A0A096NLJ6_PAPAN 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 A0A096NLJ6, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 464 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	57.8	Low	69.3	Low	196 Å²	196	106 Å²	106	97%	0.966	59%	0.591	S	S	*	*				0	-49.9	0	-67.1	-154.9	-72.3	0	0	113.2	A3 S4 W5	M1-A3 VanDerWaalsContact C-N 3.35Å; M1-A3 PolarHBondContact O-N 3.5Å; M1-S4 PolarHBondContact O-N 3.43Å; M1-S4 VanDerWaalsContact O-N 3.1Å; M1-W5 VanDerWaalsContact O-CD1 3.25Å; M1-W5 PolarHBondContact O-N 2.81Å
2	A	58.1	Low	70	Confident	74 Å²	74	102.5 Å²	102.5	61%	0.612	58%	0.577	S	S	*	*	H	α-helix	trans	-56	-39.8	179.6	0	0	0	0	0	114.9	S4 W5 L6	A2-S4 VanDerWaalsContact C-N 3.32Å; A2-S4 PolarHBondContact O-N 2.9Å; A2-W5 PolarHBondContact O-N 2.59Å; A2-L6 WeakPolarHBondContact O-CG 3.42Å; A2-L6 PolarHBondContact O-N 2.63Å
3	A	60.8	Low	70.5	Confident	72 Å²	72	104.5 Å²	104.5	60%	0.595	59%	0.585	S	S	*	*	H	α-helix	trans	-62.8	-34.5	176.5	0	0	0	0	0	113.4	M1 L6 V7	M1-A3 VanDerWaalsContact C-N 3.35Å; M1-A3 PolarHBondContact O-N 3.5Å; A3-L6 PolarHBondContact O-N 3.01Å; A3-V7 VanDerWaalsContact O-CG2 3.26Å; A3-V7 WeakPolarHBondContact O-CG2 3Å; A3-V7 PolarHBondContact O-N 3.27Å
4	S	70.7	Confident	71.1	Confident	87 Å²	87	103 Å²	103	61%	0.608	57%	0.574	S	S	*	*	H	α-helix	trans	-72.3	-35.2	178.9	-162.8	0	0	0	0	112.1	M1 A2 F8	M1-S4 PolarHBondContact O-N 3.43Å; M1-S4 VanDerWaalsContact O-N 3.1Å; A2-S4 VanDerWaalsContact C-N 3.32Å; A2-S4 PolarHBondContact O-N 2.9Å; S4-F8 WeakPolarHBondContact O-CB 3.45Å; S4-F8 PolarHBondContact O-N 3.32Å
5	W	76.2	Confident	72	Confident	168 Å²	168	102.7 Å²	102.7	64%	0.636	57%	0.57	S	S	*	*	H	α-helix	trans	-69.5	-38.2	174.4	-74.9	105.7	0	0	0	112.1	M1 A2 F8 L9	M1-W5 VanDerWaalsContact O-CD1 3.25Å; M1-W5 PolarHBondContact O-N 2.81Å; A2-W5 PolarHBondContact O-N 2.59Å; W5-F8 PolarHBondContact O-N 2.87Å; W5-L9 WeakPolarHBondContact O-CB 3.41Å; W5-L9 WeakPolarHBondContact O-CG 3.26Å; W5-L9 PolarHBondContact O-N 3.19Å
6	L	71.3	Confident	72.9	Confident	117 Å²	117	101 Å²	101	61%	0.613	57%	0.565	S	S	*	*	H	α-helix	trans	-65.1	-41.9	174.4	-71.6	169.2	0	0	0	112.1	A2 A3 L9 A10	A2-L6 WeakPolarHBondContact O-CG 3.42Å; A2-L6 PolarHBondContact O-N 2.63Å; A3-L6 PolarHBondContact O-N 3.01Å; L6-L9 PolarHBondContact O-N 3.15Å; L6-A10 WeakPolarHBondContact O-CB 3.45Å; L6-A10 PolarHBondContact O-N 2.84Å
7	V	73	Confident	73.5	Confident	88 Å²	88	97.8 Å²	97.8	53%	0.533	55%	0.547	S	S	.	.	H	α-helix	trans	-64.5	-42.5	175	170.7	0	0	0	0	111.1	A3 A10 L11	A3-V7 VanDerWaalsContact O-CG2 3.26Å; A3-V7 WeakPolarHBondContact O-CG2 3Å; A3-V7 PolarHBondContact O-N 3.27Å; V7-A10 PolarHBondContact O-N 3.33Å; V7-L11 HydrophobicContact CG1-CD1 3.86Å; V7-L11 WeakPolarHBondContact O-CB 3.39Å; V7-L11 WeakPolarHBondContact O-CG 3.24Å; V7-L11 PolarHBondContact O-N 3.17Å
8	F	75.3	Confident	74.2	Confident	120 Å²	120	97.9 Å²	97.9	53%	0.526	55%	0.545	S	S	.	.	H	α-helix	trans	-63.6	-44.6	176.4	-175.4	-100	0	0	0	112.3	S4 W5 A10 L11 C12	S4-F8 WeakPolarHBondContact O-CB 3.45Å; S4-F8 PolarHBondContact O-N 3.32Å; W5-F8 PolarHBondContact O-N 2.87Å; F8-A10 PolarHBondContact O-N 3.5Å; F8-L11 PolarHBondContact O-N 3.25Å; F8-C12 WeakPolarHBondContact O-CB 3.47Å; F8-C12 PolarHBondContact O-N 3.47Å; F8-C12 PolarHBondContact O-SG 2.82Å
9	L	74.6	Confident	74.8	Confident	98 Å²	98	99.1 Å²	99.1	51%	0.513	55%	0.549	S	S	.	.	H	α-helix	trans	-61.6	-43	174.7	-81.2	161	0	0	0	112.1	W5 L6 C12 L13	W5-L9 WeakPolarHBondContact O-CB 3.41Å; W5-L9 WeakPolarHBondContact O-CG 3.26Å; W5-L9 PolarHBondContact O-N 3.19Å; L6-L9 PolarHBondContact O-N 3.15Å; L9-C12 PolarHBondContact O-N 2.93Å; L9-L13 WeakPolarHBondContact O-CG 3.13Å; L9-L13 PolarHBondContact O-N 2.78Å
10	A	72.1	Confident	75.5	Confident	43 Å²	43	96.7 Å²	96.7	36%	0.355	54%	0.536	S	S	.	.	H	α-helix	trans	-62.7	-42.9	175.9	0	0	0	0	0	111.7	L6 V7 F8 L13 L14	L6-A10 WeakPolarHBondContact O-CB 3.45Å; L6-A10 PolarHBondContact O-N 2.84Å; V7-A10 PolarHBondContact O-N 3.33Å; F8-A10 PolarHBondContact O-N 3.5Å; A10-L13 PolarHBondContact O-N 3.11Å; A10-L14 VanDerWaalsContact O-CB 3.3Å; A10-L14 WeakPolarHBondContact O-CB 3.44Å; A10-L14 VanDerWaalsContact O-CG 3.24Å; A10-L14 WeakPolarHBondContact O-CG 3.33Å; A10-L14 PolarHBondContact O-N 2.96Å
11	L	72.1	Confident	75.9	Confident	103 Å²	103	92.1 Å²	92.1	54%	0.539	51%	0.511	S	S	.	.	H	α-helix	trans	-61.8	-44.7	175.1	-83.3	158.9	0	0	0	111.9	V7 F8 L13 L14 L15	V7-L11 HydrophobicContact CG1-CD1 3.86Å; V7-L11 WeakPolarHBondContact O-CB 3.39Å; V7-L11 WeakPolarHBondContact O-CG 3.24Å; V7-L11 PolarHBondContact O-N 3.17Å; F8-L11 PolarHBondContact O-N 3.25Å; L11-L13 VanDerWaalsContact C-N 3.29Å; L11-L13 PolarHBondContact O-N 2.83Å; L11-L14 PolarHBondContact O-N 3.44Å; L11-L15 WeakPolarHBondContact O-CB 3.41Å; L11-L15 PolarHBondContact O-N 3.21Å
12	C	77.9	Confident	77.1	Confident	64 Å²	64	84.7 Å²	84.7	43%	0.432	48%	0.484	S	S	.	.	H	α-helix	trans	-63.6	-32.2	177.8	-72.6	0	0	0	0	113.1	F8 L9 P16	F8-C12 WeakPolarHBondContact O-CB 3.47Å; F8-C12 PolarHBondContact O-N 3.47Å; F8-C12 PolarHBondContact O-SG 2.82Å; L9-C12 PolarHBondContact O-N 2.93Å; C12-P16 WeakPolarHBondContact O-CD 3.4Å; C12-P16 WeakPolarHBondContact O-CG 3.23Å
13	L	76.6	Confident	78.5	Confident	128 Å²	128	87.4 Å²	87.4	67%	0.67	48%	0.479	S	S	*	.	H	α-helix	trans	-80.6	-36.3	176.4	-70.6	169.8	0	0	0	112.9	L9 A10 L11	L9-L13 WeakPolarHBondContact O-CG 3.13Å; L9-L13 PolarHBondContact O-N 2.78Å; A10-L13 PolarHBondContact O-N 3.11Å; L11-L13 VanDerWaalsContact C-N 3.29Å; L11-L13 PolarHBondContact O-N 2.83Å
14	L	79.4	Confident	79.7	Confident	84 Å²	84	84.2 Å²	84.2	44%	0.44	45%	0.451	S	S	.	.	H	α-helix	trans	-83.6	-33.5	-176.3	-69.7	170.5	0	0	0	113	A10 L11 L17 L18	A10-L14 VanDerWaalsContact O-CB 3.3Å; A10-L14 WeakPolarHBondContact O-CB 3.44Å; A10-L14 VanDerWaalsContact O-CG 3.24Å; A10-L14 WeakPolarHBondContact O-CG 3.33Å; A10-L14 PolarHBondContact O-N 2.96Å; L11-L14 PolarHBondContact O-N 3.44Å; L14-L17 WeakPolarHBondContact O-CB 3.45Å; L14-L17 PolarHBondContact O-N 3.36Å; L14-L17 VanDerWaalsContact O-N 3.16Å; L14-L18 HydrophobicContact CB-CD1 4.5Å; L14-L18 VanDerWaalsContact O-CG 3.3Å; L14-L18 WeakPolarHBondContact O-CG 3.42Å; L14-L18 PolarHBondContact O-N 3.16Å
15	L	84.4	Confident	80.5	Confident	98 Å²	98	85.6 Å²	85.6	51%	0.513	44%	0.443	S	S	.	.	H	α-helix	trans	-59.4	-45.9	-175.9	-175.6	72.1	0	0	0	113.1	L11 L17 L18 L19	L11-L15 WeakPolarHBondContact O-CB 3.41Å; L11-L15 PolarHBondContact O-N 3.21Å; L15-L17 VanDerWaalsContact C-N 3.31Å; L15-L17 PolarHBondContact O-N 2.88Å; L15-L18 PolarHBondContact O-N 3.3Å; L15-L19 HydrophobicContact CD1-CG 4.47Å; L15-L19 HydrophobicContact CG-CD1 4.15Å; L15-L19 HydrophobicContact CG-CG 4.44Å; L15-L19 WeakPolarHBondContact O-CB 3.38Å; L15-L19 WeakPolarHBondContact O-CG 3.26Å; L15-L19 PolarHBondContact O-N 3.01Å
16	P	85.1	Confident	80.8	Confident	76 Å²	76	84 Å²	84	49%	0.494	44%	0.437	S	S	.	.	H	α-helix	trans	-61.4	-38.5	175.6	-22.7	34.2	0	0	0	112.7	C12 L19 L20	C12-P16 WeakPolarHBondContact O-CD 3.4Å; C12-P16 WeakPolarHBondContact O-CG 3.23Å; P16-L19 PolarHBondContact O-N 3.47Å; P16-L20 WeakPolarHBondContact O-CB 3.34Å; P16-L20 PolarHBondContact O-N 3.29Å
17	L	84	Confident	81.3	Confident	47 Å²	47	83.2 Å²	83.2	25%	0.246	43%	0.426	C	S	.	.	H	α-helix	trans	-66.4	-39.5	177	-71.1	171.4	0	0	0	111.8	L14 L15 G21 M119 L147	L14-L17 WeakPolarHBondContact O-CB 3.45Å; L14-L17 PolarHBondContact O-N 3.36Å; L14-L17 VanDerWaalsContact O-N 3.16Å; L15-L17 VanDerWaalsContact C-N 3.31Å; L15-L17 PolarHBondContact O-N 2.88Å; L17-G21 PolarHBondContact O-N 3.16Å; L17-M119 HydrophobicContact CD2-CE 4.19Å; L17-M119 HydrophobicContact CD2-CG 4.4Å; L17-L147 HydrophobicContact CB-CD1 4.42Å
18	L	85.3	Confident	81.8	Confident	100 Å²	100	81.4 Å²	81.4	52%	0.524	41%	0.41	S	S	.	.	H	α-helix	trans	-68	-43.2	176.6	-70.2	171.5	0	0	0	111.7	L14 L15 G21 G22 L147	L14-L18 HydrophobicContact CB-CD1 4.5Å; L14-L18 VanDerWaalsContact O-CG 3.3Å; L14-L18 WeakPolarHBondContact O-CG 3.42Å; L14-L18 PolarHBondContact O-N 3.16Å; L15-L18 PolarHBondContact O-N 3.3Å; L18-G21 PolarHBondContact O-N 3.13Å; L18-G22 PolarHBondContact O-N 3.28Å; L18-L147 HydrophobicContact CD2-CD2 3.82Å
19	L	87.2	Confident	81.8	Confident	119 Å²	119	85.9 Å²	85.9	62%	0.623	42%	0.423	S	S	*	.	H	α-helix	trans	-63.7	-45.9	175.4	-70.6	174	0	0	0	111.3	L15 P16 G21 G22 W23	L15-L19 HydrophobicContact CD1-CG 4.47Å; L15-L19 HydrophobicContact CG-CD1 4.15Å; L15-L19 HydrophobicContact CG-CG 4.44Å; L15-L19 WeakPolarHBondContact O-CB 3.38Å; L15-L19 WeakPolarHBondContact O-CG 3.26Å; L15-L19 PolarHBondContact O-N 3.01Å; P16-L19 PolarHBondContact O-N 3.47Å; L19-G21 VanDerWaalsContact C-N 3.34Å; L19-G21 PolarHBondContact O-N 3.11Å; L19-G22 PolarHBondContact O-N 2.98Å; L19-W23 PolarHBondContact O-N 2.89Å
20	L	87.3	Confident	81.5	Confident	52 Å²	52	90.1 Å²	90.1	27%	0.272	43%	0.432	S	S	.	.	H	α-helix	trans	-61.9	-42.1	175.2	-177.2	62.6	0	0	0	111.4	P16 W23 K24 M119	P16-L20 WeakPolarHBondContact O-CB 3.34Å; P16-L20 PolarHBondContact O-N 3.29Å; L20-W23 HydrophobicContact CD1-CE3 3.94Å; L20-W23 HydrophobicContact CD1-CZ3 4.32Å; L20-W23 PolarHBondContact O-N 3.08Å; L20-K24 WeakPolarHBondContact O-CB 3.4Å; L20-K24 WeakPolarHBondContact O-CG 3.25Å; L20-K24 PolarHBondContact O-N 2.88Å; L20-M119 HydrophobicContact CB-CE 4.33Å; L20-M119 HydrophobicContact CD2-CB 4.44Å; L20-M119 HydrophobicContact CD2-CE 3.69Å; L20-M119 HydrophobicContact CG-CE 3.94Å
21	G	83.9	Confident	81.5	Confident	1 Å²	1	90.6 Å²	90.6	1%	0.01	44%	0.436	C	S	.	.	H	α-helix	trans	-61.8	-44.2	174.6	0	0	0	0	0	112.4	L17 L18 L19 K24 R25	L17-G21 PolarHBondContact O-N 3.16Å; L18-G21 PolarHBondContact O-N 3.13Å; L19-G21 VanDerWaalsContact C-N 3.34Å; L19-G21 PolarHBondContact O-N 3.11Å; G21-K24 PolarHBondContact O-N 3.5Å; G21-R25 WeakPolarHBondContact O-CG 3.21Å; G21-R25 PolarHBondContact O-N 3.02Å
22	G	84.3	Confident	81.6	Confident	40 Å²	40	89.4 Å²	89.4	41%	0.412	44%	0.441	S	S	.	.	H	α-helix	trans	-60.5	-46.4	174.5	0	0	0	0	0	112.6	L18 L19 K24 R25 W26	L18-G22 PolarHBondContact O-N 3.28Å; L19-G22 PolarHBondContact O-N 2.98Å; G22-K24 PolarHBondContact O-N 3.25Å; G22-R25 PolarHBondContact O-N 3.35Å; G22-W26 PolarHBondContact O-N 3.18Å; G22-W26 VanDerWaalsContact O-N 3.1Å
23	W	86.8	Confident	82.1	Confident	130 Å²	130	91.9 Å²	91.9	49%	0.492	44%	0.441	S	S	.	.	H	α-helix	trans	-61.5	-43	175	177.4	74	0	0	0	112.1	L19 L20 W26 R27	L19-W23 PolarHBondContact O-N 2.89Å; L20-W23 HydrophobicContact CD1-CE3 3.94Å; L20-W23 HydrophobicContact CD1-CZ3 4.32Å; L20-W23 PolarHBondContact O-N 3.08Å; W23-W26 WeakPolarHBondContact O-CB 3.47Å; W23-W26 PolarHBondContact O-N 3.41Å; W23-R27 PolarHBondContact O-N 2.89Å
24	K	86.8	Confident	82.9	Confident	5 Å²	5	86.5 Å²	86.5	2%	0.022	41%	0.412	C	S	.	.	H	α-helix	trans	-62.9	-44.9	176.2	-82.2	-175.1	157.3	-158.6	0	112.8	L20 G21 G22 W26 R27 R28 L118 M119 R121 P123	L20-K24 WeakPolarHBondContact O-CB 3.4Å; L20-K24 WeakPolarHBondContact O-CG 3.25Å; L20-K24 PolarHBondContact O-N 2.88Å; G21-K24 PolarHBondContact O-N 3.5Å; G22-K24 PolarHBondContact O-N 3.25Å; K24-W26 PolarHBondContact O-N 2.79Å; K24-R27 PolarHBondContact O-N 3.32Å; K24-R28 WeakPolarHBondContact O-CB 3.41Å; K24-R28 PolarHBondContact O-N 3.29Å; K24-L118 PolarHBondContact NZ-O 3.44Å; K24-M119 WeakPolarHBondContact CE-O 3.43Å; K24-M119 PolarHBondContact NZ-O 3.47Å; K24-R121 WeakPolarHBondContact CE-O 3.4Å; K24-R121 PolarHBondContact NZ-O 3.47Å; K24-P123 HydrophobicContact CB-CB 4.37Å; K24-P123 HydrophobicContact CB-CG 4.04Å; K24-P123 HydrophobicContact CG-CG 4.37Å
25	R	86.5	Confident	83.8	Confident	117 Å²	117	82.5 Å²	82.5	44%	0.442	39%	0.392	S	S	.	.	H	α-helix	trans	-56	-42.6	174.5	-77	173.7	179	-159.8	1.6	111.3	G21 G22 R29 C146 L147 C148	G21-R25 WeakPolarHBondContact O-CG 3.21Å; G21-R25 PolarHBondContact O-N 3.02Å; G22-R25 PolarHBondContact O-N 3.35Å; R25-R29 PolarHBondContact O-N 3.31Å; R25-C146 PolarHBondContact NH2-O 3.49Å; R25-L147 PolarHBondContact NE-O 3.01Å; R25-C148 VanDerWaalsContact CG-C 3.44Å; R25-C148 WeakPolarHBondContact CG-O 3.22Å
26	W	82.8	Confident	84.4	Confident	133 Å²	133	78 Å²	78	50%	0.504	37%	0.369	S	S	.	.	H	α-helix	trans	-65.6	-46.1	177	177.9	79.4	0	0	0	112.2	G22 W23 K24 R28 R29	G22-W26 PolarHBondContact O-N 3.18Å; G22-W26 VanDerWaalsContact O-N 3.1Å; W23-W26 WeakPolarHBondContact O-CB 3.47Å; W23-W26 PolarHBondContact O-N 3.41Å; K24-W26 PolarHBondContact O-N 2.79Å; W26-R28 PolarHBondContact O-N 3.48Å; W26-R29 PolarHBondContact O-N 3.48Å
27	R	82.2	Confident	85	Confident	102 Å²	102	74.4 Å²	74.4	39%	0.385	35%	0.345	S	S	.	.	H	α-helix	trans	-61.9	-42.9	177.6	-170.6	175.7	-178	-152.2	-8.9	112	W23 K24 R29 R30 A31 E122	W23-R27 PolarHBondContact O-N 2.89Å; K24-R27 PolarHBondContact O-N 3.32Å; R27-R29 VanDerWaalsContact C-N 3.34Å; R27-R29 PolarHBondContact O-N 2.91Å; R27-R30 PolarHBondContact O-N 2.96Å; R27-A31 PolarHBondContact O-N 3.49Å; R27-E122 IonicContact CZ-OE1 3.31Å; R27-E122 VanDerWaalsContact CZ-OE1 3.31Å; R27-E122 IonicContact NH1-OE1 3.45Å; R27-E122 PolarHBondContact NH1-OE1 3.04Å; R27-E122 IonicContact NH2-OE1 2.66Å; R27-E122 PolarHBondContact NH2-OE1 3.49Å
28	R	83.4	Confident	85.6	Confident	49 Å²	49	72.2 Å²	72.2	19%	0.185	33%	0.333	C	S	.	.	H	α-helix	trans	-57.3	-43.9	179.3	-171.8	-172.3	61.6	171	-1.4	112.7	K24 W26 R30 A31 P123 G149	K24-R28 WeakPolarHBondContact O-CB 3.41Å; K24-R28 PolarHBondContact O-N 3.29Å; W26-R28 PolarHBondContact O-N 3.48Å; R28-R30 PolarHBondContact O-N 3.41Å; R28-A31 PolarHBondContact O-N 2.94Å; R28-P123 HydrophobicContact CB-CB 4.43Å; R28-P123 HydrophobicContact CB-CG 3.84Å; R28-P123 HydrophobicContact CG-CG 4.39Å; R28-G149 PolarHBondContact NH1-O 3.02Å; R28-G149 PolarHBondContact NH2-O 3.41Å
29	R	76	Confident	86.1	Confident	215 Å²	215	67.4 Å²	67.4	81%	0.811	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-14.4	178.6	-74.3	-179.1	179.4	176.4	-0.2	113.8	R25 W26 R27	R25-R29 PolarHBondContact O-N 3.31Å; W26-R29 PolarHBondContact O-N 3.48Å; R27-R29 VanDerWaalsContact C-N 3.34Å; R27-R29 PolarHBondContact O-N 2.91Å
30	R	67.9	Low	86.4	Confident	187 Å²	187	62.5 Å²	62.5	71%	0.706	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	-4.1	-179.2	-63.3	-178.9	171.5	-166.9	-3.8	113.4	R27 R28	R27-R30 PolarHBondContact O-N 2.96Å; R28-R30 PolarHBondContact O-N 3.41Å
31	A	72	Confident	86.6	Confident	53 Å²	53	60.7 Å²	60.7	44%	0.438	28%	0.277	S	S	.	.	S	Bend	trans	-93.3	162	-175.3	0	0	0	0	0	111.6	R27 R28	R27-A31 PolarHBondContact O-N 3.49Å; R28-A31 PolarHBondContact O-N 2.94Å
32	A	73.3	Confident	86.9	Confident	77 Å²	77	61.7 Å²	61.7	64%	0.636	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-64.7	160.1	168	0	0	0	0	0	110.8	H34	A32-H34 PolarHBondContact O-N 3.38Å; A32-H34 VanDerWaalsContact O-N 3.11Å
33	R	89.3	Confident	87.4	Confident	116 Å²	116	59.9 Å²	59.9	44%	0.438	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-57.5	116.4	-179.9	-67.5	-178	173.4	-175.7	-5.8	110.2	F61 S62 D125	R33-F61 HydrophobicContact CB-CD1 3.57Å; R33-F61 HydrophobicContact CB-CE1 3.81Å; R33-F61 HydrophobicContact CB-CG 4.36Å; R33-F61 HydrophobicContact CG-CE1 4.33Å; R33-F61 WeakPolarHBondContact O-CA 3.34Å; R33-S62 PolarHBondContact O-N 2.81Å; R33-D125 WeakPolarHBondContact CA-OD2 3.36Å
34	H	94.1	Very high	87.5	Confident	15 Å²	15	54.6 Å²	54.6	7%	0.069	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	134.4	-173.5	177.1	-123	0	0	0	110.9	A32 S62 T64 E122 P123 G124 D125	A32-H34 PolarHBondContact O-N 3.38Å; A32-H34 VanDerWaalsContact O-N 3.11Å; H34-S62 CarbonylContact C-O 3.59Å; H34-S62 WeakPolarHBondContact CA-O 3.3Å; H34-S62 PolarHBondContact CD2-O 3.05Å; H34-S62 VanDerWaalsContact CD2-O 3.22Å; H34-T64 PolarHBondContact CE1-OG1 3.26Å; H34-T64 PolarHBondContact NE2-OG1 2.92Å; H34-E122 PolarHBondContact CE1-O 3.33Å; H34-P123 PolarHBondContact ND1-O 2.91Å; H34-G124 CarbonylContact O-C 3.57Å; H34-G124 WeakPolarHBondContact O-CA 3.36Å; H34-D125 PolarHBondContact N-OD2 3.13Å; H34-D125 PolarHBondContact O-N 3.37Å
35	V	96.4	Very high	87.5	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	139.2	177.7	179.7	0	0	0	0	110.2	L56 F61 S62 V63 T64 Y126 F128	V35-L56 HydrophobicContact CB-CD1 4.05Å; V35-L56 HydrophobicContact CG1-CD1 3.69Å; V35-L56 HydrophobicContact CG2-CD1 4.3Å; V35-L56 HydrophobicContact CG2-CD2 4.08Å; V35-F61 HydrophobicContact CG2-CB 4.39Å; V35-F61 HydrophobicContact CG2-CD1 3.67Å; V35-F61 HydrophobicContact CG2-CE1 4.27Å; V35-F61 HydrophobicContact CG2-CG 4.25Å; V35-S62 PolarHBondContact N-O 3.1Å; V35-V63 CarbonylContact O-C 3.57Å; V35-V63 VanDerWaalsContact O-CA 3.31Å; V35-V63 WeakPolarHBondContact O-CA 3.39Å; V35-T64 PolarHBondContact O-N 2.98Å; V35-Y126 HydrophobicContact CG2-CD2 4.48Å; V35-F128 HydrophobicContact CG1-CD2 3.52Å; V35-F128 HydrophobicContact CG1-CE2 4.03Å; V35-F128 HydrophobicContact CG1-CG 4.35Å
36	V	97.3	Very high	87.8	Confident	5 Å²	5	57.7 Å²	57.7	3%	0.03	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	110.4	173.9	-175.2	0	0	0	0	108.4	V38 T64 L66 L118 Y126 I127 F128	V36-V38 HydrophobicContact CG1-CG2 3.97Å; V36-T64 CarbonylContact C-O 3.57Å; V36-T64 WeakPolarHBondContact CA-O 3.46Å; V36-L66 HydrophobicContact CG1-CD1 3.22Å; V36-L118 HydrophobicContact CG1-CD2 3.83Å; V36-Y126 PolarHBondContact N-O 3.34Å; V36-I127 HydrophobicContact CB-CG1 4.45Å; V36-I127 CarbonylContact O-C 3.52Å; V36-I127 VanDerWaalsContact O-CA 3.26Å; V36-I127 WeakPolarHBondContact O-CA 3.29Å; V36-F128 PolarHBondContact O-N 2.95Å
37	A	97.5	Very high	88.1	Confident	0 Å²	0	53 Å²	53	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	127.3	172.6	0	0	0	0	0	109.3	M49 V63 T64 L65 L66 F128	A37-M49 HydrophobicContact CB-CE 4.16Å; A37-V63 HydrophobicContact CB-CG1 4.36Å; A37-T64 PolarHBondContact N-O 3.28Å; A37-L65 HydrophobicContact CB-CD1 3.55Å; A37-L65 CarbonylContact O-C 3.51Å; A37-L65 WeakPolarHBondContact O-CA 3.43Å; A37-L66 PolarHBondContact O-N 3.23Å; A37-F128 CarbonylContact C-O 3.27Å; A37-F128 WeakPolarHBondContact CA-O 3.47Å; A37-F128 HydrophobicContact CB-CB 4.48Å
38	V	97.7	Very high	88.7	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	121.8	-173.9	-177	0	0	0	0	109.5	V36 L66 L114 L118 I127 F128 L129 Q130	V36-V38 HydrophobicContact CG1-CG2 3.97Å; V38-L66 HydrophobicContact CG2-CD1 4.32Å; V38-L114 HydrophobicContact CG1-CD1 4.01Å; V38-L114 HydrophobicContact CG1-CD2 4.45Å; V38-L118 HydrophobicContact CG2-CD2 4.27Å; V38-I127 HydrophobicContact CG2-CG2 3.9Å; V38-F128 PolarHBondContact N-O 2.96Å; V38-L129 HydrophobicContact CB-CD1 4.03Å; V38-L129 HydrophobicContact CG1-CD1 3.91Å; V38-Q130 PolarHBondContact O-N 3.25Å
39	V	95.5	Very high	89.3	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	104.9	174.9	-175.1	0	0	0	0	106.7	G41 S46 M49 L65 L66 G67 Q130	V39-G41 PolarHBondContact O-N 3.42Å; V39-S46 WeakPolarHBondContact CG1-OG 3.13Å; V39-M49 HydrophobicContact CG2-CB 3.64Å; V39-M49 HydrophobicContact CG2-CE 4.24Å; V39-M49 HydrophobicContact CG2-CG 3.72Å; V39-L65 HydrophobicContact CG2-CD1 4.2Å; V39-L66 PolarHBondContact N-O 2.92Å; V39-G67 WeakPolarHBondContact O-CA 3.33Å; V39-Q130 HydrophobicContact CG2-CB 4.46Å
40	L	93.4	Very high	90.2	Very high	15 Å²	15	35.9 Å²	35.9	8%	0.079	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	54.7	173	-168.2	71.6	0	0	0	110.2	F68 L88 Q110 P133 S137	L40-F68 HydrophobicContact CD1-CZ 4.23Å; L40-L88 HydrophobicContact CD1-CD1 4.06Å; L40-Q110 HydrophobicContact CD2-CB 4.44Å; L40-P133 HydrophobicContact CB-CG 4.04Å; L40-P133 HydrophobicContact CD2-CG 4.49Å; L40-P133 HydrophobicContact CG-CG 4.43Å; L40-P133 WeakPolarHBondContact O-CD 3.41Å; L40-P133 WeakPolarHBondContact O-CG 3.41Å; L40-S137 WeakPolarHBondContact CB-OG 3.37Å; L40-S137 WeakPolarHBondContact CD2-OG 3.34Å
41	G	91.3	Very high	91.4	Very high	15 Å²	15	28.3 Å²	28.3	16%	0.155	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.3	-178.2	-171.2	0	0	0	0	0	110.5	V39 V43 F68	V39-G41 PolarHBondContact O-N 3.42Å; G41-V43 PolarHBondContact O-N 3.15Å; G41-F68 VanDerWaalsContact C-CD2 3.5Å; G41-F68 PolarHBondContact O-N 2.92Å
42	D	91.6	Very high	92.6	Very high	22 Å²	22	25.8 Å²	25.8	12%	0.118	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	117.4	180	-172.2	8.7	0	0	0	111.4	G44 R45 S46 F68 N70 S71	D42-G44 VanDerWaalsContact C-N 3.31Å; D42-G44 PolarHBondContact O-N 3.41Å; D42-G44 PolarHBondContact OD1-N 3.4Å; D42-R45 HydrophobicContact CB-CB 4.28Å; D42-R45 HydrophobicContact CB-CG 4.39Å; D42-R45 PolarHBondContact O-N 3.03Å; D42-R45 VanDerWaalsContact O-N 3.12Å; D42-R45 IonicContact OD2-NE 3.85Å; D42-S46 PolarHBondContact O-N 2.78Å; D42-S46 PolarHBondContact O-OG 3.02Å; D42-F68 WeakPolarHBondContact CA-O 3.47Å; D42-N70 PolarHBondContact OD1-N 3.17Å; D42-S71 PolarHBondContact OD1-N 2.94Å; D42-S71 WeakPolarHBondContact OD2-CB 3.28Å; D42-S71 PolarHBondContact OD2-N 3.38Å; D42-S71 PolarHBondContact OD2-OG 3.13Å
43	V	93.1	Very high	93.8	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.012	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-60.5	-43	-178.7	173.5	0	0	0	0	110.5	G41 R45 S46 Q50 L65 F68 P73	G41-V43 PolarHBondContact O-N 3.15Å; V43-R45 PolarHBondContact O-N 3.03Å; V43-R45 VanDerWaalsContact O-N 3.08Å; V43-S46 PolarHBondContact O-N 2.61Å; V43-Q50 HydrophobicContact CG1-CG 4.19Å; V43-Q50 PolarHBondContact O-NE2 2.71Å; V43-L65 HydrophobicContact CG1-CD2 3.53Å; V43-L65 HydrophobicContact CG1-CG 4.12Å; V43-L65 HydrophobicContact CG2-CG 4.44Å; V43-F68 PolarHBondContact N-O 3.31Å; V43-P73 HydrophobicContact CG1-CG 4.26Å
44	G	89	Confident	94.1	Very high	18 Å²	18	17.2 Å²	17.2	19%	0.186	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-63.9	-16.2	-179.4	0	0	0	0	0	113.8	D42	D42-G44 VanDerWaalsContact C-N 3.31Å; D42-G44 PolarHBondContact O-N 3.41Å; D42-G44 PolarHBondContact OD1-N 3.4Å
45	R	87.3	Confident	94.2	Very high	175 Å²	175	16.7 Å²	16.7	66%	0.66	9%	0.085	S	C	*	.	G	3₁₀ helix	trans	-109.1	13.5	176.8	-61.5	-177.2	-176.1	-166.4	1.1	113.3	D42 V43 P47 S71	D42-R45 HydrophobicContact CB-CB 4.28Å; D42-R45 HydrophobicContact CB-CG 4.39Å; D42-R45 PolarHBondContact O-N 3.03Å; D42-R45 VanDerWaalsContact O-N 3.12Å; D42-R45 IonicContact OD2-NE 3.85Å; V43-R45 PolarHBondContact O-N 3.03Å; V43-R45 VanDerWaalsContact O-N 3.08Å; R45-P47 VanDerWaalsContact O-CD 3.26Å; R45-P47 WeakPolarHBondContact O-CD 3.37Å; R45-S71 PolarHBondContact NE-OG 3.49Å
46	S	91.9	Very high	94.1	Very high	12 Å²	12	16.7 Å²	16.7	8%	0.084	9%	0.085	C	C	.	.			trans	-119.3	64.5	-179.1	-57.7	0	0	0	0	110.1	V39 D42 V43 R48 M49 Q50 Q130	V39-S46 WeakPolarHBondContact CG1-OG 3.13Å; D42-S46 PolarHBondContact O-N 2.78Å; D42-S46 PolarHBondContact O-OG 3.02Å; V43-S46 PolarHBondContact O-N 2.61Å; S46-R48 VanDerWaalsContact C-N 3.31Å; S46-R48 PolarHBondContact O-N 2.93Å; S46-M49 PolarHBondContact O-N 3.28Å; S46-M49 VanDerWaalsContact O-N 3.14Å; S46-Q50 PolarHBondContact O-N 3.39Å; S46-Q50 VanDerWaalsContact O-N 3.15Å; S46-Q130 PolarHBondContact OG-OE1 3.47Å
47	P	91	Very high	94.1	Very high	35 Å²	35	16.5 Å²	16.5	23%	0.227	8%	0.084	C	C	.	.	H	α-helix	trans	-57.2	-41.5	-171.1	22.5	-33.9	0	0	0	112.5	R45 M49 Q50 Y51 M377	R45-P47 VanDerWaalsContact O-CD 3.26Å; R45-P47 WeakPolarHBondContact O-CD 3.37Å; P47-M49 VanDerWaalsContact C-N 3.31Å; P47-M49 PolarHBondContact O-N 3.01Å; P47-Q50 CarbonylContact O-C 3.5Å; P47-Q50 WeakPolarHBondContact O-CA 3.15Å; P47-Q50 WeakPolarHBondContact O-CB 3.41Å; P47-Q50 PolarHBondContact O-N 2.8Å; P47-Y51 HydrophobicContact CB-CE2 3.96Å; P47-Y51 WeakPolarHBondContact O-CD2 3.43Å; P47-Y51 VanDerWaalsContact O-CG 3.28Å; P47-Y51 PolarHBondContact O-N 3.09Å; P47-M377 HydrophobicContact CG-CE 3.8Å; P47-M377 HydrophobicContact CG-SD 4.37Å
48	R	93.4	Very high	93.9	Very high	4 Å²	4	22 Å²	22	2%	0.015	11%	0.111	C	C	.	.	H	α-helix	trans	-55.5	-42.6	177.3	-178.5	167.8	172.3	116.4	-6.5	113.5	S46 Y51 H52 D155 H157 V214 D216 W449	S46-R48 VanDerWaalsContact C-N 3.31Å; S46-R48 PolarHBondContact O-N 2.93Å; R48-Y51 PolarHBondContact O-N 3.37Å; R48-H52 PolarHBondContact O-CD2 3.5Å; R48-H52 PolarHBondContact O-N 2.99Å; R48-D155 IonicContact CZ-OD1 3.41Å; R48-D155 IonicContact CZ-OD2 3.72Å; R48-D155 IonicContact NE-OD1 3.53Å; R48-D155 PolarHBondContact NE-OD1 3.43Å; R48-D155 IonicContact NE-OD2 3.38Å; R48-D155 PolarHBondContact NE-OD2 3Å; R48-D155 IonicContact NH2-OD1 2.84Å; R48-D155 PolarHBondContact NH2-OD1 3.09Å; R48-D155 IonicContact NH2-OD2 3.24Å; R48-H157 VanDerWaalsContact CD-CE1 3.44Å; R48-H157 WeakPolarHBondContact CD-CE1 3.38Å; R48-H157 WeakPolarHBondContact CD-NE2 3.2Å; R48-H157 PolarHBondContact NE-NE2 3.06Å; R48-V214 VanDerWaalsContact CZ-O 3.32Å; R48-V214 PolarHBondContact NH1-O 3.01Å; R48-V214 PolarHBondContact NH2-O 2.75Å; R48-D216 VanDerWaalsContact CD-OD1 3.3Å; R48-D216 WeakPolarHBondContact CD-OD1 3.34Å; R48-D216 IonicContact CZ-OD1 2.73Å; R48-D216 VanDerWaalsContact NH1-CG 3.28Å; R48-D216 IonicContact NH1-OD1 3.71Å; R48-D216 PolarHBondContact NH1-OD1 2.91Å; R48-D216 IonicContact NH1-OD2 2.7Å; R48-D216 PolarHBondContact NH1-OD2 3.03Å; R48-W449 HydrophobicContact CG-CH2 3.71Å; R48-W449 HydrophobicContact CG-CZ3 4.11Å
49	M	95.9	Very high	93.7	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-74.2	-31.1	177.5	-66.8	-61.1	-64.4	0	0	112.8	A37 V39 S46 P47 Y51 A53 F128 Q130	A37-M49 HydrophobicContact CB-CE 4.16Å; V39-M49 HydrophobicContact CG2-CB 3.64Å; V39-M49 HydrophobicContact CG2-CE 4.24Å; V39-M49 HydrophobicContact CG2-CG 3.72Å; S46-M49 PolarHBondContact O-N 3.28Å; S46-M49 VanDerWaalsContact O-N 3.14Å; P47-M49 VanDerWaalsContact C-N 3.31Å; P47-M49 PolarHBondContact O-N 3.01Å; M49-Y51 VanDerWaalsContact C-N 3.34Å; M49-A53 PolarHBondContact O-N 2.74Å; M49-F128 HydrophobicContact CE-CB 4.24Å; M49-Q130 HydrophobicContact CE-CB 4.31Å; M49-Q130 HydrophobicContact CG-CB 3.82Å; M49-Q130 HydrophobicContact CG-CG 4.06Å; M49-Q130 HydrophobicContact SD-CB 3.92Å; M49-Q130 HydrophobicContact SD-CG 4.48Å
50	Q	95.3	Very high	93.6	Very high	1 Å²	1	27 Å²	27	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-64.1	-41.7	170	-63.6	-176.8	62	0	0	110.7	V43 S46 P47 A53 L54 L77	V43-Q50 HydrophobicContact CG1-CG 4.19Å; V43-Q50 PolarHBondContact O-NE2 2.71Å; S46-Q50 PolarHBondContact O-N 3.39Å; S46-Q50 VanDerWaalsContact O-N 3.15Å; P47-Q50 CarbonylContact O-C 3.5Å; P47-Q50 WeakPolarHBondContact O-CA 3.15Å; P47-Q50 WeakPolarHBondContact O-CB 3.41Å; P47-Q50 PolarHBondContact O-N 2.8Å; Q50-A53 PolarHBondContact O-N 2.8Å; Q50-L54 WeakPolarHBondContact O-CG 3.32Å; Q50-L54 PolarHBondContact O-N 3.17Å; Q50-L77 HydrophobicContact CB-CD1 3.55Å; Q50-L77 HydrophobicContact CG-CD1 3.74Å
51	Y	94.3	Very high	93.7	Very high	29 Å²	29	26.4 Å²	26.4	11%	0.114	14%	0.142	C	C	.	.	H	α-helix	trans	-67.8	-39.2	176.7	-59.6	-43.8	0	0	0	112.8	P47 R48 M49 A53 L54 S55 H74 A219 W449	P47-Y51 HydrophobicContact CB-CE2 3.96Å; P47-Y51 WeakPolarHBondContact O-CD2 3.43Å; P47-Y51 VanDerWaalsContact O-CG 3.28Å; P47-Y51 PolarHBondContact O-N 3.09Å; R48-Y51 PolarHBondContact O-N 3.37Å; M49-Y51 VanDerWaalsContact C-N 3.34Å; Y51-A53 VanDerWaalsContact C-N 3.32Å; Y51-A53 PolarHBondContact O-N 3.43Å; Y51-L54 HydrophobicContact CD1-CD1 4.41Å; Y51-L54 PolarHBondContact O-N 2.73Å; Y51-S55 WeakPolarHBondContact O-CB 3.41Å; Y51-S55 PolarHBondContact O-N 2.7Å; Y51-S55 PolarHBondContact O-OG 2.71Å; Y51-H74 AromaticContact CE1-CE1 3.55Å; Y51-H74 AromaticContact CE1-ND1 3.69Å; Y51-H74 AromaticContact CZ-CE1 3.67Å; Y51-H74 PolarHBondContact OH-CE1 2.58Å; Y51-A219 HydrophobicContact CE1-CB 4.49Å; Y51-A219 WeakPolarHBondContact OH-CB 3.39Å; Y51-W449 VanDerWaalsContact CB-NE1 3.27Å; Y51-W449 HydrophobicContact CD2-CD2 4.2Å; Y51-W449 HydrophobicContact CD2-CE3 4.43Å; Y51-W449 HydrophobicContact CD2-CG 4.37Å; Y51-W449 HydrophobicContact CG-CD2 4.29Å; Y51-W449 HydrophobicContact CG-CG 4.22Å; Y51-W449 PolarHBondContact O-NE1 3.42Å
52	H	96.7	Very high	93.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-55.5	-46.7	168.8	-82	-46.2	0	0	0	112.2	R48 L54 L56 D155 W449 W453	R48-H52 PolarHBondContact O-CD2 3.5Å; R48-H52 PolarHBondContact O-N 2.99Å; H52-L54 PolarHBondContact O-N 3.41Å; H52-L56 WeakPolarHBondContact O-CB 3.38Å; H52-L56 WeakPolarHBondContact O-CD1 3.41Å; H52-L56 VanDerWaalsContact O-CG 3.23Å; H52-L56 WeakPolarHBondContact O-CG 3.41Å; H52-L56 PolarHBondContact O-N 3.28Å; H52-D155 IonicContact CD2-OD2 2.96Å; H52-D155 IonicContact NE2-OD2 3.24Å; H52-D155 PolarHBondContact NE2-OD2 2.96Å; H52-D155 VanDerWaalsContact NE2-OD2 3.15Å; H52-W449 AromaticContact CE1-CH2 3.68Å; H52-W449 AromaticContact CE1-CZ2 3.57Å; H52-W449 AromaticContact CG-CZ2 3.95Å; H52-W449 AromaticContact ND1-CZ2 3.55Å; H52-W449 AromaticContact NE2-CH2 3.78Å; H52-W449 AromaticContact NE2-CZ2 3.98Å; H52-W453 AromaticContact CE1-CD1 3.6Å; H52-W453 AromaticContact CE1-NE1 3.34Å; H52-W453 PolarHBondContact CE1-NE1 3.04Å; H52-W453 VanDerWaalsContact CE1-NE1 3.34Å; H52-W453 AromaticContact ND1-CD1 3.37Å; H52-W453 AromaticContact ND1-CE2 3.97Å; H52-W453 AromaticContact ND1-NE1 2.85Å; H52-W453 PolarHBondContact ND1-NE1 3.38Å
53	A	97	Very high	94.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.2	-41.6	179	0	0	0	0	0	112.3	M49 Q50 Y51 A57 V63 L65 L77 I83	M49-A53 PolarHBondContact O-N 2.74Å; Q50-A53 PolarHBondContact O-N 2.8Å; Y51-A53 VanDerWaalsContact C-N 3.32Å; Y51-A53 PolarHBondContact O-N 3.43Å; A53-A57 WeakPolarHBondContact O-CB 3.44Å; A53-A57 PolarHBondContact O-N 2.9Å; A53-V63 HydrophobicContact CB-CG1 3.88Å; A53-L65 HydrophobicContact CB-CD2 4.43Å; A53-L77 HydrophobicContact CB-CD1 4.35Å; A53-I83 HydrophobicContact CB-CD1 4.23Å
54	L	96.1	Very high	94.3	Very high	13 Å²	13	27.4 Å²	27.4	7%	0.068	15%	0.148	C	C	.	.	H	α-helix	trans	-64.6	-51.1	176.7	-74.5	166.4	0	0	0	111.9	Q50 Y51 H52 L56 A57 M58 E76 L77 I83	Q50-L54 WeakPolarHBondContact O-CG 3.32Å; Q50-L54 PolarHBondContact O-N 3.17Å; Y51-L54 HydrophobicContact CD1-CD1 4.41Å; Y51-L54 PolarHBondContact O-N 2.73Å; H52-L54 PolarHBondContact O-N 3.41Å; L54-L56 VanDerWaalsContact C-N 3.32Å; L54-L56 PolarHBondContact O-N 3.08Å; L54-A57 WeakPolarHBondContact O-CB 3.08Å; L54-A57 PolarHBondContact O-N 2.82Å; L54-A57 VanDerWaalsContact O-N 3.09Å; L54-M58 WeakPolarHBondContact O-CG 3.46Å; L54-M58 PolarHBondContact O-N 2.86Å; L54-E76 HydrophobicContact CD1-CB 4.4Å; L54-E76 HydrophobicContact CD2-CB 4.12Å; L54-L77 HydrophobicContact CD2-CB 4.32Å; L54-L77 HydrophobicContact CG-CB 4.49Å; L54-I83 HydrophobicContact CD2-CD1 3.89Å; L54-I83 HydrophobicContact CG-CD1 4.29Å
55	S	95.8	Very high	94.7	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.021	14%	0.139	C	C	.	.	H	α-helix	trans	-60.8	-40.5	178.9	-65.9	0	0	0	0	112.1	Y51 M58 H59 W449 D450 W453	Y51-S55 WeakPolarHBondContact O-CB 3.41Å; Y51-S55 PolarHBondContact O-N 2.7Å; Y51-S55 PolarHBondContact O-OG 2.71Å; S55-M58 PolarHBondContact O-N 3.4Å; S55-H59 PolarHBondContact O-N 3.38Å; S55-H59 VanDerWaalsContact O-N 3.17Å; S55-H59 PolarHBondContact O-ND1 2.69Å; S55-W449 PolarHBondContact OG-NE1 2.89Å; S55-D450 WeakPolarHBondContact CA-OD1 3.18Å; S55-D450 WeakPolarHBondContact CB-OD1 3.38Å; S55-D450 PolarHBondContact OG-OD1 2.87Å; S55-W453 VanDerWaalsContact CB-CD2 3.46Å; S55-W453 VanDerWaalsContact CB-CE3 3.47Å
56	L	96.3	Very high	95.1	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.8	-46.1	172.4	-76.8	166.2	0	0	0	111.9	V35 H52 L54 M58 H59 G60 F61 V63 W453 V461	V35-L56 HydrophobicContact CB-CD1 4.05Å; V35-L56 HydrophobicContact CG1-CD1 3.69Å; V35-L56 HydrophobicContact CG2-CD1 4.3Å; V35-L56 HydrophobicContact CG2-CD2 4.08Å; H52-L56 WeakPolarHBondContact O-CB 3.38Å; H52-L56 WeakPolarHBondContact O-CD1 3.41Å; H52-L56 VanDerWaalsContact O-CG 3.23Å; H52-L56 WeakPolarHBondContact O-CG 3.41Å; H52-L56 PolarHBondContact O-N 3.28Å; L54-L56 VanDerWaalsContact C-N 3.32Å; L54-L56 PolarHBondContact O-N 3.08Å; L56-M58 PolarHBondContact O-N 3.15Å; L56-H59 CarbonylContact O-C 3.56Å; L56-H59 PolarHBondContact O-N 2.87Å; L56-G60 PolarHBondContact O-N 3Å; L56-F61 HydrophobicContact CB-CB 4.21Å; L56-F61 HydrophobicContact CD2-CB 4.5Å; L56-F61 HydrophobicContact CD2-CD2 3.94Å; L56-F61 HydrophobicContact CD2-CE2 4.28Å; L56-F61 HydrophobicContact CD2-CG 4.08Å; L56-F61 WeakPolarHBondContact O-CB 3.32Å; L56-F61 WeakPolarHBondContact O-CD2 3.19Å; L56-F61 PolarHBondContact O-N 3.13Å; L56-F61 VanDerWaalsContact O-N 3.08Å; L56-V63 HydrophobicContact CB-CG2 3.69Å; L56-V63 HydrophobicContact CD1-CG2 4.42Å; L56-W453 HydrophobicContact CD2-CH2 3.76Å; L56-W453 HydrophobicContact CD2-CZ2 3.89Å; L56-W453 HydrophobicContact CG-CH2 4.02Å; L56-W453 HydrophobicContact CG-CZ2 3.88Å; L56-V461 HydrophobicContact CD2-CG2 4.48Å
57	A	95.5	Very high	95.3	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.008	10%	0.103	C	C	.	.	H	α-helix	trans	-64.4	-39.6	179.7	0	0	0	0	0	112.8	A53 L54 H59 G60 F61 R82 I83	A53-A57 WeakPolarHBondContact O-CB 3.44Å; A53-A57 PolarHBondContact O-N 2.9Å; L54-A57 WeakPolarHBondContact O-CB 3.08Å; L54-A57 PolarHBondContact O-N 2.82Å; L54-A57 VanDerWaalsContact O-N 3.09Å; A57-H59 PolarHBondContact O-N 3.11Å; A57-G60 PolarHBondContact O-N 3.06Å; A57-F61 WeakPolarHBondContact CA-O 3.34Å; A57-R82 HydrophobicContact CB-CB 4.08Å; A57-R82 WeakPolarHBondContact O-CD 3.49Å; A57-R82 PolarHBondContact O-NH1 3.27Å; A57-I83 HydrophobicContact CB-CD1 3.84Å; A57-I83 HydrophobicContact CB-CG1 3.68Å
58	M	94.1	Very high	95.4	Very high	116 Å²	116	16.6 Å²	16.6	57%	0.571	10%	0.095	S	C	*	.	H	α-helix	trans	-59.1	-38.5	174.4	-72.8	172.6	67	0	0	111.1	L54 S55 L56 G60 D450	L54-M58 WeakPolarHBondContact O-CG 3.46Å; L54-M58 PolarHBondContact O-N 2.86Å; S55-M58 PolarHBondContact O-N 3.4Å; L56-M58 PolarHBondContact O-N 3.15Å; M58-G60 VanDerWaalsContact C-N 3.3Å; M58-G60 PolarHBondContact O-N 3.07Å; M58-D450 WeakPolarHBondContact CE-OD2 3.47Å
59	H	93.8	Very high	95.3	Very high	64 Å²	64	19.7 Å²	19.7	30%	0.296	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	23.6	-178.7	-64.5	86.2	0	0	0	114.3	S55 L56 A57 D450 V454 L458	S55-H59 PolarHBondContact O-N 3.38Å; S55-H59 VanDerWaalsContact O-N 3.17Å; S55-H59 PolarHBondContact O-ND1 2.69Å; L56-H59 CarbonylContact O-C 3.56Å; L56-H59 PolarHBondContact O-N 2.87Å; A57-H59 PolarHBondContact O-N 3.11Å; H59-D450 IonicContact CE1-OD1 2.84Å; H59-D450 IonicContact CE1-OD2 3.68Å; H59-V454 WeakPolarHBondContact CE1-CG2 3.44Å; H59-V454 VanDerWaalsContact NE2-CG2 3.3Å; H59-V454 WeakPolarHBondContact NE2-CG2 3.47Å; H59-L458 HydrophobicContact CB-CD1 3.85Å
60	G	93	Very high	94.9	Very high	41 Å²	41	25 Å²	25	42%	0.423	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.1	4.6	166.7	0	0	0	0	0	116	L56 A57 M58	L56-G60 PolarHBondContact O-N 3Å; A57-G60 PolarHBondContact O-N 3.06Å; M58-G60 VanDerWaalsContact C-N 3.3Å; M58-G60 PolarHBondContact O-N 3.07Å
61	F	94.8	Very high	94.5	Very high	3 Å²	3	26.5 Å²	26.5	1%	0.013	16%	0.156	C	C	.	.			trans	-83.2	143.5	174	-63.5	-97.7	0	0	0	110.9	R33 V35 L56 A57 L458 V461	R33-F61 HydrophobicContact CB-CD1 3.57Å; R33-F61 HydrophobicContact CB-CE1 3.81Å; R33-F61 HydrophobicContact CB-CG 4.36Å; R33-F61 HydrophobicContact CG-CE1 4.33Å; R33-F61 WeakPolarHBondContact O-CA 3.34Å; V35-F61 HydrophobicContact CG2-CB 4.39Å; V35-F61 HydrophobicContact CG2-CD1 3.67Å; V35-F61 HydrophobicContact CG2-CE1 4.27Å; V35-F61 HydrophobicContact CG2-CG 4.25Å; L56-F61 HydrophobicContact CB-CB 4.21Å; L56-F61 HydrophobicContact CD2-CB 4.5Å; L56-F61 HydrophobicContact CD2-CD2 3.94Å; L56-F61 HydrophobicContact CD2-CE2 4.28Å; L56-F61 HydrophobicContact CD2-CG 4.08Å; L56-F61 WeakPolarHBondContact O-CB 3.32Å; L56-F61 WeakPolarHBondContact O-CD2 3.19Å; L56-F61 PolarHBondContact O-N 3.13Å; L56-F61 VanDerWaalsContact O-N 3.08Å; A57-F61 WeakPolarHBondContact CA-O 3.34Å; F61-L458 HydrophobicContact CE2-CD1 4.36Å; F61-V461 HydrophobicContact CE2-CG2 4.4Å; F61-V461 HydrophobicContact CZ-CB 4.49Å; F61-V461 HydrophobicContact CZ-CG2 4.09Å
62	S	95.8	Very high	94.2	Very high	51 Å²	51	31.8 Å²	31.8	36%	0.357	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	139.9	158.6	-62.9	0	0	0	0	108.7	R33 H34 V35	R33-S62 PolarHBondContact O-N 2.81Å; H34-S62 CarbonylContact C-O 3.59Å; H34-S62 WeakPolarHBondContact CA-O 3.3Å; H34-S62 PolarHBondContact CD2-O 3.05Å; H34-S62 VanDerWaalsContact CD2-O 3.22Å; V35-S62 PolarHBondContact N-O 3.1Å
63	V	96.9	Very high	93.9	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	125.7	-175.2	-174.9	0	0	0	0	110.8	V35 A37 A53 L56 R82 I83 Q84	V35-V63 CarbonylContact O-C 3.57Å; V35-V63 VanDerWaalsContact O-CA 3.31Å; V35-V63 WeakPolarHBondContact O-CA 3.39Å; A37-V63 HydrophobicContact CB-CG1 4.36Å; A53-V63 HydrophobicContact CB-CG1 3.88Å; L56-V63 HydrophobicContact CB-CG2 3.69Å; L56-V63 HydrophobicContact CD1-CG2 4.42Å; V63-R82 PolarHBondContact N-O 3.13Å; V63-I83 HydrophobicContact CB-CG1 4.31Å; V63-I83 CarbonylContact O-C 3.54Å; V63-I83 WeakPolarHBondContact O-CA 3.49Å; V63-Q84 PolarHBondContact O-N 2.98Å
64	T	97.1	Very high	93.4	Very high	6 Å²	6	35.2 Å²	35.2	4%	0.037	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	115.1	163.9	-62.6	0	0	0	0	109.1	H34 V35 V36 A37 L66 Q84 V86	H34-T64 PolarHBondContact CE1-OG1 3.26Å; H34-T64 PolarHBondContact NE2-OG1 2.92Å; V35-T64 PolarHBondContact O-N 2.98Å; V36-T64 CarbonylContact C-O 3.57Å; V36-T64 WeakPolarHBondContact CA-O 3.46Å; A37-T64 PolarHBondContact N-O 3.28Å; T64-L66 HydrophobicContact CG2-CD1 3.82Å; T64-L66 HydrophobicContact CG2-CG 4.2Å; T64-Q84 CarbonylContact C-O 3.53Å; T64-Q84 WeakPolarHBondContact CA-O 3.09Å; T64-V86 HydrophobicContact CG2-CB 4.44Å; T64-V86 HydrophobicContact CG2-CG2 3.75Å
65	L	97.1	Very high	93.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	107.7	177.6	-177.8	59.4	0	0	0	110.4	A37 V39 V43 A53 L77 Q84 I85 V86	A37-L65 HydrophobicContact CB-CD1 3.55Å; A37-L65 CarbonylContact O-C 3.51Å; A37-L65 WeakPolarHBondContact O-CA 3.43Å; V39-L65 HydrophobicContact CG2-CD1 4.2Å; V43-L65 HydrophobicContact CG1-CD2 3.53Å; V43-L65 HydrophobicContact CG1-CG 4.12Å; V43-L65 HydrophobicContact CG2-CG 4.44Å; A53-L65 HydrophobicContact CB-CD2 4.43Å; L65-L77 HydrophobicContact CD2-CD1 3.8Å; L65-L77 HydrophobicContact CD2-CD2 4.11Å; L65-Q84 PolarHBondContact N-O 2.99Å; L65-I85 CarbonylContact O-C 3.5Å; L65-I85 WeakPolarHBondContact O-CA 3.47Å; L65-V86 PolarHBondContact O-N 2.95Å
