.	.	H	α-helix	trans	-57.6	-46.1	178.6	175.4	62	0	0	0	111	L143 A167 V168 A169 C173 V174 L175	L143-L171 HydrophobicContact CD1-CD2 4.33Å; A167-L171 WeakPolarHBondContact O-CB 3.26Å; A167-L171 PolarHBondContact O-N 2.83Å; V168-L171 PolarHBondContact O-N 3.3Å; A169-L171 PolarHBondContact O-N 2.94Å; L171-C173 VanDerWaalsContact C-N 3.33Å; L171-C173 PolarHBondContact O-N 2.86Å; L171-V174 PolarHBondContact O-N 3.02Å; L171-L175 HydrophobicContact CD1-CD1 4.36Å; L171-L175 HydrophobicContact CD1-CG 4.2Å; L171-L175 HydrophobicContact CG-CD1 4.18Å; L171-L175 HydrophobicContact CG-CG 4.41Å; L171-L175 VanDerWaalsContact O-CG 3.28Å; L171-L175 WeakPolarHBondContact O-CG 3.29Å; L171-L175 PolarHBondContact O-N 2.82Å
172	V	97.1	Very high	95.8	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.006	12%	0.115	C	C	.	.	H	α-helix	trans	-61.9	-42.1	177.6	172.9	0	0	0	0	111.3	L143 L146 L147 I155 V168 A169 W170 V174 L175 R176	L143-V172 HydrophobicContact CD1-CG2 3.75Å; L146-V172 HydrophobicContact CB-CB 4.46Å; L146-V172 HydrophobicContact CB-CG1 4.12Å; L146-V172 HydrophobicContact CB-CG2 3.9Å; L146-V172 HydrophobicContact CD1-CB 4.49Å; L146-V172 HydrophobicContact CD1-CG2 4.13Å; L147-V172 HydrophobicContact CD2-CG1 4.39Å; L147-V172 HydrophobicContact CD2-CG2 4.28Å; L147-V172 HydrophobicContact CG-CG2 4.34Å; I155-V172 HydrophobicContact CD1-CG1 4.07Å; V168-V172 WeakPolarHBondContact O-CG2 3.26Å; V168-V172 PolarHBondContact O-N 3.29Å; A169-V172 PolarHBondContact O-N 3.18Å; W170-V172 VanDerWaalsContact C-N 3.32Å; W170-V172 PolarHBondContact O-N 2.85Å; V172-V174 VanDerWaalsContact C-N 3.33Å; V172-V174 PolarHBondContact O-N 3.32Å; V172-L175 PolarHBondContact O-N 2.87Å; V172-R176 HydrophobicContact CG1-CG 4.29Å; V172-R176 WeakPolarHBondContact O-CB 3.29Å; V172-R176 PolarHBondContact O-N 3.42Å
173	C	96.8	Very high	96.3	Very high	6 Å²	6	20.7 Å²	20.7	4%	0.041	12%	0.115	C	C	.	.	H	α-helix	trans	-60.5	-42.1	175.6	-77.3	0	0	0	0	112	A169 W170 L171 R176 G177 S178 F180	A169-C173 WeakPolarHBondContact O-CB 3.32Å; A169-C173 PolarHBondContact O-N 2.92Å; A169-C173 PolarHBondContact O-SG 2.89Å; W170-C173 WeakPolarHBondContact O-CB 3.47Å; W170-C173 PolarHBondContact O-N 3.26Å; W170-C173 VanDerWaalsContact O-N 3.13Å; L171-C173 VanDerWaalsContact C-N 3.33Å; L171-C173 PolarHBondContact O-N 2.86Å; C173-R176 PolarHBondContact O-N 3.41Å; C173-G177 CarbonylContact O-C 3.54Å; C173-G177 VanDerWaalsContact O-CA 3.28Å; C173-G177 WeakPolarHBondContact O-CA 3.48Å; C173-G177 PolarHBondContact O-N 2.94Å; C173-S178 VanDerWaalsContact CB-O 3.32Å; C173-S178 WeakPolarHBondContact CB-O 3.47Å; C173-S178 PolarHBondContact O-N 2.81Å; C173-F180 HydrophobicContact CB-CB 4Å
174	V	95.1	Very high	96.5	Very high	55 Å²	55	17.1 Å²	17.1	33%	0.333	10%	0.096	S	C	.	.	H	α-helix	trans	-62.8	-46.4	173.3	172.8	0	0	0	0	111.1	W49 R53 W170 L171 V172 R176	W49-V174 HydrophobicContact CH2-CG1 4.18Å; R53-V174 PolarHBondContact NH2-O 2.88Å; W170-V174 HydrophobicContact CD2-CG2 4.22Å; W170-V174 HydrophobicContact CZ2-CG2 3.89Å; W170-V174 WeakPolarHBondContact O-CG2 3.45Å; W170-V174 PolarHBondContact O-N 3.19Å; L171-V174 PolarHBondContact O-N 3.02Å; V172-V174 VanDerWaalsContact C-N 3.33Å; V172-V174 PolarHBondContact O-N 3.32Å; V174-R176 VanDerWaalsContact C-N 3.35Å; V174-R176 PolarHBondContact O-N 2.8Å
175	L	92.8	Very high	96.7	Very high	35 Å²	35	18.3 Å²	18.3	18%	0.183	10%	0.101	C	C	.	.	H	α-helix	trans	-62.4	-41.6	179.7	-67.6	178.2	0	0	0	111.9	W49 R53 L147 L171 V172	W49-L175 HydrophobicContact CE3-CD2 4.08Å; W49-L175 HydrophobicContact CH2-CD2 3.9Å; W49-L175 HydrophobicContact CZ3-CD2 3.3Å; R53-L175 WeakPolarHBondContact CG-O 3.5Å; R53-L175 PolarHBondContact NE-O 3.23Å; L147-L175 HydrophobicContact CD2-CD1 4.3Å; L171-L175 HydrophobicContact CD1-CD1 4.36Å; L171-L175 HydrophobicContact CD1-CG 4.2Å; L171-L175 HydrophobicContact CG-CD1 4.18Å; L171-L175 HydrophobicContact CG-CG 4.41Å; L171-L175 VanDerWaalsContact O-CG 3.28Å; L171-L175 WeakPolarHBondContact O-CG 3.29Å; L171-L175 PolarHBondContact O-N 2.82Å; V172-L175 PolarHBondContact O-N 2.87Å
176	R	93.6	Very high	96.7	Very high	18 Å²	18	18.5 Å²	18.5	7%	0.068	10%	0.102	C	C	.	.	H	α-helix	trans	-96.1	-7.2	-173.1	-66.3	-172.4	164.2	-155	-11.6	114.7	L146 L147 L149 E150 L151 V172 C173 V174 S178	L146-R176 PolarHBondContact O-NH1 2.94Å; L146-R176 VanDerWaalsContact O-NH1 3.16Å; L147-R176 PolarHBondContact O-NH2 3.46Å; L149-R176 VanDerWaalsContact O-CZ 3.27Å; L149-R176 PolarHBondContact O-NH1 3.35Å; L149-R176 PolarHBondContact O-NH2 3.25Å; E150-R176 PolarHBondContact O-NH1 3.36Å; L151-R176 HydrophobicContact CG-CB 4.46Å; V172-R176 HydrophobicContact CG1-CG 4.29Å; V172-R176 WeakPolarHBondContact O-CB 3.29Å; V172-R176 PolarHBondContact O-N 3.42Å; C173-R176 PolarHBondContact O-N 3.41Å; V174-R176 VanDerWaalsContact C-N 3.35Å; V174-R176 PolarHBondContact O-N 2.8Å; R176-S178 VanDerWaalsContact C-N 3.28Å
177	G	92.9	Very high	96.6	Very high	22 Å²	22	18.6 Å²	18.6	23%	0.227	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	32.9	-173.9	0	0	0	0	0	112.8	R55 C173	R55-G177 PolarHBondContact NH2-O 3.03Å; C173-G177 CarbonylContact O-C 3.54Å; C173-G177 VanDerWaalsContact O-CA 3.28Å; C173-G177 WeakPolarHBondContact O-CA 3.48Å; C173-G177 PolarHBondContact O-N 2.94Å
178	S	94.8	Very high	96.5	Very high	12 Å²	12	18.5 Å²	18.5	8%	0.084	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-90.2	155.4	176.9	-51.3	0	0	0	0	110.7	Q152 A153 C173 R176	Q152-S178 VanDerWaalsContact O-CB 3.23Å; Q152-S178 WeakPolarHBondContact O-CB 3.34Å; Q152-S178 PolarHBondContact O-OG 3.46Å; A153-S178 WeakPolarHBondContact O-CA 3.29Å; C173-S178 VanDerWaalsContact CB-O 3.32Å; C173-S178 WeakPolarHBondContact CB-O 3.47Å; C173-S178 PolarHBondContact O-N 2.81Å; R176-S178 VanDerWaalsContact C-N 3.28Å
179	T	96.5	Very high	96.3	Very high	16 Å²	16	19.6 Å²	19.6	10%	0.098	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	130.6	173.2	-48.3	0	0	0	0	109.5	A153 H154 I155 I181	A153-T179 PolarHBondContact O-N 3.34Å; H154-T179 CarbonylContact C-O 3.54Å; H154-T179 WeakPolarHBondContact CA-O 3.28Å; H154-T179 WeakPolarHBondContact ND1-CB 3.26Å; I155-T179 PolarHBondContact N-O 2.9Å; T179-I181 HydrophobicContact CG2-CG1 4.38Å
180	F	98.2	Very high	96.1	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.009	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	126	176.8	-174.6	-144.8	0	0	0	110.7	I155 M157 I166 A169 W170 C173 I182 A217 S218 H219	I155-F180 HydrophobicContact CB-CD2 4.36Å; I155-F180 HydrophobicContact CG2-CD2 4.46Å; I155-F180 WeakPolarHBondContact O-CD2 3.31Å; M157-F180 HydrophobicContact CB-CE2 3.77Å; M157-F180 HydrophobicContact CB-CZ 4.31Å; M157-F180 HydrophobicContact SD-CE2 4.38Å; M157-F180 HydrophobicContact SD-CZ 4.17Å; I166-F180 HydrophobicContact CG2-CE1 3.99Å; I166-F180 HydrophobicContact CG2-CZ 4.31Å; A169-F180 HydrophobicContact CB-CD2 4.06Å; A169-F180 HydrophobicContact CB-CE1 4.48Å; A169-F180 HydrophobicContact CB-CE2 3.46Å; A169-F180 VanDerWaalsContact CB-CE2 3.46Å; A169-F180 HydrophobicContact CB-CZ 3.72Å; W170-F180 HydrophobicContact CB-CD1 3.92Å; W170-F180 HydrophobicContact CB-CE1 4.04Å; C173-F180 HydrophobicContact CB-CB 4Å; F180-I182 HydrophobicContact CD1-CG1 4.41Å; F180-I182 HydrophobicContact CE1-CD1 3.78Å; F180-I182 HydrophobicContact CE1-CG1 3.69Å; F180-I182 HydrophobicContact CE2-CG1 4.11Å; F180-I182 HydrophobicContact CZ-CD1 3.98Å; F180-I182 HydrophobicContact CZ-CG1 3.49Å; F180-I182 VanDerWaalsContact CZ-CG1 3.49Å; F180-A217 HydrophobicContact CD1-CB 3.91Å; F180-A217 HydrophobicContact CE1-CB 4.25Å; F180-S218 PolarHBondContact N-OG 3.27Å; F180-S218 WeakPolarHBondContact O-CA 3.4Å; F180-S218 WeakPolarHBondContact O-CB 3.35Å; F180-S218 PolarHBondContact O-N 3.43Å; F180-H219 PolarHBondContact O-N 3.2Å
181	I	98.5	Very high	95.8	Very high	1 Å²	1	20 Å²	20	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	127	178.8	-49.6	177	0	0	0	108.3	H154 I155 L156 M157 T179 H219 L221 L488	H154-I181 HydrophobicContact CB-CD1 4.48Å; I155-I181 PolarHBondContact O-N 2.67Å; L156-I181 CarbonylContact C-O 3.52Å; L156-I181 WeakPolarHBondContact CA-O 3.39Å; L156-I181 HydrophobicContact CD1-CB 3.82Å; L156-I181 HydrophobicContact CD1-CG2 3.51Å; M157-I181 PolarHBondContact N-O 3.29Å; T179-I181 HydrophobicContact CG2-CG1 4.38Å; I181-H219 WeakPolarHBondContact CA-O 3.39Å; I181-H219 HydrophobicContact CG1-CB 4.26Å; I181-H219 HydrophobicContact CG2-CB 4.22Å; I181-L221 HydrophobicContact CG2-CD1 4.43Å; I181-L221 HydrophobicContact CG2-CG 4.37Å; I181-L488 HydrophobicContact CD1-CD2 3.71Å
182	I	98.6	Very high	95.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.6	172.1	-58.8	171.9	0	0	0	108.7	N159 I166 F180 W184 A217 H219 S220 L221	N159-I182 HydrophobicContact CB-CG2 3.9Å; I166-I182 HydrophobicContact CD1-CD1 4.37Å; I166-I182 HydrophobicContact CG1-CD1 4.28Å; I166-I182 HydrophobicContact CG2-CD1 3.83Å; F180-I182 HydrophobicContact CD1-CG1 4.41Å; F180-I182 HydrophobicContact CE1-CD1 3.78Å; F180-I182 HydrophobicContact CE1-CG1 3.69Å; F180-I182 HydrophobicContact CE2-CG1 4.11Å; F180-I182 HydrophobicContact CZ-CD1 3.98Å; F180-I182 HydrophobicContact CZ-CG1 3.49Å; F180-I182 VanDerWaalsContact CZ-CG1 3.49Å; I182-W184 HydrophobicContact CD1-CZ2 3.85Å; I182-W184 HydrophobicContact CG2-CD2 3.9Å; I182-W184 HydrophobicContact CG2-CG 3.98Å; I182-W184 HydrophobicContact CG2-CZ2 4Å; I182-A217 HydrophobicContact CB-CB 4.41Å; I182-A217 HydrophobicContact CD1-CB 3.59Å; I182-A217 HydrophobicContact CG1-CB 3.69Å; I182-H219 PolarHBondContact N-O 3.22Å; I182-H219 VanDerWaalsContact N-O 3.1Å; I182-S220 CarbonylContact O-C 3.42Å; I182-S220 WeakPolarHBondContact O-CA 3.43Å; I182-L221 PolarHBondContact O-N 3.22Å
183	D	98.5	Very high	95.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	104.4	168.7	-171.8	20.4	0	0	0	109.6	R76 H80 L156 M157 N159 H185 L221	R76-D183 IonicContact CZ-OD1 2.74Å; R76-D183 IonicContact CZ-OD2 2.87Å; R76-D183 IonicContact NE-OD1 3.51Å; R76-D183 PolarHBondContact NE-OD1 2.95Å; R76-D183 IonicContact NE-OD2 3.62Å; R76-D183 PolarHBondContact NE-OD2 3.1Å; R76-D183 IonicContact NH2-OD1 3.09Å; R76-D183 PolarHBondContact NH2-OD1 2.72Å; R76-D183 IonicContact NH2-OD2 3.45Å; H80-D183 IonicContact CD2-OD2 3.59Å; H80-D183 IonicContact NE2-OD2 3.36Å; H80-D183 PolarHBondContact NE2-OD2 3.46Å; L156-D183 HydrophobicContact CD1-CB 4.2Å; M157-D183 PolarHBondContact O-N 3.17Å; N159-D183 PolarHBondContact N-O 3.48Å; D183-H185 VanDerWaalsContact CG-NE2 3.26Å; D183-H185 PolarHBondContact O-CD2 2.79Å; D183-H185 VanDerWaalsContact O-CD2 3.32Å; D183-H185 PolarHBondContact O-N 3.14Å; D183-H185 IonicContact OD1-CD2 3.85Å; D183-H185 IonicContact OD1-NE2 2.72Å; D183-H185 IonicContact OD2-CD2 3.71Å; D183-H185 IonicContact OD2-CE1 2.73Å; D183-H185 IonicContact OD2-NE2 3.58Å; D183-H185 PolarHBondContact OD2-NE2 3.45Å; D183-L221 HydrophobicContact CB-CB 4.24Å; D183-L221 WeakPolarHBondContact OD1-CB 3.35Å
184	W	98.1	Very high	94.8	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	107.6	-175.1	-62.5	88	0	0	0	110.7	N159 I166 I182 Y187 S220 L221 C222 V223 M227 L231 W235	N159-W184 HydrophobicContact CB-CE3 4.37Å; N159-W184 WeakPolarHBondContact ND2-CZ3 3.28Å; I166-W184 HydrophobicContact CD1-CH2 4.29Å; I182-W184 HydrophobicContact CD1-CZ2 3.85Å; I182-W184 HydrophobicContact CG2-CD2 3.9Å; I182-W184 HydrophobicContact CG2-CG 3.98Å; I182-W184 HydrophobicContact CG2-CZ2 4Å; W184-Y187 HydrophobicContact CE3-CD1 4.02Å; W184-Y187 AromaticContact CE3-CE1 3.97Å; W184-Y187 HydrophobicContact CE3-CE1 3.97Å; W184-Y187 HydrophobicContact CZ3-CD1 4.08Å; W184-Y187 HydrophobicContact CZ3-CE1 4.18Å; W184-S220 PolarHBondContact NE1-OG 3.17Å; W184-S220 VanDerWaalsContact NE1-OG 3.15Å; W184-L221 WeakPolarHBondContact CB-O 3.49Å; W184-L221 PolarHBondContact N-O 2.98Å; W184-C222 HydrophobicContact CB-CB 4.16Å; W184-C222 WeakPolarHBondContact O-CA 3.46Å; W184-V223 PolarHBondContact O-N 3.44Å; W184-M227 HydrophobicContact CB-CE 3.61Å; W184-M227 HydrophobicContact CB-SD 3.88Å; W184-M227 HydrophobicContact CE3-CE 4.29Å; W184-M227 HydrophobicContact CG-CE 4.44Å; W184-L231 HydrophobicContact CB-CD1 4.15Å; W184-L231 HydrophobicContact CD2-CD1 4.29Å; W184-L231 HydrophobicContact CD2-CD2 4.02Å; W184-L231 HydrophobicContact CE3-CD2 4.19Å; W184-L231 HydrophobicContact CG-CD1 3.87Å; W184-L231 HydrophobicContact CG-CD2 4.46Å; W184-L231 HydrophobicContact CZ2-CD2 4.47Å; W184-W235 HydrophobicContact CH2-CE3 4.08Å; W184-W235 HydrophobicContact CH2-CH2 4.31Å; W184-W235 AromaticContact CH2-CZ3 3.5Å; W184-W235 HydrophobicContact CH2-CZ3 3.5Å; W184-W235 VanDerWaalsContact CH2-CZ3 3.5Å; W184-W235 HydrophobicContact CZ3-CE3 4.36Å; W184-W235 AromaticContact CZ3-CH2 3.88Å; W184-W235 HydrophobicContact CZ3-CH2 3.88Å; W184-W235 AromaticContact CZ3-CZ3 3.54Å; W184-W235 HydrophobicContact CZ3-CZ3 3.54Å
185	H	96.3	Very high	94.4	Very high	33 Å²	33	26.3 Å²	26.3	15%	0.153	16%	0.155	C	C	.	.	S	Bend	trans	-97.9	-31.4	178.1	-61.4	-165.2	0	0	0	111.5	R76 N159 D183 V223 D401	R76-H185 VanDerWaalsContact CD-CE1 3.42Å; R76-H185 WeakPolarHBondContact CD-CE1 3.26Å; R76-H185 VanDerWaalsContact CD-NE2 3.34Å; R76-H185 WeakPolarHBondContact CD-NE2 3.28Å; R76-H185 PolarHBondContact NE-NE2 3.33Å; N159-H185 WeakPolarHBondContact O-CB 3.27Å; N159-H185 PolarHBondContact O-N 3.04Å; D183-H185 VanDerWaalsContact CG-NE2 3.26Å; D183-H185 PolarHBondContact O-CD2 2.79Å; D183-H185 VanDerWaalsContact O-CD2 3.32Å; D183-H185 PolarHBondContact O-N 3.14Å; D183-H185 IonicContact OD1-CD2 3.85Å; D183-H185 IonicContact OD1-NE2 2.72Å; D183-H185 IonicContact OD2-CD2 3.71Å; D183-H185 IonicContact OD2-CE1 2.73Å; D183-H185 IonicContact OD2-NE2 3.58Å; D183-H185 PolarHBondContact OD2-NE2 3.45Å; H185-V223 HydrophobicContact CB-CG1 4.32Å; H185-D401 WeakPolarHBondContact O-CB 3.08Å
186	N	95.6	Very high	94.1	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.021	16%	0.16	C	C	.	.	S	Bend	trans	-164.4	-178.2	173.9	-149.9	-36.7	0	0	0	108.2	N159 P160 T190 S397 S398 D401	N159-N186 PolarHBondContact ND2-O 2.79Å; P160-N186 HydrophobicContact CG-CB 4.19Å; N186-T190 PolarHBondContact OD1-OG1 2.91Å; N186-S397 PolarHBondContact ND2-OG 3.36Å; N186-S397 PolarHBondContact OD1-OG 3.5Å; N186-S398 WeakPolarHBondContact OD1-CB 3.29Å; N186-S398 PolarHBondContact OD1-OG 2.85Å; N186-D401 PolarHBondContact ND2-OD1 2.95Å; N186-D401 PolarHBondContact ND2-OD2 3.02Å
187	Y	96.4	Very high	94	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.008	17%	0.171	C	C	.	.			trans	-93.5	130.3	168.6	-62	-41.7	0	0	0	111.3	W184 Y189 T190 I191 M227 D230 L231 W235 L400	W184-Y187 HydrophobicContact CE3-CD1 4.02Å; W184-Y187 AromaticContact CE3-CE1 3.97Å; W184-Y187 HydrophobicContact CE3-CE1 3.97Å; W184-Y187 HydrophobicContact CZ3-CD1 4.08Å; W184-Y187 HydrophobicContact CZ3-CE1 4.18Å; Y187-Y189 AromaticContact CD2-CE1 3.84Å; Y187-Y189 HydrophobicContact CD2-CE1 3.84Å; Y187-Y189 HydrophobicContact CG-CD1 4.38Å; Y187-Y189 AromaticContact CG-CE1 3.77Å; Y187-Y189 HydrophobicContact CG-CE1 3.77Å; Y187-Y189 PolarHBondContact O-N 3.48Å; Y187-T190 HydrophobicContact CD2-CG2 4.39Å; Y187-T190 PolarHBondContact O-N 2.53Å; Y187-T190 PolarHBondContact O-OG1 2.94Å; Y187-I191 PolarHBondContact O-N 3.19Å; Y187-M227 HydrophobicContact CD1-CE 3.78Å; Y187-M227 HydrophobicContact CE1-CE 3.42Å; Y187-M227 VanDerWaalsContact CE1-CE 3.42Å; Y187-M227 HydrophobicContact CG-CE 4.49Å; Y187-D230 VanDerWaalsContact CE2-OD1 3.31Å; Y187-D230 WeakPolarHBondContact CE2-OD1 3.49Å; Y187-D230 VanDerWaalsContact CZ-OD1 3.29Å; Y187-D230 PolarHBondContact OH-OD1 2.82Å; Y187-L231 HydrophobicContact CE1-CD2 3.88Å; Y187-W235 AromaticContact CD1-CH2 3.48Å; Y187-W235 HydrophobicContact CD1-CH2 3.48Å; Y187-W235 VanDerWaalsContact CD1-CH2 3.48Å; Y187-W235 AromaticContact CD1-CZ2 3.43Å; Y187-W235 HydrophobicContact CD1-CZ2 3.43Å; Y187-W235 VanDerWaalsContact CD1-CZ2 3.43Å; Y187-W235 HydrophobicContact CD1-CZ3 4.47Å; Y187-W235 HydrophobicContact CD2-CZ2 4.08Å; Y187-W235 AromaticContact CE1-CE2 3.79Å; Y187-W235 AromaticContact CE1-CH2 3.6Å; Y187-W235 HydrophobicContact CE1-CH2 3.6Å; Y187-W235 AromaticContact CE1-CZ2 3.27Å; Y187-W235 HydrophobicContact CE1-CZ2 3.27Å; Y187-W235 HydrophobicContact CE1-CZ3 4.35Å; Y187-W235 AromaticContact CE2-CZ2 3.92Å; Y187-W235 HydrophobicContact CE2-CZ2 3.92Å; Y187-W235 HydrophobicContact CG-CH2 4.16Å; Y187-W235 AromaticContact CG-CZ2 3.86Å; Y187-W235 HydrophobicContact CG-CZ2 3.86Å; Y187-W235 AromaticContact CZ-CE2 3.76Å; Y187-W235 AromaticContact CZ-CZ2 3.53Å; Y187-W235 AromaticContact CZ-NE1 3.73Å; Y187-W235 PolarHBondContact OH-NE1 2.81Å; Y187-L400 HydrophobicContact CD2-CD1 4.43Å; Y187-L400 HydrophobicContact CE2-CD1 3.6Å
188	G	94.5	Very high	93.9	Very high	18 Å²	18	30.3 Å²	30.3	19%	0.186	19%	0.19	C	C	.	.	H	α-helix	trans	-59.8	-36.9	178	0	0	0	0	0	112.4	T190 M192 E210	G188-T190 PolarHBondContact O-N 2.96Å; G188-M192 PolarHBondContact O-N 2.91Å; G188-E210 WeakPolarHBondContact CA-OE2 3.42Å; G188-E210 VanDerWaalsContact N-CD 3.34Å; G188-E210 PolarHBondContact N-OE1 3.45Å; G188-E210 PolarHBondContact N-OE2 2.89Å
189	Y	94.8	Very high	93.8	Very high	36 Å²	36	34 Å²	34	14%	0.141	22%	0.216	C	C	.	.	H	α-helix	trans	-68.3	-32.1	179	80.4	-96.3	0	0	0	113.6	Y187 M192 A193 V203 K207 E210 W235	Y187-Y189 AromaticContact CD2-CE1 3.84Å; Y187-Y189 HydrophobicContact CD2-CE1 3.84Å; Y187-Y189 HydrophobicContact CG-CD1 4.38Å; Y187-Y189 AromaticContact CG-CE1 3.77Å; Y187-Y189 HydrophobicContact CG-CE1 3.77Å; Y187-Y189 PolarHBondContact O-N 3.48Å; Y189-M192 PolarHBondContact O-N 3.19Å; Y189-A193 WeakPolarHBondContact O-CB 3.41Å; Y189-A193 PolarHBondContact O-N 3.47Å; Y189-V203 HydrophobicContact CD2-CG1 4.21Å; Y189-V203 WeakPolarHBondContact O-CG1 3.49Å; Y189-K207 HydrophobicContact CD1-CB 3.78Å; Y189-K207 HydrophobicContact CD1-CD 4.47Å; Y189-K207 HydrophobicContact CD1-CG 3.81Å; Y189-K207 HydrophobicContact CD2-CB 3.99Å; Y189-K207 HydrophobicContact CD2-CD 4.19Å; Y189-K207 HydrophobicContact CD2-CG 4.24Å; Y189-K207 HydrophobicContact CE1-CB 4.28Å; Y189-K207 HydrophobicContact CE1-CD 4.14Å; Y189-K207 HydrophobicContact CE1-CG 3.79Å; Y189-K207 HydrophobicContact CE2-CB 4.48Å; Y189-K207 HydrophobicContact CE2-CD 3.86Å; Y189-K207 HydrophobicContact CE2-CG 4.25Å; Y189-K207 HydrophobicContact CG-CB 3.63Å; Y189-K207 HydrophobicContact CG-CG 4.05Å; Y189-E210 WeakPolarHBondContact CD1-OE2 3.45Å; Y189-E210 PolarHBondContact N-OE2 3.42Å; Y189-W235 HydrophobicContact CE1-CH2 4.32Å; Y189-W235 AromaticContact CE1-CZ2 3.9Å; Y189-W235 HydrophobicContact CE1-CZ2 3.9Å
190	T	94.4	Very high	93.7	Very high	15 Å²	15	36.2 Å²	36.2	9%	0.092	23%	0.225	C	C	.	.	H	α-helix	trans	-73.5	-39	178.6	56.2	0	0	0	0	110.8	N186 Y187 G188 M192 A193 L194 S397	N186-T190 PolarHBondContact OD1-OG1 2.91Å; Y187-T190 HydrophobicContact CD2-CG2 4.39Å; Y187-T190 PolarHBondContact O-N 2.53Å; Y187-T190 PolarHBondContact O-OG1 2.94Å; G188-T190 PolarHBondContact O-N 2.96Å; T190-M192 VanDerWaalsContact C-N 3.33Å; T190-M192 PolarHBondContact O-N 3.4Å; T190-A193 VanDerWaalsContact O-CB 3.32Å; T190-A193 WeakPolarHBondContact O-CB 3.21Å; T190-A193 PolarHBondContact O-N 2.92Å; T190-A193 VanDerWaalsContact O-N 3.12Å; T190-L194 PolarHBondContact O-N 2.7Å; T190-S397 WeakPolarHBondContact CB-OG 3.46Å; T190-S397 PolarHBondContact OG1-OG 3.44Å
191	I	91.3	Very high	93.4	Very high	77 Å²	77	40.6 Å²	40.6	40%	0.395	25%	0.254	S	S	.	.	H	α-helix	trans	-60.4	-44.7	172.1	-60.7	-67.8	0	0	0	110.6	P160 Y187 A193 L194 S397	P160-I191 HydrophobicContact CG-CG1 4.22Å; Y187-I191 PolarHBondContact O-N 3.19Å; I191-A193 VanDerWaalsContact C-N 3.26Å; I191-A193 PolarHBondContact O-N 2.99Å; I191-L194 WeakPolarHBondContact O-CB 3.45Å; I191-L194 PolarHBondContact O-N 3.45Å; I191-S397 VanDerWaalsContact CD1-OG 3.26Å; I191-S397 WeakPolarHBondContact CD1-OG 3.44Å
192	M	90.2	Very high	93	Very high	55 Å²	55	42.1 Å²	42.1	27%	0.271	26%	0.262	S	S	.	.	H	α-helix	trans	-66.3	-28.8	176.8	-171	169.8	65.3	0	0	112.9	G188 Y189 T190 L194 S195 L196 L202 V203 A206	G188-M192 PolarHBondContact O-N 2.91Å; Y189-M192 PolarHBondContact O-N 3.19Å; T190-M192 VanDerWaalsContact C-N 3.33Å; T190-M192 PolarHBondContact O-N 3.4Å; M192-L194 VanDerWaalsContact C-N 3.25Å; M192-L194 PolarHBondContact O-N 2.79Å; M192-S195 PolarHBondContact O-N 3.08Å; M192-L196 HydrophobicContact CG-CD1 3.78Å; M192-L196 HydrophobicContact CG-CG 4.31Å; M192-L196 PolarHBondContact O-N 2.87Å; M192-L196 VanDerWaalsContact O-N 3.12Å; M192-L196 HydrophobicContact SD-CD1 4.03Å; M192-L202 HydrophobicContact CE-CB 4.08Å; M192-L202 WeakPolarHBondContact CE-O 3.01Å; M192-V203 HydrophobicContact CB-CG2 4.41Å; M192-V203 HydrophobicContact CE-CB 4.15Å; M192-V203 HydrophobicContact CE-CG2 3.75Å; M192-V203 HydrophobicContact CG-CG2 4.14Å; M192-A206 HydrophobicContact CE-CB 3.49Å; M192-A206 VanDerWaalsContact CE-CB 3.49Å
193	A	92.5	Very high	92.7	Very high	20 Å²	20	42.4 Å²	42.4	17%	0.165	26%	0.263	C	S	.	.	H	α-helix	trans	-66.7	-25	176.9	0	0	0	0	0	112.9	Y189 T190 I191 S195 G197 A198 V203	Y189-A193 WeakPolarHBondContact O-CB 3.41Å; Y189-A193 PolarHBondContact O-N 3.47Å; T190-A193 VanDerWaalsContact O-CB 3.32Å; T190-A193 WeakPolarHBondContact O-CB 3.21Å; T190-A193 PolarHBondContact O-N 2.92Å; T190-A193 VanDerWaalsContact O-N 3.12Å; I191-A193 VanDerWaalsContact C-N 3.26Å; I191-A193 PolarHBondContact O-N 2.99Å; A193-S195 VanDerWaalsContact C-N 3.32Å; A193-S195 PolarHBondContact O-N 3.34Å; A193-G197 CarbonylContact O-C 3.6Å; A193-G197 WeakPolarHBondContact O-CA 3.37Å; A193-G197 PolarHBondContact O-N 3.25Å; A193-A198 HydrophobicContact CB-CB 4.33Å; A193-V203 HydrophobicContact CB-CG1 3.97Å; A193-V203 HydrophobicContact CB-CG2 4.3Å
194	L	88.1	Confident	92.5	Very high	82 Å²	82	49.3 Å²	49.3	43%	0.429	29%	0.289	S	S	.	.	H	α-helix	trans	-59.6	-43.3	175.2	-63.2	174.8	0	0	0	111.2	T190 I191 M192	T190-L194 PolarHBondContact O-N 2.7Å; I191-L194 WeakPolarHBondContact O-CB 3.45Å; I191-L194 PolarHBondContact O-N 3.45Å; M192-L194 VanDerWaalsContact C-N 3.25Å; M192-L194 PolarHBondContact O-N 2.79Å
195	S	85.3	Confident	92.3	Very high	104 Å²	104	54.6 Å²	54.6	73%	0.727	32%	0.317	S	S	*	.	H	α-helix	trans	-89.7	-31.5	-178.2	-50.7	0	0	0	0	114.7	M192 A193	M192-S195 PolarHBondContact O-N 3.08Å; A193-S195 VanDerWaalsContact C-N 3.32Å; A193-S195 PolarHBondContact O-N 3.34Å
196	L	87.6	Confident	92.2	Very high	55 Å²	55	53.5 Å²	53.5	29%	0.288	31%	0.314	S	S	.	.	H	α-helix	trans	-104.6	-14.7	-174.3	-62.3	-176.8	0	0	0	114.1	M192 H200 L202 V203	M192-L196 HydrophobicContact CG-CD1 3.78Å; M192-L196 HydrophobicContact CG-CG 4.31Å; M192-L196 PolarHBondContact O-N 2.87Å; M192-L196 VanDerWaalsContact O-N 3.12Å; M192-L196 HydrophobicContact SD-CD1 4.03Å; L196-H200 HydrophobicContact CB-CB 3.95Å; L196-H200 WeakPolarHBondContact O-CB 3.3Å; L196-L202 HydrophobicContact CD1-CB 4.36Å; L196-L202 HydrophobicContact CD1-CD1 4.29Å; L196-V203 HydrophobicContact CB-CG2 4.22Å
197	G	90.8	Very high	92.2	Very high	29 Å²	29	58.2 Å²	58.2	30%	0.299	33%	0.334	S	S	.	.			trans	83.9	144	-169.9	0	0	0	0	0	113.1	A193 S199 H200	A193-G197 CarbonylContact O-C 3.6Å; A193-G197 WeakPolarHBondContact O-CA 3.37Å; A193-G197 PolarHBondContact O-N 3.25Å; G197-S199 PolarHBondContact O-N 3.45Å; G197-H200 VanDerWaalsContact O-CB 3.24Å; G197-H200 WeakPolarHBondContact O-CB 3.18Å; G197-H200 PolarHBondContact O-N 3.06Å; G197-H200 VanDerWaalsContact O-N 3.1Å
198	A	91.6	Very high	92.2	Very high	76 Å²	76	66.9 Å²	66.9	63%	0.628	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-25.8	-175.9	0	0	0	0	0	114.4	A193 H200	A193-A198 HydrophobicContact CB-CB 4.33Å; A198-H200 VanDerWaalsContact C-N 3.31Å
199	S	93	Very high	92.3	Very high	88 Å²	88	67.4 Å²	67.4	62%	0.615	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-9.8	179.6	61.1	0	0	0	0	113.5	G197 R204	G197-S199 PolarHBondContact O-N 3.45Å; S199-R204 PolarHBondContact O-NE 3.44Å; S199-R204 PolarHBondContact O-NH2 2.81Å
200	H	92.9	Very high	92.3	Very high	64 Å²	64	65.9 Å²	65.9	30%	0.296	36%	0.358	S	S	.	.			trans	-64.8	136.2	-173.3	-167.6	-85.3	0	0	0	112.3	L196 G197 A198 L202 V203 R204	L196-H200 HydrophobicContact CB-CB 3.95Å; L196-H200 WeakPolarHBondContact O-CB 3.3Å; G197-H200 VanDerWaalsContact O-CB 3.24Å; G197-H200 WeakPolarHBondContact O-CB 3.18Å; G197-H200 PolarHBondContact O-N 3.06Å; G197-H200 VanDerWaalsContact O-N 3.1Å; A198-H200 VanDerWaalsContact C-N 3.31Å; H200-L202 VanDerWaalsContact C-N 3.29Å; H200-L202 WeakPolarHBondContact ND1-CB 3.34Å; H200-L202 PolarHBondContact ND1-N 2.82Å; H200-L202 PolarHBondContact O-N 2.93Å; H200-V203 HydrophobicContact CB-CB 4.46Å; H200-V203 HydrophobicContact CB-CG2 4.06Å; H200-V203 WeakPolarHBondContact O-CB 3.44Å; H200-V203 PolarHBondContact O-N 3Å; H200-R204 PolarHBondContact O-N 2.74Å
201	P	92.2	Very high	92.4	Very high	93 Å²	93	69.7 Å²	69.7	60%	0.604	37%	0.374	S	S	*	.	H	α-helix	trans	-56	-38.4	-177	-28.1	35.2	0	0	0	114.5	V203 R204 L205	P201-V203 VanDerWaalsContact C-N 3.31Å; P201-V203 PolarHBondContact O-N 3.26Å; P201-R204 PolarHBondContact O-N 2.88Å; P201-L205 PolarHBondContact O-N 3.37Å
202	L	89.8	Confident	92.6	Very high	34 Å²	34	71.4 Å²	71.4	18%	0.178	38%	0.384	C	S	.	.	H	α-helix	trans	-63	-36.6	175.9	-65.9	177.5	0	0	0	112.4	L128 Y131 M192 L196 H200 L205 A206	L128-L202 HydrophobicContact CD1-CD2 3.81Å; Y131-L202 HydrophobicContact CD2-CD1 3.82Å; Y131-L202 HydrophobicContact CE2-CD1 4.09Å; Y131-L202 HydrophobicContact CG-CD1 4.47Å; M192-L202 HydrophobicContact CE-CB 4.08Å; M192-L202 WeakPolarHBondContact CE-O 3.01Å; L196-L202 HydrophobicContact CD1-CB 4.36Å; L196-L202 HydrophobicContact CD1-CD1 4.29Å; H200-L202 VanDerWaalsContact C-N 3.29Å; H200-L202 WeakPolarHBondContact ND1-CB 3.34Å; H200-L202 PolarHBondContact ND1-N 2.82Å; H200-L202 PolarHBondContact O-N 2.93Å; L202-L205 PolarHBondContact O-N 2.99Å; L202-A206 WeakPolarHBondContact O-CB 3.29Å; L202-A206 PolarHBondContact O-N 2.85Å
203	V	93.1	Very high	92.9	Very high	5 Å²	5	71 Å²	71	3%	0.03	38%	0.38	C	S	.	.	H	α-helix	trans	-65.1	-43.3	177.5	173.8	0	0	0	0	110.2	Y189 M192 A193 L196 H200 P201 L205 A206 K207	Y189-V203 HydrophobicContact CD2-CG1 4.21Å; Y189-V203 WeakPolarHBondContact O-CG1 3.49Å; M192-V203 HydrophobicContact CB-CG2 4.41Å; M192-V203 HydrophobicContact CE-CB 4.15Å; M192-V203 HydrophobicContact CE-CG2 3.75Å; M192-V203 HydrophobicContact CG-CG2 4.14Å; A193-V203 HydrophobicContact CB-CG1 3.97Å; A193-V203 HydrophobicContact CB-CG2 4.3Å; L196-V203 HydrophobicContact CB-CG2 4.22Å; H200-V203 HydrophobicContact CB-CB 4.46Å; H200-V203 HydrophobicContact CB-CG2 4.06Å; H200-V203 WeakPolarHBondContact O-CB 3.44Å; H200-V203 PolarHBondContact O-N 3Å; P201-V203 VanDerWaalsContact C-N 3.31Å; P201-V203 PolarHBondContact O-N 3.26Å; V203-L205 VanDerWaalsContact C-N 3.32Å; V203-L205 PolarHBondContact O-N 2.83Å; V203-A206 PolarHBondContact O-N 3.32Å; V203-K207 WeakPolarHBondContact O-CB 3.42Å; V203-K207 PolarHBondContact O-N 3.5Å
204	R	95.2	Very high	93.1	Very high	146 Å²	146	70.1 Å²	70.1	55%	0.551	37%	0.373	S	S	*	.	H	α-helix	trans	-63.2	-38.4	174.5	-59.8	-178.6	-170.3	172.6	1.7	112.3	S199 H200 P201 R208	S199-R204 PolarHBondContact O-NE 3.44Å; S199-R204 PolarHBondContact O-NH2 2.81Å; H200-R204 PolarHBondContact O-N 2.74Å; P201-R204 PolarHBondContact O-N 2.88Å; R204-R208 WeakPolarHBondContact O-CG 3.44Å; R204-R208 PolarHBondContact O-N 2.67Å
205	L	93.6	Very high	93.5	Very high	110 Å²	110	68.8 Å²	68.8	58%	0.576	37%	0.369	S	S	*	.	H	α-helix	trans	-66.5	-45.7	176.1	-178.7	63.6	0	0	0	111.7	P201 L202 V203 K207 R208 Y209	P201-L205 PolarHBondContact O-N 3.37Å; L202-L205 PolarHBondContact O-N 2.99Å; V203-L205 VanDerWaalsContact C-N 3.32Å; V203-L205 PolarHBondContact O-N 2.83Å; L205-K207 VanDerWaalsContact C-N 3.33Å; L205-K207 PolarHBondContact O-N 3.27Å; L205-R208 PolarHBondContact O-N 2.97Å; L205-Y209 WeakPolarHBondContact O-CB 2.96Å; L205-Y209 PolarHBondContact O-N 3.37Å
206	A	93.6	Very high	94.1	Very high	11 Å²	11	67.1 Å²	67.1	9%	0.091	35%	0.352	C	S	.	.	H	α-helix	trans	-60.5	-42.7	175.4	0	0	0	0	0	111.4	M192 L202 V203 R208 Y209 E210	M192-A206 HydrophobicContact CE-CB 3.49Å; M192-A206 VanDerWaalsContact CE-CB 3.49Å; L202-A206 WeakPolarHBondContact O-CB 3.29Å; L202-A206 PolarHBondContact O-N 2.85Å; V203-A206 PolarHBondContact O-N 3.32Å; A206-R208 PolarHBondContact O-N 3.02Å; A206-Y209 WeakPolarHBondContact O-CB 3.44Å; A206-Y209 PolarHBondContact O-N 3.11Å; A206-E210 PolarHBondContact O-N 3.17Å