66	L	96.3	Very high	92.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	128.5	178.7	-71.9	117.9	0	0	0	111.4	V36 A37 V38 V39 T64 V86 L88 K117 L118	V36-L66 HydrophobicContact CG1-CD1 3.22Å; A37-L66 PolarHBondContact O-N 3.23Å; V38-L66 HydrophobicContact CG2-CD1 4.32Å; V39-L66 PolarHBondContact N-O 2.92Å; T64-L66 HydrophobicContact CG2-CD1 3.82Å; T64-L66 HydrophobicContact CG2-CG 4.2Å; L66-V86 WeakPolarHBondContact CA-O 3.3Å; L66-V86 HydrophobicContact CD2-CB 4.13Å; L66-V86 HydrophobicContact CD2-CG1 3.89Å; L66-V86 HydrophobicContact CG-CB 4.09Å; L66-V86 HydrophobicContact CG-CG1 4.41Å; L66-L88 HydrophobicContact CB-CD1 4.5Å; L66-L88 HydrophobicContact CB-CG 4.49Å; L66-L88 HydrophobicContact CD2-CD2 3.93Å; L66-K117 HydrophobicContact CD2-CB 4.2Å; L66-L118 HydrophobicContact CD1-CD2 3.97Å
67	G	95.3	Very high	92.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.2	-174.9	170.2	0	0	0	0	0	113.3	V39 V86 G87 L88	V39-G67 WeakPolarHBondContact O-CA 3.33Å; G67-V86 PolarHBondContact N-O 3.47Å; G67-G87 CarbonylContact O-C 3.21Å; G67-G87 WeakPolarHBondContact O-CA 3.25Å; G67-L88 PolarHBondContact O-N 3.4Å
68	F	93.3	Very high	92.4	Very high	13 Å²	13	48.4 Å²	48.4	6%	0.057	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	137.1	174.3	-50.1	-38.2	0	0	0	109.5	L40 G41 D42 V43 L88 E90	L40-F68 HydrophobicContact CD1-CZ 4.23Å; G41-F68 VanDerWaalsContact C-CD2 3.5Å; G41-F68 PolarHBondContact O-N 2.92Å; D42-F68 WeakPolarHBondContact CA-O 3.47Å; V43-F68 PolarHBondContact N-O 3.31Å; F68-L88 HydrophobicContact CD1-CB 3.7Å; F68-L88 WeakPolarHBondContact CD1-O 3.26Å; F68-L88 HydrophobicContact CE1-CB 3.79Å; F68-E90 HydrophobicContact CD1-CB 4.14Å; F68-E90 HydrophobicContact CD2-CB 4.39Å; F68-E90 HydrophobicContact CE1-CB 3.88Å; F68-E90 HydrophobicContact CE2-CB 4.14Å; F68-E90 HydrophobicContact CE2-CG 4.14Å; F68-E90 HydrophobicContact CG-CB 4.41Å; F68-E90 HydrophobicContact CZ-CB 3.89Å; F68-E90 HydrophobicContact CZ-CG 4.05Å
69	C	90.5	Very high	92.3	Very high	69 Å²	69	49.7 Å²	49.7	47%	0.466	27%	0.267	S	S	.	.			trans	-105.8	53.5	-179.5	-60.2	0	0	0	0	110.4
70	N	87.6	Confident	92.3	Very high	112 Å²	112	48.6 Å²	48.6	60%	0.599	26%	0.263	S	S	*	.	S	Bend	trans	-86.8	-28	-174.7	-62.7	-19.9	0	0	0	111.8	D42	D42-N70 PolarHBondContact OD1-N 3.17Å
71	S	86.6	Confident	92.4	Very high	33 Å²	33	54.7 Å²	54.7	23%	0.231	29%	0.286	C	S	.	.	S	Bend	trans	-120.2	153.2	175.5	-52.1	0	0	0	0	110.9	D42 R45 P73	D42-S71 PolarHBondContact OD1-N 2.94Å; D42-S71 WeakPolarHBondContact OD2-CB 3.28Å; D42-S71 PolarHBondContact OD2-N 3.38Å; D42-S71 PolarHBondContact OD2-OG 3.13Å; R45-S71 PolarHBondContact NE-OG 3.49Å; S71-P73 WeakPolarHBondContact O-CD 3.34Å
72	K	89.8	Confident	92.5	Very high	141 Å²	141	60.4 Å²	60.4	61%	0.613	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-65.1	123.9	176.8	-170.2	-167.7	170.2	-164.6	0	110.1	D75 L78	K72-D75 WeakPolarHBondContact CE-OD1 3.48Å; K72-D75 VanDerWaalsContact NZ-CG 3.29Å; K72-D75 IonicContact NZ-OD1 2.67Å; K72-D75 PolarHBondContact NZ-OD1 3.33Å; K72-D75 IonicContact NZ-OD2 3.13Å; K72-D75 PolarHBondContact NZ-OD2 2.89Å; K72-D75 VanDerWaalsContact NZ-OD2 3.13Å; K72-L78 HydrophobicContact CG-CD1 4.22Å
73	P	90	Very high	92.5	Very high	17 Å²	17	58.8 Å²	58.8	11%	0.11	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-69	173	169.8	-18.8	33.7	0	0	0	112.7	V43 S71 L77 L78 I85	V43-P73 HydrophobicContact CG1-CG 4.26Å; S71-P73 WeakPolarHBondContact O-CD 3.34Å; P73-L77 HydrophobicContact CB-CD2 4.41Å; P73-L78 HydrophobicContact CB-CD2 4.49Å; P73-L78 HydrophobicContact CG-CD2 4.29Å; P73-I85 HydrophobicContact CB-CD1 4.36Å; P73-I85 HydrophobicContact CG-CD1 3.84Å
74	H	86.6	Confident	92.4	Very high	55 Å²	55	64 Å²	64	26%	0.255	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-58	140.8	174	-65	166.8	0	0	0	111.7	Y51 E76 L77 L78	Y51-H74 AromaticContact CE1-CE1 3.55Å; Y51-H74 AromaticContact CE1-ND1 3.69Å; Y51-H74 AromaticContact CZ-CE1 3.67Å; Y51-H74 PolarHBondContact OH-CE1 2.58Å; H74-E76 VanDerWaalsContact C-N 3.27Å; H74-E76 PolarHBondContact O-N 3.39Å; H74-L77 WeakPolarHBondContact O-CB 3.42Å; H74-L77 PolarHBondContact O-N 3.03Å; H74-L78 PolarHBondContact O-N 2.81Å
75	D	88.1	Confident	92.4	Very high	78 Å²	78	66.1 Å²	66.1	42%	0.417	33%	0.33	S	S	.	.	H	α-helix	trans	-60.4	-37.2	-178.1	-75.5	-45	0	0	0	112.4	K72 L77 L78 Q79	K72-D75 WeakPolarHBondContact CE-OD1 3.48Å; K72-D75 VanDerWaalsContact NZ-CG 3.29Å; K72-D75 IonicContact NZ-OD1 2.67Å; K72-D75 PolarHBondContact NZ-OD1 3.33Å; K72-D75 IonicContact NZ-OD2 3.13Å; K72-D75 PolarHBondContact NZ-OD2 2.89Å; K72-D75 VanDerWaalsContact NZ-OD2 3.13Å; D75-L77 PolarHBondContact O-N 2.87Å; D75-L78 PolarHBondContact O-N 2.81Å; D75-L78 VanDerWaalsContact O-N 3.16Å; D75-Q79 WeakPolarHBondContact O-CB 3.43Å; D75-Q79 VanDerWaalsContact O-CG 3.23Å; D75-Q79 WeakPolarHBondContact O-CG 3.46Å; D75-Q79 PolarHBondContact O-N 2.83Å
76	E	89.1	Confident	92.2	Very high	124 Å²	124	66.4 Å²	66.4	58%	0.579	33%	0.332	S	S	*	.	H	α-helix	trans	-57.7	-36.3	174.7	-66	179.9	-174.6	0	0	112.6	L54 H74 N80	L54-E76 HydrophobicContact CD1-CB 4.4Å; L54-E76 HydrophobicContact CD2-CB 4.12Å; H74-E76 VanDerWaalsContact C-N 3.27Å; H74-E76 PolarHBondContact O-N 3.39Å; E76-N80 WeakPolarHBondContact O-CB 3.32Å; E76-N80 PolarHBondContact O-N 3.35Å
77	L	91.8	Very high	92.1	Very high	2 Å²	2	68 Å²	68	1%	0.01	35%	0.348	C	S	.	.	H	α-helix	trans	-72.8	-39.8	179.5	-166.3	150.9	0	0	0	110.9	Q50 A53 L54 L65 P73 H74 D75 Q79 N80 I83 I85	Q50-L77 HydrophobicContact CB-CD1 3.55Å; Q50-L77 HydrophobicContact CG-CD1 3.74Å; A53-L77 HydrophobicContact CB-CD1 4.35Å; L54-L77 HydrophobicContact CD2-CB 4.32Å; L54-L77 HydrophobicContact CG-CB 4.49Å; L65-L77 HydrophobicContact CD2-CD1 3.8Å; L65-L77 HydrophobicContact CD2-CD2 4.11Å; P73-L77 HydrophobicContact CB-CD2 4.41Å; H74-L77 WeakPolarHBondContact O-CB 3.42Å; H74-L77 PolarHBondContact O-N 3.03Å; D75-L77 PolarHBondContact O-N 2.87Å; L77-Q79 VanDerWaalsContact C-N 3.31Å; L77-Q79 PolarHBondContact O-N 3.21Å; L77-N80 PolarHBondContact O-N 3.07Å; L77-I83 HydrophobicContact CD2-CG2 3.9Å; L77-I83 HydrophobicContact CG-CD1 4.09Å; L77-I83 HydrophobicContact CG-CG2 4.1Å; L77-I85 HydrophobicContact CD2-CD1 3.28Å; L77-I85 HydrophobicContact CD2-CG1 3.57Å
78	L	92.3	Very high	91.9	Very high	89 Å²	89	68.6 Å²	68.6	47%	0.466	35%	0.351	S	S	.	.	H	α-helix	trans	-68.1	-30.2	177	-64.1	173.4	0	0	0	112.8	K72 P73 H74 D75 I85	K72-L78 HydrophobicContact CG-CD1 4.22Å; P73-L78 HydrophobicContact CB-CD2 4.49Å; P73-L78 HydrophobicContact CG-CD2 4.29Å; H74-L78 PolarHBondContact O-N 2.81Å; D75-L78 PolarHBondContact O-N 2.81Å; D75-L78 VanDerWaalsContact O-N 3.16Å; L78-I85 HydrophobicContact CD2-CD1 3.71Å
79	Q	93.6	Very high	91.6	Very high	143 Å²	143	71.7 Å²	71.7	67%	0.668	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-8.7	-179.2	-67.1	171.1	19	0	0	113.3	D75 L77 N81	D75-Q79 WeakPolarHBondContact O-CB 3.43Å; D75-Q79 VanDerWaalsContact O-CG 3.23Å; D75-Q79 WeakPolarHBondContact O-CG 3.46Å; D75-Q79 PolarHBondContact O-N 2.83Å; L77-Q79 VanDerWaalsContact C-N 3.31Å; L77-Q79 PolarHBondContact O-N 3.21Å; Q79-N81 PolarHBondContact O-N 3.2Å
80	N	93.8	Very high	91.1	Very high	41 Å²	41	72.3 Å²	72.3	22%	0.219	37%	0.368	C	S	.	.			trans	-86.9	111.6	-174.7	-166.2	-42.4	0	0	0	112.5	E76 L77 R82 I83	E76-N80 WeakPolarHBondContact O-CB 3.32Å; E76-N80 PolarHBondContact O-N 3.35Å; L77-N80 PolarHBondContact O-N 3.07Å; N80-R82 PolarHBondContact O-N 3.49Å; N80-R82 WeakPolarHBondContact OD1-CB 3.44Å; N80-R82 PolarHBondContact OD1-N 3.07Å; N80-I83 HydrophobicContact CB-CB 4.34Å; N80-I83 HydrophobicContact CB-CD1 3.91Å; N80-I83 HydrophobicContact CB-CG1 4.03Å; N80-I83 PolarHBondContact O-N 3.39Å
81	N	94.9	Very high	90.7	Very high	169 Å²	169	69.1 Å²	69.1	90%	0.904	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-12.3	-178.6	-64.3	-25.3	0	0	0	115	Q79	Q79-N81 PolarHBondContact O-N 3.2Å
82	R	95.4	Very high	90	Very high	123 Å²	123	75.8 Å²	75.8	46%	0.464	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-9.6	175.4	-65.2	-178.5	177.2	161.8	-0.1	112.8	A57 V63 N80	A57-R82 HydrophobicContact CB-CB 4.08Å; A57-R82 WeakPolarHBondContact O-CD 3.49Å; A57-R82 PolarHBondContact O-NH1 3.27Å; V63-R82 PolarHBondContact N-O 3.13Å; N80-R82 PolarHBondContact O-N 3.49Å; N80-R82 WeakPolarHBondContact OD1-CB 3.44Å; N80-R82 PolarHBondContact OD1-N 3.07Å
83	I	96.6	Very high	88.8	Confident	18 Å²	18	73.8 Å²	73.8	9%	0.092	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	122.5	-177.5	-54.7	178.3	0	0	0	109.3	A53 L54 A57 V63 L77 N80	A53-I83 HydrophobicContact CB-CD1 4.23Å; L54-I83 HydrophobicContact CD2-CD1 3.89Å; L54-I83 HydrophobicContact CG-CD1 4.29Å; A57-I83 HydrophobicContact CB-CD1 3.84Å; A57-I83 HydrophobicContact CB-CG1 3.68Å; V63-I83 HydrophobicContact CB-CG1 4.31Å; V63-I83 CarbonylContact O-C 3.54Å; V63-I83 WeakPolarHBondContact O-CA 3.49Å; L77-I83 HydrophobicContact CD2-CG2 3.9Å; L77-I83 HydrophobicContact CG-CD1 4.09Å; L77-I83 HydrophobicContact CG-CG2 4.1Å; N80-I83 HydrophobicContact CB-CB 4.34Å; N80-I83 HydrophobicContact CB-CD1 3.91Å; N80-I83 HydrophobicContact CB-CG1 4.03Å; N80-I83 PolarHBondContact O-N 3.39Å
84	Q	95.8	Very high	87.6	Confident	112 Å²	112	76.6 Å²	76.6	52%	0.523	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	115.4	172.8	-173.4	178.4	23.5	0	0	110.2	V63 T64 L65 V86	V63-Q84 PolarHBondContact O-N 2.98Å; T64-Q84 CarbonylContact C-O 3.53Å; T64-Q84 WeakPolarHBondContact CA-O 3.09Å; L65-Q84 PolarHBondContact N-O 2.99Å; Q84-V86 HydrophobicContact CG-CG2 4.27Å
85	I	95.6	Very high	86.3	Confident	49 Å²	49	79 Å²	79	25%	0.251	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	129.6	172.9	-48.8	-178.8	0	0	0	109.5	L65 P73 L77 L78	L65-I85 CarbonylContact O-C 3.5Å; L65-I85 WeakPolarHBondContact O-CA 3.47Å; P73-I85 HydrophobicContact CB-CD1 4.36Å; P73-I85 HydrophobicContact CG-CD1 3.84Å; L77-I85 HydrophobicContact CD2-CD1 3.28Å; L77-I85 HydrophobicContact CD2-CG1 3.57Å; L78-I85 HydrophobicContact CD2-CD1 3.71Å
86	V	94.4	Very high	85	Confident	6 Å²	6	81.1 Å²	81.1	4%	0.036	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	111.3	177.4	178.8	0	0	0	0	109.5	T64 L65 L66 G67 Q84 L88	T64-V86 HydrophobicContact CG2-CB 4.44Å; T64-V86 HydrophobicContact CG2-CG2 3.75Å; L65-V86 PolarHBondContact O-N 2.95Å; L66-V86 WeakPolarHBondContact CA-O 3.3Å; L66-V86 HydrophobicContact CD2-CB 4.13Å; L66-V86 HydrophobicContact CD2-CG1 3.89Å; L66-V86 HydrophobicContact CG-CB 4.09Å; L66-V86 HydrophobicContact CG-CG1 4.41Å; G67-V86 PolarHBondContact N-O 3.47Å; Q84-V86 HydrophobicContact CG-CG2 4.27Å; V86-L88 PolarHBondContact O-N 2.89Å
87	G	93.6	Very high	84	Confident	34 Å²	34	77.2 Å²	77.2	35%	0.351	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	133.1	176.8	0	0	0	0	0	113.1	G67	G67-G87 CarbonylContact O-C 3.21Å; G67-G87 WeakPolarHBondContact O-CA 3.25Å
88	L	91.1	Very high	83.4	Confident	13 Å²	13	81.6 Å²	81.6	7%	0.068	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-96.7	150.3	163.3	-62.7	-179.2	0	0	0	109.9	L40 L66 G67 F68 V86 Y113 L114 K117	L40-L88 HydrophobicContact CD1-CD1 4.06Å; L66-L88 HydrophobicContact CB-CD1 4.5Å; L66-L88 HydrophobicContact CB-CG 4.49Å; L66-L88 HydrophobicContact CD2-CD2 3.93Å; G67-L88 PolarHBondContact O-N 3.4Å; F68-L88 HydrophobicContact CD1-CB 3.7Å; F68-L88 WeakPolarHBondContact CD1-O 3.26Å; F68-L88 HydrophobicContact CE1-CB 3.79Å; V86-L88 PolarHBondContact O-N 2.89Å; L88-Y113 HydrophobicContact CB-CE1 4.15Å; L88-Y113 HydrophobicContact CD2-CD1 4.21Å; L88-Y113 HydrophobicContact CD2-CE1 3.79Å; L88-L114 HydrophobicContact CD1-CD1 4.27Å; L88-K117 HydrophobicContact CD2-CB 4.29Å; L88-K117 HydrophobicContact CD2-CG 3.99Å
89	T	86	Confident	82.7	Confident	77 Å²	77	86.3 Å²	86.3	47%	0.472	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-94.2	123.2	175.5	-52.3	0	0	0	0	108.9	Q110 Y113	T89-Q110 PolarHBondContact O-NE2 3.32Å; T89-Q110 VanDerWaalsContact O-NE2 3.12Å; T89-Y113 VanDerWaalsContact N-CE1 3.3Å; T89-Y113 PolarHBondContact N-OH 2.85Å; T89-Y113 PolarHBondContact OG1-OH 2.95Å
90	E	80.9	Confident	82	Confident	83 Å²	83	83.9 Å²	83.9	39%	0.388	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-80.6	127.3	169.6	-171.7	170.7	-166.7	0	0	110	F68 Q92 K106	F68-E90 HydrophobicContact CD1-CB 4.14Å; F68-E90 HydrophobicContact CD2-CB 4.39Å; F68-E90 HydrophobicContact CE1-CB 3.88Å; F68-E90 HydrophobicContact CE2-CB 4.14Å; F68-E90 HydrophobicContact CE2-CG 4.14Å; F68-E90 HydrophobicContact CG-CB 4.41Å; F68-E90 HydrophobicContact CZ-CB 3.89Å; F68-E90 HydrophobicContact CZ-CG 4.05Å; E90-Q92 PolarHBondContact O-N 3.22Å; E90-K106 IonicContact OE1-NZ 2.81Å; E90-K106 PolarHBondContact OE1-NZ 2.86Å
91	L	79.2	Confident	81.4	Confident	45 Å²	45	88.1 Å²	88.1	24%	0.236	49%	0.485	C	S	.	.			trans	-74	114.8	168.5	-170.1	72.2	0	0	0	108.6	V105 F109	L91-V105 HydrophobicContact CD2-CG1 4.32Å; L91-F109 HydrophobicContact CB-CD1 3.7Å; L91-F109 HydrophobicContact CB-CE1 3.95Å; L91-F109 HydrophobicContact CB-CG 4.36Å; L91-F109 HydrophobicContact CD1-CD1 4.36Å; L91-F109 HydrophobicContact CD1-CE1 4.36Å; L91-F109 HydrophobicContact CD1-CG 4.43Å; L91-F109 HydrophobicContact CD1-CZ 4.44Å; L91-F109 HydrophobicContact CD2-CB 3.95Å; L91-F109 HydrophobicContact CD2-CD1 4.17Å; L91-F109 HydrophobicContact CD2-CG 3.99Å; L91-F109 HydrophobicContact CG-CD1 4.29Å
92	Q	70.7	Confident	80.8	Confident	173 Å²	173	82 Å²	82	81%	0.808	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-60.9	142.7	170.6	-66.1	-174.1	-11.1	0	0	109.7	E90 L94	E90-Q92 PolarHBondContact O-N 3.22Å; Q92-L94 PolarHBondContact O-N 3.39Å
93	S	65.6	Low	80.1	Confident	99 Å²	99	81.4 Å²	81.4	69%	0.692	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-55.5	130.8	178.1	50.6	0	0	0	0	110.3	A95	S93-A95 PolarHBondContact O-N 2.9Å
94	L	64.9	Low	79.7	Confident	75 Å²	75	82.2 Å²	82.2	39%	0.393	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-57.7	131	174.2	-64.9	172	0	0	0	109.1	Q92 V96 Q102 V105	Q92-L94 PolarHBondContact O-N 3.39Å; L94-V96 PolarHBondContact O-N 3.01Å; L94-V96 VanDerWaalsContact O-N 3.13Å; L94-Q102 HydrophobicContact CB-CG 4.3Å; L94-Q102 PolarHBondContact O-NE2 3.45Å; L94-V105 HydrophobicContact CD1-CB 4.37Å; L94-V105 HydrophobicContact CD1-CG1 4.1Å
95	A	59.1	Low	79.3	Confident	106 Å²	106	79.1 Å²	79.1	88%	0.876	45%	0.451	S	S	*	.	S	Bend	trans	-66	-15.7	-176.4	0	0	0	0	0	113.6	S93	S93-A95 PolarHBondContact O-N 2.9Å
96	V	61.9	Low	78.9	Confident	122 Å²	122	80.4 Å²	80.4	74%	0.739	46%	0.455	S	S	*	.	S	Bend	trans	-135	141.8	-171.5	-170.4	0	0	0	0	110.3	L94 Q102	L94-V96 PolarHBondContact O-N 3.01Å; L94-V96 VanDerWaalsContact O-N 3.13Å; V96-Q102 VanDerWaalsContact C-NE2 3.34Å; V96-Q102 PolarHBondContact O-NE2 3.05Å
97	G	67.8	Low	78.7	Confident	42 Å²	42	82.3 Å²	82.3	43%	0.433	47%	0.466	S	S	.	.	S	Bend	trans	120.1	168.9	170.5	0	0	0	0	0	115.3	Q102	G97-Q102 PolarHBondContact O-NE2 3.25Å; G97-Q102 VanDerWaalsContact O-NE2 3.12Å
98	P	79.3	Confident	78.6	Confident	94 Å²	94	84.8 Å²	84.8	61%	0.61	47%	0.474	S	S	*	.			trans	-62.3	136.1	176.5	-20.6	32.4	0	0	0	111.5	V100 F101 Q102	P98-V100 VanDerWaalsContact C-N 3.25Å; P98-V100 PolarHBondContact O-N 3.2Å; P98-V100 VanDerWaalsContact O-N 3.14Å; P98-F101 WeakPolarHBondContact O-CB 3.35Å; P98-F101 PolarHBondContact O-N 3.3Å; P98-Q102 PolarHBondContact O-N 2.73Å; P98-Q102 VanDerWaalsContact O-N 3.16Å
99	R	77.1	Confident	78.6	Confident	189 Å²	189	87.8 Å²	87.8	71%	0.713	49%	0.487	S	S	*	.	H	α-helix	trans	-51.5	-41.9	-177.2	-69.3	-175.8	-180	176.7	-0.3	113.1	F101 Q102 Y103	R99-F101 VanDerWaalsContact C-N 3.32Å; R99-F101 PolarHBondContact O-N 3.09Å; R99-Q102 WeakPolarHBondContact O-CB 3.42Å; R99-Q102 PolarHBondContact O-N 3.24Å; R99-Y103 HydrophobicContact CB-CD2 4.47Å; R99-Y103 HydrophobicContact CB-CE2 4.14Å; R99-Y103 WeakPolarHBondContact O-CD2 3.48Å; R99-Y103 PolarHBondContact O-N 2.74Å
100	V	79.1	Confident	78.9	Confident	92 Å²	92	84.3 Å²	84.3	56%	0.558	47%	0.466	S	S	*	.	H	α-helix	trans	-59.1	-42.4	178.3	-177.6	0	0	0	0	112.1	P98 Y103 G104 L174	P98-V100 VanDerWaalsContact C-N 3.25Å; P98-V100 PolarHBondContact O-N 3.2Å; P98-V100 VanDerWaalsContact O-N 3.14Å; V100-Y103 PolarHBondContact O-N 2.82Å; V100-G104 PolarHBondContact O-N 2.83Å; V100-L174 HydrophobicContact CG1-CD2 4.4Å; V100-L174 HydrophobicContact CG2-CD1 4.35Å
101	F	81.3	Confident	79.6	Confident	130 Å²	130	81.5 Å²	81.5	57%	0.57	46%	0.456	S	S	*	.	H	α-helix	trans	-66.8	-41.9	178.1	180	-102.1	0	0	0	111.2	P98 R99 Y103 G104 V105	P98-F101 WeakPolarHBondContact O-CB 3.35Å; P98-F101 PolarHBondContact O-N 3.3Å; R99-F101 VanDerWaalsContact C-N 3.32Å; R99-F101 PolarHBondContact O-N 3.09Å; F101-Y103 PolarHBondContact O-N 2.88Å; F101-G104 PolarHBondContact O-N 2.95Å; F101-V105 HydrophobicContact CD1-CG2 4.14Å; F101-V105 HydrophobicContact CE1-CG2 3.7Å; F101-V105 HydrophobicContact CE2-CG2 4.1Å; F101-V105 HydrophobicContact CZ-CG2 3.68Å; F101-V105 WeakPolarHBondContact O-CG2 3.3Å; F101-V105 PolarHBondContact O-N 3.33Å
102	Q	81.7	Confident	80.2	Confident	41 Å²	41	85.6 Å²	85.6	19%	0.192	48%	0.476	C	S	.	.	H	α-helix	trans	-61.2	-43.1	176.4	-61	178.8	-7	0	0	111.9	L94 V96 G97 P98 R99 V105 K106	L94-Q102 HydrophobicContact CB-CG 4.3Å; L94-Q102 PolarHBondContact O-NE2 3.45Å; V96-Q102 VanDerWaalsContact C-NE2 3.34Å; V96-Q102 PolarHBondContact O-NE2 3.05Å; G97-Q102 PolarHBondContact O-NE2 3.25Å; G97-Q102 VanDerWaalsContact O-NE2 3.12Å; P98-Q102 PolarHBondContact O-N 2.73Å; P98-Q102 VanDerWaalsContact O-N 3.16Å; R99-Q102 WeakPolarHBondContact O-CB 3.42Å; R99-Q102 PolarHBondContact O-N 3.24Å; Q102-V105 PolarHBondContact O-N 3.44Å; Q102-K106 WeakPolarHBondContact O-CB 3.23Å; Q102-K106 PolarHBondContact O-N 2.88Å
103	Y	81.6	Confident	81.3	Confident	109 Å²	109	78.8 Å²	78.8	43%	0.427	44%	0.443	S	S	.	.	H	α-helix	trans	-60.2	-47.1	173.4	-73.1	-62.3	0	0	0	111.5	R99 V100 F101 V105 K106 V107	R99-Y103 HydrophobicContact CB-CD2 4.47Å; R99-Y103 HydrophobicContact CB-CE2 4.14Å; R99-Y103 WeakPolarHBondContact O-CD2 3.48Å; R99-Y103 PolarHBondContact O-N 2.74Å; V100-Y103 PolarHBondContact O-N 2.82Å; F101-Y103 PolarHBondContact O-N 2.88Å; Y103-V105 PolarHBondContact O-N 2.87Å; Y103-K106 PolarHBondContact O-N 2.62Å; Y103-V107 WeakPolarHBondContact O-CB 3.44Å; Y103-V107 VanDerWaalsContact O-CG2 3.28Å; Y103-V107 WeakPolarHBondContact O-CG2 3.25Å; Y103-V107 PolarHBondContact O-N 2.86Å
104	G	86.2	Confident	82.7	Confident	36 Å²	36	74.1 Å²	74.1	37%	0.371	41%	0.41	S	S	.	.	H	α-helix	trans	-57.6	-48.1	177.7	0	0	0	0	0	112.6	V100 F101 V107 V108	V100-G104 PolarHBondContact O-N 2.83Å; F101-G104 PolarHBondContact O-N 2.95Å; G104-V107 PolarHBondContact O-N 3.37Å; G104-V108 WeakPolarHBondContact O-CG2 3.32Å; G104-V108 PolarHBondContact O-N 2.77Å
105	V	87.4	Confident	84.1	Confident	47 Å²	47	72.6 Å²	72.6	29%	0.285	40%	0.402	S	S	.	.	H	α-helix	trans	-61.8	-45.1	176.9	174	0	0	0	0	111.2	L91 L94 F101 Q102 Y103 V107 V108 F109	L91-V105 HydrophobicContact CD2-CG1 4.32Å; L94-V105 HydrophobicContact CD1-CB 4.37Å; L94-V105 HydrophobicContact CD1-CG1 4.1Å; F101-V105 HydrophobicContact CD1-CG2 4.14Å; F101-V105 HydrophobicContact CE1-CG2 3.7Å; F101-V105 HydrophobicContact CE2-CG2 4.1Å; F101-V105 HydrophobicContact CZ-CG2 3.68Å; F101-V105 WeakPolarHBondContact O-CG2 3.3Å; F101-V105 PolarHBondContact O-N 3.33Å; Q102-V105 PolarHBondContact O-N 3.44Å; Y103-V105 PolarHBondContact O-N 2.87Å; V105-V107 VanDerWaalsContact C-N 3.34Å; V105-V107 PolarHBondContact O-N 2.87Å; V105-V108 PolarHBondContact O-N 3.19Å; V105-F109 WeakPolarHBondContact O-CB 3.26Å; V105-F109 PolarHBondContact O-N 3.22Å
106	K	88.1	Confident	85.8	Confident	75 Å²	75	74.2 Å²	74.2	33%	0.326	39%	0.386	S	S	.	.	H	α-helix	trans	-58.6	-45.9	177.1	-173.5	175.5	-175.4	174	0	111	E90 Q102 Y103 Q110	E90-K106 IonicContact OE1-NZ 2.81Å; E90-K106 PolarHBondContact OE1-NZ 2.86Å; Q102-K106 WeakPolarHBondContact O-CB 3.23Å; Q102-K106 PolarHBondContact O-N 2.88Å; Y103-K106 PolarHBondContact O-N 2.62Å; K106-Q110 HydrophobicContact CG-CG 4.45Å; K106-Q110 WeakPolarHBondContact O-CB 3.29Å; K106-Q110 VanDerWaalsContact O-CG 3.28Å; K106-Q110 WeakPolarHBondContact O-CG 3.29Å; K106-Q110 PolarHBondContact O-N 2.8Å
107	V	90.6	Very high	87.3	Confident	46 Å²	46	70.2 Å²	70.2	28%	0.279	36%	0.358	S	S	.	.	H	α-helix	trans	-63.4	-47.2	179.1	171.5	0	0	0	0	111.2	Y103 G104 V105 Q110 A111 L135 P136	Y103-V107 WeakPolarHBondContact O-CB 3.44Å; Y103-V107 VanDerWaalsContact O-CG2 3.28Å; Y103-V107 WeakPolarHBondContact O-CG2 3.25Å; Y103-V107 PolarHBondContact O-N 2.86Å; G104-V107 PolarHBondContact O-N 3.37Å; V105-V107 VanDerWaalsContact C-N 3.34Å; V105-V107 PolarHBondContact O-N 2.87Å; V107-Q110 PolarHBondContact O-N 3.04Å; V107-A111 WeakPolarHBondContact O-CB 3.44Å; V107-A111 PolarHBondContact O-N 3.38Å; V107-L135 HydrophobicContact CG1-CD1 4.3Å; V107-L135 HydrophobicContact CG1-CG 4.23Å; V107-L135 HydrophobicContact CG2-CD2 4.28Å; V107-L135 HydrophobicContact CG2-CG 4.43Å; V107-P136 HydrophobicContact CG1-CB 4.01Å; V107-P136 HydrophobicContact CG1-CG 4.3Å
108	V	91.6	Very high	88.5	Confident	87 Å²	87	68.6 Å²	68.6	53%	0.527	34%	0.34	S	S	.	.	H	α-helix	trans	-63.8	-46.1	179.6	172.6	0	0	0	0	111.3	G104 V105 A111 M112	G104-V108 WeakPolarHBondContact O-CG2 3.32Å; G104-V108 PolarHBondContact O-N 2.77Å; V105-V108 PolarHBondContact O-N 3.19Å; V108-A111 PolarHBondContact O-N 2.91Å; V108-M112 HydrophobicContact CG1-SD 4.09Å; V108-M112 WeakPolarHBondContact O-CG 3.44Å; V108-M112 PolarHBondContact O-N 3.02Å
109	F	91.6	Very high	89.1	Confident	75 Å²	75	64.5 Å²	64.5	33%	0.329	31%	0.312	S	S	.	.	H	α-helix	trans	-59.4	-49.6	177.2	176.4	-90.2	0	0	0	111.3	L91 V105 A111 M112 Y113	L91-F109 HydrophobicContact CB-CD1 3.7Å; L91-F109 HydrophobicContact CB-CE1 3.95Å; L91-F109 HydrophobicContact CB-CG 4.36Å; L91-F109 HydrophobicContact CD1-CD1 4.36Å; L91-F109 HydrophobicContact CD1-CE1 4.36Å; L91-F109 HydrophobicContact CD1-CG 4.43Å; L91-F109 HydrophobicContact CD1-CZ 4.44Å; L91-F109 HydrophobicContact CD2-CB 3.95Å; L91-F109 HydrophobicContact CD2-CD1 4.17Å; L91-F109 HydrophobicContact CD2-CG 3.99Å; L91-F109 HydrophobicContact CG-CD1 4.29Å; V105-F109 WeakPolarHBondContact O-CB 3.26Å; V105-F109 PolarHBondContact O-N 3.22Å; F109-A111 VanDerWaalsContact C-N 3.28Å; F109-A111 PolarHBondContact O-N 3.07Å; F109-M112 PolarHBondContact O-N 2.99Å; F109-Y113 HydrophobicContact CE1-CG 4.4Å; F109-Y113 HydrophobicContact CZ-CD2 4.37Å; F109-Y113 VanDerWaalsContact O-CB 3.24Å; F109-Y113 WeakPolarHBondContact O-CB 3.38Å; F109-Y113 PolarHBondContact O-N 2.89Å
110	Q	91.9	Very high	89.6	Confident	5 Å²	5	64.5 Å²	64.5	2%	0.023	31%	0.313	C	S	.	.	H	α-helix	trans	-61.8	-37.6	178.7	-73.5	-61.1	-17.9	0	0	111.6	L40 T89 K106 V107 L114 P136	L40-Q110 HydrophobicContact CD2-CB 4.44Å; T89-Q110 PolarHBondContact O-NE2 3.32Å; T89-Q110 VanDerWaalsContact O-NE2 3.12Å; K106-Q110 HydrophobicContact CG-CG 4.45Å; K106-Q110 WeakPolarHBondContact O-CB 3.29Å; K106-Q110 VanDerWaalsContact O-CG 3.28Å; K106-Q110 WeakPolarHBondContact O-CG 3.29Å; K106-Q110 PolarHBondContact O-N 2.8Å; V107-Q110 PolarHBondContact O-N 3.04Å; Q110-L114 WeakPolarHBondContact O-CB 3.39Å; Q110-L114 PolarHBondContact O-N 3.14Å; Q110-P136 HydrophobicContact CB-CG 4.21Å
111	A	94.4	Very high	90.1	Very high	23 Å²	23	64.1 Å²	64.1	19%	0.19	30%	0.301	C	S	.	.	H	α-helix	trans	-62.6	-49.4	176.5	0	0	0	0	0	111.9	V107 V108 F109 L115 P136 V140	V107-A111 WeakPolarHBondContact O-CB 3.44Å; V107-A111 PolarHBondContact O-N 3.38Å; V108-A111 PolarHBondContact O-N 2.91Å; F109-A111 VanDerWaalsContact C-N 3.28Å; F109-A111 PolarHBondContact O-N 3.07Å; A111-L115 VanDerWaalsContact O-CB 3.25Å; A111-L115 WeakPolarHBondContact O-CB 3.28Å; A111-L115 PolarHBondContact O-N 2.86Å; A111-P136 HydrophobicContact CB-CB 3.74Å; A111-P136 HydrophobicContact CB-CG 3.69Å; A111-V140 HydrophobicContact CB-CG2 3.93Å
112	M	93.2	Very high	90.4	Very high	132 Å²	132	62.3 Å²	62.3	65%	0.65	30%	0.295	S	S	*	.	H	α-helix	trans	-65.8	-42.6	179.5	-69.8	-179.1	67.6	0	0	111.9	V108 F109 L115 W116	V108-M112 HydrophobicContact CG1-SD 4.09Å; V108-M112 WeakPolarHBondContact O-CG 3.44Å; V108-M112 PolarHBondContact O-N 3.02Å; F109-M112 PolarHBondContact O-N 2.99Å; M112-L115 PolarHBondContact O-N 2.84Å; M112-W116 WeakPolarHBondContact O-CB 3.48Å; M112-W116 PolarHBondContact O-N 3.25Å
113	Y	93.3	Very high	90.6	Very high	30 Å²	30	61.1 Å²	61.1	12%	0.118	29%	0.29	C	S	.	.	H	α-helix	trans	-67.4	-44.8	-179.2	-174.8	-101.2	0	0	0	111.8	L88 T89 F109 W116 K117	L88-Y113 HydrophobicContact CB-CE1 4.15Å; L88-Y113 HydrophobicContact CD2-CD1 4.21Å; L88-Y113 HydrophobicContact CD2-CE1 3.79Å; T89-Y113 VanDerWaalsContact N-CE1 3.3Å; T89-Y113 PolarHBondContact N-OH 2.85Å; T89-Y113 PolarHBondContact OG1-OH 2.95Å; F109-Y113 HydrophobicContact CE1-CG 4.4Å; F109-Y113 HydrophobicContact CZ-CD2 4.37Å; F109-Y113 VanDerWaalsContact O-CB 3.24Å; F109-Y113 WeakPolarHBondContact O-CB 3.38Å; F109-Y113 PolarHBondContact O-N 2.89Å; Y113-W116 AromaticContact CD2-CE3 3.87Å; Y113-W116 HydrophobicContact CD2-CE3 3.87Å; Y113-W116 HydrophobicContact CD2-CZ3 4.08Å; Y113-W116 AromaticContact CE2-CE3 3.93Å; Y113-W116 HydrophobicContact CE2-CE3 3.93Å; Y113-W116 AromaticContact CE2-CZ3 3.7Å; Y113-W116 HydrophobicContact CE2-CZ3 3.7Å; Y113-W116 PolarHBondContact O-N 3.06Å; Y113-K117 HydrophobicContact CD1-CG 4.29Å; Y113-K117 HydrophobicContact CE1-CG 3.96Å; Y113-K117 WeakPolarHBondContact O-CB 3.38Å; Y113-K117 WeakPolarHBondContact O-CG 3.31Å; Y113-K117 PolarHBondContact O-N 2.95Å; Y113-K117 WeakPolarHBondContact OH-CE 3.25Å; Y113-K117 PolarHBondContact OH-NZ 3.42Å
114	L	94.9	Very high	91	Very high	1 Å²	1	56 Å²	56	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-62.2	-44.5	174.9	-179.4	61.6	0	0	0	111.1	V38 L88 Q110 W116 K117 L118 V140	V38-L114 HydrophobicContact CG1-CD1 4.01Å; V38-L114 HydrophobicContact CG1-CD2 4.45Å; L88-L114 HydrophobicContact CD1-CD1 4.27Å; Q110-L114 WeakPolarHBondContact O-CB 3.39Å; Q110-L114 PolarHBondContact O-N 3.14Å; L114-W116 PolarHBondContact O-N 2.79Å; L114-K117 PolarHBondContact O-N 2.81Å; L114-L118 HydrophobicContact CD1-CD1 4Å; L114-L118 HydrophobicContact CD1-CG 4.1Å; L114-L118 HydrophobicContact CG-CD1 3.93Å; L114-L118 HydrophobicContact CG-CG 4.43Å; L114-L118 WeakPolarHBondContact O-CB 3.48Å; L114-L118 WeakPolarHBondContact O-CG 3.45Å; L114-L118 PolarHBondContact O-N 3.28Å; L114-V140 HydrophobicContact CB-CG1 4.2Å; L114-V140 HydrophobicContact CD2-CB 4.12Å; L114-V140 HydrophobicContact CD2-CG1 3.98Å; L114-V140 HydrophobicContact CG-CG1 3.88Å
115	L	95	Very high	91.4	Very high	43 Å²	43	56.4 Å²	56.4	23%	0.225	26%	0.264	C	S	.	.	H	α-helix	trans	-57.7	-50.3	175.5	177.3	61.9	0	0	0	110.9	A111 M112 K117 L118 M119 V140 F143 V144	A111-L115 VanDerWaalsContact O-CB 3.25Å; A111-L115 WeakPolarHBondContact O-CB 3.28Å; A111-L115 PolarHBondContact O-N 2.86Å; M112-L115 PolarHBondContact O-N 2.84Å; L115-K117 PolarHBondContact O-N 3.45Å; L115-L118 PolarHBondContact O-N 3.4Å; L115-M119 HydrophobicContact CD1-CG 3.84Å; L115-M119 HydrophobicContact CG-CG 4.31Å; L115-M119 VanDerWaalsContact O-CB 3.28Å; L115-M119 WeakPolarHBondContact O-CB 3.18Å; L115-M119 WeakPolarHBondContact O-CG 3.48Å; L115-M119 PolarHBondContact O-N 2.84Å; L115-V140 HydrophobicContact CB-CG1 3.92Å; L115-V140 HydrophobicContact CD1-CG1 4.46Å; L115-F143 HydrophobicContact CD1-CD1 3.84Å; L115-F143 HydrophobicContact CD1-CE1 4.11Å; L115-F143 HydrophobicContact CD2-CE1 4.46Å; L115-V144 HydrophobicContact CD1-CG2 3.58Å
116	W	93.3	Very high	91.8	Very high	140 Å²	140	54.5 Å²	54.5	53%	0.53	25%	0.252	S	S	.	.	H	α-helix	trans	-58.2	-47.7	178.7	172.1	52.2	0	0	0	111.9	M112 Y113 L114 M119 W120	M112-W116 WeakPolarHBondContact O-CB 3.48Å; M112-W116 PolarHBondContact O-N 3.25Å; Y113-W116 AromaticContact CD2-CE3 3.87Å; Y113-W116 HydrophobicContact CD2-CE3 3.87Å; Y113-W116 HydrophobicContact CD2-CZ3 4.08Å; Y113-W116 AromaticContact CE2-CE3 3.93Å; Y113-W116 HydrophobicContact CE2-CE3 3.93Å; Y113-W116 AromaticContact CE2-CZ3 3.7Å; Y113-W116 HydrophobicContact CE2-CZ3 3.7Å; Y113-W116 PolarHBondContact O-N 3.06Å; L114-W116 PolarHBondContact O-N 2.79Å; W116-M119 PolarHBondContact O-N 2.7Å; W116-W120 PolarHBondContact O-N 3.14Å
117	K	93.8	Very high	92.2	Very high	37 Å²	37	51.1 Å²	51.1	16%	0.161	24%	0.237	C	C	.	.	H	α-helix	trans	-60.1	-50.1	178.2	-74.7	-73.9	-176.6	167.2	0	111.7	L66 L88 Y113 L114 L115 M119 W120 R121	L66-K117 HydrophobicContact CD2-CB 4.2Å; L88-K117 HydrophobicContact CD2-CB 4.29Å; L88-K117 HydrophobicContact CD2-CG 3.99Å; Y113-K117 HydrophobicContact CD1-CG 4.29Å; Y113-K117 HydrophobicContact CE1-CG 3.96Å; Y113-K117 WeakPolarHBondContact O-CB 3.38Å; Y113-K117 WeakPolarHBondContact O-CG 3.31Å; Y113-K117 PolarHBondContact O-N 2.95Å; Y113-K117 WeakPolarHBondContact OH-CE 3.25Å; Y113-K117 PolarHBondContact OH-NZ 3.42Å; L114-K117 PolarHBondContact O-N 2.81Å; L115-K117 PolarHBondContact O-N 3.45Å; K117-M119 VanDerWaalsContact C-N 3.3Å; K117-M119 PolarHBondContact O-N 3.01Å; K117-W120 PolarHBondContact O-N 3.23Å; K117-W120 VanDerWaalsContact O-N 3.17Å; K117-R121 VanDerWaalsContact O-CG 3.23Å; K117-R121 WeakPolarHBondContact O-CG 3.46Å; K117-R121 PolarHBondContact O-N 3.47Å
118	L	93.4	Very high	92.6	Very high	8 Å²	8	49 Å²	49	4%	0.042	22%	0.224	C	C	.	.	H	α-helix	trans	-62	-39	177.5	-71	173.2	0	0	0	111.8	K24 V36 V38 L66 L114 L115 W120 R121 V140 V144	K24-L118 PolarHBondContact NZ-O 3.44Å; V36-L118 HydrophobicContact CG1-CD2 3.83Å; V38-L118 HydrophobicContact CG2-CD2 4.27Å; L66-L118 HydrophobicContact CD1-CD2 3.97Å; L114-L118 HydrophobicContact CD1-CD1 4Å; L114-L118 HydrophobicContact CD1-CG 4.1Å; L114-L118 HydrophobicContact CG-CD1 3.93Å; L114-L118 HydrophobicContact CG-CG 4.43Å; L114-L118 WeakPolarHBondContact O-CB 3.48Å; L114-L118 WeakPolarHBondContact O-CG 3.45Å; L114-L118 PolarHBondContact O-N 3.28Å; L115-L118 PolarHBondContact O-N 3.4Å; L118-W120 VanDerWaalsContact C-N 3.29Å; L118-W120 PolarHBondContact O-N 3.47Å; L118-R121 PolarHBondContact O-N 2.95Å; L118-V140 HydrophobicContact CD1-CG1 4.23Å; L118-V144 HydrophobicContact CB-CG1 4.08Å; L118-V144 HydrophobicContact CB-CG2 3.92Å; L118-V144 HydrophobicContact CD1-CB 4.35Å; L118-V144 HydrophobicContact CD1-CG1 4.49Å; L118-V144 HydrophobicContact CD1-CG2 3.95Å
119	M	91.4	Very high	92.9	Very high	8 Å²	8	44.9 Å²	44.9	4%	0.039	20%	0.199	C	C	.	.	H	α-helix	trans	-70.3	-20.7	177.5	-70.5	-54.4	-63.9	0	0	113.6	L17 L20 K24 L115 W116 K117 V144 L147	L17-M119 HydrophobicContact CD2-CE 4.19Å; L17-M119 HydrophobicContact CD2-CG 4.4Å; L20-M119 HydrophobicContact CB-CE 4.33Å; L20-M119 HydrophobicContact CD2-CB 4.44Å; L20-M119 HydrophobicContact CD2-CE 3.69Å; L20-M119 HydrophobicContact CG-CE 3.94Å; K24-M119 WeakPolarHBondContact CE-O 3.43Å; K24-M119 PolarHBondContact NZ-O 3.47Å; L115-M119 HydrophobicContact CD1-CG 3.84Å; L115-M119 HydrophobicContact CG-CG 4.31Å; L115-M119 VanDerWaalsContact O-CB 3.28Å; L115-M119 WeakPolarHBondContact O-CB 3.18Å; L115-M119 WeakPolarHBondContact O-CG 3.48Å; L115-M119 PolarHBondContact O-N 2.84Å; W116-M119 PolarHBondContact O-N 2.7Å; K117-M119 VanDerWaalsContact C-N 3.3Å; K117-M119 PolarHBondContact O-N 3.01Å; M119-V144 HydrophobicContact SD-CG2 4.31Å; M119-L147 HydrophobicContact CE-CD1 4.25Å; M119-L147 HydrophobicContact SD-CD1 4.11Å
120	W	89.1	Confident	93.2	Very high	189 Å²	189	42.3 Å²	42.3	72%	0.716	19%	0.188	S	C	*	.	H	α-helix	trans	-97.3	-4.7	175.6	-142.9	-95	0	0	0	114.6	W116 K117 L118	W116-W120 PolarHBondContact O-N 3.14Å; K117-W120 PolarHBondContact O-N 3.23Å; K117-W120 VanDerWaalsContact O-N 3.17Å; L118-W120 VanDerWaalsContact C-N 3.29Å; L118-W120 PolarHBondContact O-N 3.47Å
121	R	88.6	Confident	93.3	Very high	84 Å²	84	42 Å²	42	32%	0.317	19%	0.187	S	C	.	.	S	Bend	trans	-96.9	166.3	177.1	-67.4	-64.1	177.9	-139.3	4.7	112.7	K24 K117 L118	K24-R121 WeakPolarHBondContact CE-O 3.4Å; K24-R121 PolarHBondContact NZ-O 3.47Å; K117-R121 VanDerWaalsContact O-CG 3.23Å; K117-R121 WeakPolarHBondContact O-CG 3.46Å; K117-R121 PolarHBondContact O-N 3.47Å; L118-R121 PolarHBondContact O-N 2.95Å
122	E	86.9	Confident	93.3	Very high	93 Å²	93	42.1 Å²	42.1	44%	0.435	19%	0.186	S	C	.	.	P	Polyproline II helix	trans	-64.3	133.2	174.2	-58.6	-158.1	157.7	0	0	109.9	R27 H34 G124	R27-E122 IonicContact CZ-OE1 3.31Å; R27-E122 VanDerWaalsContact CZ-OE1 3.31Å; R27-E122 IonicContact NH1-OE1 3.45Å; R27-E122 PolarHBondContact NH1-OE1 3.04Å; R27-E122 IonicContact NH2-OE1 2.66Å; R27-E122 PolarHBondContact NH2-OE1 3.49Å; H34-E122 PolarHBondContact CE1-O 3.33Å; E122-G124 PolarHBondContact O-N 3.15Å
123	P	86.6	Confident	93.2	Very high	15 Å²	15	38.2 Å²	38.2	10%	0.097	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-64.8	134.5	178.6	28.7	-35.4	0	0	0	109.9	K24 R28 H34 C148	K24-P123 HydrophobicContact CB-CB 4.37Å; K24-P123 HydrophobicContact CB-CG 4.04Å; K24-P123 HydrophobicContact CG-CG 4.37Å; R28-P123 HydrophobicContact CB-CB 4.43Å; R28-P123 HydrophobicContact CB-CG 3.84Å; R28-P123 HydrophobicContact CG-CG 4.39Å; H34-P123 PolarHBondContact ND1-O 2.91Å; P123-C148 HydrophobicContact CB-CB 4.04Å
124	G	90.7	Very high	92.9	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.01	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-85.5	160.1	169.3	0	0	0	0	0	112.1	H34 E122 Y126 S150	H34-G124 CarbonylContact O-C 3.57Å; H34-G124 WeakPolarHBondContact O-CA 3.36Å; E122-G124 PolarHBondContact O-N 3.15Å; G124-Y126 VanDerWaalsContact C-N 3.31Å; G124-S150 VanDerWaalsContact O-CB 3.24Å; G124-S150 WeakPolarHBondContact O-CB 3.29Å; G124-S150 PolarHBondContact O-OG 2.85Å
125	D	93.3	Very high	92.8	Very high	46 Å²	46	39.6 Å²	39.6	25%	0.246	18%	0.18	C	C	.	.	S	Bend	trans	-67.8	-40.5	162.7	-60.8	-51.2	0	0	0	109.8	R33 H34 K151	R33-D125 WeakPolarHBondContact CA-OD2 3.36Å; H34-D125 PolarHBondContact N-OD2 3.13Å; H34-D125 PolarHBondContact O-N 3.37Å; D125-K151 PolarHBondContact O-N 2.68Å
126	Y	95.7	Very high	92.7	Very high	7 Å²	7	38 Å²	38	3%	0.027	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	145.9	177.4	-63.6	-87.1	0	0	0	111.8	V35 V36 G124 F128 K151 V153 L191 V461 T464	V35-Y126 HydrophobicContact CG2-CD2 4.48Å; V36-Y126 PolarHBondContact N-O 3.34Å; G124-Y126 VanDerWaalsContact C-N 3.31Å; Y126-F128 HydrophobicContact CG-CE2 4.35Å; Y126-K151 CarbonylContact C-O 3.53Å; Y126-K151 VanDerWaalsContact CA-O 3.32Å; Y126-K151 WeakPolarHBondContact CA-O 3.48Å; Y126-K151 HydrophobicContact CD1-CB 3.72Å; Y126-K151 HydrophobicContact CD1-CD 4.35Å; Y126-K151 HydrophobicContact CE1-CB 3.83Å; Y126-K151 HydrophobicContact CE1-CD 3.61Å; Y126-K151 HydrophobicContact CE1-CG 4.34Å; Y126-V153 HydrophobicContact CD1-CG2 3.75Å; Y126-L191 HydrophobicContact CE1-CD1 4.11Å; Y126-V461 HydrophobicContact CD1-CG1 4.37Å; Y126-V461 HydrophobicContact CD2-CB 4.35Å; Y126-V461 HydrophobicContact CD2-CG1 4.36Å; Y126-V461 HydrophobicContact CE1-CG1 4.3Å; Y126-V461 HydrophobicContact CE2-CB 4Å; Y126-V461 HydrophobicContact CE2-CG1 4.3Å; Y126-V461 HydrophobicContact CG-CG1 4.41Å; Y126-T464 PolarHBondContact OH-OG1 3.3Å
127	I	97.6	Very high	92.8	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.015	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	108	166.3	-57.6	172	0	0	0	106.8	V36 V38 C141 V144 K151 L152 V153	V36-I127 HydrophobicContact CB-CG1 4.45Å; V36-I127 CarbonylContact O-C 3.52Å; V36-I127 VanDerWaalsContact O-CA 3.26Å; V36-I127 WeakPolarHBondContact O-CA 3.29Å; V38-I127 HydrophobicContact CG2-CG2 3.9Å; I127-C141 HydrophobicContact CG2-CB 3.98Å; I127-V144 HydrophobicContact CD1-CB 4.42Å; I127-V144 HydrophobicContact CD1-CG1 4.02Å; I127-K151 PolarHBondContact N-O 3.46Å; I127-L152 HydrophobicContact CB-CD1 4.31Å; I127-L152 HydrophobicContact CG2-CD1 4.26Å; I127-V153 PolarHBondContact O-N 3.06Å; I127-V153 VanDerWaalsContact O-O 3.14Å
128	F	98.1	Very high	93	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.009	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	117.6	174	-85.5	-114.9	0	0	0	108.8	V35 V36 A37 V38 M49 Y126 V153 L193 V457 V461	V35-F128 HydrophobicContact CG1-CD2 3.52Å; V35-F128 HydrophobicContact CG1-CE2 4.03Å; V35-F128 HydrophobicContact CG1-CG 4.35Å; V36-F128 PolarHBondContact O-N 2.95Å; A37-F128 CarbonylContact C-O 3.27Å; A37-F128 WeakPolarHBondContact CA-O 3.47Å; A37-F128 HydrophobicContact CB-CB 4.48Å; V38-F128 PolarHBondContact N-O 2.96Å; M49-F128 HydrophobicContact CE-CB 4.24Å; Y126-F128 HydrophobicContact CG-CE2 4.35Å; F128-V153 CarbonylContact C-O 3.59Å; F128-V153 WeakPolarHBondContact CA-O 3.37Å; F128-V153 HydrophobicContact CD1-CB 4.34Å; F128-V153 HydrophobicContact CD1-CG1 4.13Å; F128-V153 HydrophobicContact CD2-CB 4.08Å; F128-V153 HydrophobicContact CD2-CG2 4Å; F128-V153 HydrophobicContact CE1-CB 4.44Å; F128-V153 HydrophobicContact CE1-CG1 3.98Å; F128-V153 HydrophobicContact CE2-CB 4.19Å; F128-V153 HydrophobicContact CE2-CG1 4.48Å; F128-V153 HydrophobicContact CE2-CG2 3.77Å; F128-V153 HydrophobicContact CG-CB 4.15Å; F128-V153 HydrophobicContact CG-CG1 4.45Å; F128-V153 HydrophobicContact CZ-CB 4.37Å; F128-V153 HydrophobicContact CZ-CG1 4.16Å; F128-V153 HydrophobicContact CZ-CG2 4.15Å; F128-L193 HydrophobicContact CE1-CD1 3.98Å; F128-V457 HydrophobicContact CE1-CG1 4.19Å; F128-V457 HydrophobicContact CZ-CG1 4.2Å; F128-V461 HydrophobicContact CE2-CG1 3.95Å; F128-V461 HydrophobicContact CZ-CG1 3.74Å
129	L	98.1	Very high	93.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.3	-178.3	173.5	63.2	0	0	0	110.5	V38 S137 I138 C141 L152 V153 D155	V38-L129 HydrophobicContact CB-CD1 4.03Å; V38-L129 HydrophobicContact CG1-CD1 3.91Å; L129-S137 VanDerWaalsContact CD1-CB 3.49Å; L129-I138 VanDerWaalsContact CD2-CA 3.46Å; L129-I138 HydrophobicContact CD2-CB 4.06Å; L129-I138 HydrophobicContact CD2-CG1 3.55Å; L129-C141 HydrophobicContact CD2-CB 4.4Å; L129-L152 HydrophobicContact CB-CD1 4.11Å; L129-V153 PolarHBondContact N-O 2.93Å; L129-D155 PolarHBondContact O-N 3.28Å
130	Q	97.3	Very high	93.5	Very high	21 Å²	21	30.4 Å²	30.4	10%	0.098	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	129.7	169	-173.4	178	-58.3	0	0	110.9	V38 V39 S46 M49 P132	V38-Q130 PolarHBondContact O-N 3.25Å; V39-Q130 HydrophobicContact CG2-CB 4.46Å; S46-Q130 PolarHBondContact OG-OE1 3.47Å; M49-Q130 HydrophobicContact CE-CB 4.31Å; M49-Q130 HydrophobicContact CG-CB 3.82Å; M49-Q130 HydrophobicContact CG-CG 4.06Å; M49-Q130 HydrophobicContact SD-CB 3.92Å; M49-Q130 HydrophobicContact SD-CG 4.48Å; Q130-P132 PolarHBondContact NE2-O 3.38Å
131	N	95.8	Very high	93.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	125.9	164.6	-170.5	65.7	0	0	0	110.6	G134 I154 D155 W156 H157 N158 E182	N131-G134 WeakPolarHBondContact OD1-CA 3.47Å; N131-G134 PolarHBondContact OD1-N 2.77Å; N131-I154 HydrophobicContact CB-CG2 3.98Å; N131-D155 PolarHBondContact N-O 3.07Å; N131-W156 HydrophobicContact CB-CE3 4.18Å; N131-W156 HydrophobicContact CB-CZ3 4.49Å; N131-W156 VanDerWaalsContact ND2-CZ3 3.27Å; N131-W156 WeakPolarHBondContact ND2-CZ3 3.28Å; N131-H157 WeakPolarHBondContact O-CB 3.04Å; N131-H157 PolarHBondContact O-N 3.33Å; N131-N158 PolarHBondContact ND2-O 3.31Å; N131-E182 PolarHBondContact ND2-OE1 3.41Å; N131-E182 PolarHBondContact OD1-OE1 3.05Å
132	P	92.9	Very high	94.3	Very high	25 Å²	25	21.2 Å²	21.2	16%	0.162	11%	0.112	C	C	.	.	S	Bend	cis	-87.5	164.8	2	30.5	-28.5	0	0	0	114.7	Q130 N158 I163	Q130-P132 PolarHBondContact NE2-O 3.38Å; P132-N158 HydrophobicContact CG-CB 4.25Å; P132-I163 HydrophobicContact CB-CD1 4.4Å; P132-I163 HydrophobicContact CG-CD1 3.5Å; P132-I163 VanDerWaalsContact CG-CD1 3.5Å
133	P	91.2	Very high	94.7	Very high	50 Å²	50	20 Å²	20	33%	0.325	11%	0.105	S	C	.	.	S	Bend	cis	-88.7	124.5	-2.6	32.1	-28.8	0	0	0	113.1	L40 S137	L40-P133 HydrophobicContact CB-CG 4.04Å; L40-P133 HydrophobicContact CD2-CG 4.49Å; L40-P133 HydrophobicContact CG-CG 4.43Å; L40-P133 WeakPolarHBondContact O-CD 3.41Å; L40-P133 WeakPolarHBondContact O-CG 3.41Å; P133-S137 PolarHBondContact O-OG 2.94Å
134	G	87	Confident	95.1	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.01	10%	0.102	C	C	.	.			trans	-86	-22.2	176.5	0	0	0	0	0	114.6	N131 P136 S137 I138 Y181	N131-G134 WeakPolarHBondContact OD1-CA 3.47Å; N131-G134 PolarHBondContact OD1-N 2.77Å; G134-P136 CarbonylContact O-C 3.57Å; G134-P136 VanDerWaalsContact O-C 3.29Å; G134-S137 CarbonylContact O-C 3.57Å; G134-S137 WeakPolarHBondContact O-CA 3.39Å; G134-S137 PolarHBondContact O-N 3.14Å; G134-I138 WeakPolarHBondContact O-CG1 3.25Å; G134-I138 PolarHBondContact O-N 2.99Å; G134-Y181 PolarHBondContact O-OH 3.19Å
135	L	92.4	Very high	95.3	Very high	58 Å²	58	19.6 Å²	19.6	30%	0.304	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	124	174.2	179	72.2	0	0	0	109.5	V107 Y181	V107-L135 HydrophobicContact CG1-CD1 4.3Å; V107-L135 HydrophobicContact CG1-CG 4.23Å; V107-L135 HydrophobicContact CG2-CD2 4.28Å; V107-L135 HydrophobicContact CG2-CG 4.43Å; L135-Y181 HydrophobicContact CB-CD1 3.96Å; L135-Y181 HydrophobicContact CB-CE1 3.79Å; L135-Y181 HydrophobicContact CD1-CD1 3.65Å; L135-Y181 HydrophobicContact CD1-CD2 3.57Å; L135-Y181 HydrophobicContact CD1-CE1 3.6Å; L135-Y181 HydrophobicContact CD1-CE2 3.48Å; L135-Y181 VanDerWaalsContact CD1-CE2 3.48Å; L135-Y181 HydrophobicContact CD1-CG 3.67Å; L135-Y181 HydrophobicContact CG-CD1 4.38Å; L135-Y181 HydrophobicContact CG-CE1 4.31Å
136	P	94	Very high	95.3	Very high	10 Å²	10	19.9 Å²	19.9	7%	0.065	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	cis	-89.7	3.8	-4.4	37.1	-37.5	0	0	0	114.9	V107 Q110 A111 G134 I138 A139 V140 Y181	V107-P136 HydrophobicContact CG1-CB 4.01Å; V107-P136 HydrophobicContact CG1-CG 4.3Å; Q110-P136 HydrophobicContact CB-CG 4.21Å; A111-P136 HydrophobicContact CB-CB 3.74Å; A111-P136 HydrophobicContact CB-CG 3.69Å; G134-P136 CarbonylContact O-C 3.57Å; G134-P136 VanDerWaalsContact O-C 3.29Å; P136-I138 PolarHBondContact O-N 3.12Å; P136-A139 PolarHBondContact O-N 2.81Å; P136-V140 HydrophobicContact CB-CG2 4.49Å; P136-V140 WeakPolarHBondContact O-CG2 3.34Å; P136-V140 PolarHBondContact O-N 2.95Å; P136-Y181 WeakPolarHBondContact CA-OH 3.4Å; P136-Y181 PolarHBondContact O-OH 2.92Å
137	S	95.8	Very high	95.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-52.5	-41.9	-168.7	-44	0	0	0	0	115.1	L40 L129 P133 G134 V140 C141	L40-S137 WeakPolarHBondContact CB-OG 3.37Å; L40-S137 WeakPolarHBondContact CD2-OG 3.34Å; L129-S137 VanDerWaalsContact CD1-CB 3.49Å; P133-S137 PolarHBondContact O-OG 2.94Å; G134-S137 CarbonylContact O-C 3.57Å; G134-S137 WeakPolarHBondContact O-CA 3.39Å; G134-S137 PolarHBondContact O-N 3.14Å; S137-V140 PolarHBondContact O-N 2.95Å; S137-C141 VanDerWaalsContact O-CB 3.29Å; S137-C141 WeakPolarHBondContact O-CB 3.45Å; S137-C141 PolarHBondContact O-N 3.46Å; S137-C141 PolarHBondContact O-SG 3.2Å
138	I	97.4	Very high	94.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.6	-50.5	-176.4	-60.9	168.9	0	0	0	109.9	L129 G134 P136 V140 C141 W142 L152 I154 W156 F185	L129-I138 VanDerWaalsContact CD2-CA 3.46Å; L129-I138 HydrophobicContact CD2-CB 4.06Å; L129-I138 HydrophobicContact CD2-CG1 3.55Å; G134-I138 WeakPolarHBondContact O-CG1 3.25Å; G134-I138 PolarHBondContact O-N 2.99Å; P136-I138 PolarHBondContact O-N 3.12Å; I138-V140 VanDerWaalsContact C-N 3.34Å; I138-V140 PolarHBondContact O-N 3.07Å; I138-C141 PolarHBondContact O-N 2.78Å; I138-W142 VanDerWaalsContact O-CB 3.26Å; I138-W142 WeakPolarHBondContact O-CB 3.38Å; I138-W142 PolarHBondContact O-N 3.26Å; I138-L152 HydrophobicContact CG2-CD2 4.37Å; I138-I154 HydrophobicContact CD1-CD1 4.33Å; I138-I154 HydrophobicContact CG1-CD1 4.2Å; I138-I154 HydrophobicContact CG2-CD1 3.66Å; I138-W156 HydrophobicContact CD1-CH2 4.16Å; I138-F185 HydrophobicContact CB-CB 4.22Å; I138-F185 HydrophobicContact CG2-CB 3.66Å
139	A	97.4	Very high	94.5	Very high	20 Å²	20	21.5 Å²	21.5	17%	0.165	12%	0.124	C	C	.	.	H	α-helix	trans	-61.7	-42.4	179.7	0	0	0	0	0	112	P136 F143 Y181 F185	P136-A139 PolarHBondContact O-N 2.81Å; A139-F143 WeakPolarHBondContact O-CB 3.28Å; A139-F143 PolarHBondContact O-N 3.19Å; A139-Y181 HydrophobicContact CB-CE2 3.99Å; A139-Y181 WeakPolarHBondContact CB-OH 3.41Å; A139-Y181 PolarHBondContact N-OH 3.07Å; A139-F185 HydrophobicContact CB-CD1 3.51Å; A139-F185 HydrophobicContact CB-CD2 4.29Å; A139-F185 HydrophobicContact CB-CE1 3.43Å; A139-F185 VanDerWaalsContact CB-CE1 3.43Å; A139-F185 HydrophobicContact CB-CE2 4.22Å; A139-F185 HydrophobicContact CB-CG 3.95Å; A139-F185 HydrophobicContact CB-CZ 3.81Å
140	V	97.1	Very high	94.2	Very high	14 Å²	14	21.6 Å²	21.6	9%	0.085	13%	0.125	C	C	.	.	H	α-helix	trans	-66.9	-47.8	179.8	175.3	0	0	0	0	111.1	A111 L114 L115 L118 P136 S137 I138 W142 F143 V144	A111-V140 HydrophobicContact CB-CG2 3.93Å; L114-V140 HydrophobicContact CB-CG1 4.2Å; L114-V140 HydrophobicContact CD2-CB 4.12Å; L114-V140 HydrophobicContact CD2-CG1 3.98Å; L114-V140 HydrophobicContact CG-CG1 3.88Å; L115-V140 HydrophobicContact CB-CG1 3.92Å; L115-V140 HydrophobicContact CD1-CG1 4.46Å; L118-V140 HydrophobicContact CD1-CG1 4.23Å; P136-V140 HydrophobicContact CB-CG2 4.49Å; P136-V140 WeakPolarHBondContact O-CG2 3.34Å; P136-V140 PolarHBondContact O-N 2.95Å; S137-V140 PolarHBondContact O-N 2.95Å; I138-V140 VanDerWaalsContact C-N 3.34Å; I138-V140 PolarHBondContact O-N 3.07Å; V140-W142 VanDerWaalsContact C-N 3.33Å; V140-W142 PolarHBondContact O-N 2.94Å; V140-F143 PolarHBondContact O-N 2.6Å; V140-V144 WeakPolarHBondContact O-CG2 3.49Å; V140-V144 PolarHBondContact O-N 3.09Å
141	C	97.4	Very high	94.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.5	-38	179.7	-64.9	0	0	0	0	111.5	I127 L129 S137 I138 G145 L152	I127-C141 HydrophobicContact CG2-CB 3.98Å; L129-C141 HydrophobicContact CD2-CB 4.4Å; S137-C141 VanDerWaalsContact O-CB 3.29Å; S137-C141 WeakPolarHBondContact O-CB 3.45Å; S137-C141 PolarHBondContact O-N 3.46Å; S137-C141 PolarHBondContact O-SG 3.2Å; I138-C141 PolarHBondContact O-N 2.78Å; C141-G145 PolarHBondContact O-N 2.92Å; C141-L152 HydrophobicContact CB-CD1 3.64Å
142	W	97.6	Very high	94.3	Very high	79 Å²	79	23.7 Å²	23.7	30%	0.299	13%	0.134	S	C	.	.	H	α-helix	trans	-61.3	-48.3	172.4	171.5	76.3	0	0	0	111.4	I138 V140 V144 G145 C146 L152 L188	I138-W142 VanDerWaalsContact O-CB 3.26Å; I138-W142 WeakPolarHBondContact O-CB 3.38Å; I138-W142 PolarHBondContact O-N 3.26Å; V140-W142 VanDerWaalsContact C-N 3.33Å; V140-W142 PolarHBondContact O-N 2.94Å; W142-V144 PolarHBondContact O-N 3.44Å; W142-G145 CarbonylContact O-C 3.29Å; W142-G145 WeakPolarHBondContact O-CA 3.3Å; W142-G145 PolarHBondContact O-N 3.23Å; W142-G145 VanDerWaalsContact O-N 3.13Å; W142-C146 PolarHBondContact O-N 2.9Å; W142-C146 PolarHBondContact O-SG 3.48Å; W142-L152 HydrophobicContact CB-CD2 3.87Å; W142-L188 VanDerWaalsContact CD1-CB 3.49Å; W142-L188 VanDerWaalsContact CD1-O 3.23Å; W142-L188 HydrophobicContact CD2-CB 4.33Å; W142-L188 HydrophobicContact CD2-CD1 3.95Å; W142-L188 HydrophobicContact CE3-CD1 4.32Å; W142-L188 HydrophobicContact CG-CB 3.98Å; W142-L188 HydrophobicContact CG-CD1 4.35Å; W142-L188 HydrophobicContact CH2-CD1 4.5Å; W142-L188 HydrophobicContact CZ2-CD1 4.15Å
143	F	96.3	Very high	94.5	Very high	67 Å²	67	22.6 Å²	22.6	29%	0.294	13%	0.127	S	C	.	.	H	α-helix	trans	-61.5	-44	179.4	178.9	-108.6	0	0	0	112	L115 A139 V140 G145 C146 L147	L115-F143 HydrophobicContact CD1-CD1 3.84Å; L115-F143 HydrophobicContact CD1-CE1 4.11Å; L115-F143 HydrophobicContact CD2-CE1 4.46Å; A139-F143 WeakPolarHBondContact O-CB 3.28Å; A139-F143 PolarHBondContact O-N 3.19Å; V140-F143 PolarHBondContact O-N 2.6Å; F143-G145 VanDerWaalsContact C-N 3.33Å; F143-G145 PolarHBondContact O-N 3.25Å; F143-C146 WeakPolarHBondContact O-CB 3.29Å; F143-C146 PolarHBondContact O-N 3.2Å; F143-L147 HydrophobicContact CD1-CD1 4Å; F143-L147 HydrophobicContact CE1-CD1 3.41Å; F143-L147 VanDerWaalsContact CE1-CD1 3.41Å; F143-L147 HydrophobicContact CE1-CG 4.19Å; F143-L147 HydrophobicContact CE2-CD1 4.42Å; F143-L147 HydrophobicContact CE2-CG 4.41Å; F143-L147 HydrophobicContact CZ-CD1 3.66Å; F143-L147 HydrophobicContact CZ-CD2 4.37Å; F143-L147 HydrophobicContact CZ-CG 4.11Å; F143-L147 WeakPolarHBondContact O-CG 3.38Å; F143-L147 PolarHBondContact O-N 3.27Å
144	V	94.6	Very high	94.9	Very high	6 Å²	6	20.2 Å²	20.2	4%	0.036	11%	0.111	C	C	.	.	H	α-helix	trans	-62.4	-41.2	173.5	171.1	0	0	0	0	111.1	L115 L118 M119 I127 V140 W142 C146 L147 C148	L115-V144 HydrophobicContact CD1-CG2 3.58Å; L118-V144 HydrophobicContact CB-CG1 4.08Å; L118-V144 HydrophobicContact CB-CG2 3.92Å; L118-V144 HydrophobicContact CD1-CB 4.35Å; L118-V144 HydrophobicContact CD1-CG1 4.49Å; L118-V144 HydrophobicContact CD1-CG2 3.95Å; M119-V144 HydrophobicContact SD-CG2 4.31Å; I127-V144 HydrophobicContact CD1-CB 4.42Å; I127-V144 HydrophobicContact CD1-CG1 4.02Å; V140-V144 WeakPolarHBondContact O-CG2 3.49Å; V140-V144 PolarHBondContact O-N 3.09Å; W142-V144 PolarHBondContact O-N 3.44Å; V144-C146 VanDerWaalsContact C-N 3.34Å; V144-C146 PolarHBondContact O-N 3.02Å; V144-L147 PolarHBondContact O-N 2.75Å; V144-L147 VanDerWaalsContact O-N 3.16Å; V144-C148 WeakPolarHBondContact O-CB 3.36Å; V144-C148 PolarHBondContact O-N 3.43Å
145	G	94.3	Very high	95.4	Very high	2 Å²	2	20.2 Å²	20.2	2%	0.021	11%	0.111	C	C	.	.	H	α-helix	trans	-57.6	-47	174	0	0	0	0	0	111.8	C141 W142 F143 L147 G149 S150	C141-G145 PolarHBondContact O-N 2.92Å; W142-G145 CarbonylContact O-C 3.29Å; W142-G145 WeakPolarHBondContact O-CA 3.3Å; W142-G145 PolarHBondContact O-N 3.23Å; W142-G145 VanDerWaalsContact O-N 3.13Å; F143-G145 VanDerWaalsContact C-N 3.33Å; F143-G145 PolarHBondContact O-N 3.25Å; G145-L147 PolarHBondContact O-N 2.86Å; G145-G149 CarbonylContact O-C 3.56Å; G145-G149 WeakPolarHBondContact O-CA 3.41Å; G145-G149 PolarHBondContact O-N 2.95Å; G145-S150 CarbonylContact C-O 3.56Å; G145-S150 VanDerWaalsContact CA-O 3.24Å; G145-S150 WeakPolarHBondContact CA-O 3.36Å; G145-S150 PolarHBondContact O-N 3.47Å
146	C	93.9	Very high	95.6	Very high	53 Å²	53	17.5 Å²	17.5	36%	0.358	10%	0.096	S	C	.	.	H	α-helix	trans	-58.6	-43	172.8	-72.8	0	0	0	0	112	R25 W142 F143 V144	R25-C146 PolarHBondContact NH2-O 3.49Å; W142-C146 PolarHBondContact O-N 2.9Å; W142-C146 PolarHBondContact O-SG 3.48Å; F143-C146 WeakPolarHBondContact O-CB 3.29Å; F143-C146 PolarHBondContact O-N 3.2Å; V144-C146 VanDerWaalsContact C-N 3.34Å; V144-C146 PolarHBondContact O-N 3.02Å
147	L	92	Very high	95.7	Very high	15 Å²	15	18.3 Å²	18.3	8%	0.079	10%	0.099	C	C	.	.	H	α-helix	trans	-71.9	-45.7	179.7	-70.3	-179.9	0	0	0	113.3	L17 L18 R25 M119 F143 V144 G145	L17-L147 HydrophobicContact CB-CD1 4.42Å; L18-L147 HydrophobicContact CD2-CD2 3.82Å; R25-L147 PolarHBondContact NE-O 3.01Å; M119-L147 HydrophobicContact CE-CD1 4.25Å; M119-L147 HydrophobicContact SD-CD1 4.11Å; F143-L147 HydrophobicContact CD1-CD1 4Å; F143-L147 HydrophobicContact CE1-CD1 3.41Å; F143-L147 VanDerWaalsContact CE1-CD1 3.41Å; F143-L147 HydrophobicContact CE1-CG 4.19Å; F143-L147 HydrophobicContact CE2-CD1 4.42Å; F143-L147 HydrophobicContact CE2-CG 4.41Å; F143-L147 HydrophobicContact CZ-CD1 3.66Å; F143-L147 HydrophobicContact CZ-CD2 4.37Å; F143-L147 HydrophobicContact CZ-CG 4.11Å; F143-L147 WeakPolarHBondContact O-CG 3.38Å; F143-L147 PolarHBondContact O-N 3.27Å; V144-L147 PolarHBondContact O-N 2.75Å; V144-L147 VanDerWaalsContact O-N 3.16Å; G145-L147 PolarHBondContact O-N 2.86Å
148	C	91.2	Very high	95.6	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.007	10%	0.102	C	C	.	.	H	α-helix	trans	-91.7	-6.7	-172.6	-59.5	0	0	0	0	113.3	R25 P123 V144 S150	R25-C148 VanDerWaalsContact CG-C 3.44Å; R25-C148 WeakPolarHBondContact CG-O 3.22Å; P123-C148 HydrophobicContact CB-CB 4.04Å; V144-C148 WeakPolarHBondContact O-CB 3.36Å; V144-C148 PolarHBondContact O-N 3.43Å; C148-S150 VanDerWaalsContact C-N 3.3Å
149	G	90.4	Very high	95.5	Very high	29 Å²	29	18.8 Å²	18.8	30%	0.299	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	10.7	-175.3	0	0	0	0	0	114.3	R28 G145	R28-G149 PolarHBondContact NH1-O 3.02Å; R28-G149 PolarHBondContact NH2-O 3.41Å; G145-G149 CarbonylContact O-C 3.56Å; G145-G149 WeakPolarHBondContact O-CA 3.41Å; G145-G149 PolarHBondContact O-N 2.95Å
150	S	93.1	Very high	95.3	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.014	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-75.8	146.5	-177.7	-48.5	0	0	0	0	111.5	G124 G145 C148	G124-S150 VanDerWaalsContact O-CB 3.24Å; G124-S150 WeakPolarHBondContact O-CB 3.29Å; G124-S150 PolarHBondContact O-OG 2.85Å; G145-S150 CarbonylContact C-O 3.56Å; G145-S150 VanDerWaalsContact CA-O 3.24Å; G145-S150 WeakPolarHBondContact CA-O 3.36Å; G145-S150 PolarHBondContact O-N 3.47Å; C148-S150 VanDerWaalsContact C-N 3.3Å
151	K	95.5	Very high	95.2	Very high	66 Å²	66	19.9 Å²	19.9	29%	0.287	11%	0.106	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	125.9	175.4	-65.1	176.4	-175	171.2	0	109.9	D125 Y126 I127 H190 T464	D125-K151 PolarHBondContact O-N 2.68Å; Y126-K151 CarbonylContact C-O 3.53Å; Y126-K151 VanDerWaalsContact CA-O 3.32Å; Y126-K151 WeakPolarHBondContact CA-O 3.48Å; Y126-K151 HydrophobicContact CD1-CB 3.72Å; Y126-K151 HydrophobicContact CD1-CD 4.35Å; Y126-K151 HydrophobicContact CE1-CB 3.83Å; Y126-K151 HydrophobicContact CE1-CD 3.61Å; Y126-K151 HydrophobicContact CE1-CG 4.34Å; I127-K151 PolarHBondContact N-O 3.46Å; K151-H190 HydrophobicContact CB-CB 4.06Å; K151-H190 HydrophobicContact CG-CB 4.49Å; K151-T464 PolarHBondContact NZ-OG1 3.07Å
152	L	97.9	Very high	95	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	123.3	175.7	177.6	61.5	0	0	0	110.3	I127 L129 I138 C141 W142 I154 H190 L191	I127-L152 HydrophobicContact CB-CD1 4.31Å; I127-L152 HydrophobicContact CG2-CD1 4.26Å; L129-L152 HydrophobicContact CB-CD1 4.11Å; I138-L152 HydrophobicContact CG2-CD2 4.37Å; C141-L152 HydrophobicContact CB-CD1 3.64Å; W142-L152 HydrophobicContact CB-CD2 3.87Å; L152-I154 HydrophobicContact CD1-CG1 4.44Å; L152-I154 HydrophobicContact CD2-CD1 4.31Å; L152-I154 HydrophobicContact CD2-CG1 4.18Å; L152-I154 HydrophobicContact CG-CG1 4.07Å; L152-H190 PolarHBondContact N-ND1 3.45Å; L152-H190 VanDerWaalsContact N-ND1 3.13Å; L152-H190 WeakPolarHBondContact O-CB 3.34Å; L152-H190 PolarHBondContact O-N 3.04Å; L152-L191 PolarHBondContact O-N 3.37Å; L152-L191 VanDerWaalsContact O-N 3.16Å
153	V	98.2	Very high	94.7	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.012	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	120.3	169.4	-171.2	0	0	0	0	107.7	Y126 I127 F128 L129 L191 L193	Y126-V153 HydrophobicContact CD1-CG2 3.75Å; I127-V153 PolarHBondContact O-N 3.06Å; I127-V153 VanDerWaalsContact O-O 3.14Å; F128-V153 CarbonylContact C-O 3.59Å; F128-V153 WeakPolarHBondContact CA-O 3.37Å; F128-V153 HydrophobicContact CD1-CB 4.34Å; F128-V153 HydrophobicContact CD1-CG1 4.13Å; F128-V153 HydrophobicContact CD2-CB 4.08Å; F128-V153 HydrophobicContact CD2-CG2 4Å; F128-V153 HydrophobicContact CE1-CB 4.44Å; F128-V153 HydrophobicContact CE1-CG1 3.98Å; F128-V153 HydrophobicContact CE2-CB 4.19Å; F128-V153 HydrophobicContact CE2-CG1 4.48Å; F128-V153 HydrophobicContact CE2-CG2 3.77Å; F128-V153 HydrophobicContact CG-CB 4.15Å; F128-V153 HydrophobicContact CG-CG1 4.45Å; F128-V153 HydrophobicContact CZ-CB 4.37Å; F128-V153 HydrophobicContact CZ-CG1 4.16Å; F128-V153 HydrophobicContact CZ-CG2 4.15Å; L129-V153 PolarHBondContact N-O 2.93Å; V153-L191 VanDerWaalsContact CA-O 3.31Å; V153-L191 WeakPolarHBondContact CA-O 3.32Å; V153-L191 HydrophobicContact CB-CB 4.43Å; V153-L191 HydrophobicContact CG1-CB 4.1Å; V153-L191 HydrophobicContact CG2-CB 4.11Å; V153-L191 HydrophobicContact CG2-CD1 4.17Å; V153-L193 HydrophobicContact CG1-CD1 4.09Å; V153-L193 HydrophobicContact CG1-CG 4Å
154	I	98.4	Very high	94.3	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	126	172.8	-55.4	174.8	0	0	0	108.3	N131 I138 L152 W156 L191 N192 L193	N131-I154 HydrophobicContact CB-CG2 3.98Å; I138-I154 HydrophobicContact CD1-CD1 4.33Å; I138-I154 HydrophobicContact CG1-CD1 4.2Å; I138-I154 HydrophobicContact CG2-CD1 3.66Å; L152-I154 HydrophobicContact CD1-CG1 4.44Å; L152-I154 HydrophobicContact CD2-CD1 4.31Å; L152-I154 HydrophobicContact CD2-CG1 4.18Å; L152-I154 HydrophobicContact CG-CG1 4.07Å; I154-W156 HydrophobicContact CB-CZ2 4.37Å; I154-W156 HydrophobicContact CD1-CZ2 3.88Å; I154-W156 HydrophobicContact CG2-CD2 3.89Å; I154-W156 VanDerWaalsContact CG2-CE2 3.47Å; I154-W156 HydrophobicContact CG2-CG 4.12Å; I154-W156 HydrophobicContact CG2-CH2 4.5Å; I154-W156 HydrophobicContact CG2-CZ2 3.83Å; I154-L191 PolarHBondContact N-O 2.82Å; I154-N192 CarbonylContact O-C 3.57Å; I154-N192 VanDerWaalsContact O-CA 3.3Å; I154-N192 WeakPolarHBondContact O-CA 3.49Å; I154-L193 PolarHBondContact O-N 2.8Å
155	D	97.9	Very high	94.1	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	105.7	172.5	-173.1	25.4	0	0	0	109.2	R48 H52 L129 N131 H157 L193	R48-D155 IonicContact CZ-OD1 3.41Å; R48-D155 IonicContact CZ-OD2 3.72Å; R48-D155 IonicContact NE-OD1 3.53Å; R48-D155 PolarHBondContact NE-OD1 3.43Å; R48-D155 IonicContact NE-OD2 3.38Å; R48-D155 PolarHBondContact NE-OD2 3Å; R48-D155 IonicContact NH2-OD1 2.84Å; R48-D155 PolarHBondContact NH2-OD1 3.09Å; R48-D155 IonicContact NH2-OD2 3.24Å; H52-D155 IonicContact CD2-OD2 2.96Å; H52-D155 IonicContact NE2-OD2 3.24Å; H52-D155 PolarHBondContact NE2-OD2 2.96Å; H52-D155 VanDerWaalsContact NE2-OD2 3.15Å; L129-D155 PolarHBondContact O-N 3.28Å; N131-D155 PolarHBondContact N-O 3.07Å; D155-H157 VanDerWaalsContact CG-NE2 3.26Å; D155-H157 PolarHBondContact O-CD2 3.46Å; D155-H157 IonicContact OD1-CD2 3.93Å; D155-H157 IonicContact OD1-NE2 2.75Å; D155-H157 IonicContact OD2-CD2 2.69Å; D155-H157 IonicContact OD2-CE1 2.99Å; D155-H157 IonicContact OD2-NE2 3.9Å; D155-H157 PolarHBondContact OD2-NE2 2.91Å; D155-L193 HydrophobicContact CB-CB 4.32Å; D155-L193 WeakPolarHBondContact OD1-CB 3.48Å
156	W	97.7	Very high	93.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	108.9	-174.5	-59.7	88.2	0	0	0	110.1	N131 I138 I154 Y159 N192 L193 C194 V195 M199 L203 W207 I209	N131-W156 HydrophobicContact CB-CE3 4.18Å; N131-W156 HydrophobicContact CB-CZ3 4.49Å; N131-W156 VanDerWaalsContact ND2-CZ3 3.27Å; N131-W156 WeakPolarHBondContact ND2-CZ3 3.28Å; I138-W156 HydrophobicContact CD1-CH2 4.16Å; I154-W156 HydrophobicContact CB-CZ2 4.37Å; I154-W156 HydrophobicContact CD1-CZ2 3.88Å; I154-W156 HydrophobicContact CG2-CD2 3.89Å; I154-W156 VanDerWaalsContact CG2-CE2 3.47Å; I154-W156 HydrophobicContact CG2-CG 4.12Å; I154-W156 HydrophobicContact CG2-CH2 4.5Å; I154-W156 HydrophobicContact CG2-CZ2 3.83Å; W156-Y159 HydrophobicContact CE3-CD1 4.13Å; W156-Y159 HydrophobicContact CE3-CE1 4.1Å; W156-Y159 HydrophobicContact CZ3-CD1 4.31Å; W156-Y159 HydrophobicContact CZ3-CE1 4.42Å; W156-N192 PolarHBondContact NE1-OD1 3.43Å; W156-L193 VanDerWaalsContact CD1-O 3.23Å; W156-L193 PolarHBondContact N-O 3.27Å; W156-C194 HydrophobicContact CB-CB 4.13Å; W156-C194 WeakPolarHBondContact O-CA 3.5Å; W156-V195 PolarHBondContact O-N 2.8Å; W156-M199 HydrophobicContact CB-SD 3.6Å; W156-M199 VanDerWaalsContact O-SD 3.32Å; W156-L203 HydrophobicContact CB-CD1 4.23Å; W156-L203 HydrophobicContact CD2-CD1 4.35Å; W156-L203 HydrophobicContact CD2-CD2 4.14Å; W156-L203 HydrophobicContact CE3-CD2 4.39Å; W156-L203 HydrophobicContact CG-CD1 3.89Å; W156-W207 HydrophobicContact CE3-CZ3 4.44Å; W156-W207 HydrophobicContact CH2-CE3 4.1Å; W156-W207 AromaticContact CH2-CZ3 3.56Å; W156-W207 HydrophobicContact CH2-CZ3 3.56Å; W156-W207 HydrophobicContact CZ3-CE3 4.3Å; W156-W207 HydrophobicContact CZ3-CH2 4.2Å; W156-W207 AromaticContact CZ3-CZ3 3.48Å; W156-W207 HydrophobicContact CZ3-CZ3 3.48Å; W156-W207 VanDerWaalsContact CZ3-CZ3 3.48Å; W156-I209 HydrophobicContact CZ2-CD1 4.01Å
157	H	94.8	Very high	93.3	Very high	27 Å²	27	27 Å²	27	13%	0.125	15%	0.154	C	C	.	.	S	Bend	trans	-97.9	-39.5	176.6	-54.9	-177.4	0	0	0	110.3	R48 N131 D155 V195 M199 D374	R48-H157 VanDerWaalsContact CD-CE1 3.44Å; R48-H157 WeakPolarHBondContact CD-CE1 3.38Å; R48-H157 WeakPolarHBondContact CD-NE2 3.2Å; R48-H157 PolarHBondContact NE-NE2 3.06Å; N131-H157 WeakPolarHBondContact O-CB 3.04Å; N131-H157 PolarHBondContact O-N 3.33Å; D155-H157 VanDerWaalsContact CG-NE2 3.26Å; D155-H157 PolarHBondContact O-CD2 3.46Å; D155-H157 IonicContact OD1-CD2 3.93Å; D155-H157 IonicContact OD1-NE2 2.75Å; D155-H157 IonicContact OD2-CD2 2.69Å; D155-H157 IonicContact OD2-CE1 2.99Å; D155-H157 IonicContact OD2-NE2 3.9Å; D155-H157 PolarHBondContact OD2-NE2 2.91Å; H157-V195 HydrophobicContact CB-CG1 4.29Å; H157-V195 WeakPolarHBondContact O-CG2 3.34Å; H157-M199 WeakPolarHBondContact O-CE 3.23Å; H157-D374 VanDerWaalsContact O-CB 3.26Å; H157-D374 WeakPolarHBondContact O-CB 3.36Å
158	N	94.8	Very high	93.1	Very high	9 Å²	9	28.8 Å²	28.8	5%	0.048	16%	0.162	C	C	.	.	S	Bend	trans	-154.7	-179.7	174.2	-144.3	-45.9	0	0	0	109.1	N131 P132 S162 I163 S369 S370 S371 D374	N131-N158 PolarHBondContact ND2-O 3.31Å; P132-N158 HydrophobicContact CG-CB 4.25Å; N158-S162 PolarHBondContact OD1-OG 2.87Å; N158-I163 HydrophobicContact CB-CD1 4.32Å; N158-S369 PolarHBondContact ND2-OG 3.01Å; N158-S370 PolarHBondContact OD1-OG 3.1Å; N158-S371 VanDerWaalsContact OD1-CB 3.29Å; N158-S371 WeakPolarHBondContact OD1-CB 3.37Å; N158-S371 PolarHBondContact OD1-OG 2.78Å; N158-D374 WeakPolarHBondContact ND2-CB 2.99Å; N158-D374 PolarHBondContact ND2-OD2 2.94Å
159	Y	95.6	Very high	93	Very high	2 Å²	2	30 Å²	30	1%	0.008	17%	0.174	C	C	.	.			trans	-95.4	127.7	170.7	-63	-43.4	0	0	0	111.2	W156 Y161 S162 I163 D202 L203 W207 L373	W156-Y159 HydrophobicContact CE3-CD1 4.13Å; W156-Y159 HydrophobicContact CE3-CE1 4.1Å; W156-Y159 HydrophobicContact CZ3-CD1 4.31Å; W156-Y159 HydrophobicContact CZ3-CE1 4.42Å; Y159-Y161 HydrophobicContact CD1-CE1 4.33Å; Y159-Y161 AromaticContact CD2-CE1 3.61Å; Y159-Y161 HydrophobicContact CD2-CE1 3.61Å; Y159-Y161 AromaticContact CD2-CZ 3.95Å; Y159-Y161 HydrophobicContact CE2-CE1 4.47Å; Y159-Y161 HydrophobicContact CG-CD1 4.19Å; Y159-Y161 AromaticContact CG-CE1 3.52Å; Y159-Y161 HydrophobicContact CG-CE1 3.52Å; Y159-Y161 PolarHBondContact O-N 3.16Å; Y159-S162 PolarHBondContact O-N 3Å; Y159-S162 PolarHBondContact O-OG 3.43Å; Y159-I163 PolarHBondContact O-N 3.25Å; Y159-D202 WeakPolarHBondContact CE2-OD1 3.19Å; Y159-D202 PolarHBondContact OH-OD1 3.4Å; Y159-L203 HydrophobicContact CE1-CD2 3.89Å; Y159-W207 AromaticContact CD1-CH2 3.63Å; Y159-W207 HydrophobicContact CD1-CH2 3.63Å; Y159-W207 AromaticContact CD1-CZ2 3.93Å; Y159-W207 HydrophobicContact CD1-CZ2 3.93Å; Y159-W207 HydrophobicContact CD1-CZ3 4.22Å; Y159-W207 HydrophobicContact CE1-CE3 4.47Å; Y159-W207 AromaticContact CE1-CH2 3.78Å; Y159-W207 HydrophobicContact CE1-CH2 3.78Å; Y159-W207 AromaticContact CE1-CZ2 3.88Å; Y159-W207 HydrophobicContact CE1-CZ2 3.88Å; Y159-W207 HydrophobicContact CE1-CZ3 4.08Å; Y159-W207 HydrophobicContact CE2-CZ2 4.45Å; Y159-W207 HydrophobicContact CG-CH2 4.27Å; Y159-W207 HydrophobicContact CG-CZ2 4.28Å; Y159-L373 HydrophobicContact CD2-CD1 4.44Å; Y159-L373 HydrophobicContact CE2-CD1 3.63Å
160	G	93.6	Very high	93.1	Very high	18 Å²	18	33.3 Å²	33.3	19%	0.186	19%	0.191	C	C	.	.	H	α-helix	trans	-60.3	-37.3	178.2	0	0	0	0	0	112.2	M164 E182	G160-M164 WeakPolarHBondContact O-CB 3.5Å; G160-M164 PolarHBondContact O-N 2.92Å; G160-E182 WeakPolarHBondContact CA-OE2 3.48Å; G160-E182 PolarHBondContact N-OE1 3.22Å; G160-E182 PolarHBondContact N-OE2 3.37Å
161	Y	94.1	Very high	93.1	Very high	39 Å²	39	38.2 Å²	38.2	15%	0.153	23%	0.225	C	C	.	.	H	α-helix	trans	-66.8	-34.2	177.4	83.7	-91.9	0	0	0	113	Y159 M164 G165 V175 K179 E182 W207	Y159-Y161 HydrophobicContact CD1-CE1 4.33Å; Y159-Y161 AromaticContact CD2-CE1 3.61Å; Y159-Y161 HydrophobicContact CD2-CE1 3.61Å; Y159-Y161 AromaticContact CD2-CZ 3.95Å; Y159-Y161 HydrophobicContact CE2-CE1 4.47Å; Y159-Y161 HydrophobicContact CG-CD1 4.19Å; Y159-Y161 AromaticContact CG-CE1 3.52Å; Y159-Y161 HydrophobicContact CG-CE1 3.52Å; Y159-Y161 PolarHBondContact O-N 3.16Å; Y161-M164 PolarHBondContact O-N 3.33Å; Y161-G165 PolarHBondContact O-N 3.44Å; Y161-V175 HydrophobicContact CD2-CG1 4.14Å; Y161-V175 WeakPolarHBondContact O-CG1 3.4Å; Y161-K179 HydrophobicContact CD1-CB 3.91Å; Y161-K179 HydrophobicContact CD1-CG 3.86Å; Y161-K179 HydrophobicContact CD2-CB 3.87Å; Y161-K179 HydrophobicContact CD2-CD 3.98Å; Y161-K179 HydrophobicContact CD2-CG 4.03Å; Y161-K179 HydrophobicContact CE1-CB 4.5Å; Y161-K179 HydrophobicContact CE1-CD 4.35Å; Y161-K179 HydrophobicContact CE1-CG 3.96Å; Y161-K179 HydrophobicContact CE2-CB 4.47Å; Y161-K179 HydrophobicContact CE2-CD 3.77Å; Y161-K179 HydrophobicContact CE2-CG 4.13Å; Y161-K179 HydrophobicContact CG-CB 3.57Å; Y161-K179 HydrophobicContact CG-CD 4.38Å; Y161-K179 HydrophobicContact CG-CG 3.91Å; Y161-E182 WeakPolarHBondContact CD1-OE2 3.44Å; Y161-E182 PolarHBondContact N-OE2 3.28Å; Y161-W207 HydrophobicContact CD1-CH2 4.28Å; Y161-W207 HydrophobicContact CD1-CZ2 4.15Å; Y161-W207 HydrophobicContact CE1-CH2 4.09Å; Y161-W207 AromaticContact CE1-CZ2 3.59Å; Y161-W207 HydrophobicContact CE1-CZ2 3.59Å
162	S	93.5	Very high	93	Very high	14 Å²	14	38.1 Å²	38.1	10%	0.098	23%	0.225	C	C	.	.	H	α-helix	trans	-70.9	-40.7	179.6	62.2	0	0	0	0	110.8	N158 Y159 M164 G165 L166 S370	N158-S162 PolarHBondContact OD1-OG 2.87Å; Y159-S162 PolarHBondContact O-N 3Å; Y159-S162 PolarHBondContact O-OG 3.43Å; S162-M164 PolarHBondContact O-N 3.18Å; S162-G165 WeakPolarHBondContact O-CA 3.25Å; S162-G165 PolarHBondContact O-N 2.83Å; S162-L166 PolarHBondContact O-N 3.32Å; S162-S370 PolarHBondContact OG-OG 3.04Å
163	I	90.1	Very high	92.8	Very high	75 Å²	75	42.7 Å²	42.7	39%	0.385	26%	0.255	S	S	.	.	H	α-helix	trans	-61	-45.3	172.8	-61	179.7	0	0	0	110.6	P132 N158 Y159 G165 L166	P132-I163 HydrophobicContact CB-CD1 4.4Å; P132-I163 HydrophobicContact CG-CD1 3.5Å; P132-I163 VanDerWaalsContact CG-CD1 3.5Å; N158-I163 HydrophobicContact CB-CD1 4.32Å; Y159-I163 PolarHBondContact O-N 3.25Å; I163-G165 PolarHBondContact O-N 3Å; I163-L166 WeakPolarHBondContact O-CB 3.31Å; I163-L166 PolarHBondContact O-N 3.39Å; I163-L166 VanDerWaalsContact O-N 3.15Å
164	M	89.6	Confident	92.4	Very high	60 Å²	60	44.7 Å²	44.7	30%	0.296	27%	0.265	S	S	.	.	H	α-helix	trans	-61.4	-31.6	174.8	-170.8	-177.2	-64.8	0	0	112.1	G160 Y161 S162 L166 V167 H168 L174 V175 A178	G160-M164 WeakPolarHBondContact O-CB 3.5Å; G160-M164 PolarHBondContact O-N 2.92Å; Y161-M164 PolarHBondContact O-N 3.33Å; S162-M164 PolarHBondContact O-N 3.18Å; M164-L166 VanDerWaalsContact C-N 3.3Å; M164-L166 PolarHBondContact O-N 2.82Å; M164-V167 PolarHBondContact O-N 2.71Å; M164-H168 PolarHBondContact O-N 2.99Å; M164-H168 VanDerWaalsContact O-N 3.08Å; M164-L174 HydrophobicContact SD-CB 4.23Å; M164-V175 HydrophobicContact CB-CG2 4.15Å; M164-V175 HydrophobicContact CG-CG2 3.78Å; M164-V175 HydrophobicContact SD-CG2 4.07Å; M164-A178 HydrophobicContact CE-CB 4.18Å; M164-A178 HydrophobicContact SD-CB 4.27Å
165	G	90.3	Very high	92.2	Very high	11 Å²	11	44.8 Å²	44.8	11%	0.113	27%	0.266	C	S	.	.	H	α-helix	trans	-64.9	-27.4	175.9	0	0	0	0	0	114.2	Y161 S162 I163 V167 G169	Y161-G165 PolarHBondContact O-N 3.44Å; S162-G165 WeakPolarHBondContact O-CA 3.25Å; S162-G165 PolarHBondContact O-N 2.83Å; I163-G165 PolarHBondContact O-N 3Å; G165-V167 VanDerWaalsContact C-N 3.32Å; G165-V167 PolarHBondContact O-N 2.77Å; G165-G169 CarbonylContact O-C 3.41Å; G165-G169 WeakPolarHBondContact O-CA 3.42Å; G165-G169 PolarHBondContact O-N 2.85Å
166	L	86.7	Confident	92.1	Very high	87 Å²	87	49.3 Å²	49.3	46%	0.455	29%	0.29	S	S	.	.	H	α-helix	trans	-62.3	-41.7	174.3	-61.6	178.2	0	0	0	111.2	S162 I163 M164	S162-L166 PolarHBondContact O-N 3.32Å; I163-L166 WeakPolarHBondContact O-CB 3.31Å; I163-L166 PolarHBondContact O-N 3.39Å; I163-L166 VanDerWaalsContact O-N 3.15Å; M164-L166 VanDerWaalsContact C-N 3.3Å; M164-L166 PolarHBondContact O-N 2.82Å
167	V	84.6	Confident	92	Very high	109 Å²	109	54.1 Å²	54.1	66%	0.661	32%	0.315	S	S	*	.	H	α-helix	trans	-83.4	-40.9	-176.6	-178.2	0	0	0	0	112.6	M164 G165	M164-V167 PolarHBondContact O-N 2.71Å; G165-V167 VanDerWaalsContact C-N 3.32Å; G165-V167 PolarHBondContact O-N 2.77Å
168	H	86.5	Confident	91.9	Very high	52 Å²	52	53.1 Å²	53.1	24%	0.241	31%	0.311	C	S	.	.	H	α-helix	trans	-104.2	-12.6	-171.4	-68	-65.9	0	0	0	114.5	M164 H172 V175	M164-H168 PolarHBondContact O-N 2.99Å; M164-H168 VanDerWaalsContact O-N 3.08Å; H168-H172 HydrophobicContact CB-CB 3.92Å; H168-H172 WeakPolarHBondContact O-CB 3.4Å; H168-V175 HydrophobicContact CB-CG2 4.12Å
169	G	90.3	Very high	92	Very high	27 Å²	27	56.8 Å²	56.8	28%	0.278	33%	0.327	S	S	.	.			trans	86.6	146.3	-169.1	0	0	0	0	0	112.7	G165 S171 H172	G165-G169 CarbonylContact O-C 3.41Å; G165-G169 WeakPolarHBondContact O-CA 3.42Å; G165-G169 PolarHBondContact O-N 2.85Å; G169-S171 VanDerWaalsContact C-N 3.27Å; G169-S171 PolarHBondContact O-N 3.16Å; G169-H172 VanDerWaalsContact O-CB 3.32Å; G169-H172 WeakPolarHBondContact O-CB 3.45Å; G169-H172 PolarHBondContact O-N 3.11Å
170	P	91.2	Very high	92.1	Very high	99 Å²	99	63.7 Å²	63.7	64%	0.643	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-26.1	-173.1	25.4	-35	0	0	0	114	H172	P170-H172 VanDerWaalsContact C-N 3.33Å
171	S	93.3	Very high	92.2	Very high	104 Å²	104	63.7 Å²	63.7	73%	0.727	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-0.4	-179.7	-54.6	0	0	0	0	113.6	G169	G169-S171 VanDerWaalsContact C-N 3.27Å; G169-S171 PolarHBondContact O-N 3.16Å
172	H	93.8	Very high	92.3	Very high	64 Å²	64	62 Å²	62	30%	0.296	34%	0.341	S	S	.	.			trans	-67.3	135.9	-177.5	-169.8	-87.9	0	0	0	111.1	H168 G169 P170 L174 V175 L176	H168-H172 HydrophobicContact CB-CB 3.92Å; H168-H172 WeakPolarHBondContact O-CB 3.4Å; G169-H172 VanDerWaalsContact O-CB 3.32Å; G169-H172 WeakPolarHBondContact O-CB 3.45Å; G169-H172 PolarHBondContact O-N 3.11Å; P170-H172 VanDerWaalsContact C-N 3.33Å; H172-L174 VanDerWaalsContact C-N 3.26Å; H172-L174 WeakPolarHBondContact ND1-CB 3.45Å; H172-L174 PolarHBondContact ND1-N 2.87Å; H172-L174 PolarHBondContact O-N 3.08Å; H172-L174 VanDerWaalsContact O-N 3.12Å; H172-V175 HydrophobicContact CB-CB 4.4Å; H172-V175 HydrophobicContact CB-CG2 4.05Å; H172-V175 WeakPolarHBondContact O-CA 3.34Å; H172-V175 WeakPolarHBondContact O-CB 3.38Å; H172-V175 PolarHBondContact O-N 2.78Å; H172-L176 PolarHBondContact O-N 3.49Å; H172-L176 VanDerWaalsContact O-N 3.09Å
173	P	93.3	Very high	92.5	Very high	97 Å²	97	66.3 Å²	66.3	63%	0.63	36%	0.355	S	S	*	.	H	α-helix	trans	-55	-36.5	-176.1	-29	35.3	0	0	0	114.8	V175 L176 L177	P173-V175 VanDerWaalsContact C-N 3.34Å; P173-L176 PolarHBondContact O-N 3.38Å; P173-L177 WeakPolarHBondContact O-CB 3.37Å; P173-L177 PolarHBondContact O-N 3.32Å
174	L	91.1	Very high	92.8	Very high	43 Å²	43	67.3 Å²	67.3	23%	0.225	36%	0.357	C	S	.	.	H	α-helix	trans	-65.1	-36.8	175.5	-64.7	178.2	0	0	0	112.8	V100 M164 H172 L177 A178	V100-L174 HydrophobicContact CG1-CD2 4.4Å; V100-L174 HydrophobicContact CG2-CD1 4.35Å; M164-L174 HydrophobicContact SD-CB 4.23Å; H172-L174 VanDerWaalsContact C-N 3.26Å; H172-L174 WeakPolarHBondContact ND1-CB 3.45Å; H172-L174 PolarHBondContact ND1-N 2.87Å; H172-L174 PolarHBondContact O-N 3.08Å; H172-L174 VanDerWaalsContact O-N 3.12Å; L174-L177 PolarHBondContact O-N 3.31Å; L174-A178 WeakPolarHBondContact O-CB 3.39Å; L174-A178 PolarHBondContact O-N 2.86Å
175	V	93.6	Very high	93.2	Very high	3 Å²	3	66.2 Å²	66.2	2%	0.018	35%	0.351	C	S	.	.	H	α-helix	trans	-68.6	-42.9	178.1	174	0	0	0	0	109.7	Y161 M164 H168 H172 P173 L177 A178 K179	Y161-V175 HydrophobicContact CD2-CG1 4.14Å; Y161-V175 WeakPolarHBondContact O-CG1 3.4Å; M164-V175 HydrophobicContact CB-CG2 4.15Å; M164-V175 HydrophobicContact CG-CG2 3.78Å; M164-V175 HydrophobicContact SD-CG2 4.07Å; H168-V175 HydrophobicContact CB-CG2 4.12Å; H172-V175 HydrophobicContact CB-CB 4.4Å; H172-V175 HydrophobicContact CB-CG2 4.05Å; H172-V175 WeakPolarHBondContact O-CA 3.34Å; H172-V175 WeakPolarHBondContact O-CB 3.38Å; H172-V175 PolarHBondContact O-N 2.78Å; P173-V175 VanDerWaalsContact C-N 3.34Å; V175-L177 VanDerWaalsContact C-N 3.34Å; V175-L177 PolarHBondContact O-N 2.57Å; V175-A178 PolarHBondContact O-N 3.18Å; V175-K179 WeakPolarHBondContact O-CB 3.48Å; V175-K179 PolarHBondContact O-N 3.2Å
176	L	95.9	Very high	93.5	Very high	96 Å²	96	65.7 Å²	65.7	50%	0.503	35%	0.345	S	S	.	.	H	α-helix	trans	-63	-39.8	174.8	-61.7	178	0	0	0	112.1	H172 P173 K179 W180	H172-L176 PolarHBondContact O-N 3.49Å; H172-L176 VanDerWaalsContact O-N 3.09Å; P173-L176 PolarHBondContact O-N 3.38Å; L176-K179 PolarHBondContact O-N 3.38Å; L176-W180 PolarHBondContact O-N 3.04Å
177	L	94.8	Very high	94	Very high	100 Å²	100	66.2 Å²	66.2	52%	0.524	34%	0.341	S	S	.	.	H	α-helix	trans	-65	-44.9	174.7	179.9	64	0	0	0	111.8	P173 L174 V175 K179 W180 Y181	P173-L177 WeakPolarHBondContact O-CB 3.37Å; P173-L177 PolarHBondContact O-N 3.32Å; L174-L177 PolarHBondContact O-N 3.31Å; V175-L177 VanDerWaalsContact C-N 3.34Å; V175-L177 PolarHBondContact O-N 2.57Å; L177-K179 VanDerWaalsContact C-N 3.33Å; L177-K179 PolarHBondContact O-N 3.41Å; L177-W180 HydrophobicContact CD1-CE3 4.02Å; L177-W180 HydrophobicContact CD1-CZ3 4.46Å; L177-W180 PolarHBondContact O-N 2.91Å; L177-Y181 WeakPolarHBondContact O-CB 3.45Å; L177-Y181 PolarHBondContact O-N 3.1Å
178	A	94.2	Very high	94.5	Very high	6 Å²	6	63.6 Å²	63.6	5%	0.05	32%	0.323	C	S	.	.	H	α-helix	trans	-60.7	-42.9	175.7	0	0	0	0	0	111.3	M164 L174 V175 W180 Y181 E182	M164-A178 HydrophobicContact CE-CB 4.18Å; M164-A178 HydrophobicContact SD-CB 4.27Å; L174-A178 WeakPolarHBondContact O-CB 3.39Å; L174-A178 PolarHBondContact O-N 2.86Å; V175-A178 PolarHBondContact O-N 3.18Å; A178-W180 PolarHBondContact O-N 2.79Å; A178-Y181 WeakPolarHBondContact O-CB 3.45Å; A178-Y181 PolarHBondContact O-N 3.14Å; A178-E182 PolarHBondContact O-N 3.26Å
179	K	96.5	Very high	95	Very high	86 Å²	86	61.9 Å²	61.9	37%	0.374	32%	0.317	S	S	.	.	H	α-helix	trans	-60	-46.7	175	-174.1	175.6	-174.9	173.5	0	111.9	Y161 V175 L176 L177 Y181 R183	Y161-K179 HydrophobicContact CD1-CB 3.91Å; Y161-K179 HydrophobicContact CD1-CG 3.86Å; Y161-K179 HydrophobicContact CD2-CB 3.87Å; Y161-K179 HydrophobicContact CD2-CD 3.98Å; Y161-K179 HydrophobicContact CD2-CG 4.03Å; Y161-K179 HydrophobicContact CE1-CB 4.5Å; Y161-K179 HydrophobicContact CE1-CD 4.35Å; Y161-K179 HydrophobicContact CE1-CG 3.96Å; Y161-K179 HydrophobicContact CE2-CB 4.47Å; Y161-K179 HydrophobicContact CE2-CD 3.77Å; Y161-K179 HydrophobicContact CE2-CG 4.13Å; Y161-K179 HydrophobicContact CG-CB 3.57Å; Y161-K179 HydrophobicContact CG-CD 4.38Å; Y161-K179 HydrophobicContact CG-CG 3.91Å; V175-K179 WeakPolarHBondContact O-CB 3.48Å; V175-K179 PolarHBondContact O-N 3.2Å; L176-K179 PolarHBondContact O-N 3.38Å; L177-K179 VanDerWaalsContact C-N 3.33Å; L177-K179 PolarHBondContact O-N 3.41Å; K179-Y181 VanDerWaalsContact C-N 3.33Å; K179-R183 VanDerWaalsContact O-CB 3.24Å; K179-R183 WeakPolarHBondContact O-CB 3.33Å; K179-R183 PolarHBondContact O-N 2.71Å
180	W	96.8	Very high	95.3	Very high	147 Å²	147	65.4 Å²	65.4	56%	0.557	33%	0.326	S	S	*	.	H	α-helix	trans	-60.7	-44	175.3	169.9	86.9	0	0	0	111.5	L176 L177 A178 R183 F184	L176-W180 PolarHBondContact O-N 3.04Å; L177-W180 HydrophobicContact CD1-CE3 4.02Å; L177-W180 HydrophobicContact CD1-CZ3 4.46Å; L177-W180 PolarHBondContact O-N 2.91Å; A178-W180 PolarHBondContact O-N 2.79Å; W180-R183 PolarHBondContact O-N 3Å; W180-F184 HydrophobicContact CZ2-CG 4.42Å; W180-F184 VanDerWaalsContact O-CB 3.29Å; W180-F184 WeakPolarHBondContact O-CB 3.44Å; W180-F184 PolarHBondContact O-N 2.88Å
181	Y	96.7	Very high	95.6	Very high	19 Å²	19	63.1 Å²	63.1	8%	0.075	31%	0.308	C	S	.	.	H	α-helix	trans	-60.5	-53.5	179.3	170.7	-85.8	0	0	0	111.6	G134 L135 P136 A139 L177 A178 K179 R183 F184 F185	G134-Y181 PolarHBondContact O-OH 3.19Å; L135-Y181 HydrophobicContact CB-CD1 3.96Å; L135-Y181 HydrophobicContact CB-CE1 3.79Å; L135-Y181 HydrophobicContact CD1-CD1 3.65Å; L135-Y181 HydrophobicContact CD1-CD2 3.57Å; L135-Y181 HydrophobicContact CD1-CE1 3.6Å; L135-Y181 HydrophobicContact CD1-CE2 3.48Å; L135-Y181 VanDerWaalsContact CD1-CE2 3.48Å; L135-Y181 HydrophobicContact CD1-CG 3.67Å; L135-Y181 HydrophobicContact CG-CD1 4.38Å; L135-Y181 HydrophobicContact CG-CE1 4.31Å; P136-Y181 WeakPolarHBondContact CA-OH 3.4Å; P136-Y181 PolarHBondContact O-OH 2.92Å; A139-Y181 HydrophobicContact CB-CE2 3.99Å; A139-Y181 WeakPolarHBondContact CB-OH 3.41Å; A139-Y181 PolarHBondContact N-OH 3.07Å; L177-Y181 WeakPolarHBondContact O-CB 3.45Å; L177-Y181 PolarHBondContact O-N 3.1Å; A178-Y181 WeakPolarHBondContact O-CB 3.45Å; A178-Y181 PolarHBondContact O-N 3.14Å; K179-Y181 VanDerWaalsContact C-N 3.33Å; Y181-R183 VanDerWaalsContact C-N 3.3Å; Y181-R183 PolarHBondContact O-N 2.93Å; Y181-F184 PolarHBondContact O-N 3.08Å; Y181-F185 HydrophobicContact CD1-CD2 4.5Å; Y181-F185 AromaticContact CD2-CD2 3.33Å; Y181-F185 HydrophobicContact CD2-CD2 3.33Å; Y181-F185 AromaticContact CD2-CE2 3.48Å; Y181-F185 HydrophobicContact CD2-CE2 3.48Å; Y181-F185 VanDerWaalsContact CD2-CE2 3.48Å; Y181-F185 HydrophobicContact CD2-CG 4.45Å; Y181-F185 HydrophobicContact CE1-CD2 4.42Å; Y181-F185 AromaticContact CE2-CD2 3.26Å; Y181-F185 HydrophobicContact CE2-CD2 3.26Å; Y181-F185 AromaticContact CE2-CE2 3.41Å; Y181-F185 HydrophobicContact CE2-CE2 3.41Å; Y181-F185 VanDerWaalsContact CE2-CE2 3.41Å; Y181-F185 HydrophobicContact CE2-CG 4.07Å; Y181-F185 HydrophobicContact CE2-CZ 4.32Å; Y181-F185 AromaticContact CG-CD2 3.97Å; Y181-F185 HydrophobicContact CG-CD2 3.97Å; Y181-F185 HydrophobicContact CG-CE2 4.49Å; Y181-F185 AromaticContact CZ-CD2 3.84Å; Y181-F185 WeakPolarHBondContact O-CD2 3.39Å; Y181-F185 PolarHBondContact O-N 3.48Å