207	K	96.2	Very high	94.5	Very high	102 Å²	102	65.3 Å²	65.3	44%	0.443	35%	0.345	S	S	.	.	H	α-helix	trans	-58.4	-47.6	174.2	-175.4	172.8	-175.5	173.9	0	111.8	Y189 V203 L205 Y209 E210 H211	Y189-K207 HydrophobicContact CD1-CB 3.78Å; Y189-K207 HydrophobicContact CD1-CD 4.47Å; Y189-K207 HydrophobicContact CD1-CG 3.81Å; Y189-K207 HydrophobicContact CD2-CB 3.99Å; Y189-K207 HydrophobicContact CD2-CD 4.19Å; Y189-K207 HydrophobicContact CD2-CG 4.24Å; Y189-K207 HydrophobicContact CE1-CB 4.28Å; Y189-K207 HydrophobicContact CE1-CD 4.14Å; Y189-K207 HydrophobicContact CE1-CG 3.79Å; Y189-K207 HydrophobicContact CE2-CB 4.48Å; Y189-K207 HydrophobicContact CE2-CD 3.86Å; Y189-K207 HydrophobicContact CE2-CG 4.25Å; Y189-K207 HydrophobicContact CG-CB 3.63Å; Y189-K207 HydrophobicContact CG-CG 4.05Å; V203-K207 WeakPolarHBondContact O-CB 3.42Å; V203-K207 PolarHBondContact O-N 3.5Å; L205-K207 VanDerWaalsContact C-N 3.33Å; L205-K207 PolarHBondContact O-N 3.27Å; K207-Y209 VanDerWaalsContact C-N 3.31Å; K207-Y209 PolarHBondContact O-N 2.98Å; K207-E210 PolarHBondContact O-N 3.3Å; K207-H211 VanDerWaalsContact O-CB 3.27Å; K207-H211 WeakPolarHBondContact O-CB 3.46Å; K207-H211 PolarHBondContact O-N 2.92Å
208	R	96.1	Very high	94.8	Very high	185 Å²	185	67.2 Å²	67.2	70%	0.698	35%	0.353	S	S	*	.	H	α-helix	trans	-62	-38.6	176.3	-74.1	175.9	-179.2	-179.6	-0.7	112.2	R204 L205 A206 L212	R204-R208 WeakPolarHBondContact O-CG 3.44Å; R204-R208 PolarHBondContact O-N 2.67Å; L205-R208 PolarHBondContact O-N 2.97Å; A206-R208 PolarHBondContact O-N 3.02Å; R208-L212 VanDerWaalsContact O-CB 3.28Å; R208-L212 WeakPolarHBondContact O-CB 3.42Å; R208-L212 PolarHBondContact O-N 2.9Å
209	Y	95.8	Very high	95.1	Very high	29 Å²	29	66.5 Å²	66.5	11%	0.114	34%	0.337	C	S	.	.	H	α-helix	trans	-62.8	-52.1	176.6	170.1	-89.4	0	0	0	111.4	G162 L163 P164 I166 A167 L205 A206 K207 H211 L212 F213	G162-Y209 PolarHBondContact O-OH 3.31Å; L163-Y209 HydrophobicContact CB-CD1 4.01Å; L163-Y209 HydrophobicContact CB-CE1 3.85Å; L163-Y209 HydrophobicContact CD1-CD1 3.71Å; L163-Y209 HydrophobicContact CD1-CD2 3.49Å; L163-Y209 VanDerWaalsContact CD1-CD2 3.49Å; L163-Y209 HydrophobicContact CD1-CE1 3.7Å; L163-Y209 HydrophobicContact CD1-CE2 3.46Å; L163-Y209 VanDerWaalsContact CD1-CE2 3.46Å; L163-Y209 HydrophobicContact CD1-CG 3.61Å; L163-Y209 HydrophobicContact CG-CD1 4.45Å; L163-Y209 HydrophobicContact CG-CE1 4.4Å; P164-Y209 WeakPolarHBondContact CA-OH 3.26Å; P164-Y209 PolarHBondContact O-OH 3.07Å; I166-Y209 HydrophobicContact CB-CE1 4.38Å; A167-Y209 HydrophobicContact CB-CE2 3.89Å; A167-Y209 VanDerWaalsContact CB-OH 3.26Å; A167-Y209 WeakPolarHBondContact CB-OH 3.26Å; A167-Y209 PolarHBondContact N-OH 2.76Å; L205-Y209 WeakPolarHBondContact O-CB 2.96Å; L205-Y209 PolarHBondContact O-N 3.37Å; A206-Y209 WeakPolarHBondContact O-CB 3.44Å; A206-Y209 PolarHBondContact O-N 3.11Å; K207-Y209 VanDerWaalsContact C-N 3.31Å; K207-Y209 PolarHBondContact O-N 2.98Å; Y209-H211 VanDerWaalsContact C-N 3.28Å; Y209-H211 PolarHBondContact O-N 2.9Å; Y209-L212 PolarHBondContact O-N 3.32Å; Y209-F213 AromaticContact CD2-CD2 3.41Å; Y209-F213 HydrophobicContact CD2-CD2 3.41Å; Y209-F213 VanDerWaalsContact CD2-CD2 3.41Å; Y209-F213 AromaticContact CD2-CE2 3.59Å; Y209-F213 HydrophobicContact CD2-CE2 3.59Å; Y209-F213 AromaticContact CE2-CD2 3.34Å; Y209-F213 HydrophobicContact CE2-CD2 3.34Å; Y209-F213 AromaticContact CE2-CE2 3.56Å; Y209-F213 HydrophobicContact CE2-CE2 3.56Å; Y209-F213 HydrophobicContact CE2-CG 4.14Å; Y209-F213 HydrophobicContact CE2-CZ 4.5Å; Y209-F213 HydrophobicContact CG-CD2 4.1Å; Y209-F213 AromaticContact CZ-CD2 3.98Å; Y209-F213 WeakPolarHBondContact O-CD2 3.47Å; Y209-F213 PolarHBondContact O-N 2.83Å
210	E	95.5	Very high	95.3	Very high	4 Å²	4	62.6 Å²	62.6	2%	0.019	31%	0.309	C	S	.	.	H	α-helix	trans	-62.8	-38.9	179.6	-69.1	-173	104.8	0	0	110.8	N159 G188 Y189 A206 K207 L212 G214 W235	N159-E210 PolarHBondContact ND2-OE1 2.94Å; N159-E210 PolarHBondContact OD1-OE1 2.86Å; G188-E210 WeakPolarHBondContact CA-OE2 3.42Å; G188-E210 VanDerWaalsContact N-CD 3.34Å; G188-E210 PolarHBondContact N-OE1 3.45Å; G188-E210 PolarHBondContact N-OE2 2.89Å; Y189-E210 WeakPolarHBondContact CD1-OE2 3.45Å; Y189-E210 PolarHBondContact N-OE2 3.42Å; A206-E210 PolarHBondContact O-N 3.17Å; K207-E210 PolarHBondContact O-N 3.3Å; E210-L212 PolarHBondContact O-N 2.98Å; E210-G214 VanDerWaalsContact O-CA 3.28Å; E210-G214 WeakPolarHBondContact O-CA 3.49Å; E210-G214 PolarHBondContact O-N 3.25Å; E210-W235 HydrophobicContact CB-CH2 3.53Å; E210-W235 HydrophobicContact CB-CZ3 3.5Å; E210-W235 WeakPolarHBondContact O-CZ3 3.35Å
211	H	95.8	Very high	95.6	Very high	95 Å²	95	59.5 Å²	59.5	44%	0.44	30%	0.295	S	S	.	.	H	α-helix	trans	-67	-32.4	176.2	-171.6	77.5	0	0	0	113.6	K207 Y209 P215 N234 W235	K207-H211 VanDerWaalsContact O-CB 3.27Å; K207-H211 WeakPolarHBondContact O-CB 3.46Å; K207-H211 PolarHBondContact O-N 2.92Å; Y209-H211 VanDerWaalsContact C-N 3.28Å; Y209-H211 PolarHBondContact O-N 2.9Å; H211-P215 WeakPolarHBondContact O-CD 3.34Å; H211-P215 WeakPolarHBondContact O-CG 3.08Å; H211-N234 PolarHBondContact CE1-O 3.26Å; H211-N234 PolarHBondContact ND1-O 2.68Å; H211-W235 AromaticContact ND1-CG 3.98Å
212	L	96.1	Very high	95.9	Very high	113 Å²	113	55.1 Å²	55.1	59%	0.592	27%	0.267	S	S	*	.	H	α-helix	trans	-77.7	-44.2	178	177.6	63.8	0	0	0	112.5	R208 Y209 E210	R208-L212 VanDerWaalsContact O-CB 3.28Å; R208-L212 WeakPolarHBondContact O-CB 3.42Å; R208-L212 PolarHBondContact O-N 2.9Å; Y209-L212 PolarHBondContact O-N 3.32Å; E210-L212 PolarHBondContact O-N 2.98Å
213	F	96.8	Very high	96.3	Very high	47 Å²	47	53.8 Å²	53.8	21%	0.206	26%	0.26	C	S	.	.	H	α-helix	trans	-96	-24	-172.2	-72.3	-80.6	0	0	0	113.7	I166 A167 Y209 L216	I166-F213 HydrophobicContact CB-CB 4.39Å; I166-F213 HydrophobicContact CG2-CB 3.66Å; I166-F213 WeakPolarHBondContact CG2-O 3.43Å; A167-F213 HydrophobicContact CB-CD1 3.56Å; A167-F213 HydrophobicContact CB-CD2 4.22Å; A167-F213 HydrophobicContact CB-CE1 3.54Å; A167-F213 HydrophobicContact CB-CE2 4.19Å; A167-F213 HydrophobicContact CB-CG 3.93Å; A167-F213 HydrophobicContact CB-CZ 3.87Å; Y209-F213 AromaticContact CD2-CD2 3.41Å; Y209-F213 HydrophobicContact CD2-CD2 3.41Å; Y209-F213 VanDerWaalsContact CD2-CD2 3.41Å; Y209-F213 AromaticContact CD2-CE2 3.59Å; Y209-F213 HydrophobicContact CD2-CE2 3.59Å; Y209-F213 AromaticContact CE2-CD2 3.34Å; Y209-F213 HydrophobicContact CE2-CD2 3.34Å; Y209-F213 AromaticContact CE2-CE2 3.56Å; Y209-F213 HydrophobicContact CE2-CE2 3.56Å; Y209-F213 HydrophobicContact CE2-CG 4.14Å; Y209-F213 HydrophobicContact CE2-CZ 4.5Å; Y209-F213 HydrophobicContact CG-CD2 4.1Å; Y209-F213 AromaticContact CZ-CD2 3.98Å; Y209-F213 WeakPolarHBondContact O-CD2 3.47Å; Y209-F213 PolarHBondContact O-N 2.83Å; F213-L216 HydrophobicContact CD1-CD1 3.75Å; F213-L216 HydrophobicContact CE1-CD1 4.39Å; F213-L216 WeakPolarHBondContact O-CB 3.22Å; F213-L216 PolarHBondContact O-N 3.09Å; F213-L216 VanDerWaalsContact O-N 3.15Å
214	G	95.7	Very high	96.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-55.6	-48.3	178.5	0	0	0	0	0	113.6	E210 L216 A217	E210-G214 VanDerWaalsContact O-CA 3.28Å; E210-G214 WeakPolarHBondContact O-CA 3.49Å; E210-G214 PolarHBondContact O-N 3.25Å; G214-L216 PolarHBondContact O-N 3.37Å; G214-L216 VanDerWaalsContact O-N 3.07Å; G214-A217 PolarHBondContact O-N 3.03Å
215	P	97.3	Very high	96.6	Very high	55 Å²	55	49.9 Å²	49.9	36%	0.357	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-65.8	-7.8	178.1	-21.8	33.5	0	0	0	115.7	H211 A217 W235 V237	H211-P215 WeakPolarHBondContact O-CD 3.34Å; H211-P215 WeakPolarHBondContact O-CG 3.08Å; P215-A217 VanDerWaalsContact C-N 3.31Å; P215-W235 WeakPolarHBondContact CG-O 3.47Å; P215-V237 HydrophobicContact CB-CG2 4.06Å; P215-V237 HydrophobicContact CG-CG2 3.78Å
216	L	96.8	Very high	96.9	Very high	69 Å²	69	45.2 Å²	45.2	36%	0.361	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-83.9	-6.8	-179.7	-56.5	179	0	0	0	113.3	W170 F213 G214	W170-L216 VanDerWaalsContact CD1-CB 3.5Å; W170-L216 VanDerWaalsContact CD1-O 3.27Å; W170-L216 HydrophobicContact CD2-CB 4.38Å; W170-L216 HydrophobicContact CD2-CD1 3.93Å; W170-L216 HydrophobicContact CE3-CD1 4.33Å; W170-L216 HydrophobicContact CG-CB 4Å; W170-L216 HydrophobicContact CG-CD1 4.3Å; W170-L216 HydrophobicContact CH2-CD1 4.5Å; W170-L216 HydrophobicContact CZ2-CD1 4.12Å; F213-L216 HydrophobicContact CD1-CD1 3.75Å; F213-L216 HydrophobicContact CE1-CD1 4.39Å; F213-L216 WeakPolarHBondContact O-CB 3.22Å; F213-L216 PolarHBondContact O-N 3.09Å; F213-L216 VanDerWaalsContact O-N 3.15Å; G214-L216 PolarHBondContact O-N 3.37Å; G214-L216 VanDerWaalsContact O-N 3.07Å
217	A	97.1	Very high	97.1	Very high	17 Å²	17	44.7 Å²	44.7	14%	0.14	22%	0.223	C	C	.	.	S	Bend	trans	-68.6	145.4	173	0	0	0	0	0	111.5	F180 I182 G214 P215	F180-A217 HydrophobicContact CD1-CB 3.91Å; F180-A217 HydrophobicContact CE1-CB 4.25Å; I182-A217 HydrophobicContact CB-CB 4.41Å; I182-A217 HydrophobicContact CD1-CB 3.59Å; I182-A217 HydrophobicContact CG1-CB 3.69Å; G214-A217 PolarHBondContact O-N 3.03Å; P215-A217 VanDerWaalsContact C-N 3.31Å
218	S	96.9	Very high	97.2	Very high	69 Å²	69	43.6 Å²	43.6	48%	0.483	22%	0.218	S	C	.	.	S	Bend	trans	-69.8	-37.9	175.6	-48.9	0	0	0	0	111.4	F180	F180-S218 PolarHBondContact N-OG 3.27Å; F180-S218 WeakPolarHBondContact O-CA 3.4Å; F180-S218 WeakPolarHBondContact O-CB 3.35Å; F180-S218 PolarHBondContact O-N 3.43Å
219	H	97.7	Very high	97.3	Very high	60 Å²	60	39.4 Å²	39.4	28%	0.278	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	151.8	175.4	-55	-64.8	0	0	0	110.3	F180 I181 I182 L487	F180-H219 PolarHBondContact O-N 3.2Å; I181-H219 WeakPolarHBondContact CA-O 3.39Å; I181-H219 HydrophobicContact CG1-CB 4.26Å; I181-H219 HydrophobicContact CG2-CB 4.22Å; I182-H219 PolarHBondContact N-O 3.22Å; I182-H219 VanDerWaalsContact N-O 3.1Å; H219-L487 HydrophobicContact CB-CD1 4.27Å
220	S	98.2	Very high	97.4	Very high	6 Å²	6	39.9 Å²	39.9	4%	0.042	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	136.2	172.6	-71.4	0	0	0	0	110.8	I182 W184 V237 A239 T240	I182-S220 CarbonylContact O-C 3.42Å; I182-S220 WeakPolarHBondContact O-CA 3.43Å; W184-S220 PolarHBondContact NE1-OG 3.17Å; W184-S220 VanDerWaalsContact NE1-OG 3.15Å; S220-V237 VanDerWaalsContact OG-CG1 3.23Å; S220-V237 WeakPolarHBondContact OG-CG1 3.42Å; S220-A239 CarbonylContact O-C 3.58Å; S220-A239 VanDerWaalsContact O-CA 3.28Å; S220-A239 WeakPolarHBondContact O-CA 3.23Å; S220-T240 PolarHBondContact O-N 2.91Å
221	L	98.6	Very high	97.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	150.4	167.1	-62.2	173.1	0	0	0	108.6	L156 I181 I182 D183 W184 T240 L242 V484 L487	L156-L221 HydrophobicContact CD1-CD1 4.21Å; I181-L221 HydrophobicContact CG2-CD1 4.43Å; I181-L221 HydrophobicContact CG2-CG 4.37Å; I182-L221 PolarHBondContact O-N 3.22Å; D183-L221 HydrophobicContact CB-CB 4.24Å; D183-L221 WeakPolarHBondContact OD1-CB 3.35Å; W184-L221 WeakPolarHBondContact CB-O 3.49Å; W184-L221 PolarHBondContact N-O 2.98Å; L221-T240 CarbonylContact C-O 3.56Å; L221-T240 VanDerWaalsContact CA-O 3.26Å; L221-T240 WeakPolarHBondContact CA-O 3.49Å; L221-L242 HydrophobicContact CD1-CD2 4.3Å; L221-V484 HydrophobicContact CD1-CG1 4.28Å; L221-V484 HydrophobicContact CD1-CG2 3.93Å; L221-V484 HydrophobicContact CD2-CG2 4.21Å; L221-L487 HydrophobicContact CD2-CD1 3.61Å; L221-L487 HydrophobicContact CG-CD1 4.29Å
222	C	98.3	Very high	97.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	160.2	174.1	62.1	0	0	0	0	112.2	W184 T224 M227 L231 A239 T240 T241 L242	W184-C222 HydrophobicContact CB-CB 4.16Å; W184-C222 WeakPolarHBondContact O-CA 3.46Å; C222-T224 PolarHBondContact SG-O 3.41Å; C222-T224 VanDerWaalsContact SG-O 3.36Å; C222-M227 HydrophobicContact CB-CB 4.17Å; C222-M227 HydrophobicContact CB-CG 4.03Å; C222-M227 HydrophobicContact CB-SD 4.04Å; C222-L231 HydrophobicContact CB-CD1 3.96Å; C222-A239 HydrophobicContact CB-CB 4.26Å; C222-T240 PolarHBondContact N-O 3.01Å; C222-T241 CarbonylContact O-C 3.51Å; C222-T241 WeakPolarHBondContact O-CA 3.37Å; C222-L242 PolarHBondContact O-N 2.87Å
223	V	97.4	Very high	97.7	Very high	7 Å²	7	39.8 Å²	39.8	4%	0.042	22%	0.219	C	C	.	.	S	Bend	trans	-77.9	-20	-172.4	-72.6	0	0	0	0	114.9	W184 H185 M227 Y243 D401	W184-V223 PolarHBondContact O-N 3.44Å; H185-V223 HydrophobicContact CB-CG1 4.32Å; V223-M227 HydrophobicContact CG2-SD 3.97Å; V223-Y243 WeakPolarHBondContact O-CD1 3.18Å; V223-D401 HydrophobicContact CG2-CB 3.99Å
224	T	98.1	Very high	97.6	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.232	C	C	.	.			trans	-144.8	160.9	-174.2	59.8	0	0	0	0	112.1	C222 M227 K228 T241 L400 L402 C423 E426	C222-T224 PolarHBondContact SG-O 3.41Å; C222-T224 VanDerWaalsContact SG-O 3.36Å; T224-M227 PolarHBondContact O-N 2.92Å; T224-M227 WeakPolarHBondContact OG1-CB 3.08Å; T224-M227 PolarHBondContact OG1-N 3.21Å; T224-K228 PolarHBondContact O-N 3.01Å; T224-K228 VanDerWaalsContact O-N 3.11Å; T224-T241 VanDerWaalsContact C-CG2 3.41Å; T224-T241 PolarHBondContact O-OG1 3.35Å; T224-L400 VanDerWaalsContact CG2-O 3.3Å; T224-L400 WeakPolarHBondContact CG2-O 3.45Å; T224-L400 PolarHBondContact OG1-O 3.25Å; T224-L402 HydrophobicContact CG2-CB 4.49Å; T224-L402 HydrophobicContact CG2-CD1 3.66Å; T224-L402 HydrophobicContact CG2-CD2 4.33Å; T224-L402 HydrophobicContact CG2-CG 3.48Å; T224-L402 VanDerWaalsContact CG2-CG 3.48Å; T224-C423 HydrophobicContact CG2-CB 4.36Å; T224-E426 WeakPolarHBondContact CB-OE2 3.34Å
225	N	98.3	Very high	97.6	Very high	68 Å²	68	42.7 Å²	42.7	36%	0.364	24%	0.235	S	C	.	.	H	α-helix	trans	-68.7	-36.7	169	-80.2	-34.8	0	0	0	110.9	M227 K228 D229 T241 Y243 E426	N225-M227 VanDerWaalsContact C-N 3.29Å; N225-M227 PolarHBondContact O-N 3.09Å; N225-K228 VanDerWaalsContact O-CB 3.31Å; N225-K228 WeakPolarHBondContact O-CB 3.23Å; N225-K228 PolarHBondContact O-N 3.16Å; N225-K228 VanDerWaalsContact O-N 3.13Å; N225-D229 PolarHBondContact O-N 3.11Å; N225-T241 PolarHBondContact OD1-OG1 3.16Å; N225-T241 VanDerWaalsContact OD1-OG1 3.07Å; N225-Y243 VanDerWaalsContact CG-OH 3.31Å; N225-Y243 PolarHBondContact ND2-OH 3.3Å; N225-E426 PolarHBondContact N-OE1 2.93Å; N225-E426 PolarHBondContact N-OE2 3.13Å
226	A	98.3	Very high	97.6	Very high	12 Å²	12	42.8 Å²	42.8	10%	0.099	25%	0.246	C	C	.	.	H	α-helix	trans	-57.2	-42.3	173.2	0	0	0	0	0	112.2	D229 D230 L400 C423 E426	A226-D229 PolarHBondContact O-N 3.43Å; A226-D230 WeakPolarHBondContact O-CB 3.29Å; A226-D230 PolarHBondContact O-N 2.93Å; A226-L400 HydrophobicContact CB-CD2 3.92Å; A226-C423 HydrophobicContact CB-CB 3.52Å; A226-E426 VanDerWaalsContact CB-OE1 3.29Å; A226-E426 WeakPolarHBondContact CB-OE1 3.43Å; A226-E426 PolarHBondContact N-OE1 3.45Å
227	M	98.3	Very high	97.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-68.6	-39.3	175.7	-167.8	170.7	-160.2	0	0	111.7	W184 Y187 C222 V223 T224 N225 D229 D230 L231 L400	W184-M227 HydrophobicContact CB-CE 3.61Å; W184-M227 HydrophobicContact CB-SD 3.88Å; W184-M227 HydrophobicContact CE3-CE 4.29Å; W184-M227 HydrophobicContact CG-CE 4.44Å; Y187-M227 HydrophobicContact CD1-CE 3.78Å; Y187-M227 HydrophobicContact CE1-CE 3.42Å; Y187-M227 VanDerWaalsContact CE1-CE 3.42Å; Y187-M227 HydrophobicContact CG-CE 4.49Å; C222-M227 HydrophobicContact CB-CB 4.17Å; C222-M227 HydrophobicContact CB-CG 4.03Å; C222-M227 HydrophobicContact CB-SD 4.04Å; V223-M227 HydrophobicContact CG2-SD 3.97Å; T224-M227 PolarHBondContact O-N 2.92Å; T224-M227 WeakPolarHBondContact OG1-CB 3.08Å; T224-M227 PolarHBondContact OG1-N 3.21Å; N225-M227 VanDerWaalsContact C-N 3.29Å; N225-M227 PolarHBondContact O-N 3.09Å; M227-D229 VanDerWaalsContact C-N 3.33Å; M227-D229 PolarHBondContact O-N 3.44Å; M227-D230 PolarHBondContact O-N 3.37Å; M227-L231 HydrophobicContact CG-CD1 4.02Å; M227-L231 HydrophobicContact CG-CG 4.25Å; M227-L231 VanDerWaalsContact O-CB 3.28Å; M227-L231 WeakPolarHBondContact O-CB 3.25Å; M227-L231 VanDerWaalsContact O-CG 3.28Å; M227-L231 WeakPolarHBondContact O-CG 3.31Å; M227-L231 PolarHBondContact O-N 2.99Å; M227-L400 HydrophobicContact CB-CB 4.02Å; M227-L400 HydrophobicContact CG-CB 4.29Å
228	K	98.4	Very high	97.6	Very high	80 Å²	80	46.7 Å²	46.7	35%	0.348	26%	0.26	S	S	.	.	H	α-helix	trans	-56.1	-48.5	173.4	176.3	178.8	174	-176.9	0	111.4	T224 N225 L231 Q232 A239 T241	T224-K228 PolarHBondContact O-N 3.01Å; T224-K228 VanDerWaalsContact O-N 3.11Å; N225-K228 VanDerWaalsContact O-CB 3.31Å; N225-K228 WeakPolarHBondContact O-CB 3.23Å; N225-K228 PolarHBondContact O-N 3.16Å; N225-K228 VanDerWaalsContact O-N 3.13Å; K228-L231 PolarHBondContact O-N 3.46Å; K228-Q232 WeakPolarHBondContact O-CB 3.44Å; K228-Q232 PolarHBondContact O-N 3.25Å; K228-A239 VanDerWaalsContact CD-O 3.28Å; K228-A239 WeakPolarHBondContact CD-O 3.4Å; K228-A239 WeakPolarHBondContact CE-O 3.28Å; K228-A239 WeakPolarHBondContact CG-O 3.46Å; K228-T241 WeakPolarHBondContact CD-OG1 3.33Å
229	D	98.3	Very high	97.6	Very high	97 Å²	97	43.5 Å²	43.5	52%	0.519	24%	0.238	S	C	.	.	H	α-helix	trans	-66.4	-39.2	-179	-67.5	-17.9	0	0	0	111.6	N225 A226 M227 T233	N225-D229 PolarHBondContact O-N 3.11Å; A226-D229 PolarHBondContact O-N 3.43Å; M227-D229 VanDerWaalsContact C-N 3.33Å; M227-D229 PolarHBondContact O-N 3.44Å; D229-T233 VanDerWaalsContact O-CB 3.24Å; D229-T233 WeakPolarHBondContact O-CB 3.42Å; D229-T233 PolarHBondContact O-N 3.14Å; D229-T233 PolarHBondContact O-OG1 2.79Å
230	D	98.2	Very high	97.7	Very high	39 Å²	39	42.9 Å²	42.9	21%	0.209	24%	0.238	C	C	.	.	H	α-helix	trans	-66.4	-45.8	175.2	-173.1	-95.1	0	0	0	112.1	Y187 A226 M227 Q232 T233 N234 L400	Y187-D230 VanDerWaalsContact CE2-OD1 3.31Å; Y187-D230 WeakPolarHBondContact CE2-OD1 3.49Å; Y187-D230 VanDerWaalsContact CZ-OD1 3.29Å; Y187-D230 PolarHBondContact OH-OD1 2.82Å; A226-D230 WeakPolarHBondContact O-CB 3.29Å; A226-D230 PolarHBondContact O-N 2.93Å; M227-D230 PolarHBondContact O-N 3.37Å; D230-Q232 VanDerWaalsContact C-N 3.32Å; D230-Q232 PolarHBondContact O-N 3.15Å; D230-T233 PolarHBondContact O-N 3.18Å; D230-N234 WeakPolarHBondContact O-CA 3.43Å; D230-N234 VanDerWaalsContact O-CB 3.29Å; D230-N234 WeakPolarHBondContact O-CB 3.5Å; D230-N234 PolarHBondContact O-N 2.4Å; D230-N234 PolarHBondContact OD2-ND2 3.31Å; D230-L400 HydrophobicContact CB-CD1 3.71Å; D230-L400 HydrophobicContact CB-CD2 4.44Å
231	L	98.1	Very high	97.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.24	C	C	.	.	I	π-helix	trans	-58.5	-44.9	175.3	-80.1	172.3	0	0	0	111	W184 Y187 C222 M227 K228 W235 G236 V237 A239	W184-L231 HydrophobicContact CB-CD1 4.15Å; W184-L231 HydrophobicContact CD2-CD1 4.29Å; W184-L231 HydrophobicContact CD2-CD2 4.02Å; W184-L231 HydrophobicContact CE3-CD2 4.19Å; W184-L231 HydrophobicContact CG-CD1 3.87Å; W184-L231 HydrophobicContact CG-CD2 4.46Å; W184-L231 HydrophobicContact CZ2-CD2 4.47Å; Y187-L231 HydrophobicContact CE1-CD2 3.88Å; C222-L231 HydrophobicContact CB-CD1 3.96Å; M227-L231 HydrophobicContact CG-CD1 4.02Å; M227-L231 HydrophobicContact CG-CG 4.25Å; M227-L231 VanDerWaalsContact O-CB 3.28Å; M227-L231 WeakPolarHBondContact O-CB 3.25Å; M227-L231 VanDerWaalsContact O-CG 3.28Å; M227-L231 WeakPolarHBondContact O-CG 3.31Å; M227-L231 PolarHBondContact O-N 2.99Å; K228-L231 PolarHBondContact O-N 3.46Å; L231-W235 HydrophobicContact CD2-CD2 4.23Å; L231-W235 HydrophobicContact CD2-CE3 4.35Å; L231-W235 HydrophobicContact CD2-CG 4.32Å; L231-W235 CarbonylContact O-C 3.53Å; L231-W235 WeakPolarHBondContact O-CA 3.43Å; L231-W235 VanDerWaalsContact O-CB 3.24Å; L231-W235 WeakPolarHBondContact O-CB 3.44Å; L231-W235 PolarHBondContact O-N 3.26Å; L231-G236 PolarHBondContact O-N 2.87Å; L231-V237 CarbonylContact C-O 3.58Å; L231-V237 VanDerWaalsContact C-O 3.32Å; L231-V237 HydrophobicContact CB-CB 4.12Å; L231-V237 HydrophobicContact CB-CG1 4.49Å; L231-V237 HydrophobicContact CD2-CB 4.29Å; L231-V237 HydrophobicContact CD2-CG1 4.45Å; L231-V237 PolarHBondContact O-N 3.2Å; L231-A239 HydrophobicContact CD1-CB 3.84Å
232	Q	97.9	Very high	97.6	Very high	97 Å²	97	43.1 Å²	43.1	45%	0.453	24%	0.24	S	C	.	.	I	π-helix	trans	-65	-49.7	178.2	-176.8	63.1	26.1	0	0	111.4	K228 D230 G236 V237 E238	K228-Q232 WeakPolarHBondContact O-CB 3.44Å; K228-Q232 PolarHBondContact O-N 3.25Å; D230-Q232 VanDerWaalsContact C-N 3.32Å; D230-Q232 PolarHBondContact O-N 3.15Å; Q232-G236 WeakPolarHBondContact O-CA 3.48Å; Q232-G236 PolarHBondContact O-N 2.91Å; Q232-V237 WeakPolarHBondContact CA-O 3.48Å; Q232-V237 PolarHBondContact N-O 2.87Å; Q232-V237 PolarHBondContact OE1-O 3.22Å; Q232-E238 VanDerWaalsContact OE1-CA 3.23Å
233	T	97.2	Very high	97.4	Very high	113 Å²	113	45.3 Å²	45.3	69%	0.693	25%	0.248	S	C	*	.	I	π-helix	trans	-75.9	-43.6	-171.2	-55.2	0	0	0	0	112.4	D229 D230	D229-T233 VanDerWaalsContact O-CB 3.24Å; D229-T233 WeakPolarHBondContact O-CB 3.42Å; D229-T233 PolarHBondContact O-N 3.14Å; D229-T233 PolarHBondContact O-OG1 2.79Å; D230-T233 PolarHBondContact O-N 3.18Å
234	N	95.8	Very high	97.3	Very high	92 Å²	92	45.9 Å²	45.9	49%	0.492	25%	0.251	S	S	.	.	I	π-helix	trans	-98.5	-16.2	-171.4	-68.3	-49.5	0	0	0	113.4	H211 D230	H211-N234 PolarHBondContact CE1-O 3.26Å; H211-N234 PolarHBondContact ND1-O 2.68Å; D230-N234 WeakPolarHBondContact O-CA 3.43Å; D230-N234 VanDerWaalsContact O-CB 3.29Å; D230-N234 WeakPolarHBondContact O-CB 3.5Å; D230-N234 PolarHBondContact O-N 2.4Å; D230-N234 PolarHBondContact OD2-ND2 3.31Å
235	W	95.4	Very high	97	Very high	16 Å²	16	49 Å²	49	6%	0.061	26%	0.263	C	S	.	.	I	π-helix	trans	-126.7	-11.4	-176	-54.5	55.2	0	0	0	113.2	W184 Y187 Y189 E210 H211 P215 L231 V237	W184-W235 HydrophobicContact CH2-CE3 4.08Å; W184-W235 HydrophobicContact CH2-CH2 4.31Å; W184-W235 AromaticContact CH2-CZ3 3.5Å; W184-W235 HydrophobicContact CH2-CZ3 3.5Å; W184-W235 VanDerWaalsContact CH2-CZ3 3.5Å; W184-W235 HydrophobicContact CZ3-CE3 4.36Å; W184-W235 AromaticContact CZ3-CH2 3.88Å; W184-W235 HydrophobicContact CZ3-CH2 3.88Å; W184-W235 AromaticContact CZ3-CZ3 3.54Å; W184-W235 HydrophobicContact CZ3-CZ3 3.54Å; Y187-W235 AromaticContact CD1-CH2 3.48Å; Y187-W235 HydrophobicContact CD1-CH2 3.48Å; Y187-W235 VanDerWaalsContact CD1-CH2 3.48Å; Y187-W235 AromaticContact CD1-CZ2 3.43Å; Y187-W235 HydrophobicContact CD1-CZ2 3.43Å; Y187-W235 VanDerWaalsContact CD1-CZ2 3.43Å; Y187-W235 HydrophobicContact CD1-CZ3 4.47Å; Y187-W235 HydrophobicContact CD2-CZ2 4.08Å; Y187-W235 AromaticContact CE1-CE2 3.79Å; Y187-W235 AromaticContact CE1-CH2 3.6Å; Y187-W235 HydrophobicContact CE1-CH2 3.6Å; Y187-W235 AromaticContact CE1-CZ2 3.27Å; Y187-W235 HydrophobicContact CE1-CZ2 3.27Å; Y187-W235 HydrophobicContact CE1-CZ3 4.35Å; Y187-W235 AromaticContact CE2-CZ2 3.92Å; Y187-W235 HydrophobicContact CE2-CZ2 3.92Å; Y187-W235 HydrophobicContact CG-CH2 4.16Å; Y187-W235 AromaticContact CG-CZ2 3.86Å; Y187-W235 HydrophobicContact CG-CZ2 3.86Å; Y187-W235 AromaticContact CZ-CE2 3.76Å; Y187-W235 AromaticContact CZ-CZ2 3.53Å; Y187-W235 AromaticContact CZ-NE1 3.73Å; Y187-W235 PolarHBondContact OH-NE1 2.81Å; Y189-W235 HydrophobicContact CE1-CH2 4.32Å; Y189-W235 AromaticContact CE1-CZ2 3.9Å; Y189-W235 HydrophobicContact CE1-CZ2 3.9Å; E210-W235 HydrophobicContact CB-CH2 3.53Å; E210-W235 HydrophobicContact CB-CZ3 3.5Å; E210-W235 WeakPolarHBondContact O-CZ3 3.35Å; H211-W235 AromaticContact ND1-CG 3.98Å; P215-W235 WeakPolarHBondContact CG-O 3.47Å; L231-W235 HydrophobicContact CD2-CD2 4.23Å; L231-W235 HydrophobicContact CD2-CE3 4.35Å; L231-W235 HydrophobicContact CD2-CG 4.32Å; L231-W235 CarbonylContact O-C 3.53Å; L231-W235 WeakPolarHBondContact O-CA 3.43Å; L231-W235 VanDerWaalsContact O-CB 3.24Å; L231-W235 WeakPolarHBondContact O-CB 3.44Å; L231-W235 PolarHBondContact O-N 3.26Å; W235-V237 HydrophobicContact CB-CB 4.38Å; W235-V237 HydrophobicContact CB-CG2 3.8Å; W235-V237 PolarHBondContact O-N 3.29Å
236	G	95.9	Very high	96.6	Very high	56 Å²	56	48.1 Å²	48.1	58%	0.577	26%	0.261	S	S	*	.			trans	65.6	25.8	-173.8	0	0	0	0	0	112.7	L231 Q232	L231-G236 PolarHBondContact O-N 2.87Å; Q232-G236 WeakPolarHBondContact O-CA 3.48Å; Q232-G236 PolarHBondContact O-N 2.91Å
237	V	97.3	Very high	96	Very high	8 Å²	8	48.4 Å²	48.4	5%	0.048	26%	0.263	C	S	.	.			trans	-102.4	113	-178.9	177.9	0	0	0	0	109.4	P215 S220 L231 Q232 W235 A239	P215-V237 HydrophobicContact CB-CG2 4.06Å; P215-V237 HydrophobicContact CG-CG2 3.78Å; S220-V237 VanDerWaalsContact OG-CG1 3.23Å; S220-V237 WeakPolarHBondContact OG-CG1 3.42Å; L231-V237 CarbonylContact C-O 3.58Å; L231-V237 VanDerWaalsContact C-O 3.32Å; L231-V237 HydrophobicContact CB-CB 4.12Å; L231-V237 HydrophobicContact CB-CG1 4.49Å; L231-V237 HydrophobicContact CD2-CB 4.29Å; L231-V237 HydrophobicContact CD2-CG1 4.45Å; L231-V237 PolarHBondContact O-N 3.2Å; Q232-V237 WeakPolarHBondContact CA-O 3.48Å; Q232-V237 PolarHBondContact N-O 2.87Å; Q232-V237 PolarHBondContact OE1-O 3.22Å; W235-V237 HydrophobicContact CB-CB 4.38Å; W235-V237 HydrophobicContact CB-CG2 3.8Å; W235-V237 PolarHBondContact O-N 3.29Å; V237-A239 PolarHBondContact O-N 3.29Å
238	E	97.1	Very high	95.4	Very high	160 Å²	160	53.6 Å²	53.6	75%	0.748	30%	0.299	S	S	*	.			trans	-77.1	116.9	171.3	-169.9	176.2	177.3	0	0	109.6	Q232	Q232-E238 VanDerWaalsContact OE1-CA 3.23Å
239	A	97.9	Very high	95	Very high	3 Å²	3	54 Å²	54	3%	0.025	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	148.4	-178.3	0	0	0	0	0	112.2	S220 C222 K228 L231 V237	S220-A239 CarbonylContact O-C 3.58Å; S220-A239 VanDerWaalsContact O-CA 3.28Å; S220-A239 WeakPolarHBondContact O-CA 3.23Å; C222-A239 HydrophobicContact CB-CB 4.26Å; K228-A239 VanDerWaalsContact CD-O 3.28Å; K228-A239 WeakPolarHBondContact CD-O 3.4Å; K228-A239 WeakPolarHBondContact CE-O 3.28Å; K228-A239 WeakPolarHBondContact CG-O 3.46Å; L231-A239 HydrophobicContact CD1-CB 3.84Å; V237-A239 PolarHBondContact O-N 3.29Å
240	T	98	Very high	94.7	Very high	46 Å²	46	50.4 Å²	50.4	28%	0.282	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	127.5	168.6	-59	0	0	0	0	109.1	S220 L221 C222 L242 N483	S220-T240 PolarHBondContact O-N 2.91Å; L221-T240 CarbonylContact C-O 3.56Å; L221-T240 VanDerWaalsContact CA-O 3.26Å; L221-T240 WeakPolarHBondContact CA-O 3.49Å; C222-T240 PolarHBondContact N-O 3.01Å; T240-L242 PolarHBondContact O-N 2.92Å; T240-N483 HydrophobicContact CG2-CB 3.95Å
241	T	98	Very high	94.6	Very high	12 Å²	12	55.8 Å²	55.8	7%	0.074	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	122.3	178	-56.9	0	0	0	0	109.7	C222 T224 N225 K228 Y243	C222-T241 CarbonylContact O-C 3.51Å; C222-T241 WeakPolarHBondContact O-CA 3.37Å; T224-T241 VanDerWaalsContact C-CG2 3.41Å; T224-T241 PolarHBondContact O-OG1 3.35Å; N225-T241 PolarHBondContact OD1-OG1 3.16Å; N225-T241 VanDerWaalsContact OD1-OG1 3.07Å; K228-T241 WeakPolarHBondContact CD-OG1 3.33Å; T241-Y243 HydrophobicContact CG2-CD1 4.3Å; T241-Y243 HydrophobicContact CG2-CD2 3.98Å; T241-Y243 HydrophobicContact CG2-CE1 3.97Å; T241-Y243 HydrophobicContact CG2-CE2 3.62Å; T241-Y243 HydrophobicContact CG2-CG 4.31Å
242	L	97.4	Very high	94.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.314	C	S	.	.			trans	-119.1	99.3	172	177.9	72.4	0	0	0	107.2	R76 H80 L221 C222 T240 W476 N479 N483 V484	R76-L242 PolarHBondContact NH1-O 3.47Å; R76-L242 PolarHBondContact NH2-O 2.86Å; R76-L242 VanDerWaalsContact NH2-O 3.08Å; H80-L242 WeakPolarHBondContact CE1-CD2 3.38Å; L221-L242 HydrophobicContact CD1-CD2 4.3Å; C222-L242 PolarHBondContact O-N 2.87Å; T240-L242 PolarHBondContact O-N 2.92Å; L242-W476 HydrophobicContact CD2-CH2 3.8Å; L242-W476 HydrophobicContact CD2-CZ3 4.27Å; L242-W476 HydrophobicContact CG-CH2 4.42Å; L242-W476 HydrophobicContact CG-CZ3 4.41Å; L242-N479 VanDerWaalsContact CD1-ND2 3.33Å; L242-N479 WeakPolarHBondContact CD1-ND2 3.49Å; L242-N483 HydrophobicContact CD1-CB 4.15Å; L242-V484 HydrophobicContact CD1-CG2 4Å; L242-V484 HydrophobicContact CD2-CG2 3.66Å; L242-V484 HydrophobicContact CG-CG2 4.39Å
243	Y	95.3	Very high	94.5	Very high	45 Å²	45	54.1 Å²	54.1	18%	0.176	30%	0.295	C	S	.	.			trans	-67.7	140.8	176.6	-70.5	-71.2	0	0	0	111.9	V223 N225 T241 L402 E426 N479	V223-Y243 WeakPolarHBondContact O-CD1 3.18Å; N225-Y243 VanDerWaalsContact CG-OH 3.31Å; N225-Y243 PolarHBondContact ND2-OH 3.3Å; T241-Y243 HydrophobicContact CG2-CD1 4.3Å; T241-Y243 HydrophobicContact CG2-CD2 3.98Å; T241-Y243 HydrophobicContact CG2-CE1 3.97Å; T241-Y243 HydrophobicContact CG2-CE2 3.62Å; T241-Y243 HydrophobicContact CG2-CG 4.31Å; Y243-L402 HydrophobicContact CD1-CD1 4.19Å; Y243-L402 HydrophobicContact CE1-CD1 4.3Å; Y243-E426 HydrophobicContact CE1-CB 4.36Å; Y243-E426 WeakPolarHBondContact CE1-OE2 3.23Å; Y243-E426 PolarHBondContact OH-OE2 2.77Å; Y243-N479 PolarHBondContact O-ND2 3.15Å
244	D	93.6	Very high	94.5	Very high	20 Å²	20	52.1 Å²	52.1	11%	0.107	28%	0.283	C	S	.	.			trans	-65.3	147.1	166.4	-79.3	-76	0	0	0	111.5	R76 M404	R76-D244 WeakPolarHBondContact CD-OD1 2.91Å; R76-D244 IonicContact CZ-OD2 2.64Å; R76-D244 IonicContact NH1-OD1 3.77Å; R76-D244 IonicContact NH1-OD2 2.82Å; R76-D244 PolarHBondContact NH1-OD2 2.98Å; D244-M404 HydrophobicContact CB-CE 3.61Å; D244-M404 HydrophobicContact CB-SD 3.42Å; D244-M404 WeakPolarHBondContact CB-SD 3.42Å; D244-M404 WeakPolarHBondContact OD1-CE 3.19Å
245	R	92.3	Very high	94.6	Very high	65 Å²	65	50.8 Å²	50.8	25%	0.245	28%	0.276	C	S	.	.			trans	-133.5	143.7	-179.7	-65.3	-62.5	-178	-135	2.5	109.8	Q474 W476	R245-Q474 WeakPolarHBondContact CD-O 3.41Å; R245-Q474 PolarHBondContact NE-O 3.49Å; R245-W476 HydrophobicContact CB-CB 4.03Å
246	P	90.2	Very high	94.6	Very high	49 Å²	49	53.9 Å²	53.9	32%	0.318	29%	0.294	S	S	.	.			trans	-64.9	142.2	-178.6	25.4	-31.5	0	0	0	110.6	F250 V407	P246-F250 HydrophobicContact CB-CB 4.32Å; P246-V407 HydrophobicContact CB-CG1 4.17Å; P246-V407 HydrophobicContact CG-CG1 4.4Å
247	A	86.1	Confident	94.7	Very high	19 Å²	19	54.2 Å²	54.2	16%	0.157	28%	0.282	C	S	.	.			trans	-62.8	152.1	169.1	0	0	0	0	0	110.9	Y79 I249 F250	Y79-A247 WeakPolarHBondContact OH-CB 3.03Å; A247-I249 HydrophobicContact CB-CD1 4.46Å; A247-I249 HydrophobicContact CB-CG1 3.85Å; A247-I249 PolarHBondContact O-N 3.4Å; A247-F250 HydrophobicContact CB-CD2 3.86Å; A247-F250 HydrophobicContact CB-CE2 4.04Å; A247-F250 PolarHBondContact O-N 3.25Å
248	S	85.7	Confident	94.8	Very high	108 Å²	108	55 Å²	55	76%	0.755	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-16	-178.6	56.3	0	0	0	0	114.8	F250	S248-F250 VanDerWaalsContact C-N 3.29Å
249	I	88.8	Confident	94.8	Very high	89 Å²	89	47.3 Å²	47.3	46%	0.456	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-25.6	174.3	60.4	173.3	0	0	0	112.4	A247 R251 P381	A247-I249 HydrophobicContact CB-CD1 4.46Å; A247-I249 HydrophobicContact CB-CG1 3.85Å; A247-I249 PolarHBondContact O-N 3.4Å; I249-R251 PolarHBondContact O-N 3.18Å; I249-P381 HydrophobicContact CD1-CG 3.97Å; I249-P381 HydrophobicContact CG1-CG 4.26Å
250	F	93.3	Very high	94.8	Very high	21 Å²	21	52.5 Å²	52.5	9%	0.092	27%	0.273	C	S	.	.			trans	-82.1	107.3	175.6	-62.8	-71.2	0	0	0	109	P246 A247 S248 Y380 P381 L384 D408 G411	P246-F250 HydrophobicContact CB-CB 4.32Å; A247-F250 HydrophobicContact CB-CD2 3.86Å; A247-F250 HydrophobicContact CB-CE2 4.04Å; A247-F250 PolarHBondContact O-N 3.25Å; S248-F250 VanDerWaalsContact C-N 3.29Å; F250-Y380 AromaticContact CE1-CD1 3.82Å; F250-Y380 HydrophobicContact CE1-CD1 3.82Å; F250-Y380 AromaticContact CE1-CE1 3.68Å; F250-Y380 HydrophobicContact CE1-CE1 3.68Å; F250-Y380 HydrophobicContact CZ-CD1 4.23Å; F250-Y380 HydrophobicContact CZ-CE1 4.03Å; F250-P381 HydrophobicContact CD1-CB 3.8Å; F250-P381 HydrophobicContact CD1-CG 4.12Å; F250-P381 HydrophobicContact CE1-CB 3.96Å; F250-P381 HydrophobicContact CE1-CG 3.78Å; F250-P381 HydrophobicContact CZ-CG 4.37Å; F250-L384 HydrophobicContact CD1-CD1 4.04Å; F250-L384 HydrophobicContact CE1-CD1 3.96Å; F250-D408 HydrophobicContact CD1-CB 3.84Å; F250-D408 HydrophobicContact CD2-CB 4.27Å; F250-D408 HydrophobicContact CE1-CB 3.67Å; F250-D408 HydrophobicContact CE2-CB 4.12Å; F250-D408 WeakPolarHBondContact CE2-OD1 3.26Å; F250-D408 HydrophobicContact CG-CB 4.14Å; F250-D408 HydrophobicContact CZ-CB 3.81Å; F250-D408 WeakPolarHBondContact CZ-OD2 3.16Å; F250-G411 CarbonylContact C-O 3.54Å; F250-G411 CarbonylContact O-C 3.58Å; F250-G411 VanDerWaalsContact O-C 3.32Å
251	R	94.6	Very high	94.7	Very high	152 Å²	152	50.6 Å²	50.6	57%	0.574	26%	0.261	S	S	*	.	S	Bend	trans	-155	161.1	-179.4	59.5	-176.9	173.1	178.3	-1.6	109.1	I249 T253 G411 C412	I249-R251 PolarHBondContact O-N 3.18Å; R251-T253 PolarHBondContact O-N 3.09Å; R251-G411 WeakPolarHBondContact CA-O 3.31Å; R251-C412 PolarHBondContact N-SG 2.83Å; R251-C412 VanDerWaalsContact N-SG 3.36Å; R251-C412 PolarHBondContact O-SG 2.88Å
252	E	96.2	Very high	94.7	Very high	55 Å²	55	50.1 Å²	50.1	26%	0.257	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-55.1	132.9	170	-68.4	177.9	-128.1	0	0	110.4	P254 C412 C413 R469	E252-P254 WeakPolarHBondContact O-CD 3.41Å; E252-C412 WeakPolarHBondContact CG-O 3.47Å; E252-C413 HydrophobicContact CG-CB 3.74Å; E252-C413 VanDerWaalsContact OE1-CB 3.24Å; E252-C413 WeakPolarHBondContact OE1-CB 3.28Å; E252-C413 PolarHBondContact OE1-SG 3.25Å; E252-C413 VanDerWaalsContact OE1-SG 3.38Å; E252-R469 VanDerWaalsContact OE1-CG 3.26Å; E252-R469 WeakPolarHBondContact OE1-CG 3.44Å; E252-R469 IonicContact OE1-CZ 2.89Å; E252-R469 IonicContact OE1-NE 3.59Å; E252-R469 PolarHBondContact OE1-NE 3.2Å; E252-R469 IonicContact OE1-NH2 2.68Å; E252-R469 IonicContact OE2-CZ 3.47Å; E252-R469 IonicContact OE2-NE 3.1Å; E252-R469 PolarHBondContact OE2-NE 3.21Å; E252-R469 IonicContact OE2-NH2 3.86Å; E252-R469 PolarHBondContact OE2-NH2 3.41Å
253	T	98	Very high	94.7	Very high	8 Å²	8	52.4 Å²	52.4	5%	0.049	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-84.7	123.4	-176	-58.4	0	0	0	0	109	R251 L257 Q258 L382 G385	R251-T253 PolarHBondContact O-N 3.09Å; T253-L257 HydrophobicContact CG2-CB 3.74Å; T253-Q258 HydrophobicContact CG2-CB 4.44Å; T253-Q258 HydrophobicContact CG2-CG 3.62Å; T253-Q258 WeakPolarHBondContact O-CG 3.39Å; T253-Q258 PolarHBondContact O-NE2 3.25Å; T253-L382 HydrophobicContact CG2-CB 4.35Å; T253-L382 HydrophobicContact CG2-CD2 3.96Å; T253-L382 WeakPolarHBondContact OG1-CA 3.46Å; T253-L382 PolarHBondContact OG1-O 2.69Å; T253-G385 PolarHBondContact N-O 3.28Å; T253-G385 VanDerWaalsContact OG1-CA 3.3Å; T253-G385 WeakPolarHBondContact OG1-CA 3.18Å
254	P	97.7	Very high	94.7	Very high	70 Å²	70	55.3 Å²	55.3	46%	0.455	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-56	142.2	172.6	-24.6	33.4	0	0	0	111.9	E252 D256 L257 Q258	E252-P254 WeakPolarHBondContact O-CD 3.41Å; P254-D256 VanDerWaalsContact C-N 3.28Å; P254-D256 PolarHBondContact O-N 3.42Å; P254-D256 VanDerWaalsContact O-N 3.16Å; P254-L257 HydrophobicContact CG-CD1 4.25Å; P254-L257 WeakPolarHBondContact O-CA 3.33Å; P254-L257 WeakPolarHBondContact O-CB 3.47Å; P254-L257 PolarHBondContact O-N 3.27Å; P254-Q258 WeakPolarHBondContact O-CG 3.24Å; P254-Q258 PolarHBondContact O-N 3.15Å
255	L	97	Very high	94.9	Very high	65 Å²	65	54.8 Å²	54.8	34%	0.34	28%	0.28	S	S	.	.	H	α-helix	trans	-53.6	-39.8	-173	-77.6	176	0	0	0	114.1	L257 Q258 H259 V297 L299	L255-L257 VanDerWaalsContact C-N 3.31Å; L255-L257 PolarHBondContact O-N 2.85Å; L255-Q258 WeakPolarHBondContact O-CB 3.46Å; L255-Q258 PolarHBondContact O-N 2.91Å; L255-H259 PolarHBondContact O-N 3.45Å; L255-V297 HydrophobicContact CB-CG1 4.26Å; L255-L299 HydrophobicContact CD2-CD1 4.24Å; L255-L299 HydrophobicContact CD2-CD2 3.91Å; L255-L299 HydrophobicContact CD2-CG 3.76Å
256	D	96.9	Very high	95	Very high	81 Å²	81	52.3 Å²	52.3	43%	0.433	27%	0.274	S	S	.	.	H	α-helix	trans	-60.5	-41.4	176.7	-65.3	-52.3	0	0	0	112.3	P254 H259 Q260 V297	P254-D256 VanDerWaalsContact C-N 3.28Å; P254-D256 PolarHBondContact O-N 3.42Å; P254-D256 VanDerWaalsContact O-N 3.16Å; D256-H259 PolarHBondContact O-N 2.75Å; D256-Q260 WeakPolarHBondContact O-CG 3.48Å; D256-Q260 PolarHBondContact O-N 3.36Å; D256-V297 VanDerWaalsContact OD1-CG2 3.24Å; D256-V297 WeakPolarHBondContact OD1-CG2 3.43Å
257	L	97.8	Very high	95.1	Very high	63 Å²	63	55.8 Å²	55.8	33%	0.33	29%	0.29	S	S	.	.	H	α-helix	trans	-72.1	-33.8	176.4	-66	-177.4	0	0	0	111.6	T253 P254 L255 H259 L261 L382	T253-L257 HydrophobicContact CG2-CB 3.74Å; P254-L257 HydrophobicContact CG-CD1 4.25Å; P254-L257 WeakPolarHBondContact O-CA 3.33Å; P254-L257 WeakPolarHBondContact O-CB 3.47Å; P254-L257 PolarHBondContact O-N 3.27Å; L255-L257 VanDerWaalsContact C-N 3.31Å; L255-L257 PolarHBondContact O-N 2.85Å; L257-H259 VanDerWaalsContact C-N 3.34Å; L257-L261 WeakPolarHBondContact O-CB 3.37Å; L257-L261 PolarHBondContact O-N 3.26Å; L257-L382 HydrophobicContact CD1-CD2 4.5Å
258	Q	98.1	Very high	95.5	Very high	23 Å²	23	59.5 Å²	59.5	11%	0.107	31%	0.311	C	S	.	.	H	α-helix	trans	-60.2	-47.3	171.8	-54.8	-167.3	8.6	0	0	110.3	T253 P254 L255 L261 F262 S386	T253-Q258 HydrophobicContact CG2-CB 4.44Å; T253-Q258 HydrophobicContact CG2-CG 3.62Å; T253-Q258 WeakPolarHBondContact O-CG 3.39Å; T253-Q258 PolarHBondContact O-NE2 3.25Å; P254-Q258 WeakPolarHBondContact O-CG 3.24Å; P254-Q258 PolarHBondContact O-N 3.15Å; L255-Q258 WeakPolarHBondContact O-CB 3.46Å; L255-Q258 PolarHBondContact O-N 2.91Å; Q258-L261 WeakPolarHBondContact O-CB 3.47Å; Q258-L261 PolarHBondContact O-N 3.06Å; Q258-F262 HydrophobicContact CB-CD2 4.4Å; Q258-F262 HydrophobicContact CB-CE2 3.96Å; Q258-F262 HydrophobicContact CB-CZ 4.27Å; Q258-F262 WeakPolarHBondContact O-CB 3.43Å; Q258-F262 VanDerWaalsContact O-CD2 3.28Å; Q258-F262 WeakPolarHBondContact O-CD2 3.44Å; Q258-F262 WeakPolarHBondContact O-CG 3.41Å; Q258-F262 PolarHBondContact O-N 2.68Å; Q258-S386 WeakPolarHBondContact CG-OG 3.45Å
259	H	97.7	Very high	96	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.3	-43.8	-179.2	-178.5	81	0	0	0	112.5	L255 D256 L257 L261 F262 L263 E283 T288 V297	L255-H259 PolarHBondContact O-N 3.45Å; D256-H259 PolarHBondContact O-N 2.75Å; L257-H259 VanDerWaalsContact C-N 3.34Å; H259-L261 VanDerWaalsContact C-N 3.34Å; H259-L261 PolarHBondContact O-N 3.34Å; H259-F262 PolarHBondContact O-N 3.24Å; H259-L263 WeakPolarHBondContact O-CG 3.37Å; H259-L263 PolarHBondContact O-N 3.17Å; H259-E283 IonicContact CD2-OE1 3.55Å; H259-E283 PolarHBondContact CE1-O 2.89Å; H259-E283 IonicContact NE2-OE1 3.85Å; H259-E283 PolarHBondContact NE2-OE1 3.38Å; H259-T288 PolarHBondContact ND1-OG1 3.05Å; H259-V297 HydrophobicContact CB-CB 4.47Å; H259-V297 HydrophobicContact CB-CG1 3.58Å; H259-V297 HydrophobicContact CB-CG2 4.07Å
260	Q	97.3	Very high	96.3	Very high	111 Å²	111	55.3 Å²	55.3	52%	0.519	28%	0.284	S	S	.	.	H	α-helix	trans	-59.3	-44.4	173.3	-71.9	174.5	8.8	0	0	112.3	D256 L263 K264	D256-Q260 WeakPolarHBondContact O-CG 3.48Å; D256-Q260 PolarHBondContact O-N 3.36Å; Q260-L263 PolarHBondContact O-N 3.24Å; Q260-K264 PolarHBondContact O-N 2.89Å; Q260-K264 VanDerWaalsContact O-N 3.08Å
261	L	97.7	Very high	96.4	Very high	6 Å²	6	56.2 Å²	56.2	3%	0.031	29%	0.288	C	S	.	.	H	α-helix	trans	-61.3	-45.9	175.3	175.9	67.1	0	0	0	111.2	L257 Q258 H259 L263 K264 M265 D379 L382 L383	L257-L261 WeakPolarHBondContact O-CB 3.37Å; L257-L261 PolarHBondContact O-N 3.26Å; Q258-L261 WeakPolarHBondContact O-CB 3.47Å; Q258-L261 PolarHBondContact O-N 3.06Å; H259-L261 VanDerWaalsContact C-N 3.34Å; H259-L261 PolarHBondContact O-N 3.34Å; L261-L263 PolarHBondContact O-N 2.91Å; L261-K264 WeakPolarHBondContact O-CB 3.39Å; L261-K264 PolarHBondContact O-N 3.43Å; L261-M265 HydrophobicContact CD1-CG 4.26Å; L261-M265 HydrophobicContact CD1-SD 4.34Å; L261-M265 HydrophobicContact CG-CG 4.4Å; L261-M265 HydrophobicContact CG-SD 4.17Å; L261-M265 WeakPolarHBondContact O-CG 3.49Å; L261-M265 PolarHBondContact O-N 3.35Å; L261-D379 HydrophobicContact CD1-CB 3.98Å; L261-L382 HydrophobicContact CD2-CB 3.82Å; L261-L383 HydrophobicContact CD2-CB 3.93Å; L261-L383 HydrophobicContact CD2-CD1 4.05Å
262	F	97.9	Very high	96.5	Very high	2 Å²	2	49 Å²	49	1%	0.009	26%	0.261	C	S	.	.	H	α-helix	trans	-66	-36.5	-178.6	-64.3	-22.4	0	0	0	112.6	Q258 H259 M265 A266 F272 T285 F287 T288 L306 L383	Q258-F262 HydrophobicContact CB-CD2 4.4Å; Q258-F262 HydrophobicContact CB-CE2 3.96Å; Q258-F262 HydrophobicContact CB-CZ 4.27Å; Q258-F262 WeakPolarHBondContact O-CB 3.43Å; Q258-F262 VanDerWaalsContact O-CD2 3.28Å; Q258-F262 WeakPolarHBondContact O-CD2 3.44Å; Q258-F262 WeakPolarHBondContact O-CG 3.41Å; Q258-F262 PolarHBondContact O-N 2.68Å; H259-F262 PolarHBondContact O-N 3.24Å; F262-M265 PolarHBondContact O-N 3.3Å; F262-A266 VanDerWaalsContact O-CB 3.32Å; F262-A266 WeakPolarHBondContact O-CB 3.2Å; F262-A266 PolarHBondContact O-N 3.06Å; F262-F272 HydrophobicContact CB-CD1 4.23Å; F262-F272 AromaticContact CD1-CD1 3.77Å; F262-F272 HydrophobicContact CD1-CD1 3.77Å; F262-F272 AromaticContact CD1-CE1 3.59Å; F262-F272 HydrophobicContact CD1-CE1 3.59Å; F262-F272 HydrophobicContact CE1-CD1 4.48Å; F262-F272 AromaticContact CE1-CE1 3.92Å; F262-F272 HydrophobicContact CE1-CE1 3.92Å; F262-F272 HydrophobicContact CG-CD1 4.22Å; F262-F272 HydrophobicContact CG-CE1 4.45Å; F262-T285 HydrophobicContact CB-CG2 3.75Å; F262-F287 HydrophobicContact CD1-CD2 4.44Å; F262-F287 HydrophobicContact CD2-CB 3.76Å; F262-F287 HydrophobicContact CD2-CD2 4.02Å; F262-F287 HydrophobicContact CD2-CG 4.23Å; F262-F287 HydrophobicContact CE2-CB 3.57Å; F262-F287 HydrophobicContact CE2-CD2 4.1Å; F262-F287 AromaticContact CE2-CG 3.99Å; F262-F287 HydrophobicContact CE2-CG 3.99Å; F262-F287 HydrophobicContact CG-CD2 4.19Å; F262-F287 HydrophobicContact CZ-CB 4.37Å; F262-F287 HydrophobicContact CZ-CD2 4.32Å; F262-F287 HydrophobicContact CZ-CG 4.35Å; F262-T288 HydrophobicContact CD2-CG2 4.02Å; F262-T288 HydrophobicContact CE2-CG2 4.06Å; F262-L306 HydrophobicContact CE1-CD2 3.85Å; F262-L306 HydrophobicContact CZ-CD2 3.88Å; F262-L383 HydrophobicContact CE1-CD1 4.23Å
263	L	96.6	Very high	96.4	Very high	49 Å²	49	52.5 Å²	52.5	26%	0.257	27%	0.272	S	S	.	.	H	α-helix	trans	-60.7	-50.8	170.9	-73.4	170.6	0	0	0	111	H259 Q260 L261 M265 A266 D267 E283 T285	H259-L263 WeakPolarHBondContact O-CG 3.37Å; H259-L263 PolarHBondContact O-N 3.17Å; Q260-L263 PolarHBondContact O-N 3.24Å; L261-L263 PolarHBondContact O-N 2.91Å; L263-M265 VanDerWaalsContact C-N 3.26Å; L263-M265 PolarHBondContact O-N 3.47Å; L263-A266 WeakPolarHBondContact O-CB 3.26Å; L263-A266 PolarHBondContact O-N 3.18Å; L263-D267 PolarHBondContact O-N 2.95Å; L263-E283 HydrophobicContact CD1-CG 3.96Å; L263-E283 HydrophobicContact CD2-CG 4.09Å; L263-T285 HydrophobicContact CD2-CG2 3.79Å; L263-T285 HydrophobicContact CG-CG2 3.92Å
264	K	96	Very high	96	Very high	105 Å²	105	53.8 Å²	53.8	46%	0.457	28%	0.283	S	S	.	.	H	α-helix	trans	-57.1	-39.5	175.5	176.8	-179.1	171.7	-173.3	0	112.1	Q260 L261 D379	Q260-K264 PolarHBondContact O-N 2.89Å; Q260-K264 VanDerWaalsContact O-N 3.08Å; L261-K264 WeakPolarHBondContact O-CB 3.39Å; L261-K264 PolarHBondContact O-N 3.43Å; K264-D379 WeakPolarHBondContact CE-OD2 3.04Å; K264-D379 IonicContact NZ-OD1 2.73Å; K264-D379 PolarHBondContact NZ-OD1 2.79Å; K264-D379 IonicContact NZ-OD2 3.7Å; K264-D379 PolarHBondContact NZ-OD2 2.73Å
265	M	96.3	Very high	95	Very high	10 Å²	10	53.7 Å²	53.7	5%	0.049	28%	0.284	C	S	.	.	H	α-helix	trans	-70.1	-36.7	176.3	-71.4	-172.3	75.8	0	0	112.1	L261 F262 L263 D267 T268 Q269 F272 P373 L375 L383	L261-M265 HydrophobicContact CD1-CG 4.26Å; L261-M265 HydrophobicContact CD1-SD 4.34Å; L261-M265 HydrophobicContact CG-CG 4.4Å; L261-M265 HydrophobicContact CG-SD 4.17Å; L261-M265 WeakPolarHBondContact O-CG 3.49Å; L261-M265 PolarHBondContact O-N 3.35Å; F262-M265 PolarHBondContact O-N 3.3Å; L263-M265 VanDerWaalsContact C-N 3.26Å; L263-M265 PolarHBondContact O-N 3.47Å; M265-D267 PolarHBondContact O-N 3.4Å; M265-T268 PolarHBondContact O-N 2.9Å; M265-T268 VanDerWaalsContact O-N 3.1Å; M265-T268 PolarHBondContact O-OG1 3.43Å; M265-Q269 WeakPolarHBondContact O-CA 3.43Å; M265-Q269 VanDerWaalsContact O-CB 3.31Å; M265-Q269 WeakPolarHBondContact O-CB 3.02Å; M265-Q269 PolarHBondContact O-N 3.44Å; M265-F272 HydrophobicContact CB-CB 4.2Å; M265-F272 HydrophobicContact CB-CD1 3.77Å; M265-F272 HydrophobicContact CB-CD2 4.22Å; M265-F272 HydrophobicContact CB-CE1 4.22Å; M265-F272 HydrophobicContact CB-CG 3.79Å; M265-F272 HydrophobicContact CE-CD1 4.47Å; M265-F272 HydrophobicContact CE-CD2 4.19Å; M265-F272 HydrophobicContact CE-CE1 3.84Å; M265-F272 HydrophobicContact CE-CE2 3.51Å; M265-F272 HydrophobicContact CE-CZ 3.32Å; M265-F272 HydrophobicContact SD-CD1 4.1Å; M265-F272 HydrophobicContact SD-CE1 3.56Å; M265-F272 VanDerWaalsContact SD-CE1 3.56Å; M265-F272 HydrophobicContact SD-CE2 4.33Å; M265-F272 HydrophobicContact SD-CZ 3.7Å; M265-P373 HydrophobicContact CE-CG 4.06Å; M265-L375 HydrophobicContact CE-CD2 4.27Å; M265-L383 HydrophobicContact CE-CD1 4.39Å; M265-L383 HydrophobicContact CE-CD2 4.06Å; M265-L383 HydrophobicContact SD-CD1 3.76Å; M265-L383 HydrophobicContact SD-CD2 4.23Å
266	A	95.4	Very high	93.3	Very high	12 Å²	12	55 Å²	55	10%	0.099	31%	0.313	C	S	.	.	H	α-helix	trans	-61.3	-26.2	179.7	0	0	0	0	0	113.3	F262 L263 T268 F272 R273	F262-A266 VanDerWaalsContact O-CB 3.32Å; F262-A266 WeakPolarHBondContact O-CB 3.2Å; F262-A266 PolarHBondContact O-N 3.06Å; L263-A266 WeakPolarHBondContact O-CB 3.26Å; L263-A266 PolarHBondContact O-N 3.18Å; A266-T268 VanDerWaalsContact C-N 3.29Å; A266-T268 PolarHBondContact O-N 2.89Å; A266-F272 HydrophobicContact CB-CB 4.01Å; A266-R273 HydrophobicContact CB-CG 3.88Å; A266-R273 WeakPolarHBondContact O-CG 3.29Å; A266-R273 PolarHBondContact O-NE 3.02Å; A266-R273 PolarHBondContact O-NH2 3.04Å
267	D	92.9	Very high	91.6	Very high	123 Å²	123	55.9 Å²	55.9	66%	0.658	33%	0.326	S	S	*	.	H	α-helix	trans	-59.1	-41.8	174	-68.2	-25.1	0	0	0	111.7	L263 M265 R273	L263-D267 PolarHBondContact O-N 2.95Å; M265-D267 PolarHBondContact O-N 3.4Å; D267-R273 PolarHBondContact O-NH2 3.4Å; D267-R273 VanDerWaalsContact O-NH2 3.12Å
268	T	93.6	Very high	90	Very high	97 Å²	97	55.3 Å²	55.3	60%	0.595	32%	0.323	S	S	*	.	H	α-helix	trans	-107.1	-22.5	-174.3	65.9	0	0	0	0	114.1	M265 A266	M265-T268 PolarHBondContact O-N 2.9Å; M265-T268 VanDerWaalsContact O-N 3.1Å; M265-T268 PolarHBondContact O-OG1 3.43Å; A266-T268 VanDerWaalsContact C-N 3.29Å; A266-T268 PolarHBondContact O-N 2.89Å
269	Q	96	Very high	88.2	Confident	33 Å²	33	57.7 Å²	57.7	15%	0.154	34%	0.342	C	S	.	.			trans	-118.6	103.3	-175.5	-53.2	-51.2	-50.6	0	0	109.7	M265 Q271 F272 P373	M265-Q269 WeakPolarHBondContact O-CA 3.43Å; M265-Q269 VanDerWaalsContact O-CB 3.31Å; M265-Q269 WeakPolarHBondContact O-CB 3.02Å; M265-Q269 PolarHBondContact O-N 3.44Å; Q269-Q271 PolarHBondContact O-N 3.36Å; Q269-F272 HydrophobicContact CB-CD2 3.72Å; Q269-F272 HydrophobicContact CB-CE2 4.41Å; Q269-F272 HydrophobicContact CG-CD2 4.44Å; Q269-F272 PolarHBondContact O-N 3.34Å; Q269-P373 HydrophobicContact CG-CB 4.28Å
270	P	94.7	Very high	86.5	Confident	76 Å²	76	67.5 Å²	67.5	49%	0.494	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-56.1	-24.4	177.5	-26.5	35.1	0	0	0	114.1	F272 R273	P270-F272 PolarHBondContact O-N 2.8Å; P270-R273 PolarHBondContact O-N 3.04Å
271	Q	95.6	Very high	85	Confident	40 Å²	40	70.9 Å²	70.9	19%	0.187	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-63.9	-21.3	177.8	-58.5	81.7	-7.5	0	0	113.1	Q269 A286 V343 K369 I370 C371	Q269-Q271 PolarHBondContact O-N 3.36Å; Q271-A286 WeakPolarHBondContact O-CB 3.48Å; Q271-V343 HydrophobicContact CB-CG1 4.03Å; Q271-V343 HydrophobicContact CB-CG2 4.41Å; Q271-K369 HydrophobicContact CB-CB 4.4Å; Q271-K369 HydrophobicContact CB-CD 4.48Å; Q271-K369 HydrophobicContact CG-CB 3.75Å; Q271-K369 HydrophobicContact CG-CD 4.26Å; Q271-I370 PolarHBondContact NE2-O 3.37Å; Q271-C371 HydrophobicContact CG-CB 4.32Å
272	F	96.8	Very high	84	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-96	-9.5	179.7	-77.3	-103.9	0	0	0	113.2	F262 M265 A266 Q269 P270 T285 A286 F287 L306 V343 V345	F262-F272 HydrophobicContact CB-CD1 4.23Å; F262-F272 AromaticContact CD1-CD1 3.77Å; F262-F272 HydrophobicContact CD1-CD1 3.77Å; F262-F272 AromaticContact CD1-CE1 3.59Å; F262-F272 HydrophobicContact CD1-CE1 3.59Å; F262-F272 HydrophobicContact CE1-CD1 4.48Å; F262-F272 AromaticContact CE1-CE1 3.92Å; F262-F272 HydrophobicContact CE1-CE1 3.92Å; F262-F272 HydrophobicContact CG-CD1 4.22Å; F262-F272 HydrophobicContact CG-CE1 4.45Å; M265-F272 HydrophobicContact CB-CB 4.2Å; M265-F272 HydrophobicContact CB-CD1 3.77Å; M265-F272 HydrophobicContact CB-CD2 4.22Å; M265-F272 HydrophobicContact CB-CE1 4.22Å; M265-F272 HydrophobicContact CB-CG 3.79Å; M265-F272 HydrophobicContact CE-CD1 4.47Å; M265-F272 HydrophobicContact CE-CD2 4.19Å; M265-F272 HydrophobicContact CE-CE1 3.84Å; M265-F272 HydrophobicContact CE-CE2 3.51Å; M265-F272 HydrophobicContact CE-CZ 3.32Å; M265-F272 HydrophobicContact SD-CD1 4.1Å; M265-F272 HydrophobicContact SD-CE1 3.56Å; M265-F272 VanDerWaalsContact SD-CE1 3.56Å; M265-F272 HydrophobicContact SD-CE2 4.33Å; M265-F272 HydrophobicContact SD-CZ 3.7Å; A266-F272 HydrophobicContact CB-CB 4.01Å; Q269-F272 HydrophobicContact CB-CD2 3.72Å; Q269-F272 HydrophobicContact CB-CE2 4.41Å; Q269-F272 HydrophobicContact CG-CD2 4.44Å; Q269-F272 PolarHBondContact O-N 3.34Å; P270-F272 PolarHBondContact O-N 2.8Å; F272-T285 WeakPolarHBondContact O-CB 3.38Å; F272-A286 PolarHBondContact O-N 3.45Å; F272-F287 HydrophobicContact CD1-CD2 4.06Å; F272-F287 AromaticContact CD1-CE2 3.56Å; F272-F287 HydrophobicContact CD1-CE2 3.56Å; F272-F287 HydrophobicContact CE1-CD2 4.28Å; F272-F287 AromaticContact CE1-CE2 3.61Å; F272-F287 HydrophobicContact CE1-CE2 3.61Å; F272-F287 HydrophobicContact CE1-CZ 4.39Å; F272-F287 HydrophobicContact CG-CE2 4.13Å; F272-F287 HydrophobicContact CZ-CE2 4.22Å; F272-L306 HydrophobicContact CZ-CD1 4.15Å; F272-V343 HydrophobicContact CE2-CG1 4.01Å; F272-V343 HydrophobicContact CZ-CG1 4.39Å; F272-V345 HydrophobicContact CE2-CG2 4.01Å; F272-V345 HydrophobicContact CZ-CG2 3.79Å
273	R	94.8	Very high	83.6	Confident	129 Å²	129	76.8 Å²	76.8	49%	0.487	43%	0.434	S	S	.	.	B	Isolated β-bridge	trans	-71	146	178.6	-66.5	177.7	-173.9	165.7	0.7	110.6	A266 D267 P270	A266-R273 HydrophobicContact CB-CG 3.88Å; A266-R273 WeakPolarHBondContact O-CG 3.29Å; A266-R273 PolarHBondContact O-NE 3.02Å; A266-R273 PolarHBondContact O-NH2 3.04Å; D267-R273 PolarHBondContact O-NH2 3.4Å; D267-R273 VanDerWaalsContact O-NH2 3.12Å; P270-R273 PolarHBondContact O-N 3.04Å
274	A	88.8	Confident	83.5	Confident	35 Å²	35	75.2 Å²	75.2	29%	0.289	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-58.2	153.3	172	0	0	0	0	0	111.7	D278 A284	A274-D278 WeakPolarHBondContact CB-OD2 3.38Å; A274-A284 HydrophobicContact CB-CB 3.97Å
275	S	76.9	Confident	83.5	Confident	67 Å²	67	70.2 Å²	70.2	47%	0.469	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-75.5	146.9	176.4	-64.6	0	0	0	0	110	S277 D278	S275-S277 PolarHBondContact O-N 3.36Å; S275-D278 PolarHBondContact O-N 3.15Å
276	G	62.1	Low	83.4	Confident	93 Å²	93	70.3 Å²	70.3	96%	0.959	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	9.3	-170.8	0	0	0	0	0	117.4
277	S	60.2	Low	83.5	Confident	100 Å²	100	69.8 Å²	69.8	70%	0.699	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-7	172.8	54.5	0	0	0	0	113.6	S275	S275-S277 PolarHBondContact O-N 3.36Å
278	D	64	Low	83.7	Confident	51 Å²	51	64 Å²	64	27%	0.273	37%	0.373	S	S	.	.	S	Bend	trans	-82.8	134	-175	-62.8	-16.7	0	0	0	110.4	A274 S275 R300	A274-D278 WeakPolarHBondContact CB-OD2 3.38Å; S275-D278 PolarHBondContact O-N 3.15Å; D278-R300 IonicContact OD1-NH1 3.6Å; D278-R300 PolarHBondContact OD1-NH1 2.98Å; D278-R300 IonicContact OD1-NH2 3.89Å; D278-R300 IonicContact OD2-CZ 2.8Å; D278-R300 IonicContact OD2-NH1 2.82Å; D278-R300 PolarHBondContact OD2-NH1 3.23Å
279	S	61.1	Low	83.8	Confident	72 Å²	72	60.7 Å²	60.7	50%	0.503	35%	0.353	S	S	.	.			trans	-63.7	142.6	176.7	54.9	0	0	0	0	111	E281 T282	S279-E281 PolarHBondContact O-N 3.32Å; S279-T282 PolarHBondContact O-N 2.83Å; S279-T282 PolarHBondContact OG-OG1 3.13Å
280	E	61.8	Low	83.7	Confident	206 Å²	206	62.2 Å²	62.2	96%	0.963	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-19.3	-178.6	-66.3	-171.1	161.5	0	0	114.5
281	E	65.1	Low	83.4	Confident	183 Å²	183	61 Å²	61	86%	0.855	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-9.9	-178.9	-63.3	-176.1	168.8	0	0	114.7	S279	S279-E281 PolarHBondContact O-N 3.32Å
282	T	78	Confident	82.7	Confident	42 Å²	42	64.4 Å²	64.4	26%	0.258	37%	0.373	S	S	.	.	S	Bend	trans	-103.3	115.4	-175.5	-56.8	0	0	0	0	111.5	S279 A284 V289	S279-T282 PolarHBondContact O-N 2.83Å; S279-T282 PolarHBondContact OG-OG1 3.13Å; T282-A284 HydrophobicContact CG2-CB 4.47Å; T282-A284 PolarHBondContact O-N 3.42Å; T282-A284 VanDerWaalsContact O-N 3.07Å; T282-V289 HydrophobicContact CG2-CG2 3.39Å
283	E	90	Very high	82	Confident	90 Å²	90	68.4 Å²	68.4	42%	0.421	41%	0.413	S	S	.	.			trans	-69.5	103.4	172.5	-174.6	178.8	91.8	0	0	109.6	H259 L263 R290	H259-E283 IonicContact CD2-OE1 3.55Å; H259-E283 PolarHBondContact CE1-O 2.89Å; H259-E283 IonicContact NE2-OE1 3.85Å; H259-E283 PolarHBondContact NE2-OE1 3.38Å; L263-E283 HydrophobicContact CD1-CG 3.96Å; L263-E283 HydrophobicContact CD2-CG 4.09Å; E283-R290 HydrophobicContact CB-CB 4.22Å; E283-R290 PolarHBondContact O-N 2.9Å; E283-R290 IonicContact OE1-CZ 3.27Å; E283-R290 IonicContact OE1-NE 2.76Å; E283-R290 PolarHBondContact OE1-NE 3.08Å; E283-R290 IonicContact OE1-NH2 3.82Å; E283-R290 PolarHBondContact OE1-NH2 3.17Å
284	A	93.4	Very high	81.6	Confident	16 Å²	16	68.1 Å²	68.1	13%	0.132	42%	0.422	C	S	.	.	B	Isolated β-bridge	trans	-135	156	-174.8	0	0	0	0	0	112.3	A274 T282 V289	A274-A284 HydrophobicContact CB-CB 3.97Å; T282-A284 HydrophobicContact CG2-CB 4.47Å; T282-A284 PolarHBondContact O-N 3.42Å; T282-A284 VanDerWaalsContact O-N 3.07Å; A284-V289 HydrophobicContact CB-CB 4.46Å; A284-V289 HydrophobicContact CB-CG2 4.21Å
285	T	95.6	Very high	81.5	Confident	0 Å²	0	68 Å²	68	0%	0	42%	0.424	C	S	.	.	B	Isolated β-bridge	trans	-125.2	179.5	170	72.6	0	0	0	0	109.2	F262 L263 F272 F287 T288 R300	F262-T285 HydrophobicContact CB-CG2 3.75Å; L263-T285 HydrophobicContact CD2-CG2 3.79Å; L263-T285 HydrophobicContact CG-CG2 3.92Å; F272-T285 WeakPolarHBondContact O-CB 3.38Å; T285-F287 PolarHBondContact O-N 3.36Å; T285-F287 VanDerWaalsContact O-N 3.11Å; T285-F287 PolarHBondContact OG1-N 2.82Å; T285-F287 VanDerWaalsContact OG1-N 3.16Å; T285-T288 PolarHBondContact N-O 3.09Å; T285-T288 PolarHBondContact OG1-N 3.1Å; T285-T288 PolarHBondContact OG1-O 2.99Å; T285-T288 PolarHBondContact OG1-OG1 3.47Å; T285-R300 VanDerWaalsContact O-CD 3.32Å; T285-R300 WeakPolarHBondContact O-CD 3.29Å
286	A	95.7	Very high	82.3	Confident	12 Å²	12	66 Å²	66	10%	0.099	41%	0.414	C	S	.	.	S	Bend	trans	-57.9	-22.3	171.4	0	0	0	0	0	113.2	Q271 F272 P304	Q271-A286 WeakPolarHBondContact O-CB 3.48Å; F272-A286 PolarHBondContact O-N 3.45Å; A286-P304 HydrophobicContact CB-CG 4.5Å; A286-P304 VanDerWaalsContact O-CD 3.25Å; A286-P304 WeakPolarHBondContact O-CD 3.19Å
287	F	97.3	Very high	83.9	Confident	1 Å²	1	62.2 Å²	62.2	0%	0.004	37%	0.372	C	S	.	.	S	Bend	trans	-116.1	-33.5	-170.4	-56.1	-83.4	0	0	0	114.6	F262 F272 T285 R300 R303 P304 L306 V343	F262-F287 HydrophobicContact CD1-CD2 4.44Å; F262-F287 HydrophobicContact CD2-CB 3.76Å; F262-F287 HydrophobicContact CD2-CD2 4.02Å; F262-F287 HydrophobicContact CD2-CG 4.23Å; F262-F287 HydrophobicContact CE2-CB 3.57Å; F262-F287 HydrophobicContact CE2-CD2 4.1Å; F262-F287 AromaticContact CE2-CG 3.99Å; F262-F287 HydrophobicContact CE2-CG 3.99Å; F262-F287 HydrophobicContact CG-CD2 4.19Å; F262-F287 HydrophobicContact CZ-CB 4.37Å; F262-F287 HydrophobicContact CZ-CD2 4.32Å; F262-F287 HydrophobicContact CZ-CG 4.35Å; F272-F287 HydrophobicContact CD1-CD2 4.06Å; F272-F287 AromaticContact CD1-CE2 3.56Å; F272-F287 HydrophobicContact CD1-CE2 3.56Å; F272-F287 HydrophobicContact CE1-CD2 4.28Å; F272-F287 AromaticContact CE1-CE2 3.61Å; F272-F287 HydrophobicContact CE1-CE2 3.61Å; F272-F287 HydrophobicContact CE1-CZ 4.39Å; F272-F287 HydrophobicContact CG-CE2 4.13Å; F272-F287 HydrophobicContact CZ-CE2 4.22Å; T285-F287 PolarHBondContact O-N 3.36Å; T285-F287 VanDerWaalsContact O-N 3.11Å; T285-F287 PolarHBondContact OG1-N 2.82Å; T285-F287 VanDerWaalsContact OG1-N 3.16Å; F287-R300 PolarHBondContact O-N 3.43Å; F287-R303 HydrophobicContact CD1-CB 4.41Å; F287-R303 WeakPolarHBondContact O-CD 3.35Å; F287-P304 HydrophobicContact CD1-CG 4.22Å; F287-P304 WeakPolarHBondContact CD1-O 3.5Å; F287-P304 HydrophobicContact CE1-CG 3.71Å; F287-P304 WeakPolarHBondContact CE1-O 3.4Å; F287-P304 HydrophobicContact CZ-CG 4.15Å; F287-L306 HydrophobicContact CD1-CB 4.43Å; F287-L306 HydrophobicContact CE1-CB 3.76Å; F287-L306 HydrophobicContact CE1-CD1 4.38Å; F287-L306 HydrophobicContact CE1-CG 4.47Å; F287-L306 HydrophobicContact CZ-CB 4.22Å; F287-L306 HydrophobicContact CZ-CD1 3.97Å; F287-L306 HydrophobicContact CZ-CG 4.47Å; F287-V343 HydrophobicContact CE1-CB 4.39Å; F287-V343 HydrophobicContact CE1-CG2 4.43Å; F287-V343 HydrophobicContact CZ-CB 3.74Å; F287-V343 HydrophobicContact CZ-CG1 4.06Å; F287-V343 HydrophobicContact CZ-CG2 3.8Å