182	E	96.3	Very high	95.9	Very high	4 Å²	4	58.8 Å²	58.8	2%	0.019	28%	0.277	C	S	.	.	H	α-helix	trans	-61.1	-42	-179.6	-74.5	-175.2	96.6	0	0	110.7	N131 G160 Y161 A178 G186 W207	N131-E182 PolarHBondContact ND2-OE1 3.41Å; N131-E182 PolarHBondContact OD1-OE1 3.05Å; G160-E182 WeakPolarHBondContact CA-OE2 3.48Å; G160-E182 PolarHBondContact N-OE1 3.22Å; G160-E182 PolarHBondContact N-OE2 3.37Å; Y161-E182 WeakPolarHBondContact CD1-OE2 3.44Å; Y161-E182 PolarHBondContact N-OE2 3.28Å; A178-E182 PolarHBondContact O-N 3.26Å; E182-G186 VanDerWaalsContact O-CA 3.26Å; E182-G186 WeakPolarHBondContact O-CA 3.34Å; E182-G186 PolarHBondContact O-N 3.26Å; E182-W207 VanDerWaalsContact C-CZ3 3.48Å; E182-W207 HydrophobicContact CB-CH2 3.53Å; E182-W207 HydrophobicContact CB-CZ3 3.64Å
183	R	96.8	Very high	96.1	Very high	104 Å²	104	55.8 Å²	55.8	39%	0.392	26%	0.263	S	S	.	.	H	α-helix	trans	-64	-42.7	177	-173.3	-177.7	-171.1	-160	3	112.7	K179 W180 Y181 R187 N206 W207	K179-R183 VanDerWaalsContact O-CB 3.24Å; K179-R183 WeakPolarHBondContact O-CB 3.33Å; K179-R183 PolarHBondContact O-N 2.71Å; W180-R183 PolarHBondContact O-N 3Å; Y181-R183 VanDerWaalsContact C-N 3.3Å; Y181-R183 PolarHBondContact O-N 2.93Å; R183-R187 WeakPolarHBondContact O-CD 3.35Å; R183-R187 WeakPolarHBondContact O-CG 3.34Å; R183-N206 PolarHBondContact NE-O 3.21Å; R183-N206 VanDerWaalsContact NE-O 3.17Å; R183-N206 PolarHBondContact NH2-O 2.84Å; R183-W207 HydrophobicContact CB-CD2 4.08Å; R183-W207 HydrophobicContact CB-CE3 4.14Å; R183-W207 HydrophobicContact CB-CZ3 4.44Å; R183-W207 HydrophobicContact CG-CB 4.39Å; R183-W207 HydrophobicContact CG-CD2 4.09Å; R183-W207 HydrophobicContact CG-CE3 4.47Å; R183-W207 HydrophobicContact CG-CG 4.07Å
184	F	97.1	Very high	96.3	Very high	95 Å²	95	51.2 Å²	51.2	42%	0.417	23%	0.233	S	C	.	.	H	α-helix	trans	-72.3	-54.5	-177.6	178	-97.1	0	0	0	111.3	W180 Y181 R187 L188	W180-F184 HydrophobicContact CZ2-CG 4.42Å; W180-F184 VanDerWaalsContact O-CB 3.29Å; W180-F184 WeakPolarHBondContact O-CB 3.44Å; W180-F184 PolarHBondContact O-N 2.88Å; Y181-F184 PolarHBondContact O-N 3.08Å; F184-R187 PolarHBondContact O-N 3.19Å; F184-L188 HydrophobicContact CE1-CD1 4.26Å
185	F	97.1	Very high	96.6	Very high	38 Å²	38	49.2 Å²	49.2	17%	0.167	22%	0.223	C	C	.	.	H	α-helix	trans	-73.9	-29.9	-177	-76.6	-78.8	0	0	0	112.6	I138 A139 Y181 R187 L188	I138-F185 HydrophobicContact CB-CB 4.22Å; I138-F185 HydrophobicContact CG2-CB 3.66Å; A139-F185 HydrophobicContact CB-CD1 3.51Å; A139-F185 HydrophobicContact CB-CD2 4.29Å; A139-F185 HydrophobicContact CB-CE1 3.43Å; A139-F185 VanDerWaalsContact CB-CE1 3.43Å; A139-F185 HydrophobicContact CB-CE2 4.22Å; A139-F185 HydrophobicContact CB-CG 3.95Å; A139-F185 HydrophobicContact CB-CZ 3.81Å; Y181-F185 HydrophobicContact CD1-CD2 4.5Å; Y181-F185 AromaticContact CD2-CD2 3.33Å; Y181-F185 HydrophobicContact CD2-CD2 3.33Å; Y181-F185 AromaticContact CD2-CE2 3.48Å; Y181-F185 HydrophobicContact CD2-CE2 3.48Å; Y181-F185 VanDerWaalsContact CD2-CE2 3.48Å; Y181-F185 HydrophobicContact CD2-CG 4.45Å; Y181-F185 HydrophobicContact CE1-CD2 4.42Å; Y181-F185 AromaticContact CE2-CD2 3.26Å; Y181-F185 HydrophobicContact CE2-CD2 3.26Å; Y181-F185 AromaticContact CE2-CE2 3.41Å; Y181-F185 HydrophobicContact CE2-CE2 3.41Å; Y181-F185 VanDerWaalsContact CE2-CE2 3.41Å; Y181-F185 HydrophobicContact CE2-CG 4.07Å; Y181-F185 HydrophobicContact CE2-CZ 4.32Å; Y181-F185 AromaticContact CG-CD2 3.97Å; Y181-F185 HydrophobicContact CG-CD2 3.97Å; Y181-F185 HydrophobicContact CG-CE2 4.49Å; Y181-F185 AromaticContact CZ-CD2 3.84Å; Y181-F185 WeakPolarHBondContact O-CD2 3.39Å; Y181-F185 PolarHBondContact O-N 3.48Å; F185-R187 PolarHBondContact O-N 3.48Å; F185-L188 HydrophobicContact CD1-CD1 3.83Å; F185-L188 HydrophobicContact CE1-CD1 4.34Å; F185-L188 WeakPolarHBondContact O-CB 3.27Å; F185-L188 PolarHBondContact O-N 3.28Å
186	G	96.4	Very high	96.8	Very high	0 Å²	0	49 Å²	49	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-59	-33.2	174.5	0	0	0	0	0	113	E182 L188 S189 I209	E182-G186 VanDerWaalsContact O-CA 3.26Å; E182-G186 WeakPolarHBondContact O-CA 3.34Å; E182-G186 PolarHBondContact O-N 3.26Å; G186-L188 PolarHBondContact O-N 3.18Å; G186-S189 PolarHBondContact O-N 3.04Å; G186-S189 PolarHBondContact O-OG 3.2Å; G186-I209 VanDerWaalsContact C-CD1 3.46Å
187	R	97.2	Very high	96.9	Very high	97 Å²	97	46.7 Å²	46.7	37%	0.366	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-16.5	175.7	-72.9	170	174.3	165.2	2	114.4	R183 F184 F185 S189 W207 I209	R183-R187 WeakPolarHBondContact O-CD 3.35Å; R183-R187 WeakPolarHBondContact O-CG 3.34Å; F184-R187 PolarHBondContact O-N 3.19Å; F185-R187 PolarHBondContact O-N 3.48Å; R187-S189 VanDerWaalsContact C-N 3.34Å; R187-W207 VanDerWaalsContact CZ-O 3.25Å; R187-W207 PolarHBondContact NE-O 2.96Å; R187-W207 PolarHBondContact NH2-O 3.14Å; R187-I209 HydrophobicContact CG-CD1 4.28Å; R187-I209 HydrophobicContact CG-CG1 3.83Å
188	L	96.6	Very high	97	Very high	54 Å²	54	42.5 Å²	42.5	28%	0.283	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-4.6	-176.8	-55	178.1	0	0	0	112.4	W142 F184 F185 G186	W142-L188 VanDerWaalsContact CD1-CB 3.49Å; W142-L188 VanDerWaalsContact CD1-O 3.23Å; W142-L188 HydrophobicContact CD2-CB 4.33Å; W142-L188 HydrophobicContact CD2-CD1 3.95Å; W142-L188 HydrophobicContact CE3-CD1 4.32Å; W142-L188 HydrophobicContact CG-CB 3.98Å; W142-L188 HydrophobicContact CG-CD1 4.35Å; W142-L188 HydrophobicContact CH2-CD1 4.5Å; W142-L188 HydrophobicContact CZ2-CD1 4.15Å; F184-L188 HydrophobicContact CE1-CD1 4.26Å; F185-L188 HydrophobicContact CD1-CD1 3.83Å; F185-L188 HydrophobicContact CE1-CD1 4.34Å; F185-L188 WeakPolarHBondContact O-CB 3.27Å; F185-L188 PolarHBondContact O-N 3.28Å; G186-L188 PolarHBondContact O-N 3.18Å
189	S	96.4	Very high	97.2	Very high	17 Å²	17	42.2 Å²	42.2	12%	0.119	19%	0.187	C	C	.	.			trans	-69.6	157.6	174.8	64.3	0	0	0	0	111.9	G186 R187 N192	G186-S189 PolarHBondContact O-N 3.04Å; G186-S189 PolarHBondContact O-OG 3.2Å; R187-S189 VanDerWaalsContact C-N 3.34Å; S189-N192 PolarHBondContact OG-ND2 3.17Å; S189-N192 PolarHBondContact OG-OD1 3.35Å
190	H	96.7	Very high	97.3	Very high	101 Å²	101	42.3 Å²	42.3	47%	0.468	19%	0.185	S	C	.	.	S	Bend	trans	-88.8	-38.6	178.9	-61.3	64.9	0	0	0	110.7	K151 L152	K151-H190 HydrophobicContact CB-CB 4.06Å; K151-H190 HydrophobicContact CG-CB 4.49Å; L152-H190 PolarHBondContact N-ND1 3.45Å; L152-H190 VanDerWaalsContact N-ND1 3.13Å; L152-H190 WeakPolarHBondContact O-CB 3.34Å; L152-H190 PolarHBondContact O-N 3.04Å
191	L	97.3	Very high	97.4	Very high	50 Å²	50	39.9 Å²	39.9	26%	0.262	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	148	178	-61.9	173.2	0	0	0	109.1	Y126 L152 V153 I154 L460	Y126-L191 HydrophobicContact CE1-CD1 4.11Å; L152-L191 PolarHBondContact O-N 3.37Å; L152-L191 VanDerWaalsContact O-N 3.16Å; V153-L191 VanDerWaalsContact CA-O 3.31Å; V153-L191 WeakPolarHBondContact CA-O 3.32Å; V153-L191 HydrophobicContact CB-CB 4.43Å; V153-L191 HydrophobicContact CG1-CB 4.1Å; V153-L191 HydrophobicContact CG2-CB 4.11Å; V153-L191 HydrophobicContact CG2-CD1 4.17Å; I154-L191 PolarHBondContact N-O 2.82Å; L191-L460 HydrophobicContact CD1-CB 4.3Å
192	N	98.4	Very high	97.4	Very high	13 Å²	13	40 Å²	40	7%	0.07	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	131	175.6	-59.7	-86.2	0	0	0	108.9	I154 W156 S189 I209 R210 A211 V212	I154-N192 CarbonylContact O-C 3.57Å; I154-N192 VanDerWaalsContact O-CA 3.3Å; I154-N192 WeakPolarHBondContact O-CA 3.49Å; W156-N192 PolarHBondContact NE1-OD1 3.43Å; S189-N192 PolarHBondContact OG-ND2 3.17Å; S189-N192 PolarHBondContact OG-OD1 3.35Å; N192-I209 HydrophobicContact CB-CG2 3.88Å; N192-I209 VanDerWaalsContact ND2-CG2 3.34Å; N192-I209 WeakPolarHBondContact ND2-CG2 3.11Å; N192-R210 PolarHBondContact ND2-O 3.17Å; N192-A211 HydrophobicContact CB-CB 3.81Å; N192-A211 CarbonylContact O-C 3.44Å; N192-A211 VanDerWaalsContact O-CA 3.22Å; N192-A211 WeakPolarHBondContact O-CA 3.19Å; N192-V212 PolarHBondContact O-N 2.89Å
193	L	98.4	Very high	97.5	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	147.6	171.5	-51.8	179.6	0	0	0	107.8	F128 V153 I154 D155 W156 V212 V214 V457 L460	F128-L193 HydrophobicContact CE1-CD1 3.98Å; V153-L193 HydrophobicContact CG1-CD1 4.09Å; V153-L193 HydrophobicContact CG1-CG 4Å; I154-L193 PolarHBondContact O-N 2.8Å; D155-L193 HydrophobicContact CB-CB 4.32Å; D155-L193 WeakPolarHBondContact OD1-CB 3.48Å; W156-L193 VanDerWaalsContact CD1-O 3.23Å; W156-L193 PolarHBondContact N-O 3.27Å; L193-V212 CarbonylContact C-O 3.6Å; L193-V212 VanDerWaalsContact CA-O 3.29Å; L193-V212 WeakPolarHBondContact CA-O 3.29Å; L193-V212 HydrophobicContact CD2-CB 4.23Å; L193-V214 HydrophobicContact CB-CG2 4.2Å; L193-V214 HydrophobicContact CD1-CG2 4.42Å; L193-V214 HydrophobicContact CD2-CG2 4Å; L193-V214 HydrophobicContact CG-CG2 4.43Å; L193-V457 HydrophobicContact CD1-CG1 4.18Å; L193-V457 HydrophobicContact CD1-CG2 4.07Å; L193-V457 HydrophobicContact CD2-CG2 4.44Å; L193-L460 HydrophobicContact CD2-CD1 3.9Å
194	C	98	Very high	97.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	155.7	175.7	59	0	0	0	0	112	W156 T196 M199 R200 L203 A211 V212 T213 V214	W156-C194 HydrophobicContact CB-CB 4.13Å; W156-C194 WeakPolarHBondContact O-CA 3.5Å; C194-T196 PolarHBondContact O-N 3.16Å; C194-T196 PolarHBondContact SG-O 3.2Å; C194-M199 HydrophobicContact CB-CB 4.19Å; C194-M199 HydrophobicContact CB-CG 3.92Å; C194-M199 HydrophobicContact CB-SD 3.84Å; C194-R200 VanDerWaalsContact SG-CB 3.56Å; C194-L203 HydrophobicContact CB-CD1 4.03Å; C194-A211 HydrophobicContact CB-CB 4.35Å; C194-V212 PolarHBondContact N-O 3.38Å; C194-T213 CarbonylContact O-C 3.46Å; C194-T213 WeakPolarHBondContact O-CA 3.14Å; C194-V214 PolarHBondContact O-N 3.13Å
195	V	96.9	Very high	97.6	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	19%	0.194	C	C	.	.	S	Bend	trans	-74.4	-21.4	-172.8	-70.8	0	0	0	0	114.6	W156 H157 M199 Y215	W156-V195 PolarHBondContact O-N 2.8Å; H157-V195 HydrophobicContact CB-CG1 4.29Å; H157-V195 WeakPolarHBondContact O-CG2 3.34Å; V195-M199 HydrophobicContact CG2-CE 4.1Å; V195-M199 HydrophobicContact CG2-SD 4.18Å; V195-Y215 VanDerWaalsContact O-CD1 3.32Å; V195-Y215 WeakPolarHBondContact O-CD1 3.44Å
196	T	97.8	Very high	97.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.207	C	C	.	.			trans	-141.7	158.7	-175.3	61.3	0	0	0	0	113.3	C194 A198 M199 R200 T213 L373 L375 C396	C194-T196 PolarHBondContact O-N 3.16Å; C194-T196 PolarHBondContact SG-O 3.2Å; T196-A198 VanDerWaalsContact C-N 3.34Å; T196-M199 PolarHBondContact O-N 2.96Å; T196-M199 WeakPolarHBondContact OG1-CB 3.32Å; T196-M199 PolarHBondContact OG1-N 3.49Å; T196-R200 PolarHBondContact O-N 3.45Å; T196-T213 VanDerWaalsContact C-CG2 3.44Å; T196-T213 PolarHBondContact O-OG1 2.9Å; T196-L373 VanDerWaalsContact CG2-O 3.31Å; T196-L373 WeakPolarHBondContact CG2-O 3.41Å; T196-L373 PolarHBondContact OG1-O 3.27Å; T196-L375 HydrophobicContact CG2-CB 4.46Å; T196-L375 HydrophobicContact CG2-CD1 3.6Å; T196-L375 HydrophobicContact CG2-CD2 4.41Å; T196-L375 HydrophobicContact CG2-CG 3.48Å; T196-L375 VanDerWaalsContact CG2-CG 3.48Å; T196-C396 HydrophobicContact CG2-CB 4.4Å
197	N	98.1	Very high	97.6	Very high	47 Å²	47	42 Å²	42	25%	0.251	21%	0.208	S	C	.	.	H	α-helix	trans	-66.9	-37.6	169.3	-76.1	-26.6	0	0	0	111.4	M199 R200 E201 T213 Y215 E399	N197-M199 VanDerWaalsContact C-N 3.29Å; N197-M199 PolarHBondContact O-N 3.47Å; N197-R200 WeakPolarHBondContact O-CB 3.5Å; N197-R200 PolarHBondContact O-N 2.87Å; N197-R200 VanDerWaalsContact O-N 3.14Å; N197-R200 PolarHBondContact OD1-NH1 2.89Å; N197-E201 WeakPolarHBondContact O-CG 3.39Å; N197-E201 PolarHBondContact O-N 2.96Å; N197-T213 WeakPolarHBondContact OD1-CB 3.37Å; N197-T213 PolarHBondContact OD1-OG1 2.81Å; N197-Y215 PolarHBondContact ND2-OH 2.94Å; N197-E399 WeakPolarHBondContact CB-OE2 3.48Å; N197-E399 PolarHBondContact N-OE1 3.36Å; N197-E399 PolarHBondContact N-OE2 2.82Å
198	A	98.1	Very high	97.6	Very high	12 Å²	12	47 Å²	47	10%	0.099	23%	0.227	C	C	.	.	H	α-helix	trans	-58	-41.8	173.8	0	0	0	0	0	111.7	T196 D202 L373 C396 E399	T196-A198 VanDerWaalsContact C-N 3.34Å; A198-D202 WeakPolarHBondContact O-CB 3.32Å; A198-D202 PolarHBondContact O-N 3.22Å; A198-L373 HydrophobicContact CB-CD2 3.78Å; A198-C396 HydrophobicContact CB-CB 3.56Å; A198-E399 WeakPolarHBondContact CB-OE1 3.46Å; A198-E399 PolarHBondContact N-OE1 3.39Å
199	M	98.1	Very high	97.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-68.2	-40.7	174.6	-173.2	171.9	-72.9	0	0	111.9	W156 H157 C194 V195 T196 N197 E201 D202 L203 L373	W156-M199 HydrophobicContact CB-SD 3.6Å; W156-M199 VanDerWaalsContact O-SD 3.32Å; H157-M199 WeakPolarHBondContact O-CE 3.23Å; C194-M199 HydrophobicContact CB-CB 4.19Å; C194-M199 HydrophobicContact CB-CG 3.92Å; C194-M199 HydrophobicContact CB-SD 3.84Å; V195-M199 HydrophobicContact CG2-CE 4.1Å; V195-M199 HydrophobicContact CG2-SD 4.18Å; T196-M199 PolarHBondContact O-N 2.96Å; T196-M199 WeakPolarHBondContact OG1-CB 3.32Å; T196-M199 PolarHBondContact OG1-N 3.49Å; N197-M199 VanDerWaalsContact C-N 3.29Å; N197-M199 PolarHBondContact O-N 3.47Å; M199-E201 VanDerWaalsContact C-N 3.29Å; M199-E201 PolarHBondContact O-N 3.2Å; M199-D202 PolarHBondContact O-N 3.31Å; M199-L203 HydrophobicContact CG-CD1 3.93Å; M199-L203 HydrophobicContact CG-CG 4.17Å; M199-L203 VanDerWaalsContact O-CB 3.3Å; M199-L203 WeakPolarHBondContact O-CB 3.23Å; M199-L203 VanDerWaalsContact O-CG 3.28Å; M199-L203 WeakPolarHBondContact O-CG 3.44Å; M199-L203 PolarHBondContact O-N 3.25Å; M199-L373 HydrophobicContact CB-CB 4.08Å; M199-L373 HydrophobicContact CE-CB 3.76Å
200	R	98.3	Very high	97.7	Very high	88 Å²	88	54.8 Å²	54.8	33%	0.332	25%	0.25	S	S	.	.	H	α-helix	trans	-56	-45.9	175.5	-176.3	-166.2	64.9	-162.7	-3.7	111.4	C194 T196 N197 A204 A211	C194-R200 VanDerWaalsContact SG-CB 3.56Å; T196-R200 PolarHBondContact O-N 3.45Å; N197-R200 WeakPolarHBondContact O-CB 3.5Å; N197-R200 PolarHBondContact O-N 2.87Å; N197-R200 VanDerWaalsContact O-N 3.14Å; N197-R200 PolarHBondContact OD1-NH1 2.89Å; R200-A204 WeakPolarHBondContact O-CB 3.28Å; R200-A204 PolarHBondContact O-N 3.48Å; R200-A211 HydrophobicContact CG-CB 4.43Å; R200-A211 WeakPolarHBondContact CG-O 3.31Å
201	E	98.2	Very high	97.8	Very high	95 Å²	95	50.5 Å²	50.5	44%	0.444	23%	0.232	S	C	.	.	H	α-helix	trans	-67.1	-45.3	179	-75	161.6	-157.9	0	0	111.2	N197 M199 L203 A204 E205	N197-E201 WeakPolarHBondContact O-CG 3.39Å; N197-E201 PolarHBondContact O-N 2.96Å; M199-E201 VanDerWaalsContact C-N 3.29Å; M199-E201 PolarHBondContact O-N 3.2Å; E201-L203 PolarHBondContact O-N 3Å; E201-A204 PolarHBondContact O-N 2.88Å; E201-A204 VanDerWaalsContact O-N 3.16Å; E201-E205 WeakPolarHBondContact O-CB 3.31Å; E201-E205 WeakPolarHBondContact O-CG 3.16Å; E201-E205 PolarHBondContact O-N 2.8Å
202	D	98	Very high	97.8	Very high	22 Å²	22	50.7 Å²	50.7	12%	0.118	24%	0.236	C	C	.	.	H	α-helix	trans	-60.2	-45.1	175.7	-171.6	-92.9	0	0	0	112.2	Y159 A198 M199 A204 N206 L373	Y159-D202 WeakPolarHBondContact CE2-OD1 3.19Å; Y159-D202 PolarHBondContact OH-OD1 3.4Å; A198-D202 WeakPolarHBondContact O-CB 3.32Å; A198-D202 PolarHBondContact O-N 3.22Å; M199-D202 PolarHBondContact O-N 3.31Å; D202-A204 VanDerWaalsContact C-N 3.32Å; D202-A204 PolarHBondContact O-N 3.22Å; D202-N206 VanDerWaalsContact O-CB 3.27Å; D202-N206 WeakPolarHBondContact O-CB 3.42Å; D202-N206 PolarHBondContact O-N 2.81Å; D202-N206 PolarHBondContact OD2-ND2 3.24Å; D202-L373 HydrophobicContact CB-CD1 3.72Å
203	L	98.1	Very high	97.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.237	C	C	.	.	I	π-helix	trans	-59.8	-42.3	174.7	-77.2	172.1	0	0	0	111.4	W156 Y159 C194 M199 E201 W207 R208 I209 A211	W156-L203 HydrophobicContact CB-CD1 4.23Å; W156-L203 HydrophobicContact CD2-CD1 4.35Å; W156-L203 HydrophobicContact CD2-CD2 4.14Å; W156-L203 HydrophobicContact CE3-CD2 4.39Å; W156-L203 HydrophobicContact CG-CD1 3.89Å; Y159-L203 HydrophobicContact CE1-CD2 3.89Å; C194-L203 HydrophobicContact CB-CD1 4.03Å; M199-L203 HydrophobicContact CG-CD1 3.93Å; M199-L203 HydrophobicContact CG-CG 4.17Å; M199-L203 VanDerWaalsContact O-CB 3.3Å; M199-L203 WeakPolarHBondContact O-CB 3.23Å; M199-L203 VanDerWaalsContact O-CG 3.28Å; M199-L203 WeakPolarHBondContact O-CG 3.44Å; M199-L203 PolarHBondContact O-N 3.25Å; E201-L203 PolarHBondContact O-N 3Å; L203-W207 HydrophobicContact CD2-CB 4.39Å; L203-W207 HydrophobicContact CD2-CD2 4.22Å; L203-W207 HydrophobicContact CD2-CE3 3.97Å; L203-W207 HydrophobicContact CD2-CG 4.41Å; L203-W207 CarbonylContact O-C 3.48Å; L203-W207 VanDerWaalsContact O-CA 3.26Å; L203-W207 WeakPolarHBondContact O-CA 3.38Å; L203-W207 VanDerWaalsContact O-CB 3.24Å; L203-W207 WeakPolarHBondContact O-CB 3.36Å; L203-W207 PolarHBondContact O-N 3.45Å; L203-W207 VanDerWaalsContact O-N 3.13Å; L203-R208 PolarHBondContact O-N 3.21Å; L203-I209 CarbonylContact C-O 3.55Å; L203-I209 VanDerWaalsContact C-O 3.27Å; L203-I209 HydrophobicContact CB-CB 4.22Å; L203-I209 HydrophobicContact CB-CG2 4.5Å; L203-I209 HydrophobicContact CD2-CB 4.36Å; L203-I209 HydrophobicContact CD2-CD1 4.25Å; L203-I209 HydrophobicContact CD2-CG2 4.46Å; L203-I209 PolarHBondContact O-N 2.79Å; L203-A211 HydrophobicContact CD1-CB 3.88Å
204	A	98.1	Very high	97.7	Very high	47 Å²	47	50.9 Å²	50.9	39%	0.388	24%	0.237	S	C	.	.	I	π-helix	trans	-67.8	-50.2	179.8	0	0	0	0	0	111.9	R200 E201 D202 R208 I209	R200-A204 WeakPolarHBondContact O-CB 3.28Å; R200-A204 PolarHBondContact O-N 3.48Å; E201-A204 PolarHBondContact O-N 2.88Å; E201-A204 VanDerWaalsContact O-N 3.16Å; D202-A204 VanDerWaalsContact C-N 3.32Å; D202-A204 PolarHBondContact O-N 3.22Å; A204-R208 WeakPolarHBondContact O-CA 3.3Å; A204-R208 PolarHBondContact O-N 3.36Å; A204-R208 VanDerWaalsContact O-N 3.1Å; A204-I209 WeakPolarHBondContact CA-O 3.45Å; A204-I209 PolarHBondContact N-O 2.87Å
205	E	97.4	Very high	97.6	Very high	150 Å²	150	53.7 Å²	53.7	70%	0.701	25%	0.248	S	C	*	.	I	π-helix	trans	-77	-50.5	-172.9	-66.9	-179.5	172.7	0	0	112.1	E201	E201-E205 WeakPolarHBondContact O-CB 3.31Å; E201-E205 WeakPolarHBondContact O-CG 3.16Å; E201-E205 PolarHBondContact O-N 2.8Å
206	N	96.5	Very high	97.4	Very high	80 Å²	80	54.4 Å²	54.4	43%	0.428	25%	0.252	S	S	.	.	I	π-helix	trans	-85.9	-34.8	-173.1	-67.1	-47.9	0	0	0	111.4	R183 D202	R183-N206 PolarHBondContact NE-O 3.21Å; R183-N206 VanDerWaalsContact NE-O 3.17Å; R183-N206 PolarHBondContact NH2-O 2.84Å; D202-N206 VanDerWaalsContact O-CB 3.27Å; D202-N206 WeakPolarHBondContact O-CB 3.42Å; D202-N206 PolarHBondContact O-N 2.81Å; D202-N206 PolarHBondContact OD2-ND2 3.24Å
207	W	96.7	Very high	97.2	Very high	5 Å²	5	57 Å²	57	2%	0.019	26%	0.263	C	S	.	.	I	π-helix	trans	-107.6	-12.1	-172.6	-64.7	41.5	0	0	0	112.6	W156 Y159 Y161 E182 R183 R187 L203 I209	W156-W207 HydrophobicContact CE3-CZ3 4.44Å; W156-W207 HydrophobicContact CH2-CE3 4.1Å; W156-W207 AromaticContact CH2-CZ3 3.56Å; W156-W207 HydrophobicContact CH2-CZ3 3.56Å; W156-W207 HydrophobicContact CZ3-CE3 4.3Å; W156-W207 HydrophobicContact CZ3-CH2 4.2Å; W156-W207 AromaticContact CZ3-CZ3 3.48Å; W156-W207 HydrophobicContact CZ3-CZ3 3.48Å; W156-W207 VanDerWaalsContact CZ3-CZ3 3.48Å; Y159-W207 AromaticContact CD1-CH2 3.63Å; Y159-W207 HydrophobicContact CD1-CH2 3.63Å; Y159-W207 AromaticContact CD1-CZ2 3.93Å; Y159-W207 HydrophobicContact CD1-CZ2 3.93Å; Y159-W207 HydrophobicContact CD1-CZ3 4.22Å; Y159-W207 HydrophobicContact CE1-CE3 4.47Å; Y159-W207 AromaticContact CE1-CH2 3.78Å; Y159-W207 HydrophobicContact CE1-CH2 3.78Å; Y159-W207 AromaticContact CE1-CZ2 3.88Å; Y159-W207 HydrophobicContact CE1-CZ2 3.88Å; Y159-W207 HydrophobicContact CE1-CZ3 4.08Å; Y159-W207 HydrophobicContact CE2-CZ2 4.45Å; Y159-W207 HydrophobicContact CG-CH2 4.27Å; Y159-W207 HydrophobicContact CG-CZ2 4.28Å; Y161-W207 HydrophobicContact CD1-CH2 4.28Å; Y161-W207 HydrophobicContact CD1-CZ2 4.15Å; Y161-W207 HydrophobicContact CE1-CH2 4.09Å; Y161-W207 AromaticContact CE1-CZ2 3.59Å; Y161-W207 HydrophobicContact CE1-CZ2 3.59Å; E182-W207 VanDerWaalsContact C-CZ3 3.48Å; E182-W207 HydrophobicContact CB-CH2 3.53Å; E182-W207 HydrophobicContact CB-CZ3 3.64Å; R183-W207 HydrophobicContact CB-CD2 4.08Å; R183-W207 HydrophobicContact CB-CE3 4.14Å; R183-W207 HydrophobicContact CB-CZ3 4.44Å; R183-W207 HydrophobicContact CG-CB 4.39Å; R183-W207 HydrophobicContact CG-CD2 4.09Å; R183-W207 HydrophobicContact CG-CE3 4.47Å; R183-W207 HydrophobicContact CG-CG 4.07Å; R187-W207 VanDerWaalsContact CZ-O 3.25Å; R187-W207 PolarHBondContact NE-O 2.96Å; R187-W207 PolarHBondContact NH2-O 3.14Å; L203-W207 HydrophobicContact CD2-CB 4.39Å; L203-W207 HydrophobicContact CD2-CD2 4.22Å; L203-W207 HydrophobicContact CD2-CE3 3.97Å; L203-W207 HydrophobicContact CD2-CG 4.41Å; L203-W207 CarbonylContact O-C 3.48Å; L203-W207 VanDerWaalsContact O-CA 3.26Å; L203-W207 WeakPolarHBondContact O-CA 3.38Å; L203-W207 VanDerWaalsContact O-CB 3.24Å; L203-W207 WeakPolarHBondContact O-CB 3.36Å; L203-W207 PolarHBondContact O-N 3.45Å; L203-W207 VanDerWaalsContact O-N 3.13Å; W207-I209 HydrophobicContact CB-CB 4.36Å; W207-I209 HydrophobicContact CB-CD1 3.92Å; W207-I209 HydrophobicContact CB-CG1 3.96Å; W207-I209 HydrophobicContact CE3-CD1 3.85Å; W207-I209 PolarHBondContact O-N 3.49Å
208	R	97.3	Very high	96.8	Very high	204 Å²	204	54.8 Å²	54.8	77%	0.77	25%	0.251	S	S	*	.			trans	55.2	35.4	-173.5	-54	-178.2	-178.3	176	-1.6	111.9	L203 A204	L203-R208 PolarHBondContact O-N 3.21Å; A204-R208 WeakPolarHBondContact O-CA 3.3Å; A204-R208 PolarHBondContact O-N 3.36Å; A204-R208 VanDerWaalsContact O-N 3.1Å
209	I	97.8	Very high	96.1	Very high	5 Å²	5	54.7 Å²	54.7	3%	0.026	25%	0.25	C	S	.	.			trans	-108.5	119.5	176.9	-66.6	178.2	0	0	0	107.2	W156 G186 R187 N192 L203 A204 W207	W156-I209 HydrophobicContact CZ2-CD1 4.01Å; G186-I209 VanDerWaalsContact C-CD1 3.46Å; R187-I209 HydrophobicContact CG-CD1 4.28Å; R187-I209 HydrophobicContact CG-CG1 3.83Å; N192-I209 HydrophobicContact CB-CG2 3.88Å; N192-I209 VanDerWaalsContact ND2-CG2 3.34Å; N192-I209 WeakPolarHBondContact ND2-CG2 3.11Å; L203-I209 CarbonylContact C-O 3.55Å; L203-I209 VanDerWaalsContact C-O 3.27Å; L203-I209 HydrophobicContact CB-CB 4.22Å; L203-I209 HydrophobicContact CB-CG2 4.5Å; L203-I209 HydrophobicContact CD2-CB 4.36Å; L203-I209 HydrophobicContact CD2-CD1 4.25Å; L203-I209 HydrophobicContact CD2-CG2 4.46Å; L203-I209 PolarHBondContact O-N 2.79Å; A204-I209 WeakPolarHBondContact CA-O 3.45Å; A204-I209 PolarHBondContact N-O 2.87Å; W207-I209 HydrophobicContact CB-CB 4.36Å; W207-I209 HydrophobicContact CB-CD1 3.92Å; W207-I209 HydrophobicContact CB-CG1 3.96Å; W207-I209 HydrophobicContact CE3-CD1 3.85Å; W207-I209 PolarHBondContact O-N 3.49Å
210	R	97.7	Very high	95.5	Very high	228 Å²	228	58.7 Å²	58.7	86%	0.86	28%	0.278	S	S	*	.			trans	-81.3	123.2	171.8	-174.9	178.2	178	-178.7	-1.1	108.7	N192	N192-R210 PolarHBondContact ND2-O 3.17Å
211	A	98	Very high	95	Very high	11 Å²	11	58.9 Å²	58.9	9%	0.091	28%	0.282	C	S	.	.			trans	-123.9	160.4	177.8	0	0	0	0	0	112	N192 C194 R200 L203	N192-A211 HydrophobicContact CB-CB 3.81Å; N192-A211 CarbonylContact O-C 3.44Å; N192-A211 VanDerWaalsContact O-CA 3.22Å; N192-A211 WeakPolarHBondContact O-CA 3.19Å; C194-A211 HydrophobicContact CB-CB 4.35Å; R200-A211 HydrophobicContact CG-CB 4.43Å; R200-A211 WeakPolarHBondContact CG-O 3.31Å; L203-A211 HydrophobicContact CD1-CB 3.88Å
212	V	98.1	Very high	94.7	Very high	55 Å²	55	54.8 Å²	54.8	33%	0.333	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	128.9	170.4	177.6	0	0	0	0	108.2	N192 L193 C194 V214 L460	N192-V212 PolarHBondContact O-N 2.89Å; L193-V212 CarbonylContact C-O 3.6Å; L193-V212 VanDerWaalsContact CA-O 3.29Å; L193-V212 WeakPolarHBondContact CA-O 3.29Å; L193-V212 HydrophobicContact CD2-CB 4.23Å; C194-V212 PolarHBondContact N-O 3.38Å; V212-V214 PolarHBondContact O-N 3.25Å; V212-L460 HydrophobicContact CB-CD1 4.27Å; V212-L460 HydrophobicContact CG1-CD1 4.36Å; V212-L460 HydrophobicContact CG2-CD1 4.06Å
213	T	97.9	Very high	94.5	Very high	16 Å²	16	59.8 Å²	59.8	10%	0.098	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	126	177.8	-52	0	0	0	0	109.9	C194 T196 N197 Y215	C194-T213 CarbonylContact O-C 3.46Å; C194-T213 WeakPolarHBondContact O-CA 3.14Å; T196-T213 VanDerWaalsContact C-CG2 3.44Å; T196-T213 PolarHBondContact O-OG1 2.9Å; N197-T213 WeakPolarHBondContact OD1-CB 3.37Å; N197-T213 PolarHBondContact OD1-OG1 2.81Å; T213-Y215 HydrophobicContact CG2-CD1 4.25Å; T213-Y215 HydrophobicContact CG2-CD2 4.05Å; T213-Y215 HydrophobicContact CG2-CE1 3.91Å; T213-Y215 HydrophobicContact CG2-CE2 3.69Å; T213-Y215 HydrophobicContact CG2-CG 4.32Å
214	V	96.7	Very high	94.4	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.012	30%	0.297	C	S	.	.			trans	-127.3	96.6	174.1	-177.5	0	0	0	0	106.4	R48 L193 C194 V212 W449 V457	R48-V214 VanDerWaalsContact CZ-O 3.32Å; R48-V214 PolarHBondContact NH1-O 3.01Å; R48-V214 PolarHBondContact NH2-O 2.75Å; L193-V214 HydrophobicContact CB-CG2 4.2Å; L193-V214 HydrophobicContact CD1-CG2 4.42Å; L193-V214 HydrophobicContact CD2-CG2 4Å; L193-V214 HydrophobicContact CG-CG2 4.43Å; C194-V214 PolarHBondContact O-N 3.13Å; V212-V214 PolarHBondContact O-N 3.25Å; V214-W449 HydrophobicContact CG1-CH2 4.4Å; V214-V457 HydrophobicContact CB-CG2 4.49Å; V214-V457 HydrophobicContact CG1-CG2 4.07Å; V214-V457 HydrophobicContact CG2-CG2 3.58Å
215	Y	95.3	Very high	94.4	Very high	60 Å²	60	61 Å²	61	24%	0.235	28%	0.281	C	S	.	.			trans	-65.2	142.2	178.3	-69.1	-70.9	0	0	0	111.2	V195 N197 T213 L375 E399	V195-Y215 VanDerWaalsContact O-CD1 3.32Å; V195-Y215 WeakPolarHBondContact O-CD1 3.44Å; N197-Y215 PolarHBondContact ND2-OH 2.94Å; T213-Y215 HydrophobicContact CG2-CD1 4.25Å; T213-Y215 HydrophobicContact CG2-CD2 4.05Å; T213-Y215 HydrophobicContact CG2-CE1 3.91Å; T213-Y215 HydrophobicContact CG2-CE2 3.69Å; T213-Y215 HydrophobicContact CG2-CG 4.32Å; Y215-L375 HydrophobicContact CD1-CD1 4.14Å; Y215-L375 HydrophobicContact CE1-CD1 4.32Å; Y215-E399 HydrophobicContact CE1-CB 4.3Å; Y215-E399 WeakPolarHBondContact CE1-OE2 3.5Å; Y215-E399 PolarHBondContact OH-OE2 2.84Å
216	D	93.7	Very high	94.4	Very high	16 Å²	16	56.7 Å²	56.7	9%	0.086	27%	0.266	C	S	.	.			trans	-64.9	142.3	164	-69.4	-60.9	0	0	0	110.4	R48 V380	R48-D216 VanDerWaalsContact CD-OD1 3.3Å; R48-D216 WeakPolarHBondContact CD-OD1 3.34Å; R48-D216 IonicContact CZ-OD1 2.73Å; R48-D216 VanDerWaalsContact NH1-CG 3.28Å; R48-D216 IonicContact NH1-OD1 3.71Å; R48-D216 PolarHBondContact NH1-OD1 2.91Å; R48-D216 IonicContact NH1-OD2 2.7Å; R48-D216 PolarHBondContact NH1-OD2 3.03Å; D216-V380 HydrophobicContact CB-CG2 4.34Å
217	K	92.9	Very high	94.5	Very high	54 Å²	54	55.3 Å²	55.3	24%	0.235	26%	0.259	C	S	.	.			trans	-134.4	147	-179	-64.3	-60.3	-177.1	-177.8	0	109.3	V380 L447 W449	K217-V380 VanDerWaalsContact C-CG1 3.46Å; K217-L447 WeakPolarHBondContact CD-O 3.34Å; K217-L447 WeakPolarHBondContact CG-O 3.34Å; K217-W449 HydrophobicContact CB-CB 4.24Å
218	P	89.6	Confident	94.5	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.006	27%	0.273	C	S	.	.			trans	-67	142.6	-176.5	26.6	-31.9	0	0	0	110.4	F222 V380	P218-F222 HydrophobicContact CB-CB 4.25Å; P218-F222 HydrophobicContact CB-CD2 4.44Å; P218-V380 HydrophobicContact CB-CG1 4.21Å; P218-V380 HydrophobicContact CG-CG1 4.4Å; P218-V380 VanDerWaalsContact N-CG1 3.31Å
219	A	84.8	Confident	94.5	Very high	9 Å²	9	50.8 Å²	50.8	7%	0.074	25%	0.25	C	S	.	.			trans	-61.9	158.5	167.5	0	0	0	0	0	111.4	Y51 F221 F222 R448	Y51-A219 HydrophobicContact CE1-CB 4.49Å; Y51-A219 WeakPolarHBondContact OH-CB 3.39Å; A219-F221 HydrophobicContact CB-CD1 3.71Å; A219-F221 HydrophobicContact CB-CD2 4.45Å; A219-F221 HydrophobicContact CB-CE1 3.28Å; A219-F221 HydrophobicContact CB-CE2 4.1Å; A219-F221 HydrophobicContact CB-CG 4.29Å; A219-F221 HydrophobicContact CB-CZ 3.5Å; A219-F221 VanDerWaalsContact CB-CZ 3.5Å; A219-F221 PolarHBondContact O-N 2.85Å; A219-F222 HydrophobicContact CB-CD2 4.03Å; A219-F222 HydrophobicContact CB-CE2 4.34Å; A219-F222 PolarHBondContact O-N 2.93Å; A219-F222 VanDerWaalsContact O-N 3.16Å; A219-R448 PolarHBondContact O-NH1 3.22Å
220	S	84.4	Confident	94.6	Very high	84 Å²	84	51.1 Å²	51.1	59%	0.587	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-23.4	-176.5	55.6	0	0	0	0	114.3
221	F	87.7	Confident	94.6	Very high	92 Å²	92	40.3 Å²	40.3	40%	0.404	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-15.2	178.8	56.8	-104.1	0	0	0	113.8	A219 K223 P354	A219-F221 HydrophobicContact CB-CD1 3.71Å; A219-F221 HydrophobicContact CB-CD2 4.45Å; A219-F221 HydrophobicContact CB-CE1 3.28Å; A219-F221 HydrophobicContact CB-CE2 4.1Å; A219-F221 HydrophobicContact CB-CG 4.29Å; A219-F221 HydrophobicContact CB-CZ 3.5Å; A219-F221 VanDerWaalsContact CB-CZ 3.5Å; A219-F221 PolarHBondContact O-N 2.85Å; F221-K223 PolarHBondContact O-N 2.76Å; F221-P354 HydrophobicContact CD2-CB 4.3Å; F221-P354 HydrophobicContact CD2-CG 3.73Å; F221-P354 HydrophobicContact CE2-CG 4.03Å
222	F	92.6	Very high	94.6	Very high	9 Å²	9	46.8 Å²	46.8	4%	0.039	23%	0.233	C	C	.	.			trans	-77.8	109.7	166.8	-67.2	-71	0	0	0	108.6	P218 A219 Y353 P354 L357 D381 G384 R448	P218-F222 HydrophobicContact CB-CB 4.25Å; P218-F222 HydrophobicContact CB-CD2 4.44Å; A219-F222 HydrophobicContact CB-CD2 4.03Å; A219-F222 HydrophobicContact CB-CE2 4.34Å; A219-F222 PolarHBondContact O-N 2.93Å; A219-F222 VanDerWaalsContact O-N 3.16Å; F222-Y353 AromaticContact CE1-CD1 3.95Å; F222-Y353 HydrophobicContact CE1-CD1 3.95Å; F222-Y353 AromaticContact CE1-CE1 3.84Å; F222-Y353 HydrophobicContact CE1-CE1 3.84Å; F222-Y353 HydrophobicContact CZ-CD1 4.28Å; F222-Y353 HydrophobicContact CZ-CE1 4.09Å; F222-P354 HydrophobicContact CD1-CB 3.84Å; F222-P354 HydrophobicContact CD1-CG 4.09Å; F222-P354 HydrophobicContact CE1-CB 4.02Å; F222-P354 HydrophobicContact CE1-CG 3.8Å; F222-P354 HydrophobicContact CZ-CG 4.45Å; F222-L357 HydrophobicContact CD1-CD1 4.2Å; F222-L357 HydrophobicContact CE1-CD1 4Å; F222-D381 HydrophobicContact CD1-CB 3.99Å; F222-D381 HydrophobicContact CD2-CB 4.36Å; F222-D381 HydrophobicContact CE1-CB 3.67Å; F222-D381 HydrophobicContact CE2-CB 4.04Å; F222-D381 VanDerWaalsContact CE2-CG 3.46Å; F222-D381 WeakPolarHBondContact CE2-OD1 3.44Å; F222-D381 HydrophobicContact CG-CB 4.32Å; F222-D381 HydrophobicContact CZ-CB 3.68Å; F222-D381 WeakPolarHBondContact CZ-OD2 3.46Å; F222-G384 CarbonylContact C-O 3.59Å; F222-G384 VanDerWaalsContact C-O 3.31Å; F222-G384 CarbonylContact O-C 3.6Å; F222-R448 PolarHBondContact O-NH1 2.91Å
223	K	94.1	Very high	94.5	Very high	127 Å²	127	44.4 Å²	44.4	55%	0.552	22%	0.218	S	C	*	.			trans	-155.1	164.6	-178.8	61.7	-175.6	178	-177	0	110	F221 T225 G384 C385	F221-K223 PolarHBondContact O-N 2.76Å; K223-T225 PolarHBondContact O-N 3.16Å; K223-G384 WeakPolarHBondContact CA-O 3.24Å; K223-C385 PolarHBondContact N-SG 3.3Å; K223-C385 VanDerWaalsContact N-SG 3.41Å; K223-C385 PolarHBondContact O-SG 2.79Å
224	E	95.9	Very high	94.5	Very high	64 Å²	64	43.8 Å²	43.8	30%	0.299	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-58.4	136.9	171	-71.7	-173.7	-97.2	0	0	110.9	P226 C385 C386 R438 R442	E224-P226 WeakPolarHBondContact O-CD 3.32Å; E224-C385 VanDerWaalsContact CG-O 3.23Å; E224-C385 WeakPolarHBondContact CG-O 3.38Å; E224-C386 HydrophobicContact CG-CB 3.64Å; E224-R438 IonicContact OE2-NH1 2.72Å; E224-R442 IonicContact OE1-CZ 2.61Å; E224-R442 IonicContact OE1-NE 3.43Å; E224-R442 PolarHBondContact OE1-NE 3.44Å; E224-R442 IonicContact OE1-NH2 3.51Å; E224-R442 PolarHBondContact OE1-NH2 3.12Å; E224-R442 IonicContact OE2-CZ 2.78Å; E224-R442 IonicContact OE2-NE 2.71Å; E224-R442 IonicContact OE2-NH2 3.55Å; E224-R442 PolarHBondContact OE2-NH2 3.29Å
225	T	98	Very high	94.6	Very high	8 Å²	8	46.8 Å²	46.8	5%	0.049	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-85.2	122	-175.6	-58.4	0	0	0	0	109.6	K223 L229 Q230 L355 G358	K223-T225 PolarHBondContact O-N 3.16Å; T225-L229 HydrophobicContact CG2-CB 3.73Å; T225-Q230 HydrophobicContact CG2-CB 4.46Å; T225-Q230 HydrophobicContact CG2-CG 3.66Å; T225-Q230 WeakPolarHBondContact O-CG 3.46Å; T225-Q230 PolarHBondContact O-NE2 2.96Å; T225-L355 HydrophobicContact CG2-CB 4.32Å; T225-L355 HydrophobicContact CG2-CD2 3.86Å; T225-L355 WeakPolarHBondContact OG1-CA 3.27Å; T225-L355 PolarHBondContact OG1-O 2.9Å; T225-G358 PolarHBondContact N-O 3.36Å; T225-G358 VanDerWaalsContact OG1-C 3.25Å; T225-G358 VanDerWaalsContact OG1-CA 3.27Å; T225-G358 WeakPolarHBondContact OG1-CA 3.23Å
226	P	97.6	Very high	94.6	Very high	60 Å²	60	49.3 Å²	49.3	39%	0.39	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-54.9	142	171.9	-27	35.7	0	0	0	112.2	E224 D228 L229 Q230	E224-P226 WeakPolarHBondContact O-CD 3.32Å; P226-D228 VanDerWaalsContact CB-OD1 3.25Å; P226-D228 WeakPolarHBondContact CB-OD1 3.47Å; P226-D228 PolarHBondContact O-N 3.17Å; P226-D228 VanDerWaalsContact O-N 3.14Å; P226-L229 HydrophobicContact CB-CG 4.48Å; P226-L229 HydrophobicContact CG-CD1 4.33Å; P226-L229 WeakPolarHBondContact O-CA 3.34Å; P226-L229 WeakPolarHBondContact O-CB 3.45Å; P226-L229 PolarHBondContact O-N 2.71Å; P226-Q230 WeakPolarHBondContact O-CG 3.29Å; P226-Q230 PolarHBondContact O-N 2.69Å
227	L	97.4	Very high	94.8	Very high	51 Å²	51	48.9 Å²	48.9	27%	0.267	24%	0.239	S	C	.	.	H	α-helix	trans	-58.7	-32.8	-169.7	-172.6	60.8	0	0	0	113.5	Q230 H231 T261 V270 R272	L227-Q230 HydrophobicContact CD1-CB 4.49Å; L227-Q230 WeakPolarHBondContact O-CB 3.28Å; L227-Q230 PolarHBondContact O-N 2.77Å; L227-H231 PolarHBondContact O-N 2.68Å; L227-T261 HydrophobicContact CD1-CG2 3.95Å; L227-V270 HydrophobicContact CD2-CG1 4.3Å; L227-V270 VanDerWaalsContact CD2-O 3.26Å; L227-V270 WeakPolarHBondContact CD2-O 3.23Å; L227-V270 HydrophobicContact CG-CB 4.34Å; L227-V270 HydrophobicContact CG-CG1 3.83Å; L227-R272 HydrophobicContact CD1-CG 3.68Å; L227-R272 HydrophobicContact CD2-CG 4.43Å
228	D	97.1	Very high	94.9	Very high	60 Å²	60	46.8 Å²	46.8	32%	0.321	23%	0.232	S	C	.	.	H	α-helix	trans	-66.1	-38	175.1	67.9	-63.5	0	0	0	112.6	P226 R232 V270	P226-D228 VanDerWaalsContact CB-OD1 3.25Å; P226-D228 WeakPolarHBondContact CB-OD1 3.47Å; P226-D228 PolarHBondContact O-N 3.17Å; P226-D228 VanDerWaalsContact O-N 3.14Å; D228-R232 WeakPolarHBondContact O-CG 3.15Å; D228-R232 PolarHBondContact O-N 2.83Å; D228-R232 VanDerWaalsContact O-N 3.12Å; D228-R232 IonicContact OD2-NH1 2.71Å; D228-V270 HydrophobicContact CB-CG2 4.48Å
229	L	97.9	Very high	95.1	Very high	55 Å²	55	49.1 Å²	49.1	29%	0.288	26%	0.257	S	S	.	.	H	α-helix	trans	-72.9	-37.1	174.2	-63	-172.3	0	0	0	111.3	T225 P226 H231 R232 L233 L355	T225-L229 HydrophobicContact CG2-CB 3.73Å; P226-L229 HydrophobicContact CB-CG 4.48Å; P226-L229 HydrophobicContact CG-CD1 4.33Å; P226-L229 WeakPolarHBondContact O-CA 3.34Å; P226-L229 WeakPolarHBondContact O-CB 3.45Å; P226-L229 PolarHBondContact O-N 2.71Å; L229-H231 VanDerWaalsContact C-N 3.32Å; L229-H231 PolarHBondContact O-N 3.4Å; L229-R232 PolarHBondContact O-N 3.32Å; L229-L233 WeakPolarHBondContact O-CB 3.4Å; L229-L233 PolarHBondContact O-N 2.99Å; L229-L355 HydrophobicContact CB-CD2 4.46Å; L229-L355 HydrophobicContact CD1-CD2 4.19Å
230	Q	98.3	Very high	95.6	Very high	11 Å²	11	53.7 Å²	53.7	5%	0.051	28%	0.284	C	S	.	.	H	α-helix	trans	-56.1	-49.8	171.7	-54.5	-167	-0.1	0	0	109.9	T225 P226 L227 R232 L233 F234 S359	T225-Q230 HydrophobicContact CG2-CB 4.46Å; T225-Q230 HydrophobicContact CG2-CG 3.66Å; T225-Q230 WeakPolarHBondContact O-CG 3.46Å; T225-Q230 PolarHBondContact O-NE2 2.96Å; P226-Q230 WeakPolarHBondContact O-CG 3.29Å; P226-Q230 PolarHBondContact O-N 2.69Å; L227-Q230 HydrophobicContact CD1-CB 4.49Å; L227-Q230 WeakPolarHBondContact O-CB 3.28Å; L227-Q230 PolarHBondContact O-N 2.77Å; Q230-R232 PolarHBondContact O-N 2.81Å; Q230-L233 WeakPolarHBondContact O-CB 3.49Å; Q230-L233 PolarHBondContact O-N 2.58Å; Q230-F234 HydrophobicContact CB-CD2 4.31Å; Q230-F234 HydrophobicContact CB-CE2 3.82Å; Q230-F234 HydrophobicContact CB-CZ 4.23Å; Q230-F234 WeakPolarHBondContact O-CB 3.42Å; Q230-F234 WeakPolarHBondContact O-CD2 3.47Å; Q230-F234 WeakPolarHBondContact O-CG 3.26Å; Q230-F234 PolarHBondContact O-N 3.23Å; Q230-S359 WeakPolarHBondContact CG-OG 3.48Å
231	H	97.9	Very high	96.1	Very high	2 Å²	2	52 Å²	52	1%	0.009	27%	0.266	C	S	.	.	H	α-helix	trans	-60.5	-46.7	179.8	178.3	85	0	0	0	112.5	L227 L229 L233 F234 M235 E256 T261 V270	L227-H231 PolarHBondContact O-N 2.68Å; L229-H231 VanDerWaalsContact C-N 3.32Å; L229-H231 PolarHBondContact O-N 3.4Å; H231-L233 VanDerWaalsContact C-N 3.32Å; H231-L233 PolarHBondContact O-N 2.91Å; H231-F234 PolarHBondContact O-N 3.41Å; H231-M235 VanDerWaalsContact O-CG 3.31Å; H231-M235 WeakPolarHBondContact O-CG 3.5Å; H231-M235 PolarHBondContact O-N 3.13Å; H231-E256 PolarHBondContact CE1-O 3.25Å; H231-E256 IonicContact NE2-OE2 3.4Å; H231-T261 PolarHBondContact ND1-OG1 3.32Å; H231-V270 HydrophobicContact CB-CG1 3.58Å; H231-V270 HydrophobicContact CB-CG2 4.43Å
232	R	97.7	Very high	96.4	Very high	146 Å²	146	51.5 Å²	51.5	55%	0.551	28%	0.275	S	S	*	.	H	α-helix	trans	-58.4	-44.1	176.4	-73	175.9	-174.9	154.2	4.9	111.8	D228 L229 Q230 M235 K236	D228-R232 WeakPolarHBondContact O-CG 3.15Å; D228-R232 PolarHBondContact O-N 2.83Å; D228-R232 VanDerWaalsContact O-N 3.12Å; D228-R232 IonicContact OD2-NH1 2.71Å; L229-R232 PolarHBondContact O-N 3.32Å; Q230-R232 PolarHBondContact O-N 2.81Å; R232-M235 PolarHBondContact O-N 2.56Å; R232-K236 WeakPolarHBondContact O-CB 3.5Å; R232-K236 PolarHBondContact O-N 2.87Å
233	L	97.9	Very high	96.6	Very high	5 Å²	5	51.7 Å²	51.7	3%	0.026	28%	0.276	C	S	.	.	H	α-helix	trans	-61.7	-47.4	176.1	177.2	67	0	0	0	111.1	L229 Q230 H231 M235 K236 L237 D352 L355 L356	L229-L233 WeakPolarHBondContact O-CB 3.4Å; L229-L233 PolarHBondContact O-N 2.99Å; Q230-L233 WeakPolarHBondContact O-CB 3.49Å; Q230-L233 PolarHBondContact O-N 2.58Å; H231-L233 VanDerWaalsContact C-N 3.32Å; H231-L233 PolarHBondContact O-N 2.91Å; L233-M235 VanDerWaalsContact C-N 3.35Å; L233-M235 PolarHBondContact O-N 3.21Å; L233-K236 WeakPolarHBondContact O-CB 3.43Å; L233-K236 PolarHBondContact O-N 3.49Å; L233-L237 HydrophobicContact CD1-CD1 4.07Å; L233-L237 HydrophobicContact CD1-CG 4.19Å; L233-L237 HydrophobicContact CG-CD1 4Å; L233-L237 HydrophobicContact CG-CG 4.44Å; L233-L237 WeakPolarHBondContact O-CG 3.19Å; L233-L237 PolarHBondContact O-N 2.91Å; L233-D352 HydrophobicContact CD1-CB 3.99Å; L233-L355 HydrophobicContact CD2-CB 3.87Å; L233-L356 HydrophobicContact CD2-CB 3.99Å; L233-L356 HydrophobicContact CD2-CD1 4.32Å