288	T	96.3	Very high	85.6	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	153.8	-168.9	51.2	0	0	0	0	111.5	H259 F262 T285 V297 T298 L299	H259-T288 PolarHBondContact ND1-OG1 3.05Å; F262-T288 HydrophobicContact CD2-CG2 4.02Å; F262-T288 HydrophobicContact CE2-CG2 4.06Å; T285-T288 PolarHBondContact N-O 3.09Å; T285-T288 PolarHBondContact OG1-N 3.1Å; T285-T288 PolarHBondContact OG1-O 2.99Å; T285-T288 PolarHBondContact OG1-OG1 3.47Å; T288-V297 HydrophobicContact CG2-CG1 4.3Å; T288-T298 VanDerWaalsContact CA-O 3.29Å; T288-T298 WeakPolarHBondContact CA-O 3.36Å; T288-L299 HydrophobicContact CG2-CD2 3.83Å
289	V	95.1	Very high	87.1	Confident	28 Å²	28	61.3 Å²	61.3	17%	0.17	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	139.1	175	62.6	0	0	0	0	109.8	T282 A284 V297 T298 R300	T282-V289 HydrophobicContact CG2-CG2 3.39Å; A284-V289 HydrophobicContact CB-CB 4.46Å; A284-V289 HydrophobicContact CB-CG2 4.21Å; V289-V297 WeakPolarHBondContact O-CA 3.45Å; V289-T298 WeakPolarHBondContact CG1-OG1 3.36Å; V289-T298 PolarHBondContact N-O 3.26Å; V289-T298 PolarHBondContact O-N 2.78Å; V289-R300 HydrophobicContact CB-CG 4.36Å; V289-R300 HydrophobicContact CG1-CG 4.37Å
290	R	93.7	Very high	88.6	Confident	65 Å²	65	59.5 Å²	59.5	25%	0.245	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	123.9	169.3	-173.5	-179.8	-63.4	-77.4	-0.1	109.3	E283 P292 G295 V297	E283-R290 HydrophobicContact CB-CB 4.22Å; E283-R290 PolarHBondContact O-N 2.9Å; E283-R290 IonicContact OE1-CZ 3.27Å; E283-R290 IonicContact OE1-NE 2.76Å; E283-R290 PolarHBondContact OE1-NE 3.08Å; E283-R290 IonicContact OE1-NH2 3.82Å; E283-R290 PolarHBondContact OE1-NH2 3.17Å; R290-P292 WeakPolarHBondContact O-CD 3.22Å; R290-G295 WeakPolarHBondContact CG-O 3.38Å; R290-G295 PolarHBondContact NH1-O 3.07Å; R290-V297 HydrophobicContact CB-CG2 4.49Å
291	N	88.8	Confident	90	Very high	52 Å²	52	54.7 Å²	54.7	28%	0.278	33%	0.333	S	S	.	.			trans	-69.3	124.4	177	-68.6	-23.9	0	0	0	110.2	G293 D294 G295 G296	N291-G293 VanDerWaalsContact C-N 3.26Å; N291-G293 PolarHBondContact O-N 3.31Å; N291-D294 WeakPolarHBondContact CB-OD1 3.15Å; N291-G295 VanDerWaalsContact O-CA 3.26Å; N291-G295 WeakPolarHBondContact O-CA 3.46Å; N291-G295 PolarHBondContact O-N 2.64Å; N291-G296 WeakPolarHBondContact CB-O 3.18Å; N291-G296 PolarHBondContact N-O 3.49Å
292	P	81	Confident	91.3	Very high	111 Å²	111	50.8 Å²	50.8	72%	0.721	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-25.2	-178.7	-24.2	34.2	0	0	0	114.6	R290	R290-P292 WeakPolarHBondContact O-CD 3.22Å
293	G	82.2	Confident	92.1	Very high	83 Å²	83	49.9 Å²	49.9	86%	0.856	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-46.9	-174	0	0	0	0	0	114.7	N291	N291-G293 VanDerWaalsContact C-N 3.26Å; N291-G293 PolarHBondContact O-N 3.31Å
294	D	86.1	Confident	92.5	Very high	124 Å²	124	46.5 Å²	46.5	66%	0.663	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	-5.6	-175.9	64.8	3.7	0	0	0	113.5	N291 G296	N291-D294 WeakPolarHBondContact CB-OD1 3.15Å; D294-G296 PolarHBondContact O-N 2.96Å; D294-G296 PolarHBondContact OD1-N 2.61Å
295	G	86.8	Confident	92.7	Very high	32 Å²	32	45.8 Å²	45.8	33%	0.33	29%	0.29	S	S	.	.			trans	72.9	1.6	-176.5	0	0	0	0	0	114.5	R290 N291	R290-G295 WeakPolarHBondContact CG-O 3.38Å; R290-G295 PolarHBondContact NH1-O 3.07Å; N291-G295 VanDerWaalsContact O-CA 3.26Å; N291-G295 WeakPolarHBondContact O-CA 3.46Å; N291-G295 PolarHBondContact O-N 2.64Å
296	G	93.5	Very high	92.8	Very high	25 Å²	25	45.9 Å²	45.9	26%	0.258	29%	0.29	S	S	.	.			trans	-70.6	143.5	-178.2	0	0	0	0	0	112.4	N291 D294	N291-G296 WeakPolarHBondContact CB-O 3.18Å; N291-G296 PolarHBondContact N-O 3.49Å; D294-G296 PolarHBondContact O-N 2.96Å; D294-G296 PolarHBondContact OD1-N 2.61Å
297	V	96.4	Very high	93	Very high	14 Å²	14	45.5 Å²	45.5	9%	0.085	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	132.1	178.3	174.2	0	0	0	0	110.3	L255 D256 H259 T288 V289 R290	L255-V297 HydrophobicContact CB-CG1 4.26Å; D256-V297 VanDerWaalsContact OD1-CG2 3.24Å; D256-V297 WeakPolarHBondContact OD1-CG2 3.43Å; H259-V297 HydrophobicContact CB-CB 4.47Å; H259-V297 HydrophobicContact CB-CG1 3.58Å; H259-V297 HydrophobicContact CB-CG2 4.07Å; T288-V297 HydrophobicContact CG2-CG1 4.3Å; V289-V297 WeakPolarHBondContact O-CA 3.45Å; R290-V297 HydrophobicContact CB-CG2 4.49Å
298	T	95.8	Very high	93	Very high	58 Å²	58	45.4 Å²	45.4	36%	0.356	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	155	174.2	61.2	0	0	0	0	111.7	T288 V289	T288-T298 VanDerWaalsContact CA-O 3.29Å; T288-T298 WeakPolarHBondContact CA-O 3.36Å; V289-T298 WeakPolarHBondContact CG1-OG1 3.36Å; V289-T298 PolarHBondContact N-O 3.26Å; V289-T298 PolarHBondContact O-N 2.78Å
299	L	95.5	Very high	93.1	Very high	74 Å²	74	45.5 Å²	45.5	39%	0.387	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	137.7	169.4	-68.9	169.4	0	0	0	109.2	L255 T288	L255-L299 HydrophobicContact CD2-CD1 4.24Å; L255-L299 HydrophobicContact CD2-CD2 3.91Å; L255-L299 HydrophobicContact CD2-CG 3.76Å; T288-L299 HydrophobicContact CG2-CD2 3.83Å
300	R	93.6	Very high	93	Very high	33 Å²	33	44.5 Å²	44.5	13%	0.125	28%	0.28	C	S	.	.			trans	-71.4	143.6	173.7	-55.4	171.9	57.9	109.1	-1.9	110.4	D278 T285 F287 V289 D302 R303	D278-R300 IonicContact OD1-NH1 3.6Å; D278-R300 PolarHBondContact OD1-NH1 2.98Å; D278-R300 IonicContact OD1-NH2 3.89Å; D278-R300 IonicContact OD2-CZ 2.8Å; D278-R300 IonicContact OD2-NH1 2.82Å; D278-R300 PolarHBondContact OD2-NH1 3.23Å; T285-R300 VanDerWaalsContact O-CD 3.32Å; T285-R300 WeakPolarHBondContact O-CD 3.29Å; F287-R300 PolarHBondContact O-N 3.43Å; V289-R300 HydrophobicContact CB-CG 4.36Å; V289-R300 HydrophobicContact CG1-CG 4.37Å; R300-D302 VanDerWaalsContact C-N 3.32Å; R300-D302 VanDerWaalsContact CB-OD1 3.29Å; R300-D302 WeakPolarHBondContact CB-OD1 3.4Å; R300-D302 IonicContact CZ-OD1 3.91Å; R300-D302 IonicContact CZ-OD2 3.37Å; R300-D302 IonicContact NE-OD1 3.36Å; R300-D302 PolarHBondContact NE-OD1 3.31Å; R300-D302 IonicContact NE-OD2 2.82Å; R300-D302 IonicContact NH2-OD1 3.73Å; R300-D302 PolarHBondContact NH2-OD1 2.9Å; R300-D302 IonicContact NH2-OD2 2.88Å; R300-D302 PolarHBondContact NH2-OD2 3.35Å; R300-R303 HydrophobicContact CB-CB 4.19Å; R300-R303 WeakPolarHBondContact O-CD 3.26Å; R300-R303 VanDerWaalsContact O-CG 3.27Å; R300-R303 WeakPolarHBondContact O-CG 3.24Å; R300-R303 PolarHBondContact O-N 3.26Å
301	S	90.3	Very high	92.9	Very high	106 Å²	106	41.7 Å²	41.7	74%	0.741	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-26.7	177.6	53.2	0	0	0	0	113.1
302	D	91.4	Very high	92.8	Very high	101 Å²	101	41.8 Å²	41.8	54%	0.54	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	7.2	179.6	70	-26.9	0	0	0	113.6	R300	R300-D302 VanDerWaalsContact C-N 3.32Å; R300-D302 VanDerWaalsContact CB-OD1 3.29Å; R300-D302 WeakPolarHBondContact CB-OD1 3.4Å; R300-D302 IonicContact CZ-OD1 3.91Å; R300-D302 IonicContact CZ-OD2 3.37Å; R300-D302 IonicContact NE-OD1 3.36Å; R300-D302 PolarHBondContact NE-OD1 3.31Å; R300-D302 IonicContact NE-OD2 2.82Å; R300-D302 IonicContact NH2-OD1 3.73Å; R300-D302 PolarHBondContact NH2-OD1 2.9Å; R300-D302 IonicContact NH2-OD2 2.88Å; R300-D302 PolarHBondContact NH2-OD2 3.35Å
303	R	95.7	Very high	93.3	Very high	22 Å²	22	36.5 Å²	36.5	8%	0.083	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-60.1	146.4	-176.3	69.7	-175.2	-172	90.3	-3.5	112	F287 R300 D388 F454	F287-R303 HydrophobicContact CD1-CB 4.41Å; F287-R303 WeakPolarHBondContact O-CD 3.35Å; R300-R303 HydrophobicContact CB-CB 4.19Å; R300-R303 WeakPolarHBondContact O-CD 3.26Å; R300-R303 VanDerWaalsContact O-CG 3.27Å; R300-R303 WeakPolarHBondContact O-CG 3.24Å; R300-R303 PolarHBondContact O-N 3.26Å; R303-D388 IonicContact CZ-OD1 3.51Å; R303-D388 IonicContact CZ-OD2 3.45Å; R303-D388 IonicContact NH1-OD1 2.91Å; R303-D388 PolarHBondContact NH1-OD1 3.28Å; R303-D388 IonicContact NH1-OD2 3.75Å; R303-D388 PolarHBondContact NH1-OD2 3.46Å; R303-D388 IonicContact NH2-OD1 3.31Å; R303-D388 PolarHBondContact NH2-OD1 2.98Å; R303-D388 IonicContact NH2-OD2 3.47Å; R303-F454 HydrophobicContact CG-CE1 4.27Å; R303-F454 HydrophobicContact CG-CZ 4.26Å; R303-F454 VanDerWaalsContact CZ-CZ 3.4Å
304	P	97.4	Very high	93.6	Very high	19 Å²	19	34.5 Å²	34.5	12%	0.123	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-65.6	155.4	164.7	28.7	-30.3	0	0	0	110.5	A286 F287 S341 V343	A286-P304 HydrophobicContact CB-CG 4.5Å; A286-P304 VanDerWaalsContact O-CD 3.25Å; A286-P304 WeakPolarHBondContact O-CD 3.19Å; F287-P304 HydrophobicContact CD1-CG 4.22Å; F287-P304 WeakPolarHBondContact CD1-O 3.5Å; F287-P304 HydrophobicContact CE1-CG 3.71Å; F287-P304 WeakPolarHBondContact CE1-O 3.4Å; F287-P304 HydrophobicContact CZ-CG 4.15Å; P304-S341 CarbonylContact C-O 3.54Å; P304-S341 WeakPolarHBondContact CA-O 3.26Å; P304-S341 WeakPolarHBondContact CB-O 3.34Å; P304-V343 HydrophobicContact CB-CG2 4.07Å; P304-V343 HydrophobicContact CG-CG2 3.73Å
305	A	98.2	Very high	93.5	Very high	2 Å²	2	35.6 Å²	35.6	2%	0.017	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	138.1	167.4	0	0	0	0	0	110.2	P340 S341 L342 V343 D388 L451 F454	A305-P340 HydrophobicContact CB-CG 4.29Å; A305-S341 PolarHBondContact N-O 3.44Å; A305-L342 HydrophobicContact CB-CD2 3.67Å; A305-V343 PolarHBondContact O-N 3.25Å; A305-D388 WeakPolarHBondContact CA-OD2 3.43Å; A305-L451 HydrophobicContact CB-CD2 3.74Å; A305-F454 HydrophobicContact CB-CD1 4.19Å; A305-F454 HydrophobicContact CB-CD2 4.09Å; A305-F454 HydrophobicContact CB-CE1 3.88Å; A305-F454 HydrophobicContact CB-CE2 3.79Å; A305-F454 HydrophobicContact CB-CG 4.27Å; A305-F454 HydrophobicContact CB-CZ 3.65Å
306	L	98.7	Very high	93.2	Very high	1 Å²	1	36 Å²	36	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	104.8	-178.8	-179.3	55.6	0	0	0	109.8	F262 F272 F287 V343 V345 L383 A387 D388 L389	F262-L306 HydrophobicContact CE1-CD2 3.85Å; F262-L306 HydrophobicContact CZ-CD2 3.88Å; F272-L306 HydrophobicContact CZ-CD1 4.15Å; F287-L306 HydrophobicContact CD1-CB 4.43Å; F287-L306 HydrophobicContact CE1-CB 3.76Å; F287-L306 HydrophobicContact CE1-CD1 4.38Å; F287-L306 HydrophobicContact CE1-CG 4.47Å; F287-L306 HydrophobicContact CZ-CB 4.22Å; F287-L306 HydrophobicContact CZ-CD1 3.97Å; F287-L306 HydrophobicContact CZ-CG 4.47Å; L306-V343 HydrophobicContact CD1-CB 4.41Å; L306-V343 HydrophobicContact CD1-CG1 4.2Å; L306-V345 HydrophobicContact CD1-CG2 3.79Å; L306-L383 HydrophobicContact CD2-CD1 4.11Å; L306-A387 HydrophobicContact CD2-CB 4.32Å; L306-A387 HydrophobicContact CG-CB 4.13Å; L306-D388 PolarHBondContact N-OD2 3.47Å; L306-D388 PolarHBondContact O-N 2.89Å; L306-L389 PolarHBondContact O-N 3.08Å
307	L	98.6	Very high	92.9	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.021	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	137.4	174.1	-168.1	68.4	0	0	0	109.2	L322 L326 V343 C344 V345 L389 V391 L447	L307-L322 HydrophobicContact CD2-CD1 4.19Å; L307-L326 HydrophobicContact CD2-CD2 4.02Å; L307-V343 PolarHBondContact N-O 2.81Å; L307-C344 HydrophobicContact CB-CB 4.27Å; L307-C344 HydrophobicContact CD2-CB 4.31Å; L307-C344 CarbonylContact O-C 3.59Å; L307-C344 WeakPolarHBondContact O-CA 3.43Å; L307-V345 PolarHBondContact O-N 3Å; L307-L389 WeakPolarHBondContact CA-O 3.5Å; L307-L389 HydrophobicContact CD1-CB 3.75Å; L307-L389 HydrophobicContact CD1-CD2 3.74Å; L307-L389 HydrophobicContact CD1-CG 3.73Å; L307-L389 WeakPolarHBondContact CD1-O 3.05Å; L307-V391 HydrophobicContact CD1-CG2 3.58Å; L307-V391 HydrophobicContact CD2-CG2 4.04Å; L307-V391 HydrophobicContact CG-CG2 3.97Å; L307-L447 HydrophobicContact CD1-CD2 4.15Å; L307-L447 HydrophobicContact CD2-CD2 4.39Å
308	I	98.4	Very high	92.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	135.8	175.4	-173.1	152.1	0	0	0	112.4	V345 L383 L384 A387 L389 G390 V391 L414	I308-V345 CarbonylContact C-O 3.58Å; I308-V345 WeakPolarHBondContact CA-O 3.22Å; I308-V345 HydrophobicContact CD1-CB 4.5Å; I308-V345 HydrophobicContact CG1-CB 4.41Å; I308-L383 HydrophobicContact CD1-CB 4.36Å; I308-L383 HydrophobicContact CD1-CD2 3.53Å; I308-L383 HydrophobicContact CD1-CG 3.65Å; I308-L384 HydrophobicContact CD1-CD2 3.84Å; I308-L384 HydrophobicContact CG1-CD2 4.19Å; I308-L384 HydrophobicContact CG2-CD2 4.03Å; I308-A387 HydrophobicContact CB-CB 4.17Å; I308-A387 HydrophobicContact CG2-CB 3.5Å; I308-L389 PolarHBondContact N-O 3.04Å; I308-G390 CarbonylContact O-C 3.51Å; I308-G390 VanDerWaalsContact O-CA 3.29Å; I308-G390 WeakPolarHBondContact O-CA 3.32Å; I308-V391 PolarHBondContact O-N 3.42Å; I308-L414 HydrophobicContact CG2-CD2 3.58Å
309	S	97.4	Very high	92.8	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.007	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	129	166.3	-167.7	0	0	0	0	109.6	F319 V345 I346 T347 V391	S309-F319 WeakPolarHBondContact OG-CZ 3.2Å; S309-V345 PolarHBondContact N-O 3.17Å; S309-I346 WeakPolarHBondContact O-CA 3.08Å; S309-T347 PolarHBondContact O-N 3.17Å; S309-V391 WeakPolarHBondContact CA-O 3.25Å; S309-V391 WeakPolarHBondContact CB-O 3.36Å; S309-V391 PolarHBondContact OG-O 2.64Å
310	S	93.2	Very high	92.8	Very high	7 Å²	7	33 Å²	33	5%	0.049	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	138.2	175.5	-45.8	0	0	0	0	108.2	T347 Y380 K405	S310-T347 WeakPolarHBondContact CA-O 3.31Å; S310-Y380 WeakPolarHBondContact CB-OH 3.46Å; S310-Y380 VanDerWaalsContact OG-CE2 3.31Å; S310-Y380 WeakPolarHBondContact OG-CE2 3.46Å; S310-Y380 PolarHBondContact OG-OH 3.41Å; S310-K405 WeakPolarHBondContact O-CD 3.34Å; S310-K405 WeakPolarHBondContact O-CE 3.41Å
311	T	90.9	Very high	93	Very high	6 Å²	6	32.4 Å²	32.4	4%	0.037	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	148.7	-170.5	173	0	0	0	0	113	W313 E317 F319 I346 T347 G348	T311-W313 VanDerWaalsContact C-N 3.34Å; T311-W313 HydrophobicContact CG2-CD2 3.75Å; T311-W313 VanDerWaalsContact CG2-CE2 3.47Å; T311-W313 HydrophobicContact CG2-CE3 4.29Å; T311-W313 HydrophobicContact CG2-CG 4.06Å; T311-W313 HydrophobicContact CG2-CH2 4.44Å; T311-W313 HydrophobicContact CG2-CZ2 3.89Å; T311-W313 WeakPolarHBondContact OG1-CA 3.17Å; T311-W313 PolarHBondContact OG1-N 3.09Å; T311-E317 WeakPolarHBondContact CA-OE2 3.26Å; T311-E317 WeakPolarHBondContact CB-OE2 3.49Å; T311-E317 PolarHBondContact OG1-OE2 3.45Å; T311-F319 VanDerWaalsContact CB-CZ 3.45Å; T311-F319 HydrophobicContact CG2-CE2 3.84Å; T311-F319 HydrophobicContact CG2-CZ 3.63Å; T311-F319 WeakPolarHBondContact OG1-CE2 3.24Å; T311-I346 HydrophobicContact CG2-CG2 3.62Å; T311-T347 WeakPolarHBondContact CG2-O 3.32Å; T311-T347 PolarHBondContact N-O 3.06Å; T311-G348 VanDerWaalsContact O-CA 3.32Å; T311-G348 WeakPolarHBondContact O-CA 3.26Å
312	S	87.9	Confident	93.4	Very high	54 Å²	54	27.4 Å²	27.4	38%	0.378	15%	0.151	S	C	.	.			trans	-91.9	2.6	168.7	-57.9	0	0	0	0	112.1	T314 E317 K349 G350 K405	S312-T314 PolarHBondContact O-N 2.86Å; S312-E317 PolarHBondContact N-OE2 3.49Å; S312-K349 CarbonylContact C-O 3.55Å; S312-K349 VanDerWaalsContact O-O 3.1Å; S312-G350 VanDerWaalsContact O-CA 3.23Å; S312-G350 WeakPolarHBondContact O-CA 3.43Å; S312-K405 PolarHBondContact OG-NZ 3.42Å
313	W	91.6	Very high	93.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.126	C	C	.	.			trans	47.7	43.7	-176.3	-58.6	95.8	0	0	0	113.2	T311 E317 F319 I346 G348 P351 Q352 K353 Y356 T372	T311-W313 VanDerWaalsContact C-N 3.34Å; T311-W313 HydrophobicContact CG2-CD2 3.75Å; T311-W313 VanDerWaalsContact CG2-CE2 3.47Å; T311-W313 HydrophobicContact CG2-CE3 4.29Å; T311-W313 HydrophobicContact CG2-CG 4.06Å; T311-W313 HydrophobicContact CG2-CH2 4.44Å; T311-W313 HydrophobicContact CG2-CZ2 3.89Å; T311-W313 WeakPolarHBondContact OG1-CA 3.17Å; T311-W313 PolarHBondContact OG1-N 3.09Å; W313-E317 PolarHBondContact N-OE2 3.06Å; W313-F319 HydrophobicContact CE3-CD2 4.49Å; W313-F319 HydrophobicContact CZ3-CD2 4.38Å; W313-F319 HydrophobicContact CZ3-CG 4.26Å; W313-I346 HydrophobicContact CH2-CB 4.2Å; W313-I346 HydrophobicContact CH2-CG2 3.42Å; W313-I346 VanDerWaalsContact CH2-CG2 3.42Å; W313-I346 HydrophobicContact CZ2-CB 4.25Å; W313-I346 HydrophobicContact CZ2-CG2 3.46Å; W313-I346 VanDerWaalsContact CZ2-CG2 3.46Å; W313-I346 HydrophobicContact CZ3-CG2 4.26Å; W313-G348 PolarHBondContact NE1-O 3.2Å; W313-P351 WeakPolarHBondContact O-CD 3.42Å; W313-P351 WeakPolarHBondContact O-CG 3.46Å; W313-Q352 HydrophobicContact CB-CB 4.41Å; W313-Q352 WeakPolarHBondContact O-CB 3.38Å; W313-Q352 PolarHBondContact O-N 2.83Å; W313-K353 HydrophobicContact CB-CB 4.22Å; W313-K353 HydrophobicContact CD2-CB 3.78Å; W313-K353 HydrophobicContact CD2-CG 4.08Å; W313-K353 HydrophobicContact CE3-CB 4.46Å; W313-K353 HydrophobicContact CG-CB 3.69Å; W313-K353 HydrophobicContact CG-CG 4.32Å; W313-K353 HydrophobicContact CZ2-CG 4.02Å; W313-Y356 AromaticContact CE3-CD2 3.55Å; W313-Y356 HydrophobicContact CE3-CD2 3.55Å; W313-Y356 HydrophobicContact CE3-CE2 4.35Å; W313-Y356 HydrophobicContact CE3-CG 4.18Å; W313-Y356 AromaticContact CZ3-CD2 3.57Å; W313-Y356 HydrophobicContact CZ3-CD2 3.57Å; W313-Y356 AromaticContact CZ3-CG 3.71Å; W313-Y356 HydrophobicContact CZ3-CG 3.71Å; W313-T372 HydrophobicContact CH2-CG2 4.36Å; W313-T372 HydrophobicContact CZ2-CG2 4.31Å
314	T	88.7	Confident	93.9	Very high	42 Å²	42	25.4 Å²	25.4	26%	0.258	14%	0.142	S	C	.	.			trans	-106.1	164.3	179.5	44.3	0	0	0	0	110.8	S312 D316 E317	S312-T314 PolarHBondContact O-N 2.86Å; T314-D316 WeakPolarHBondContact CB-OD1 3.4Å; T314-D316 PolarHBondContact O-N 3.31Å; T314-D316 PolarHBondContact OG1-OD1 3.31Å; T314-E317 PolarHBondContact O-N 2.88Å
315	E	82.6	Confident	94	Very high	147 Å²	147	24.5 Å²	24.5	69%	0.687	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-20.7	-173.7	-71	171.5	-178.2	0	0	114.3	E317 Q352	E315-E317 PolarHBondContact O-N 3.41Å; E315-Q352 VanDerWaalsContact CG-NE2 3.34Å
316	D	81.3	Confident	94	Very high	39 Å²	39	24.4 Å²	24.4	21%	0.209	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-9.4	174.7	58.6	-60.8	0	0	0	113.8	T314 H394	T314-D316 WeakPolarHBondContact CB-OD1 3.4Å; T314-D316 PolarHBondContact O-N 3.31Å; T314-D316 PolarHBondContact OG1-OD1 3.31Å; D316-H394 IonicContact OD2-CE1 2.86Å; D316-H394 PolarHBondContact OD2-CE1 2.99Å; D316-H394 VanDerWaalsContact OD2-CE1 3.28Å; D316-H394 IonicContact OD2-ND1 3.77Å; D316-H394 PolarHBondContact OD2-ND1 2.82Å; D316-H394 VanDerWaalsContact OD2-ND1 3.09Å
317	E	87.9	Confident	94	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.155	C	C	.	.	S	Bend	trans	-115.6	86.7	177.6	-66.4	178.1	140.1	0	0	109.9	T311 S312 W313 T314 E315 F319 H394 K405	T311-E317 WeakPolarHBondContact CA-OE2 3.26Å; T311-E317 WeakPolarHBondContact CB-OE2 3.49Å; T311-E317 PolarHBondContact OG1-OE2 3.45Å; S312-E317 PolarHBondContact N-OE2 3.49Å; W313-E317 PolarHBondContact N-OE2 3.06Å; T314-E317 PolarHBondContact O-N 2.88Å; E315-E317 PolarHBondContact O-N 3.41Å; E317-F319 HydrophobicContact CB-CD2 4.22Å; E317-F319 HydrophobicContact CB-CE2 4Å; E317-F319 WeakPolarHBondContact O-CD2 3.35Å; E317-F319 PolarHBondContact O-N 3.37Å; E317-F319 VanDerWaalsContact O-N 3.08Å; E317-H394 HydrophobicContact CG-CB 4.22Å; E317-K405 IonicContact OE1-NZ 3.93Å; E317-K405 PolarHBondContact OE1-NZ 3.12Å; E317-K405 IonicContact OE2-NZ 2.97Å
318	D	93.4	Very high	93.9	Very high	70 Å²	70	31.7 Å²	31.7	37%	0.374	17%	0.169	S	C	.	.			trans	-76.3	96.6	178.2	-174.4	-0.2	0	0	0	111.3	S320 I321	D318-S320 VanDerWaalsContact C-N 3.26Å; D318-S320 PolarHBondContact O-N 3.5Å; D318-S320 VanDerWaalsContact OD1-CB 3.27Å; D318-S320 WeakPolarHBondContact OD1-CB 3.04Å; D318-S320 PolarHBondContact OD1-N 3.48Å; D318-S320 PolarHBondContact OD1-OG 3.13Å; D318-S320 PolarHBondContact OD2-OG 2.86Å; D318-I321 HydrophobicContact CB-CD1 4.24Å; D318-I321 HydrophobicContact CB-CG1 4.5Å; D318-I321 PolarHBondContact O-N 2.98Å
319	F	95.7	Very high	94	Very high	1 Å²	1	31.7 Å²	31.7	0%	0.004	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-11.3	-180	-91.6	-95.4	0	0	0	114	S309 T311 W313 E317 I321 L322 L323 I346 Y356 L393	S309-F319 WeakPolarHBondContact OG-CZ 3.2Å; T311-F319 VanDerWaalsContact CB-CZ 3.45Å; T311-F319 HydrophobicContact CG2-CE2 3.84Å; T311-F319 HydrophobicContact CG2-CZ 3.63Å; T311-F319 WeakPolarHBondContact OG1-CE2 3.24Å; W313-F319 HydrophobicContact CE3-CD2 4.49Å; W313-F319 HydrophobicContact CZ3-CD2 4.38Å; W313-F319 HydrophobicContact CZ3-CG 4.26Å; E317-F319 HydrophobicContact CB-CD2 4.22Å; E317-F319 HydrophobicContact CB-CE2 4Å; E317-F319 WeakPolarHBondContact O-CD2 3.35Å; E317-F319 PolarHBondContact O-N 3.37Å; E317-F319 VanDerWaalsContact O-N 3.08Å; F319-I321 PolarHBondContact O-N 3.36Å; F319-L322 HydrophobicContact CD1-CB 4.39Å; F319-L322 HydrophobicContact CD1-CD2 3.95Å; F319-L322 HydrophobicContact CE1-CD2 3.8Å; F319-L322 PolarHBondContact O-N 3.28Å; F319-L322 VanDerWaalsContact O-N 3.16Å; F319-L323 WeakPolarHBondContact O-CG 3.19Å; F319-L323 PolarHBondContact O-N 2.82Å; F319-I346 HydrophobicContact CD1-CD1 3.94Å; F319-I346 HydrophobicContact CD1-CG2 4.07Å; F319-I346 HydrophobicContact CE1-CB 4.37Å; F319-I346 HydrophobicContact CE1-CD1 3.97Å; F319-I346 HydrophobicContact CE1-CG1 4.13Å; F319-I346 HydrophobicContact CE1-CG2 3.34Å; F319-I346 HydrophobicContact CZ-CG2 3.75Å; F319-Y356 HydrophobicContact CB-CD1 3.58Å; F319-Y356 HydrophobicContact CB-CD2 4.18Å; F319-Y356 HydrophobicContact CB-CE1 3.37Å; F319-Y356 HydrophobicContact CB-CE2 3.96Å; F319-Y356 HydrophobicContact CB-CG 3.99Å; F319-Y356 PolarHBondContact N-OH 3.37Å; F319-Y356 VanDerWaalsContact N-OH 3.07Å; F319-L393 HydrophobicContact CB-CD1 4.37Å; F319-L393 HydrophobicContact CD1-CD1 3.78Å; F319-L393 HydrophobicContact CD2-CD1 3.85Å; F319-L393 HydrophobicContact CE1-CD1 3.86Å; F319-L393 HydrophobicContact CE2-CD1 3.91Å; F319-L393 HydrophobicContact CG-CD1 3.76Å; F319-L393 HydrophobicContact CZ-CD1 3.92Å
320	S	96.4	Very high	94	Very high	38 Å²	38	31.7 Å²	31.7	27%	0.266	17%	0.169	S	C	.	.	H	α-helix	trans	-57.2	-36	172.2	68.7	0	0	0	0	110.8	D318 L322 L323 D324	D318-S320 VanDerWaalsContact C-N 3.26Å; D318-S320 PolarHBondContact O-N 3.5Å; D318-S320 VanDerWaalsContact OD1-CB 3.27Å; D318-S320 WeakPolarHBondContact OD1-CB 3.04Å; D318-S320 PolarHBondContact OD1-N 3.48Å; D318-S320 PolarHBondContact OD1-OG 3.13Å; D318-S320 PolarHBondContact OD2-OG 2.86Å; S320-L322 PolarHBondContact O-N 2.97Å; S320-L323 PolarHBondContact O-N 3.04Å; S320-D324 WeakPolarHBondContact O-CB 3.13Å; S320-D324 PolarHBondContact O-N 2.74Å
321	I	98.1	Very high	94.2	Very high	20 Å²	20	33.1 Å²	33.1	10%	0.103	19%	0.185	C	C	.	.	H	α-helix	trans	-57.4	-47.5	176.9	-61.8	175.7	0	0	0	112	D318 F319 S325 L393 I419 F437 S440 L443	D318-I321 HydrophobicContact CB-CD1 4.24Å; D318-I321 HydrophobicContact CB-CG1 4.5Å; D318-I321 PolarHBondContact O-N 2.98Å; F319-I321 PolarHBondContact O-N 3.36Å; I321-S325 WeakPolarHBondContact O-CB 3.32Å; I321-S325 PolarHBondContact O-N 3.44Å; I321-S325 VanDerWaalsContact O-N 3.11Å; I321-S325 PolarHBondContact O-OG 3.44Å; I321-L393 HydrophobicContact CB-CD2 3.98Å; I321-L393 HydrophobicContact CG2-CD2 4.02Å; I321-I419 HydrophobicContact CD1-CD1 3.46Å; I321-I419 VanDerWaalsContact CD1-CD1 3.46Å; I321-F437 HydrophobicContact CG2-CD2 4.4Å; I321-F437 HydrophobicContact CG2-CE2 3.8Å; I321-S440 VanDerWaalsContact O-CB 3.3Å; I321-S440 WeakPolarHBondContact O-CB 3.48Å; I321-L443 HydrophobicContact CG2-CD2 4.46Å
322	L	98.4	Very high	94.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-68.1	-45.6	177.5	174	60.5	0	0	0	110.8	L307 F319 S320 D324 S325 L326 I346 V391 L393 L443	L307-L322 HydrophobicContact CD2-CD1 4.19Å; F319-L322 HydrophobicContact CD1-CB 4.39Å; F319-L322 HydrophobicContact CD1-CD2 3.95Å; F319-L322 HydrophobicContact CE1-CD2 3.8Å; F319-L322 PolarHBondContact O-N 3.28Å; F319-L322 VanDerWaalsContact O-N 3.16Å; S320-L322 PolarHBondContact O-N 2.97Å; L322-D324 PolarHBondContact O-N 2.92Å; L322-S325 PolarHBondContact O-N 3.17Å; L322-S325 PolarHBondContact O-OG 2.72Å; L322-L326 HydrophobicContact CD1-CD1 4.1Å; L322-L326 HydrophobicContact CD1-CD2 4.46Å; L322-L326 HydrophobicContact CD1-CG 4.04Å; L322-L326 HydrophobicContact CG-CD1 4.14Å; L322-L326 HydrophobicContact CG-CG 4.47Å; L322-L326 VanDerWaalsContact O-CG 3.31Å; L322-L326 WeakPolarHBondContact O-CG 3.29Å; L322-L326 PolarHBondContact O-N 2.97Å; L322-I346 HydrophobicContact CD2-CD1 4.08Å; L322-I346 HydrophobicContact CD2-CG1 4.3Å; L322-V391 HydrophobicContact CD1-CG1 4.27Å; L322-V391 HydrophobicContact CD1-CG2 4.3Å; L322-L393 HydrophobicContact CB-CD1 3.88Å; L322-L443 HydrophobicContact CD1-CD2 4.17Å
323	L	98.4	Very high	95	Very high	6 Å²	6	33.2 Å²	33.2	3%	0.031	18%	0.179	C	C	.	.	H	α-helix	trans	-61.5	-45.5	-178.5	-63	-175.7	0	0	0	112.1	F319 S320 S325 L326 Q327 Y356 L359 I360 L363 I370	F319-L323 WeakPolarHBondContact O-CG 3.19Å; F319-L323 PolarHBondContact O-N 2.82Å; S320-L323 PolarHBondContact O-N 3.04Å; L323-S325 VanDerWaalsContact C-N 3.34Å; L323-S325 PolarHBondContact O-N 3.47Å; L323-L326 PolarHBondContact O-N 2.92Å; L323-Q327 PolarHBondContact O-N 3.08Å; L323-Y356 HydrophobicContact CD1-CD1 4.16Å; L323-L359 HydrophobicContact CD1-CB 3.96Å; L323-I360 HydrophobicContact CD1-CG1 4.08Å; L323-I360 HydrophobicContact CD2-CD1 4.35Å; L323-I360 HydrophobicContact CD2-CG1 3.68Å; L323-L363 HydrophobicContact CB-CD1 4.25Å; L323-L363 HydrophobicContact CD2-CD1 4.08Å; L323-I370 HydrophobicContact CD2-CD1 3.87Å
324	D	98.6	Very high	95.2	Very high	75 Å²	75	40.4 Å²	40.4	40%	0.401	21%	0.206	S	C	.	.	H	α-helix	trans	-62.4	-42.3	176.8	-69	-10	0	0	0	110.9	S320 L322 L326 Q327 E328	S320-D324 WeakPolarHBondContact O-CB 3.13Å; S320-D324 PolarHBondContact O-N 2.74Å; L322-D324 PolarHBondContact O-N 2.92Å; D324-L326 VanDerWaalsContact C-N 3.28Å; D324-L326 PolarHBondContact O-N 3.05Å; D324-Q327 WeakPolarHBondContact O-CB 3.44Å; D324-Q327 PolarHBondContact O-N 3.27Å; D324-E328 PolarHBondContact O-N 3.06Å
325	S	98.8	Very high	95.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.3	-34	177.4	77.1	0	0	0	0	113	I321 L322 L323 E328 Y329 S440 L443	I321-S325 WeakPolarHBondContact O-CB 3.32Å; I321-S325 PolarHBondContact O-N 3.44Å; I321-S325 VanDerWaalsContact O-N 3.11Å; I321-S325 PolarHBondContact O-OG 3.44Å; L322-S325 PolarHBondContact O-N 3.17Å; L322-S325 PolarHBondContact O-OG 2.72Å; L323-S325 VanDerWaalsContact C-N 3.34Å; L323-S325 PolarHBondContact O-N 3.47Å; S325-E328 PolarHBondContact O-N 2.86Å; S325-Y329 WeakPolarHBondContact O-CB 3.27Å; S325-Y329 PolarHBondContact O-N 2.77Å; S325-S440 VanDerWaalsContact CB-O 3.25Å; S325-S440 WeakPolarHBondContact CB-O 3.18Å; S325-L443 WeakPolarHBondContact OG-CD2 3.3Å
326	L	98.6	Very high	96.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-72.5	-35.2	176.6	-70.9	176.2	0	0	0	111.7	L307 L322 L323 D324 Y329 E330 L342 C344 V368 I370 L447	L307-L326 HydrophobicContact CD2-CD2 4.02Å; L322-L326 HydrophobicContact CD1-CD1 4.1Å; L322-L326 HydrophobicContact CD1-CD2 4.46Å; L322-L326 HydrophobicContact CD1-CG 4.04Å; L322-L326 HydrophobicContact CG-CD1 4.14Å; L322-L326 HydrophobicContact CG-CG 4.47Å; L322-L326 VanDerWaalsContact O-CG 3.31Å; L322-L326 WeakPolarHBondContact O-CG 3.29Å; L322-L326 PolarHBondContact O-N 2.97Å; L323-L326 PolarHBondContact O-N 2.92Å; D324-L326 VanDerWaalsContact C-N 3.28Å; D324-L326 PolarHBondContact O-N 3.05Å; L326-Y329 PolarHBondContact O-N 2.92Å; L326-E330 PolarHBondContact O-N 3.41Å; L326-L342 HydrophobicContact CD2-CD1 4.02Å; L326-C344 HydrophobicContact CD1-CB 4.14Å; L326-V368 HydrophobicContact CB-CG1 4.23Å; L326-V368 HydrophobicContact CD1-CG1 4.28Å; L326-V368 HydrophobicContact CD2-CG1 4.07Å; L326-V368 HydrophobicContact CG-CG1 4.42Å; L326-I370 HydrophobicContact CD1-CD1 3.74Å; L326-I370 HydrophobicContact CD1-CG1 4.17Å; L326-L447 HydrophobicContact CD2-CD1 4.17Å
327	Q	98.4	Very high	97	Very high	90 Å²	90	37.1 Å²	37.1	42%	0.421	23%	0.227	S	C	.	.	H	α-helix	trans	-64.8	-41.4	171.6	-69.5	-179	-103.6	0	0	111.6	L323 D324 E330 G331 L363 L365	L323-Q327 PolarHBondContact O-N 3.08Å; D324-Q327 WeakPolarHBondContact O-CB 3.44Å; D324-Q327 PolarHBondContact O-N 3.27Å; Q327-E330 PolarHBondContact O-N 3.4Å; Q327-G331 PolarHBondContact O-N 3.42Å; Q327-L363 VanDerWaalsContact CD-CD2 3.47Å; Q327-L363 HydrophobicContact CG-CD2 3.98Å; Q327-L365 HydrophobicContact CG-CD2 4.2Å
328	E	98.3	Very high	97.3	Very high	68 Å²	68	42.6 Å²	42.6	32%	0.318	26%	0.263	S	S	.	.	H	α-helix	trans	-66.9	-40.2	175.8	-170	176	164.3	0	0	111.5	D324 S325 E330 G331 F332 A444	D324-E328 PolarHBondContact O-N 3.06Å; S325-E328 PolarHBondContact O-N 2.86Å; E328-E330 PolarHBondContact O-N 3.36Å; E328-G331 CarbonylContact O-C 3.55Å; E328-G331 VanDerWaalsContact O-CA 3.31Å; E328-G331 WeakPolarHBondContact O-CA 3.34Å; E328-G331 PolarHBondContact O-N 3.04Å; E328-F332 HydrophobicContact CG-CE1 4.08Å; E328-F332 HydrophobicContact CG-CE2 4.08Å; E328-F332 HydrophobicContact CG-CZ 3.6Å; E328-F332 PolarHBondContact O-N 3.39Å; E328-F332 WeakPolarHBondContact OE1-CZ 3.42Å; E328-A444 HydrophobicContact CB-CB 3.77Å; E328-A444 HydrophobicContact CG-CB 3.87Å
329	Y	98.6	Very high	97.5	Very high	0 Å²	0	40 Å²	40	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.9	-44.7	173.4	-178.4	-86.8	0	0	0	112.7	S325 L326 G331 F332 I333 L339 P340 L342 V368 L447 L451	S325-Y329 WeakPolarHBondContact O-CB 3.27Å; S325-Y329 PolarHBondContact O-N 2.77Å; L326-Y329 PolarHBondContact O-N 2.92Å; Y329-G331 VanDerWaalsContact C-N 3.26Å; Y329-G331 PolarHBondContact O-N 3.49Å; Y329-F332 WeakPolarHBondContact O-CB 3.44Å; Y329-F332 PolarHBondContact O-N 3.29Å; Y329-F332 VanDerWaalsContact O-N 3.16Å; Y329-I333 HydrophobicContact CD1-CD1 3.86Å; Y329-I333 HydrophobicContact CE1-CD1 3.44Å; Y329-I333 VanDerWaalsContact CE1-CD1 3.44Å; Y329-I333 HydrophobicContact CE1-CG1 4.27Å; Y329-I333 PolarHBondContact O-N 3.18Å; Y329-L339 HydrophobicContact CD2-CD1 4.25Å; Y329-L339 HydrophobicContact CE2-CB 4.42Å; Y329-L339 HydrophobicContact CE2-CD1 3.86Å; Y329-L339 HydrophobicContact CE2-CD2 4.22Å; Y329-L339 HydrophobicContact CE2-CG 4.4Å; Y329-P340 WeakPolarHBondContact OH-CD 3.47Å; Y329-P340 PolarHBondContact OH-O 3.48Å; Y329-L342 HydrophobicContact CD1-CD1 3.51Å; Y329-L342 HydrophobicContact CD1-CG 4.2Å; Y329-L342 HydrophobicContact CD2-CD1 4.4Å; Y329-L342 HydrophobicContact CE1-CD1 3.29Å; Y329-L342 HydrophobicContact CE1-CD2 4.42Å; Y329-L342 HydrophobicContact CE1-CG 3.53Å; Y329-L342 HydrophobicContact CE2-CD1 4.22Å; Y329-L342 HydrophobicContact CG-CD1 4.07Å; Y329-V368 HydrophobicContact CD1-CG2 3.8Å; Y329-V368 HydrophobicContact CE1-CG2 4.3Å; Y329-L447 HydrophobicContact CD2-CB 3.8Å; Y329-L447 HydrophobicContact CE2-CB 4.24Å; Y329-L451 HydrophobicContact CE2-CB 4.45Å; Y329-L451 HydrophobicContact CE2-CD1 3.75Å
330	E	97.7	Very high	97.5	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-59	-39.4	171.6	-177.6	86.2	-175.4	0	0	111.2	L326 Q327 E328 F332 I333 R334 L365 E366 R367 V368	L326-E330 PolarHBondContact O-N 3.41Å; Q327-E330 PolarHBondContact O-N 3.4Å; E328-E330 PolarHBondContact O-N 3.36Å; E330-F332 VanDerWaalsContact C-N 3.35Å; E330-F332 PolarHBondContact O-N 3.46Å; E330-I333 PolarHBondContact O-N 2.92Å; E330-R334 WeakPolarHBondContact O-CG 3.3Å; E330-R334 PolarHBondContact O-N 3.16Å; E330-R334 IonicContact OE1-CZ 3.09Å; E330-R334 IonicContact OE1-NE 3.37Å; E330-R334 IonicContact OE1-NH2 3.91Å; E330-R334 PolarHBondContact OE1-NH2 2.71Å; E330-L365 HydrophobicContact CB-CD2 3.76Å; E330-L365 HydrophobicContact CG-CD2 3.77Å; E330-E366 WeakPolarHBondContact OE1-CA 3.49Å; E330-E366 WeakPolarHBondContact OE1-CB 3.46Å; E330-E366 PolarHBondContact OE1-N 3.27Å; E330-R367 PolarHBondContact OE1-N 3.46Å; E330-R367 VanDerWaalsContact OE1-N 3.08Å; E330-R367 WeakPolarHBondContact OE2-CA 3.29Å; E330-R367 WeakPolarHBondContact OE2-CB 3.33Å; E330-R367 PolarHBondContact OE2-N 2.88Å; E330-V368 HydrophobicContact CB-CG2 4.4Å; E330-V368 WeakPolarHBondContact OE2-CG2 3.49Å; E330-V368 PolarHBondContact OE2-N 3.03Å
331	G	97.9	Very high	97.6	Very high	38 Å²	38	40.7 Å²	40.7	39%	0.392	25%	0.253	S	S	.	.	H	α-helix	trans	-58	-41.6	173.1	0	0	0	0	0	113.2	Q327 E328 Y329 I333 R334 G335	Q327-G331 PolarHBondContact O-N 3.42Å; E328-G331 CarbonylContact O-C 3.55Å; E328-G331 VanDerWaalsContact O-CA 3.31Å; E328-G331 WeakPolarHBondContact O-CA 3.34Å; E328-G331 PolarHBondContact O-N 3.04Å; Y329-G331 VanDerWaalsContact C-N 3.26Å; Y329-G331 PolarHBondContact O-N 3.49Å; G331-I333 PolarHBondContact O-N 3.26Å; G331-R334 PolarHBondContact O-N 3.36Å; G331-G335 PolarHBondContact O-N 3.46Å
332	F	98.3	Very high	97.6	Very high	35 Å²	35	39.8 Å²	39.8	15%	0.154	25%	0.249	C	C	.	.	H	α-helix	trans	-63.1	-40.7	174.5	-58.4	-39.3	0	0	0	112.4	E328 Y329 E330 G335 G336 A337 L339 A444 K448	E328-F332 HydrophobicContact CG-CE1 4.08Å; E328-F332 HydrophobicContact CG-CE2 4.08Å; E328-F332 HydrophobicContact CG-CZ 3.6Å; E328-F332 PolarHBondContact O-N 3.39Å; E328-F332 WeakPolarHBondContact OE1-CZ 3.42Å; Y329-F332 WeakPolarHBondContact O-CB 3.44Å; Y329-F332 PolarHBondContact O-N 3.29Å; Y329-F332 VanDerWaalsContact O-N 3.16Å; E330-F332 VanDerWaalsContact C-N 3.35Å; E330-F332 PolarHBondContact O-N 3.46Å; F332-G335 CarbonylContact O-C 3.53Å; F332-G335 PolarHBondContact O-N 2.96Å; F332-G336 PolarHBondContact O-N 3.03Å; F332-A337 HydrophobicContact CB-CB 4.09Å; F332-A337 WeakPolarHBondContact O-CB 3.33Å; F332-A337 PolarHBondContact O-N 3.2Å; F332-L339 HydrophobicContact CB-CD1 3.7Å; F332-L339 HydrophobicContact CD2-CD1 4.49Å; F332-A444 HydrophobicContact CE2-CB 4.12Å; F332-A444 HydrophobicContact CZ-CB 4.49Å; F332-K448 HydrophobicContact CB-CD 4.49Å; F332-K448 HydrophobicContact CD1-CD 4.33Å; F332-K448 HydrophobicContact CD2-CB 3.84Å; F332-K448 HydrophobicContact CD2-CD 3.68Å; F332-K448 HydrophobicContact CD2-CG 4.15Å; F332-K448 HydrophobicContact CE2-CB 3.99Å; F332-K448 HydrophobicContact CE2-CD 3.91Å; F332-K448 HydrophobicContact CG-CD 3.92Å; F332-K448 HydrophobicContact CZ-CD 4.35Å
333	I	97.2	Very high	97.6	Very high	26 Å²	26	39.9 Å²	39.9	13%	0.133	25%	0.249	C	C	.	.	H	α-helix	trans	-62.9	-47.5	175.9	-65.7	163.5	0	0	0	110.4	Y329 E330 G331 G335 G336 L339 R367	Y329-I333 HydrophobicContact CD1-CD1 3.86Å; Y329-I333 HydrophobicContact CE1-CD1 3.44Å; Y329-I333 VanDerWaalsContact CE1-CD1 3.44Å; Y329-I333 HydrophobicContact CE1-CG1 4.27Å; Y329-I333 PolarHBondContact O-N 3.18Å; E330-I333 PolarHBondContact O-N 2.92Å; G331-I333 PolarHBondContact O-N 3.26Å; I333-G335 PolarHBondContact O-N 3.22Å; I333-G336 PolarHBondContact O-N 2.56Å; I333-L339 HydrophobicContact CD1-CB 4.34Å; I333-L339 HydrophobicContact CG1-CB 3.72Å; I333-L339 HydrophobicContact CG1-CD1 4.19Å; I333-R367 HydrophobicContact CD1-CB 3.79Å; I333-R367 HydrophobicContact CD1-CG 4.46Å; I333-R367 HydrophobicContact CG2-CB 4.48Å; I333-R367 HydrophobicContact CG2-CG 3.97Å
334	R	96.7	Very high	97.6	Very high	151 Å²	151	39.6 Å²	39.6	57%	0.57	25%	0.248	S	C	*	.	H	α-helix	trans	-61.7	-31	176.7	-70	178.1	-175.7	167.6	4.5	112.3	E330 G331 G336 H364	E330-R334 WeakPolarHBondContact O-CG 3.3Å; E330-R334 PolarHBondContact O-N 3.16Å; E330-R334 IonicContact OE1-CZ 3.09Å; E330-R334 IonicContact OE1-NE 3.37Å; E330-R334 IonicContact OE1-NH2 3.91Å; E330-R334 PolarHBondContact OE1-NH2 2.71Å; G331-R334 PolarHBondContact O-N 3.36Å; R334-G336 PolarHBondContact O-N 3.41Å; R334-H364 PolarHBondContact NH2-O 2.62Å; R334-H364 VanDerWaalsContact NH2-O 3.15Å
335	G	96.5	Very high	97.6	Very high	70 Å²	70	36 Å²	36	72%	0.722	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	2.3	172.3	0	0	0	0	0	115.1	G331 F332 I333	G331-G335 PolarHBondContact O-N 3.46Å; F332-G335 CarbonylContact O-C 3.53Å; F332-G335 PolarHBondContact O-N 2.96Å; I333-G335 PolarHBondContact O-N 3.22Å
336	G	96.4	Very high	97.5	Very high	65 Å²	65	36.1 Å²	36.1	67%	0.67	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.6	10.7	175.7	0	0	0	0	0	115.3	F332 I333 R334	F332-G336 PolarHBondContact O-N 3.03Å; I333-G336 PolarHBondContact O-N 2.56Å; R334-G336 PolarHBondContact O-N 3.41Å
337	A	96.6	Very high	97.4	Very high	24 Å²	24	36.5 Å²	36.5	20%	0.198	23%	0.231	C	C	.	.			trans	-66.2	135	173	0	0	0	0	0	110.4	F332 L339	F332-A337 HydrophobicContact CB-CB 4.09Å; F332-A337 WeakPolarHBondContact O-CB 3.33Å; F332-A337 PolarHBondContact O-N 3.2Å; A337-L339 HydrophobicContact CB-CD1 3.81Å; A337-L339 HydrophobicContact CB-CG 3.93Å; A337-L339 PolarHBondContact O-N 2.73Å
338	P	94.5	Very high	97	Very high	117 Å²	117	33 Å²	33	76%	0.76	22%	0.219	S	C	*	.			trans	-77.7	68.1	-179	33.8	-36.5	0	0	0	110.8
339	L	96.9	Very high	96.5	Very high	14 Å²	14	37.2 Å²	37.2	7%	0.073	24%	0.237	C	C	.	.			trans	-108.8	144.3	-175.7	-68.3	171	0	0	0	111.1	Y329 F332 I333 A337 K448 L451	Y329-L339 HydrophobicContact CD2-CD1 4.25Å; Y329-L339 HydrophobicContact CE2-CB 4.42Å; Y329-L339 HydrophobicContact CE2-CD1 3.86Å; Y329-L339 HydrophobicContact CE2-CD2 4.22Å; Y329-L339 HydrophobicContact CE2-CG 4.4Å; F332-L339 HydrophobicContact CB-CD1 3.7Å; F332-L339 HydrophobicContact CD2-CD1 4.49Å; I333-L339 HydrophobicContact CD1-CB 4.34Å; I333-L339 HydrophobicContact CG1-CB 3.72Å; I333-L339 HydrophobicContact CG1-CD1 4.19Å; A337-L339 HydrophobicContact CB-CD1 3.81Å; A337-L339 HydrophobicContact CB-CG 3.93Å; A337-L339 PolarHBondContact O-N 2.73Å; L339-K448 HydrophobicContact CD1-CB 4.44Å; L339-K448 HydrophobicContact CD1-CG 4.15Å; L339-K448 HydrophobicContact CD2-CG 4.28Å; L339-K448 WeakPolarHBondContact CD2-O 3.28Å; L339-L451 HydrophobicContact CD2-CB 4.49Å
340	P	96.8	Very high	96.2	Very high	19 Å²	19	38.5 Å²	38.5	12%	0.123	25%	0.25	C	C	.	.			trans	-69.8	156.9	177.1	32.4	-38.6	0	0	0	111.5	A305 Y329 L451 F454	A305-P340 HydrophobicContact CB-CG 4.29Å; Y329-P340 WeakPolarHBondContact OH-CD 3.47Å; Y329-P340 PolarHBondContact OH-O 3.48Å; P340-L451 VanDerWaalsContact CD-O 3.29Å; P340-L451 WeakPolarHBondContact CD-O 3.35Å; P340-L451 HydrophobicContact CG-CB 4.11Å; P340-F454 HydrophobicContact CB-CD1 3.71Å; P340-F454 HydrophobicContact CB-CE1 4.26Å; P340-F454 HydrophobicContact CG-CB 3.99Å; P340-F454 HydrophobicContact CG-CD1 3.73Å; P340-F454 HydrophobicContact CG-CG 4.07Å
341	S	97.6	Very high	95.9	Very high	35 Å²	35	43.7 Å²	43.7	25%	0.245	28%	0.284	C	S	.	.			trans	-60.8	155.2	163.1	-61.3	0	0	0	0	110.4	P304 A305 R367	P304-S341 CarbonylContact C-O 3.54Å; P304-S341 WeakPolarHBondContact CA-O 3.26Å; P304-S341 WeakPolarHBondContact CB-O 3.34Å; A305-S341 PolarHBondContact N-O 3.44Å; S341-R367 CarbonylContact C-O 3.54Å; S341-R367 VanDerWaalsContact CA-O 3.28Å; S341-R367 WeakPolarHBondContact CA-O 3.47Å; S341-R367 VanDerWaalsContact CB-O 3.31Å; S341-R367 WeakPolarHBondContact CB-O 3.49Å; S341-R367 VanDerWaalsContact OG-CZ 3.26Å; S341-R367 PolarHBondContact OG-NE 3.47Å; S341-R367 PolarHBondContact OG-NH2 3.28Å; S341-R367 VanDerWaalsContact OG-NH2 3.08Å
342	L	98.1	Very high	95.7	Very high	2 Å²	2	44 Å²	44	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	142.4	179.9	-66.4	-178.6	0	0	0	112.4	A305 L326 Y329 R367 V368 K369 L451	A305-L342 HydrophobicContact CB-CD2 3.67Å; L326-L342 HydrophobicContact CD2-CD1 4.02Å; Y329-L342 HydrophobicContact CD1-CD1 3.51Å; Y329-L342 HydrophobicContact CD1-CG 4.2Å; Y329-L342 HydrophobicContact CD2-CD1 4.4Å; Y329-L342 HydrophobicContact CE1-CD1 3.29Å; Y329-L342 HydrophobicContact CE1-CD2 4.42Å; Y329-L342 HydrophobicContact CE1-CG 3.53Å; Y329-L342 HydrophobicContact CE2-CD1 4.22Å; Y329-L342 HydrophobicContact CG-CD1 4.07Å; L342-R367 PolarHBondContact N-O 3.24Å; L342-V368 HydrophobicContact CB-CB 4.44Å; L342-V368 HydrophobicContact CB-CG1 4.19Å; L342-V368 HydrophobicContact CB-CG2 4.15Å; L342-V368 HydrophobicContact CD1-CG2 4.17Å; L342-V368 HydrophobicContact CG-CG2 4.42Å; L342-K369 PolarHBondContact O-N 2.8Å; L342-L451 HydrophobicContact CD1-CD1 4.4Å; L342-L451 HydrophobicContact CD2-CD1 3.72Å
343	V	98.6	Very high	95.5	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.012	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	112.4	159.3	176	0	0	0	0	107.2	Q271 F272 F287 P304 A305 L306 L307 V345 K369	Q271-V343 HydrophobicContact CB-CG1 4.03Å; Q271-V343 HydrophobicContact CB-CG2 4.41Å; F272-V343 HydrophobicContact CE2-CG1 4.01Å; F272-V343 HydrophobicContact CZ-CG1 4.39Å; F287-V343 HydrophobicContact CE1-CB 4.39Å; F287-V343 HydrophobicContact CE1-CG2 4.43Å; F287-V343 HydrophobicContact CZ-CB 3.74Å; F287-V343 HydrophobicContact CZ-CG1 4.06Å; F287-V343 HydrophobicContact CZ-CG2 3.8Å; P304-V343 HydrophobicContact CB-CG2 4.07Å; P304-V343 HydrophobicContact CG-CG2 3.73Å; A305-V343 PolarHBondContact O-N 3.25Å; L306-V343 HydrophobicContact CD1-CB 4.41Å; L306-V343 HydrophobicContact CD1-CG1 4.2Å; L307-V343 PolarHBondContact N-O 2.81Å; V343-V345 HydrophobicContact CG1-CG2 4.46Å; V343-K369 CarbonylContact C-O 3.57Å; V343-K369 WeakPolarHBondContact CA-O 3.36Å
344	C	98.6	Very high	95.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	113.9	177.7	180	0	0	0	0	110.3	L307 L326 K369 I370 C371	L307-C344 HydrophobicContact CB-CB 4.27Å; L307-C344 HydrophobicContact CD2-CB 4.31Å; L307-C344 CarbonylContact O-C 3.59Å; L307-C344 WeakPolarHBondContact O-CA 3.43Å; L326-C344 HydrophobicContact CD1-CB 4.14Å; C344-K369 PolarHBondContact N-O 2.74Å; C344-I370 HydrophobicContact CB-CG1 4.24Å; C344-I370 WeakPolarHBondContact O-CA 3.38Å; C344-C371 PolarHBondContact O-N 2.77Å
345	V	98.6	Very high	95.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	120.7	174.5	-175.4	0	0	0	0	109.4	F272 L306 L307 I308 S309 V343 P373 L383	F272-V345 HydrophobicContact CE2-CG2 4.01Å; F272-V345 HydrophobicContact CZ-CG2 3.79Å; L306-V345 HydrophobicContact CD1-CG2 3.79Å; L307-V345 PolarHBondContact O-N 3Å; I308-V345 CarbonylContact C-O 3.58Å; I308-V345 WeakPolarHBondContact CA-O 3.22Å; I308-V345 HydrophobicContact CD1-CB 4.5Å; I308-V345 HydrophobicContact CG1-CB 4.41Å; S309-V345 PolarHBondContact N-O 3.17Å; V343-V345 HydrophobicContact CG1-CG2 4.46Å; V345-P373 HydrophobicContact CG1-CG 3.6Å; V345-L383 HydrophobicContact CB-CD2 4.5Å; V345-L383 HydrophobicContact CG1-CD2 3.94Å
346	I	97.7	Very high	95.4	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	103.7	172.2	-51.6	170.7	0	0	0	109.1	S309 T311 W313 F319 L322 I360 I370 C371 T372	S309-I346 WeakPolarHBondContact O-CA 3.08Å; T311-I346 HydrophobicContact CG2-CG2 3.62Å; W313-I346 HydrophobicContact CH2-CB 4.2Å; W313-I346 HydrophobicContact CH2-CG2 3.42Å; W313-I346 VanDerWaalsContact CH2-CG2 3.42Å; W313-I346 HydrophobicContact CZ2-CB 4.25Å; W313-I346 HydrophobicContact CZ2-CG2 3.46Å; W313-I346 VanDerWaalsContact CZ2-CG2 3.46Å; W313-I346 HydrophobicContact CZ3-CG2 4.26Å; F319-I346 HydrophobicContact CD1-CD1 3.94Å; F319-I346 HydrophobicContact CD1-CG2 4.07Å; F319-I346 HydrophobicContact CE1-CB 4.37Å; F319-I346 HydrophobicContact CE1-CD1 3.97Å; F319-I346 HydrophobicContact CE1-CG1 4.13Å; F319-I346 HydrophobicContact CE1-CG2 3.34Å; F319-I346 HydrophobicContact CZ-CG2 3.75Å; L322-I346 HydrophobicContact CD2-CD1 4.08Å; L322-I346 HydrophobicContact CD2-CG1 4.3Å; I346-I360 HydrophobicContact CD1-CD1 4.22Å; I346-I370 HydrophobicContact CD1-CG2 3.95Å; I346-I370 HydrophobicContact CG1-CG2 4.41Å; I346-C371 PolarHBondContact N-O 3.1Å; I346-T372 HydrophobicContact CB-CG2 4.27Å; I346-T372 WeakPolarHBondContact O-CA 3.34Å; I346-T372 WeakPolarHBondContact O-CB 3.24Å
347	T	95.1	Very high	95.4	Very high	8 Å²	8	43.2 Å²	43.2	5%	0.049	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	147.9	-172.5	-168.7	0	0	0	0	113.1	S309 S310 T311 P373 L375 Y380	S309-T347 PolarHBondContact O-N 3.17Å; S310-T347 WeakPolarHBondContact CA-O 3.31Å; T311-T347 WeakPolarHBondContact CG2-O 3.32Å; T311-T347 PolarHBondContact N-O 3.06Å; T347-P373 PolarHBondContact OG1-O 2.96Å; T347-L375 HydrophobicContact CG2-CD1 3.81Å; T347-L375 WeakPolarHBondContact OG1-CD1 3.37Å; T347-Y380 HydrophobicContact CG2-CD2 4.22Å; T347-Y380 HydrophobicContact CG2-CE2 4.08Å
348	G	91.4	Very high	95.5	Very high	16 Å²	16	49.4 Å²	49.4	17%	0.165	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	132.1	-171.1	175.3	0	0	0	0	0	113.9	T311 W313 K353	T311-G348 VanDerWaalsContact O-CA 3.32Å; T311-G348 WeakPolarHBondContact O-CA 3.26Å; W313-G348 PolarHBondContact NE1-O 3.2Å; G348-K353 PolarHBondContact O-NZ 2.81Å
349	K	87.6	Confident	95.6	Very high	158 Å²	158	46.9 Å²	46.9	69%	0.687	24%	0.241	S	C	*	.			trans	-142	135.6	-174.3	171.6	179.5	-177.5	178.3	0	111.5	S312 W374	S312-K349 CarbonylContact C-O 3.55Å; S312-K349 VanDerWaalsContact O-O 3.1Å; K349-W374 HydrophobicContact CB-CZ3 3.72Å; K349-W374 HydrophobicContact CD-CH2 4.47Å; K349-W374 HydrophobicContact CD-CZ3 4.24Å
350	G	90.8	Very high	95.6	Very high	26 Å²	26	47.5 Å²	47.5	27%	0.268	24%	0.244	S	C	.	.			trans	172.8	-174.3	168.6	0	0	0	0	0	112.9	S312 Q352 K353	S312-G350 VanDerWaalsContact O-CA 3.23Å; S312-G350 WeakPolarHBondContact O-CA 3.43Å; G350-Q352 PolarHBondContact O-N 3.49Å; G350-K353 WeakPolarHBondContact O-CB 3.47Å; G350-K353 PolarHBondContact O-N 2.85Å
351	P	92	Very high	95.5	Very high	111 Å²	111	50.4 Å²	50.4	72%	0.721	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-33.5	-164.3	24.3	-34	0	0	0	113.8	W313	W313-P351 WeakPolarHBondContact O-CD 3.42Å; W313-P351 WeakPolarHBondContact O-CG 3.46Å
352	Q	93.8	Very high	95.4	Very high	45 Å²	45	52.2 Å²	52.2	21%	0.21	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	0.3	-176	-61.3	-169.8	-26.4	0	0	114.4	W313 E315 G350 E354 H355 Y356	W313-Q352 HydrophobicContact CB-CB 4.41Å; W313-Q352 WeakPolarHBondContact O-CB 3.38Å; W313-Q352 PolarHBondContact O-N 2.83Å; E315-Q352 VanDerWaalsContact CG-NE2 3.34Å; G350-Q352 PolarHBondContact O-N 3.49Å; Q352-E354 PolarHBondContact O-N 3.35Å; Q352-H355 WeakPolarHBondContact O-CB 3.22Å; Q352-H355 PolarHBondContact O-N 3.47Å; Q352-H355 VanDerWaalsContact O-N 3.09Å; Q352-Y356 HydrophobicContact CB-CD2 3.97Å; Q352-Y356 HydrophobicContact CB-CE2 3.85Å; Q352-Y356 WeakPolarHBondContact O-CD2 3.45Å; Q352-Y356 PolarHBondContact O-N 2.9Å; Q352-Y356 VanDerWaalsContact O-N 3.13Å
353	K	94.9	Very high	95.3	Very high	32 Å²	32	53.6 Å²	53.6	14%	0.139	29%	0.29	C	S	.	.	H	α-helix	trans	-55.7	-47.2	-175.5	-175.7	169.9	-173.5	167.5	0	113.1	W313 G348 G350 H355 Y356 K357	W313-K353 HydrophobicContact CB-CB 4.22Å; W313-K353 HydrophobicContact CD2-CB 3.78Å; W313-K353 HydrophobicContact CD2-CG 4.08Å; W313-K353 HydrophobicContact CE3-CB 4.46Å; W313-K353 HydrophobicContact CG-CB 3.69Å; W313-K353 HydrophobicContact CG-CG 4.32Å; W313-K353 HydrophobicContact CZ2-CG 4.02Å; G348-K353 PolarHBondContact O-NZ 2.81Å; G350-K353 WeakPolarHBondContact O-CB 3.47Å; G350-K353 PolarHBondContact O-N 2.85Å; K353-H355 VanDerWaalsContact C-N 3.31Å; K353-H355 PolarHBondContact O-N 2.89Å; K353-Y356 PolarHBondContact O-N 2.91Å; K353-K357 HydrophobicContact CG-CD 4.03Å; K353-K357 WeakPolarHBondContact O-CB 3.5Å; K353-K357 WeakPolarHBondContact O-CG 3.35Å; K353-K357 PolarHBondContact O-N 3.39Å
354	E	95.8	Very high	94.9	Very high	106 Å²	106	61.2 Å²	61.2	50%	0.495	33%	0.325	S	S	.	.	H	α-helix	trans	-71.1	-27.5	-179	-66.8	-53.2	133	0	0	112.9	Q352 K357 K358	Q352-E354 PolarHBondContact O-N 3.35Å; E354-K357 VanDerWaalsContact CD-NZ 3.26Å; E354-K357 IonicContact OE1-NZ 3.53Å; E354-K357 PolarHBondContact OE1-NZ 3.12Å; E354-K357 IonicContact OE2-NZ 3.77Å; E354-K357 PolarHBondContact OE2-NZ 3.22Å; E354-K358 WeakPolarHBondContact O-CG 3.24Å; E354-K358 PolarHBondContact O-N 2.89Å
355	H	95.5	Very high	94.8	Very high	104 Å²	104	63 Å²	63	48%	0.481	33%	0.334	S	S	.	.	H	α-helix	trans	-63.5	-53.5	172.7	169	72.8	0	0	0	110.4	Q352 K353 K357 K358 L359	Q352-H355 WeakPolarHBondContact O-CB 3.22Å; Q352-H355 PolarHBondContact O-N 3.47Å; Q352-H355 VanDerWaalsContact O-N 3.09Å; K353-H355 VanDerWaalsContact C-N 3.31Å; K353-H355 PolarHBondContact O-N 2.89Å; H355-K357 PolarHBondContact O-N 2.84Å; H355-K358 WeakPolarHBondContact O-CB 3.15Å; H355-K358 PolarHBondContact O-N 3.14Å; H355-L359 PolarHBondContact O-N 3.24Å
356	Y	96.9	Very high	94.6	Very high	13 Å²	13	70.1 Å²	70.1	5%	0.051	37%	0.368	C	S	.	.	H	α-helix	trans	-68.4	-32	179.7	-72.8	-70	0	0	0	113.4	W313 F319 L323 Q352 K353 K358 L359 I360	W313-Y356 AromaticContact CE3-CD2 3.55Å; W313-Y356 HydrophobicContact CE3-CD2 3.55Å; W313-Y356 HydrophobicContact CE3-CE2 4.35Å; W313-Y356 HydrophobicContact CE3-CG 4.18Å; W313-Y356 AromaticContact CZ3-CD2 3.57Å; W313-Y356 HydrophobicContact CZ3-CD2 3.57Å; W313-Y356 AromaticContact CZ3-CG 3.71Å; W313-Y356 HydrophobicContact CZ3-CG 3.71Å; F319-Y356 HydrophobicContact CB-CD1 3.58Å; F319-Y356 HydrophobicContact CB-CD2 4.18Å; F319-Y356 HydrophobicContact CB-CE1 3.37Å; F319-Y356 HydrophobicContact CB-CE2 3.96Å; F319-Y356 HydrophobicContact CB-CG 3.99Å; F319-Y356 PolarHBondContact N-OH 3.37Å; F319-Y356 VanDerWaalsContact N-OH 3.07Å; L323-Y356 HydrophobicContact CD1-CD1 4.16Å; Q352-Y356 HydrophobicContact CB-CD2 3.97Å; Q352-Y356 HydrophobicContact CB-CE2 3.85Å; Q352-Y356 WeakPolarHBondContact O-CD2 3.45Å; Q352-Y356 PolarHBondContact O-N 2.9Å; Q352-Y356 VanDerWaalsContact O-N 3.13Å; K353-Y356 PolarHBondContact O-N 2.91Å; Y356-K358 VanDerWaalsContact C-N 3.26Å; Y356-K358 PolarHBondContact O-N 3.4Å; Y356-L359 HydrophobicContact CD1-CD1 3.86Å; Y356-L359 HydrophobicContact CE1-CD1 4.2Å; Y356-L359 WeakPolarHBondContact O-CB 3.4Å; Y356-L359 PolarHBondContact O-N 3.45Å; Y356-L359 VanDerWaalsContact O-N 3.15Å; Y356-I360 WeakPolarHBondContact O-CB 3.44Å; Y356-I360 VanDerWaalsContact O-CG1 3.26Å; Y356-I360 WeakPolarHBondContact O-CG1 3.41Å; Y356-I360 PolarHBondContact O-N 3.09Å
357	K	96.6	Very high	94.5	Very high	74 Å²	74	75.4 Å²	75.4	32%	0.322	39%	0.387	S	S	.	.	H	α-helix	trans	-59	-37.6	171.9	-79.8	173	66.4	-151.8	0	112.6	K353 E354 H355 A361 T372	K353-K357 HydrophobicContact CG-CD 4.03Å; K353-K357 WeakPolarHBondContact O-CB 3.5Å; K353-K357 WeakPolarHBondContact O-CG 3.35Å; K353-K357 PolarHBondContact O-N 3.39Å; E354-K357 VanDerWaalsContact CD-NZ 3.26Å; E354-K357 IonicContact OE1-NZ 3.53Å; E354-K357 PolarHBondContact OE1-NZ 3.12Å; E354-K357 IonicContact OE2-NZ 3.77Å; E354-K357 PolarHBondContact OE2-NZ 3.22Å; H355-K357 PolarHBondContact O-N 2.84Å; K357-A361 WeakPolarHBondContact O-CB 3.3Å; K357-A361 PolarHBondContact O-N 3.36Å; K357-T372 HydrophobicContact CG-CG2 4.37Å
358	K	96.9	Very high	94.7	Very high	155 Å²	155	75.1 Å²	75.1	67%	0.674	39%	0.386	S	S	*	.	H	α-helix	trans	-66.8	-41.4	174.4	-70.5	173.4	-178.6	-179.4	0	111.6	E354 H355 Y356 A361 S362	E354-K358 WeakPolarHBondContact O-CG 3.24Å; E354-K358 PolarHBondContact O-N 2.89Å; H355-K358 WeakPolarHBondContact O-CB 3.15Å; H355-K358 PolarHBondContact O-N 3.14Å; Y356-K358 VanDerWaalsContact C-N 3.26Å; Y356-K358 PolarHBondContact O-N 3.4Å; K358-A361 PolarHBondContact O-N 2.58Å; K358-S362 PolarHBondContact O-N 2.78Å
359	L	96.9	Very high	95	Very high	64 Å²	64	79.5 Å²	79.5	34%	0.335	40%	0.4	S	S	.	.	H	α-helix	trans	-61.5	-49.9	174.7	-65.3	178	0	0	0	110.9	L323 H355 Y356 A361 S362 L363	L323-L359 HydrophobicContact CD1-CB 3.96Å; H355-L359 PolarHBondContact O-N 3.24Å; Y356-L359 HydrophobicContact CD1-CD1 3.86Å; Y356-L359 HydrophobicContact CE1-CD1 4.2Å; Y356-L359 WeakPolarHBondContact O-CB 3.4Å; Y356-L359 PolarHBondContact O-N 3.45Å; Y356-L359 VanDerWaalsContact O-N 3.15Å; L359-A361 VanDerWaalsContact C-N 3.29Å; L359-A361 PolarHBondContact O-N 2.73Å; L359-S362 WeakPolarHBondContact O-CA 3.34Å; L359-S362 WeakPolarHBondContact O-CB 3.37Å; L359-S362 PolarHBondContact O-N 2.83Å; L359-S362 PolarHBondContact O-OG 2.72Å; L359-L363 WeakPolarHBondContact O-CG 3.48Å; L359-L363 PolarHBondContact O-N 2.55Å
360	I	96.9	Very high	95.5	Very high	27 Å²	27	73 Å²	73	14%	0.138	37%	0.373	C	S	.	.	H	α-helix	trans	-55	-44.3	176.5	-68.9	161.8	0	0	0	111.3	L323 I346 Y356 S362 L363 I370 T372	L323-I360 HydrophobicContact CD1-CG1 4.08Å; L323-I360 HydrophobicContact CD2-CD1 4.35Å; L323-I360 HydrophobicContact CD2-CG1 3.68Å; I346-I360 HydrophobicContact CD1-CD1 4.22Å; Y356-I360 WeakPolarHBondContact O-CB 3.44Å; Y356-I360 VanDerWaalsContact O-CG1 3.26Å; Y356-I360 WeakPolarHBondContact O-CG1 3.41Å; Y356-I360 PolarHBondContact O-N 3.09Å; I360-S362 PolarHBondContact O-N 3.42Å; I360-L363 WeakPolarHBondContact O-CB 3.4Å; I360-L363 PolarHBondContact O-N 3.09Å; I360-L363 VanDerWaalsContact O-N 3.08Å; I360-I370 HydrophobicContact CD1-CG2 3.96Å; I360-I370 HydrophobicContact CG1-CD1 4.47Å; I360-I370 HydrophobicContact CG1-CG2 4.27Å; I360-I370 HydrophobicContact CG2-CB 3.91Å; I360-I370 HydrophobicContact CG2-CD1 4.36Å; I360-I370 HydrophobicContact CG2-CG2 3.97Å; I360-T372 HydrophobicContact CD1-CG2 3.95Å
361	A	95.4	Very high	95.7	Very high	80 Å²	80	72 Å²	72	66%	0.661	36%	0.362	S	S	*	.	H	α-helix	trans	-65.4	-23.3	178.6	0	0	0	0	0	113.7	K357 K358 L359	K357-A361 WeakPolarHBondContact O-CB 3.3Å; K357-A361 PolarHBondContact O-N 3.36Å; K358-A361 PolarHBondContact O-N 2.58Å; L359-A361 VanDerWaalsContact C-N 3.29Å; L359-A361 PolarHBondContact O-N 2.73Å
362	S	95.9	Very high	96	Very high	73 Å²	73	68.1 Å²	68.1	51%	0.51	34%	0.336	S	S	.	.	H	α-helix	trans	-83.4	-11.1	174.7	73.1	0	0	0	0	113.7	K358 L359 I360	K358-S362 PolarHBondContact O-N 2.78Å; L359-S362 WeakPolarHBondContact O-CA 3.34Å; L359-S362 WeakPolarHBondContact O-CB 3.37Å; L359-S362 PolarHBondContact O-N 2.83Å; L359-S362 PolarHBondContact O-OG 2.72Å; I360-S362 PolarHBondContact O-N 3.42Å
363	L	94.6	Very high	96	Very high	30 Å²	30	66.3 Å²	66.3	16%	0.157	33%	0.328	C	S	.	.			trans	-77	129.7	177.6	-58.4	-179.1	0	0	0	110.3	L323 Q327 L359 I360 L365 I370	L323-L363 HydrophobicContact CB-CD1 4.25Å; L323-L363 HydrophobicContact CD2-CD1 4.08Å; Q327-L363 VanDerWaalsContact CD-CD2 3.47Å; Q327-L363 HydrophobicContact CG-CD2 3.98Å; L359-L363 WeakPolarHBondContact O-CG 3.48Å; L359-L363 PolarHBondContact O-N 2.55Å; I360-L363 WeakPolarHBondContact O-CB 3.4Å; I360-L363 PolarHBondContact O-N 3.09Å; I360-L363 VanDerWaalsContact O-N 3.08Å; L363-L365 HydrophobicContact CB-CD1 4.11Å; L363-L365 HydrophobicContact CB-CG 4.1Å; L363-L365 HydrophobicContact CD1-CD1 4.15Å; L363-I370 HydrophobicContact CD1-CD1 4.08Å
364	H	91.6	Very high	95.7	Very high	162 Å²	162	72.1 Å²	72.1	75%	0.75	35%	0.349	S	S	*	.			trans	-105	76.9	176.4	-61.2	-30.6	0	0	0	110.1	R334	R334-H364 PolarHBondContact NH2-O 2.62Å; R334-H364 VanDerWaalsContact NH2-O 3.15Å
365	L	95.6	Very high	95.3	Very high	37 Å²	37	68 Å²	68	19%	0.194	33%	0.33	C	S	.	.			trans	-107	134.9	-178.8	-56.5	173.4	0	0	0	109.8	Q327 E330 L363 V368 I370	Q327-L365 HydrophobicContact CG-CD2 4.2Å; E330-L365 HydrophobicContact CB-CD2 3.76Å; E330-L365 HydrophobicContact CG-CD2 3.77Å; L363-L365 HydrophobicContact CB-CD1 4.11Å; L363-L365 HydrophobicContact CB-CG 4.1Å; L363-L365 HydrophobicContact CD1-CD1 4.15Å; L365-V368 HydrophobicContact CB-CB 4.2Å; L365-V368 VanDerWaalsContact CB-O 3.23Å; L365-V368 WeakPolarHBondContact CB-O 3.12Å; L365-V368 HydrophobicContact CD1-CB 4Å; L365-V368 HydrophobicContact CD1-CG1 4.02Å; L365-I370 HydrophobicContact CD1-CD1 4.27Å
366	E	94.2	Very high	95	Very high	151 Å²	151	68.2 Å²	68.2	71%	0.706	33%	0.332	S	S	*	.	S	Bend	trans	-101	-43.3	-179.3	-63.4	178.7	-178.7	0	0	111.2	E330	E330-E366 WeakPolarHBondContact OE1-CA 3.49Å; E330-E366 WeakPolarHBondContact OE1-CB 3.46Å; E330-E366 PolarHBondContact OE1-N 3.27Å
367	R	96.5	Very high	94.4	Very high	111 Å²	111	71.7 Å²	71.7	42%	0.419	36%	0.363	S	S	.	.	S	Bend	trans	-97	-20.7	-174.9	-59.7	-66.7	-60.1	-130.5	-4.5	112.6	E330 I333 S341 L342	E330-R367 PolarHBondContact OE1-N 3.46Å; E330-R367 VanDerWaalsContact OE1-N 3.08Å; E330-R367 WeakPolarHBondContact OE2-CA 3.29Å; E330-R367 WeakPolarHBondContact OE2-CB 3.33Å; E330-R367 PolarHBondContact OE2-N 2.88Å; I333-R367 HydrophobicContact CD1-CB 3.79Å; I333-R367 HydrophobicContact CD1-CG 4.46Å; I333-R367 HydrophobicContact CG2-CB 4.48Å; I333-R367 HydrophobicContact CG2-CG 3.97Å; S341-R367 CarbonylContact C-O 3.54Å; S341-R367 VanDerWaalsContact CA-O 3.28Å; S341-R367 WeakPolarHBondContact CA-O 3.47Å; S341-R367 VanDerWaalsContact CB-O 3.31Å; S341-R367 WeakPolarHBondContact CB-O 3.49Å; S341-R367 VanDerWaalsContact OG-CZ 3.26Å; S341-R367 PolarHBondContact OG-NE 3.47Å; S341-R367 PolarHBondContact OG-NH2 3.28Å; S341-R367 VanDerWaalsContact OG-NH2 3.08Å; L342-R367 PolarHBondContact N-O 3.24Å
368	V	98	Very high	94	Very high	3 Å²	3	76.1 Å²	76.1	2%	0.018	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	121	171.8	179.9	0	0	0	0	110.6	L326 Y329 E330 L342 L365 I370	L326-V368 HydrophobicContact CB-CG1 4.23Å; L326-V368 HydrophobicContact CD1-CG1 4.28Å; L326-V368 HydrophobicContact CD2-CG1 4.07Å; L326-V368 HydrophobicContact CG-CG1 4.42Å; Y329-V368 HydrophobicContact CD1-CG2 3.8Å; Y329-V368 HydrophobicContact CE1-CG2 4.3Å; E330-V368 HydrophobicContact CB-CG2 4.4Å; E330-V368 WeakPolarHBondContact OE2-CG2 3.49Å; E330-V368 PolarHBondContact OE2-N 3.03Å; L342-V368 HydrophobicContact CB-CB 4.44Å; L342-V368 HydrophobicContact CB-CG1 4.19Å; L342-V368 HydrophobicContact CB-CG2 4.15Å; L342-V368 HydrophobicContact CD1-CG2 4.17Å; L342-V368 HydrophobicContact CG-CG2 4.42Å; L365-V368 HydrophobicContact CB-CB 4.2Å; L365-V368 VanDerWaalsContact CB-O 3.23Å; L365-V368 WeakPolarHBondContact CB-O 3.12Å; L365-V368 HydrophobicContact CD1-CB 4Å; L365-V368 HydrophobicContact CD1-CG1 4.02Å; V368-I370 HydrophobicContact CG1-CG1 4.3Å