234	F	97.9	Very high	96.7	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.018	25%	0.25	C	S	.	.	H	α-helix	trans	-64.6	-37.6	-179.6	-61.4	-29.4	0	0	0	112.6	Q230 H231 G238 F244 S258 F260 T261 L279	Q230-F234 HydrophobicContact CB-CD2 4.31Å; Q230-F234 HydrophobicContact CB-CE2 3.82Å; Q230-F234 HydrophobicContact CB-CZ 4.23Å; Q230-F234 WeakPolarHBondContact O-CB 3.42Å; Q230-F234 WeakPolarHBondContact O-CD2 3.47Å; Q230-F234 WeakPolarHBondContact O-CG 3.26Å; Q230-F234 PolarHBondContact O-N 3.23Å; H231-F234 PolarHBondContact O-N 3.41Å; F234-G238 PolarHBondContact O-N 3.2Å; F234-F244 HydrophobicContact CB-CD1 4.29Å; F234-F244 AromaticContact CD1-CD1 3.68Å; F234-F244 HydrophobicContact CD1-CD1 3.68Å; F234-F244 AromaticContact CD1-CE1 3.59Å; F234-F244 HydrophobicContact CD1-CE1 3.59Å; F234-F244 HydrophobicContact CE1-CD1 4.41Å; F234-F244 AromaticContact CE1-CE1 3.93Å; F234-F244 HydrophobicContact CE1-CE1 3.93Å; F234-F244 HydrophobicContact CG-CD1 4.3Å; F234-S258 WeakPolarHBondContact CB-OG 3.4Å; F234-F260 HydrophobicContact CD1-CD2 4.12Å; F234-F260 HydrophobicContact CD2-CB 3.71Å; F234-F260 HydrophobicContact CD2-CD2 4.05Å; F234-F260 HydrophobicContact CD2-CG 4.22Å; F234-F260 HydrophobicContact CE1-CD2 4.24Å; F234-F260 HydrophobicContact CE2-CB 3.58Å; F234-F260 HydrophobicContact CE2-CD2 4.17Å; F234-F260 HydrophobicContact CE2-CG 4.02Å; F234-F260 HydrophobicContact CG-CB 4.49Å; F234-F260 HydrophobicContact CG-CD2 4.01Å; F234-F260 HydrophobicContact CZ-CB 4.27Å; F234-F260 HydrophobicContact CZ-CD2 4.23Å; F234-F260 HydrophobicContact CZ-CG 4.24Å; F234-T261 HydrophobicContact CD2-CG2 3.92Å; F234-T261 HydrophobicContact CE2-CG2 3.98Å; F234-L279 HydrophobicContact CE1-CD2 3.78Å; F234-L279 HydrophobicContact CZ-CD2 3.96Å
235	M	97.2	Very high	96.7	Very high	65 Å²	65	49 Å²	49	32%	0.32	26%	0.26	S	S	.	.	H	α-helix	trans	-64.7	-45.1	173.2	-68.8	-57.8	-69.9	0	0	111.4	H231 R232 L233 L237 G238 G239 E256	H231-M235 VanDerWaalsContact O-CG 3.31Å; H231-M235 WeakPolarHBondContact O-CG 3.5Å; H231-M235 PolarHBondContact O-N 3.13Å; R232-M235 PolarHBondContact O-N 2.56Å; L233-M235 VanDerWaalsContact C-N 3.35Å; L233-M235 PolarHBondContact O-N 3.21Å; M235-L237 PolarHBondContact O-N 3.3Å; M235-G238 PolarHBondContact O-N 3.41Å; M235-G239 PolarHBondContact O-N 3.09Å; M235-E256 HydrophobicContact CE-CB 4.18Å
236	K	96.6	Very high	96.4	Very high	113 Å²	113	50.3 Å²	50.3	49%	0.491	27%	0.272	S	S	.	.	H	α-helix	trans	-57.5	-49.1	175	177.2	179.7	171.8	-175.1	0	111.4	R232 L233 G238 G239 D352	R232-K236 WeakPolarHBondContact O-CB 3.5Å; R232-K236 PolarHBondContact O-N 2.87Å; L233-K236 WeakPolarHBondContact O-CB 3.43Å; L233-K236 PolarHBondContact O-N 3.49Å; K236-G238 VanDerWaalsContact C-N 3.34Å; K236-G239 PolarHBondContact O-N 3.15Å; K236-D352 WeakPolarHBondContact CE-OD2 3.46Å; K236-D352 IonicContact NZ-OD1 2.8Å; K236-D352 PolarHBondContact NZ-OD1 2.9Å; K236-D352 IonicContact NZ-OD2 3.8Å; K236-D352 PolarHBondContact NZ-OD2 2.88Å
237	L	96.7	Very high	95.8	Very high	7 Å²	7	53.7 Å²	53.7	4%	0.037	28%	0.277	C	S	.	.	H	α-helix	trans	-67.8	-33	177.3	-67.8	176.2	0	0	0	112.2	L233 M235 G239 T240 H241 F244 L348 L356	L233-L237 HydrophobicContact CD1-CD1 4.07Å; L233-L237 HydrophobicContact CD1-CG 4.19Å; L233-L237 HydrophobicContact CG-CD1 4Å; L233-L237 HydrophobicContact CG-CG 4.44Å; L233-L237 WeakPolarHBondContact O-CG 3.19Å; L233-L237 PolarHBondContact O-N 2.91Å; M235-L237 PolarHBondContact O-N 3.3Å; L237-G239 PolarHBondContact O-N 3.11Å; L237-T240 PolarHBondContact O-N 3.36Å; L237-T240 VanDerWaalsContact O-N 3.16Å; L237-T240 PolarHBondContact O-OG1 3.24Å; L237-H241 WeakPolarHBondContact O-CA 3.47Å; L237-H241 WeakPolarHBondContact O-CB 3.43Å; L237-H241 PolarHBondContact O-N 3.25Å; L237-F244 HydrophobicContact CB-CB 4.02Å; L237-F244 HydrophobicContact CB-CD1 3.92Å; L237-F244 HydrophobicContact CB-CD2 3.88Å; L237-F244 HydrophobicContact CB-CE1 4.38Å; L237-F244 HydrophobicContact CB-CE2 4.32Å; L237-F244 HydrophobicContact CB-CG 3.66Å; L237-F244 HydrophobicContact CD1-CD1 4.03Å; L237-F244 HydrophobicContact CD1-CD2 4.39Å; L237-F244 HydrophobicContact CD1-CE1 3.65Å; L237-F244 HydrophobicContact CD1-CE2 4.03Å; L237-F244 HydrophobicContact CD1-CG 4.4Å; L237-F244 HydrophobicContact CD1-CZ 3.64Å; L237-L348 HydrophobicContact CD2-CD2 3.99Å; L237-L356 HydrophobicContact CD1-CD1 4.36Å
238	G	96.1	Very high	95.1	Very high	9 Å²	9	54.7 Å²	54.7	9%	0.093	29%	0.289	C	S	.	.	H	α-helix	trans	-62.1	-29.4	175.1	0	0	0	0	0	113	F234 M235 K236 T240 R245	F234-G238 PolarHBondContact O-N 3.2Å; M235-G238 PolarHBondContact O-N 3.41Å; K236-G238 VanDerWaalsContact C-N 3.34Å; G238-T240 VanDerWaalsContact C-N 3.27Å; G238-T240 PolarHBondContact O-N 3.29Å; G238-R245 WeakPolarHBondContact O-CG 3.29Å; G238-R245 PolarHBondContact O-NE 3.26Å
239	G	94.3	Very high	94.4	Very high	51 Å²	51	59.8 Å²	59.8	53%	0.526	31%	0.31	S	S	.	.	H	α-helix	trans	-58.7	-39.5	173.6	0	0	0	0	0	112.7	M235 K236 L237 R245	M235-G239 PolarHBondContact O-N 3.09Å; K236-G239 PolarHBondContact O-N 3.15Å; L237-G239 PolarHBondContact O-N 3.11Å; G239-R245 PolarHBondContact O-NH2 3.39Å
240	T	94.1	Very high	93.6	Very high	104 Å²	104	58.2 Å²	58.2	64%	0.638	30%	0.304	S	S	*	.	H	α-helix	trans	-109.7	-24.7	-170.4	48.6	0	0	0	0	114.2	L237 G238	L237-T240 PolarHBondContact O-N 3.36Å; L237-T240 VanDerWaalsContact O-N 3.16Å; L237-T240 PolarHBondContact O-OG1 3.24Å; G238-T240 VanDerWaalsContact C-N 3.27Å; G238-T240 PolarHBondContact O-N 3.29Å
241	H	95.2	Very high	92.7	Very high	49 Å²	49	67.1 Å²	67.1	23%	0.227	35%	0.345	C	S	.	.			trans	-126.5	115.6	-173.9	-59.3	-69.5	0	0	0	110.8	L237 P243 F244 P346	L237-H241 WeakPolarHBondContact O-CA 3.47Å; L237-H241 WeakPolarHBondContact O-CB 3.43Å; L237-H241 PolarHBondContact O-N 3.25Å; H241-P243 VanDerWaalsContact C-N 3.31Å; H241-F244 HydrophobicContact CB-CD2 4.14Å; H241-F244 PolarHBondContact O-N 2.99Å; H241-F244 VanDerWaalsContact O-N 3.16Å; H241-P346 WeakPolarHBondContact NE2-CB 3.38Å
242	S	94.7	Very high	92	Very high	82 Å²	82	70.5 Å²	70.5	57%	0.573	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-55.1	-32.7	-179.1	54.9	0	0	0	0	115.2	F244 R245	S242-F244 PolarHBondContact O-N 3.07Å; S242-F244 VanDerWaalsContact O-N 3.11Å; S242-R245 WeakPolarHBondContact O-CB 3.22Å; S242-R245 PolarHBondContact O-N 3.03Å; S242-R245 VanDerWaalsContact O-N 3.08Å
243	P	96.1	Very high	91.3	Very high	12 Å²	12	69.6 Å²	69.6	8%	0.078	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-65.2	-16.1	179.8	-24.4	37.3	0	0	0	115.4	H241 A259 V316 Q342 C344	H241-P243 VanDerWaalsContact C-N 3.31Å; P243-A259 VanDerWaalsContact O-CB 3.31Å; P243-A259 WeakPolarHBondContact O-CB 3.4Å; P243-V316 HydrophobicContact CB-CG1 3.74Å; P243-V316 HydrophobicContact CB-CG2 4.11Å; P243-Q342 HydrophobicContact CB-CB 4.04Å; P243-Q342 VanDerWaalsContact CB-OE1 3.28Å; P243-Q342 HydrophobicContact CG-CB 4.01Å; P243-C344 HydrophobicContact CG-CB 4.1Å
244	F	97.1	Very high	90.7	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-95.3	-7.9	177.4	-73.7	-92.7	0	0	0	113.3	F234 L237 H241 S242 A259 F260 L279 V316 V318 L356	F234-F244 HydrophobicContact CB-CD1 4.29Å; F234-F244 AromaticContact CD1-CD1 3.68Å; F234-F244 HydrophobicContact CD1-CD1 3.68Å; F234-F244 AromaticContact CD1-CE1 3.59Å; F234-F244 HydrophobicContact CD1-CE1 3.59Å; F234-F244 HydrophobicContact CE1-CD1 4.41Å; F234-F244 AromaticContact CE1-CE1 3.93Å; F234-F244 HydrophobicContact CE1-CE1 3.93Å; F234-F244 HydrophobicContact CG-CD1 4.3Å; L237-F244 HydrophobicContact CB-CB 4.02Å; L237-F244 HydrophobicContact CB-CD1 3.92Å; L237-F244 HydrophobicContact CB-CD2 3.88Å; L237-F244 HydrophobicContact CB-CE1 4.38Å; L237-F244 HydrophobicContact CB-CE2 4.32Å; L237-F244 HydrophobicContact CB-CG 3.66Å; L237-F244 HydrophobicContact CD1-CD1 4.03Å; L237-F244 HydrophobicContact CD1-CD2 4.39Å; L237-F244 HydrophobicContact CD1-CE1 3.65Å; L237-F244 HydrophobicContact CD1-CE2 4.03Å; L237-F244 HydrophobicContact CD1-CG 4.4Å; L237-F244 HydrophobicContact CD1-CZ 3.64Å; H241-F244 HydrophobicContact CB-CD2 4.14Å; H241-F244 PolarHBondContact O-N 2.99Å; H241-F244 VanDerWaalsContact O-N 3.16Å; S242-F244 PolarHBondContact O-N 3.07Å; S242-F244 VanDerWaalsContact O-N 3.11Å; F244-A259 PolarHBondContact O-N 3.3Å; F244-F260 HydrophobicContact CD1-CD2 4.05Å; F244-F260 AromaticContact CD1-CE2 3.53Å; F244-F260 HydrophobicContact CD1-CE2 3.53Å; F244-F260 HydrophobicContact CE1-CD2 4.38Å; F244-F260 AromaticContact CE1-CE2 3.68Å; F244-F260 HydrophobicContact CE1-CE2 3.68Å; F244-F260 HydrophobicContact CE1-CZ 4.43Å; F244-F260 HydrophobicContact CG-CE2 4.26Å; F244-L279 HydrophobicContact CZ-CD1 4.28Å; F244-V316 HydrophobicContact CE2-CG1 4.42Å; F244-V318 HydrophobicContact CE2-CG2 3.78Å; F244-V318 HydrophobicContact CZ-CG2 3.63Å; F244-L356 HydrophobicContact CZ-CD1 4.32Å
245	R	95.3	Very high	90.4	Very high	134 Å²	134	72.5 Å²	72.5	51%	0.506	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-73.7	150.1	179.2	-65.9	-177.2	-178.2	176.5	-1.3	111.3	G238 G239 S242 R247 A259	G238-R245 WeakPolarHBondContact O-CG 3.29Å; G238-R245 PolarHBondContact O-NE 3.26Å; G239-R245 PolarHBondContact O-NH2 3.39Å; S242-R245 WeakPolarHBondContact O-CB 3.22Å; S242-R245 PolarHBondContact O-N 3.03Å; S242-R245 VanDerWaalsContact O-N 3.08Å; R245-R247 PolarHBondContact O-N 3.17Å; R245-A259 WeakPolarHBondContact O-CB 3.31Å
246	A	91.7	Very high	90.2	Very high	37 Å²	37	73.9 Å²	73.9	31%	0.306	41%	0.406	S	S	.	.			trans	-54.7	135.2	172	0	0	0	0	0	110.6	R257	A246-R257 HydrophobicContact CB-CB 4.13Å; A246-R257 HydrophobicContact CB-CG 3.84Å
247	R	85.1	Confident	90.1	Very high	130 Å²	130	71 Å²	71	49%	0.491	39%	0.392	S	S	.	.	S	Bend	trans	-78.7	-24.4	175.9	-66.5	-178.8	176	-159.1	-8.6	112.4	R245 S314	R245-R247 PolarHBondContact O-N 3.17Å; R247-S314 VanDerWaalsContact NH1-CB 3.32Å; R247-S314 PolarHBondContact NH1-OG 2.79Å; R247-S314 VanDerWaalsContact NH1-OG 3.11Å; R247-S314 PolarHBondContact NH2-OG 3.46Å
248	S	83.3	Confident	90.1	Very high	73 Å²	73	70.7 Å²	70.7	51%	0.51	39%	0.391	S	S	.	.	S	Bend	trans	-142.4	146.8	179.4	54.6	0	0	0	0	109.8	R257	S248-R257 WeakPolarHBondContact O-CD 3.47Å
249	E	81.4	Confident	90.1	Very high	167 Å²	167	70.5 Å²	70.5	78%	0.78	39%	0.388	S	S	*	.			trans	-62.2	142.4	173.6	-67.1	-62.2	157.7	0	0	110.3	R257	E249-R257 PolarHBondContact O-NH1 2.93Å
250	P	81.5	Confident	90.2	Very high	22 Å²	22	68.1 Å²	68.1	14%	0.143	36%	0.363	C	S	.	.			trans	-66.3	149.8	172.4	27.6	-30.1	0	0	0	110.9	D252 T255	P250-D252 VanDerWaalsContact C-N 3.25Å; P250-D252 WeakPolarHBondContact CB-O 3.46Å; P250-D252 WeakPolarHBondContact CG-O 3.17Å; P250-D252 PolarHBondContact O-N 2.62Å; P250-T255 HydrophobicContact CB-CG2 4.07Å; P250-T255 WeakPolarHBondContact CG-O 3.46Å
251	E	79.3	Confident	90.4	Very high	197 Å²	197	63.2 Å²	63.2	92%	0.921	33%	0.333	S	S	*	.	S	Bend	trans	-64.2	-35.1	176.5	-65.4	-179	176.8	0	0	111.5
252	D	83.4	Confident	90.4	Very high	73 Å²	73	61.9 Å²	61.9	39%	0.39	33%	0.327	S	S	.	.	S	Bend	trans	-98.2	116.6	171	175.1	9.5	0	0	0	109.8	P250 A254 T255	P250-D252 VanDerWaalsContact C-N 3.25Å; P250-D252 WeakPolarHBondContact CB-O 3.46Å; P250-D252 WeakPolarHBondContact CG-O 3.17Å; P250-D252 PolarHBondContact O-N 2.62Å; D252-A254 PolarHBondContact O-N 3.34Å; D252-A254 WeakPolarHBondContact OD1-CB 3.44Å; D252-A254 PolarHBondContact OD1-N 2.85Å; D252-T255 WeakPolarHBondContact O-CB 3.12Å; D252-T255 PolarHBondContact O-N 3.2Å; D252-T255 PolarHBondContact OD2-OG1 3.48Å
253	P	82.8	Confident	90.4	Very high	127 Å²	127	60.2 Å²	60.2	83%	0.825	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-20.5	178.6	-23.3	33	0	0	0	114.6	T255	P253-T255 VanDerWaalsContact C-N 3.35Å
254	A	85.9	Confident	90.2	Very high	58 Å²	58	63.9 Å²	63.9	48%	0.479	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-13.1	177.7	0	0	0	0	0	112.9	D252 A265	D252-A254 PolarHBondContact O-N 3.34Å; D252-A254 WeakPolarHBondContact OD1-CB 3.44Å; D252-A254 PolarHBondContact OD1-N 2.85Å; A254-A265 HydrophobicContact CB-CB 3.39Å; A254-A265 WeakPolarHBondContact O-CB 3.26Å
255	T	90.4	Very high	89.6	Confident	12 Å²	12	66.6 Å²	66.6	7%	0.074	34%	0.343	C	S	.	.	S	Bend	trans	-76.8	126.4	179.9	-68.8	0	0	0	0	110.5	P250 D252 P253 E262 R263 Y264	P250-T255 HydrophobicContact CB-CG2 4.07Å; P250-T255 WeakPolarHBondContact CG-O 3.46Å; D252-T255 WeakPolarHBondContact O-CB 3.12Å; D252-T255 PolarHBondContact O-N 3.2Å; D252-T255 PolarHBondContact OD2-OG1 3.48Å; P253-T255 VanDerWaalsContact C-N 3.35Å; T255-E262 HydrophobicContact CG2-CB 4.13Å; T255-R263 WeakPolarHBondContact CA-O 3.21Å; T255-R263 WeakPolarHBondContact CG2-O 3.47Å; T255-Y264 HydrophobicContact CG2-CD1 4.47Å
256	E	92.9	Very high	88.9	Confident	95 Å²	95	64.2 Å²	64.2	44%	0.444	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	131.2	172.8	-63.8	-177.1	128.4	0	0	109.5	H231 M235 E262 R263	H231-E256 PolarHBondContact CE1-O 3.25Å; H231-E256 IonicContact NE2-OE2 3.4Å; M235-E256 HydrophobicContact CE-CB 4.18Å; E256-E262 CarbonylContact O-C 3.49Å; E256-E262 VanDerWaalsContact O-CA 3.25Å; E256-E262 WeakPolarHBondContact O-CA 3.3Å; E256-R263 HydrophobicContact CB-CB 4.31Å; E256-R263 PolarHBondContact N-O 3.17Å; E256-R263 VanDerWaalsContact N-O 3.07Å; E256-R263 PolarHBondContact O-N 3.46Å; E256-R263 WeakPolarHBondContact OE2-CD 3.45Å; E256-R263 IonicContact OE2-NE 3.51Å
257	R	95.4	Very high	88.7	Confident	52 Å²	52	66.5 Å²	66.5	20%	0.196	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	133.4	-177.1	-174.3	177.4	-84.5	178.8	-3.1	111.5	A246 S248 E249 E262 L273	A246-R257 HydrophobicContact CB-CB 4.13Å; A246-R257 HydrophobicContact CB-CG 3.84Å; S248-R257 WeakPolarHBondContact O-CD 3.47Å; E249-R257 PolarHBondContact O-NH1 2.93Å; R257-E262 HydrophobicContact CG-CB 4.41Å; R257-E262 IonicContact CZ-OE2 3.81Å; R257-E262 IonicContact NE-OE2 3.5Å; R257-E262 PolarHBondContact NE-OE2 3.05Å; R257-E262 IonicContact NH2-OE2 3.81Å; R257-E262 PolarHBondContact NH2-OE2 3.29Å; R257-L273 HydrophobicContact CG-CD1 4.18Å
258	S	96.1	Very high	88.9	Confident	1 Å²	1	62 Å²	62	1%	0.007	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-108.5	-178	167.3	76	0	0	0	0	110.4	F234 F260 T261 L273	F234-S258 WeakPolarHBondContact CB-OG 3.4Å; S258-F260 PolarHBondContact O-N 3.42Å; S258-F260 PolarHBondContact OG-N 3.29Å; S258-T261 PolarHBondContact N-O 3.15Å; S258-T261 PolarHBondContact OG-N 3.16Å; S258-T261 VanDerWaalsContact OG-N 3.09Å; S258-T261 PolarHBondContact OG-O 3.42Å; S258-T261 PolarHBondContact OG-OG1 3.28Å; S258-L273 WeakPolarHBondContact O-CD1 3.27Å
259	A	96.1	Very high	89.4	Confident	4 Å²	4	63.3 Å²	63.3	3%	0.033	37%	0.369	C	S	.	.	S	Bend	trans	-60.1	-23.1	171.7	0	0	0	0	0	113.4	P243 F244 R245 P277	P243-A259 VanDerWaalsContact O-CB 3.31Å; P243-A259 WeakPolarHBondContact O-CB 3.4Å; F244-A259 PolarHBondContact O-N 3.3Å; R245-A259 WeakPolarHBondContact O-CB 3.31Å; A259-P277 HydrophobicContact CB-CG 4.48Å; A259-P277 VanDerWaalsContact O-CD 3.29Å; A259-P277 WeakPolarHBondContact O-CD 3.35Å
260	F	97.3	Very high	90.1	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.009	34%	0.337	C	S	.	.	S	Bend	trans	-117.1	-28.6	-168.6	-57.3	-84.7	0	0	0	114.4	F234 F244 S258 L273 R276 P277 L279 V316	F234-F260 HydrophobicContact CD1-CD2 4.12Å; F234-F260 HydrophobicContact CD2-CB 3.71Å; F234-F260 HydrophobicContact CD2-CD2 4.05Å; F234-F260 HydrophobicContact CD2-CG 4.22Å; F234-F260 HydrophobicContact CE1-CD2 4.24Å; F234-F260 HydrophobicContact CE2-CB 3.58Å; F234-F260 HydrophobicContact CE2-CD2 4.17Å; F234-F260 HydrophobicContact CE2-CG 4.02Å; F234-F260 HydrophobicContact CG-CB 4.49Å; F234-F260 HydrophobicContact CG-CD2 4.01Å; F234-F260 HydrophobicContact CZ-CB 4.27Å; F234-F260 HydrophobicContact CZ-CD2 4.23Å; F234-F260 HydrophobicContact CZ-CG 4.24Å; F244-F260 HydrophobicContact CD1-CD2 4.05Å; F244-F260 AromaticContact CD1-CE2 3.53Å; F244-F260 HydrophobicContact CD1-CE2 3.53Å; F244-F260 HydrophobicContact CE1-CD2 4.38Å; F244-F260 AromaticContact CE1-CE2 3.68Å; F244-F260 HydrophobicContact CE1-CE2 3.68Å; F244-F260 HydrophobicContact CE1-CZ 4.43Å; F244-F260 HydrophobicContact CG-CE2 4.26Å; S258-F260 PolarHBondContact O-N 3.42Å; S258-F260 PolarHBondContact OG-N 3.29Å; F260-L273 PolarHBondContact O-N 2.88Å; F260-R276 HydrophobicContact CD1-CB 4.43Å; F260-P277 HydrophobicContact CD1-CG 4.17Å; F260-P277 WeakPolarHBondContact CD1-O 3.38Å; F260-P277 HydrophobicContact CE1-CB 4.42Å; F260-P277 HydrophobicContact CE1-CG 3.7Å; F260-P277 WeakPolarHBondContact CE1-O 3.45Å; F260-P277 HydrophobicContact CZ-CG 4.12Å; F260-L279 HydrophobicContact CE1-CB 3.81Å; F260-L279 HydrophobicContact CE1-CD1 4.49Å; F260-L279 HydrophobicContact CZ-CB 4.2Å; F260-L279 HydrophobicContact CZ-CD1 4.01Å; F260-L279 HydrophobicContact CZ-CG 4.47Å; F260-V316 HydrophobicContact CE1-CG2 4.5Å; F260-V316 HydrophobicContact CZ-CB 3.83Å; F260-V316 HydrophobicContact CZ-CG1 4.12Å; F260-V316 HydrophobicContact CZ-CG2 3.85Å
261	T	96.8	Very high	90.8	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.006	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	155.5	-167.8	56.3	0	0	0	0	111.6	L227 H231 F234 S258 T271	L227-T261 HydrophobicContact CD1-CG2 3.95Å; H231-T261 PolarHBondContact ND1-OG1 3.32Å; F234-T261 HydrophobicContact CD2-CG2 3.92Å; F234-T261 HydrophobicContact CE2-CG2 3.98Å; S258-T261 PolarHBondContact N-O 3.15Å; S258-T261 PolarHBondContact OG-N 3.16Å; S258-T261 VanDerWaalsContact OG-N 3.09Å; S258-T261 PolarHBondContact OG-O 3.42Å; S258-T261 PolarHBondContact OG-OG1 3.28Å; T261-T271 VanDerWaalsContact CA-O 3.25Å; T261-T271 WeakPolarHBondContact CA-O 3.29Å; T261-T271 WeakPolarHBondContact CB-O 3.42Å
262	E	95.6	Very high	91.6	Very high	20 Å²	20	54 Å²	54	9%	0.093	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	150.9	170.6	62.3	-173.1	-172	0	0	111.6	T255 E256 R257 Y264 V270 T271 L273	T255-E262 HydrophobicContact CG2-CB 4.13Å; E256-E262 CarbonylContact O-C 3.49Å; E256-E262 VanDerWaalsContact O-CA 3.25Å; E256-E262 WeakPolarHBondContact O-CA 3.3Å; R257-E262 HydrophobicContact CG-CB 4.41Å; R257-E262 IonicContact CZ-OE2 3.81Å; R257-E262 IonicContact NE-OE2 3.5Å; R257-E262 PolarHBondContact NE-OE2 3.05Å; R257-E262 IonicContact NH2-OE2 3.81Å; R257-E262 PolarHBondContact NH2-OE2 3.29Å; E262-Y264 VanDerWaalsContact OE1-CZ 3.27Å; E262-Y264 PolarHBondContact OE1-OH 2.84Å; E262-V270 CarbonylContact O-C 3.44Å; E262-V270 VanDerWaalsContact O-CA 3.29Å; E262-V270 WeakPolarHBondContact O-CA 3.38Å; E262-T271 VanDerWaalsContact CG-OG1 3.29Å; E262-T271 WeakPolarHBondContact CG-OG1 3.36Å; E262-T271 PolarHBondContact N-O 2.9Å; E262-T271 PolarHBondContact O-N 3.02Å; E262-L273 HydrophobicContact CB-CD2 4.05Å; E262-L273 HydrophobicContact CG-CD2 3.86Å; E262-L273 VanDerWaalsContact OE2-CD2 3.31Å; E262-L273 WeakPolarHBondContact OE2-CD2 3.33Å
263	R	95.3	Very high	92.1	Very high	47 Å²	47	52.1 Å²	52.1	18%	0.177	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	115.1	175.8	179.6	-170.5	-64.2	-84	0.7	109.2	T255 E256 G268 L269 V270	T255-R263 WeakPolarHBondContact CA-O 3.21Å; T255-R263 WeakPolarHBondContact CG2-O 3.47Å; E256-R263 HydrophobicContact CB-CB 4.31Å; E256-R263 PolarHBondContact N-O 3.17Å; E256-R263 VanDerWaalsContact N-O 3.07Å; E256-R263 PolarHBondContact O-N 3.46Å; E256-R263 WeakPolarHBondContact OE2-CD 3.45Å; E256-R263 IonicContact OE2-NE 3.51Å; R263-G268 PolarHBondContact NH1-O 2.87Å; R263-G268 VanDerWaalsContact NH1-O 3.15Å; R263-L269 WeakPolarHBondContact CA-O 3.38Å; R263-V270 HydrophobicContact CB-CG2 4.15Å; R263-V270 HydrophobicContact CG-CG2 4.09Å; R263-V270 VanDerWaalsContact CZ-CG2 3.41Å
264	Y	92.2	Very high	92.3	Very high	89 Å²	89	57.1 Å²	57.1	35%	0.349	31%	0.314	S	S	.	.			trans	-74	131	179.6	-58.5	-74.5	0	0	0	111.4	T255 E262 G266 G268 L269 T271	T255-Y264 HydrophobicContact CG2-CD1 4.47Å; E262-Y264 VanDerWaalsContact OE1-CZ 3.27Å; E262-Y264 PolarHBondContact OE1-OH 2.84Å; Y264-G266 PolarHBondContact O-N 2.98Å; Y264-G268 VanDerWaalsContact O-CA 3.31Å; Y264-G268 WeakPolarHBondContact O-CA 3.24Å; Y264-G268 PolarHBondContact O-N 2.61Å; Y264-L269 HydrophobicContact CD2-CB 4.38Å; Y264-L269 WeakPolarHBondContact CD2-O 3.26Å; Y264-L269 PolarHBondContact N-O 2.97Å; Y264-L269 VanDerWaalsContact N-O 3.13Å; Y264-T271 HydrophobicContact CE2-CG2 3.99Å
265	A	83.8	Confident	92.5	Very high	57 Å²	57	63.2 Å²	63.2	47%	0.471	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-41.9	-175.7	0	0	0	0	0	113.8	A254	A254-A265 HydrophobicContact CB-CB 3.39Å; A254-A265 WeakPolarHBondContact O-CB 3.26Å
266	G	81.4	Confident	92.7	Very high	84 Å²	84	63.9 Å²	63.9	87%	0.866	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-31.7	-173.7	0	0	0	0	0	114.6	Y264	Y264-G266 PolarHBondContact O-N 2.98Å
267	S	86.6	Confident	92.9	Very high	85 Å²	85	59.4 Å²	59.4	59%	0.594	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	-18.1	-175.9	63.8	0	0	0	0	113.7	L269	S267-L269 PolarHBondContact O-N 3.09Å; S267-L269 VanDerWaalsContact O-N 3.14Å; S267-L269 VanDerWaalsContact OG-CB 3.32Å; S267-L269 WeakPolarHBondContact OG-CB 3.45Å; S267-L269 PolarHBondContact OG-N 2.71Å
268	G	89.4	Confident	93	Very high	35 Å²	35	57 Å²	57	36%	0.361	30%	0.303	S	S	.	.			trans	66.7	3.2	-170.2	0	0	0	0	0	114.1	R263 Y264 V270	R263-G268 PolarHBondContact NH1-O 2.87Å; R263-G268 VanDerWaalsContact NH1-O 3.15Å; Y264-G268 VanDerWaalsContact O-CA 3.31Å; Y264-G268 WeakPolarHBondContact O-CA 3.24Å; Y264-G268 PolarHBondContact O-N 2.61Å; G268-V270 PolarHBondContact O-N 2.85Å
269	L	94.3	Very high	93.2	Very high	102 Å²	102	56.9 Å²	56.9	53%	0.534	30%	0.303	S	S	.	.			trans	-66.3	130.7	-179.2	-179.1	67	0	0	0	109.7	R263 Y264 S267 T271	R263-L269 WeakPolarHBondContact CA-O 3.38Å; Y264-L269 HydrophobicContact CD2-CB 4.38Å; Y264-L269 WeakPolarHBondContact CD2-O 3.26Å; Y264-L269 PolarHBondContact N-O 2.97Å; Y264-L269 VanDerWaalsContact N-O 3.13Å; S267-L269 PolarHBondContact O-N 3.09Å; S267-L269 VanDerWaalsContact O-N 3.14Å; S267-L269 VanDerWaalsContact OG-CB 3.32Å; S267-L269 WeakPolarHBondContact OG-CB 3.45Å; S267-L269 PolarHBondContact OG-N 2.71Å; L269-T271 HydrophobicContact CD2-CG2 4.22Å; L269-T271 HydrophobicContact CG-CG2 4.23Å
270	V	96.6	Very high	93.3	Very high	16 Å²	16	56.7 Å²	56.7	10%	0.097	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130.9	175.9	-175	0	0	0	0	109.3	L227 D228 H231 E262 R263 G268	L227-V270 HydrophobicContact CD2-CG1 4.3Å; L227-V270 VanDerWaalsContact CD2-O 3.26Å; L227-V270 WeakPolarHBondContact CD2-O 3.23Å; L227-V270 HydrophobicContact CG-CB 4.34Å; L227-V270 HydrophobicContact CG-CG1 3.83Å; D228-V270 HydrophobicContact CB-CG2 4.48Å; H231-V270 HydrophobicContact CB-CG1 3.58Å; H231-V270 HydrophobicContact CB-CG2 4.43Å; E262-V270 CarbonylContact O-C 3.44Å; E262-V270 VanDerWaalsContact O-CA 3.29Å; E262-V270 WeakPolarHBondContact O-CA 3.38Å; R263-V270 HydrophobicContact CB-CG2 4.15Å; R263-V270 HydrophobicContact CG-CG2 4.09Å; R263-V270 VanDerWaalsContact CZ-CG2 3.41Å; G268-V270 PolarHBondContact O-N 2.85Å
271	T	96.2	Very high	93.3	Very high	38 Å²	38	56.6 Å²	56.6	23%	0.233	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	156.5	176.2	57.2	0	0	0	0	110.6	T261 E262 Y264 L269	T261-T271 VanDerWaalsContact CA-O 3.25Å; T261-T271 WeakPolarHBondContact CA-O 3.29Å; T261-T271 WeakPolarHBondContact CB-O 3.42Å; E262-T271 VanDerWaalsContact CG-OG1 3.29Å; E262-T271 WeakPolarHBondContact CG-OG1 3.36Å; E262-T271 PolarHBondContact N-O 2.9Å; E262-T271 PolarHBondContact O-N 3.02Å; Y264-T271 HydrophobicContact CE2-CG2 3.99Å; L269-T271 HydrophobicContact CD2-CG2 4.22Å; L269-T271 HydrophobicContact CG-CG2 4.23Å
272	R	95.4	Very high	93.4	Very high	137 Å²	137	56.6 Å²	56.6	52%	0.517	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	139.2	169.7	-67.4	-178.1	178.1	134.1	1.1	109.1	L227	L227-R272 HydrophobicContact CD1-CG 3.68Å; L227-R272 HydrophobicContact CD2-CG 4.43Å
273	L	94	Very high	93.3	Very high	33 Å²	33	56 Å²	56	17%	0.173	30%	0.299	C	S	.	.			trans	-68.8	139.4	173.4	-63	174.4	0	0	0	109.8	R257 S258 F260 E262 E275 R276	R257-L273 HydrophobicContact CG-CD1 4.18Å; S258-L273 WeakPolarHBondContact O-CD1 3.27Å; F260-L273 PolarHBondContact O-N 2.88Å; E262-L273 HydrophobicContact CB-CD2 4.05Å; E262-L273 HydrophobicContact CG-CD2 3.86Å; E262-L273 VanDerWaalsContact OE2-CD2 3.31Å; E262-L273 WeakPolarHBondContact OE2-CD2 3.33Å; L273-E275 PolarHBondContact O-N 3.42Å; L273-R276 HydrophobicContact CB-CB 4.14Å; L273-R276 WeakPolarHBondContact O-CG 3.43Å; L273-R276 PolarHBondContact O-N 2.86Å
274	R	87.4	Confident	93.1	Very high	232 Å²	232	54 Å²	54	88%	0.875	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-43.8	-177.7	-71.1	-176.1	177.5	171.5	0.1	112.7
275	E	88.9	Confident	92.9	Very high	186 Å²	186	52.1 Å²	52.1	87%	0.869	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	31.7	-178.6	-60.2	-175.9	169.1	0	0	112.1	L273	L273-E275 PolarHBondContact O-N 3.42Å
276	R	95.1	Very high	93.4	Very high	26 Å²	26	49.4 Å²	49.4	10%	0.098	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-61.8	149.6	176.2	67.1	178	-171.4	87	-8.9	110.9	F260 L273 D361	F260-R276 HydrophobicContact CD1-CB 4.43Å; L273-R276 HydrophobicContact CB-CB 4.14Å; L273-R276 WeakPolarHBondContact O-CG 3.43Å; L273-R276 PolarHBondContact O-N 2.86Å; R276-D361 IonicContact CZ-OD1 3.56Å; R276-D361 IonicContact CZ-OD2 3.56Å; R276-D361 IonicContact NH1-OD1 2.87Å; R276-D361 IonicContact NH1-OD2 3.58Å; R276-D361 PolarHBondContact NH1-OD2 2.72Å; R276-D361 IonicContact NH2-OD1 2.61Å; R276-D361 PolarHBondContact NH2-OD1 3.49Å; R276-D361 IonicContact NH2-OD2 2.73Å; R276-D361 PolarHBondContact NH2-OD2 3.29Å
277	P	97.1	Very high	93.8	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-63.7	155.7	166.3	27.4	-30.6	0	0	0	111.3	A259 F260 S314 V316	A259-P277 HydrophobicContact CB-CG 4.48Å; A259-P277 VanDerWaalsContact O-CD 3.29Å; A259-P277 WeakPolarHBondContact O-CD 3.35Å; F260-P277 HydrophobicContact CD1-CG 4.17Å; F260-P277 WeakPolarHBondContact CD1-O 3.38Å; F260-P277 HydrophobicContact CE1-CB 4.42Å; F260-P277 HydrophobicContact CE1-CG 3.7Å; F260-P277 WeakPolarHBondContact CE1-O 3.45Å; F260-P277 HydrophobicContact CZ-CG 4.12Å; P277-S314 CarbonylContact C-O 3.56Å; P277-S314 WeakPolarHBondContact CA-O 3.35Å; P277-S314 WeakPolarHBondContact CB-O 3.26Å; P277-V316 HydrophobicContact CB-CG2 4Å; P277-V316 HydrophobicContact CG-CG2 3.82Å
278	A	98	Very high	93.8	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	140.1	166.1	0	0	0	0	0	110.2	P313 S314 V316 F424 F427	A278-P313 HydrophobicContact CB-CG 3.93Å; A278-S314 PolarHBondContact N-O 3.33Å; A278-V316 PolarHBondContact O-N 3.39Å; A278-F424 HydrophobicContact CB-CD1 3.69Å; A278-F424 HydrophobicContact CB-CE1 3.47Å; A278-F424 VanDerWaalsContact CB-CE1 3.47Å; A278-F424 HydrophobicContact CB-CG 4.39Å; A278-F424 HydrophobicContact CB-CZ 3.98Å; A278-F427 HydrophobicContact CB-CD1 4.16Å; A278-F427 HydrophobicContact CB-CE1 3.86Å; A278-F427 HydrophobicContact CB-CE2 4.48Å; A278-F427 HydrophobicContact CB-CZ 4.02Å
279	L	98.6	Very high	93.7	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	105.1	179.2	-179.1	55.5	0	0	0	110.3	F234 F244 F260 V281 V316 V318 L356 A360 D361 L362	F234-L279 HydrophobicContact CE1-CD2 3.78Å; F234-L279 HydrophobicContact CZ-CD2 3.96Å; F244-L279 HydrophobicContact CZ-CD1 4.28Å; F260-L279 HydrophobicContact CE1-CB 3.81Å; F260-L279 HydrophobicContact CE1-CD1 4.49Å; F260-L279 HydrophobicContact CZ-CB 4.2Å; F260-L279 HydrophobicContact CZ-CD1 4.01Å; F260-L279 HydrophobicContact CZ-CG 4.47Å; L279-V281 HydrophobicContact CD1-CG2 4.41Å; L279-V281 HydrophobicContact CG-CG2 4.31Å; L279-V316 HydrophobicContact CD1-CB 4.4Å; L279-V316 HydrophobicContact CD1-CG1 4.16Å; L279-V318 HydrophobicContact CD1-CG2 3.95Å; L279-L356 HydrophobicContact CD2-CD1 4.21Å; L279-A360 HydrophobicContact CD2-CB 4.33Å; L279-A360 HydrophobicContact CG-CB 4.15Å; L279-D361 PolarHBondContact N-OD2 2.96Å; L279-D361 WeakPolarHBondContact O-CB 3.31Å; L279-D361 PolarHBondContact O-N 3.46Å; L279-L362 PolarHBondContact O-N 3.2Å
280	L	98.6	Very high	93.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	133.3	174.8	-169.1	70.3	0	0	0	109.3	L295 L299 L315 V316 C317 V318 L362 V364 L420 F424	L280-L295 HydrophobicContact CD2-CD1 4.1Å; L280-L299 HydrophobicContact CD2-CD2 4.12Å; L280-L315 HydrophobicContact CB-CD1 4.33Å; L280-L315 HydrophobicContact CB-CD2 3.96Å; L280-L315 HydrophobicContact CB-CG 4.27Å; L280-L315 HydrophobicContact CD2-CD1 4.38Å; L280-L315 HydrophobicContact CD2-CD2 4.07Å; L280-V316 PolarHBondContact N-O 2.8Å; L280-C317 HydrophobicContact CB-CB 4.4Å; L280-C317 HydrophobicContact CD2-CB 4.37Å; L280-C317 CarbonylContact O-C 3.5Å; L280-C317 WeakPolarHBondContact O-CA 3.08Å; L280-V318 PolarHBondContact O-N 3.39Å; L280-L362 WeakPolarHBondContact CA-O 3.4Å; L280-L362 HydrophobicContact CD1-CB 3.71Å; L280-L362 HydrophobicContact CD1-CD2 3.63Å; L280-L362 HydrophobicContact CD1-CG 3.71Å; L280-V364 HydrophobicContact CD1-CG2 3.59Å; L280-V364 HydrophobicContact CD2-CG2 4.11Å; L280-V364 HydrophobicContact CG-CG2 4.01Å; L280-L420 HydrophobicContact CD1-CD2 4.13Å; L280-L420 HydrophobicContact CD2-CD2 4.39Å; L280-F424 HydrophobicContact CD1-CE2 4.46Å
281	V	98.5	Very high	93.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	134.6	177.6	178.8	0	0	0	0	111.2	L279 V318 L356 L357 A360 L362 G363 V364	L279-V281 HydrophobicContact CD1-CG2 4.41Å; L279-V281 HydrophobicContact CG-CG2 4.31Å; V281-V318 CarbonylContact C-O 3.36Å; V281-V318 WeakPolarHBondContact CA-O 3.31Å; V281-V318 HydrophobicContact CG2-CB 4.26Å; V281-L356 HydrophobicContact CG1-CD2 4.26Å; V281-L356 HydrophobicContact CG2-CD1 4.47Å; V281-L356 HydrophobicContact CG2-CD2 4.17Å; V281-L356 HydrophobicContact CG2-CG 4.09Å; V281-L357 HydrophobicContact CG1-CD2 3.87Å; V281-A360 HydrophobicContact CB-CB 4.16Å; V281-A360 HydrophobicContact CG2-CB 3.48Å; V281-A360 VanDerWaalsContact CG2-CB 3.48Å; V281-L362 PolarHBondContact N-O 2.66Å; V281-G363 CarbonylContact O-C 3.55Å; V281-G363 VanDerWaalsContact O-CA 3.28Å; V281-G363 WeakPolarHBondContact O-CA 3.47Å; V281-V364 PolarHBondContact O-N 2.88Å
282	S	97.5	Very high	93.5	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.007	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	118.8	165.7	-169	0	0	0	0	109.3	F292 V318 I319 T320 V364	S282-F292 WeakPolarHBondContact OG-CZ 3.49Å; S282-V318 PolarHBondContact N-O 3.38Å; S282-I319 CarbonylContact O-C 3.48Å; S282-I319 VanDerWaalsContact O-CA 3.27Å; S282-I319 WeakPolarHBondContact O-CA 3.29Å; S282-T320 PolarHBondContact O-N 3.3Å; S282-V364 WeakPolarHBondContact CB-O 3.36Å; S282-V364 PolarHBondContact OG-O 2.77Å
283	S	93.4	Very high	93.5	Very high	6 Å²	6	41.8 Å²	41.8	4%	0.042	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	143	168.2	49.9	0	0	0	0	109.5	T320 Y353 K378 M382	S283-T320 CarbonylContact C-O 3.55Å; S283-T320 WeakPolarHBondContact CA-O 3.43Å; S283-Y353 WeakPolarHBondContact CB-OH 3.32Å; S283-Y353 PolarHBondContact OG-OH 2.87Å; S283-Y353 VanDerWaalsContact OG-OH 3.14Å; S283-K378 VanDerWaalsContact O-CD 3.29Å; S283-K378 WeakPolarHBondContact O-CD 3.38Å; S283-K378 WeakPolarHBondContact OG-CB 3.38Å; S283-M382 WeakPolarHBondContact OG-CE 3.41Å
284	T	91.8	Very high	93.7	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.031	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	152.5	-172.4	172.4	0	0	0	0	112.6	W286 E290 F292 I319 T320 G321	T284-W286 HydrophobicContact CG2-CD2 3.71Å; T284-W286 VanDerWaalsContact CG2-CE2 3.45Å; T284-W286 HydrophobicContact CG2-CE3 4.25Å; T284-W286 HydrophobicContact CG2-CG 4.03Å; T284-W286 HydrophobicContact CG2-CH2 4.42Å; T284-W286 HydrophobicContact CG2-CZ2 3.88Å; T284-W286 WeakPolarHBondContact OG1-CA 3.45Å; T284-W286 PolarHBondContact OG1-N 3.32Å; T284-E290 WeakPolarHBondContact CA-OE1 3.39Å; T284-E290 WeakPolarHBondContact CB-OE2 3.32Å; T284-E290 PolarHBondContact OG1-OE2 2.98Å; T284-F292 HydrophobicContact CG2-CE2 3.95Å; T284-F292 HydrophobicContact CG2-CZ 3.76Å; T284-F292 VanDerWaalsContact OG1-CE2 3.26Å; T284-F292 WeakPolarHBondContact OG1-CE2 3.47Å; T284-I319 HydrophobicContact CG2-CG2 3.56Å; T284-T320 WeakPolarHBondContact CG2-O 3.47Å; T284-T320 PolarHBondContact N-O 3.17Å; T284-G321 VanDerWaalsContact O-CA 3.31Å; T284-G321 WeakPolarHBondContact O-CA 3.24Å
285	S	89.4	Confident	94.2	Very high	50 Å²	50	30.8 Å²	30.8	35%	0.35	16%	0.162	S	C	.	.			trans	-96.4	2.1	169	-61	0	0	0	0	111.8	T287 E290 K322 G323 K378	S285-T287 VanDerWaalsContact C-N 3.25Å; S285-T287 PolarHBondContact O-N 3.29Å; S285-E290 PolarHBondContact N-OE2 3.04Å; S285-K322 CarbonylContact O-C 3.31Å; S285-K322 VanDerWaalsContact O-O 3.13Å; S285-G323 VanDerWaalsContact O-CA 3.23Å; S285-G323 WeakPolarHBondContact O-CA 3.46Å; S285-K378 PolarHBondContact OG-NZ 2.89Å
286	W	92.6	Very high	94.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.122	C	C	.	.			trans	48.4	45.6	-176.2	-59.3	100	0	0	0	112.7	T284 E290 F292 I319 G321 P324 L325 R326 Y329 T345	T284-W286 HydrophobicContact CG2-CD2 3.71Å; T284-W286 VanDerWaalsContact CG2-CE2 3.45Å; T284-W286 HydrophobicContact CG2-CE3 4.25Å; T284-W286 HydrophobicContact CG2-CG 4.03Å; T284-W286 HydrophobicContact CG2-CH2 4.42Å; T284-W286 HydrophobicContact CG2-CZ2 3.88Å; T284-W286 WeakPolarHBondContact OG1-CA 3.45Å; T284-W286 PolarHBondContact OG1-N 3.32Å; W286-E290 PolarHBondContact N-OE2 2.87Å; W286-F292 HydrophobicContact CE3-CD2 4.38Å; W286-F292 HydrophobicContact CZ3-CD2 4.21Å; W286-F292 HydrophobicContact CZ3-CE2 4.48Å; W286-F292 HydrophobicContact CZ3-CG 4.32Å; W286-I319 HydrophobicContact CH2-CB 4.12Å; W286-I319 HydrophobicContact CH2-CG2 3.37Å; W286-I319 HydrophobicContact CZ2-CB 4.24Å; W286-I319 HydrophobicContact CZ2-CG2 3.47Å; W286-I319 VanDerWaalsContact CZ2-CG2 3.47Å; W286-I319 HydrophobicContact CZ3-CG2 4.17Å; W286-G321 PolarHBondContact NE1-O 3.04Å; W286-G321 VanDerWaalsContact NE1-O 3.11Å; W286-P324 WeakPolarHBondContact O-CD 3.49Å; W286-P324 WeakPolarHBondContact O-CG 3.26Å; W286-L325 HydrophobicContact CB-CB 4.34Å; W286-L325 VanDerWaalsContact O-CB 3.29Å; W286-L325 WeakPolarHBondContact O-CB 3.19Å; W286-L325 WeakPolarHBondContact O-CG 2.98Å; W286-L325 PolarHBondContact O-N 3.42Å; W286-R326 HydrophobicContact CB-CB 4.27Å; W286-R326 HydrophobicContact CD2-CB 3.83Å; W286-R326 HydrophobicContact CD2-CG 4.16Å; W286-R326 HydrophobicContact CG-CB 3.73Å; W286-R326 HydrophobicContact CG-CG 4.38Å; W286-R326 HydrophobicContact CZ2-CG 4.06Å; W286-Y329 AromaticContact CE3-CD2 3.73Å; W286-Y329 HydrophobicContact CE3-CD2 3.73Å; W286-Y329 HydrophobicContact CE3-CG 4.29Å; W286-Y329 VanDerWaalsContact CZ3-CB 3.43Å; W286-Y329 AromaticContact CZ3-CD2 3.79Å; W286-Y329 HydrophobicContact CZ3-CD2 3.79Å; W286-Y329 AromaticContact CZ3-CG 3.88Å; W286-Y329 HydrophobicContact CZ3-CG 3.88Å; W286-T345 HydrophobicContact CH2-CG2 4.19Å; W286-T345 HydrophobicContact CZ2-CG2 4.12Å
287	T	90.6	Very high	94.8	Very high	40 Å²	40	22.1 Å²	22.1	25%	0.245	13%	0.127	C	C	.	.	S	Bend	trans	-110.6	168.3	-179.8	45.2	0	0	0	0	111.2	S285 D289 E290 P324	S285-T287 VanDerWaalsContact C-N 3.25Å; S285-T287 PolarHBondContact O-N 3.29Å; T287-D289 WeakPolarHBondContact CB-OD1 3.49Å; T287-D289 PolarHBondContact O-N 3.25Å; T287-D289 PolarHBondContact OG1-OD1 2.89Å; T287-E290 PolarHBondContact O-N 2.99Å; T287-E290 VanDerWaalsContact O-N 3.13Å; T287-P324 HydrophobicContact CG2-CG 4.43Å
288	E	86.8	Confident	94.9	Very high	143 Å²	143	22.1 Å²	22.1	67%	0.668	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-20	-172	-64.5	176.1	171.5	0	0	114	E290 L325	E288-E290 PolarHBondContact O-N 2.8Å; E288-L325 HydrophobicContact CG-CD1 4.27Å
289	D	86.5	Confident	94.9	Very high	33 Å²	33	22.1 Å²	22.1	18%	0.176	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-0.7	175.5	55.7	-63.3	0	0	0	114.3	T287 H367 T368	T287-D289 WeakPolarHBondContact CB-OD1 3.49Å; T287-D289 PolarHBondContact O-N 3.25Å; T287-D289 PolarHBondContact OG1-OD1 2.89Å; D289-H367 IonicContact OD2-CE1 3.68Å; D289-H367 PolarHBondContact OD2-CE1 2.95Å; D289-H367 IonicContact OD2-CG 3.88Å; D289-H367 IonicContact OD2-ND1 3.54Å; D289-H367 PolarHBondContact OD2-ND1 2.62Å; D289-T368 PolarHBondContact O-N 2.89Å; D289-T368 PolarHBondContact O-OG1 3.22Å; D289-T368 VanDerWaalsContact O-OG1 3.14Å
290	E	91.3	Very high	94.9	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.009	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-125	91	177.8	-67.3	175.3	137.3	0	0	110.5	T284 S285 W286 T287 E288 F292 L366 H367 K378	T284-E290 WeakPolarHBondContact CA-OE1 3.39Å; T284-E290 WeakPolarHBondContact CB-OE2 3.32Å; T284-E290 PolarHBondContact OG1-OE2 2.98Å; S285-E290 PolarHBondContact N-OE2 3.04Å; W286-E290 PolarHBondContact N-OE2 2.87Å; T287-E290 PolarHBondContact O-N 2.99Å; T287-E290 VanDerWaalsContact O-N 3.13Å; E288-E290 PolarHBondContact O-N 2.8Å; E290-F292 HydrophobicContact CB-CD2 4.39Å; E290-F292 HydrophobicContact CB-CE2 4.08Å; E290-F292 PolarHBondContact O-N 3.07Å; E290-L366 HydrophobicContact CB-CB 4.48Å; E290-H367 HydrophobicContact CG-CB 3.93Å; E290-K378 IonicContact OE1-NZ 3.84Å; E290-K378 PolarHBondContact OE1-NZ 2.84Å; E290-K378 IonicContact OE2-NZ 3.75Å
291	D	94.8	Very high	94.8	Very high	64 Å²	64	28.3 Å²	28.3	34%	0.342	16%	0.155	S	C	.	.			trans	-84.1	96	179.5	-173.3	12.2	0	0	0	113	S293 I294 Y329	D291-S293 PolarHBondContact O-N 3.25Å; D291-S293 WeakPolarHBondContact OD1-CB 3.34Å; D291-S293 PolarHBondContact OD1-N 3.03Å; D291-S293 PolarHBondContact OD1-OG 3.31Å; D291-S293 PolarHBondContact OD2-OG 3.17Å; D291-I294 HydrophobicContact CB-CD1 4.34Å; D291-I294 PolarHBondContact O-N 3.4Å; D291-Y329 PolarHBondContact OD1-OH 3.44Å