369	K	97.7	Very high	93.9	Very high	107 Å²	107	69.7 Å²	69.7	47%	0.465	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	130.4	175.7	-60.9	-179.8	-178.4	175.5	0	109.8	Q271 L342 V343 C344	Q271-K369 HydrophobicContact CB-CB 4.4Å; Q271-K369 HydrophobicContact CB-CD 4.48Å; Q271-K369 HydrophobicContact CG-CB 3.75Å; Q271-K369 HydrophobicContact CG-CD 4.26Å; L342-K369 PolarHBondContact O-N 2.8Å; V343-K369 CarbonylContact C-O 3.57Å; V343-K369 WeakPolarHBondContact CA-O 3.36Å; C344-K369 PolarHBondContact N-O 2.74Å
370	I	98.2	Very high	93.8	Very high	22 Å²	22	68.7 Å²	68.7	11%	0.113	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	137.9	179.5	-52	176.5	0	0	0	109.3	Q271 L323 L326 C344 I346 I360 L363 L365 V368	Q271-I370 PolarHBondContact NE2-O 3.37Å; L323-I370 HydrophobicContact CD2-CD1 3.87Å; L326-I370 HydrophobicContact CD1-CD1 3.74Å; L326-I370 HydrophobicContact CD1-CG1 4.17Å; C344-I370 HydrophobicContact CB-CG1 4.24Å; C344-I370 WeakPolarHBondContact O-CA 3.38Å; I346-I370 HydrophobicContact CD1-CG2 3.95Å; I346-I370 HydrophobicContact CG1-CG2 4.41Å; I360-I370 HydrophobicContact CD1-CG2 3.96Å; I360-I370 HydrophobicContact CG1-CD1 4.47Å; I360-I370 HydrophobicContact CG1-CG2 4.27Å; I360-I370 HydrophobicContact CG2-CB 3.91Å; I360-I370 HydrophobicContact CG2-CD1 4.36Å; I360-I370 HydrophobicContact CG2-CG2 3.97Å; L363-I370 HydrophobicContact CD1-CD1 4.08Å; L365-I370 HydrophobicContact CD1-CD1 4.27Å; V368-I370 HydrophobicContact CG1-CG1 4.3Å
371	C	96.8	Very high	93.8	Very high	6 Å²	6	67.9 Å²	67.9	4%	0.041	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	153.7	169.6	66.5	0	0	0	0	112.1	Q271 C344 I346 P373	Q271-C371 HydrophobicContact CG-CB 4.32Å; C344-C371 PolarHBondContact O-N 2.77Å; I346-C371 PolarHBondContact N-O 3.1Å; C371-P373 VanDerWaalsContact C-CD 3.41Å; C371-P373 WeakPolarHBondContact O-CD 3.01Å
372	T	96.6	Very high	93.9	Very high	28 Å²	28	66.5 Å²	66.5	17%	0.172	33%	0.328	C	S	.	.			trans	-125.5	58	-176.7	68.5	0	0	0	0	112.8	W313 I346 K357 I360	W313-T372 HydrophobicContact CH2-CG2 4.36Å; W313-T372 HydrophobicContact CZ2-CG2 4.31Å; I346-T372 HydrophobicContact CB-CG2 4.27Å; I346-T372 WeakPolarHBondContact O-CA 3.34Å; I346-T372 WeakPolarHBondContact O-CB 3.24Å; K357-T372 HydrophobicContact CG-CG2 4.37Å; I360-T372 HydrophobicContact CD1-CG2 3.95Å
373	P	94.4	Very high	94	Very high	7 Å²	7	63 Å²	63	5%	0.045	30%	0.304	C	S	.	.			trans	-64.4	151.5	-174.7	29.6	-35.5	0	0	0	111.4	M265 Q269 V345 T347 C371 L375	M265-P373 HydrophobicContact CE-CG 4.06Å; Q269-P373 HydrophobicContact CG-CB 4.28Å; V345-P373 HydrophobicContact CG1-CG 3.6Å; T347-P373 PolarHBondContact OG1-O 2.96Å; C371-P373 VanDerWaalsContact C-CD 3.41Å; C371-P373 WeakPolarHBondContact O-CD 3.01Å; P373-L375 HydrophobicContact CB-CD2 4.43Å; P373-L375 HydrophobicContact CG-CD2 4.3Å
374	W	88.4	Confident	94.2	Very high	155 Å²	155	61.6 Å²	61.6	59%	0.587	30%	0.296	S	S	*	.			trans	-80	131.3	155.9	-179.3	-101.6	0	0	0	107.7	K349	K349-W374 HydrophobicContact CB-CZ3 3.72Å; K349-W374 HydrophobicContact CD-CH2 4.47Å; K349-W374 HydrophobicContact CD-CZ3 4.24Å
375	L	88.4	Confident	94.5	Very high	19 Å²	19	54 Å²	54	10%	0.099	26%	0.262	C	S	.	.			trans	-111.1	135.4	176.6	-63.4	172.5	0	0	0	108.4	M265 T347 P373 Y380 L383	M265-L375 HydrophobicContact CE-CD2 4.27Å; T347-L375 HydrophobicContact CG2-CD1 3.81Å; T347-L375 WeakPolarHBondContact OG1-CD1 3.37Å; P373-L375 HydrophobicContact CB-CD2 4.43Å; P373-L375 HydrophobicContact CG-CD2 4.3Å; L375-Y380 HydrophobicContact CD1-CD2 4.21Å; L375-L383 HydrophobicContact CD1-CB 4.43Å; L375-L383 HydrophobicContact CD1-CD2 3.49Å; L375-L383 VanDerWaalsContact CD1-CD2 3.49Å; L375-L383 HydrophobicContact CD2-CD2 4.07Å; L375-L383 HydrophobicContact CG-CD2 4.42Å
376	E	87.8	Confident	94.6	Very high	109 Å²	109	52.6 Å²	52.6	51%	0.509	26%	0.255	S	S	.	.			trans	-66.5	154.6	167.8	-61.2	-56.4	141.4	0	0	109.7	E378 D379 Y380	E376-E378 PolarHBondContact O-N 3.36Å; E376-E378 VanDerWaalsContact O-N 3.09Å; E376-D379 PolarHBondContact O-N 3.39Å; E376-Y380 PolarHBondContact O-N 2.88Å
377	A	85.1	Confident	94.8	Very high	86 Å²	86	45.5 Å²	45.5	71%	0.711	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-30.1	-176.1	0	0	0	0	0	113	P381	A377-P381 VanDerWaalsContact O-CD 3.22Å; A377-P381 WeakPolarHBondContact O-CD 3.4Å
378	E	88.9	Confident	94.9	Very high	167 Å²	167	40.9 Å²	40.9	78%	0.78	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-29.2	178.9	-63.2	172.8	-167.1	0	0	112.9	E376	E376-E378 PolarHBondContact O-N 3.36Å; E376-E378 VanDerWaalsContact O-N 3.09Å
379	D	94.2	Very high	94.9	Very high	20 Å²	20	40.9 Å²	40.9	11%	0.107	21%	0.205	C	C	.	.	H	α-helix	trans	-80	-26.4	179.7	-63.2	-39.6	0	0	0	111.9	L261 K264 E376 L382 L383	L261-D379 HydrophobicContact CD1-CB 3.98Å; K264-D379 WeakPolarHBondContact CE-OD2 3.04Å; K264-D379 IonicContact NZ-OD1 2.73Å; K264-D379 PolarHBondContact NZ-OD1 2.79Å; K264-D379 IonicContact NZ-OD2 3.7Å; K264-D379 PolarHBondContact NZ-OD2 2.73Å; E376-D379 PolarHBondContact O-N 3.39Å; D379-L382 WeakPolarHBondContact O-CB 3.46Å; D379-L382 PolarHBondContact O-N 3.39Å; D379-L383 PolarHBondContact O-N 3.29Å
380	Y	95.1	Very high	95	Very high	43 Å²	43	35.8 Å²	35.8	17%	0.169	18%	0.183	C	C	.	.	H	α-helix	trans	-60	-51.6	-176.1	173.3	-106.4	0	0	0	113.4	F250 S310 T347 L375 E376 L382 L383 L384	F250-Y380 AromaticContact CE1-CD1 3.82Å; F250-Y380 HydrophobicContact CE1-CD1 3.82Å; F250-Y380 AromaticContact CE1-CE1 3.68Å; F250-Y380 HydrophobicContact CE1-CE1 3.68Å; F250-Y380 HydrophobicContact CZ-CD1 4.23Å; F250-Y380 HydrophobicContact CZ-CE1 4.03Å; S310-Y380 WeakPolarHBondContact CB-OH 3.46Å; S310-Y380 VanDerWaalsContact OG-CE2 3.31Å; S310-Y380 WeakPolarHBondContact OG-CE2 3.46Å; S310-Y380 PolarHBondContact OG-OH 3.41Å; T347-Y380 HydrophobicContact CG2-CD2 4.22Å; T347-Y380 HydrophobicContact CG2-CE2 4.08Å; L375-Y380 HydrophobicContact CD1-CD2 4.21Å; E376-Y380 PolarHBondContact O-N 2.88Å; Y380-L382 VanDerWaalsContact C-N 3.27Å; Y380-L382 PolarHBondContact O-N 3Å; Y380-L383 PolarHBondContact O-N 3.15Å; Y380-L384 HydrophobicContact CD1-CD1 4.37Å; Y380-L384 HydrophobicContact CD2-CG 4.49Å; Y380-L384 HydrophobicContact CE1-CD1 3.71Å; Y380-L384 HydrophobicContact CE1-CG 4.39Å; Y380-L384 HydrophobicContact CE2-CD1 4.18Å; Y380-L384 HydrophobicContact CE2-CD2 4.16Å; Y380-L384 HydrophobicContact CE2-CG 4.11Å; Y380-L384 WeakPolarHBondContact O-CG 3.31Å; Y380-L384 PolarHBondContact O-N 3.46Å
381	P	96.2	Very high	95	Very high	10 Å²	10	34.8 Å²	34.8	7%	0.065	18%	0.178	C	C	.	.	H	α-helix	trans	-60.2	-37.6	174.3	-21.6	32	0	0	0	112.7	I249 F250 A377 L383 L384 G385	I249-P381 HydrophobicContact CD1-CG 3.97Å; I249-P381 HydrophobicContact CG1-CG 4.26Å; F250-P381 HydrophobicContact CD1-CB 3.8Å; F250-P381 HydrophobicContact CD1-CG 4.12Å; F250-P381 HydrophobicContact CE1-CB 3.96Å; F250-P381 HydrophobicContact CE1-CG 3.78Å; F250-P381 HydrophobicContact CZ-CG 4.37Å; A377-P381 VanDerWaalsContact O-CD 3.22Å; A377-P381 WeakPolarHBondContact O-CD 3.4Å; P381-L383 VanDerWaalsContact C-N 3.35Å; P381-L383 PolarHBondContact O-N 2.87Å; P381-L384 PolarHBondContact O-N 2.96Å; P381-G385 PolarHBondContact O-N 2.91Å
382	L	97.9	Very high	95.1	Very high	51 Å²	51	34.7 Å²	34.7	27%	0.267	18%	0.177	S	C	.	.	H	α-helix	trans	-63.5	-42.3	178.9	-62.2	177.7	0	0	0	111	T253 L257 L261 D379 Y380 G385 S386	T253-L382 HydrophobicContact CG2-CB 4.35Å; T253-L382 HydrophobicContact CG2-CD2 3.96Å; T253-L382 WeakPolarHBondContact OG1-CA 3.46Å; T253-L382 PolarHBondContact OG1-O 2.69Å; L257-L382 HydrophobicContact CD1-CD2 4.5Å; L261-L382 HydrophobicContact CD2-CB 3.82Å; D379-L382 WeakPolarHBondContact O-CB 3.46Å; D379-L382 PolarHBondContact O-N 3.39Å; Y380-L382 VanDerWaalsContact C-N 3.27Å; Y380-L382 PolarHBondContact O-N 3Å; L382-G385 PolarHBondContact O-N 3.4Å; L382-S386 WeakPolarHBondContact O-CB 3.44Å; L382-S386 PolarHBondContact O-N 2.89Å; L382-S386 VanDerWaalsContact O-N 3.08Å; L382-S386 PolarHBondContact O-OG 3.04Å
383	L	98.1	Very high	95.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-68.5	-43.2	178.2	-170.9	60.7	0	0	0	112	L261 F262 M265 L306 I308 V345 L375 D379 Y380 P381 G385 S386 A387	L261-L383 HydrophobicContact CD2-CB 3.93Å; L261-L383 HydrophobicContact CD2-CD1 4.05Å; F262-L383 HydrophobicContact CE1-CD1 4.23Å; M265-L383 HydrophobicContact CE-CD1 4.39Å; M265-L383 HydrophobicContact CE-CD2 4.06Å; M265-L383 HydrophobicContact SD-CD1 3.76Å; M265-L383 HydrophobicContact SD-CD2 4.23Å; L306-L383 HydrophobicContact CD2-CD1 4.11Å; I308-L383 HydrophobicContact CD1-CB 4.36Å; I308-L383 HydrophobicContact CD1-CD2 3.53Å; I308-L383 HydrophobicContact CD1-CG 3.65Å; V345-L383 HydrophobicContact CB-CD2 4.5Å; V345-L383 HydrophobicContact CG1-CD2 3.94Å; L375-L383 HydrophobicContact CD1-CB 4.43Å; L375-L383 HydrophobicContact CD1-CD2 3.49Å; L375-L383 VanDerWaalsContact CD1-CD2 3.49Å; L375-L383 HydrophobicContact CD2-CD2 4.07Å; L375-L383 HydrophobicContact CG-CD2 4.42Å; D379-L383 PolarHBondContact O-N 3.29Å; Y380-L383 PolarHBondContact O-N 3.15Å; P381-L383 VanDerWaalsContact C-N 3.35Å; P381-L383 PolarHBondContact O-N 2.87Å; L383-G385 VanDerWaalsContact C-N 3.29Å; L383-G385 PolarHBondContact O-N 2.83Å; L383-S386 PolarHBondContact O-N 3.17Å; L383-A387 PolarHBondContact O-N 3Å
384	L	98.2	Very high	95	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-57.4	-44.5	173.5	-69	-171.6	0	0	0	111.4	F250 I308 Y380 P381 S386 A387 D408 M409 C412 L414	F250-L384 HydrophobicContact CD1-CD1 4.04Å; F250-L384 HydrophobicContact CE1-CD1 3.96Å; I308-L384 HydrophobicContact CD1-CD2 3.84Å; I308-L384 HydrophobicContact CG1-CD2 4.19Å; I308-L384 HydrophobicContact CG2-CD2 4.03Å; Y380-L384 HydrophobicContact CD1-CD1 4.37Å; Y380-L384 HydrophobicContact CD2-CG 4.49Å; Y380-L384 HydrophobicContact CE1-CD1 3.71Å; Y380-L384 HydrophobicContact CE1-CG 4.39Å; Y380-L384 HydrophobicContact CE2-CD1 4.18Å; Y380-L384 HydrophobicContact CE2-CD2 4.16Å; Y380-L384 HydrophobicContact CE2-CG 4.11Å; Y380-L384 WeakPolarHBondContact O-CG 3.31Å; Y380-L384 PolarHBondContact O-N 3.46Å; P381-L384 PolarHBondContact O-N 2.96Å; L384-S386 PolarHBondContact O-N 3.09Å; L384-A387 PolarHBondContact O-N 2.97Å; L384-D408 HydrophobicContact CD1-CB 3.84Å; L384-M409 HydrophobicContact CD1-CG 4.36Å; L384-M409 HydrophobicContact CD2-CE 4.3Å; L384-M409 HydrophobicContact CD2-CG 4.05Å; L384-C412 HydrophobicContact CB-CB 4.11Å; L384-L414 HydrophobicContact CD2-CD2 4.35Å
385	G	97.9	Very high	95.2	Very high	3 Å²	3	31.4 Å²	31.4	3%	0.031	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-8.9	177.2	0	0	0	0	0	115	T253 P381 L382 L383	T253-G385 PolarHBondContact N-O 3.28Å; T253-G385 VanDerWaalsContact OG1-CA 3.3Å; T253-G385 WeakPolarHBondContact OG1-CA 3.18Å; P381-G385 PolarHBondContact O-N 2.91Å; L382-G385 PolarHBondContact O-N 3.4Å; L383-G385 VanDerWaalsContact C-N 3.29Å; L383-G385 PolarHBondContact O-N 2.83Å
386	S	98.3	Very high	95.4	Very high	7 Å²	7	31.1 Å²	31.1	5%	0.049	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-16	176.1	-48.7	0	0	0	0	113.2	Q258 L382 L383 L384	Q258-S386 WeakPolarHBondContact CG-OG 3.45Å; L382-S386 WeakPolarHBondContact O-CB 3.44Å; L382-S386 PolarHBondContact O-N 2.89Å; L382-S386 VanDerWaalsContact O-N 3.08Å; L382-S386 PolarHBondContact O-OG 3.04Å; L383-S386 PolarHBondContact O-N 3.17Å; L384-S386 PolarHBondContact O-N 3.09Å
387	A	98.4	Very high	95.6	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.008	15%	0.151	C	C	.	.			trans	-74.9	157.6	-176.4	0	0	0	0	0	112.7	L306 I308 L383 L384 L414 R465	L306-A387 HydrophobicContact CD2-CB 4.32Å; L306-A387 HydrophobicContact CG-CB 4.13Å; I308-A387 HydrophobicContact CB-CB 4.17Å; I308-A387 HydrophobicContact CG2-CB 3.5Å; L383-A387 PolarHBondContact O-N 3Å; L384-A387 PolarHBondContact O-N 2.97Å; A387-L414 HydrophobicContact CB-CD1 3.84Å; A387-L414 HydrophobicContact CB-CD2 4Å; A387-L414 VanDerWaalsContact O-CD1 3.24Å; A387-L414 WeakPolarHBondContact O-CD1 3.31Å; A387-R465 PolarHBondContact O-NH2 3.01Å
388	D	98.4	Very high	96	Very high	15 Å²	15	25 Å²	25	8%	0.08	13%	0.128	C	C	.	.	S	Bend	trans	-89.5	-42.2	179	-65.8	-60.8	0	0	0	111.6	R303 A305 L306 L414 F454 L461 R465	R303-D388 IonicContact CZ-OD1 3.51Å; R303-D388 IonicContact CZ-OD2 3.45Å; R303-D388 IonicContact NH1-OD1 2.91Å; R303-D388 PolarHBondContact NH1-OD1 3.28Å; R303-D388 IonicContact NH1-OD2 3.75Å; R303-D388 PolarHBondContact NH1-OD2 3.46Å; R303-D388 IonicContact NH2-OD1 3.31Å; R303-D388 PolarHBondContact NH2-OD1 2.98Å; R303-D388 IonicContact NH2-OD2 3.47Å; A305-D388 WeakPolarHBondContact CA-OD2 3.43Å; L306-D388 PolarHBondContact N-OD2 3.47Å; L306-D388 PolarHBondContact O-N 2.89Å; D388-L414 VanDerWaalsContact C-CD1 3.49Å; D388-F454 HydrophobicContact CB-CE2 4.24Å; D388-L461 HydrophobicContact CB-CD2 4.21Å; D388-R465 PolarHBondContact O-NH2 2.83Å; D388-R465 VanDerWaalsContact O-NH2 3.14Å
389	L	98.7	Very high	96.3	Very high	3 Å²	3	17.6 Å²	17.6	2%	0.016	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	138.5	-178.9	-179.3	65	0	0	0	111	L306 L307 I308 P415 L447 L450 L461	L306-L389 PolarHBondContact O-N 3.08Å; L307-L389 WeakPolarHBondContact CA-O 3.5Å; L307-L389 HydrophobicContact CD1-CB 3.75Å; L307-L389 HydrophobicContact CD1-CD2 3.74Å; L307-L389 HydrophobicContact CD1-CG 3.73Å; L307-L389 WeakPolarHBondContact CD1-O 3.05Å; I308-L389 PolarHBondContact N-O 3.04Å; L389-P415 HydrophobicContact CD1-CB 4.41Å; L389-P415 WeakPolarHBondContact CD1-O 3.35Å; L389-L447 HydrophobicContact CD2-CD2 3.56Å; L389-L450 HydrophobicContact CD1-CD1 3.93Å; L389-L450 HydrophobicContact CD2-CD1 3.89Å; L389-L461 HydrophobicContact CB-CD1 4.27Å; L389-L461 HydrophobicContact CD1-CD1 3.94Å
390	G	98.6	Very high	96.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	147.9	169.7	0	0	0	0	0	112.4	I308 P415 V416 C417	I308-G390 CarbonylContact O-C 3.51Å; I308-G390 VanDerWaalsContact O-CA 3.29Å; I308-G390 WeakPolarHBondContact O-CA 3.32Å; G390-P415 PolarHBondContact N-O 3.5Å; G390-V416 CarbonylContact O-C 3.48Å; G390-V416 VanDerWaalsContact O-CA 3.26Å; G390-V416 WeakPolarHBondContact O-CA 3.44Å; G390-C417 PolarHBondContact O-N 2.92Å
391	V	98.6	Very high	96.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	123.5	168.3	-176.4	0	0	0	0	109.9	L307 I308 S309 L322 L393 C417 F437 L443	L307-V391 HydrophobicContact CD1-CG2 3.58Å; L307-V391 HydrophobicContact CD2-CG2 4.04Å; L307-V391 HydrophobicContact CG-CG2 3.97Å; I308-V391 PolarHBondContact O-N 3.42Å; S309-V391 WeakPolarHBondContact CA-O 3.25Å; S309-V391 WeakPolarHBondContact CB-O 3.36Å; S309-V391 PolarHBondContact OG-O 2.64Å; L322-V391 HydrophobicContact CD1-CG1 4.27Å; L322-V391 HydrophobicContact CD1-CG2 4.3Å; V391-L393 HydrophobicContact CG1-CG 4.47Å; V391-C417 CarbonylContact C-O 3.58Å; V391-C417 WeakPolarHBondContact CA-O 3.18Å; V391-F437 HydrophobicContact CG1-CE1 4.3Å; V391-F437 HydrophobicContact CG1-CZ 4.25Å; V391-L443 HydrophobicContact CG1-CD1 4.5Å; V391-L443 HydrophobicContact CG1-CD2 4.12Å
392	C	97.8	Very high	96.4	Very high	4 Å²	4	16.9 Å²	16.9	3%	0.027	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	116.9	176.8	-170.2	0	0	0	0	111.1	V406 C417 A418 I419	C392-V406 HydrophobicContact CB-CG2 3.47Å; C392-V406 VanDerWaalsContact CB-CG2 3.47Å; C392-C417 PolarHBondContact N-O 3.25Å; C392-A418 HydrophobicContact CB-CB 4.16Å; C392-A418 WeakPolarHBondContact O-CA 3.47Å; C392-I419 PolarHBondContact O-N 3.21Å
393	L	96.6	Very high	96.2	Very high	3 Å²	3	14.6 Å²	14.6	2%	0.016	8%	0.083	C	C	.	.			trans	-100.9	0.5	176.3	-69.8	165.7	0	0	0	113.1	F319 I321 L322 V391 K395 I419 F437	F319-L393 HydrophobicContact CB-CD1 4.37Å; F319-L393 HydrophobicContact CD1-CD1 3.78Å; F319-L393 HydrophobicContact CD2-CD1 3.85Å; F319-L393 HydrophobicContact CE1-CD1 3.86Å; F319-L393 HydrophobicContact CE2-CD1 3.91Å; F319-L393 HydrophobicContact CG-CD1 3.76Å; F319-L393 HydrophobicContact CZ-CD1 3.92Å; I321-L393 HydrophobicContact CB-CD2 3.98Å; I321-L393 HydrophobicContact CG2-CD2 4.02Å; L322-L393 HydrophobicContact CB-CD1 3.88Å; V391-L393 HydrophobicContact CG1-CG 4.47Å; L393-K395 PolarHBondContact O-N 3.27Å; L393-I419 VanDerWaalsContact C-CG2 3.45Å; L393-I419 HydrophobicContact CD2-CD1 4.29Å; L393-I419 WeakPolarHBondContact O-CG2 3.38Å; L393-F437 HydrophobicContact CD2-CE2 3.98Å; L393-F437 HydrophobicContact CD2-CZ 3.79Å
394	H	92.9	Very high	95.9	Very high	35 Å²	35	17.8 Å²	17.8	16%	0.162	10%	0.099	C	C	.	.			trans	-69.8	126.4	-177	-179	86	0	0	0	111	D316 E317 P403 F421	D316-H394 IonicContact OD2-CE1 2.86Å; D316-H394 PolarHBondContact OD2-CE1 2.99Å; D316-H394 VanDerWaalsContact OD2-CE1 3.28Å; D316-H394 IonicContact OD2-ND1 3.77Å; D316-H394 PolarHBondContact OD2-ND1 2.82Å; D316-H394 VanDerWaalsContact OD2-ND1 3.09Å; E317-H394 HydrophobicContact CG-CB 4.22Å; H394-P403 HydrophobicContact CB-CB 4.24Å; H394-F421 WeakPolarHBondContact O-CE1 3.46Å
395	K	92.1	Very high	95.6	Very high	84 Å²	84	19.4 Å²	19.4	37%	0.365	11%	0.106	S	C	.	.			trans	-110.9	132.5	171.1	-71.3	178.2	176.7	164.9	0	110.5	L393 S397 I419 F421	L393-K395 PolarHBondContact O-N 3.27Å; K395-S397 PolarHBondContact O-N 2.89Å; K395-I419 HydrophobicContact CD-CG2 4.44Å; K395-I419 VanDerWaalsContact CE-CG1 3.47Å; K395-I419 HydrophobicContact CG-CG2 3.7Å; K395-F421 HydrophobicContact CG-CD1 4.45Å
396	S	92.8	Very high	95.5	Very high	13 Å²	13	19.3 Å²	19.3	9%	0.091	11%	0.105	C	C	.	.			trans	-56.3	129.1	168.2	173.5	0	0	0	0	112.2	S398 G399 L400 D401	S396-S398 PolarHBondContact O-N 2.77Å; S396-S398 PolarHBondContact OG-N 3.17Å; S396-S398 PolarHBondContact OG-OG 2.89Å; S396-G399 PolarHBondContact O-N 3.43Å; S396-G399 VanDerWaalsContact OG-C 3.31Å; S396-G399 VanDerWaalsContact OG-CA 3.26Å; S396-G399 WeakPolarHBondContact OG-CA 3.41Å; S396-G399 PolarHBondContact OG-N 3.26Å; S396-L400 PolarHBondContact OG-N 2.96Å; S396-D401 WeakPolarHBondContact CA-OD1 3.38Å; S396-D401 WeakPolarHBondContact CB-O 3.41Å; S396-D401 WeakPolarHBondContact CB-OD1 3.49Å; S396-D401 PolarHBondContact OG-N 3.5Å; S396-D401 PolarHBondContact OG-OD1 3.22Å
397	S	92.4	Very high	95.4	Very high	34 Å²	34	19.2 Å²	19.2	24%	0.238	10%	0.104	C	C	.	.	S	Bend	trans	-63.2	-28.9	174.7	74.4	0	0	0	0	113.5	N186 T190 I191 K395	N186-S397 PolarHBondContact ND2-OG 3.36Å; N186-S397 PolarHBondContact OD1-OG 3.5Å; T190-S397 WeakPolarHBondContact CB-OG 3.46Å; T190-S397 PolarHBondContact OG1-OG 3.44Å; I191-S397 VanDerWaalsContact CD1-OG 3.26Å; I191-S397 WeakPolarHBondContact CD1-OG 3.44Å; K395-S397 PolarHBondContact O-N 2.89Å
398	S	94.1	Very high	95.2	Very high	32 Å²	32	20.6 Å²	20.6	22%	0.224	11%	0.111	C	C	.	.	S	Bend	trans	-98.2	-15.4	176.7	54.4	0	0	0	0	113.2	N186 S396 L400	N186-S398 WeakPolarHBondContact OD1-CB 3.29Å; N186-S398 PolarHBondContact OD1-OG 2.85Å; S396-S398 PolarHBondContact O-N 2.77Å; S396-S398 PolarHBondContact OG-N 3.17Å; S396-S398 PolarHBondContact OG-OG 2.89Å; S398-L400 VanDerWaalsContact C-N 3.27Å; S398-L400 WeakPolarHBondContact OG-CB 3.28Å; S398-L400 PolarHBondContact OG-N 3.38Å
399	G	95.8	Very high	95.2	Very high	11 Å²	11	19.9 Å²	19.9	11%	0.113	11%	0.107	C	C	.	.	S	Bend	trans	79	2.9	-164.4	0	0	0	0	0	114.3	S396 H422 C423	S396-G399 PolarHBondContact O-N 3.43Å; S396-G399 VanDerWaalsContact OG-C 3.31Å; S396-G399 VanDerWaalsContact OG-CA 3.26Å; S396-G399 WeakPolarHBondContact OG-CA 3.41Å; S396-G399 PolarHBondContact OG-N 3.26Å; G399-H422 WeakPolarHBondContact O-CB 3.39Å; G399-C423 WeakPolarHBondContact O-CB 3.34Å; G399-C423 PolarHBondContact O-N 2.93Å; G399-C423 VanDerWaalsContact O-N 3.11Å; G399-C423 PolarHBondContact O-SG 3.42Å
400	L	96.8	Very high	95.1	Very high	10 Å²	10	21 Å²	21	5%	0.052	11%	0.112	C	C	.	.			trans	-118.7	-3.9	-166.5	-55.8	174.7	0	0	0	114.9	Y187 T224 A226 M227 D230 S396 S398 C423	Y187-L400 HydrophobicContact CD2-CD1 4.43Å; Y187-L400 HydrophobicContact CE2-CD1 3.6Å; T224-L400 VanDerWaalsContact CG2-O 3.3Å; T224-L400 WeakPolarHBondContact CG2-O 3.45Å; T224-L400 PolarHBondContact OG1-O 3.25Å; A226-L400 HydrophobicContact CB-CD2 3.92Å; M227-L400 HydrophobicContact CB-CB 4.02Å; M227-L400 HydrophobicContact CG-CB 4.29Å; D230-L400 HydrophobicContact CB-CD1 3.71Å; D230-L400 HydrophobicContact CB-CD2 4.44Å; S396-L400 PolarHBondContact OG-N 2.96Å; S398-L400 VanDerWaalsContact C-N 3.27Å; S398-L400 WeakPolarHBondContact OG-CB 3.28Å; S398-L400 PolarHBondContact OG-N 3.38Å; L400-C423 VanDerWaalsContact CA-SG 3.52Å
401	D	95	Very high	94.9	Very high	28 Å²	28	21.4 Å²	21.4	15%	0.15	12%	0.116	C	C	.	.			trans	-110.2	145.2	175.3	71.6	-42.5	0	0	0	113.3	H185 N186 V223 S396 F421	H185-D401 WeakPolarHBondContact O-CB 3.08Å; N186-D401 PolarHBondContact ND2-OD1 2.95Å; N186-D401 PolarHBondContact ND2-OD2 3.02Å; V223-D401 HydrophobicContact CG2-CB 3.99Å; S396-D401 WeakPolarHBondContact CA-OD1 3.38Å; S396-D401 WeakPolarHBondContact CB-O 3.41Å; S396-D401 WeakPolarHBondContact CB-OD1 3.49Å; S396-D401 PolarHBondContact OG-N 3.5Å; S396-D401 PolarHBondContact OG-OD1 3.22Å; D401-F421 WeakPolarHBondContact O-CE2 3.5Å; D401-F421 WeakPolarHBondContact O-CZ 3.13Å
402	L	95.3	Very high	94.8	Very high	21 Å²	21	21.4 Å²	21.4	11%	0.11	12%	0.116	C	C	.	.			trans	-91.4	148.4	-176.9	-71.7	171.1	0	0	0	111.7	T224 Y243 M404 C423 E426 L427	T224-L402 HydrophobicContact CG2-CB 4.49Å; T224-L402 HydrophobicContact CG2-CD1 3.66Å; T224-L402 HydrophobicContact CG2-CD2 4.33Å; T224-L402 HydrophobicContact CG2-CG 3.48Å; T224-L402 VanDerWaalsContact CG2-CG 3.48Å; Y243-L402 HydrophobicContact CD1-CD1 4.19Å; Y243-L402 HydrophobicContact CE1-CD1 4.3Å; L402-M404 PolarHBondContact O-N 3.46Å; L402-M404 VanDerWaalsContact O-N 3.15Å; L402-C423 WeakPolarHBondContact CD2-O 3.39Å; L402-E426 HydrophobicContact CD1-CB 4.38Å; L402-L427 HydrophobicContact CB-CD2 4.32Å; L402-L427 HydrophobicContact CD1-CB 4.04Å; L402-L427 HydrophobicContact CD2-CB 3.7Å; L402-L427 HydrophobicContact CG-CB 4.35Å
403	P	93.6	Very high	94.8	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.019	12%	0.115	C	C	.	.			trans	-77.2	108	-179	29.4	-26.8	0	0	0	110	H394 K405 V406 V407 L424 L427	H394-P403 HydrophobicContact CB-CB 4.24Å; P403-K405 PolarHBondContact O-N 3.32Å; P403-V406 HydrophobicContact CB-CG2 4.17Å; P403-V406 HydrophobicContact CG-CB 3.99Å; P403-V406 HydrophobicContact CG-CG2 3.67Å; P403-V406 PolarHBondContact O-N 3.03Å; P403-V407 PolarHBondContact O-N 3.28Å; P403-L424 HydrophobicContact CG-CD1 4.13Å; P403-L427 HydrophobicContact CG-CD2 4.19Å
404	M	91.3	Very high	94.8	Very high	67 Å²	67	21 Å²	21	33%	0.33	11%	0.114	S	C	.	.	H	α-helix	trans	-53.4	-31.1	177.2	-66.6	-57.3	-61.8	0	0	113.6	D244 L402 V406 V407 D408	D244-M404 HydrophobicContact CB-CE 3.61Å; D244-M404 HydrophobicContact CB-SD 3.42Å; D244-M404 WeakPolarHBondContact CB-SD 3.42Å; D244-M404 WeakPolarHBondContact OD1-CE 3.19Å; L402-M404 PolarHBondContact O-N 3.46Å; L402-M404 VanDerWaalsContact O-N 3.15Å; M404-V406 VanDerWaalsContact C-N 3.29Å; M404-V406 PolarHBondContact O-N 3.27Å; M404-V407 WeakPolarHBondContact O-CA 3.35Å; M404-V407 VanDerWaalsContact O-CB 3.29Å; M404-V407 WeakPolarHBondContact O-CB 3.4Å; M404-V407 PolarHBondContact O-N 3.16Å; M404-V407 VanDerWaalsContact O-N 3.09Å; M404-V407 HydrophobicContact SD-CG2 4.47Å; M404-D408 PolarHBondContact O-N 3.2Å
405	K	92.4	Very high	95.1	Very high	34 Å²	34	19.4 Å²	19.4	15%	0.148	11%	0.106	C	C	.	.	H	α-helix	trans	-61	-37	176.3	-61.7	172.7	176	120.6	0	112.2	S310 S312 E317 P403 D408 M409	S310-K405 WeakPolarHBondContact O-CD 3.34Å; S310-K405 WeakPolarHBondContact O-CE 3.41Å; S312-K405 PolarHBondContact OG-NZ 3.42Å; E317-K405 IonicContact OE1-NZ 3.93Å; E317-K405 PolarHBondContact OE1-NZ 3.12Å; E317-K405 IonicContact OE2-NZ 2.97Å; P403-K405 PolarHBondContact O-N 3.32Å; K405-D408 PolarHBondContact O-N 3.06Å; K405-M409 WeakPolarHBondContact O-CG 3.46Å; K405-M409 PolarHBondContact O-N 3.48Å
406	V	96.4	Very high	95.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-71.5	-35	175.7	174.9	0	0	0	0	110.7	C392 P403 M404 D408 M409 F410 V416 L427 V428	C392-V406 HydrophobicContact CB-CG2 3.47Å; C392-V406 VanDerWaalsContact CB-CG2 3.47Å; P403-V406 HydrophobicContact CB-CG2 4.17Å; P403-V406 HydrophobicContact CG-CB 3.99Å; P403-V406 HydrophobicContact CG-CG2 3.67Å; P403-V406 PolarHBondContact O-N 3.03Å; M404-V406 VanDerWaalsContact C-N 3.29Å; M404-V406 PolarHBondContact O-N 3.27Å; V406-D408 VanDerWaalsContact C-N 3.32Å; V406-D408 PolarHBondContact O-N 2.87Å; V406-M409 PolarHBondContact O-N 3.41Å; V406-F410 HydrophobicContact CG1-CD1 4.26Å; V406-F410 HydrophobicContact CG1-CD2 4Å; V406-F410 HydrophobicContact CG1-CE1 4.06Å; V406-F410 HydrophobicContact CG1-CE2 3.74Å; V406-F410 HydrophobicContact CG1-CG 4.27Å; V406-F410 HydrophobicContact CG1-CZ 3.79Å; V406-F410 WeakPolarHBondContact O-CB 3.47Å; V406-F410 WeakPolarHBondContact O-CG 3.43Å; V406-F410 PolarHBondContact O-N 3.12Å; V406-V416 HydrophobicContact CG1-CG1 4.28Å; V406-V416 HydrophobicContact CG1-CG2 3.9Å; V406-V416 HydrophobicContact CG2-CG2 4.48Å; V406-L427 HydrophobicContact CB-CD2 3.66Å; V406-L427 HydrophobicContact CG1-CD2 3.58Å; V406-L427 HydrophobicContact CG1-CG 3.9Å; V406-V428 HydrophobicContact CG1-CG2 3.86Å
407	V	94.9	Very high	95.7	Very high	6 Å²	6	14.8 Å²	14.8	4%	0.036	9%	0.085	C	C	.	.	H	α-helix	trans	-58	-46.8	173.1	-177.3	0	0	0	0	110.2	P246 P403 M404 F410 G411 L427	P246-V407 HydrophobicContact CB-CG1 4.17Å; P246-V407 HydrophobicContact CG-CG1 4.4Å; P403-V407 PolarHBondContact O-N 3.28Å; M404-V407 WeakPolarHBondContact O-CA 3.35Å; M404-V407 VanDerWaalsContact O-CB 3.29Å; M404-V407 WeakPolarHBondContact O-CB 3.4Å; M404-V407 PolarHBondContact O-N 3.16Å; M404-V407 VanDerWaalsContact O-N 3.09Å; M404-V407 HydrophobicContact SD-CG2 4.47Å; V407-F410 PolarHBondContact O-N 3.4Å; V407-G411 PolarHBondContact O-N 3.08Å; V407-L427 HydrophobicContact CG2-CD1 4.12Å; V407-L427 HydrophobicContact CG2-CD2 3.87Å
408	D	94.8	Very high	96	Very high	29 Å²	29	13.2 Å²	13.2	16%	0.155	7%	0.074	C	C	.	.	H	α-helix	trans	-60.9	-46.6	175.7	-64.9	-14.5	0	0	0	112.1	F250 L384 M404 K405 V406 F410 G411 C412	F250-D408 HydrophobicContact CD1-CB 3.84Å; F250-D408 HydrophobicContact CD2-CB 4.27Å; F250-D408 HydrophobicContact CE1-CB 3.67Å; F250-D408 HydrophobicContact CE2-CB 4.12Å; F250-D408 WeakPolarHBondContact CE2-OD1 3.26Å; F250-D408 HydrophobicContact CG-CB 4.14Å; F250-D408 HydrophobicContact CZ-CB 3.81Å; F250-D408 WeakPolarHBondContact CZ-OD2 3.16Å; L384-D408 HydrophobicContact CD1-CB 3.84Å; M404-D408 PolarHBondContact O-N 3.2Å; K405-D408 PolarHBondContact O-N 3.06Å; V406-D408 VanDerWaalsContact C-N 3.32Å; V406-D408 PolarHBondContact O-N 2.87Å; D408-F410 VanDerWaalsContact C-N 3.34Å; D408-F410 PolarHBondContact O-N 3.45Å; D408-G411 PolarHBondContact O-N 3.04Å; D408-C412 PolarHBondContact O-N 3.17Å; D408-C412 VanDerWaalsContact O-N 3.17Å
409	M	97.4	Very high	96.1	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-58.7	-44.6	177	-68.2	176	-177.5	0	0	111.4	L384 K405 V406 G411 C412 C413 L414 V416	L384-M409 HydrophobicContact CD1-CG 4.36Å; L384-M409 HydrophobicContact CD2-CE 4.3Å; L384-M409 HydrophobicContact CD2-CG 4.05Å; K405-M409 WeakPolarHBondContact O-CG 3.46Å; K405-M409 PolarHBondContact O-N 3.48Å; V406-M409 PolarHBondContact O-N 3.41Å; M409-G411 PolarHBondContact O-N 2.86Å; M409-C412 CarbonylContact O-C 3.51Å; M409-C412 WeakPolarHBondContact O-CA 3.48Å; M409-C412 WeakPolarHBondContact O-CB 3.42Å; M409-C412 PolarHBondContact O-N 3.39Å; M409-C413 PolarHBondContact O-N 2.9Å; M409-L414 HydrophobicContact CB-CB 4.15Å; M409-L414 HydrophobicContact CB-CD2 4.07Å; M409-L414 HydrophobicContact CB-CG 4.37Å; M409-L414 HydrophobicContact CG-CD2 3.88Å; M409-L414 VanDerWaalsContact O-CB 3.26Å; M409-L414 WeakPolarHBondContact O-CB 3.47Å; M409-L414 PolarHBondContact O-N 3.47Å; M409-L414 HydrophobicContact SD-CD2 4.4Å; M409-V416 HydrophobicContact CB-CG1 3.82Å; M409-V416 HydrophobicContact CG-CG1 4.32Å; M409-V416 HydrophobicContact SD-CG1 3.58Å; M409-V416 VanDerWaalsContact SD-CG1 3.58Å
410	F	96.8	Very high	96.2	Very high	26 Å²	26	14.3 Å²	14.3	11%	0.114	7%	0.073	C	C	.	.	H	α-helix	trans	-67.1	-33.6	176.6	-73.4	-5.6	0	0	0	113.1	V406 V407 D408 C412 C413 L414 V416 L427 V428 N433 L468	V406-F410 HydrophobicContact CG1-CD1 4.26Å; V406-F410 HydrophobicContact CG1-CD2 4Å; V406-F410 HydrophobicContact CG1-CE1 4.06Å; V406-F410 HydrophobicContact CG1-CE2 3.74Å; V406-F410 HydrophobicContact CG1-CG 4.27Å; V406-F410 HydrophobicContact CG1-CZ 3.79Å; V406-F410 WeakPolarHBondContact O-CB 3.47Å; V406-F410 WeakPolarHBondContact O-CG 3.43Å; V406-F410 PolarHBondContact O-N 3.12Å; V407-F410 PolarHBondContact O-N 3.4Å; D408-F410 VanDerWaalsContact C-N 3.34Å; D408-F410 PolarHBondContact O-N 3.45Å; F410-C412 PolarHBondContact O-N 2.93Å; F410-C413 WeakPolarHBondContact O-CA 3.32Å; F410-C413 PolarHBondContact O-N 2.86Å; F410-L414 WeakPolarHBondContact CD1-O 3.29Å; F410-V416 HydrophobicContact CD1-CG1 4.26Å; F410-V416 HydrophobicContact CE1-CB 4.3Å; F410-V416 HydrophobicContact CE1-CG1 3.86Å; F410-V416 HydrophobicContact CE1-CG2 3.67Å; F410-V416 HydrophobicContact CZ-CG2 3.8Å; F410-L427 HydrophobicContact CD2-CD1 3.92Å; F410-L427 HydrophobicContact CD2-CG 4.32Å; F410-L427 HydrophobicContact CE2-CD1 4.1Å; F410-L427 HydrophobicContact CE2-CG 4.07Å; F410-L427 WeakPolarHBondContact CE2-O 3.48Å; F410-V428 HydrophobicContact CE2-CG2 4.37Å; F410-V428 HydrophobicContact CZ-CG2 4.11Å; F410-N433 HydrophobicContact CZ-CB 4.17Å; F410-L468 HydrophobicContact CB-CD2 3.96Å; F410-L468 HydrophobicContact CD1-CD1 3.84Å; F410-L468 HydrophobicContact CD1-CD2 3.56Å; F410-L468 HydrophobicContact CD1-CG 4.37Å; F410-L468 HydrophobicContact CD2-CD2 4.03Å; F410-L468 HydrophobicContact CE1-CD1 4.1Å; F410-L468 HydrophobicContact CE1-CD2 3.92Å; F410-L468 HydrophobicContact CE2-CD2 4.37Å; F410-L468 HydrophobicContact CG-CD2 3.6Å; F410-L468 HydrophobicContact CZ-CD2 4.32Å
411	G	95.1	Very high	96.2	Very high	8 Å²	8	14.7 Å²	14.7	8%	0.082	7%	0.074	C	C	.	.	H	α-helix	trans	-55.5	-38.9	168.6	0	0	0	0	0	112.2	F250 R251 V407 D408 M409 C413	F250-G411 CarbonylContact C-O 3.54Å; F250-G411 CarbonylContact O-C 3.58Å; F250-G411 VanDerWaalsContact O-C 3.32Å; R251-G411 WeakPolarHBondContact CA-O 3.31Å; V407-G411 PolarHBondContact O-N 3.08Å; D408-G411 PolarHBondContact O-N 3.04Å; M409-G411 PolarHBondContact O-N 2.86Å; G411-C413 PolarHBondContact O-N 2.95Å
412	C	96.8	Very high	96.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	4.7	173.9	-69.3	0	0	0	0	114.9	R251 E252 L384 D408 M409 F410 L414	R251-C412 PolarHBondContact N-SG 2.83Å; R251-C412 VanDerWaalsContact N-SG 3.36Å; R251-C412 PolarHBondContact O-SG 2.88Å; E252-C412 WeakPolarHBondContact CG-O 3.47Å; L384-C412 HydrophobicContact CB-CB 4.11Å; D408-C412 PolarHBondContact O-N 3.17Å; D408-C412 VanDerWaalsContact O-N 3.17Å; M409-C412 CarbonylContact O-C 3.51Å; M409-C412 WeakPolarHBondContact O-CA 3.48Å; M409-C412 WeakPolarHBondContact O-CB 3.42Å; M409-C412 PolarHBondContact O-N 3.39Å; F410-C412 PolarHBondContact O-N 2.93Å; C412-L414 HydrophobicContact CB-CB 4.46Å; C412-L414 PolarHBondContact O-N 2.96Å
413	C	96.9	Very high	96.3	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	35.2	-171.7	-56.4	0	0	0	0	112.4	E252 M409 F410 G411 P415 R465 L468 R469 R472	E252-C413 HydrophobicContact CG-CB 3.74Å; E252-C413 VanDerWaalsContact OE1-CB 3.24Å; E252-C413 WeakPolarHBondContact OE1-CB 3.28Å; E252-C413 PolarHBondContact OE1-SG 3.25Å; E252-C413 VanDerWaalsContact OE1-SG 3.38Å; M409-C413 PolarHBondContact O-N 2.9Å; F410-C413 WeakPolarHBondContact O-CA 3.32Å; F410-C413 PolarHBondContact O-N 2.86Å; G411-C413 PolarHBondContact O-N 2.95Å; C413-P415 WeakPolarHBondContact O-CD 3.48Å; C413-R465 HydrophobicContact CB-CG 4.46Å; C413-R465 WeakPolarHBondContact O-CG 3.46Å; C413-R465 PolarHBondContact O-NH1 2.81Å; C413-L468 HydrophobicContact CB-CB 4.25Å; C413-R469 HydrophobicContact CB-CG 4.15Å; C413-R472 PolarHBondContact SG-NH2 2.96Å; C413-R472 VanDerWaalsContact SG-NH2 3.36Å
414	L	98.1	Very high	96.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.087	C	C	.	.			trans	-92	112.6	176.5	177.9	63.6	0	0	0	108.9	I308 L384 A387 D388 M409 F410 C412	I308-L414 HydrophobicContact CG2-CD2 3.58Å; L384-L414 HydrophobicContact CD2-CD2 4.35Å; A387-L414 HydrophobicContact CB-CD1 3.84Å; A387-L414 HydrophobicContact CB-CD2 4Å; A387-L414 VanDerWaalsContact O-CD1 3.24Å; A387-L414 WeakPolarHBondContact O-CD1 3.31Å; D388-L414 VanDerWaalsContact C-CD1 3.49Å; M409-L414 HydrophobicContact CB-CB 4.15Å; M409-L414 HydrophobicContact CB-CD2 4.07Å; M409-L414 HydrophobicContact CB-CG 4.37Å; M409-L414 HydrophobicContact CG-CD2 3.88Å; M409-L414 VanDerWaalsContact O-CB 3.26Å; M409-L414 WeakPolarHBondContact O-CB 3.47Å; M409-L414 PolarHBondContact O-N 3.47Å; M409-L414 HydrophobicContact SD-CD2 4.4Å; F410-L414 WeakPolarHBondContact CD1-O 3.29Å; C412-L414 HydrophobicContact CB-CB 4.46Å; C412-L414 PolarHBondContact O-N 2.96Å
415	P	98.1	Very high	96.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.099	C	C	.	.			trans	-59.1	152.8	171.4	-22.1	34.8	0	0	0	110.9	L389 G390 C413 L461 F464 R465 L468	L389-P415 HydrophobicContact CD1-CB 4.41Å; L389-P415 WeakPolarHBondContact CD1-O 3.35Å; G390-P415 PolarHBondContact N-O 3.5Å; C413-P415 WeakPolarHBondContact O-CD 3.48Å; P415-L461 HydrophobicContact CB-CD1 4.03Å; P415-L461 HydrophobicContact CG-CD1 4.03Å; P415-F464 HydrophobicContact CB-CB 3.78Å; P415-F464 HydrophobicContact CB-CD2 4.23Å; P415-F464 HydrophobicContact CG-CB 3.76Å; P415-R465 HydrophobicContact CG-CB 4.06Å; P415-L468 HydrophobicContact CG-CD1 4.27Å
416	V	98.4	Very high	96.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	149.1	-178.2	-54.6	0	0	0	0	112.7	G390 V406 M409 F410 A418 V428 G434 L435	G390-V416 CarbonylContact O-C 3.48Å; G390-V416 VanDerWaalsContact O-CA 3.26Å; G390-V416 WeakPolarHBondContact O-CA 3.44Å; V406-V416 HydrophobicContact CG1-CG1 4.28Å; V406-V416 HydrophobicContact CG1-CG2 3.9Å; V406-V416 HydrophobicContact CG2-CG2 4.48Å; M409-V416 HydrophobicContact CB-CG1 3.82Å; M409-V416 HydrophobicContact CG-CG1 4.32Å; M409-V416 HydrophobicContact SD-CG1 3.58Å; M409-V416 VanDerWaalsContact SD-CG1 3.58Å; F410-V416 HydrophobicContact CD1-CG1 4.26Å; F410-V416 HydrophobicContact CE1-CB 4.3Å; F410-V416 HydrophobicContact CE1-CG1 3.86Å; F410-V416 HydrophobicContact CE1-CG2 3.67Å; F410-V416 HydrophobicContact CZ-CG2 3.8Å; V416-A418 HydrophobicContact CG2-CB 4.3Å; V416-V428 HydrophobicContact CG2-CG1 4.28Å; V416-V428 HydrophobicContact CG2-CG2 3.91Å; V416-G434 CarbonylContact O-C 3.59Å; V416-G434 WeakPolarHBondContact O-CA 3.47Å; V416-L435 PolarHBondContact O-N 2.83Å
417	C	98.8	Very high	96.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	124.8	152.1	-64.5	0	0	0	0	107.8	G390 V391 C392 L435 F437 L443	G390-C417 PolarHBondContact O-N 2.92Å; V391-C417 CarbonylContact C-O 3.58Å; V391-C417 WeakPolarHBondContact CA-O 3.18Å; C392-C417 PolarHBondContact N-O 3.25Å; C417-L435 CarbonylContact C-O 3.39Å; C417-L435 VanDerWaalsContact CA-O 3.31Å; C417-L435 WeakPolarHBondContact CA-O 3.32Å; C417-F437 HydrophobicContact CB-CD1 3.93Å; C417-F437 HydrophobicContact CB-CE1 3.96Å; C417-L443 HydrophobicContact CB-CD1 3.68Å
418	A	98.4	Very high	97	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.008	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	138.8	-177.1	0	0	0	0	0	112.5	C392 V416 L424 V428 L435 I436 F437	C392-A418 HydrophobicContact CB-CB 4.16Å; C392-A418 WeakPolarHBondContact O-CA 3.47Å; V416-A418 HydrophobicContact CG2-CB 4.3Å; A418-L424 HydrophobicContact CB-CD1 4.17Å; A418-L424 HydrophobicContact CB-CD2 3.91Å; A418-V428 HydrophobicContact CB-CG2 4Å; A418-L435 PolarHBondContact N-O 2.9Å; A418-I436 VanDerWaalsContact O-CA 3.26Å; A418-I436 WeakPolarHBondContact O-CA 3.42Å; A418-F437 WeakPolarHBondContact O-CD1 3.36Å; A418-F437 PolarHBondContact O-N 3.35Å
419	I	97.9	Very high	97.1	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.021	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	131.5	-178.4	-163.8	162.7	0	0	0	111.4	I321 C392 L393 K395 F421 L424 F437	I321-I419 HydrophobicContact CD1-CD1 3.46Å; I321-I419 VanDerWaalsContact CD1-CD1 3.46Å; C392-I419 PolarHBondContact O-N 3.21Å; L393-I419 VanDerWaalsContact C-CG2 3.45Å; L393-I419 HydrophobicContact CD2-CD1 4.29Å; L393-I419 WeakPolarHBondContact O-CG2 3.38Å; K395-I419 HydrophobicContact CD-CG2 4.44Å; K395-I419 VanDerWaalsContact CE-CG1 3.47Å; K395-I419 HydrophobicContact CG-CG2 3.7Å; I419-F421 WeakPolarHBondContact O-CD1 3.38Å; I419-F421 PolarHBondContact O-N 3.02Å; I419-L424 VanDerWaalsContact O-CD2 3.29Å; I419-L424 WeakPolarHBondContact O-CD2 3.2Å; I419-F437 CarbonylContact C-O 3.57Å; I419-F437 WeakPolarHBondContact CA-O 3.4Å; I419-F437 HydrophobicContact CB-CD2 4.34Å; I419-F437 HydrophobicContact CB-CE1 4.37Å; I419-F437 HydrophobicContact CB-CE2 3.68Å; I419-F437 HydrophobicContact CB-CZ 3.71Å; I419-F437 HydrophobicContact CD1-CE2 3.95Å; I419-F437 HydrophobicContact CG1-CD2 4.19Å; I419-F437 HydrophobicContact CG1-CE2 3.77Å; I419-F437 HydrophobicContact CG1-CZ 4.33Å
420	H	97.6	Very high	97.1	Very high	63 Å²	63	30.4 Å²	30.4	29%	0.292	14%	0.144	S	C	.	.			trans	-62.1	132.8	-173.7	176.1	-87.6	0	0	0	113.4	I436 F437 R438	H420-I436 HydrophobicContact CB-CG2 3.62Å; H420-F437 PolarHBondContact N-O 3.22Å; H420-R438 HydrophobicContact CB-CG 4.06Å
421	F	95.9	Very high	97.2	Very high	17 Å²	17	33.7 Å²	33.7	8%	0.075	16%	0.16	C	C	.	.			trans	-154.9	170.2	160.8	65.2	-89.2	0	0	0	110.2	H394 K395 D401 I419 C423 L424	H394-F421 WeakPolarHBondContact O-CE1 3.46Å; K395-F421 HydrophobicContact CG-CD1 4.45Å; D401-F421 WeakPolarHBondContact O-CE2 3.5Å; D401-F421 WeakPolarHBondContact O-CZ 3.13Å; I419-F421 WeakPolarHBondContact O-CD1 3.38Å; I419-F421 PolarHBondContact O-N 3.02Å; F421-C423 VanDerWaalsContact CE2-SG 3.56Å; F421-C423 PolarHBondContact O-N 2.81Å; F421-L424 HydrophobicContact CD1-CB 4.08Å; F421-L424 HydrophobicContact CD1-CD2 4.49Å; F421-L424 HydrophobicContact CD2-CB 4.43Å; F421-L424 HydrophobicContact CE1-CB 3.96Å; F421-L424 HydrophobicContact CE1-CD1 3.84Å; F421-L424 HydrophobicContact CE1-CD2 4.48Å; F421-L424 HydrophobicContact CE1-CG 4.31Å; F421-L424 HydrophobicContact CE2-CB 4.31Å; F421-L424 HydrophobicContact CG-CB 4.33Å; F421-L424 HydrophobicContact CZ-CB 4.09Å; F421-L424 HydrophobicContact CZ-CD1 4.14Å; F421-L424 WeakPolarHBondContact O-CB 3.47Å; F421-L424 PolarHBondContact O-N 3.38Å; F421-L424 VanDerWaalsContact O-N 3.16Å
422	H	95.1	Very high	97.3	Very high	117 Å²	117	36 Å²	36	54%	0.542	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-54.6	-162.2	174.5	-100.7	0	0	0	116.2	G399	G399-H422 WeakPolarHBondContact O-CB 3.39Å
423	C	96.8	Very high	97.3	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.007	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	2.1	-176.8	70.1	0	0	0	0	115.1	T224 A226 G399 L400 L402 F421 Q425 E426	T224-C423 HydrophobicContact CG2-CB 4.36Å; A226-C423 HydrophobicContact CB-CB 3.52Å; G399-C423 WeakPolarHBondContact O-CB 3.34Å; G399-C423 PolarHBondContact O-N 2.93Å; G399-C423 VanDerWaalsContact O-N 3.11Å; G399-C423 PolarHBondContact O-SG 3.42Å; L400-C423 VanDerWaalsContact CA-SG 3.52Å; L402-C423 WeakPolarHBondContact CD2-O 3.39Å; F421-C423 VanDerWaalsContact CE2-SG 3.56Å; F421-C423 PolarHBondContact O-N 2.81Å; C423-Q425 PolarHBondContact O-N 2.83Å; C423-Q425 VanDerWaalsContact O-N 3.09Å; C423-E426 WeakPolarHBondContact O-CB 3.35Å; C423-E426 PolarHBondContact O-N 3.16Å
424	L	97.3	Very high	97.3	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-55.8	-35.1	-172.4	177.6	65.3	0	0	0	113.3	P403 A418 I419 F421 E426 L427 V428 I436	P403-L424 HydrophobicContact CG-CD1 4.13Å; A418-L424 HydrophobicContact CB-CD1 4.17Å; A418-L424 HydrophobicContact CB-CD2 3.91Å; I419-L424 VanDerWaalsContact O-CD2 3.29Å; I419-L424 WeakPolarHBondContact O-CD2 3.2Å; F421-L424 HydrophobicContact CD1-CB 4.08Å; F421-L424 HydrophobicContact CD1-CD2 4.49Å; F421-L424 HydrophobicContact CD2-CB 4.43Å; F421-L424 HydrophobicContact CE1-CB 3.96Å; F421-L424 HydrophobicContact CE1-CD1 3.84Å; F421-L424 HydrophobicContact CE1-CD2 4.48Å; F421-L424 HydrophobicContact CE1-CG 4.31Å; F421-L424 HydrophobicContact CE2-CB 4.31Å; F421-L424 HydrophobicContact CG-CB 4.33Å; F421-L424 HydrophobicContact CZ-CB 4.09Å; F421-L424 HydrophobicContact CZ-CD1 4.14Å; F421-L424 WeakPolarHBondContact O-CB 3.47Å; F421-L424 PolarHBondContact O-N 3.38Å; F421-L424 VanDerWaalsContact O-N 3.16Å; L424-E426 PolarHBondContact O-N 3.11Å; L424-E426 VanDerWaalsContact O-N 3.14Å; L424-L427 PolarHBondContact O-N 3Å; L424-V428 HydrophobicContact CD1-CB 4.33Å; L424-V428 HydrophobicContact CD1-CG2 3.83Å; L424-V428 HydrophobicContact CG-CB 4.24Å; L424-V428 HydrophobicContact CG-CG2 4.29Å; L424-V428 PolarHBondContact O-N 3.36Å; L424-I436 HydrophobicContact CD2-CD1 4.29Å; L424-I436 HydrophobicContact CD2-CG1 4.16Å; L424-I436 HydrophobicContact CD2-CG2 4.03Å
425	Q	96.9	Very high	97.4	Very high	124 Å²	124	36.5 Å²	36.5	58%	0.579	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-62.6	-15.3	-178.9	67.1	-145.4	6.7	0	0	114.5	C423 L427 V428	C423-Q425 PolarHBondContact O-N 2.83Å; C423-Q425 VanDerWaalsContact O-N 3.09Å; Q425-L427 PolarHBondContact O-N 3Å; Q425-V428 WeakPolarHBondContact CA-O 3.27Å
426	E	96.4	Very high	97.4	Very high	55 Å²	55	37.6 Å²	37.6	26%	0.257	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-71.7	-17.6	170.7	-65	-172.6	-139.6	0	0	113	T224 N225 A226 Y243 L402 C423 L424	T224-E426 WeakPolarHBondContact CB-OE2 3.34Å; N225-E426 PolarHBondContact N-OE1 2.93Å; N225-E426 PolarHBondContact N-OE2 3.13Å; A226-E426 VanDerWaalsContact CB-OE1 3.29Å; A226-E426 WeakPolarHBondContact CB-OE1 3.43Å; A226-E426 PolarHBondContact N-OE1 3.45Å; Y243-E426 HydrophobicContact CE1-CB 4.36Å; Y243-E426 WeakPolarHBondContact CE1-OE2 3.23Å; Y243-E426 PolarHBondContact OH-OE2 2.77Å; L402-E426 HydrophobicContact CD1-CB 4.38Å; C423-E426 WeakPolarHBondContact O-CB 3.35Å; C423-E426 PolarHBondContact O-N 3.16Å; L424-E426 PolarHBondContact O-N 3.11Å; L424-E426 VanDerWaalsContact O-N 3.14Å
427	L	95.8	Very high	97.4	Very high	25 Å²	25	37.6 Å²	37.6	13%	0.131	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-55.4	175.7	-176.2	60.1	0	0	0	111.2	L402 P403 V406 V407 F410 L424 Q425 N433	L402-L427 HydrophobicContact CB-CD2 4.32Å; L402-L427 HydrophobicContact CD1-CB 4.04Å; L402-L427 HydrophobicContact CD2-CB 3.7Å; L402-L427 HydrophobicContact CG-CB 4.35Å; P403-L427 HydrophobicContact CG-CD2 4.19Å; V406-L427 HydrophobicContact CB-CD2 3.66Å; V406-L427 HydrophobicContact CG1-CD2 3.58Å; V406-L427 HydrophobicContact CG1-CG 3.9Å; V407-L427 HydrophobicContact CG2-CD1 4.12Å; V407-L427 HydrophobicContact CG2-CD2 3.87Å; F410-L427 HydrophobicContact CD2-CD1 3.92Å; F410-L427 HydrophobicContact CD2-CG 4.32Å; F410-L427 HydrophobicContact CE2-CD1 4.1Å; F410-L427 HydrophobicContact CE2-CG 4.07Å; F410-L427 WeakPolarHBondContact CE2-O 3.48Å; L424-L427 PolarHBondContact O-N 3Å; Q425-L427 PolarHBondContact O-N 3Å; L427-N433 PolarHBondContact O-ND2 2.83Å; L427-N433 VanDerWaalsContact O-ND2 3.15Å
428	V	97.4	Very high	97.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.209	C	C	.	.			trans	-96.1	107.6	-177	-175	0	0	0	0	109.5	V406 F410 V416 A418 L424 Q425 H430 N433 I436	V406-V428 HydrophobicContact CG1-CG2 3.86Å; F410-V428 HydrophobicContact CE2-CG2 4.37Å; F410-V428 HydrophobicContact CZ-CG2 4.11Å; V416-V428 HydrophobicContact CG2-CG1 4.28Å; V416-V428 HydrophobicContact CG2-CG2 3.91Å; A418-V428 HydrophobicContact CB-CG2 4Å; L424-V428 HydrophobicContact CD1-CB 4.33Å; L424-V428 HydrophobicContact CD1-CG2 3.83Å; L424-V428 HydrophobicContact CG-CB 4.24Å; L424-V428 HydrophobicContact CG-CG2 4.29Å; L424-V428 PolarHBondContact O-N 3.36Å; Q425-V428 WeakPolarHBondContact CA-O 3.27Å; V428-H430 PolarHBondContact O-N 3.48Å; V428-N433 WeakPolarHBondContact CA-OD1 3.19Å; V428-I436 HydrophobicContact CB-CG1 4.34Å; V428-I436 HydrophobicContact CG1-CD1 4.46Å; V428-I436 HydrophobicContact CG1-CG1 3.87Å
429	E	97.2	Very high	97.4	Very high	109 Å²	109	48.8 Å²	48.8	51%	0.509	23%	0.228	S	C	.	.			trans	-87.6	105.6	173.1	-69.7	178.9	-141.1	0	0	108.2	E431 V432 N433	E429-E431 PolarHBondContact O-N 3.05Å; E429-V432 HydrophobicContact CB-CB 3.78Å; E429-V432 HydrophobicContact CB-CG1 4.39Å; E429-V432 HydrophobicContact CB-CG2 4.16Å; E429-V432 WeakPolarHBondContact O-CB 3.4Å; E429-V432 PolarHBondContact O-N 3.34Å; E429-N433 PolarHBondContact N-OD1 3.27Å; E429-N433 PolarHBondContact O-N 3.29Å; E429-N433 VanDerWaalsContact O-N 3.13Å; E429-N433 PolarHBondContact O-OD1 2.91Å
430	H	98.1	Very high	97.4	Very high	87 Å²	87	50.1 Å²	50.1	40%	0.403	24%	0.238	S	C	.	.	B	Isolated β-bridge	trans	-53.6	133.4	-178.7	-169.6	69.7	0	0	0	111.1	V428 V432 I436	V428-H430 PolarHBondContact O-N 3.48Å; H430-V432 PolarHBondContact O-N 3.23Å; H430-I436 HydrophobicContact CB-CD1 4.11Å; H430-I436 HydrophobicContact CB-CG1 4.27Å; H430-I436 PolarHBondContact ND1-N 3.45Å
431	E	97.7	Very high	97.4	Very high	94 Å²	94	49.2 Å²	49.2	44%	0.439	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	5.8	-177.1	-61.2	-70.3	154.1	0	0	115.1	E429 G434 L435 R460 F464	E429-E431 PolarHBondContact O-N 3.05Å; E431-G434 PolarHBondContact N-O 2.85Å; E431-L435 HydrophobicContact CG-CD2 4.26Å; E431-L435 VanDerWaalsContact OE1-CD2 3.24Å; E431-L435 WeakPolarHBondContact OE1-CD2 3.48Å; E431-R460 IonicContact OE1-CZ 3.89Å; E431-R460 IonicContact OE1-NH2 2.68Å; E431-R460 PolarHBondContact OE1-NH2 2.76Å; E431-R460 IonicContact OE2-CZ 3Å; E431-R460 IonicContact OE2-NE 3.38Å; E431-R460 IonicContact OE2-NH2 2.8Å; E431-R460 PolarHBondContact OE2-NH2 3.24Å; E431-F464 VanDerWaalsContact C-CE1 3.45Å; E431-F464 VanDerWaalsContact O-CE1 3.25Å; E431-F464 WeakPolarHBondContact O-CE1 3.29Å
432	V	97.5	Very high	97.6	Very high	57 Å²	57	51.4 Å²	51.4	35%	0.345	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-59.3	178.9	-179.7	0	0	0	0	111.3	E429 H430 F464 N467	E429-V432 HydrophobicContact CB-CB 3.78Å; E429-V432 HydrophobicContact CB-CG1 4.39Å; E429-V432 HydrophobicContact CB-CG2 4.16Å; E429-V432 WeakPolarHBondContact O-CB 3.4Å; E429-V432 PolarHBondContact O-N 3.34Å; H430-V432 PolarHBondContact O-N 3.23Å; V432-F464 VanDerWaalsContact O-CD1 3.23Å; V432-F464 WeakPolarHBondContact O-CD1 3.45Å; V432-N467 HydrophobicContact CG1-CB 4.46Å; V432-N467 WeakPolarHBondContact O-CB 3.45Å; V432-N467 PolarHBondContact O-ND2 2.97Å
433	N	96.8	Very high	97.7	Very high	10 Å²	10	45.8 Å²	45.8	5%	0.053	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-4.8	-177.1	65.3	18.7	0	0	0	113	F410 L427 V428 E429 L468	F410-N433 HydrophobicContact CZ-CB 4.17Å; L427-N433 PolarHBondContact O-ND2 2.83Å; L427-N433 VanDerWaalsContact O-ND2 3.15Å; V428-N433 WeakPolarHBondContact CA-OD1 3.19Å; E429-N433 PolarHBondContact N-OD1 3.27Å; E429-N433 PolarHBondContact O-N 3.29Å; E429-N433 VanDerWaalsContact O-N 3.13Å; E429-N433 PolarHBondContact O-OD1 2.91Å; N433-L468 HydrophobicContact CB-CD2 3.78Å; N433-L468 HydrophobicContact CB-CG 4.03Å
434	G	98	Very high	97.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.8	-170.3	-179.1	0	0	0	0	0	111.9	V416 E431	V416-G434 CarbonylContact O-C 3.59Å; V416-G434 WeakPolarHBondContact O-CA 3.47Å; E431-G434 PolarHBondContact N-O 2.85Å
435	L	98.7	Very high	97.9	Very high	1 Å²	1	50 Å²	50	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	155.5	173.9	-60.4	175.8	0	0	0	111	V416 C417 A418 E431 Q446 L450 F464	V416-L435 PolarHBondContact O-N 2.83Å; C417-L435 CarbonylContact C-O 3.39Å; C417-L435 VanDerWaalsContact CA-O 3.31Å; C417-L435 WeakPolarHBondContact CA-O 3.32Å; A418-L435 PolarHBondContact N-O 2.9Å; E431-L435 HydrophobicContact CG-CD2 4.26Å; E431-L435 VanDerWaalsContact OE1-CD2 3.24Å; E431-L435 WeakPolarHBondContact OE1-CD2 3.48Å; L435-Q446 HydrophobicContact CB-CG 4.28Å; L435-Q446 VanDerWaalsContact CB-OE1 3.28Å; L435-Q446 HydrophobicContact CD1-CB 3.8Å; L435-Q446 HydrophobicContact CD1-CG 3.72Å; L435-L450 HydrophobicContact CD1-CD1 3.77Å; L435-L450 HydrophobicContact CD1-CD2 4Å; L435-L450 HydrophobicContact CD1-CG 3.84Å; L435-L450 HydrophobicContact CG-CD1 4.48Å; L435-F464 HydrophobicContact CD1-CE2 4.47Å; L435-F464 HydrophobicContact CD2-CE2 4.11Å; L435-F464 HydrophobicContact CD2-CZ 4Å; L435-F464 HydrophobicContact CG-CE2 3.93Å; L435-F464 HydrophobicContact CG-CZ 4.33Å
436	I	98.7	Very high	98	Very high	23 Å²	23	44.8 Å²	44.8	12%	0.118	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.4	179.8	-61.1	178.3	0	0	0	105.7	A418 H420 L424 V428 H430 Q446	A418-I436 VanDerWaalsContact O-CA 3.26Å; A418-I436 WeakPolarHBondContact O-CA 3.42Å; H420-I436 HydrophobicContact CB-CG2 3.62Å; L424-I436 HydrophobicContact CD2-CD1 4.29Å; L424-I436 HydrophobicContact CD2-CG1 4.16Å; L424-I436 HydrophobicContact CD2-CG2 4.03Å; V428-I436 HydrophobicContact CB-CG1 4.34Å; V428-I436 HydrophobicContact CG1-CD1 4.46Å; V428-I436 HydrophobicContact CG1-CG1 3.87Å; H430-I436 HydrophobicContact CB-CD1 4.11Å; H430-I436 HydrophobicContact CB-CG1 4.27Å; H430-I436 PolarHBondContact ND1-N 3.45Å; I436-Q446 PolarHBondContact O-NE2 3.07Å
437	F	98.6	Very high	98.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	158	179.2	64.9	-89.2	0	0	0	111.6	I321 V391 L393 C417 A418 I419 H420 D439 E442 L443	I321-F437 HydrophobicContact CG2-CD2 4.4Å; I321-F437 HydrophobicContact CG2-CE2 3.8Å; V391-F437 HydrophobicContact CG1-CE1 4.3Å; V391-F437 HydrophobicContact CG1-CZ 4.25Å; L393-F437 HydrophobicContact CD2-CE2 3.98Å; L393-F437 HydrophobicContact CD2-CZ 3.79Å; C417-F437 HydrophobicContact CB-CD1 3.93Å; C417-F437 HydrophobicContact CB-CE1 3.96Å; A418-F437 WeakPolarHBondContact O-CD1 3.36Å; A418-F437 PolarHBondContact O-N 3.35Å; I419-F437 CarbonylContact C-O 3.57Å; I419-F437 WeakPolarHBondContact CA-O 3.4Å; I419-F437 HydrophobicContact CB-CD2 4.34Å; I419-F437 HydrophobicContact CB-CE1 4.37Å; I419-F437 HydrophobicContact CB-CE2 3.68Å; I419-F437 HydrophobicContact CB-CZ 3.71Å; I419-F437 HydrophobicContact CD1-CE2 3.95Å; I419-F437 HydrophobicContact CG1-CD2 4.19Å; I419-F437 HydrophobicContact CG1-CE2 3.77Å; I419-F437 HydrophobicContact CG1-CZ 4.33Å; H420-F437 PolarHBondContact N-O 3.22Å; F437-D439 WeakPolarHBondContact CD2-O 3.32Å; F437-E442 WeakPolarHBondContact CA-OE2 3.41Å; F437-E442 HydrophobicContact CB-CB 4.13Å; F437-E442 HydrophobicContact CB-CG 3.91Å; F437-L443 HydrophobicContact CB-CB 4.36Å; F437-L443 HydrophobicContact CD1-CB 4.37Å; F437-L443 HydrophobicContact CD1-CD1 3.87Å; F437-L443 HydrophobicContact CD2-CB 3.9Å; F437-L443 HydrophobicContact CE1-CD1 3.88Å; F437-L443 HydrophobicContact CE1-CD2 4.3Å; F437-L443 HydrophobicContact CE2-CB 4.28Å; F437-L443 HydrophobicContact CE2-CD2 4.06Å; F437-L443 HydrophobicContact CG-CB 3.96Å; F437-L443 HydrophobicContact CG-CD1 4.33Å; F437-L443 HydrophobicContact CZ-CD1 4.35Å; F437-L443 HydrophobicContact CZ-CD2 3.94Å
438	R	98	Very high	98.2	Very high	160 Å²	160	44.5 Å²	44.5	60%	0.604	22%	0.218	S	C	*	.	S	Bend	trans	-107.2	-29.5	-179.9	-65.3	175.4	178.8	-101.6	-6.5	112.8	H420 E442	H420-R438 HydrophobicContact CB-CG 4.06Å; R438-E442 WeakPolarHBondContact CB-OE2 3.25Å; R438-E442 PolarHBondContact N-OE2 3.44Å
439	D	98.4	Very high	98.2	Very high	76 Å²	76	46.6 Å²	46.6	41%	0.406	23%	0.232	S	C	.	.	S	Bend	trans	-149.2	-178.8	-174.8	58.5	44.7	0	0	0	112.4	F437 A441 E442 L443	F437-D439 WeakPolarHBondContact CD2-O 3.32Å; D439-A441 PolarHBondContact OD1-N 3.01Å; D439-E442 WeakPolarHBondContact OD1-CB 3.33Å; D439-E442 PolarHBondContact OD1-N 3.45Å; D439-L443 PolarHBondContact O-N 3.27Å; D439-L443 VanDerWaalsContact O-N 3.12Å
440	S	98.5	Very high	98.2	Very high	32 Å²	32	41.7 Å²	41.7	22%	0.224	21%	0.21	C	C	.	.	H	α-helix	trans	-67.5	-36.3	-177.1	47.9	0	0	0	0	112.9	I321 S325 L443 A444	I321-S440 VanDerWaalsContact O-CB 3.3Å; I321-S440 WeakPolarHBondContact O-CB 3.48Å; S325-S440 VanDerWaalsContact CB-O 3.25Å; S325-S440 WeakPolarHBondContact CB-O 3.18Å; S440-L443 PolarHBondContact O-N 3.11Å; S440-A444 WeakPolarHBondContact O-CB 3.37Å; S440-A444 PolarHBondContact O-N 3.47Å
441	A	98.6	Very high	98.2	Very high	43 Å²	43	37.7 Å²	37.7	36%	0.355	19%	0.191	S	C	.	.	H	α-helix	trans	-67.7	-44.9	179.9	0	0	0	0	0	110.9	D439 A444 Q445	D439-A441 PolarHBondContact OD1-N 3.01Å; A441-A444 PolarHBondContact O-N 3.47Å; A441-Q445 WeakPolarHBondContact O-CG 3.35Å; A441-Q445 PolarHBondContact O-N 3.38Å
442	E	98.7	Very high	98.1	Very high	63 Å²	63	36.1 Å²	36.1	29%	0.294	19%	0.19	S	C	.	.	H	α-helix	trans	-62.1	-44.5	175	-172.2	175.4	-170.5	0	0	111	F437 R438 D439 A444 Q445 Q446	F437-E442 WeakPolarHBondContact CA-OE2 3.41Å; F437-E442 HydrophobicContact CB-CB 4.13Å; F437-E442 HydrophobicContact CB-CG 3.91Å; R438-E442 WeakPolarHBondContact CB-OE2 3.25Å; R438-E442 PolarHBondContact N-OE2 3.44Å; D439-E442 WeakPolarHBondContact OD1-CB 3.33Å; D439-E442 PolarHBondContact OD1-N 3.45Å; E442-A444 VanDerWaalsContact C-N 3.34Å; E442-A444 PolarHBondContact O-N 2.82Å; E442-Q445 PolarHBondContact O-N 3.25Å; E442-Q446 WeakPolarHBondContact O-CB 3.31Å; E442-Q446 WeakPolarHBondContact O-CG 3.27Å; E442-Q446 PolarHBondContact O-N 3.02Å; E442-Q446 PolarHBondContact OE1-NE2 2.7Å
443	L	98.8	Very high	97.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.3	-43.5	174.9	179.5	57.2	0	0	0	111.8	I321 L322 S325 V391 C417 F437 D439 S440 Q445 Q446 L447	I321-L443 HydrophobicContact CG2-CD2 4.46Å; L322-L443 HydrophobicContact CD1-CD2 4.17Å; S325-L443 WeakPolarHBondContact OG-CD2 3.3Å; V391-L443 HydrophobicContact CG1-CD1 4.5Å; V391-L443 HydrophobicContact CG1-CD2 4.12Å; C417-L443 HydrophobicContact CB-CD1 3.68Å; F437-L443 HydrophobicContact CB-CB 4.36Å; F437-L443 HydrophobicContact CD1-CB 4.37Å; F437-L443 HydrophobicContact CD1-CD1 3.87Å; F437-L443 HydrophobicContact CD2-CB 3.9Å; F437-L443 HydrophobicContact CE1-CD1 3.88Å; F437-L443 HydrophobicContact CE1-CD2 4.3Å; F437-L443 HydrophobicContact CE2-CB 4.28Å; F437-L443 HydrophobicContact CE2-CD2 4.06Å; F437-L443 HydrophobicContact CG-CB 3.96Å; F437-L443 HydrophobicContact CG-CD1 4.33Å; F437-L443 HydrophobicContact CZ-CD1 4.35Å; F437-L443 HydrophobicContact CZ-CD2 3.94Å; D439-L443 PolarHBondContact O-N 3.27Å; D439-L443 VanDerWaalsContact O-N 3.12Å; S440-L443 PolarHBondContact O-N 3.11Å; L443-Q445 PolarHBondContact O-N 3.21Å; L443-Q446 WeakPolarHBondContact O-CB 3.32Å; L443-Q446 PolarHBondContact O-N 2.87Å; L443-L447 HydrophobicContact CD1-CG 4.22Å; L443-L447 HydrophobicContact CG-CD1 4.37Å; L443-L447 HydrophobicContact CG-CG 4.44Å; L443-L447 VanDerWaalsContact O-CG 3.31Å; L443-L447 WeakPolarHBondContact O-CG 3.37Å; L443-L447 PolarHBondContact O-N 2.81Å
444	A	98.8	Very high	97.8	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.1	-44.2	178.7	0	0	0	0	0	112.2	E328 F332 S440 A441 E442 Q446 L447 K448	E328-A444 HydrophobicContact CB-CB 3.77Å; E328-A444 HydrophobicContact CG-CB 3.87Å; F332-A444 HydrophobicContact CE2-CB 4.12Å; F332-A444 HydrophobicContact CZ-CB 4.49Å; S440-A444 WeakPolarHBondContact O-CB 3.37Å; S440-A444 PolarHBondContact O-N 3.47Å; A441-A444 PolarHBondContact O-N 3.47Å; E442-A444 VanDerWaalsContact C-N 3.34Å; E442-A444 PolarHBondContact O-N 2.82Å; A444-Q446 VanDerWaalsContact C-N 3.33Å; A444-Q446 PolarHBondContact O-N 3.02Å; A444-L447 PolarHBondContact O-N 3.21Å; A444-K448 WeakPolarHBondContact O-CB 3.31Å; A444-K448 PolarHBondContact O-N 3.16Å
445	Q	98.7	Very high	97.6	Very high	90 Å²	90	42.2 Å²	42.2	42%	0.421	22%	0.22	S	C	.	.	H	α-helix	trans	-64.5	-38.9	175.9	-66.3	-58.6	-30.1	0	0	111.9	A441 E442 L443 K448 S449	A441-Q445 WeakPolarHBondContact O-CG 3.35Å; A441-Q445 PolarHBondContact O-N 3.38Å; E442-Q445 PolarHBondContact O-N 3.25Å; L443-Q445 PolarHBondContact O-N 3.21Å; Q445-K448 PolarHBondContact O-N 2.58Å; Q445-S449 WeakPolarHBondContact O-CB 3.14Å; Q445-S449 PolarHBondContact O-N 2.79Å
446	Q	98.7	Very high	97.2	Very high	16 Å²	16	44.8 Å²	44.8	8%	0.075	24%	0.238	C	C	.	.	H	α-helix	trans	-64.5	-45.1	175.7	-71	179.1	4.8	0	0	111.6	L435 I436 E442 L443 A444 K448 S449 L450	L435-Q446 HydrophobicContact CB-CG 4.28Å; L435-Q446 VanDerWaalsContact CB-OE1 3.28Å; L435-Q446 HydrophobicContact CD1-CB 3.8Å; L435-Q446 HydrophobicContact CD1-CG 3.72Å; I436-Q446 PolarHBondContact O-NE2 3.07Å; E442-Q446 WeakPolarHBondContact O-CB 3.31Å; E442-Q446 WeakPolarHBondContact O-CG 3.27Å; E442-Q446 PolarHBondContact O-N 3.02Å; E442-Q446 PolarHBondContact OE1-NE2 2.7Å; L443-Q446 WeakPolarHBondContact O-CB 3.32Å; L443-Q446 PolarHBondContact O-N 2.87Å; A444-Q446 VanDerWaalsContact C-N 3.33Å; A444-Q446 PolarHBondContact O-N 3.02Å; Q446-K448 PolarHBondContact O-N 2.89Å; Q446-S449 PolarHBondContact O-N 2.96Å; Q446-L450 WeakPolarHBondContact O-CB 3.2Å; Q446-L450 VanDerWaalsContact O-CG 3.3Å; Q446-L450 WeakPolarHBondContact O-CG 3.34Å; Q446-L450 PolarHBondContact O-N 3.09Å
447	L	98.7	Very high	96.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-57.7	-48.6	174	-69.2	177	0	0	0	111.1	L307 L326 Y329 L389 L443 A444 S449 L450 L451	L307-L447 HydrophobicContact CD1-CD2 4.15Å; L307-L447 HydrophobicContact CD2-CD2 4.39Å; L326-L447 HydrophobicContact CD2-CD1 4.17Å; Y329-L447 HydrophobicContact CD2-CB 3.8Å; Y329-L447 HydrophobicContact CE2-CB 4.24Å; L389-L447 HydrophobicContact CD2-CD2 3.56Å; L443-L447 HydrophobicContact CD1-CG 4.22Å; L443-L447 HydrophobicContact CG-CD1 4.37Å; L443-L447 HydrophobicContact CG-CG 4.44Å; L443-L447 VanDerWaalsContact O-CG 3.31Å; L443-L447 WeakPolarHBondContact O-CG 3.37Å; L443-L447 PolarHBondContact O-N 2.81Å; A444-L447 PolarHBondContact O-N 3.21Å; L447-S449 VanDerWaalsContact C-N 3.35Å; L447-S449 PolarHBondContact O-N 2.95Å; L447-L450 PolarHBondContact O-N 3.3Å; L447-L451 VanDerWaalsContact O-CB 3.28Å; L447-L451 WeakPolarHBondContact O-CB 3.4Å; L447-L451 WeakPolarHBondContact O-CG 3.37Å; L447-L451 PolarHBondContact O-N 3.35Å