292	F	96.4	Very high	94.8	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.009	16%	0.155	C	C	.	.	H	α-helix	trans	-68.7	-10.3	176	-84.1	-92.4	0	0	0	114.7	S282 T284 W286 E290 I294 L295 L296 I319 Y329 L366	S282-F292 WeakPolarHBondContact OG-CZ 3.49Å; T284-F292 HydrophobicContact CG2-CE2 3.95Å; T284-F292 HydrophobicContact CG2-CZ 3.76Å; T284-F292 VanDerWaalsContact OG1-CE2 3.26Å; T284-F292 WeakPolarHBondContact OG1-CE2 3.47Å; W286-F292 HydrophobicContact CE3-CD2 4.38Å; W286-F292 HydrophobicContact CZ3-CD2 4.21Å; W286-F292 HydrophobicContact CZ3-CE2 4.48Å; W286-F292 HydrophobicContact CZ3-CG 4.32Å; E290-F292 HydrophobicContact CB-CD2 4.39Å; E290-F292 HydrophobicContact CB-CE2 4.08Å; E290-F292 PolarHBondContact O-N 3.07Å; F292-I294 PolarHBondContact O-N 2.9Å; F292-L295 HydrophobicContact CD1-CB 4.48Å; F292-L295 HydrophobicContact CD1-CD2 3.95Å; F292-L295 HydrophobicContact CE1-CD2 3.92Å; F292-L295 PolarHBondContact O-N 3.31Å; F292-L296 VanDerWaalsContact O-CG 3.32Å; F292-L296 WeakPolarHBondContact O-CG 3.38Å; F292-L296 PolarHBondContact O-N 3.11Å; F292-I319 HydrophobicContact CD1-CD1 3.79Å; F292-I319 HydrophobicContact CD1-CG1 4.44Å; F292-I319 HydrophobicContact CD1-CG2 4.15Å; F292-I319 HydrophobicContact CE1-CB 4.3Å; F292-I319 HydrophobicContact CE1-CD1 3.83Å; F292-I319 HydrophobicContact CE1-CG1 3.97Å; F292-I319 HydrophobicContact CE1-CG2 3.36Å; F292-I319 HydrophobicContact CZ-CG2 3.6Å; F292-Y329 HydrophobicContact CB-CD1 3.52Å; F292-Y329 HydrophobicContact CB-CD2 4.23Å; F292-Y329 HydrophobicContact CB-CE1 3.42Å; F292-Y329 VanDerWaalsContact CB-CE1 3.42Å; F292-Y329 HydrophobicContact CB-CE2 4.12Å; F292-Y329 HydrophobicContact CB-CG 3.94Å; F292-Y329 HydrophobicContact CD2-CE2 4.46Å; F292-Y329 PolarHBondContact N-OH 2.79Å; F292-L366 HydrophobicContact CB-CD1 4.34Å; F292-L366 HydrophobicContact CD1-CD1 3.66Å; F292-L366 HydrophobicContact CD2-CD1 3.95Å; F292-L366 HydrophobicContact CE1-CD1 3.76Å; F292-L366 HydrophobicContact CE2-CD1 4.03Å; F292-L366 HydrophobicContact CG-CD1 3.74Å; F292-L366 HydrophobicContact CZ-CD1 3.94Å
293	S	96.4	Very high	94.8	Very high	54 Å²	54	28.5 Å²	28.5	38%	0.378	16%	0.156	S	C	.	.	H	α-helix	trans	-59.1	-34.5	173.8	84.3	0	0	0	0	111.4	D291 L296 A297	D291-S293 PolarHBondContact O-N 3.25Å; D291-S293 WeakPolarHBondContact OD1-CB 3.34Å; D291-S293 PolarHBondContact OD1-N 3.03Å; D291-S293 PolarHBondContact OD1-OG 3.31Å; D291-S293 PolarHBondContact OD2-OG 3.17Å; S293-L296 PolarHBondContact O-N 2.86Å; S293-A297 WeakPolarHBondContact O-CB 3.22Å; S293-A297 PolarHBondContact O-N 3.5Å
294	I	98.1	Very high	95	Very high	34 Å²	34	33.2 Å²	33.2	17%	0.174	18%	0.177	C	C	.	.	H	α-helix	trans	-61.9	-51.5	177.5	-61.5	173.3	0	0	0	110.9	D291 F292 A297 A298 L366 F410 S413 L416	D291-I294 HydrophobicContact CB-CD1 4.34Å; D291-I294 PolarHBondContact O-N 3.4Å; F292-I294 PolarHBondContact O-N 2.9Å; I294-A297 PolarHBondContact O-N 2.88Å; I294-A298 WeakPolarHBondContact O-CB 3.48Å; I294-A298 PolarHBondContact O-N 3.3Å; I294-L366 HydrophobicContact CB-CD2 4.05Å; I294-L366 HydrophobicContact CG2-CD2 4.21Å; I294-F410 HydrophobicContact CG2-CD2 4.46Å; I294-F410 HydrophobicContact CG2-CE2 3.86Å; I294-S413 WeakPolarHBondContact O-CB 3.3Å; I294-L416 HydrophobicContact CG2-CD2 4.36Å
295	L	98.3	Very high	95.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.7	-43.2	178.5	173.8	60.5	0	0	0	111.4	L280 F292 A297 A298 L299 I319 V364 L366 L416	L280-L295 HydrophobicContact CD2-CD1 4.1Å; F292-L295 HydrophobicContact CD1-CB 4.48Å; F292-L295 HydrophobicContact CD1-CD2 3.95Å; F292-L295 HydrophobicContact CE1-CD2 3.92Å; F292-L295 PolarHBondContact O-N 3.31Å; L295-A297 PolarHBondContact O-N 3.33Å; L295-A298 PolarHBondContact O-N 2.95Å; L295-L299 HydrophobicContact CD1-CD1 4.14Å; L295-L299 HydrophobicContact CD1-CD2 4.45Å; L295-L299 HydrophobicContact CD1-CG 4Å; L295-L299 HydrophobicContact CG-CD1 4.13Å; L295-L299 HydrophobicContact CG-CG 4.41Å; L295-L299 VanDerWaalsContact O-CG 3.28Å; L295-L299 WeakPolarHBondContact O-CG 3.36Å; L295-L299 PolarHBondContact O-N 3.44Å; L295-I319 HydrophobicContact CD2-CD1 4.26Å; L295-I319 HydrophobicContact CD2-CG1 4.47Å; L295-V364 HydrophobicContact CD1-CG1 4.33Å; L295-V364 HydrophobicContact CD1-CG2 4.39Å; L295-L366 HydrophobicContact CB-CD1 3.91Å; L295-L416 HydrophobicContact CB-CD2 4.48Å; L295-L416 HydrophobicContact CD1-CD2 4.13Å
296	L	98	Very high	95.5	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-63.6	-41.7	-179.9	-65.3	179.8	0	0	0	112.1	F292 S293 L299 E300 Y329 L332 I333	F292-L296 VanDerWaalsContact O-CG 3.32Å; F292-L296 WeakPolarHBondContact O-CG 3.38Å; F292-L296 PolarHBondContact O-N 3.11Å; S293-L296 PolarHBondContact O-N 2.86Å; L296-L299 PolarHBondContact O-N 2.87Å; L296-E300 WeakPolarHBondContact O-CG 3.44Å; L296-E300 PolarHBondContact O-N 3.49Å; L296-E300 VanDerWaalsContact O-N 3.07Å; L296-Y329 HydrophobicContact CD1-CD1 4.46Å; L296-L332 HydrophobicContact CD1-CB 4.04Å; L296-I333 HydrophobicContact CD1-CG1 4.17Å; L296-I333 HydrophobicContact CD2-CG1 3.71Å
297	A	98.3	Very high	95.6	Very high	26 Å²	26	36.5 Å²	36.5	22%	0.215	19%	0.19	C	C	.	.	H	α-helix	trans	-66.6	-37.8	175.6	0	0	0	0	0	112.2	S293 I294 L295 E300 K301	S293-A297 WeakPolarHBondContact O-CB 3.22Å; S293-A297 PolarHBondContact O-N 3.5Å; I294-A297 PolarHBondContact O-N 2.88Å; L295-A297 PolarHBondContact O-N 3.33Å; A297-E300 PolarHBondContact O-N 3.44Å; A297-K301 PolarHBondContact O-N 3.02Å
298	A	98.6	Very high	95.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.9	-39.5	175	0	0	0	0	0	112.1	I294 L295 K301 F302 L416 A417 L420	I294-A298 WeakPolarHBondContact O-CB 3.48Å; I294-A298 PolarHBondContact O-N 3.3Å; L295-A298 PolarHBondContact O-N 2.95Å; A298-K301 PolarHBondContact O-N 3.48Å; A298-F302 WeakPolarHBondContact O-CB 3.19Å; A298-F302 PolarHBondContact O-N 3.15Å; A298-L416 HydrophobicContact CB-CB 3.94Å; A298-L416 HydrophobicContact CB-CD2 3.76Å; A298-L416 HydrophobicContact CB-CG 3.73Å; A298-A417 HydrophobicContact CB-CB 4.17Å; A298-L420 HydrophobicContact CB-CD1 4.32Å
299	L	98.4	Very high	96.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.3	-35	175.4	-70.5	176.6	0	0	0	112.8	L280 L295 L296 F302 E303 L315 C317 F338 V341 V343 L420	L280-L299 HydrophobicContact CD2-CD2 4.12Å; L295-L299 HydrophobicContact CD1-CD1 4.14Å; L295-L299 HydrophobicContact CD1-CD2 4.45Å; L295-L299 HydrophobicContact CD1-CG 4Å; L295-L299 HydrophobicContact CG-CD1 4.13Å; L295-L299 HydrophobicContact CG-CG 4.41Å; L295-L299 VanDerWaalsContact O-CG 3.28Å; L295-L299 WeakPolarHBondContact O-CG 3.36Å; L295-L299 PolarHBondContact O-N 3.44Å; L296-L299 PolarHBondContact O-N 2.87Å; L299-F302 PolarHBondContact O-N 3.29Å; L299-E303 WeakPolarHBondContact O-CB 3.48Å; L299-E303 PolarHBondContact O-N 2.94Å; L299-L315 HydrophobicContact CD2-CD2 3.81Å; L299-C317 HydrophobicContact CD1-CB 4.18Å; L299-F338 HydrophobicContact CB-CE1 4.3Å; L299-F338 HydrophobicContact CB-CZ 3.96Å; L299-V341 HydrophobicContact CD1-CG1 4.36Å; L299-V341 HydrophobicContact CD2-CG1 4.28Å; L299-V343 HydrophobicContact CD1-CG2 4.14Å; L299-L420 HydrophobicContact CD2-CD1 4.34Å
300	E	97.9	Very high	96.5	Very high	76 Å²	76	39.4 Å²	39.4	36%	0.355	22%	0.221	S	C	.	.	H	α-helix	trans	-62.2	-43.2	172.6	-75.6	175.4	136.9	0	0	112.1	L296 A297 E303 Q304 K336 F338	L296-E300 WeakPolarHBondContact O-CG 3.44Å; L296-E300 PolarHBondContact O-N 3.49Å; L296-E300 VanDerWaalsContact O-N 3.07Å; A297-E300 PolarHBondContact O-N 3.44Å; E300-E303 WeakPolarHBondContact O-CB 3.34Å; E300-E303 PolarHBondContact O-N 3.36Å; E300-Q304 WeakPolarHBondContact O-CG 3.34Å; E300-Q304 PolarHBondContact O-N 2.9Å; E300-K336 HydrophobicContact CG-CD 4.32Å; E300-K336 WeakPolarHBondContact OE1-CD 3.28Å; E300-K336 WeakPolarHBondContact OE1-CE 3.47Å; E300-K336 IonicContact OE1-NZ 3.56Å; E300-K336 PolarHBondContact OE1-NZ 3.04Å; E300-K336 IonicContact OE2-NZ 2.7Å; E300-K336 PolarHBondContact OE2-NZ 3.49Å; E300-F338 HydrophobicContact CB-CE1 4.46Å; E300-F338 HydrophobicContact CG-CE1 3.76Å; E300-F338 HydrophobicContact CG-CZ 4.01Å
301	K	97.8	Very high	96.6	Very high	54 Å²	54	44.6 Å²	44.6	24%	0.235	25%	0.249	C	C	.	.	H	α-helix	trans	-66.4	-42.4	175	-68.7	171.3	-173.9	157.6	0	111.9	A297 A298 E303 Q304 L305 S413 E414 A417	A297-K301 PolarHBondContact O-N 3.02Å; A298-K301 PolarHBondContact O-N 3.48Å; K301-E303 VanDerWaalsContact C-N 3.3Å; K301-E303 PolarHBondContact O-N 3.25Å; K301-Q304 PolarHBondContact O-N 3.05Å; K301-Q304 VanDerWaalsContact O-N 3.17Å; K301-L305 WeakPolarHBondContact O-CG 3.3Å; K301-L305 PolarHBondContact O-N 2.89Å; K301-S413 PolarHBondContact NZ-OG 3.43Å; K301-E414 WeakPolarHBondContact CD-OE2 3.42Å; K301-E414 VanDerWaalsContact CE-CD 3.44Å; K301-E414 WeakPolarHBondContact CE-OE1 3.34Å; K301-E414 WeakPolarHBondContact CE-OE2 3.35Å; K301-E414 IonicContact NZ-OE1 3.15Å; K301-E414 PolarHBondContact NZ-OE1 2.94Å; K301-E414 IonicContact NZ-OE2 3.98Å; K301-E414 PolarHBondContact NZ-OE2 3.36Å; K301-A417 HydrophobicContact CB-CB 3.74Å; K301-A417 HydrophobicContact CD-CB 3.81Å; K301-A417 HydrophobicContact CG-CB 4.45Å
302	F	97.9	Very high	96.6	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.3	-41.6	175.4	-172.1	-95.2	0	0	0	111.9	A298 L299 L305 I306 L312 L315 V341 L420 F424	A298-F302 WeakPolarHBondContact O-CB 3.19Å; A298-F302 PolarHBondContact O-N 3.15Å; L299-F302 PolarHBondContact O-N 3.29Å; F302-L305 PolarHBondContact O-N 3.45Å; F302-I306 HydrophobicContact CD1-CD1 3.73Å; F302-I306 HydrophobicContact CD1-CG1 4.49Å; F302-I306 HydrophobicContact CE1-CD1 3.56Å; F302-I306 HydrophobicContact CE1-CG1 4.3Å; F302-I306 HydrophobicContact CZ-CD1 4.45Å; F302-I306 WeakPolarHBondContact O-CG1 3.24Å; F302-I306 PolarHBondContact O-N 3.46Å; F302-I306 VanDerWaalsContact O-N 3.15Å; F302-L312 HydrophobicContact CD2-CD1 4.29Å; F302-L312 HydrophobicContact CE2-CD1 3.95Å; F302-L312 HydrophobicContact CE2-CD2 4.02Å; F302-L312 HydrophobicContact CE2-CG 4.41Å; F302-L312 HydrophobicContact CZ-CB 4.16Å; F302-L312 HydrophobicContact CZ-CD1 4.3Å; F302-L312 HydrophobicContact CZ-CD2 4.3Å; F302-L312 HydrophobicContact CZ-CG 4.49Å; F302-L315 HydrophobicContact CD1-CD1 4.35Å; F302-L315 HydrophobicContact CE1-CB 4.07Å; F302-L315 HydrophobicContact CE1-CD1 3.9Å; F302-L315 HydrophobicContact CZ-CD1 4.26Å; F302-V341 HydrophobicContact CD1-CG2 4.15Å; F302-L420 HydrophobicContact CD2-CB 3.73Å; F302-L420 HydrophobicContact CE2-CB 4.12Å; F302-F424 HydrophobicContact CE2-CB 4.16Å; F302-F424 HydrophobicContact CE2-CD2 4.15Å; F302-F424 HydrophobicContact CZ-CB 4.07Å; F302-F424 HydrophobicContact CZ-CD2 4.17Å; F302-F424 HydrophobicContact CZ-CG 4.47Å
303	E	97.2	Very high	96.6	Very high	5 Å²	5	42.7 Å²	42.7	2%	0.023	24%	0.24	C	C	.	.	H	α-helix	trans	-60.3	-47.6	172.6	-179.4	78.4	-166.4	0	0	111.5	L299 E300 K301 L305 I306 L307 F338 Q339 R340 V341	L299-E303 WeakPolarHBondContact O-CB 3.48Å; L299-E303 PolarHBondContact O-N 2.94Å; E300-E303 WeakPolarHBondContact O-CB 3.34Å; E300-E303 PolarHBondContact O-N 3.36Å; K301-E303 VanDerWaalsContact C-N 3.3Å; K301-E303 PolarHBondContact O-N 3.25Å; E303-L305 VanDerWaalsContact C-N 3.33Å; E303-L305 PolarHBondContact O-N 3.09Å; E303-I306 WeakPolarHBondContact O-CB 3.46Å; E303-I306 PolarHBondContact O-N 2.84Å; E303-I306 VanDerWaalsContact O-N 3.13Å; E303-L307 HydrophobicContact CG-CD1 4.24Å; E303-L307 WeakPolarHBondContact O-CG 3.35Å; E303-L307 PolarHBondContact O-N 3.34Å; E303-F338 HydrophobicContact CB-CD1 4.06Å; E303-F338 HydrophobicContact CB-CE1 4.4Å; E303-F338 HydrophobicContact CG-CD1 4.11Å; E303-Q339 WeakPolarHBondContact OE1-CA 3.22Å; E303-Q339 VanDerWaalsContact OE1-CB 3.3Å; E303-Q339 WeakPolarHBondContact OE1-CB 3.41Å; E303-Q339 PolarHBondContact OE1-N 2.69Å; E303-R340 PolarHBondContact OE1-N 3Å; E303-R340 WeakPolarHBondContact OE2-CA 3.29Å; E303-R340 PolarHBondContact OE2-N 3.35Å; E303-V341 HydrophobicContact CB-CG2 4.31Å; E303-V341 WeakPolarHBondContact OE2-CG2 3.46Å; E303-V341 PolarHBondContact OE2-N 3.41Å
304	Q	97.3	Very high	96.7	Very high	105 Å²	105	40.4 Å²	40.4	49%	0.491	22%	0.224	S	C	.	.	H	α-helix	trans	-59.9	-42.3	177.8	-67.4	-50.2	-59.7	0	0	112	E300 K301 I306 L307 D308	E300-Q304 WeakPolarHBondContact O-CG 3.34Å; E300-Q304 PolarHBondContact O-N 2.9Å; K301-Q304 PolarHBondContact O-N 3.05Å; K301-Q304 VanDerWaalsContact O-N 3.17Å; Q304-I306 VanDerWaalsContact C-N 3.28Å; Q304-I306 PolarHBondContact O-N 3.48Å; Q304-L307 CarbonylContact O-C 3.53Å; Q304-L307 PolarHBondContact O-N 3.33Å; Q304-D308 WeakPolarHBondContact O-CB 3.44Å; Q304-D308 VanDerWaalsContact O-CG 3.29Å; Q304-D308 PolarHBondContact O-N 3.23Å
305	L	96.4	Very high	96.7	Very high	33 Å²	33	38.8 Å²	38.8	17%	0.173	22%	0.216	C	C	.	.	H	α-helix	trans	-59.1	-39	175.7	-69	169.9	0	0	0	112.2	K301 F302 E303 D308 H310 L312 Q421	K301-L305 WeakPolarHBondContact O-CG 3.3Å; K301-L305 PolarHBondContact O-N 2.89Å; F302-L305 PolarHBondContact O-N 3.45Å; E303-L305 VanDerWaalsContact C-N 3.33Å; E303-L305 PolarHBondContact O-N 3.09Å; L305-D308 PolarHBondContact O-N 3.42Å; L305-H310 VanDerWaalsContact O-CB 3.24Å; L305-H310 WeakPolarHBondContact O-CB 3.26Å; L305-H310 PolarHBondContact O-CD2 3.08Å; L305-H310 PolarHBondContact O-N 3.47Å; L305-H310 VanDerWaalsContact O-N 3.11Å; L305-L312 HydrophobicContact CB-CD1 3.75Å; L305-Q421 HydrophobicContact CD1-CB 3.92Å; L305-Q421 HydrophobicContact CD1-CG 3.98Å
306	I	95.4	Very high	96.7	Very high	14 Å²	14	38.8 Å²	38.8	7%	0.072	22%	0.216	C	C	.	.	H	α-helix	trans	-63.7	-44	174	-63.6	159.6	0	0	0	110.6	F302 E303 Q304 D308 G309 L312 R340	F302-I306 HydrophobicContact CD1-CD1 3.73Å; F302-I306 HydrophobicContact CD1-CG1 4.49Å; F302-I306 HydrophobicContact CE1-CD1 3.56Å; F302-I306 HydrophobicContact CE1-CG1 4.3Å; F302-I306 HydrophobicContact CZ-CD1 4.45Å; F302-I306 WeakPolarHBondContact O-CG1 3.24Å; F302-I306 PolarHBondContact O-N 3.46Å; F302-I306 VanDerWaalsContact O-N 3.15Å; E303-I306 WeakPolarHBondContact O-CB 3.46Å; E303-I306 PolarHBondContact O-N 2.84Å; E303-I306 VanDerWaalsContact O-N 3.13Å; Q304-I306 VanDerWaalsContact C-N 3.28Å; Q304-I306 PolarHBondContact O-N 3.48Å; I306-D308 VanDerWaalsContact C-N 3.32Å; I306-D308 PolarHBondContact O-N 3.08Å; I306-G309 PolarHBondContact O-N 3.12Å; I306-L312 HydrophobicContact CG1-CB 3.63Å; I306-L312 HydrophobicContact CG1-CD1 4.12Å; I306-R340 HydrophobicContact CD1-CB 3.9Å; I306-R340 HydrophobicContact CG2-CB 4.14Å; I306-R340 HydrophobicContact CG2-CG 3.82Å
307	L	95.5	Very high	96.7	Very high	77 Å²	77	38.6 Å²	38.6	40%	0.403	22%	0.215	S	C	.	.	H	α-helix	trans	-67.9	-31.5	-179.1	-64.6	175.5	0	0	0	112.7	E303 Q304 G309	E303-L307 HydrophobicContact CG-CD1 4.24Å; E303-L307 WeakPolarHBondContact O-CG 3.35Å; E303-L307 PolarHBondContact O-N 3.34Å; Q304-L307 CarbonylContact O-C 3.53Å; Q304-L307 PolarHBondContact O-N 3.33Å; L307-G309 PolarHBondContact O-N 3.18Å
308	D	95.6	Very high	96.7	Very high	120 Å²	120	37.4 Å²	37.4	64%	0.642	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	0	174.9	-68.9	-21.1	0	0	0	113	Q304 L305 I306	Q304-D308 WeakPolarHBondContact O-CB 3.44Å; Q304-D308 VanDerWaalsContact O-CG 3.29Å; Q304-D308 PolarHBondContact O-N 3.23Å; L305-D308 PolarHBondContact O-N 3.42Å; I306-D308 VanDerWaalsContact C-N 3.32Å; I306-D308 PolarHBondContact O-N 3.08Å
309	G	93.3	Very high	96.7	Very high	66 Å²	66	37.4 Å²	37.4	68%	0.68	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.7	12.9	172.5	0	0	0	0	0	114.9	I306 L307	I306-G309 PolarHBondContact O-N 3.12Å; L307-G309 PolarHBondContact O-N 3.18Å
310	H	93.9	Very high	96.5	Very high	91 Å²	91	37.8 Å²	37.8	42%	0.421	21%	0.207	S	C	.	.			trans	-66.3	142.3	170.9	-68.1	-96.2	0	0	0	110.9	L305 L312	L305-H310 VanDerWaalsContact O-CB 3.24Å; L305-H310 WeakPolarHBondContact O-CB 3.26Å; L305-H310 PolarHBondContact O-CD2 3.08Å; L305-H310 PolarHBondContact O-N 3.47Å; L305-H310 VanDerWaalsContact O-N 3.11Å; H310-L312 VanDerWaalsContact C-N 3.29Å; H310-L312 HydrophobicContact CB-CD1 4.02Å; H310-L312 HydrophobicContact CB-CG 4.12Å; H310-L312 PolarHBondContact O-N 2.82Å
311	N	92.6	Very high	96.2	Very high	111 Å²	111	35 Å²	35	59%	0.594	20%	0.198	S	C	*	.			trans	-75.5	79.9	178.6	-169.3	27.3	0	0	0	111.4	N426	N311-N426 PolarHBondContact ND2-OD1 2.66Å; N311-N426 PolarHBondContact O-N 3.26Å
312	L	95.9	Very high	95.7	Very high	11 Å²	11	39 Å²	39	6%	0.058	22%	0.216	C	C	.	.			trans	-126.3	143.2	-177.4	-68.1	173.4	0	0	0	110.2	F302 L305 I306 H310 Q421 F424	F302-L312 HydrophobicContact CD2-CD1 4.29Å; F302-L312 HydrophobicContact CE2-CD1 3.95Å; F302-L312 HydrophobicContact CE2-CD2 4.02Å; F302-L312 HydrophobicContact CE2-CG 4.41Å; F302-L312 HydrophobicContact CZ-CB 4.16Å; F302-L312 HydrophobicContact CZ-CD1 4.3Å; F302-L312 HydrophobicContact CZ-CD2 4.3Å; F302-L312 HydrophobicContact CZ-CG 4.49Å; L305-L312 HydrophobicContact CB-CD1 3.75Å; I306-L312 HydrophobicContact CG1-CB 3.63Å; I306-L312 HydrophobicContact CG1-CD1 4.12Å; H310-L312 VanDerWaalsContact C-N 3.29Å; H310-L312 HydrophobicContact CB-CD1 4.02Å; H310-L312 HydrophobicContact CB-CG 4.12Å; H310-L312 PolarHBondContact O-N 2.82Å; L312-Q421 HydrophobicContact CD1-CG 4.38Å; L312-Q421 HydrophobicContact CD2-CG 4.41Å; L312-F424 HydrophobicContact CD2-CB 4.39Å
313	P	96.4	Very high	95.3	Very high	15 Å²	15	40.1 Å²	40.1	10%	0.097	23%	0.227	C	C	.	.			trans	-72.5	160.5	179.6	34.6	-39.5	0	0	0	110.9	A278 F424 F427	A278-P313 HydrophobicContact CB-CG 3.93Å; P313-F424 WeakPolarHBondContact CD-O 3.35Å; P313-F424 HydrophobicContact CG-CB 4.04Å; P313-F424 HydrophobicContact CG-CG 4.47Å; P313-F427 HydrophobicContact CB-CB 4.42Å; P313-F427 HydrophobicContact CB-CD1 3.86Å; P313-F427 HydrophobicContact CG-CB 3.82Å; P313-F427 HydrophobicContact CG-CD1 3.82Å; P313-F427 HydrophobicContact CG-CG 4.06Å
314	S	97.1	Very high	95.1	Very high	7 Å²	7	44.7 Å²	44.7	5%	0.049	26%	0.257	C	S	.	.			trans	-59.5	153.6	157.1	-89.5	0	0	0	0	110.4	R247 P277 A278 R340	R247-S314 VanDerWaalsContact NH1-CB 3.32Å; R247-S314 PolarHBondContact NH1-OG 2.79Å; R247-S314 VanDerWaalsContact NH1-OG 3.11Å; R247-S314 PolarHBondContact NH2-OG 3.46Å; P277-S314 CarbonylContact C-O 3.56Å; P277-S314 WeakPolarHBondContact CA-O 3.35Å; P277-S314 WeakPolarHBondContact CB-O 3.26Å; A278-S314 PolarHBondContact N-O 3.33Å; S314-R340 WeakPolarHBondContact CA-O 3.26Å; S314-R340 VanDerWaalsContact CB-O 3.28Å; S314-R340 WeakPolarHBondContact CB-O 3.38Å; S314-R340 PolarHBondContact OG-NE 3.12Å; S314-R340 PolarHBondContact OG-O 3.08Å; S314-R340 VanDerWaalsContact OG-O 3.13Å
315	L	98	Very high	94.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	135.1	-176.3	-170.6	141.3	0	0	0	111.2	L280 L299 F302 C317 R340 V341 Q342 F424	L280-L315 HydrophobicContact CB-CD1 4.33Å; L280-L315 HydrophobicContact CB-CD2 3.96Å; L280-L315 HydrophobicContact CB-CG 4.27Å; L280-L315 HydrophobicContact CD2-CD1 4.38Å; L280-L315 HydrophobicContact CD2-CD2 4.07Å; L299-L315 HydrophobicContact CD2-CD2 3.81Å; F302-L315 HydrophobicContact CD1-CD1 4.35Å; F302-L315 HydrophobicContact CE1-CB 4.07Å; F302-L315 HydrophobicContact CE1-CD1 3.9Å; F302-L315 HydrophobicContact CZ-CD1 4.26Å; L315-C317 HydrophobicContact CD2-CB 3.72Å; L315-R340 PolarHBondContact N-O 3.28Å; L315-V341 HydrophobicContact CB-CG2 4.25Å; L315-V341 HydrophobicContact CD2-CG1 4.11Å; L315-V341 CarbonylContact O-C 3.47Å; L315-V341 WeakPolarHBondContact O-CA 3.48Å; L315-Q342 PolarHBondContact O-N 3.04Å; L315-F424 HydrophobicContact CD1-CD2 4.22Å; L315-F424 HydrophobicContact CD1-CE2 3.91Å
316	V	98.5	Very high	94.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	113.4	168.2	175.2	0	0	0	0	107.2	P243 F244 F260 P277 A278 L279 L280 V318 Q342	P243-V316 HydrophobicContact CB-CG1 3.74Å; P243-V316 HydrophobicContact CB-CG2 4.11Å; F244-V316 HydrophobicContact CE2-CG1 4.42Å; F260-V316 HydrophobicContact CE1-CG2 4.5Å; F260-V316 HydrophobicContact CZ-CB 3.83Å; F260-V316 HydrophobicContact CZ-CG1 4.12Å; F260-V316 HydrophobicContact CZ-CG2 3.85Å; P277-V316 HydrophobicContact CB-CG2 4Å; P277-V316 HydrophobicContact CG-CG2 3.82Å; A278-V316 PolarHBondContact O-N 3.39Å; L279-V316 HydrophobicContact CD1-CB 4.4Å; L279-V316 HydrophobicContact CD1-CG1 4.16Å; L280-V316 PolarHBondContact N-O 2.8Å; V316-V318 HydrophobicContact CG1-CG2 4.28Å; V316-Q342 CarbonylContact C-O 3.5Å; V316-Q342 WeakPolarHBondContact CA-O 3.27Å
317	C	98.6	Very high	94.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	117.1	177.8	-178	0	0	0	0	109.8	L280 L299 L315 Q342 V343 C344	L280-C317 HydrophobicContact CB-CB 4.4Å; L280-C317 HydrophobicContact CD2-CB 4.37Å; L280-C317 CarbonylContact O-C 3.5Å; L280-C317 WeakPolarHBondContact O-CA 3.08Å; L299-C317 HydrophobicContact CD1-CB 4.18Å; L315-C317 HydrophobicContact CD2-CB 3.72Å; C317-Q342 PolarHBondContact N-O 2.83Å; C317-V343 HydrophobicContact CB-CG1 4.43Å; C317-V343 HydrophobicContact CB-CG2 4.16Å; C317-V343 CarbonylContact O-C 3.44Å; C317-V343 VanDerWaalsContact O-CA 3.29Å; C317-V343 WeakPolarHBondContact O-CA 3.44Å; C317-C344 PolarHBondContact O-N 2.81Å
318	V	98.5	Very high	94.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	118.8	176.8	174.7	0	0	0	0	108.9	F244 L279 L280 V281 S282 V316 C344 P346 L356	F244-V318 HydrophobicContact CE2-CG2 3.78Å; F244-V318 HydrophobicContact CZ-CG2 3.63Å; L279-V318 HydrophobicContact CD1-CG2 3.95Å; L280-V318 PolarHBondContact O-N 3.39Å; V281-V318 CarbonylContact C-O 3.36Å; V281-V318 WeakPolarHBondContact CA-O 3.31Å; V281-V318 HydrophobicContact CG2-CB 4.26Å; S282-V318 PolarHBondContact N-O 3.38Å; V316-V318 HydrophobicContact CG1-CG2 4.28Å; V318-C344 WeakPolarHBondContact CA-O 3.48Å; V318-P346 HydrophobicContact CG1-CG 3.49Å; V318-P346 VanDerWaalsContact CG1-CG 3.49Å; V318-L356 HydrophobicContact CB-CD2 4.38Å; V318-L356 HydrophobicContact CG1-CD2 3.66Å
319	I	97.6	Very high	94.9	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	105.6	174.3	-52.1	167.8	0	0	0	109	S282 T284 W286 F292 L295 I333 V343 C344 T345	S282-I319 CarbonylContact O-C 3.48Å; S282-I319 VanDerWaalsContact O-CA 3.27Å; S282-I319 WeakPolarHBondContact O-CA 3.29Å; T284-I319 HydrophobicContact CG2-CG2 3.56Å; W286-I319 HydrophobicContact CH2-CB 4.12Å; W286-I319 HydrophobicContact CH2-CG2 3.37Å; W286-I319 HydrophobicContact CZ2-CB 4.24Å; W286-I319 HydrophobicContact CZ2-CG2 3.47Å; W286-I319 VanDerWaalsContact CZ2-CG2 3.47Å; W286-I319 HydrophobicContact CZ3-CG2 4.17Å; F292-I319 HydrophobicContact CD1-CD1 3.79Å; F292-I319 HydrophobicContact CD1-CG1 4.44Å; F292-I319 HydrophobicContact CD1-CG2 4.15Å; F292-I319 HydrophobicContact CE1-CB 4.3Å; F292-I319 HydrophobicContact CE1-CD1 3.83Å; F292-I319 HydrophobicContact CE1-CG1 3.97Å; F292-I319 HydrophobicContact CE1-CG2 3.36Å; F292-I319 HydrophobicContact CZ-CG2 3.6Å; L295-I319 HydrophobicContact CD2-CD1 4.26Å; L295-I319 HydrophobicContact CD2-CG1 4.47Å; I319-I333 HydrophobicContact CD1-CD1 4.06Å; I319-V343 HydrophobicContact CD1-CG1 3.86Å; I319-V343 HydrophobicContact CG1-CG1 4.37Å; I319-C344 PolarHBondContact N-O 3.2Å; I319-T345 HydrophobicContact CB-CG2 4.23Å; I319-T345 WeakPolarHBondContact O-CA 3.32Å; I319-T345 WeakPolarHBondContact O-CB 3.47Å
320	T	94.9	Very high	95	Very high	7 Å²	7	43 Å²	43	4%	0.043	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	143.6	-172.1	-167.9	0	0	0	0	112.9	S282 S283 T284 P346 L348 Y353	S282-T320 PolarHBondContact O-N 3.3Å; S283-T320 CarbonylContact C-O 3.55Å; S283-T320 WeakPolarHBondContact CA-O 3.43Å; T284-T320 WeakPolarHBondContact CG2-O 3.47Å; T284-T320 PolarHBondContact N-O 3.17Å; T320-P346 PolarHBondContact OG1-O 3.15Å; T320-L348 HydrophobicContact CG2-CD1 3.85Å; T320-L348 WeakPolarHBondContact OG1-CD1 3.39Å; T320-Y353 HydrophobicContact CG2-CD2 4.09Å; T320-Y353 HydrophobicContact CG2-CE2 3.97Å
321	G	91.3	Very high	95.1	Very high	17 Å²	17	46.1 Å²	46.1	18%	0.175	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	138	-172.9	176	0	0	0	0	0	113.4	T284 W286	T284-G321 VanDerWaalsContact O-CA 3.31Å; T284-G321 WeakPolarHBondContact O-CA 3.24Å; W286-G321 PolarHBondContact NE1-O 3.04Å; W286-G321 VanDerWaalsContact NE1-O 3.11Å
322	K	87.1	Confident	95.3	Very high	140 Å²	140	43 Å²	43	61%	0.609	21%	0.212	S	C	*	.			trans	-140.9	135.6	-176.1	168.8	178.9	-173.6	176.1	0	111.9	S285 W347	S285-K322 CarbonylContact O-C 3.31Å; S285-K322 VanDerWaalsContact O-O 3.13Å; K322-W347 HydrophobicContact CB-CE3 4.43Å; K322-W347 HydrophobicContact CB-CH2 4.09Å; K322-W347 HydrophobicContact CB-CZ3 3.47Å; K322-W347 VanDerWaalsContact CB-CZ3 3.47Å; K322-W347 HydrophobicContact CD-CH2 4.1Å; K322-W347 HydrophobicContact CD-CZ3 4.15Å; K322-W347 HydrophobicContact CG-CZ3 4.43Å
323	G	90.6	Very high	95.2	Very high	22 Å²	22	43.6 Å²	43.6	23%	0.227	21%	0.214	C	C	.	.	S	Bend	trans	172.1	-172.2	168.1	0	0	0	0	0	112.6	S285 L325 R326	S285-G323 VanDerWaalsContact O-CA 3.23Å; S285-G323 WeakPolarHBondContact O-CA 3.46Å; G323-L325 PolarHBondContact O-N 2.77Å; G323-R326 PolarHBondContact O-N 3Å
324	P	92.1	Very high	95.1	Very high	101 Å²	101	50.4 Å²	50.4	66%	0.656	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-26.7	-162.1	25.9	-35.2	0	0	0	114.8	W286 T287	W286-P324 WeakPolarHBondContact O-CD 3.49Å; W286-P324 WeakPolarHBondContact O-CG 3.26Å; T287-P324 HydrophobicContact CG2-CG 4.43Å
325	L	94.1	Very high	95	Very high	43 Å²	43	56.7 Å²	56.7	23%	0.225	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	4.2	-177.5	-59.4	178.8	0	0	0	114	W286 E288 G323 E327 Y328 Y329	W286-L325 HydrophobicContact CB-CB 4.34Å; W286-L325 VanDerWaalsContact O-CB 3.29Å; W286-L325 WeakPolarHBondContact O-CB 3.19Å; W286-L325 WeakPolarHBondContact O-CG 2.98Å; W286-L325 PolarHBondContact O-N 3.42Å; E288-L325 HydrophobicContact CG-CD1 4.27Å; G323-L325 PolarHBondContact O-N 2.77Å; L325-E327 PolarHBondContact O-N 2.99Å; L325-Y328 WeakPolarHBondContact O-CB 3.49Å; L325-Y328 PolarHBondContact O-N 3.38Å; L325-Y329 HydrophobicContact CB-CD2 3.94Å; L325-Y329 HydrophobicContact CB-CE2 3.94Å; L325-Y329 HydrophobicContact CD1-CE2 4.17Å; L325-Y329 WeakPolarHBondContact O-CD2 3.41Å; L325-Y329 PolarHBondContact O-N 2.87Å; L325-Y329 VanDerWaalsContact O-N 3.09Å
326	R	94.6	Very high	94.8	Very high	64 Å²	64	59.5 Å²	59.5	24%	0.242	29%	0.286	C	S	.	.	H	α-helix	trans	-58.5	-48.8	-176.8	-176.7	179.3	-179.9	-163.8	4.1	111.9	W286 G323 Y328 S330 T345	W286-R326 HydrophobicContact CB-CB 4.27Å; W286-R326 HydrophobicContact CD2-CB 3.83Å; W286-R326 HydrophobicContact CD2-CG 4.16Å; W286-R326 HydrophobicContact CG-CB 3.73Å; W286-R326 HydrophobicContact CG-CG 4.38Å; W286-R326 HydrophobicContact CZ2-CG 4.06Å; G323-R326 PolarHBondContact O-N 3Å; R326-Y328 VanDerWaalsContact C-N 3.31Å; R326-Y328 PolarHBondContact O-N 3.09Å; R326-S330 VanDerWaalsContact O-CB 3.26Å; R326-S330 WeakPolarHBondContact O-CB 3.23Å; R326-S330 PolarHBondContact O-N 3.49Å; R326-S330 PolarHBondContact O-OG 3.5Å; R326-T345 PolarHBondContact NH2-O 3.26Å
327	E	95.2	Very high	94.4	Very high	111 Å²	111	65.3 Å²	65.3	52%	0.519	33%	0.325	S	S	.	.	H	α-helix	trans	-66	-35.7	-179	-71.2	70.7	-157.4	0	0	111.8	L325 R331	L325-E327 PolarHBondContact O-N 2.99Å; E327-R331 WeakPolarHBondContact O-CG 3.37Å; E327-R331 PolarHBondContact O-N 2.95Å
328	Y	95.9	Very high	94.2	Very high	121 Å²	121	67.4 Å²	67.4	48%	0.475	33%	0.334	S	S	.	.	H	α-helix	trans	-61	-55.8	176.8	167.8	-101.9	0	0	0	111	L325 R326 S330 R331 L332	L325-Y328 WeakPolarHBondContact O-CB 3.49Å; L325-Y328 PolarHBondContact O-N 3.38Å; R326-Y328 VanDerWaalsContact C-N 3.31Å; R326-Y328 PolarHBondContact O-N 3.09Å; Y328-S330 VanDerWaalsContact C-N 3.32Å; Y328-S330 PolarHBondContact O-N 2.89Å; Y328-R331 PolarHBondContact O-N 3.25Å; Y328-L332 HydrophobicContact CD1-CD1 4.33Å; Y328-L332 HydrophobicContact CE1-CD1 3.65Å; Y328-L332 HydrophobicContact CE2-CD1 4.36Å; Y328-L332 PolarHBondContact O-N 3.3Å
329	Y	96.7	Very high	94	Very high	15 Å²	15	74.2 Å²	74.2	6%	0.059	37%	0.366	C	S	.	.	H	α-helix	trans	-68.5	-30.8	179.3	-75	-68	0	0	0	112.7	W286 D291 F292 L296 L325 R331 L332 I333	W286-Y329 AromaticContact CE3-CD2 3.73Å; W286-Y329 HydrophobicContact CE3-CD2 3.73Å; W286-Y329 HydrophobicContact CE3-CG 4.29Å; W286-Y329 VanDerWaalsContact CZ3-CB 3.43Å; W286-Y329 AromaticContact CZ3-CD2 3.79Å; W286-Y329 HydrophobicContact CZ3-CD2 3.79Å; W286-Y329 AromaticContact CZ3-CG 3.88Å; W286-Y329 HydrophobicContact CZ3-CG 3.88Å; D291-Y329 PolarHBondContact OD1-OH 3.44Å; F292-Y329 HydrophobicContact CB-CD1 3.52Å; F292-Y329 HydrophobicContact CB-CD2 4.23Å; F292-Y329 HydrophobicContact CB-CE1 3.42Å; F292-Y329 VanDerWaalsContact CB-CE1 3.42Å; F292-Y329 HydrophobicContact CB-CE2 4.12Å; F292-Y329 HydrophobicContact CB-CG 3.94Å; F292-Y329 HydrophobicContact CD2-CE2 4.46Å; F292-Y329 PolarHBondContact N-OH 2.79Å; L296-Y329 HydrophobicContact CD1-CD1 4.46Å; L325-Y329 HydrophobicContact CB-CD2 3.94Å; L325-Y329 HydrophobicContact CB-CE2 3.94Å; L325-Y329 HydrophobicContact CD1-CE2 4.17Å; L325-Y329 WeakPolarHBondContact O-CD2 3.41Å; L325-Y329 PolarHBondContact O-N 2.87Å; L325-Y329 VanDerWaalsContact O-N 3.09Å; Y329-R331 VanDerWaalsContact C-N 3.28Å; Y329-R331 PolarHBondContact O-N 3.07Å; Y329-L332 HydrophobicContact CD1-CD1 3.89Å; Y329-L332 HydrophobicContact CE1-CD1 4.24Å; Y329-L332 PolarHBondContact O-N 3.13Å; Y329-L332 VanDerWaalsContact O-N 3.15Å; Y329-I333 WeakPolarHBondContact O-CD1 3.41Å; Y329-I333 VanDerWaalsContact O-CG1 3.28Å; Y329-I333 WeakPolarHBondContact O-CG1 3.47Å; Y329-I333 PolarHBondContact O-N 2.86Å
330	S	95.4	Very high	93.9	Very high	25 Å²	25	79.2 Å²	79.2	18%	0.175	39%	0.385	C	S	.	.	H	α-helix	trans	-60.2	-38.1	174.5	-62.8	0	0	0	0	112	R326 Y328 Q334	R326-S330 VanDerWaalsContact O-CB 3.26Å; R326-S330 WeakPolarHBondContact O-CB 3.23Å; R326-S330 PolarHBondContact O-N 3.49Å; R326-S330 PolarHBondContact O-OG 3.5Å; Y328-S330 VanDerWaalsContact C-N 3.32Å; Y328-S330 PolarHBondContact O-N 2.89Å; S330-Q334 VanDerWaalsContact O-CG 3.32Å; S330-Q334 WeakPolarHBondContact O-CG 3.19Å; S330-Q334 PolarHBondContact O-N 2.72Å; S330-Q334 VanDerWaalsContact O-N 3.11Å
331	R	96.1	Very high	94.1	Very high	158 Å²	158	79 Å²	79	60%	0.596	38%	0.384	S	S	*	.	H	α-helix	trans	-67.3	-41.4	173.9	-68	178.6	-144.5	153.8	5.1	111.9	E327 Y328 Y329 I333 Q334 Q335	E327-R331 WeakPolarHBondContact O-CG 3.37Å; E327-R331 PolarHBondContact O-N 2.95Å; Y328-R331 PolarHBondContact O-N 3.25Å; Y329-R331 VanDerWaalsContact C-N 3.28Å; Y329-R331 PolarHBondContact O-N 3.07Å; R331-I333 VanDerWaalsContact C-N 3.33Å; R331-I333 PolarHBondContact O-N 2.86Å; R331-Q334 PolarHBondContact O-N 2.81Å; R331-Q335 WeakPolarHBondContact O-CG 3.41Å; R331-Q335 PolarHBondContact O-N 3.15Å
332	L	96	Very high	94.4	Very high	45 Å²	45	81.3 Å²	81.3	24%	0.236	39%	0.39	C	S	.	.	H	α-helix	trans	-61.8	-42.6	176.6	-66.7	179.5	0	0	0	111.5	L296 Y328 Y329 Q334 Q335 K336	L296-L332 HydrophobicContact CD1-CB 4.04Å; Y328-L332 HydrophobicContact CD1-CD1 4.33Å; Y328-L332 HydrophobicContact CE1-CD1 3.65Å; Y328-L332 HydrophobicContact CE2-CD1 4.36Å; Y328-L332 PolarHBondContact O-N 3.3Å; Y329-L332 HydrophobicContact CD1-CD1 3.89Å; Y329-L332 HydrophobicContact CE1-CD1 4.24Å; Y329-L332 PolarHBondContact O-N 3.13Å; Y329-L332 VanDerWaalsContact O-N 3.15Å; L332-Q334 VanDerWaalsContact C-N 3.35Å; L332-Q334 PolarHBondContact O-N 2.8Å; L332-Q335 WeakPolarHBondContact O-CB 3.35Å; L332-Q335 PolarHBondContact O-N 3.14Å; L332-K336 WeakPolarHBondContact O-CG 3.46Å; L332-K336 PolarHBondContact O-N 3.39Å
333	I	95.6	Very high	94.8	Very high	23 Å²	23	75.9 Å²	75.9	12%	0.118	37%	0.369	C	S	.	.	H	α-helix	trans	-60.2	-44.2	176.1	-70.1	161	0	0	0	110.9	L296 I319 Y329 R331 Q335 K336 V343 T345	L296-I333 HydrophobicContact CD1-CG1 4.17Å; L296-I333 HydrophobicContact CD2-CG1 3.71Å; I319-I333 HydrophobicContact CD1-CD1 4.06Å; Y329-I333 WeakPolarHBondContact O-CD1 3.41Å; Y329-I333 VanDerWaalsContact O-CG1 3.28Å; Y329-I333 WeakPolarHBondContact O-CG1 3.47Å; Y329-I333 PolarHBondContact O-N 2.86Å; R331-I333 VanDerWaalsContact C-N 3.33Å; R331-I333 PolarHBondContact O-N 2.86Å; I333-Q335 PolarHBondContact O-N 2.83Å; I333-K336 WeakPolarHBondContact O-CB 3.43Å; I333-K336 PolarHBondContact O-N 2.8Å; I333-K336 VanDerWaalsContact O-N 3.08Å; I333-V343 HydrophobicContact CD1-CG1 3.94Å; I333-V343 HydrophobicContact CG1-CG1 4.22Å; I333-V343 HydrophobicContact CG2-CB 3.75Å; I333-V343 HydrophobicContact CG2-CG1 3.89Å; I333-V343 HydrophobicContact CG2-CG2 4.47Å; I333-T345 HydrophobicContact CD1-CG2 4.15Å
334	Q	93.6	Very high	95.1	Very high	159 Å²	159	75.4 Å²	75.4	74%	0.743	36%	0.362	S	S	*	.	H	α-helix	trans	-64.5	-23.6	178.4	-74.1	172.5	-1.9	0	0	113.6	S330 R331 L332 K336	S330-Q334 VanDerWaalsContact O-CG 3.32Å; S330-Q334 WeakPolarHBondContact O-CG 3.19Å; S330-Q334 PolarHBondContact O-N 2.72Å; S330-Q334 VanDerWaalsContact O-N 3.11Å; R331-Q334 PolarHBondContact O-N 2.81Å; L332-Q334 VanDerWaalsContact C-N 3.35Å; L332-Q334 PolarHBondContact O-N 2.8Å; Q334-K336 VanDerWaalsContact C-N 3.32Å
335	Q	94.6	Very high	95.2	Very high	139 Å²	139	72.2 Å²	72.2	65%	0.65	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-10.9	176.5	-69.5	169.7	-6.3	0	0	112.8	R331 L332 I333	R331-Q335 WeakPolarHBondContact O-CG 3.41Å; R331-Q335 PolarHBondContact O-N 3.15Å; L332-Q335 WeakPolarHBondContact O-CB 3.35Å; L332-Q335 PolarHBondContact O-N 3.14Å; I333-Q335 PolarHBondContact O-N 2.83Å
336	K	93.1	Very high	95.2	Very high	58 Å²	58	70.2 Å²	70.2	25%	0.252	33%	0.33	S	S	.	.			trans	-78.4	135.3	178.2	-58.2	-54.9	-169.9	176	0	110.8	E300 L332 I333 Q334 F338	E300-K336 HydrophobicContact CG-CD 4.32Å; E300-K336 WeakPolarHBondContact OE1-CD 3.28Å; E300-K336 WeakPolarHBondContact OE1-CE 3.47Å; E300-K336 IonicContact OE1-NZ 3.56Å; E300-K336 PolarHBondContact OE1-NZ 3.04Å; E300-K336 IonicContact OE2-NZ 2.7Å; E300-K336 PolarHBondContact OE2-NZ 3.49Å; L332-K336 WeakPolarHBondContact O-CG 3.46Å; L332-K336 PolarHBondContact O-N 3.39Å; I333-K336 WeakPolarHBondContact O-CB 3.43Å; I333-K336 PolarHBondContact O-N 2.8Å; I333-K336 VanDerWaalsContact O-N 3.08Å; Q334-K336 VanDerWaalsContact C-N 3.32Å; K336-F338 HydrophobicContact CB-CD2 3.66Å; K336-F338 HydrophobicContact CB-CE1 4.43Å; K336-F338 HydrophobicContact CB-CE2 3.35Å; K336-F338 HydrophobicContact CB-CG 4.34Å; K336-F338 HydrophobicContact CB-CZ 3.78Å; K336-F338 HydrophobicContact CD-CZ 4.48Å; K336-F338 HydrophobicContact CG-CE2 3.72Å; K336-F338 HydrophobicContact CG-CZ 3.92Å; K336-F338 PolarHBondContact O-N 2.8Å
337	C	90.1	Very high	94.9	Very high	123 Å²	123	73.9 Å²	73.9	83%	0.831	34%	0.344	S	S	*	.			trans	-100.9	62.8	179.3	-61.4	0	0	0	0	111.4
338	F	95.3	Very high	94.7	Very high	43 Å²	43	69.3 Å²	69.3	19%	0.189	32%	0.323	C	S	.	.			trans	-80.1	139.5	178.1	-61	-55.6	0	0	0	112.2	L299 E300 E303 K336 V341 V343	L299-F338 HydrophobicContact CB-CE1 4.3Å; L299-F338 HydrophobicContact CB-CZ 3.96Å; E300-F338 HydrophobicContact CB-CE1 4.46Å; E300-F338 HydrophobicContact CG-CE1 3.76Å; E300-F338 HydrophobicContact CG-CZ 4.01Å; E303-F338 HydrophobicContact CB-CD1 4.06Å; E303-F338 HydrophobicContact CB-CE1 4.4Å; E303-F338 HydrophobicContact CG-CD1 4.11Å; K336-F338 HydrophobicContact CB-CD2 3.66Å; K336-F338 HydrophobicContact CB-CE1 4.43Å; K336-F338 HydrophobicContact CB-CE2 3.35Å; K336-F338 HydrophobicContact CB-CG 4.34Å; K336-F338 HydrophobicContact CB-CZ 3.78Å; K336-F338 HydrophobicContact CD-CZ 4.48Å; K336-F338 HydrophobicContact CG-CE2 3.72Å; K336-F338 HydrophobicContact CG-CZ 3.92Å; K336-F338 PolarHBondContact O-N 2.8Å; F338-V341 HydrophobicContact CB-CB 3.97Å; F338-V341 WeakPolarHBondContact CB-O 3.1Å; F338-V341 HydrophobicContact CD1-CB 3.99Å; F338-V341 HydrophobicContact CD1-CG1 4.45Å; F338-V341 HydrophobicContact CD2-CB 4.32Å; F338-V341 HydrophobicContact CD2-CG1 4.14Å; F338-V341 HydrophobicContact CE2-CG1 4.37Å; F338-V341 HydrophobicContact CG-CB 3.86Å; F338-V341 HydrophobicContact CG-CG1 4.19Å; F338-V343 HydrophobicContact CD2-CG2 4.27Å; F338-V343 HydrophobicContact CE2-CG2 3.99Å
339	Q	94	Very high	94.3	Very high	144 Å²	144	68.7 Å²	68.7	67%	0.673	32%	0.324	S	S	*	.	S	Bend	trans	-105.7	-39	172.9	-53.8	-179.6	29.9	0	0	111.3	E303	E303-Q339 WeakPolarHBondContact OE1-CA 3.22Å; E303-Q339 VanDerWaalsContact OE1-CB 3.3Å; E303-Q339 WeakPolarHBondContact OE1-CB 3.41Å; E303-Q339 PolarHBondContact OE1-N 2.69Å
340	R	96.1	Very high	93.8	Very high	105 Å²	105	72.1 Å²	72.1	40%	0.396	36%	0.356	S	S	.	.	S	Bend	trans	-108.2	-21.3	-174.6	-61.1	-64.7	-64	-99.6	-6.5	113.3	E303 I306 S314 L315	E303-R340 PolarHBondContact OE1-N 3Å; E303-R340 WeakPolarHBondContact OE2-CA 3.29Å; E303-R340 PolarHBondContact OE2-N 3.35Å; I306-R340 HydrophobicContact CD1-CB 3.9Å; I306-R340 HydrophobicContact CG2-CB 4.14Å; I306-R340 HydrophobicContact CG2-CG 3.82Å; S314-R340 WeakPolarHBondContact CA-O 3.26Å; S314-R340 VanDerWaalsContact CB-O 3.28Å; S314-R340 WeakPolarHBondContact CB-O 3.38Å; S314-R340 PolarHBondContact OG-NE 3.12Å; S314-R340 PolarHBondContact OG-O 3.08Å; S314-R340 VanDerWaalsContact OG-O 3.13Å; L315-R340 PolarHBondContact N-O 3.28Å
341	V	97.8	Very high	93.5	Very high	3 Å²	3	78.5 Å²	78.5	2%	0.018	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	138	169.6	177.7	0	0	0	0	110.5	L299 F302 E303 L315 F338 V343	L299-V341 HydrophobicContact CD1-CG1 4.36Å; L299-V341 HydrophobicContact CD2-CG1 4.28Å; F302-V341 HydrophobicContact CD1-CG2 4.15Å; E303-V341 HydrophobicContact CB-CG2 4.31Å; E303-V341 WeakPolarHBondContact OE2-CG2 3.46Å; E303-V341 PolarHBondContact OE2-N 3.41Å; L315-V341 HydrophobicContact CB-CG2 4.25Å; L315-V341 HydrophobicContact CD2-CG1 4.11Å; L315-V341 CarbonylContact O-C 3.47Å; L315-V341 WeakPolarHBondContact O-CA 3.48Å; F338-V341 HydrophobicContact CB-CB 3.97Å; F338-V341 WeakPolarHBondContact CB-O 3.1Å; F338-V341 HydrophobicContact CD1-CB 3.99Å; F338-V341 HydrophobicContact CD1-CG1 4.45Å; F338-V341 HydrophobicContact CD2-CB 4.32Å; F338-V341 HydrophobicContact CD2-CG1 4.14Å; F338-V341 HydrophobicContact CE2-CG1 4.37Å; F338-V341 HydrophobicContact CG-CB 3.86Å; F338-V341 HydrophobicContact CG-CG1 4.19Å; V341-V343 HydrophobicContact CG1-CG2 4.17Å
342	Q	97.3	Very high	93.4	Very high	65 Å²	65	71.7 Å²	71.7	30%	0.304	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	127	171.8	-62.2	-175.6	17.3	0	0	109.3	P243 L315 V316 C317	P243-Q342 HydrophobicContact CB-CB 4.04Å; P243-Q342 VanDerWaalsContact CB-OE1 3.28Å; P243-Q342 HydrophobicContact CG-CB 4.01Å; L315-Q342 PolarHBondContact O-N 3.04Å; V316-Q342 CarbonylContact C-O 3.5Å; V316-Q342 WeakPolarHBondContact CA-O 3.27Å; C317-Q342 PolarHBondContact N-O 2.83Å