448	K	98.3	Very high	96.3	Very high	74 Å²	74	53.1 Å²	53.1	32%	0.322	29%	0.289	S	S	.	.	H	α-helix	trans	-56.5	-47.7	175.9	174.3	179.4	-178	-178.5	0	111.8	F332 L339 A444 Q445 Q446 S452	F332-K448 HydrophobicContact CB-CD 4.49Å; F332-K448 HydrophobicContact CD1-CD 4.33Å; F332-K448 HydrophobicContact CD2-CB 3.84Å; F332-K448 HydrophobicContact CD2-CD 3.68Å; F332-K448 HydrophobicContact CD2-CG 4.15Å; F332-K448 HydrophobicContact CE2-CB 3.99Å; F332-K448 HydrophobicContact CE2-CD 3.91Å; F332-K448 HydrophobicContact CG-CD 3.92Å; F332-K448 HydrophobicContact CZ-CD 4.35Å; L339-K448 HydrophobicContact CD1-CB 4.44Å; L339-K448 HydrophobicContact CD1-CG 4.15Å; L339-K448 HydrophobicContact CD2-CG 4.28Å; L339-K448 WeakPolarHBondContact CD2-O 3.28Å; A444-K448 WeakPolarHBondContact O-CB 3.31Å; A444-K448 PolarHBondContact O-N 3.16Å; Q445-K448 PolarHBondContact O-N 2.58Å; Q446-K448 PolarHBondContact O-N 2.89Å; K448-S452 WeakPolarHBondContact O-CB 3.48Å; K448-S452 PolarHBondContact O-N 3.31Å; K448-S452 VanDerWaalsContact O-N 3.16Å
449	S	97.4	Very high	96.1	Very high	44 Å²	44	45.8 Å²	45.8	31%	0.308	26%	0.264	S	S	.	.	H	α-helix	trans	-65.5	-48.8	-178	-177	0	0	0	0	111.8	Q445 Q446 L447 L451 S452 R460	Q445-S449 WeakPolarHBondContact O-CB 3.14Å; Q445-S449 PolarHBondContact O-N 2.79Å; Q446-S449 PolarHBondContact O-N 2.96Å; L447-S449 VanDerWaalsContact C-N 3.35Å; L447-S449 PolarHBondContact O-N 2.95Å; S449-L451 VanDerWaalsContact C-N 3.29Å; S449-L451 PolarHBondContact O-N 3.44Å; S449-S452 PolarHBondContact O-N 3.45Å; S449-S452 PolarHBondContact O-OG 3.35Å; S449-R460 PolarHBondContact OG-NH1 3.13Å
450	L	97.8	Very high	95.9	Very high	6 Å²	6	45.2 Å²	45.2	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-65	-31.7	-177.3	-70.6	176.1	0	0	0	113.3	L389 L435 Q446 L447 R460 F464	L389-L450 HydrophobicContact CD1-CD1 3.93Å; L389-L450 HydrophobicContact CD2-CD1 3.89Å; L435-L450 HydrophobicContact CD1-CD1 3.77Å; L435-L450 HydrophobicContact CD1-CD2 4Å; L435-L450 HydrophobicContact CD1-CG 3.84Å; L435-L450 HydrophobicContact CG-CD1 4.48Å; Q446-L450 WeakPolarHBondContact O-CB 3.2Å; Q446-L450 VanDerWaalsContact O-CG 3.3Å; Q446-L450 WeakPolarHBondContact O-CG 3.34Å; Q446-L450 PolarHBondContact O-N 3.09Å; L447-L450 PolarHBondContact O-N 3.3Å; L450-R460 HydrophobicContact CD2-CB 3.89Å; L450-F464 HydrophobicContact CD2-CD2 4.19Å; L450-F464 HydrophobicContact CD2-CE2 3.65Å; L450-F464 HydrophobicContact CD2-CZ 4.41Å
451	L	97.4	Very high	95.8	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-99.9	-1.5	-173.9	-62.2	169.7	0	0	0	114	A305 Y329 L339 P340 L342 L447 S449 E453 F454 L461	A305-L451 HydrophobicContact CB-CD2 3.74Å; Y329-L451 HydrophobicContact CE2-CB 4.45Å; Y329-L451 HydrophobicContact CE2-CD1 3.75Å; L339-L451 HydrophobicContact CD2-CB 4.49Å; P340-L451 VanDerWaalsContact CD-O 3.29Å; P340-L451 WeakPolarHBondContact CD-O 3.35Å; P340-L451 HydrophobicContact CG-CB 4.11Å; L342-L451 HydrophobicContact CD1-CD1 4.4Å; L342-L451 HydrophobicContact CD2-CD1 3.72Å; L447-L451 VanDerWaalsContact O-CB 3.28Å; L447-L451 WeakPolarHBondContact O-CB 3.4Å; L447-L451 WeakPolarHBondContact O-CG 3.37Å; L447-L451 PolarHBondContact O-N 3.35Å; S449-L451 VanDerWaalsContact C-N 3.29Å; S449-L451 PolarHBondContact O-N 3.44Å; L451-E453 PolarHBondContact O-N 2.91Å; L451-F454 HydrophobicContact CD2-CB 4.36Å; L451-F454 HydrophobicContact CD2-CD2 4.23Å; L451-F454 HydrophobicContact CD2-CG 4.4Å; L451-F454 VanDerWaalsContact O-CB 3.31Å; L451-F454 WeakPolarHBondContact O-CB 3.34Å; L451-F454 PolarHBondContact O-N 2.97Å; L451-L461 HydrophobicContact CD2-CD2 4.42Å
452	S	95.3	Very high	95.6	Very high	60 Å²	60	43 Å²	43	42%	0.42	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-27.1	179.8	60.5	0	0	0	0	114.4	K448 S449	K448-S452 WeakPolarHBondContact O-CB 3.48Å; K448-S452 PolarHBondContact O-N 3.31Å; K448-S452 VanDerWaalsContact O-N 3.16Å; S449-S452 PolarHBondContact O-N 3.45Å; S449-S452 PolarHBondContact O-OG 3.35Å
453	E	92.6	Very high	95.6	Very high	98 Å²	98	41.3 Å²	41.3	46%	0.458	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	4.6	179.2	-61.9	176.9	-92.5	0	0	112.7	L451 S456 G459	L451-E453 PolarHBondContact O-N 2.91Å; E453-S456 WeakPolarHBondContact O-CA 3.38Å; E453-S456 WeakPolarHBondContact O-CB 3.25Å; E453-S456 PolarHBondContact O-N 2.73Å; E453-G459 WeakPolarHBondContact OE1-CA 3.45Å
454	F	95.1	Very high	95.5	Very high	30 Å²	30	41.6 Å²	41.6	13%	0.132	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	140.8	-177.8	-176.1	-85.7	0	0	0	111.2	R303 A305 P340 D388 L451	R303-F454 HydrophobicContact CG-CE1 4.27Å; R303-F454 HydrophobicContact CG-CZ 4.26Å; R303-F454 VanDerWaalsContact CZ-CZ 3.4Å; A305-F454 HydrophobicContact CB-CD1 4.19Å; A305-F454 HydrophobicContact CB-CD2 4.09Å; A305-F454 HydrophobicContact CB-CE1 3.88Å; A305-F454 HydrophobicContact CB-CE2 3.79Å; A305-F454 HydrophobicContact CB-CG 4.27Å; A305-F454 HydrophobicContact CB-CZ 3.65Å; P340-F454 HydrophobicContact CB-CD1 3.71Å; P340-F454 HydrophobicContact CB-CE1 4.26Å; P340-F454 HydrophobicContact CG-CB 3.99Å; P340-F454 HydrophobicContact CG-CD1 3.73Å; P340-F454 HydrophobicContact CG-CG 4.07Å; D388-F454 HydrophobicContact CB-CE2 4.24Å; L451-F454 HydrophobicContact CD2-CB 4.36Å; L451-F454 HydrophobicContact CD2-CD2 4.23Å; L451-F454 HydrophobicContact CD2-CG 4.4Å; L451-F454 VanDerWaalsContact O-CB 3.31Å; L451-F454 WeakPolarHBondContact O-CB 3.34Å; L451-F454 PolarHBondContact O-N 2.97Å
455	P	93.1	Very high	95.4	Very high	68 Å²	68	43.2 Å²	43.2	44%	0.442	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	cis	-91.2	16.3	8.5	36.3	-36.7	0	0	0	115.3
456	S	91.1	Very high	95.3	Very high	54 Å²	54	44 Å²	44	38%	0.378	24%	0.241	S	C	.	.			trans	-61.5	141.9	178.9	-175.2	0	0	0	0	112	E453 D458	E453-S456 WeakPolarHBondContact O-CA 3.38Å; E453-S456 WeakPolarHBondContact O-CB 3.25Å; E453-S456 PolarHBondContact O-N 2.73Å; S456-D458 VanDerWaalsContact C-N 3.32Å; S456-D458 PolarHBondContact OG-N 3.37Å; S456-D458 VanDerWaalsContact OG-N 3.13Å; S456-D458 PolarHBondContact OG-OD2 2.91Å
457	S	86.6	Confident	95.3	Very high	78 Å²	78	46.3 Å²	46.3	55%	0.545	25%	0.254	S	S	.	.	S	Bend	trans	-87.4	-2.1	173.1	72.2	0	0	0	0	113.5	G462 R466	S457-G462 WeakPolarHBondContact O-CA 3.49Å; S457-R466 PolarHBondContact O-NH1 3.25Å
458	D	91.3	Very high	95.1	Very high	121 Å²	121	46.7 Å²	46.7	65%	0.647	26%	0.256	S	S	*	.	S	Bend	trans	-81.8	-25.7	-177.5	-62.4	-33.5	0	0	0	112.5	S456	S456-D458 VanDerWaalsContact C-N 3.32Å; S456-D458 PolarHBondContact OG-N 3.37Å; S456-D458 VanDerWaalsContact OG-N 3.13Å; S456-D458 PolarHBondContact OG-OD2 2.91Å
459	G	93.3	Very high	95	Very high	6 Å²	6	48.7 Å²	48.7	6%	0.062	26%	0.262	C	S	.	.	S	Bend	trans	-70.4	-176.9	179	0	0	0	0	0	114.5	E453 L461 G462 A463	E453-G459 WeakPolarHBondContact OE1-CA 3.45Å; G459-L461 VanDerWaalsContact C-N 3.32Å; G459-L461 PolarHBondContact O-N 3.07Å; G459-G462 PolarHBondContact O-N 3.24Å; G459-G462 VanDerWaalsContact O-N 3.09Å; G459-A463 PolarHBondContact O-N 3.26Å
460	R	95.4	Very high	94.8	Very high	64 Å²	64	50.9 Å²	50.9	24%	0.242	28%	0.283	C	S	.	.	H	α-helix	trans	-55.4	-41.6	-175	-64.1	179.8	65.1	-156.2	-3.6	113.7	E431 S449 L450 G462 A463 F464	E431-R460 IonicContact OE1-CZ 3.89Å; E431-R460 IonicContact OE1-NH2 2.68Å; E431-R460 PolarHBondContact OE1-NH2 2.76Å; E431-R460 IonicContact OE2-CZ 3Å; E431-R460 IonicContact OE2-NE 3.38Å; E431-R460 IonicContact OE2-NH2 2.8Å; E431-R460 PolarHBondContact OE2-NH2 3.24Å; S449-R460 PolarHBondContact OG-NH1 3.13Å; L450-R460 HydrophobicContact CD2-CB 3.89Å; R460-G462 VanDerWaalsContact C-N 3.32Å; R460-G462 PolarHBondContact O-N 3.01Å; R460-A463 WeakPolarHBondContact O-CB 3.32Å; R460-A463 PolarHBondContact O-N 3.03Å; R460-F464 WeakPolarHBondContact O-CG 3.5Å; R460-F464 PolarHBondContact O-N 2.81Å
461	L	95.2	Very high	94.3	Very high	16 Å²	16	54.1 Å²	54.1	8%	0.084	31%	0.306	C	S	.	.	H	α-helix	trans	-61.6	-41.5	179.6	-170.7	66.4	0	0	0	112	D388 L389 P415 L451 G459 R465	D388-L461 HydrophobicContact CB-CD2 4.21Å; L389-L461 HydrophobicContact CB-CD1 4.27Å; L389-L461 HydrophobicContact CD1-CD1 3.94Å; P415-L461 HydrophobicContact CB-CD1 4.03Å; P415-L461 HydrophobicContact CG-CD1 4.03Å; L451-L461 HydrophobicContact CD2-CD2 4.42Å; G459-L461 VanDerWaalsContact C-N 3.32Å; G459-L461 PolarHBondContact O-N 3.07Å; L461-R465 PolarHBondContact O-N 3.44Å
462	G	96.2	Very high	93.3	Very high	11 Å²	11	60.9 Å²	60.9	11%	0.113	33%	0.331	C	S	.	.	H	α-helix	trans	-69.3	-35.3	175.5	0	0	0	0	0	112.7	S457 G459 R460 R465 R466	S457-G462 WeakPolarHBondContact O-CA 3.49Å; G459-G462 PolarHBondContact O-N 3.24Å; G459-G462 VanDerWaalsContact O-N 3.09Å; R460-G462 VanDerWaalsContact C-N 3.32Å; R460-G462 PolarHBondContact O-N 3.01Å; G462-R465 PolarHBondContact O-N 3.4Å; G462-R466 WeakPolarHBondContact O-CG 3.31Å; G462-R466 PolarHBondContact O-N 2.97Å
463	A	97.3	Very high	92.3	Very high	29 Å²	29	61 Å²	61	24%	0.24	34%	0.341	C	S	.	.	H	α-helix	trans	-61.4	-48	173.4	0	0	0	0	0	112	G459 R460 R465 R466 N467	G459-A463 PolarHBondContact O-N 3.26Å; R460-A463 WeakPolarHBondContact O-CB 3.32Å; R460-A463 PolarHBondContact O-N 3.03Å; A463-R465 VanDerWaalsContact C-N 3.3Å; A463-R465 PolarHBondContact O-N 3.1Å; A463-R466 WeakPolarHBondContact O-CB 3.39Å; A463-R466 PolarHBondContact O-N 3.23Å; A463-R466 VanDerWaalsContact O-N 3.14Å; A463-N467 PolarHBondContact O-N 3.39Å
464	F	97.6	Very high	91.7	Very high	6 Å²	6	60 Å²	60	3%	0.026	34%	0.337	C	S	.	.	H	α-helix	trans	-61.2	-40.2	177.4	-62.8	-11.9	0	0	0	112.2	P415 E431 V432 L435 L450 R460 R466 N467 L468	P415-F464 HydrophobicContact CB-CB 3.78Å; P415-F464 HydrophobicContact CB-CD2 4.23Å; P415-F464 HydrophobicContact CG-CB 3.76Å; E431-F464 VanDerWaalsContact C-CE1 3.45Å; E431-F464 VanDerWaalsContact O-CE1 3.25Å; E431-F464 WeakPolarHBondContact O-CE1 3.29Å; V432-F464 VanDerWaalsContact O-CD1 3.23Å; V432-F464 WeakPolarHBondContact O-CD1 3.45Å; L435-F464 HydrophobicContact CD1-CE2 4.47Å; L435-F464 HydrophobicContact CD2-CE2 4.11Å; L435-F464 HydrophobicContact CD2-CZ 4Å; L435-F464 HydrophobicContact CG-CE2 3.93Å; L435-F464 HydrophobicContact CG-CZ 4.33Å; L450-F464 HydrophobicContact CD2-CD2 4.19Å; L450-F464 HydrophobicContact CD2-CE2 3.65Å; L450-F464 HydrophobicContact CD2-CZ 4.41Å; R460-F464 WeakPolarHBondContact O-CG 3.5Å; R460-F464 PolarHBondContact O-N 2.81Å; F464-R466 PolarHBondContact O-N 3.33Å; F464-N467 PolarHBondContact O-N 3.46Å; F464-L468 WeakPolarHBondContact O-CG 3.31Å; F464-L468 PolarHBondContact O-N 2.88Å
465	R	96.9	Very high	91.4	Very high	33 Å²	33	67.9 Å²	67.9	13%	0.125	37%	0.366	C	S	.	.	H	α-helix	trans	-62.8	-41.1	175.4	-175.5	169.7	-58.5	-106.9	7	112.1	A387 D388 C413 P415 L461 G462 A463 L468 R469	A387-R465 PolarHBondContact O-NH2 3.01Å; D388-R465 PolarHBondContact O-NH2 2.83Å; D388-R465 VanDerWaalsContact O-NH2 3.14Å; C413-R465 HydrophobicContact CB-CG 4.46Å; C413-R465 WeakPolarHBondContact O-CG 3.46Å; C413-R465 PolarHBondContact O-NH1 2.81Å; P415-R465 HydrophobicContact CG-CB 4.06Å; L461-R465 PolarHBondContact O-N 3.44Å; G462-R465 PolarHBondContact O-N 3.4Å; A463-R465 VanDerWaalsContact C-N 3.3Å; A463-R465 PolarHBondContact O-N 3.1Å; R465-L468 PolarHBondContact O-N 3.36Å; R465-R469 WeakPolarHBondContact O-CG 3.47Å; R465-R469 PolarHBondContact O-N 3.49Å
466	R	96.9	Very high	91.3	Very high	108 Å²	108	65.5 Å²	65.5	41%	0.408	35%	0.348	S	S	.	.	H	α-helix	trans	-63.2	-42.1	173.9	-74.3	-173.2	-66	-88.1	2.5	111.8	S457 G462 A463 F464 R469 A470	S457-R466 PolarHBondContact O-NH1 3.25Å; G462-R466 WeakPolarHBondContact O-CG 3.31Å; G462-R466 PolarHBondContact O-N 2.97Å; A463-R466 WeakPolarHBondContact O-CB 3.39Å; A463-R466 PolarHBondContact O-N 3.23Å; A463-R466 VanDerWaalsContact O-N 3.14Å; F464-R466 PolarHBondContact O-N 3.33Å; R466-R469 WeakPolarHBondContact O-CB 3.47Å; R466-R469 PolarHBondContact O-N 3.36Å; R466-A470 PolarHBondContact O-N 2.93Å
467	N	97.1	Very high	91.4	Very high	63 Å²	63	65.7 Å²	65.7	34%	0.337	34%	0.344	S	S	.	.	H	α-helix	trans	-60.8	-47.6	176.7	-68.4	-14.6	0	0	0	110.8	V432 A463 F464 R469 A470 S471	V432-N467 HydrophobicContact CG1-CB 4.46Å; V432-N467 WeakPolarHBondContact O-CB 3.45Å; V432-N467 PolarHBondContact O-ND2 2.97Å; A463-N467 PolarHBondContact O-N 3.39Å; F464-N467 PolarHBondContact O-N 3.46Å; N467-R469 VanDerWaalsContact C-N 3.31Å; N467-R469 PolarHBondContact O-N 2.94Å; N467-A470 CarbonylContact O-C 3.42Å; N467-A470 PolarHBondContact O-N 3.02Å; N467-A470 VanDerWaalsContact O-N 3.08Å; N467-S471 VanDerWaalsContact O-CB 3.29Å; N467-S471 WeakPolarHBondContact O-CB 3.49Å; N467-S471 PolarHBondContact O-N 3.02Å; N467-S471 PolarHBondContact O-OG 3.16Å
468	L	95.9	Very high	91.6	Very high	9 Å²	9	65.7 Å²	65.7	5%	0.047	34%	0.338	C	S	.	.	H	α-helix	trans	-57.6	-40.4	175.2	-75.7	170.2	0	0	0	113.2	F410 C413 P415 N433 F464 R465 S471 R472	F410-L468 HydrophobicContact CB-CD2 3.96Å; F410-L468 HydrophobicContact CD1-CD1 3.84Å; F410-L468 HydrophobicContact CD1-CD2 3.56Å; F410-L468 HydrophobicContact CD1-CG 4.37Å; F410-L468 HydrophobicContact CD2-CD2 4.03Å; F410-L468 HydrophobicContact CE1-CD1 4.1Å; F410-L468 HydrophobicContact CE1-CD2 3.92Å; F410-L468 HydrophobicContact CE2-CD2 4.37Å; F410-L468 HydrophobicContact CG-CD2 3.6Å; F410-L468 HydrophobicContact CZ-CD2 4.32Å; C413-L468 HydrophobicContact CB-CB 4.25Å; P415-L468 HydrophobicContact CG-CD1 4.27Å; N433-L468 HydrophobicContact CB-CD2 3.78Å; N433-L468 HydrophobicContact CB-CG 4.03Å; F464-L468 WeakPolarHBondContact O-CG 3.31Å; F464-L468 PolarHBondContact O-N 2.88Å; R465-L468 PolarHBondContact O-N 3.36Å; L468-S471 PolarHBondContact O-N 3.47Å; L468-R472 PolarHBondContact O-N 3.44Å
469	R	94.8	Very high	91.7	Very high	115 Å²	115	60.2 Å²	60.2	43%	0.434	31%	0.309	S	S	.	.	H	α-helix	trans	-63.3	-41.6	175	-72.5	170.9	-177.2	151.8	-0.9	111.9	E252 C413 R465 R466 N467	E252-R469 VanDerWaalsContact OE1-CG 3.26Å; E252-R469 WeakPolarHBondContact OE1-CG 3.44Å; E252-R469 IonicContact OE1-CZ 2.89Å; E252-R469 IonicContact OE1-NE 3.59Å; E252-R469 PolarHBondContact OE1-NE 3.2Å; E252-R469 IonicContact OE1-NH2 2.68Å; E252-R469 IonicContact OE2-CZ 3.47Å; E252-R469 IonicContact OE2-NE 3.1Å; E252-R469 PolarHBondContact OE2-NE 3.21Å; E252-R469 IonicContact OE2-NH2 3.86Å; E252-R469 PolarHBondContact OE2-NH2 3.41Å; C413-R469 HydrophobicContact CB-CG 4.15Å; R465-R469 WeakPolarHBondContact O-CG 3.47Å; R465-R469 PolarHBondContact O-N 3.49Å; R466-R469 WeakPolarHBondContact O-CB 3.47Å; R466-R469 PolarHBondContact O-N 3.36Å; N467-R469 VanDerWaalsContact C-N 3.31Å; N467-R469 PolarHBondContact O-N 2.94Å
470	A	93.9	Very high	91.9	Very high	91 Å²	91	59.9 Å²	59.9	75%	0.752	31%	0.306	S	S	*	.	H	α-helix	trans	-73.3	-32.4	179.1	0	0	0	0	0	112.5	R466 N467	R466-A470 PolarHBondContact O-N 2.93Å; N467-A470 CarbonylContact O-C 3.42Å; N467-A470 PolarHBondContact O-N 3.02Å; N467-A470 VanDerWaalsContact O-N 3.08Å
471	S	86.6	Confident	91.9	Very high	73 Å²	73	59.6 Å²	59.6	51%	0.51	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	28.9	-173.7	75.3	0	0	0	0	113.6	N467 L468 G473	N467-S471 VanDerWaalsContact O-CB 3.29Å; N467-S471 WeakPolarHBondContact O-CB 3.49Å; N467-S471 PolarHBondContact O-N 3.02Å; N467-S471 PolarHBondContact O-OG 3.16Å; L468-S471 PolarHBondContact O-N 3.47Å; S471-G473 PolarHBondContact O-N 3Å
472	R	76.8	Confident	91.9	Very high	146 Å²	146	63.9 Å²	63.9	55%	0.551	33%	0.329	S	S	*	.			trans	-57.2	-8.4	-177	-86.1	-172.5	178.2	-133.8	2.3	115.4	C413 L468	C413-R472 PolarHBondContact SG-NH2 2.96Å; C413-R472 VanDerWaalsContact SG-NH2 3.36Å; L468-R472 PolarHBondContact O-N 3.44Å
473	G	74.1	Confident	91.9	Very high	62 Å²	62	65.5 Å²	65.5	64%	0.639	34%	0.335	S	S	*	.			trans	62.2	-170.3	168.6	0	0	0	0	0	113.6	S471	S471-G473 PolarHBondContact O-N 3Å
474	Q	81.8	Confident	91.9	Very high	76 Å²	76	64.2 Å²	64.2	36%	0.355	32%	0.324	S	S	.	.			trans	-75.8	142.8	171.8	-69.8	178.2	-17	0	0	110.5	R245 D478	R245-Q474 WeakPolarHBondContact CD-O 3.41Å; R245-Q474 PolarHBondContact NE-O 3.49Å; Q474-D478 HydrophobicContact CB-CB 4.31Å
475	R	87.8	Confident	91.8	Very high	196 Å²	196	65.8 Å²	65.8	74%	0.74	33%	0.333	S	S	*	.			trans	-72.6	167.8	173	-64.4	-177	176.8	-172.4	0.8	110.6	D477 D478 N479	R475-D477 VanDerWaalsContact C-N 3.34Å; R475-D477 PolarHBondContact O-N 2.98Å; R475-D478 PolarHBondContact N-OD2 3.05Å; R475-D478 PolarHBondContact O-N 2.87Å; R475-N479 WeakPolarHBondContact O-CB 3.23Å; R475-N479 PolarHBondContact O-N 3.08Å
476	W	91.6	Very high	91.7	Very high	19 Å²	19	67.6 Å²	67.6	7%	0.072	35%	0.348	C	S	.	.	H	α-helix	trans	-50.9	-52.5	175.5	170.9	-94	0	0	0	112	R76 Y79 H80 S83 L242 R245 D478 N479 W480	R76-W476 HydrophobicContact CG-CH2 3.96Å; R76-W476 HydrophobicContact CG-CZ3 4.41Å; Y79-W476 HydrophobicContact CD2-CD2 4.29Å; Y79-W476 HydrophobicContact CD2-CE3 4.49Å; H80-W476 AromaticContact NE2-CH2 3.77Å; S83-W476 PolarHBondContact OG-NE1 3.13Å; L242-W476 HydrophobicContact CD2-CH2 3.8Å; L242-W476 HydrophobicContact CD2-CZ3 4.27Å; L242-W476 HydrophobicContact CG-CH2 4.42Å; L242-W476 HydrophobicContact CG-CZ3 4.41Å; R245-W476 HydrophobicContact CB-CB 4.03Å; W476-D478 PolarHBondContact O-N 2.92Å; W476-N479 PolarHBondContact O-N 2.82Å; W476-W480 AromaticContact CE2-CD1 3.75Å; W476-W480 AromaticContact CZ2-CD1 3.41Å; W476-W480 VanDerWaalsContact CZ2-CD1 3.41Å; W476-W480 HydrophobicContact CZ2-CG 4.36Å; W476-W480 AromaticContact NE1-CD1 3.88Å; W476-W480 VanDerWaalsContact O-CB 3.23Å; W476-W480 WeakPolarHBondContact O-CB 3.45Å; W476-W480 PolarHBondContact O-N 3.35Å
477	D	91.8	Very high	91.6	Very high	57 Å²	57	63.7 Å²	63.7	31%	0.305	34%	0.335	S	S	.	.	H	α-helix	trans	-60.3	-47.3	-175.7	-69.6	-36.3	0	0	0	111.3	S83 K86 R475 N479 W480 D481	S83-D477 PolarHBondContact OG-OD1 3.19Å; K86-D477 IonicContact NZ-OD1 3.41Å; K86-D477 PolarHBondContact NZ-OD1 3.06Å; K86-D477 IonicContact NZ-OD2 3.39Å; K86-D477 PolarHBondContact NZ-OD2 3.08Å; R475-D477 VanDerWaalsContact C-N 3.34Å; R475-D477 PolarHBondContact O-N 2.98Å; D477-N479 VanDerWaalsContact C-N 3.34Å; D477-N479 PolarHBondContact O-N 3Å; D477-W480 WeakPolarHBondContact O-CB 3.5Å; D477-W480 PolarHBondContact O-N 3.17Å; D477-D481 WeakPolarHBondContact O-CB 3.26Å; D477-D481 PolarHBondContact O-N 3.28Å
478	D	91.7	Very high	91.3	Very high	78 Å²	78	61.3 Å²	61.3	42%	0.417	32%	0.323	S	S	.	.	H	α-helix	trans	-61.6	-42.7	179.2	-53.1	-47.6	0	0	0	112.1	Q474 R475 W476 W480 Q482	Q474-D478 HydrophobicContact CB-CB 4.31Å; R475-D478 PolarHBondContact N-OD2 3.05Å; R475-D478 PolarHBondContact O-N 2.87Å; W476-D478 PolarHBondContact O-N 2.92Å; D478-W480 VanDerWaalsContact C-N 3.34Å; D478-Q482 VanDerWaalsContact O-CG 3.28Å; D478-Q482 WeakPolarHBondContact O-CG 3.48Å; D478-Q482 PolarHBondContact O-N 3.18Å; D478-Q482 PolarHBondContact O-NE2 2.82Å
479	N	93.8	Very high	90.9	Very high	6 Å²	6	65.5 Å²	65.5	3%	0.032	35%	0.349	C	S	.	.	H	α-helix	trans	-67.2	-36.8	177.6	-178.2	54	0	0	0	111.5	L242 Y243 R475 W476 D477 N483	L242-N479 VanDerWaalsContact CD1-ND2 3.33Å; L242-N479 WeakPolarHBondContact CD1-ND2 3.49Å; Y243-N479 PolarHBondContact O-ND2 3.15Å; R475-N479 WeakPolarHBondContact O-CB 3.23Å; R475-N479 PolarHBondContact O-N 3.08Å; W476-N479 PolarHBondContact O-N 2.82Å; D477-N479 VanDerWaalsContact C-N 3.34Å; D477-N479 PolarHBondContact O-N 3Å; N479-N483 WeakPolarHBondContact O-CB 3.4Å; N479-N483 PolarHBondContact O-N 2.84Å; N479-N483 PolarHBondContact O-ND2 3.12Å; N479-N483 PolarHBondContact OD1-ND2 2.89Å; N479-N483 VanDerWaalsContact OD1-ND2 3.13Å
480	W	96.2	Very high	89.5	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-69.5	-44.5	178.2	-168.9	97.1	0	0	0	111.6	H80 S83 L84 H87 W476 D477 D478 Q482 N483 V484 L485 L488	H80-W480 AromaticContact CE1-CD1 3.88Å; H80-W480 AromaticContact CE1-NE1 3.48Å; H80-W480 PolarHBondContact CE1-NE1 3.05Å; H80-W480 AromaticContact CG-NE1 3.78Å; H80-W480 AromaticContact ND1-CD1 3.74Å; H80-W480 AromaticContact ND1-CE2 3.98Å; H80-W480 AromaticContact ND1-NE1 2.94Å; H80-W480 PolarHBondContact ND1-NE1 3.39Å; S83-W480 VanDerWaalsContact CB-CD2 3.43Å; L84-W480 HydrophobicContact CD2-CH2 3.94Å; L84-W480 HydrophobicContact CD2-CZ2 3.98Å; L84-W480 HydrophobicContact CG-CH2 4.18Å; L84-W480 HydrophobicContact CG-CZ2 3.88Å; H87-W480 AromaticContact ND1-CZ3 3.71Å; W476-W480 AromaticContact CE2-CD1 3.75Å; W476-W480 AromaticContact CZ2-CD1 3.41Å; W476-W480 VanDerWaalsContact CZ2-CD1 3.41Å; W476-W480 HydrophobicContact CZ2-CG 4.36Å; W476-W480 AromaticContact NE1-CD1 3.88Å; W476-W480 VanDerWaalsContact O-CB 3.23Å; W476-W480 WeakPolarHBondContact O-CB 3.45Å; W476-W480 PolarHBondContact O-N 3.35Å; D477-W480 WeakPolarHBondContact O-CB 3.5Å; D477-W480 PolarHBondContact O-N 3.17Å; D478-W480 VanDerWaalsContact C-N 3.34Å; W480-Q482 VanDerWaalsContact C-N 3.25Å; W480-Q482 PolarHBondContact O-N 2.88Å; W480-N483 PolarHBondContact O-N 3.27Å; W480-V484 HydrophobicContact CD2-CB 3.81Å; W480-V484 HydrophobicContact CD2-CG1 4.31Å; W480-V484 HydrophobicContact CD2-CG2 4.23Å; W480-V484 HydrophobicContact CE3-CB 4.34Å; W480-V484 HydrophobicContact CG-CB 4.14Å; W480-V484 HydrophobicContact CG-CG2 4.03Å; W480-V484 HydrophobicContact CH2-CB 4.42Å; W480-V484 HydrophobicContact CH2-CG1 4.15Å; W480-V484 HydrophobicContact CZ2-CB 3.91Å; W480-V484 HydrophobicContact CZ2-CG1 3.47Å; W480-V484 VanDerWaalsContact CZ2-CG1 3.47Å; W480-V484 WeakPolarHBondContact O-CA 3.44Å; W480-V484 WeakPolarHBondContact O-CB 3.4Å; W480-V484 PolarHBondContact O-N 3.29Å; W480-L485 HydrophobicContact CE3-CB 4.44Å; W480-L485 HydrophobicContact CZ3-CB 3.94Å; W480-L485 HydrophobicContact CZ3-CD1 4.24Å; W480-L485 PolarHBondContact O-N 2.82Å; W480-L488 HydrophobicContact CH2-CD1 3.86Å; W480-L488 HydrophobicContact CZ2-CD1 4.33Å
481	D	95.8	Very high	87.6	Confident	57 Å²	57	64.4 Å²	64.4	31%	0.305	35%	0.353	S	S	.	.	H	α-helix	trans	-62.3	-35.7	179.2	-69.2	-0.2	0	0	0	111.5	H87 D477 L485 P486	H87-D481 IonicContact CE1-OD1 2.64Å; H87-D481 PolarHBondContact CE1-OD1 3.44Å; H87-D481 IonicContact CE1-OD2 3.72Å; H87-D481 IonicContact ND1-OD1 3.48Å; H87-D481 IonicContact NE2-OD1 2.61Å; H87-D481 PolarHBondContact NE2-OD1 3.24Å; H87-D481 IonicContact NE2-OD2 2.75Å; D477-D481 WeakPolarHBondContact O-CB 3.26Å; D477-D481 PolarHBondContact O-N 3.28Å; D481-L485 WeakPolarHBondContact O-CB 3.47Å; D481-P486 WeakPolarHBondContact O-CD 3.4Å
482	Q	95.4	Very high	86	Confident	107 Å²	107	70 Å²	70	50%	0.5	36%	0.363	S	S	.	.	H	α-helix	trans	-73.3	-37.3	178.1	-72.7	168.9	40.4	0	0	113.1	D478 W480 P486	D478-Q482 VanDerWaalsContact O-CG 3.28Å; D478-Q482 WeakPolarHBondContact O-CG 3.48Å; D478-Q482 PolarHBondContact O-N 3.18Å; D478-Q482 PolarHBondContact O-NE2 2.82Å; W480-Q482 VanDerWaalsContact C-N 3.25Å; W480-Q482 PolarHBondContact O-N 2.88Å; Q482-P486 WeakPolarHBondContact O-CG 3.5Å
483	N	96.1	Very high	86.5	Confident	44 Å²	44	66.2 Å²	66.2	24%	0.235	35%	0.354	C	S	.	.	H	α-helix	trans	-106.5	-31.7	-167.7	-67.8	-69.8	0	0	0	114.4	T240 L242 N479 W480	T240-N483 HydrophobicContact CG2-CB 3.95Å; L242-N483 HydrophobicContact CD1-CB 4.15Å; N479-N483 WeakPolarHBondContact O-CB 3.4Å; N479-N483 PolarHBondContact O-N 2.84Å; N479-N483 PolarHBondContact O-ND2 3.12Å; N479-N483 PolarHBondContact OD1-ND2 2.89Å; N479-N483 VanDerWaalsContact OD1-ND2 3.13Å; W480-N483 PolarHBondContact O-N 3.27Å
484	V	97	Very high	87.2	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.012	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-43.5	-172.5	-173.6	0	0	0	0	111.8	L221 L242 W480 P486 L487	L221-V484 HydrophobicContact CD1-CG1 4.28Å; L221-V484 HydrophobicContact CD1-CG2 3.93Å; L221-V484 HydrophobicContact CD2-CG2 4.21Å; L242-V484 HydrophobicContact CD1-CG2 4Å; L242-V484 HydrophobicContact CD2-CG2 3.66Å; L242-V484 HydrophobicContact CG-CG2 4.39Å; W480-V484 HydrophobicContact CD2-CB 3.81Å; W480-V484 HydrophobicContact CD2-CG1 4.31Å; W480-V484 HydrophobicContact CD2-CG2 4.23Å; W480-V484 HydrophobicContact CE3-CB 4.34Å; W480-V484 HydrophobicContact CG-CB 4.14Å; W480-V484 HydrophobicContact CG-CG2 4.03Å; W480-V484 HydrophobicContact CH2-CB 4.42Å; W480-V484 HydrophobicContact CH2-CG1 4.15Å; W480-V484 HydrophobicContact CZ2-CB 3.91Å; W480-V484 HydrophobicContact CZ2-CG1 3.47Å; W480-V484 VanDerWaalsContact CZ2-CG1 3.47Å; W480-V484 WeakPolarHBondContact O-CA 3.44Å; W480-V484 WeakPolarHBondContact O-CB 3.4Å; W480-V484 PolarHBondContact O-N 3.29Å; V484-P486 VanDerWaalsContact C-CD 3.45Å; V484-P486 VanDerWaalsContact C-N 3.34Å; V484-L487 WeakPolarHBondContact O-CB 3.46Å; V484-L487 PolarHBondContact O-N 3.15Å
485	L	95.9	Very high	87.5	Confident	40 Å²	40	65.9 Å²	65.9	21%	0.209	34%	0.338	C	S	.	.	H	α-helix	trans	-55.8	-41.4	-178.1	-175.2	63.7	0	0	0	113.2	H87 W480 D481 L487 L488 V489	H87-L485 HydrophobicContact CB-CD1 4.3Å; W480-L485 HydrophobicContact CE3-CB 4.44Å; W480-L485 HydrophobicContact CZ3-CB 3.94Å; W480-L485 HydrophobicContact CZ3-CD1 4.24Å; W480-L485 PolarHBondContact O-N 2.82Å; D481-L485 WeakPolarHBondContact O-CB 3.47Å; L485-L487 PolarHBondContact O-N 3.08Å; L485-L488 PolarHBondContact O-N 3.33Å; L485-V489 HydrophobicContact CD1-CG2 4.21Å; L485-V489 HydrophobicContact CG-CG2 4.41Å; L485-V489 WeakPolarHBondContact O-CG2 3.48Å; L485-V489 PolarHBondContact O-N 2.96Å
486	P	95.5	Very high	87.4	Confident	70 Å²	70	58.2 Å²	58.2	46%	0.455	31%	0.314	S	S	.	.	H	α-helix	trans	-59.6	-32.1	177.4	-25.5	36.7	0	0	0	113.6	D481 Q482 V484 L488 V489 A490	D481-P486 WeakPolarHBondContact O-CD 3.4Å; Q482-P486 WeakPolarHBondContact O-CG 3.5Å; V484-P486 VanDerWaalsContact C-CD 3.45Å; V484-P486 VanDerWaalsContact C-N 3.34Å; P486-L488 PolarHBondContact O-N 3.36Å; P486-V489 PolarHBondContact O-N 3.3Å; P486-A490 PolarHBondContact O-N 3.28Å; P486-A490 VanDerWaalsContact O-N 3.09Å
487	L	93.3	Very high	87.2	Confident	26 Å²	26	60.7 Å²	60.7	14%	0.136	33%	0.329	C	S	.	.	H	α-helix	trans	-69.1	-19.5	178.7	-51.5	179.1	0	0	0	112.8	H219 L221 V484 L485	H219-L487 HydrophobicContact CB-CD1 4.27Å; L221-L487 HydrophobicContact CD2-CD1 3.61Å; L221-L487 HydrophobicContact CG-CD1 4.29Å; V484-L487 WeakPolarHBondContact O-CB 3.46Å; V484-L487 PolarHBondContact O-N 3.15Å; L485-L487 PolarHBondContact O-N 3.08Å
488	L	92.4	Very high	86.9	Confident	14 Å²	14	60.9 Å²	60.9	7%	0.073	33%	0.331	C	S	.	.	H	α-helix	trans	-95.2	-21.9	-179.7	-56.1	175.2	0	0	0	112.6	L84 Y89 H154 I181 W480 L485 P486	L84-L488 HydrophobicContact CD2-CD1 3.38Å; Y89-L488 HydrophobicContact CE2-CD1 4.31Å; H154-L488 HydrophobicContact CB-CD2 4.17Å; H154-L488 PolarHBondContact NE2-O 2.63Å; I181-L488 HydrophobicContact CD1-CD2 3.71Å; W480-L488 HydrophobicContact CH2-CD1 3.86Å; W480-L488 HydrophobicContact CZ2-CD1 4.33Å; L485-L488 PolarHBondContact O-N 3.33Å; P486-L488 PolarHBondContact O-N 3.36Å
489	V	85.9	Confident	86.5	Confident	97 Å²	97	59.7 Å²	59.7	59%	0.588	33%	0.325	S	S	*	.	H	α-helix	trans	-101.6	-18.4	-175.3	-176.6	0	0	0	0	112.1	L485 P486	L485-V489 HydrophobicContact CD1-CG2 4.21Å; L485-V489 HydrophobicContact CG-CG2 4.41Å; L485-V489 WeakPolarHBondContact O-CG2 3.48Å; L485-V489 PolarHBondContact O-N 2.96Å; P486-V489 PolarHBondContact O-N 3.3Å
490	A	66.4	Low	86	Confident	55 Å²	55	63.8 Å²	63.8	46%	0.455	35%	0.347	S	S	.	.	S	Bend	trans	-54.1	131.1	-179.8	0	0	0	0	0	111.9	P486 R492	P486-A490 PolarHBondContact O-N 3.28Å; P486-A490 VanDerWaalsContact O-N 3.09Å; A490-R492 PolarHBondContact O-N 3.2Å
491	P	53.9	Low	85.1	Confident	128 Å²	128	69.2 Å²	69.2	83%	0.831	38%	0.376	S	S	*	.			trans	-61.7	137.8	175.7	23.7	-30	0	0	0	110.4
492	R	53.8	Low	84.2	Confident	190 Å²	190	70.3 Å²	70.3	72%	0.717	38%	0.383	S	S	*	.			trans	-67.8	0	-177.5	-67.5	-168.1	-174	113.9	5.5	113.5	R55 D60 A490	R55-R492 VanDerWaalsContact NH1-NH1 3.11Å; R55-R492 VanDerWaalsContact NH2-NH1 3.14Å; R55-R492 VanDerWaalsContact NH2-NH2 3.19Å; D60-R492 IonicContact OD1-CZ 3.86Å; D60-R492 IonicContact OD1-NH1 3.66Å; D60-R492 IonicContact OD1-NH2 3.15Å; D60-R492 PolarHBondContact OD1-NH2 3.39Å; D60-R492 VanDerWaalsContact OD1-NH2 3.15Å; A490-R492 PolarHBondContact O-N 3.2Å

Retrieved 492 of 492 residues in 520.4 ms (Link to these results)

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