343	V	97.4	Very high	93.4	Very high	27 Å²	27	71.7 Å²	71.7	16%	0.164	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	132.5	179.4	-172	0	0	0	0	109.4	L299 C317 I319 I333 F338 V341	L299-V343 HydrophobicContact CD1-CG2 4.14Å; C317-V343 HydrophobicContact CB-CG1 4.43Å; C317-V343 HydrophobicContact CB-CG2 4.16Å; C317-V343 CarbonylContact O-C 3.44Å; C317-V343 VanDerWaalsContact O-CA 3.29Å; C317-V343 WeakPolarHBondContact O-CA 3.44Å; I319-V343 HydrophobicContact CD1-CG1 3.86Å; I319-V343 HydrophobicContact CG1-CG1 4.37Å; I333-V343 HydrophobicContact CD1-CG1 3.94Å; I333-V343 HydrophobicContact CG1-CG1 4.22Å; I333-V343 HydrophobicContact CG2-CB 3.75Å; I333-V343 HydrophobicContact CG2-CG1 3.89Å; I333-V343 HydrophobicContact CG2-CG2 4.47Å; F338-V343 HydrophobicContact CD2-CG2 4.27Å; F338-V343 HydrophobicContact CE2-CG2 3.99Å; V341-V343 HydrophobicContact CG1-CG2 4.17Å
344	C	95.4	Very high	93.4	Very high	12 Å²	12	71.2 Å²	71.2	8%	0.081	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	153.4	172.4	65.1	0	0	0	0	112.1	P243 C317 V318 I319 P346	P243-C344 HydrophobicContact CG-CB 4.1Å; C317-C344 PolarHBondContact O-N 2.81Å; V318-C344 WeakPolarHBondContact CA-O 3.48Å; I319-C344 PolarHBondContact N-O 3.2Å; C344-P346 WeakPolarHBondContact O-CD 3.4Å
345	T	95.8	Very high	93.6	Very high	34 Å²	34	65.9 Å²	65.9	21%	0.209	33%	0.33	C	S	.	.			trans	-122.3	61	-176	59	0	0	0	0	112.7	W286 I319 R326 I333	W286-T345 HydrophobicContact CH2-CG2 4.19Å; W286-T345 HydrophobicContact CZ2-CG2 4.12Å; I319-T345 HydrophobicContact CB-CG2 4.23Å; I319-T345 WeakPolarHBondContact O-CA 3.32Å; I319-T345 WeakPolarHBondContact O-CB 3.47Å; R326-T345 PolarHBondContact NH2-O 3.26Å; I333-T345 HydrophobicContact CD1-CG2 4.15Å
346	P	93.7	Very high	93.8	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.006	30%	0.299	C	S	.	.			trans	-64.8	143	-176.2	30.7	-35.9	0	0	0	111.3	H241 V318 T320 C344 L348	H241-P346 WeakPolarHBondContact NE2-CB 3.38Å; V318-P346 HydrophobicContact CG1-CG 3.49Å; V318-P346 VanDerWaalsContact CG1-CG 3.49Å; T320-P346 PolarHBondContact OG1-O 3.15Å; C344-P346 WeakPolarHBondContact O-CD 3.4Å; P346-L348 HydrophobicContact CB-CD2 4.26Å; P346-L348 HydrophobicContact CG-CD2 4.33Å; P346-L348 HydrophobicContact CG-CG 4.44Å
347	W	88.5	Confident	94	Very high	141 Å²	141	56.5 Å²	56.5	53%	0.534	29%	0.287	S	S	.	.			trans	-81.4	123.1	159	-177.2	-101.3	0	0	0	107.7	K322	K322-W347 HydrophobicContact CB-CE3 4.43Å; K322-W347 HydrophobicContact CB-CH2 4.09Å; K322-W347 HydrophobicContact CB-CZ3 3.47Å; K322-W347 VanDerWaalsContact CB-CZ3 3.47Å; K322-W347 HydrophobicContact CD-CH2 4.1Å; K322-W347 HydrophobicContact CD-CZ3 4.15Å; K322-W347 HydrophobicContact CG-CZ3 4.43Å
348	L	89.5	Confident	94.4	Very high	15 Å²	15	50.7 Å²	50.7	8%	0.079	25%	0.248	C	C	.	.			trans	-106.4	137.9	179.5	-62.2	171.6	0	0	0	109.2	L237 T320 P346 D352 Y353 L356	L237-L348 HydrophobicContact CD2-CD2 3.99Å; T320-L348 HydrophobicContact CG2-CD1 3.85Å; T320-L348 WeakPolarHBondContact OG1-CD1 3.39Å; P346-L348 HydrophobicContact CB-CD2 4.26Å; P346-L348 HydrophobicContact CG-CD2 4.33Å; P346-L348 HydrophobicContact CG-CG 4.44Å; L348-D352 HydrophobicContact CB-CB 4.43Å; L348-D352 HydrophobicContact CD2-CB 4.36Å; L348-Y353 HydrophobicContact CD1-CD2 4.21Å; L348-L356 HydrophobicContact CD1-CB 4.25Å; L348-L356 HydrophobicContact CD1-CD2 3.42Å; L348-L356 VanDerWaalsContact CD1-CD2 3.42Å; L348-L356 HydrophobicContact CD1-CG 4.46Å
349	E	88.1	Confident	94.5	Very high	107 Å²	107	49 Å²	49	50%	0.5	24%	0.242	S	C	.	.			trans	-66.7	155.6	166.4	-60.1	-56.3	145.1	0	0	109.7	E351 D352 Y353	E349-E351 PolarHBondContact O-N 3.22Å; E349-E351 VanDerWaalsContact O-N 3.09Å; E349-D352 PolarHBondContact O-N 3.2Å; E349-Y353 PolarHBondContact O-N 3.21Å; E349-Y353 VanDerWaalsContact O-N 3.17Å
350	A	85.3	Confident	94.7	Very high	87 Å²	87	42.2 Å²	42.2	72%	0.719	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-31	-176.9	0	0	0	0	0	112.9	P354	A350-P354 WeakPolarHBondContact O-CD 3.35Å
351	E	89.7	Confident	94.8	Very high	159 Å²	159	37.9 Å²	37.9	74%	0.743	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-30.1	178.6	-64.5	145.9	-156.1	0	0	112.9	E349 L355	E349-E351 PolarHBondContact O-N 3.22Å; E349-E351 VanDerWaalsContact O-N 3.09Å; E351-L355 WeakPolarHBondContact O-CG 3.33Å
352	D	94.7	Very high	94.9	Very high	16 Å²	16	37.8 Å²	37.8	9%	0.086	19%	0.194	C	C	.	.	H	α-helix	trans	-80.5	-26.4	-179.6	-65.1	-40.5	0	0	0	111.8	L233 K236 L348 E349 L355 L356	L233-D352 HydrophobicContact CD1-CB 3.99Å; K236-D352 WeakPolarHBondContact CE-OD2 3.46Å; K236-D352 IonicContact NZ-OD1 2.8Å; K236-D352 PolarHBondContact NZ-OD1 2.9Å; K236-D352 IonicContact NZ-OD2 3.8Å; K236-D352 PolarHBondContact NZ-OD2 2.88Å; L348-D352 HydrophobicContact CB-CB 4.43Å; L348-D352 HydrophobicContact CD2-CB 4.36Å; E349-D352 PolarHBondContact O-N 3.2Å; D352-L355 WeakPolarHBondContact O-CB 3.5Å; D352-L355 PolarHBondContact O-N 2.94Å; D352-L356 PolarHBondContact O-N 3.27Å
353	Y	95.2	Very high	95	Very high	45 Å²	45	34.7 Å²	34.7	18%	0.176	18%	0.18	C	C	.	.	H	α-helix	trans	-60.6	-52.6	-176.5	174	-111.1	0	0	0	113.1	F222 S283 T320 L348 E349 L355 L356 L357	F222-Y353 AromaticContact CE1-CD1 3.95Å; F222-Y353 HydrophobicContact CE1-CD1 3.95Å; F222-Y353 AromaticContact CE1-CE1 3.84Å; F222-Y353 HydrophobicContact CE1-CE1 3.84Å; F222-Y353 HydrophobicContact CZ-CD1 4.28Å; F222-Y353 HydrophobicContact CZ-CE1 4.09Å; S283-Y353 WeakPolarHBondContact CB-OH 3.32Å; S283-Y353 PolarHBondContact OG-OH 2.87Å; S283-Y353 VanDerWaalsContact OG-OH 3.14Å; T320-Y353 HydrophobicContact CG2-CD2 4.09Å; T320-Y353 HydrophobicContact CG2-CE2 3.97Å; L348-Y353 HydrophobicContact CD1-CD2 4.21Å; E349-Y353 PolarHBondContact O-N 3.21Å; E349-Y353 VanDerWaalsContact O-N 3.17Å; Y353-L355 VanDerWaalsContact C-N 3.25Å; Y353-L355 PolarHBondContact O-N 3.41Å; Y353-L356 PolarHBondContact O-N 3.18Å; Y353-L357 HydrophobicContact CD1-CD1 4.46Å; Y353-L357 HydrophobicContact CD2-CG 4.41Å; Y353-L357 HydrophobicContact CE1-CD1 3.8Å; Y353-L357 HydrophobicContact CE1-CG 4.42Å; Y353-L357 HydrophobicContact CE2-CD1 4.12Å; Y353-L357 HydrophobicContact CE2-CD2 3.91Å; Y353-L357 HydrophobicContact CE2-CG 4Å; Y353-L357 WeakPolarHBondContact O-CG 3.39Å; Y353-L357 PolarHBondContact O-N 3.11Å
354	P	96.1	Very high	95	Very high	12 Å²	12	33.4 Å²	33.4	8%	0.078	17%	0.172	C	C	.	.	H	α-helix	trans	-59.4	-36.5	173.9	-22.7	32.9	0	0	0	112.6	F221 F222 A350 L356 L357 G358	F221-P354 HydrophobicContact CD2-CB 4.3Å; F221-P354 HydrophobicContact CD2-CG 3.73Å; F221-P354 HydrophobicContact CE2-CG 4.03Å; F222-P354 HydrophobicContact CD1-CB 3.84Å; F222-P354 HydrophobicContact CD1-CG 4.09Å; F222-P354 HydrophobicContact CE1-CB 4.02Å; F222-P354 HydrophobicContact CE1-CG 3.8Å; F222-P354 HydrophobicContact CZ-CG 4.45Å; A350-P354 WeakPolarHBondContact O-CD 3.35Å; P354-L356 PolarHBondContact O-N 2.88Å; P354-L357 PolarHBondContact O-N 3.31Å; P354-G358 PolarHBondContact O-N 3.22Å
355	L	97.9	Very high	95.1	Very high	48 Å²	48	33 Å²	33	25%	0.251	17%	0.169	S	C	.	.	H	α-helix	trans	-64.1	-41.6	178.4	-62.6	178.1	0	0	0	111.3	T225 L229 L233 E351 D352 Y353 S359	T225-L355 HydrophobicContact CG2-CB 4.32Å; T225-L355 HydrophobicContact CG2-CD2 3.86Å; T225-L355 WeakPolarHBondContact OG1-CA 3.27Å; T225-L355 PolarHBondContact OG1-O 2.9Å; L229-L355 HydrophobicContact CB-CD2 4.46Å; L229-L355 HydrophobicContact CD1-CD2 4.19Å; L233-L355 HydrophobicContact CD2-CB 3.87Å; E351-L355 WeakPolarHBondContact O-CG 3.33Å; D352-L355 WeakPolarHBondContact O-CB 3.5Å; D352-L355 PolarHBondContact O-N 2.94Å; Y353-L355 VanDerWaalsContact C-N 3.25Å; Y353-L355 PolarHBondContact O-N 3.41Å; L355-S359 WeakPolarHBondContact O-CB 3.41Å; L355-S359 PolarHBondContact O-N 3.02Å; L355-S359 VanDerWaalsContact O-N 3.09Å; L355-S359 PolarHBondContact O-OG 3.28Å
356	L	98.3	Very high	95.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.9	-47.5	176.3	-178.5	69.4	0	0	0	111.1	L233 L237 F244 L279 V281 V318 L348 D352 Y353 P354 G358 S359 A360	L233-L356 HydrophobicContact CD2-CB 3.99Å; L233-L356 HydrophobicContact CD2-CD1 4.32Å; L237-L356 HydrophobicContact CD1-CD1 4.36Å; F244-L356 HydrophobicContact CZ-CD1 4.32Å; L279-L356 HydrophobicContact CD2-CD1 4.21Å; V281-L356 HydrophobicContact CG1-CD2 4.26Å; V281-L356 HydrophobicContact CG2-CD1 4.47Å; V281-L356 HydrophobicContact CG2-CD2 4.17Å; V281-L356 HydrophobicContact CG2-CG 4.09Å; V318-L356 HydrophobicContact CB-CD2 4.38Å; V318-L356 HydrophobicContact CG1-CD2 3.66Å; L348-L356 HydrophobicContact CD1-CB 4.25Å; L348-L356 HydrophobicContact CD1-CD2 3.42Å; L348-L356 VanDerWaalsContact CD1-CD2 3.42Å; L348-L356 HydrophobicContact CD1-CG 4.46Å; D352-L356 PolarHBondContact O-N 3.27Å; Y353-L356 PolarHBondContact O-N 3.18Å; P354-L356 PolarHBondContact O-N 2.88Å; L356-G358 VanDerWaalsContact C-N 3.34Å; L356-G358 PolarHBondContact O-N 2.85Å; L356-S359 PolarHBondContact O-N 2.94Å; L356-A360 PolarHBondContact O-N 3.44Å
357	L	98.2	Very high	95.2	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-57.4	-47.9	177.9	-65.6	-169.4	0	0	0	111.3	F222 V281 Y353 P354 S359 A360 D381 M382 C385 L387	F222-L357 HydrophobicContact CD1-CD1 4.2Å; F222-L357 HydrophobicContact CE1-CD1 4Å; V281-L357 HydrophobicContact CG1-CD2 3.87Å; Y353-L357 HydrophobicContact CD1-CD1 4.46Å; Y353-L357 HydrophobicContact CD2-CG 4.41Å; Y353-L357 HydrophobicContact CE1-CD1 3.8Å; Y353-L357 HydrophobicContact CE1-CG 4.42Å; Y353-L357 HydrophobicContact CE2-CD1 4.12Å; Y353-L357 HydrophobicContact CE2-CD2 3.91Å; Y353-L357 HydrophobicContact CE2-CG 4Å; Y353-L357 WeakPolarHBondContact O-CG 3.39Å; Y353-L357 PolarHBondContact O-N 3.11Å; P354-L357 PolarHBondContact O-N 3.31Å; L357-S359 PolarHBondContact O-N 2.93Å; L357-A360 PolarHBondContact O-N 2.84Å; L357-D381 HydrophobicContact CD1-CB 3.9Å; L357-M382 HydrophobicContact CD1-CG 4.27Å; L357-M382 HydrophobicContact CD2-CE 4.48Å; L357-M382 HydrophobicContact CD2-CG 4.17Å; L357-C385 HydrophobicContact CB-CB 4.03Å; L357-L387 HydrophobicContact CD2-CD2 4.34Å
358	G	97.8	Very high	95.4	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.01	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-6.6	177	0	0	0	0	0	114.9	T225 P354 L356	T225-G358 PolarHBondContact N-O 3.36Å; T225-G358 VanDerWaalsContact OG1-C 3.25Å; T225-G358 VanDerWaalsContact OG1-CA 3.27Å; T225-G358 WeakPolarHBondContact OG1-CA 3.23Å; P354-G358 PolarHBondContact O-N 3.22Å; L356-G358 VanDerWaalsContact C-N 3.34Å; L356-G358 PolarHBondContact O-N 2.85Å
359	S	98.3	Very high	95.6	Very high	8 Å²	8	28.3 Å²	28.3	6%	0.056	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-16.6	174.2	-54.1	0	0	0	0	113.4	Q230 L355 L356 L357	Q230-S359 WeakPolarHBondContact CG-OG 3.48Å; L355-S359 WeakPolarHBondContact O-CB 3.41Å; L355-S359 PolarHBondContact O-N 3.02Å; L355-S359 VanDerWaalsContact O-N 3.09Å; L355-S359 PolarHBondContact O-OG 3.28Å; L356-S359 PolarHBondContact O-N 2.94Å; L357-S359 PolarHBondContact O-N 2.93Å
360	A	98.4	Very high	95.7	Very high	1 Å²	1	25 Å²	25	1%	0.008	14%	0.144	C	C	.	.			trans	-76.3	158.6	-174.5	0	0	0	0	0	112.7	L279 V281 L356 L357 L387 R438	L279-A360 HydrophobicContact CD2-CB 4.33Å; L279-A360 HydrophobicContact CG-CB 4.15Å; V281-A360 HydrophobicContact CB-CB 4.16Å; V281-A360 HydrophobicContact CG2-CB 3.48Å; V281-A360 VanDerWaalsContact CG2-CB 3.48Å; L356-A360 PolarHBondContact O-N 3.44Å; L357-A360 PolarHBondContact O-N 2.84Å; A360-L387 HydrophobicContact CB-CD1 3.73Å; A360-L387 HydrophobicContact CB-CD2 3.91Å; A360-L387 VanDerWaalsContact O-CD1 3.29Å; A360-L387 WeakPolarHBondContact O-CD1 3.37Å; A360-R438 PolarHBondContact O-NH2 3.39Å
361	D	98.4	Very high	96.1	Very high	13 Å²	13	22.2 Å²	22.2	7%	0.07	12%	0.119	C	C	.	.	S	Bend	trans	-89.4	-44.5	178.3	-66.3	-57.9	0	0	0	111.2	R276 L279 F424 F427 L434 R438	R276-D361 IonicContact CZ-OD1 3.56Å; R276-D361 IonicContact CZ-OD2 3.56Å; R276-D361 IonicContact NH1-OD1 2.87Å; R276-D361 IonicContact NH1-OD2 3.58Å; R276-D361 PolarHBondContact NH1-OD2 2.72Å; R276-D361 IonicContact NH2-OD1 2.61Å; R276-D361 PolarHBondContact NH2-OD1 3.49Å; R276-D361 IonicContact NH2-OD2 2.73Å; R276-D361 PolarHBondContact NH2-OD2 3.29Å; L279-D361 PolarHBondContact N-OD2 2.96Å; L279-D361 WeakPolarHBondContact O-CB 3.31Å; L279-D361 PolarHBondContact O-N 3.46Å; D361-F424 HydrophobicContact CB-CE1 4.18Å; D361-F427 HydrophobicContact CB-CE2 4.22Å; D361-F427 HydrophobicContact CB-CZ 4.34Å; D361-F427 WeakPolarHBondContact OD2-CZ 3.41Å; D361-L434 HydrophobicContact CB-CD2 3.99Å; D361-L434 WeakPolarHBondContact O-CD1 3.03Å; D361-R438 PolarHBondContact O-NH2 3.45Å
362	L	98.8	Very high	96.4	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	138.3	-179.1	-179.2	64.9	0	0	0	111.1	L279 L280 V281 L420 L423 F424 L434	L279-L362 PolarHBondContact O-N 3.2Å; L280-L362 WeakPolarHBondContact CA-O 3.4Å; L280-L362 HydrophobicContact CD1-CB 3.71Å; L280-L362 HydrophobicContact CD1-CD2 3.63Å; L280-L362 HydrophobicContact CD1-CG 3.71Å; V281-L362 PolarHBondContact N-O 2.66Å; L362-L420 HydrophobicContact CD2-CD2 3.65Å; L362-L423 HydrophobicContact CD1-CD1 3.83Å; L362-L423 HydrophobicContact CD2-CD1 3.69Å; L362-L423 HydrophobicContact CG-CD1 4.43Å; L362-F424 HydrophobicContact CB-CE2 4.46Å; L362-F424 HydrophobicContact CB-CZ 3.75Å; L362-F424 HydrophobicContact CD2-CE2 3.8Å; L362-F424 HydrophobicContact CD2-CZ 3.93Å; L362-L434 HydrophobicContact CB-CD1 4.1Å; L362-L434 HydrophobicContact CD1-CD1 3.93Å
363	G	98.7	Very high	96.4	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	145.9	167.7	0	0	0	0	0	112.3	V281 P388 V389 C390	V281-G363 CarbonylContact O-C 3.55Å; V281-G363 VanDerWaalsContact O-CA 3.28Å; V281-G363 WeakPolarHBondContact O-CA 3.47Å; G363-P388 PolarHBondContact N-O 2.87Å; G363-V389 CarbonylContact O-C 3.58Å; G363-V389 VanDerWaalsContact O-CA 3.25Å; G363-V389 WeakPolarHBondContact O-CA 2.99Å; G363-C390 PolarHBondContact O-N 2.56Å
364	V	98.6	Very high	96.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	123.1	167.9	-180	0	0	0	0	109.7	L280 V281 S282 L295 L366 C390 F410 L416	L280-V364 HydrophobicContact CD1-CG2 3.59Å; L280-V364 HydrophobicContact CD2-CG2 4.11Å; L280-V364 HydrophobicContact CG-CG2 4.01Å; V281-V364 PolarHBondContact O-N 2.88Å; S282-V364 WeakPolarHBondContact CB-O 3.36Å; S282-V364 PolarHBondContact OG-O 2.77Å; L295-V364 HydrophobicContact CD1-CG1 4.33Å; L295-V364 HydrophobicContact CD1-CG2 4.39Å; V364-L366 HydrophobicContact CG1-CG 4.33Å; V364-C390 CarbonylContact C-O 3.52Å; V364-C390 WeakPolarHBondContact CA-O 3.24Å; V364-F410 HydrophobicContact CG1-CE1 4.44Å; V364-F410 HydrophobicContact CG1-CZ 4.41Å; V364-L416 HydrophobicContact CG1-CD2 4.3Å
365	C	98.2	Very high	96.4	Very high	3 Å²	3	13.7 Å²	13.7	2%	0.02	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	117.7	176.5	-169.2	0	0	0	0	111	P376 V379 C390 A391 V392	C365-P376 VanDerWaalsContact SG-CB 3.6Å; C365-V379 HydrophobicContact CB-CG2 3.46Å; C365-V379 VanDerWaalsContact CB-CG2 3.46Å; C365-C390 PolarHBondContact N-O 3.43Å; C365-A391 HydrophobicContact CB-CB 4.11Å; C365-A391 WeakPolarHBondContact O-CA 3.17Å; C365-V392 PolarHBondContact O-N 2.92Å
366	L	97.1	Very high	96.2	Very high	5 Å²	5	11.5 Å²	11.5	3%	0.026	7%	0.072	C	C	.	.			trans	-103	0.9	176.9	-67.5	163.5	0	0	0	112.6	E290 F292 I294 L295 V364 T368 V392 F410	E290-L366 HydrophobicContact CB-CB 4.48Å; F292-L366 HydrophobicContact CB-CD1 4.34Å; F292-L366 HydrophobicContact CD1-CD1 3.66Å; F292-L366 HydrophobicContact CD2-CD1 3.95Å; F292-L366 HydrophobicContact CE1-CD1 3.76Å; F292-L366 HydrophobicContact CE2-CD1 4.03Å; F292-L366 HydrophobicContact CG-CD1 3.74Å; F292-L366 HydrophobicContact CZ-CD1 3.94Å; I294-L366 HydrophobicContact CB-CD2 4.05Å; I294-L366 HydrophobicContact CG2-CD2 4.21Å; L295-L366 HydrophobicContact CB-CD1 3.91Å; V364-L366 HydrophobicContact CG1-CG 4.33Å; L366-T368 PolarHBondContact O-N 3.16Å; L366-V392 VanDerWaalsContact C-CG1 3.45Å; L366-V392 WeakPolarHBondContact O-CG1 3.39Å; L366-F410 HydrophobicContact CD2-CE2 4.12Å; L366-F410 HydrophobicContact CD2-CZ 3.84Å
367	H	94.3	Very high	95.8	Very high	30 Å²	30	14.7 Å²	14.7	14%	0.139	9%	0.088	C	C	.	.	B	Isolated β-bridge	trans	-71.9	126.1	-176.7	175.8	79.8	0	0	0	110.6	D289 E290 P376	D289-H367 IonicContact OD2-CE1 3.68Å; D289-H367 PolarHBondContact OD2-CE1 2.95Å; D289-H367 IonicContact OD2-CG 3.88Å; D289-H367 IonicContact OD2-ND1 3.54Å; D289-H367 PolarHBondContact OD2-ND1 2.62Å; E290-H367 HydrophobicContact CG-CB 3.93Å; H367-P376 HydrophobicContact CB-CB 4.29Å
368	T	92.7	Very high	95.6	Very high	48 Å²	48	16.4 Å²	16.4	29%	0.294	10%	0.095	S	C	.	.			trans	-112.4	145.2	169.7	58	0	0	0	0	110.4	D289 L366 V392 F394	D289-T368 PolarHBondContact O-N 2.89Å; D289-T368 PolarHBondContact O-OG1 3.22Å; D289-T368 VanDerWaalsContact O-OG1 3.14Å; L366-T368 PolarHBondContact O-N 3.16Å; T368-V392 HydrophobicContact CG2-CG1 3.6Å; T368-V392 HydrophobicContact CG2-CG2 4.46Å; T368-F394 HydrophobicContact CG2-CD1 4.41Å
369	S	92.5	Very high	95.5	Very high	11 Å²	11	16.3 Å²	16.3	8%	0.077	10%	0.095	C	C	.	.			trans	-79.8	132.4	175.3	174.2	0	0	0	0	111.3	N158 S371 G372 L373 D374	N158-S369 PolarHBondContact ND2-OG 3.01Å; S369-S371 PolarHBondContact O-N 3.26Å; S369-S371 VanDerWaalsContact O-N 3.1Å; S369-S371 PolarHBondContact OG-N 2.67Å; S369-S371 PolarHBondContact OG-OG 3.13Å; S369-G372 PolarHBondContact O-N 3.41Å; S369-G372 PolarHBondContact OG-N 2.81Å; S369-L373 PolarHBondContact OG-N 2.77Å; S369-D374 WeakPolarHBondContact CB-O 3.49Å; S369-D374 VanDerWaalsContact OG-CB 3.23Å; S369-D374 WeakPolarHBondContact OG-CB 3.49Å; S369-D374 PolarHBondContact OG-N 3.26Å
370	S	91.3	Very high	95.4	Very high	38 Å²	38	16.3 Å²	16.3	27%	0.266	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-27.9	174.8	70.6	0	0	0	0	114.3	N158 S162	N158-S370 PolarHBondContact OD1-OG 3.1Å; S162-S370 PolarHBondContact OG-OG 3.04Å
371	S	93.2	Very high	95.2	Very high	28 Å²	28	17.7 Å²	17.7	20%	0.196	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-13.2	174	57.5	0	0	0	0	112.9	N158 S369 L373	N158-S371 VanDerWaalsContact OD1-CB 3.29Å; N158-S371 WeakPolarHBondContact OD1-CB 3.37Å; N158-S371 PolarHBondContact OD1-OG 2.78Å; S369-S371 PolarHBondContact O-N 3.26Å; S369-S371 VanDerWaalsContact O-N 3.1Å; S369-S371 PolarHBondContact OG-N 2.67Å; S369-S371 PolarHBondContact OG-OG 3.13Å; S371-L373 PolarHBondContact O-N 3.47Å; S371-L373 PolarHBondContact OG-N 2.84Å
372	G	95.3	Very high	95.1	Very high	11 Å²	11	17.1 Å²	17.1	11%	0.113	10%	0.098	C	C	.	.	S	Bend	trans	72.4	10.6	-168	0	0	0	0	0	114.2	S369 K395 C396	S369-G372 PolarHBondContact O-N 3.41Å; S369-G372 PolarHBondContact OG-N 2.81Å; G372-K395 WeakPolarHBondContact O-CB 3.26Å; G372-C396 PolarHBondContact O-N 3.38Å; G372-C396 PolarHBondContact O-SG 3.07Å; G372-C396 VanDerWaalsContact O-SG 3.33Å
373	L	96.4	Very high	95.1	Very high	4 Å²	4	17.2 Å²	17.2	2%	0.021	10%	0.099	C	C	.	.			trans	-120.3	1.7	-170.1	-59.2	174.8	0	0	0	114.2	Y159 T196 A198 M199 D202 S369 S371 K395 C396	Y159-L373 HydrophobicContact CD2-CD1 4.44Å; Y159-L373 HydrophobicContact CE2-CD1 3.63Å; T196-L373 VanDerWaalsContact CG2-O 3.31Å; T196-L373 WeakPolarHBondContact CG2-O 3.41Å; T196-L373 PolarHBondContact OG1-O 3.27Å; A198-L373 HydrophobicContact CB-CD2 3.78Å; M199-L373 HydrophobicContact CB-CB 4.08Å; M199-L373 HydrophobicContact CE-CB 3.76Å; D202-L373 HydrophobicContact CB-CD1 3.72Å; S369-L373 PolarHBondContact OG-N 2.77Å; S371-L373 PolarHBondContact O-N 3.47Å; S371-L373 PolarHBondContact OG-N 2.84Å; L373-K395 HydrophobicContact CD2-CD 3.91Å; L373-C396 VanDerWaalsContact CA-SG 3.56Å
374	D	94.9	Very high	94.9	Very high	26 Å²	26	17.5 Å²	17.5	14%	0.139	10%	0.101	C	C	.	.			trans	-111.5	144.5	-179.3	-171.7	8.8	0	0	0	109.5	H157 N158 S369 F394	H157-D374 VanDerWaalsContact O-CB 3.26Å; H157-D374 WeakPolarHBondContact O-CB 3.36Å; N158-D374 WeakPolarHBondContact ND2-CB 2.99Å; N158-D374 PolarHBondContact ND2-OD2 2.94Å; S369-D374 WeakPolarHBondContact CB-O 3.49Å; S369-D374 VanDerWaalsContact OG-CB 3.23Å; S369-D374 WeakPolarHBondContact OG-CB 3.49Å; S369-D374 PolarHBondContact OG-N 3.26Å; D374-F394 WeakPolarHBondContact O-CE2 3.29Å; D374-F394 VanDerWaalsContact O-CZ 3.29Å; D374-F394 WeakPolarHBondContact O-CZ 3.45Å
375	L	95.1	Very high	94.8	Very high	11 Å²	11	17.5 Å²	17.5	6%	0.058	10%	0.101	C	C	.	.			trans	-99.2	144.8	-177.3	-74.7	170.5	0	0	0	111.2	T196 Y215 M377 C396 E399 L400	T196-L375 HydrophobicContact CG2-CB 4.46Å; T196-L375 HydrophobicContact CG2-CD1 3.6Å; T196-L375 HydrophobicContact CG2-CD2 4.41Å; T196-L375 HydrophobicContact CG2-CG 3.48Å; T196-L375 VanDerWaalsContact CG2-CG 3.48Å; Y215-L375 HydrophobicContact CD1-CD1 4.14Å; Y215-L375 HydrophobicContact CE1-CD1 4.32Å; L375-M377 PolarHBondContact O-N 3.13Å; L375-C396 WeakPolarHBondContact CD2-O 3.29Å; L375-E399 HydrophobicContact CD1-CB 4.35Å; L375-L400 HydrophobicContact CB-CD2 4.27Å; L375-L400 HydrophobicContact CD1-CB 4.05Å; L375-L400 HydrophobicContact CD2-CB 3.7Å; L375-L400 HydrophobicContact CD2-CD2 4.4Å; L375-L400 HydrophobicContact CG-CB 4.38Å
376	P	93.6	Very high	94.7	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.019	11%	0.106	C	C	.	.			trans	-68.8	105	176.9	26.8	-33.9	0	0	0	110.5	C365 H367 K378 V379 V380 L397 L400	C365-P376 VanDerWaalsContact SG-CB 3.6Å; H367-P376 HydrophobicContact CB-CB 4.29Å; P376-K378 PolarHBondContact O-N 3.45Å; P376-V379 HydrophobicContact CB-CB 4.43Å; P376-V379 HydrophobicContact CB-CG2 4.04Å; P376-V379 HydrophobicContact CG-CB 3.99Å; P376-V379 HydrophobicContact CG-CG2 3.64Å; P376-V379 PolarHBondContact O-N 3.47Å; P376-V380 PolarHBondContact O-N 2.84Å; P376-L397 HydrophobicContact CG-CD1 4.23Å; P376-L400 HydrophobicContact CG-CD2 4.17Å
377	M	91.2	Very high	94.8	Very high	67 Å²	67	17.9 Å²	17.9	33%	0.33	11%	0.105	S	C	.	.	H	α-helix	trans	-53.4	-30.4	173.1	-66.4	-169	68.5	0	0	112.6	P47 L375 V379 V380 D381	P47-M377 HydrophobicContact CG-CE 3.8Å; P47-M377 HydrophobicContact CG-SD 4.37Å; L375-M377 PolarHBondContact O-N 3.13Å; M377-V379 VanDerWaalsContact C-N 3.28Å; M377-V379 PolarHBondContact O-N 3.44Å; M377-V380 WeakPolarHBondContact O-CA 3.42Å; M377-V380 VanDerWaalsContact O-CB 3.23Å; M377-V380 WeakPolarHBondContact O-CB 3.5Å; M377-V380 PolarHBondContact O-N 3.14Å; M377-D381 PolarHBondContact O-N 2.86Å
378	K	92.6	Very high	95	Very high	35 Å²	35	16.5 Å²	16.5	15%	0.152	10%	0.098	C	C	.	.	H	α-helix	trans	-59.7	-36.7	176	-66	169.9	179.5	127.1	0	112.7	S283 S285 E290 P376 V380 D381 M382	S283-K378 VanDerWaalsContact O-CD 3.29Å; S283-K378 WeakPolarHBondContact O-CD 3.38Å; S283-K378 WeakPolarHBondContact OG-CB 3.38Å; S285-K378 PolarHBondContact OG-NZ 2.89Å; E290-K378 IonicContact OE1-NZ 3.84Å; E290-K378 PolarHBondContact OE1-NZ 2.84Å; E290-K378 IonicContact OE2-NZ 3.75Å; P376-K378 PolarHBondContact O-N 3.45Å; K378-V380 VanDerWaalsContact C-N 3.34Å; K378-D381 PolarHBondContact O-N 3.34Å; K378-M382 VanDerWaalsContact O-CG 3.23Å; K378-M382 WeakPolarHBondContact O-CG 3.42Å; K378-M382 PolarHBondContact O-N 2.89Å
379	V	96.6	Very high	95.2	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-71.1	-34.9	175.1	172.6	0	0	0	0	110.6	C365 P376 M377 D381 M382 F383 V389 L400 V401	C365-V379 HydrophobicContact CB-CG2 3.46Å; C365-V379 VanDerWaalsContact CB-CG2 3.46Å; P376-V379 HydrophobicContact CB-CB 4.43Å; P376-V379 HydrophobicContact CB-CG2 4.04Å; P376-V379 HydrophobicContact CG-CB 3.99Å; P376-V379 HydrophobicContact CG-CG2 3.64Å; P376-V379 PolarHBondContact O-N 3.47Å; M377-V379 VanDerWaalsContact C-N 3.28Å; M377-V379 PolarHBondContact O-N 3.44Å; V379-D381 VanDerWaalsContact C-N 3.31Å; V379-D381 PolarHBondContact O-N 3.41Å; V379-M382 PolarHBondContact O-N 3.35Å; V379-F383 HydrophobicContact CG1-CD1 4.31Å; V379-F383 HydrophobicContact CG1-CD2 3.91Å; V379-F383 HydrophobicContact CG1-CE1 4.09Å; V379-F383 HydrophobicContact CG1-CE2 3.63Å; V379-F383 HydrophobicContact CG1-CG 4.26Å; V379-F383 HydrophobicContact CG1-CZ 3.75Å; V379-F383 WeakPolarHBondContact O-CB 3.23Å; V379-F383 WeakPolarHBondContact O-CG 3.32Å; V379-F383 PolarHBondContact O-N 3.43Å; V379-V389 HydrophobicContact CG1-CG1 4.32Å; V379-V389 HydrophobicContact CG1-CG2 3.91Å; V379-V389 HydrophobicContact CG2-CG2 4.43Å; V379-L400 HydrophobicContact CB-CD2 3.72Å; V379-L400 HydrophobicContact CB-CG 4.48Å; V379-L400 HydrophobicContact CG1-CD2 3.66Å; V379-L400 HydrophobicContact CG1-CG 3.87Å; V379-V401 HydrophobicContact CG1-CG2 3.81Å
380	V	95.2	Very high	95.5	Very high	7 Å²	7	13.7 Å²	13.7	4%	0.042	8%	0.081	C	C	.	.	H	α-helix	trans	-58.7	-45.5	173.3	-177.5	0	0	0	0	110.3	D216 K217 P218 P376 M377 K378 F383 G384 L400	D216-V380 HydrophobicContact CB-CG2 4.34Å; K217-V380 VanDerWaalsContact C-CG1 3.46Å; P218-V380 HydrophobicContact CB-CG1 4.21Å; P218-V380 HydrophobicContact CG-CG1 4.4Å; P218-V380 VanDerWaalsContact N-CG1 3.31Å; P376-V380 PolarHBondContact O-N 2.84Å; M377-V380 WeakPolarHBondContact O-CA 3.42Å; M377-V380 VanDerWaalsContact O-CB 3.23Å; M377-V380 WeakPolarHBondContact O-CB 3.5Å; M377-V380 PolarHBondContact O-N 3.14Å; K378-V380 VanDerWaalsContact C-N 3.34Å; V380-F383 PolarHBondContact O-N 3.37Å; V380-G384 PolarHBondContact O-N 2.79Å; V380-L400 HydrophobicContact CG2-CD1 4.07Å; V380-L400 HydrophobicContact CG2-CD2 3.86Å
381	D	94.6	Very high	95.9	Very high	30 Å²	30	12 Å²	12	16%	0.16	7%	0.069	C	C	.	.	H	α-helix	trans	-62.2	-45	176.3	-65.4	-13.2	0	0	0	111.9	F222 L357 M377 K378 V379 G384 C385	F222-D381 HydrophobicContact CD1-CB 3.99Å; F222-D381 HydrophobicContact CD2-CB 4.36Å; F222-D381 HydrophobicContact CE1-CB 3.67Å; F222-D381 HydrophobicContact CE2-CB 4.04Å; F222-D381 VanDerWaalsContact CE2-CG 3.46Å; F222-D381 WeakPolarHBondContact CE2-OD1 3.44Å; F222-D381 HydrophobicContact CG-CB 4.32Å; F222-D381 HydrophobicContact CZ-CB 3.68Å; F222-D381 WeakPolarHBondContact CZ-OD2 3.46Å; L357-D381 HydrophobicContact CD1-CB 3.9Å; M377-D381 PolarHBondContact O-N 2.86Å; K378-D381 PolarHBondContact O-N 3.34Å; V379-D381 VanDerWaalsContact C-N 3.31Å; V379-D381 PolarHBondContact O-N 3.41Å; D381-G384 PolarHBondContact O-N 3.32Å; D381-C385 PolarHBondContact O-N 3.06Å
382	M	97.3	Very high	96.1	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-60.1	-46.2	176.3	-67.6	177.4	-175	0	0	111.6	S283 L357 K378 V379 G384 C385 C386 L387 V389	S283-M382 WeakPolarHBondContact OG-CE 3.41Å; L357-M382 HydrophobicContact CD1-CG 4.27Å; L357-M382 HydrophobicContact CD2-CE 4.48Å; L357-M382 HydrophobicContact CD2-CG 4.17Å; K378-M382 VanDerWaalsContact O-CG 3.23Å; K378-M382 WeakPolarHBondContact O-CG 3.42Å; K378-M382 PolarHBondContact O-N 2.89Å; V379-M382 PolarHBondContact O-N 3.35Å; M382-G384 VanDerWaalsContact C-N 3.34Å; M382-G384 PolarHBondContact O-N 3.19Å; M382-C385 CarbonylContact O-C 3.44Å; M382-C385 WeakPolarHBondContact O-CA 3.47Å; M382-C385 WeakPolarHBondContact O-CB 3.33Å; M382-C385 PolarHBondContact O-N 3.05Å; M382-C386 PolarHBondContact O-N 3.25Å; M382-L387 HydrophobicContact CB-CB 4.12Å; M382-L387 HydrophobicContact CB-CD2 4.1Å; M382-L387 HydrophobicContact CB-CG 4.36Å; M382-L387 HydrophobicContact CG-CD2 3.9Å; M382-L387 VanDerWaalsContact O-CB 3.28Å; M382-L387 WeakPolarHBondContact O-CB 3.39Å; M382-L387 PolarHBondContact O-N 3.26Å; M382-L387 HydrophobicContact SD-CD2 4.36Å; M382-V389 HydrophobicContact CB-CG1 3.8Å; M382-V389 HydrophobicContact CG-CG1 4.31Å; M382-V389 HydrophobicContact SD-CG1 3.55Å; M382-V389 VanDerWaalsContact SD-CG1 3.55Å
383	F	97.1	Very high	96.2	Very high	4 Å²	4	13.8 Å²	13.8	2%	0.018	7%	0.074	C	C	.	.	H	α-helix	trans	-65.3	-35.4	176.6	-72.9	-9.5	0	0	0	112.9	V379 V380 C385 C386 L387 V389 L400 V401 N406 L441	V379-F383 HydrophobicContact CG1-CD1 4.31Å; V379-F383 HydrophobicContact CG1-CD2 3.91Å; V379-F383 HydrophobicContact CG1-CE1 4.09Å; V379-F383 HydrophobicContact CG1-CE2 3.63Å; V379-F383 HydrophobicContact CG1-CG 4.26Å; V379-F383 HydrophobicContact CG1-CZ 3.75Å; V379-F383 WeakPolarHBondContact O-CB 3.23Å; V379-F383 WeakPolarHBondContact O-CG 3.32Å; V379-F383 PolarHBondContact O-N 3.43Å; V380-F383 PolarHBondContact O-N 3.37Å; F383-C385 PolarHBondContact O-N 3.25Å; F383-C386 WeakPolarHBondContact O-CA 3.44Å; F383-C386 PolarHBondContact O-N 2.8Å; F383-L387 WeakPolarHBondContact CD1-O 3.18Å; F383-V389 HydrophobicContact CD1-CG1 4.25Å; F383-V389 HydrophobicContact CE1-CB 4.3Å; F383-V389 HydrophobicContact CE1-CG1 3.87Å; F383-V389 HydrophobicContact CE1-CG2 3.65Å; F383-V389 HydrophobicContact CZ-CG2 3.76Å; F383-L400 HydrophobicContact CD2-CD1 3.92Å; F383-L400 HydrophobicContact CD2-CG 4.41Å; F383-L400 HydrophobicContact CE2-CD1 4.04Å; F383-L400 HydrophobicContact CE2-CG 4.11Å; F383-L400 WeakPolarHBondContact CE2-O 3.16Å; F383-V401 HydrophobicContact CE2-CG2 4.34Å; F383-V401 HydrophobicContact CZ-CG2 4.09Å; F383-N406 WeakPolarHBondContact CE1-O 3.32Å; F383-N406 HydrophobicContact CZ-CB 4.16Å; F383-L441 HydrophobicContact CB-CD2 3.99Å; F383-L441 HydrophobicContact CD1-CD1 3.84Å; F383-L441 HydrophobicContact CD1-CD2 3.64Å; F383-L441 HydrophobicContact CD1-CG 4.41Å; F383-L441 HydrophobicContact CD2-CD2 4.22Å; F383-L441 HydrophobicContact CE1-CD1 4.17Å; F383-L441 HydrophobicContact CE1-CD2 4.08Å; F383-L441 HydrophobicContact CG-CD2 3.71Å
384	G	95.3	Very high	96.2	Very high	5 Å²	5	14.7 Å²	14.7	5%	0.052	8%	0.078	C	C	.	.	H	α-helix	trans	-56.3	-33.3	169.8	0	0	0	0	0	112.8	F222 K223 V380 D381 M382 C386	F222-G384 CarbonylContact C-O 3.59Å; F222-G384 VanDerWaalsContact C-O 3.31Å; F222-G384 CarbonylContact O-C 3.6Å; K223-G384 WeakPolarHBondContact CA-O 3.24Å; V380-G384 PolarHBondContact O-N 2.79Å; D381-G384 PolarHBondContact O-N 3.32Å; M382-G384 VanDerWaalsContact C-N 3.34Å; M382-G384 PolarHBondContact O-N 3.19Å; G384-C386 VanDerWaalsContact C-N 3.32Å
385	C	96.5	Very high	96.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	8.1	174.4	-75.2	0	0	0	0	114.8	K223 E224 L357 D381 M382 F383 L387	K223-C385 PolarHBondContact N-SG 3.3Å; K223-C385 VanDerWaalsContact N-SG 3.41Å; K223-C385 PolarHBondContact O-SG 2.79Å; E224-C385 VanDerWaalsContact CG-O 3.23Å; E224-C385 WeakPolarHBondContact CG-O 3.38Å; L357-C385 HydrophobicContact CB-CB 4.03Å; D381-C385 PolarHBondContact O-N 3.06Å; M382-C385 CarbonylContact O-C 3.44Å; M382-C385 WeakPolarHBondContact O-CA 3.47Å; M382-C385 WeakPolarHBondContact O-CB 3.33Å; M382-C385 PolarHBondContact O-N 3.05Å; F383-C385 PolarHBondContact O-N 3.25Å; C385-L387 PolarHBondContact O-N 2.94Å
386	C	96.8	Very high	96.3	Very high	17 Å²	17	19.1 Å²	19.1	12%	0.115	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	33.3	-170.3	-54	0	0	0	0	112.7	E224 M382 F383 G384 P388 R438 L441 R442	E224-C386 HydrophobicContact CG-CB 3.64Å; M382-C386 PolarHBondContact O-N 3.25Å; F383-C386 WeakPolarHBondContact O-CA 3.44Å; F383-C386 PolarHBondContact O-N 2.8Å; G384-C386 VanDerWaalsContact C-N 3.32Å; C386-P388 WeakPolarHBondContact O-CD 3.31Å; C386-R438 HydrophobicContact CB-CG 4.29Å; C386-R438 WeakPolarHBondContact O-CG 3.47Å; C386-R438 PolarHBondContact O-NH1 3.26Å; C386-L441 HydrophobicContact CB-CB 4.29Å; C386-R442 HydrophobicContact CB-CG 4.27Å
387	L	98.1	Very high	96.4	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.094	C	C	.	.			trans	-91	111.1	175.9	179	63.4	0	0	0	108.6	L357 A360 M382 F383 C385	L357-L387 HydrophobicContact CD2-CD2 4.34Å; A360-L387 HydrophobicContact CB-CD1 3.73Å; A360-L387 HydrophobicContact CB-CD2 3.91Å; A360-L387 VanDerWaalsContact O-CD1 3.29Å; A360-L387 WeakPolarHBondContact O-CD1 3.37Å; M382-L387 HydrophobicContact CB-CB 4.12Å; M382-L387 HydrophobicContact CB-CD2 4.1Å; M382-L387 HydrophobicContact CB-CG 4.36Å; M382-L387 HydrophobicContact CG-CD2 3.9Å; M382-L387 VanDerWaalsContact O-CB 3.28Å; M382-L387 WeakPolarHBondContact O-CB 3.39Å; M382-L387 PolarHBondContact O-N 3.26Å; M382-L387 HydrophobicContact SD-CD2 4.36Å; F383-L387 WeakPolarHBondContact CD1-O 3.18Å; C385-L387 PolarHBondContact O-N 2.94Å
388	P	98.1	Very high	96.7	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.103	C	C	.	.			trans	-62.6	154.8	172.8	28	-36	0	0	0	110.7	G363 C386 L434 F437 L441	G363-P388 PolarHBondContact N-O 2.87Å; C386-P388 WeakPolarHBondContact O-CD 3.31Å; P388-L434 HydrophobicContact CG-CD1 3.65Å; P388-L434 HydrophobicContact CG-CG 4.2Å; P388-F437 HydrophobicContact CB-CB 3.63Å; P388-F437 HydrophobicContact CB-CD2 4.13Å; P388-F437 HydrophobicContact CB-CG 4.4Å; P388-F437 HydrophobicContact CG-CB 4.38Å; P388-L441 HydrophobicContact CB-CD1 4.45Å
389	V	98.4	Very high	96.9	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.006	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	148.1	-175.2	-53.2	0	0	0	0	113	G363 V379 M382 F383 A391 V401 G407 L408	G363-V389 CarbonylContact O-C 3.58Å; G363-V389 VanDerWaalsContact O-CA 3.25Å; G363-V389 WeakPolarHBondContact O-CA 2.99Å; V379-V389 HydrophobicContact CG1-CG1 4.32Å; V379-V389 HydrophobicContact CG1-CG2 3.91Å; V379-V389 HydrophobicContact CG2-CG2 4.43Å; M382-V389 HydrophobicContact CB-CG1 3.8Å; M382-V389 HydrophobicContact CG-CG1 4.31Å; M382-V389 HydrophobicContact SD-CG1 3.55Å; M382-V389 VanDerWaalsContact SD-CG1 3.55Å; F383-V389 HydrophobicContact CD1-CG1 4.25Å; F383-V389 HydrophobicContact CE1-CB 4.3Å; F383-V389 HydrophobicContact CE1-CG1 3.87Å; F383-V389 HydrophobicContact CE1-CG2 3.65Å; F383-V389 HydrophobicContact CZ-CG2 3.76Å; V389-A391 HydrophobicContact CG2-CB 4.39Å; V389-V401 HydrophobicContact CG2-CG1 4.24Å; V389-V401 HydrophobicContact CG2-CG2 3.88Å; V389-G407 CarbonylContact O-C 3.55Å; V389-G407 WeakPolarHBondContact O-CA 3.22Å; V389-L408 PolarHBondContact O-N 2.77Å
390	C	98.8	Very high	96.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	125.7	153.2	-72.8	0	0	0	0	108	G363 V364 C365 L408 F410 L416 Q419	G363-C390 PolarHBondContact O-N 2.56Å; V364-C390 CarbonylContact C-O 3.52Å; V364-C390 WeakPolarHBondContact CA-O 3.24Å; C365-C390 PolarHBondContact N-O 3.43Å; C390-L408 CarbonylContact C-O 3.58Å; C390-L408 WeakPolarHBondContact CA-O 3.43Å; C390-F410 HydrophobicContact CB-CD1 3.97Å; C390-F410 HydrophobicContact CB-CE1 3.95Å; C390-L416 HydrophobicContact CB-CD1 3.75Å; C390-Q419 PolarHBondContact SG-OE1 3.07Å; C390-Q419 VanDerWaalsContact SG-OE1 3.38Å
391	A	98.5	Very high	97	Very high	2 Å²	2	21.9 Å²	21.9	2%	0.017	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	138.3	-178.4	0	0	0	0	0	112.6	C365 V389 L397 V401 L408 V409 F410	C365-A391 HydrophobicContact CB-CB 4.11Å; C365-A391 WeakPolarHBondContact O-CA 3.17Å; V389-A391 HydrophobicContact CG2-CB 4.39Å; A391-L397 HydrophobicContact CB-CD1 4.09Å; A391-L397 HydrophobicContact CB-CD2 3.93Å; A391-V401 HydrophobicContact CB-CG2 4Å; A391-L408 PolarHBondContact N-O 2.9Å; A391-V409 CarbonylContact O-C 3.59Å; A391-V409 VanDerWaalsContact O-CA 3.25Å; A391-V409 WeakPolarHBondContact O-CA 3.36Å; A391-F410 WeakPolarHBondContact O-CD1 3.46Å; A391-F410 PolarHBondContact O-N 3.37Å
392	V	97.9	Very high	97.1	Very high	13 Å²	13	24.5 Å²	24.5	8%	0.079	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	131.7	178.1	65	0	0	0	0	110.9	C365 L366 T368 F394 L397 F410	C365-V392 PolarHBondContact O-N 2.92Å; L366-V392 VanDerWaalsContact C-CG1 3.45Å; L366-V392 WeakPolarHBondContact O-CG1 3.39Å; T368-V392 HydrophobicContact CG2-CG1 3.6Å; T368-V392 HydrophobicContact CG2-CG2 4.46Å; V392-F394 WeakPolarHBondContact O-CD1 3.33Å; V392-L397 VanDerWaalsContact O-CD2 3.3Å; V392-L397 WeakPolarHBondContact O-CD2 3.18Å; V392-F410 CarbonylContact C-O 3.58Å; V392-F410 VanDerWaalsContact CA-O 3.29Å; V392-F410 WeakPolarHBondContact CA-O 3.26Å; V392-F410 HydrophobicContact CB-CD2 4.39Å; V392-F410 HydrophobicContact CB-CE2 3.71Å; V392-F410 HydrophobicContact CB-CZ 3.81Å; V392-F410 HydrophobicContact CG2-CD2 4.48Å; V392-F410 HydrophobicContact CG2-CE2 4.04Å
393	N	97.5	Very high	97.2	Very high	63 Å²	63	29 Å²	29	34%	0.337	14%	0.139	S	C	.	.			trans	-67.3	139.6	-173.5	-165.4	24.6	0	0	0	112.6	V409 F410 E411	N393-V409 HydrophobicContact CB-CG1 3.5Å; N393-V409 VanDerWaalsContact CB-CG1 3.5Å; N393-F410 PolarHBondContact N-O 3.37Å; N393-E411 WeakPolarHBondContact CB-OE1 3.43Å; N393-E411 PolarHBondContact ND2-OE1 2.99Å
394	F	96	Very high	97.2	Very high	23 Å²	23	33.1 Å²	33.1	10%	0.101	16%	0.158	C	C	.	.			trans	-160	167.3	165	67.1	-87.1	0	0	0	110.1	T368 D374 V392 C396 L397	T368-F394 HydrophobicContact CG2-CD1 4.41Å; D374-F394 WeakPolarHBondContact O-CE2 3.29Å; D374-F394 VanDerWaalsContact O-CZ 3.29Å; D374-F394 WeakPolarHBondContact O-CZ 3.45Å; V392-F394 WeakPolarHBondContact O-CD1 3.33Å; F394-C396 VanDerWaalsContact CE2-SG 3.52Å; F394-C396 PolarHBondContact O-N 3.38Å; F394-L397 HydrophobicContact CD1-CB 3.95Å; F394-L397 HydrophobicContact CE1-CB 3.81Å; F394-L397 HydrophobicContact CE1-CD1 3.77Å; F394-L397 HydrophobicContact CE1-CG 4.26Å; F394-L397 HydrophobicContact CE2-CB 4.48Å; F394-L397 HydrophobicContact CG-CB 4.34Å; F394-L397 HydrophobicContact CZ-CB 4.08Å; F394-L397 HydrophobicContact CZ-CD1 4.24Å; F394-L397 WeakPolarHBondContact O-CB 3Å; F394-L397 PolarHBondContact O-N 3.45Å
395	K	94.9	Very high	97.3	Very high	130 Å²	130	38 Å²	38	57%	0.565	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-40.3	-52.8	-165.2	175.4	-179.9	179.5	-177.2	0	115.9	G372 L373 H398	G372-K395 WeakPolarHBondContact O-CB 3.26Å; L373-K395 HydrophobicContact CD2-CD 3.91Å; K395-H398 PolarHBondContact O-CE1 2.84Å; K395-H398 VanDerWaalsContact O-CE1 3.28Å; K395-H398 PolarHBondContact O-ND1 3.35Å; K395-H398 VanDerWaalsContact O-ND1 3.08Å
396	C	96.6	Very high	97.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	4	-176.2	75.4	0	0	0	0	115.1	T196 A198 G372 L373 L375 F394 H398 E399	T196-C396 HydrophobicContact CG2-CB 4.4Å; A198-C396 HydrophobicContact CB-CB 3.56Å; G372-C396 PolarHBondContact O-N 3.38Å; G372-C396 PolarHBondContact O-SG 3.07Å; G372-C396 VanDerWaalsContact O-SG 3.33Å; L373-C396 VanDerWaalsContact CA-SG 3.56Å; L375-C396 WeakPolarHBondContact CD2-O 3.29Å; F394-C396 VanDerWaalsContact CE2-SG 3.52Å; F394-C396 PolarHBondContact O-N 3.38Å; C396-H398 PolarHBondContact O-N 3.32Å; C396-H398 VanDerWaalsContact O-N 3.15Å; C396-E399 WeakPolarHBondContact O-CB 3.33Å; C396-E399 PolarHBondContact O-N 3.43Å
397	L	97.5	Very high	97.3	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-56	-36.8	-175.7	178.6	68.6	0	0	0	112.8	P376 A391 V392 F394 E399 L400 V401 V409	P376-L397 HydrophobicContact CG-CD1 4.23Å; A391-L397 HydrophobicContact CB-CD1 4.09Å; A391-L397 HydrophobicContact CB-CD2 3.93Å; V392-L397 VanDerWaalsContact O-CD2 3.3Å; V392-L397 WeakPolarHBondContact O-CD2 3.18Å; F394-L397 HydrophobicContact CD1-CB 3.95Å; F394-L397 HydrophobicContact CE1-CB 3.81Å; F394-L397 HydrophobicContact CE1-CD1 3.77Å; F394-L397 HydrophobicContact CE1-CG 4.26Å; F394-L397 HydrophobicContact CE2-CB 4.48Å; F394-L397 HydrophobicContact CG-CB 4.34Å; F394-L397 HydrophobicContact CZ-CB 4.08Å; F394-L397 HydrophobicContact CZ-CD1 4.24Å; F394-L397 WeakPolarHBondContact O-CB 3Å; F394-L397 PolarHBondContact O-N 3.45Å; L397-E399 PolarHBondContact O-N 3.42Å; L397-L400 PolarHBondContact O-N 2.62Å; L397-V401 HydrophobicContact CD1-CB 4.24Å; L397-V401 HydrophobicContact CD1-CG2 3.8Å; L397-V401 HydrophobicContact CG-CB 4.16Å; L397-V401 HydrophobicContact CG-CG2 4.27Å; L397-V401 PolarHBondContact O-N 2.8Å; L397-V409 HydrophobicContact CD2-CG1 3.88Å; L397-V409 HydrophobicContact CD2-CG2 3.97Å
398	H	97.1	Very high	97.3	Very high	110 Å²	110	38 Å²	38	51%	0.509	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-59.5	-14.6	-179.3	70.3	-84.8	0	0	0	113.9	K395 C396 L400 V401 K402	K395-H398 PolarHBondContact O-CE1 2.84Å; K395-H398 VanDerWaalsContact O-CE1 3.28Å; K395-H398 PolarHBondContact O-ND1 3.35Å; K395-H398 VanDerWaalsContact O-ND1 3.08Å; C396-H398 PolarHBondContact O-N 3.32Å; C396-H398 VanDerWaalsContact O-N 3.15Å; H398-L400 VanDerWaalsContact C-N 3.3Å; H398-V401 WeakPolarHBondContact CA-O 3.33Å; H398-K402 WeakPolarHBondContact O-CD 3.49Å; H398-K402 WeakPolarHBondContact O-CE 3.06Å; H398-K402 PolarHBondContact O-NZ 3.49Å
399	E	96.9	Very high	97.4	Very high	31 Å²	31	38.8 Å²	38.8	15%	0.145	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-71.4	-26.6	171.6	-65.3	-169.8	-137.9	0	0	112.5	N197 A198 Y215 L375 C396 L397	N197-E399 WeakPolarHBondContact CB-OE2 3.48Å; N197-E399 PolarHBondContact N-OE1 3.36Å; N197-E399 PolarHBondContact N-OE2 2.82Å; A198-E399 WeakPolarHBondContact CB-OE1 3.46Å; A198-E399 PolarHBondContact N-OE1 3.39Å; Y215-E399 HydrophobicContact CE1-CB 4.3Å; Y215-E399 WeakPolarHBondContact CE1-OE2 3.5Å; Y215-E399 PolarHBondContact OH-OE2 2.84Å; L375-E399 HydrophobicContact CD1-CB 4.35Å; C396-E399 WeakPolarHBondContact O-CB 3.33Å; C396-E399 PolarHBondContact O-N 3.43Å; L397-E399 PolarHBondContact O-N 3.42Å
400	L	96.3	Very high	97.4	Very high	27 Å²	27	38.8 Å²	38.8	14%	0.141	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-57.3	-179.9	-178.2	58.2	0	0	0	111.9	L375 P376 V379 V380 F383 L397 H398 N406	L375-L400 HydrophobicContact CB-CD2 4.27Å; L375-L400 HydrophobicContact CD1-CB 4.05Å; L375-L400 HydrophobicContact CD2-CB 3.7Å; L375-L400 HydrophobicContact CD2-CD2 4.4Å; L375-L400 HydrophobicContact CG-CB 4.38Å; P376-L400 HydrophobicContact CG-CD2 4.17Å; V379-L400 HydrophobicContact CB-CD2 3.72Å; V379-L400 HydrophobicContact CB-CG 4.48Å; V379-L400 HydrophobicContact CG1-CD2 3.66Å; V379-L400 HydrophobicContact CG1-CG 3.87Å; V380-L400 HydrophobicContact CG2-CD1 4.07Å; V380-L400 HydrophobicContact CG2-CD2 3.86Å; F383-L400 HydrophobicContact CD2-CD1 3.92Å; F383-L400 HydrophobicContact CD2-CG 4.41Å; F383-L400 HydrophobicContact CE2-CD1 4.04Å; F383-L400 HydrophobicContact CE2-CG 4.11Å; F383-L400 WeakPolarHBondContact CE2-O 3.16Å; L397-L400 PolarHBondContact O-N 2.62Å; H398-L400 VanDerWaalsContact C-N 3.3Å; L400-N406 PolarHBondContact O-ND2 3.49Å; L400-N406 VanDerWaalsContact O-ND2 3.17Å
401	V	97.5	Very high	97.3	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.012	21%	0.208	C	C	.	.			trans	-92.8	114.6	-178.5	-175	0	0	0	0	109.2	V379 F383 V389 A391 L397 H398 V409	V379-V401 HydrophobicContact CG1-CG2 3.81Å; F383-V401 HydrophobicContact CE2-CG2 4.34Å; F383-V401 HydrophobicContact CZ-CG2 4.09Å; V389-V401 HydrophobicContact CG2-CG1 4.24Å; V389-V401 HydrophobicContact CG2-CG2 3.88Å; A391-V401 HydrophobicContact CB-CG2 4Å; L397-V401 HydrophobicContact CD1-CB 4.24Å; L397-V401 HydrophobicContact CD1-CG2 3.8Å; L397-V401 HydrophobicContact CG-CB 4.16Å; L397-V401 HydrophobicContact CG-CG2 4.27Å; L397-V401 PolarHBondContact O-N 2.8Å; H398-V401 WeakPolarHBondContact CA-O 3.33Å; V401-V409 HydrophobicContact CB-CG2 4.28Å; V401-V409 HydrophobicContact CG1-CG2 3.8Å
402	K	97.3	Very high	97.3	Very high	84 Å²	84	47.7 Å²	47.7	37%	0.365	23%	0.227	S	C	.	.			trans	-95.2	101.2	174.9	-58.9	-58.6	-177.9	-175.6	0	107.5	H398 E404 E405 N406	H398-K402 WeakPolarHBondContact O-CD 3.49Å; H398-K402 WeakPolarHBondContact O-CE 3.06Å; H398-K402 PolarHBondContact O-NZ 3.49Å; K402-E404 PolarHBondContact O-N 2.79Å; K402-E405 HydrophobicContact CB-CB 3.76Å; K402-E405 HydrophobicContact CB-CG 4.3Å; K402-E405 WeakPolarHBondContact CB-OE2 3.41Å; K402-E405 PolarHBondContact O-N 3.49Å; K402-N406 PolarHBondContact N-OD1 2.81Å; K402-N406 PolarHBondContact O-N 3.23Å; K402-N406 VanDerWaalsContact O-N 3.11Å; K402-N406 PolarHBondContact O-OD1 3.16Å
403	H	97.9	Very high	97.3	Very high	96 Å²	96	48.2 Å²	48.2	44%	0.444	23%	0.231	S	C	.	.	B	Isolated β-bridge	trans	-51.2	131.1	179.5	-172.9	80.7	0	0	0	110.1	E405 V409	H403-E405 PolarHBondContact O-N 2.9Å; H403-V409 HydrophobicContact CB-CB 4.48Å; H403-V409 HydrophobicContact CB-CG2 4.12Å; H403-V409 PolarHBondContact ND1-N 2.8Å
404	E	97.6	Very high	97.4	Very high	90 Å²	90	50.7 Å²	50.7	42%	0.421	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	7.7	-178.6	-61.6	-81.6	134.4	0	0	115.3	K402 G407 L408 K433 F437	K402-E404 PolarHBondContact O-N 2.79Å; E404-G407 PolarHBondContact N-O 2.94Å; E404-L408 HydrophobicContact CG-CD2 4.29Å; E404-L408 WeakPolarHBondContact OE1-CD2 3.36Å; E404-K433 WeakPolarHBondContact OE1-CE 3.32Å; E404-K433 IonicContact OE1-NZ 2.63Å; E404-K433 PolarHBondContact OE1-NZ 3.29Å; E404-K433 WeakPolarHBondContact OE2-CE 3.2Å; E404-K433 IonicContact OE2-NZ 2.59Å; E404-K433 PolarHBondContact OE2-NZ 3.36Å; E404-F437 VanDerWaalsContact C-CE1 3.44Å; E404-F437 WeakPolarHBondContact O-CE1 3.19Å
405	E	96.7	Very high	97.5	Very high	107 Å²	107	52.9 Å²	52.9	50%	0.5	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-59.3	177.5	-177.9	-173.4	160.2	0	0	111.5	K402 H403 F437 N440	K402-E405 HydrophobicContact CB-CB 3.76Å; K402-E405 HydrophobicContact CB-CG 4.3Å; K402-E405 WeakPolarHBondContact CB-OE2 3.41Å; K402-E405 PolarHBondContact O-N 3.49Å; H403-E405 PolarHBondContact O-N 2.9Å; E405-F437 VanDerWaalsContact O-CD1 3.23Å; E405-F437 WeakPolarHBondContact O-CD1 2.99Å; E405-N440 WeakPolarHBondContact O-CB 3.35Å; E405-N440 PolarHBondContact O-ND2 3.45Å
406	N	96.1	Very high	97.7	Very high	16 Å²	16	46.7 Å²	46.7	9%	0.086	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	0.4	-178.8	65.6	16.2	0	0	0	113.3	F383 L400 K402 L441	F383-N406 WeakPolarHBondContact CE1-O 3.32Å; F383-N406 HydrophobicContact CZ-CB 4.16Å; L400-N406 PolarHBondContact O-ND2 3.49Å; L400-N406 VanDerWaalsContact O-ND2 3.17Å; K402-N406 PolarHBondContact N-OD1 2.81Å; K402-N406 PolarHBondContact O-N 3.23Å; K402-N406 VanDerWaalsContact O-N 3.11Å; K402-N406 PolarHBondContact O-OD1 3.16Å; N406-L441 HydrophobicContact CB-CD2 3.83Å; N406-L441 HydrophobicContact CB-CG 4.12Å
407	G	97.9	Very high	97.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.1	-169.2	-176.4	0	0	0	0	0	111.7	V389 E404	V389-G407 CarbonylContact O-C 3.55Å; V389-G407 WeakPolarHBondContact O-CA 3.22Å; E404-G407 PolarHBondContact N-O 2.94Å
408	L	98.7	Very high	97.8	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	157.3	176	-60.5	169.9	0	0	0	110.1	V389 C390 A391 E404 Q419 M422 L423 F437	V389-L408 PolarHBondContact O-N 2.77Å; C390-L408 CarbonylContact C-O 3.58Å; C390-L408 WeakPolarHBondContact CA-O 3.43Å; A391-L408 PolarHBondContact N-O 2.9Å; E404-L408 HydrophobicContact CG-CD2 4.29Å; E404-L408 WeakPolarHBondContact OE1-CD2 3.36Å; L408-Q419 HydrophobicContact CB-CG 4.31Å; L408-Q419 VanDerWaalsContact CB-OE1 3.27Å; L408-Q419 HydrophobicContact CD1-CB 3.77Å; L408-Q419 HydrophobicContact CD1-CG 3.73Å; L408-M422 HydrophobicContact CD1-CE 3.43Å; L408-M422 VanDerWaalsContact CD1-CE 3.43Å; L408-M422 HydrophobicContact CD2-CE 4.31Å; L408-L423 HydrophobicContact CD1-CD1 3.73Å; L408-L423 HydrophobicContact CD1-CD2 4.1Å; L408-L423 HydrophobicContact CD1-CG 3.9Å; L408-F437 HydrophobicContact CD1-CE2 4.33Å; L408-F437 HydrophobicContact CD2-CE2 4.11Å; L408-F437 HydrophobicContact CD2-CZ 3.87Å; L408-F437 HydrophobicContact CG-CE2 3.84Å; L408-F437 HydrophobicContact CG-CZ 4.13Å
409	V	98.6	Very high	97.9	Very high	18 Å²	18	44.6 Å²	44.6	11%	0.109	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	134.2	-179.7	176.4	0	0	0	0	105.9	A391 N393 L397 V401 H403 Q419	A391-V409 CarbonylContact O-C 3.59Å; A391-V409 VanDerWaalsContact O-CA 3.25Å; A391-V409 WeakPolarHBondContact O-CA 3.36Å; N393-V409 HydrophobicContact CB-CG1 3.5Å; N393-V409 VanDerWaalsContact CB-CG1 3.5Å; L397-V409 HydrophobicContact CD2-CG1 3.88Å; L397-V409 HydrophobicContact CD2-CG2 3.97Å; V401-V409 HydrophobicContact CB-CG2 4.28Å; V401-V409 HydrophobicContact CG1-CG2 3.8Å; H403-V409 HydrophobicContact CB-CB 4.48Å; H403-V409 HydrophobicContact CB-CG2 4.12Å; H403-V409 PolarHBondContact ND1-N 2.8Å; V409-Q419 PolarHBondContact O-NE2 2.89Å
410	F	98.6	Very high	98	Very high	1 Å²	1	43.1 Å²	43.1	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	152.8	-179.4	64.7	-92	0	0	0	111.6	I294 V364 L366 C390 A391 V392 N393 D412 E415 L416	I294-F410 HydrophobicContact CG2-CD2 4.46Å; I294-F410 HydrophobicContact CG2-CE2 3.86Å; V364-F410 HydrophobicContact CG1-CE1 4.44Å; V364-F410 HydrophobicContact CG1-CZ 4.41Å; L366-F410 HydrophobicContact CD2-CE2 4.12Å; L366-F410 HydrophobicContact CD2-CZ 3.84Å; C390-F410 HydrophobicContact CB-CD1 3.97Å; C390-F410 HydrophobicContact CB-CE1 3.95Å; A391-F410 WeakPolarHBondContact O-CD1 3.46Å; A391-F410 PolarHBondContact O-N 3.37Å; V392-F410 CarbonylContact C-O 3.58Å; V392-F410 VanDerWaalsContact CA-O 3.29Å; V392-F410 WeakPolarHBondContact CA-O 3.26Å; V392-F410 HydrophobicContact CB-CD2 4.39Å; V392-F410 HydrophobicContact CB-CE2 3.71Å; V392-F410 HydrophobicContact CB-CZ 3.81Å; V392-F410 HydrophobicContact CG2-CD2 4.48Å; V392-F410 HydrophobicContact CG2-CE2 4.04Å; N393-F410 PolarHBondContact N-O 3.37Å; F410-D412 WeakPolarHBondContact CD2-O 3.41Å; F410-E415 VanDerWaalsContact CA-OE2 3.3Å; F410-E415 WeakPolarHBondContact CA-OE2 3.38Å; F410-E415 HydrophobicContact CB-CB 4.07Å; F410-E415 HydrophobicContact CB-CG 3.89Å; F410-L416 HydrophobicContact CB-CB 4.46Å; F410-L416 HydrophobicContact CD1-CB 4.34Å; F410-L416 HydrophobicContact CD1-CD1 3.87Å; F410-L416 HydrophobicContact CD2-CB 3.98Å; F410-L416 HydrophobicContact CE1-CD1 3.82Å; F410-L416 HydrophobicContact CE1-CD2 4.32Å; F410-L416 HydrophobicContact CE1-CG 4.48Å; F410-L416 HydrophobicContact CE2-CB 4.31Å; F410-L416 HydrophobicContact CE2-CD2 4.19Å; F410-L416 HydrophobicContact CG-CB 4Å; F410-L416 HydrophobicContact CG-CD1 4.4Å; F410-L416 HydrophobicContact CZ-CD1 4.33Å; F410-L416 HydrophobicContact CZ-CD2 3.99Å
411	E	97.9	Very high	98.1	Very high	113 Å²	113	44.6 Å²	44.6	53%	0.528	22%	0.224	S	C	.	.	S	Bend	trans	-95.8	-33.9	175.6	-64	-71	179.1	0	0	112.2	N393 E415	N393-E411 WeakPolarHBondContact CB-OE1 3.43Å; N393-E411 PolarHBondContact ND2-OE1 2.99Å; E411-E415 PolarHBondContact N-OE2 3.26Å
412	D	98.3	Very high	98.1	Very high	75 Å²	75	47.9 Å²	47.9	40%	0.401	24%	0.24	S	C	.	.	S	Bend	trans	-148.4	-174.6	-171.3	68.6	35.5	0	0	0	114.1	F410 E414 E415 L416	F410-D412 WeakPolarHBondContact CD2-O 3.41Å; D412-E414 WeakPolarHBondContact OD1-CA 3.47Å; D412-E414 WeakPolarHBondContact OD1-CB 3.35Å; D412-E414 PolarHBondContact OD1-N 3.26Å; D412-E415 PolarHBondContact OD1-N 3.32Å; D412-L416 WeakPolarHBondContact O-CB 3.42Å; D412-L416 PolarHBondContact O-N 2.93Å
413	S	98.4	Very high	98.1	Very high	25 Å²	25	44.3 Å²	44.3	18%	0.175	23%	0.225	C	C	.	.	H	α-helix	trans	-73.6	-24.5	-178.3	70.7	0	0	0	0	114.3	I294 K301 A417	I294-S413 WeakPolarHBondContact O-CB 3.3Å; K301-S413 PolarHBondContact NZ-OG 3.43Å; S413-A417 VanDerWaalsContact O-CB 3.3Å; S413-A417 WeakPolarHBondContact O-CB 3.44Å; S413-A417 PolarHBondContact O-N 3.21Å; S413-A417 VanDerWaalsContact O-N 3.1Å
414	E	98.4	Very high	98.1	Very high	114 Å²	114	39.8 Å²	39.8	53%	0.533	20%	0.204	S	C	.	.	H	α-helix	trans	-70	-49	174.8	-63.3	-65.5	160	0	0	109.3	K301 D412 A417 A418	K301-E414 WeakPolarHBondContact CD-OE2 3.42Å; K301-E414 VanDerWaalsContact CE-CD 3.44Å; K301-E414 WeakPolarHBondContact CE-OE1 3.34Å; K301-E414 WeakPolarHBondContact CE-OE2 3.35Å; K301-E414 IonicContact NZ-OE1 3.15Å; K301-E414 PolarHBondContact NZ-OE1 2.94Å; K301-E414 IonicContact NZ-OE2 3.98Å; K301-E414 PolarHBondContact NZ-OE2 3.36Å; D412-E414 WeakPolarHBondContact OD1-CA 3.47Å; D412-E414 WeakPolarHBondContact OD1-CB 3.35Å; D412-E414 PolarHBondContact OD1-N 3.26Å; E414-A417 PolarHBondContact O-N 2.81Å; E414-A418 PolarHBondContact O-N 3Å
415	E	98.6	Very high	98	Very high	69 Å²	69	38.1 Å²	38.1	32%	0.322	20%	0.202	S	C	.	.	H	α-helix	trans	-64.7	-44.2	180	-171	176.8	-173.1	0	0	111.1	F410 E411 D412 A417 A418 Q419	F410-E415 VanDerWaalsContact CA-OE2 3.3Å; F410-E415 WeakPolarHBondContact CA-OE2 3.38Å; F410-E415 HydrophobicContact CB-CB 4.07Å; F410-E415 HydrophobicContact CB-CG 3.89Å; E411-E415 PolarHBondContact N-OE2 3.26Å; D412-E415 PolarHBondContact OD1-N 3.32Å; E415-A417 VanDerWaalsContact C-N 3.32Å; E415-A417 PolarHBondContact O-N 2.9Å; E415-A418 PolarHBondContact O-N 3.43Å; E415-Q419 HydrophobicContact CG-CG 4.49Å; E415-Q419 WeakPolarHBondContact O-CB 3.14Å; E415-Q419 WeakPolarHBondContact O-CG 3.48Å; E415-Q419 PolarHBondContact O-N 3.44Å; E415-Q419 PolarHBondContact OE1-NE2 3.46Å
416	L	98.8	Very high	97.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59.4	-41.9	174.3	-179.9	58.6	0	0	0	111.8	I294 L295 A298 V364 C390 F410 D412 Q419 L420	I294-L416 HydrophobicContact CG2-CD2 4.36Å; L295-L416 HydrophobicContact CB-CD2 4.48Å; L295-L416 HydrophobicContact CD1-CD2 4.13Å; A298-L416 HydrophobicContact CB-CB 3.94Å; A298-L416 HydrophobicContact CB-CD2 3.76Å; A298-L416 HydrophobicContact CB-CG 3.73Å; V364-L416 HydrophobicContact CG1-CD2 4.3Å; C390-L416 HydrophobicContact CB-CD1 3.75Å; F410-L416 HydrophobicContact CB-CB 4.46Å; F410-L416 HydrophobicContact CD1-CB 4.34Å; F410-L416 HydrophobicContact CD1-CD1 3.87Å; F410-L416 HydrophobicContact CD2-CB 3.98Å; F410-L416 HydrophobicContact CE1-CD1 3.82Å; F410-L416 HydrophobicContact CE1-CD2 4.32Å; F410-L416 HydrophobicContact CE1-CG 4.48Å; F410-L416 HydrophobicContact CE2-CB 4.31Å; F410-L416 HydrophobicContact CE2-CD2 4.19Å; F410-L416 HydrophobicContact CG-CB 4Å; F410-L416 HydrophobicContact CG-CD1 4.4Å; F410-L416 HydrophobicContact CZ-CD1 4.33Å; F410-L416 HydrophobicContact CZ-CD2 3.99Å; D412-L416 WeakPolarHBondContact O-CB 3.42Å; D412-L416 PolarHBondContact O-N 2.93Å; L416-Q419 PolarHBondContact O-N 2.96Å; L416-L420 HydrophobicContact CD1-CG 4.26Å; L416-L420 HydrophobicContact CG-CD1 4.31Å; L416-L420 HydrophobicContact CG-CG 4.46Å; L416-L420 VanDerWaalsContact O-CG 3.26Å; L416-L420 WeakPolarHBondContact O-CG 3.33Å; L416-L420 PolarHBondContact O-N 3.39Å
417	A	98.6	Very high	97.6	Very high	5 Å²	5	38 Å²	38	4%	0.041	20%	0.203	C	C	.	.	H	α-helix	trans	-62.9	-43.7	177.5	0	0	0	0	0	112.3	A298 K301 S413 E414 E415 Q419 L420 Q421	A298-A417 HydrophobicContact CB-CB 4.17Å; K301-A417 HydrophobicContact CB-CB 3.74Å; K301-A417 HydrophobicContact CD-CB 3.81Å; K301-A417 HydrophobicContact CG-CB 4.45Å; S413-A417 VanDerWaalsContact O-CB 3.3Å; S413-A417 WeakPolarHBondContact O-CB 3.44Å; S413-A417 PolarHBondContact O-N 3.21Å; S413-A417 VanDerWaalsContact O-N 3.1Å; E414-A417 PolarHBondContact O-N 2.81Å; E415-A417 VanDerWaalsContact C-N 3.32Å; E415-A417 PolarHBondContact O-N 2.9Å; A417-Q419 VanDerWaalsContact C-N 3.32Å; A417-Q419 PolarHBondContact O-N 3.45Å; A417-L420 PolarHBondContact O-N 2.95Å; A417-Q421 PolarHBondContact O-N 3.14Å
418	A	98.5	Very high	97.3	Very high	52 Å²	52	41.2 Å²	41.2	43%	0.43	22%	0.224	S	C	.	.	H	α-helix	trans	-62.5	-40.4	176.2	0	0	0	0	0	111.7	E414 E415 Q421 M422	E414-A418 PolarHBondContact O-N 3Å; E415-A418 PolarHBondContact O-N 3.43Å; A418-Q421 PolarHBondContact O-N 2.9Å; A418-M422 WeakPolarHBondContact O-CB 3.28Å; A418-M422 PolarHBondContact O-N 3.46Å
419	Q	98.6	Very high	96.9	Very high	11 Å²	11	44.4 Å²	44.4	5%	0.051	24%	0.241	C	C	.	.	H	α-helix	trans	-64.8	-44	175.3	-69.8	178.2	7.3	0	0	111.9	C390 L408 V409 E415 L416 A417 Q421 M422 L423	C390-Q419 PolarHBondContact SG-OE1 3.07Å; C390-Q419 VanDerWaalsContact SG-OE1 3.38Å; L408-Q419 HydrophobicContact CB-CG 4.31Å; L408-Q419 VanDerWaalsContact CB-OE1 3.27Å; L408-Q419 HydrophobicContact CD1-CB 3.77Å; L408-Q419 HydrophobicContact CD1-CG 3.73Å; V409-Q419 PolarHBondContact O-NE2 2.89Å; E415-Q419 HydrophobicContact CG-CG 4.49Å; E415-Q419 WeakPolarHBondContact O-CB 3.14Å; E415-Q419 WeakPolarHBondContact O-CG 3.48Å; E415-Q419 PolarHBondContact O-N 3.44Å; E415-Q419 PolarHBondContact OE1-NE2 3.46Å; L416-Q419 PolarHBondContact O-N 2.96Å; A417-Q419 VanDerWaalsContact C-N 3.32Å; A417-Q419 PolarHBondContact O-N 3.45Å; Q419-Q421 PolarHBondContact O-N 3.21Å; Q419-M422 PolarHBondContact O-N 3.16Å; Q419-L423 WeakPolarHBondContact O-CB 3.35Å; Q419-L423 VanDerWaalsContact O-CG 3.26Å; Q419-L423 WeakPolarHBondContact O-CG 3.28Å; Q419-L423 PolarHBondContact O-N 3.48Å
420	L	98.6	Very high	96.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.4	-44.2	174.9	-68.9	173.7	0	0	0	111.5	L280 A298 L299 F302 L362 L416 A417 M422 L423 F424	L280-L420 HydrophobicContact CD1-CD2 4.13Å; L280-L420 HydrophobicContact CD2-CD2 4.39Å; A298-L420 HydrophobicContact CB-CD1 4.32Å; L299-L420 HydrophobicContact CD2-CD1 4.34Å; F302-L420 HydrophobicContact CD2-CB 3.73Å; F302-L420 HydrophobicContact CE2-CB 4.12Å; L362-L420 HydrophobicContact CD2-CD2 3.65Å; L416-L420 HydrophobicContact CD1-CG 4.26Å; L416-L420 HydrophobicContact CG-CD1 4.31Å; L416-L420 HydrophobicContact CG-CG 4.46Å; L416-L420 VanDerWaalsContact O-CG 3.26Å; L416-L420 WeakPolarHBondContact O-CG 3.33Å; L416-L420 PolarHBondContact O-N 3.39Å; A417-L420 PolarHBondContact O-N 2.95Å; L420-M422 PolarHBondContact O-N 3.12Å; L420-L423 PolarHBondContact O-N 2.85Å; L420-F424 HydrophobicContact CB-CD2 4.49Å; L420-F424 HydrophobicContact CD2-CD2 4.31Å; L420-F424 HydrophobicContact CD2-CE2 3.85Å; L420-F424 WeakPolarHBondContact O-CB 3.5Å; L420-F424 WeakPolarHBondContact O-CD2 3.42Å; L420-F424 PolarHBondContact O-N 3.21Å
421	Q	97.9	Very high	96.1	Very high	58 Å²	58	52.8 Å²	52.8	27%	0.271	30%	0.304	S	S	.	.	H	α-helix	trans	-58.6	-47.9	175.6	-179	-175.9	36.4	0	0	111.4	L305 L312 A417 A418 Q419 S425	L305-Q421 HydrophobicContact CD1-CB 3.92Å; L305-Q421 HydrophobicContact CD1-CG 3.98Å; L312-Q421 HydrophobicContact CD1-CG 4.38Å; L312-Q421 HydrophobicContact CD2-CG 4.41Å; A417-Q421 PolarHBondContact O-N 3.14Å; A418-Q421 PolarHBondContact O-N 2.9Å; Q419-Q421 PolarHBondContact O-N 3.21Å; Q421-S425 WeakPolarHBondContact O-CB 3.39Å; Q421-S425 PolarHBondContact O-N 2.91Å
422	M	97.3	Very high	95.9	Very high	71 Å²	71	48.1 Å²	48.1	35%	0.35	29%	0.286	S	S	.	.	H	α-helix	trans	-65.5	-44.3	-178.6	177.4	-92.1	-70.6	0	0	112	L408 A418 Q419 L420 K433	L408-M422 HydrophobicContact CD1-CE 3.43Å; L408-M422 VanDerWaalsContact CD1-CE 3.43Å; L408-M422 HydrophobicContact CD2-CE 4.31Å; A418-M422 WeakPolarHBondContact O-CB 3.28Å; A418-M422 PolarHBondContact O-N 3.46Å; Q419-M422 PolarHBondContact O-N 3.16Å; L420-M422 PolarHBondContact O-N 3.12Å; M422-K433 HydrophobicContact CE-CD 3.72Å; M422-K433 HydrophobicContact SD-CB 4.24Å; M422-K433 HydrophobicContact SD-CD 3.26Å; M422-K433 WeakPolarHBondContact SD-CD 3.35Å; M422-K433 HydrophobicContact SD-CG 4.39Å
423	L	97.9	Very high	95.8	Very high	9 Å²	9	46.8 Å²	46.8	5%	0.047	28%	0.277	C	S	.	.	H	α-helix	trans	-70.3	-32.4	-178.5	-71.6	175.6	0	0	0	113.5	L362 L408 Q419 L420 K433 L434 F437	L362-L423 HydrophobicContact CD1-CD1 3.83Å; L362-L423 HydrophobicContact CD2-CD1 3.69Å; L362-L423 HydrophobicContact CG-CD1 4.43Å; L408-L423 HydrophobicContact CD1-CD1 3.73Å; L408-L423 HydrophobicContact CD1-CD2 4.1Å; L408-L423 HydrophobicContact CD1-CG 3.9Å; Q419-L423 WeakPolarHBondContact O-CB 3.35Å; Q419-L423 VanDerWaalsContact O-CG 3.26Å; Q419-L423 WeakPolarHBondContact O-CG 3.28Å; Q419-L423 PolarHBondContact O-N 3.48Å; L420-L423 PolarHBondContact O-N 2.85Å; L423-K433 HydrophobicContact CD2-CB 4.15Å; L423-K433 HydrophobicContact CD2-CD 4.33Å; L423-K433 HydrophobicContact CD2-CG 4.38Å; L423-L434 HydrophobicContact CD2-CD1 4.37Å; L423-F437 HydrophobicContact CD2-CD2 4.31Å; L423-F437 HydrophobicContact CD2-CE2 3.9Å
424	F	97.6	Very high	95.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-102.5	5.2	-178	-66.1	-58.2	0	0	0	114.4	A278 L280 F302 L312 P313 L315 D361 L362 L420 N426 F427 L434	A278-F424 HydrophobicContact CB-CD1 3.69Å; A278-F424 HydrophobicContact CB-CE1 3.47Å; A278-F424 VanDerWaalsContact CB-CE1 3.47Å; A278-F424 HydrophobicContact CB-CG 4.39Å; A278-F424 HydrophobicContact CB-CZ 3.98Å; L280-F424 HydrophobicContact CD1-CE2 4.46Å; F302-F424 HydrophobicContact CE2-CB 4.16Å; F302-F424 HydrophobicContact CE2-CD2 4.15Å; F302-F424 HydrophobicContact CZ-CB 4.07Å; F302-F424 HydrophobicContact CZ-CD2 4.17Å; F302-F424 HydrophobicContact CZ-CG 4.47Å; L312-F424 HydrophobicContact CD2-CB 4.39Å; P313-F424 WeakPolarHBondContact CD-O 3.35Å; P313-F424 HydrophobicContact CG-CB 4.04Å; P313-F424 HydrophobicContact CG-CG 4.47Å; L315-F424 HydrophobicContact CD1-CD2 4.22Å; L315-F424 HydrophobicContact CD1-CE2 3.91Å; D361-F424 HydrophobicContact CB-CE1 4.18Å; L362-F424 HydrophobicContact CB-CE2 4.46Å; L362-F424 HydrophobicContact CB-CZ 3.75Å; L362-F424 HydrophobicContact CD2-CE2 3.8Å; L362-F424 HydrophobicContact CD2-CZ 3.93Å; L420-F424 HydrophobicContact CB-CD2 4.49Å; L420-F424 HydrophobicContact CD2-CD2 4.31Å; L420-F424 HydrophobicContact CD2-CE2 3.85Å; L420-F424 WeakPolarHBondContact O-CB 3.5Å; L420-F424 WeakPolarHBondContact O-CD2 3.42Å; L420-F424 PolarHBondContact O-N 3.21Å; F424-N426 PolarHBondContact O-N 3.1Å; F424-F427 HydrophobicContact CB-CB 4.39Å; F424-F427 HydrophobicContact CD1-CB 4.33Å; F424-F427 AromaticContact CD1-CD2 3.74Å; F424-F427 HydrophobicContact CD1-CD2 3.74Å; F424-F427 HydrophobicContact CD1-CE2 4.22Å; F424-F427 HydrophobicContact CD1-CG 4.07Å; F424-F427 HydrophobicContact CE1-CD2 4.2Å; F424-F427 HydrophobicContact CE1-CE2 4.22Å; F424-F427 VanDerWaalsContact O-CB 3.25Å; F424-F427 WeakPolarHBondContact O-CB 3.49Å; F424-F427 PolarHBondContact O-N 3.45Å; F424-L434 HydrophobicContact CE1-CD2 4.09Å
425	S	94.9	Very high	95.6	Very high	55 Å²	55	42.8 Å²	42.8	39%	0.385	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	128.1	172.8	-165.4	0	0	0	0	110.4	Q421 F427	Q421-S425 WeakPolarHBondContact O-CB 3.39Å; Q421-S425 PolarHBondContact O-N 2.91Å; S425-F427 PolarHBondContact O-N 3.34Å; S425-F427 VanDerWaalsContact O-N 3.15Å
426	N	90.4	Very high	95.5	Very high	89 Å²	89	44 Å²	44	48%	0.476	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	23.6	-177.1	-52.5	-51.1	0	0	0	114.8	N311 F424 P428	N311-N426 PolarHBondContact ND2-OD1 2.66Å; N311-N426 PolarHBondContact O-N 3.26Å; F424-N426 PolarHBondContact O-N 3.1Å; N426-P428 CarbonylContact O-C 3.45Å
427	F	94.3	Very high	95.4	Very high	31 Å²	31	44.1 Å²	44.1	14%	0.136	26%	0.263	C	S	.	.	S	Bend	trans	-62.9	140	179.9	177.8	-86.9	0	0	0	112.3	A278 P313 D361 F424 S425 L434	A278-F427 HydrophobicContact CB-CD1 4.16Å; A278-F427 HydrophobicContact CB-CE1 3.86Å; A278-F427 HydrophobicContact CB-CE2 4.48Å; A278-F427 HydrophobicContact CB-CZ 4.02Å; P313-F427 HydrophobicContact CB-CB 4.42Å; P313-F427 HydrophobicContact CB-CD1 3.86Å; P313-F427 HydrophobicContact CG-CB 3.82Å; P313-F427 HydrophobicContact CG-CD1 3.82Å; P313-F427 HydrophobicContact CG-CG 4.06Å; D361-F427 HydrophobicContact CB-CE2 4.22Å; D361-F427 HydrophobicContact CB-CZ 4.34Å; D361-F427 WeakPolarHBondContact OD2-CZ 3.41Å; F424-F427 HydrophobicContact CB-CB 4.39Å; F424-F427 HydrophobicContact CD1-CB 4.33Å; F424-F427 AromaticContact CD1-CD2 3.74Å; F424-F427 HydrophobicContact CD1-CD2 3.74Å; F424-F427 HydrophobicContact CD1-CE2 4.22Å; F424-F427 HydrophobicContact CD1-CG 4.07Å; F424-F427 HydrophobicContact CE1-CD2 4.2Å; F424-F427 HydrophobicContact CE1-CE2 4.22Å; F424-F427 VanDerWaalsContact O-CB 3.25Å; F424-F427 WeakPolarHBondContact O-CB 3.49Å; F424-F427 PolarHBondContact O-N 3.45Å; S425-F427 PolarHBondContact O-N 3.34Å; S425-F427 VanDerWaalsContact O-N 3.15Å; F427-L434 HydrophobicContact CD2-CD2 4.41Å; F427-L434 HydrophobicContact CE2-CD2 4.1Å
428	P	91.5	Very high	95.3	Very high	69 Å²	69	45 Å²	45	45%	0.448	27%	0.266	S	S	.	.	S	Bend	cis	-82.4	123.4	-4.2	31.2	-32.3	0	0	0	112.3	N426	N426-P428 CarbonylContact O-C 3.45Å
429	D	90.4	Very high	95.2	Very high	68 Å²	68	46.4 Å²	46.4	36%	0.364	26%	0.263	S	S	.	.			trans	-111.7	112.2	175.9	-177.2	4.3	0	0	0	110.7	A431 G432	D429-A431 PolarHBondContact O-N 3.49Å; D429-A431 PolarHBondContact OD1-N 2.87Å; D429-G432 VanDerWaalsContact CG-N 3.33Å; D429-G432 PolarHBondContact O-N 3.31Å; D429-G432 PolarHBondContact OD1-N 2.88Å; D429-G432 PolarHBondContact OD2-N 2.7Å
430	P	88.9	Confident	95.1	Very high	102 Å²	102	48.1 Å²	48.1	66%	0.662	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-27	175.3	-22.2	33.6	0	0	0	114.1	G432 N435	P430-G432 VanDerWaalsContact C-N 3.32Å; P430-N435 WeakPolarHBondContact O-CB 3.47Å; P430-N435 PolarHBondContact O-ND2 3.39Å
431	A	92.1	Very high	95	Very high	92 Å²	92	48.5 Å²	48.5	76%	0.76	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-0.3	175.2	0	0	0	0	0	112.4	D429	D429-A431 PolarHBondContact O-N 3.49Å; D429-A431 PolarHBondContact OD1-N 2.87Å
432	G	94.4	Very high	94.8	Very high	15 Å²	15	50.9 Å²	50.9	16%	0.155	28%	0.281	C	S	.	.	S	Bend	trans	-72.2	158	-178.4	0	0	0	0	0	112.6	D429 P430 L434 N435 Q436	D429-G432 VanDerWaalsContact CG-N 3.33Å; D429-G432 PolarHBondContact O-N 3.31Å; D429-G432 PolarHBondContact OD1-N 2.88Å; D429-G432 PolarHBondContact OD2-N 2.7Å; P430-G432 VanDerWaalsContact C-N 3.32Å; G432-L434 PolarHBondContact O-N 2.82Å; G432-L434 VanDerWaalsContact O-N 3.16Å; G432-N435 PolarHBondContact O-N 3.48Å; G432-Q436 PolarHBondContact O-N 3.36Å; G432-Q436 VanDerWaalsContact O-N 3.16Å
433	K	96	Very high	94.6	Very high	48 Å²	48	54.6 Å²	54.6	21%	0.209	30%	0.297	C	S	.	.	H	α-helix	trans	-59.1	-31.1	-176.7	-160.3	177.3	-155.8	166.7	0	114	E404 M422 L423 N435 Q436 F437	E404-K433 WeakPolarHBondContact OE1-CE 3.32Å; E404-K433 IonicContact OE1-NZ 2.63Å; E404-K433 PolarHBondContact OE1-NZ 3.29Å; E404-K433 WeakPolarHBondContact OE2-CE 3.2Å; E404-K433 IonicContact OE2-NZ 2.59Å; E404-K433 PolarHBondContact OE2-NZ 3.36Å; M422-K433 HydrophobicContact CE-CD 3.72Å; M422-K433 HydrophobicContact SD-CB 4.24Å; M422-K433 HydrophobicContact SD-CD 3.26Å; M422-K433 WeakPolarHBondContact SD-CD 3.35Å; M422-K433 HydrophobicContact SD-CG 4.39Å; L423-K433 HydrophobicContact CD2-CB 4.15Å; L423-K433 HydrophobicContact CD2-CD 4.33Å; L423-K433 HydrophobicContact CD2-CG 4.38Å; K433-N435 VanDerWaalsContact C-N 3.33Å; K433-N435 PolarHBondContact O-N 2.7Å; K433-Q436 WeakPolarHBondContact O-CB 3.3Å; K433-Q436 PolarHBondContact O-N 3.38Å; K433-F437 HydrophobicContact CD-CE1 4.3Å; K433-F437 HydrophobicContact CD-CE2 4.24Å; K433-F437 HydrophobicContact CD-CZ 3.75Å; K433-F437 HydrophobicContact CG-CD1 4.4Å; K433-F437 HydrophobicContact CG-CE1 3.81Å; K433-F437 HydrophobicContact CG-CE2 4.02Å; K433-F437 HydrophobicContact CG-CZ 3.63Å; K433-F437 WeakPolarHBondContact O-CG 3.21Å; K433-F437 PolarHBondContact O-N 2.96Å
434	L	95.9	Very high	94	Very high	13 Å²	13	56.9 Å²	56.9	7%	0.068	31%	0.314	C	S	.	.	H	α-helix	trans	-62.6	-40.1	176	-166.1	74.8	0	0	0	112.2	D361 L362 P388 L423 F424 F427 G432 R438	D361-L434 HydrophobicContact CB-CD2 3.99Å; D361-L434 WeakPolarHBondContact O-CD1 3.03Å; L362-L434 HydrophobicContact CB-CD1 4.1Å; L362-L434 HydrophobicContact CD1-CD1 3.93Å; P388-L434 HydrophobicContact CG-CD1 3.65Å; P388-L434 HydrophobicContact CG-CG 4.2Å; L423-L434 HydrophobicContact CD2-CD1 4.37Å; F424-L434 HydrophobicContact CE1-CD2 4.09Å; F427-L434 HydrophobicContact CD2-CD2 4.41Å; F427-L434 HydrophobicContact CE2-CD2 4.1Å; G432-L434 PolarHBondContact O-N 2.82Å; G432-L434 VanDerWaalsContact O-N 3.16Å; L434-R438 PolarHBondContact O-N 2.81Å
435	N	95.5	Very high	92.7	Very high	41 Å²	41	65.2 Å²	65.2	22%	0.219	35%	0.353	C	S	.	.	H	α-helix	trans	-72.6	-38.5	175.8	-171.3	52.7	0	0	0	111	P430 G432 K433 F437 R438 E439	P430-N435 WeakPolarHBondContact O-CB 3.47Å; P430-N435 PolarHBondContact O-ND2 3.39Å; G432-N435 PolarHBondContact O-N 3.48Å; K433-N435 VanDerWaalsContact C-N 3.33Å; K433-N435 PolarHBondContact O-N 2.7Å; N435-F437 PolarHBondContact O-N 3.4Å; N435-R438 WeakPolarHBondContact O-CB 3.23Å; N435-R438 PolarHBondContact O-N 2.89Å; N435-R438 VanDerWaalsContact O-N 3.13Å; N435-E439 PolarHBondContact ND2-OE1 2.93Å; N435-E439 WeakPolarHBondContact O-CG 3.03Å; N435-E439 PolarHBondContact O-N 2.91Å
436	Q	97.1	Very high	92	Very high	96 Å²	96	65.2 Å²	65.2	45%	0.449	35%	0.347	S	S	.	.	H	α-helix	trans	-56.4	-48.3	174.3	-173.7	-175.9	14.1	0	0	112.2	G432 K433 R438 E439 N440	G432-Q436 PolarHBondContact O-N 3.36Å; G432-Q436 VanDerWaalsContact O-N 3.16Å; K433-Q436 WeakPolarHBondContact O-CB 3.3Å; K433-Q436 PolarHBondContact O-N 3.38Å; Q436-R438 VanDerWaalsContact C-N 3.27Å; Q436-R438 PolarHBondContact O-N 3.18Å; Q436-E439 PolarHBondContact O-N 3.17Å; Q436-N440 VanDerWaalsContact O-CG 3.29Å; Q436-N440 PolarHBondContact O-N 3.48Å
437	F	97.7	Very high	91.8	Very high	1 Å²	1	64 Å²	64	0%	0.004	34%	0.34	C	S	.	.	H	α-helix	trans	-62.9	-35.9	177.1	-64.7	-20.1	0	0	0	112.6	P388 E404 E405 L408 L423 K433 N435 N440 L441	P388-F437 HydrophobicContact CB-CB 3.63Å; P388-F437 HydrophobicContact CB-CD2 4.13Å; P388-F437 HydrophobicContact CB-CG 4.4Å; P388-F437 HydrophobicContact CG-CB 4.38Å; E404-F437 VanDerWaalsContact C-CE1 3.44Å; E404-F437 WeakPolarHBondContact O-CE1 3.19Å; E405-F437 VanDerWaalsContact O-CD1 3.23Å; E405-F437 WeakPolarHBondContact O-CD1 2.99Å; L408-F437 HydrophobicContact CD1-CE2 4.33Å; L408-F437 HydrophobicContact CD2-CE2 4.11Å; L408-F437 HydrophobicContact CD2-CZ 3.87Å; L408-F437 HydrophobicContact CG-CE2 3.84Å; L408-F437 HydrophobicContact CG-CZ 4.13Å; L423-F437 HydrophobicContact CD2-CD2 4.31Å; L423-F437 HydrophobicContact CD2-CE2 3.9Å; K433-F437 HydrophobicContact CD-CE1 4.3Å; K433-F437 HydrophobicContact CD-CE2 4.24Å; K433-F437 HydrophobicContact CD-CZ 3.75Å; K433-F437 HydrophobicContact CG-CD1 4.4Å; K433-F437 HydrophobicContact CG-CE1 3.81Å; K433-F437 HydrophobicContact CG-CE2 4.02Å; K433-F437 HydrophobicContact CG-CZ 3.63Å; K433-F437 WeakPolarHBondContact O-CG 3.21Å; K433-F437 PolarHBondContact O-N 2.96Å; N435-F437 PolarHBondContact O-N 3.4Å; F437-N440 PolarHBondContact O-N 3.35Å; F437-L441 WeakPolarHBondContact O-CG 3.24Å; F437-L441 PolarHBondContact O-N 2.97Å
438	R	96.4	Very high	91.6	Very high	25 Å²	25	66.3 Å²	66.3	9%	0.094	35%	0.348	C	S	.	.	H	α-helix	trans	-66.2	-40.4	175.8	-177.5	173.5	-59.2	-101.5	1	111.7	E224 A360 D361 C386 L434 N435 Q436 L441 R442	E224-R438 IonicContact OE2-NH1 2.72Å; A360-R438 PolarHBondContact O-NH2 3.39Å; D361-R438 PolarHBondContact O-NH2 3.45Å; C386-R438 HydrophobicContact CB-CG 4.29Å; C386-R438 WeakPolarHBondContact O-CG 3.47Å; C386-R438 PolarHBondContact O-NH1 3.26Å; L434-R438 PolarHBondContact O-N 2.81Å; N435-R438 WeakPolarHBondContact O-CB 3.23Å; N435-R438 PolarHBondContact O-N 2.89Å; N435-R438 VanDerWaalsContact O-N 3.13Å; Q436-R438 VanDerWaalsContact C-N 3.27Å; Q436-R438 PolarHBondContact O-N 3.18Å; R438-L441 PolarHBondContact O-N 2.84Å; R438-R442 VanDerWaalsContact CD-NH2 3.33Å; R438-R442 WeakPolarHBondContact O-CG 3.28Å; R438-R442 PolarHBondContact O-N 2.84Å; R438-R442 VanDerWaalsContact O-N 3.09Å
439	E	96.1	Very high	91.6	Very high	81 Å²	81	63.7 Å²	63.7	38%	0.379	33%	0.329	S	S	.	.	H	α-helix	trans	-63.4	-47.2	174	-73.3	170.8	179.7	0	0	111.2	N435 Q436 L441 R442 E443	N435-E439 PolarHBondContact ND2-OE1 2.93Å; N435-E439 WeakPolarHBondContact O-CG 3.03Å; N435-E439 PolarHBondContact O-N 2.91Å; Q436-E439 PolarHBondContact O-N 3.17Å; E439-L441 VanDerWaalsContact C-N 3.27Å; E439-L441 PolarHBondContact O-N 3.35Å; E439-R442 WeakPolarHBondContact O-CB 3.25Å; E439-R442 PolarHBondContact O-N 2.83Å; E439-E443 WeakPolarHBondContact O-CG 3.38Å; E439-E443 PolarHBondContact O-N 2.97Å
440	N	96.9	Very high	91.6	Very high	47 Å²	47	62.5 Å²	62.5	25%	0.251	32%	0.323	S	S	.	.	H	α-helix	trans	-56.8	-41.4	175	-67.1	-12.9	0	0	0	112	E405 Q436 F437 E443 S444	E405-N440 WeakPolarHBondContact O-CB 3.35Å; E405-N440 PolarHBondContact O-ND2 3.45Å; Q436-N440 VanDerWaalsContact O-CG 3.29Å; Q436-N440 PolarHBondContact O-N 3.48Å; F437-N440 PolarHBondContact O-N 3.35Å; N440-E443 PolarHBondContact O-N 2.89Å; N440-S444 WeakPolarHBondContact O-CB 3.24Å; N440-S444 PolarHBondContact O-N 2.9Å
441	L	95.5	Very high	91.7	Very high	7 Å²	7	62.4 Å²	62.4	4%	0.037	31%	0.314	C	S	.	.	H	α-helix	trans	-62.5	-41.4	175.4	-77.9	169.5	0	0	0	112.3	F383 C386 P388 N406 F437 R438 E439 S444	F383-L441 HydrophobicContact CB-CD2 3.99Å; F383-L441 HydrophobicContact CD1-CD1 3.84Å; F383-L441 HydrophobicContact CD1-CD2 3.64Å; F383-L441 HydrophobicContact CD1-CG 4.41Å; F383-L441 HydrophobicContact CD2-CD2 4.22Å; F383-L441 HydrophobicContact CE1-CD1 4.17Å; F383-L441 HydrophobicContact CE1-CD2 4.08Å; F383-L441 HydrophobicContact CG-CD2 3.71Å; C386-L441 HydrophobicContact CB-CB 4.29Å; P388-L441 HydrophobicContact CB-CD1 4.45Å; N406-L441 HydrophobicContact CB-CD2 3.83Å; N406-L441 HydrophobicContact CB-CG 4.12Å; F437-L441 WeakPolarHBondContact O-CG 3.24Å; F437-L441 PolarHBondContact O-N 2.97Å; R438-L441 PolarHBondContact O-N 2.84Å; E439-L441 VanDerWaalsContact C-N 3.27Å; E439-L441 PolarHBondContact O-N 3.35Å; L441-S444 PolarHBondContact O-OG 3.31Å
442	R	94.1	Very high	91.8	Very high	109 Å²	109	58.6 Å²	58.6	41%	0.411	28%	0.281	S	S	.	.	H	α-helix	trans	-64.4	-42.8	175.8	-69.4	169.5	-176.6	146.6	0.9	111.9	E224 C386 R438 E439 S444	E224-R442 IonicContact OE1-CZ 2.61Å; E224-R442 IonicContact OE1-NE 3.43Å; E224-R442 PolarHBondContact OE1-NE 3.44Å; E224-R442 IonicContact OE1-NH2 3.51Å; E224-R442 PolarHBondContact OE1-NH2 3.12Å; E224-R442 IonicContact OE2-CZ 2.78Å; E224-R442 IonicContact OE2-NE 2.71Å; E224-R442 IonicContact OE2-NH2 3.55Å; E224-R442 PolarHBondContact OE2-NH2 3.29Å; C386-R442 HydrophobicContact CB-CG 4.27Å; R438-R442 VanDerWaalsContact CD-NH2 3.33Å; R438-R442 WeakPolarHBondContact O-CG 3.28Å; R438-R442 PolarHBondContact O-N 2.84Å; R438-R442 VanDerWaalsContact O-N 3.09Å; E439-R442 WeakPolarHBondContact O-CB 3.25Å; E439-R442 PolarHBondContact O-N 2.83Å; R442-S444 VanDerWaalsContact C-N 3.34Å
443	E	93.4	Very high	91.8	Very high	148 Å²	148	57.9 Å²	57.9	69%	0.692	27%	0.274	S	S	*	.	H	α-helix	trans	-73.6	-25.2	-178.3	-69.5	-177.9	179.3	0	0	113	E439 N440 E445	E439-E443 WeakPolarHBondContact O-CG 3.38Å; E439-E443 PolarHBondContact O-N 2.97Å; N440-E443 PolarHBondContact O-N 2.89Å; E443-E445 PolarHBondContact O-N 2.94Å
444	S	85.8	Confident	91.8	Very high	58 Å²	58	57.9 Å²	57.9	41%	0.406	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-4.3	-177.5	69.9	0	0	0	0	115.4	N440 L441 R442 Q446	N440-S444 WeakPolarHBondContact O-CB 3.24Å; N440-S444 PolarHBondContact O-N 2.9Å; L441-S444 PolarHBondContact O-OG 3.31Å; R442-S444 VanDerWaalsContact C-N 3.34Å; S444-Q446 VanDerWaalsContact C-N 3.27Å; S444-Q446 PolarHBondContact O-N 3.32Å; S444-Q446 VanDerWaalsContact O-N 3.09Å; S444-Q446 WeakPolarHBondContact OG-CG 3.42Å
445	E	70.3	Confident	91.8	Very high	175 Å²	175	63.3 Å²	63.3	82%	0.818	30%	0.303	S	S	*	.			trans	36.1	55.1	179.1	-70.8	-168.9	169.2	0	0	113.1	E443 L447	E443-E445 PolarHBondContact O-N 2.94Å; E445-L447 PolarHBondContact O-N 3.33Å
446	Q	79.5	Confident	91.8	Very high	54 Å²	54	63.3 Å²	63.3	25%	0.252	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-58.8	119	-175.2	-60	-169.7	0.1	0	0	111	S444 R448	S444-Q446 VanDerWaalsContact C-N 3.27Å; S444-Q446 PolarHBondContact O-N 3.32Å; S444-Q446 VanDerWaalsContact O-N 3.09Å; S444-Q446 WeakPolarHBondContact OG-CG 3.42Å; Q446-R448 PolarHBondContact O-N 2.95Å
447	L	85.9	Confident	91.7	Very high	63 Å²	63	58.8 Å²	58.8	33%	0.33	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-52	135.4	172	-67.4	176.8	0	0	0	110.3	K217 E445 E451	K217-L447 WeakPolarHBondContact CD-O 3.34Å; K217-L447 WeakPolarHBondContact CG-O 3.34Å; E445-L447 PolarHBondContact O-N 3.33Å; L447-E451 HydrophobicContact CD2-CB 4.28Å
448	R	89.4	Confident	91.7	Very high	80 Å²	80	59.5 Å²	59.5	30%	0.302	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-74.8	165.6	171.6	-60.4	-62.1	179.5	165	-5.5	110	A219 F222 Q446 D450 E451 S452	A219-R448 PolarHBondContact O-NH1 3.22Å; F222-R448 PolarHBondContact O-NH1 2.91Å; Q446-R448 PolarHBondContact O-N 2.95Å; R448-D450 PolarHBondContact O-N 3.13Å; R448-E451 PolarHBondContact N-OE2 3.4Å; R448-E451 PolarHBondContact O-N 3.24Å; R448-S452 PolarHBondContact O-N 3.3Å
449	W	91.3	Very high	91.6	Very high	15 Å²	15	60.8 Å²	60.8	6%	0.057	30%	0.299	C	S	.	.	H	α-helix	trans	-49.7	-54.8	-178.2	170	-86.9	0	0	0	112.6	R48 Y51 H52 S55 V214 K217 E451 S452 W453	R48-W449 HydrophobicContact CG-CH2 3.71Å; R48-W449 HydrophobicContact CG-CZ3 4.11Å; Y51-W449 VanDerWaalsContact CB-NE1 3.27Å; Y51-W449 HydrophobicContact CD2-CD2 4.2Å; Y51-W449 HydrophobicContact CD2-CE3 4.43Å; Y51-W449 HydrophobicContact CD2-CG 4.37Å; Y51-W449 HydrophobicContact CG-CD2 4.29Å; Y51-W449 HydrophobicContact CG-CG 4.22Å; Y51-W449 PolarHBondContact O-NE1 3.42Å; H52-W449 AromaticContact CE1-CH2 3.68Å; H52-W449 AromaticContact CE1-CZ2 3.57Å; H52-W449 AromaticContact CG-CZ2 3.95Å; H52-W449 AromaticContact ND1-CZ2 3.55Å; H52-W449 AromaticContact NE2-CH2 3.78Å; H52-W449 AromaticContact NE2-CZ2 3.98Å; S55-W449 PolarHBondContact OG-NE1 2.89Å; V214-W449 HydrophobicContact CG1-CH2 4.4Å; K217-W449 HydrophobicContact CB-CB 4.24Å; W449-E451 PolarHBondContact O-N 2.88Å; W449-S452 PolarHBondContact O-N 2.91Å; W449-W453 AromaticContact CE2-CD1 3.94Å; W449-W453 AromaticContact CZ2-CD1 3.65Å; W449-W453 HydrophobicContact CZ2-CG 4.48Å; W449-W453 AromaticContact NE1-CD1 3.98Å; W449-W453 WeakPolarHBondContact O-CB 3.17Å; W449-W453 PolarHBondContact O-N 3.33Å
450	D	91.3	Very high	91.5	Very high	42 Å²	42	59.4 Å²	59.4	23%	0.225	29%	0.293	C	S	.	.	H	α-helix	trans	-65.6	-40.5	-172.7	-166.7	63.3	0	0	0	111.9	S55 M58 H59 R448 S452 W453 V454	S55-D450 WeakPolarHBondContact CA-OD1 3.18Å; S55-D450 WeakPolarHBondContact CB-OD1 3.38Å; S55-D450 PolarHBondContact OG-OD1 2.87Å; M58-D450 WeakPolarHBondContact CE-OD2 3.47Å; H59-D450 IonicContact CE1-OD1 2.84Å; H59-D450 IonicContact CE1-OD2 3.68Å; R448-D450 PolarHBondContact O-N 3.13Å; D450-S452 PolarHBondContact O-N 3.37Å; D450-W453 WeakPolarHBondContact O-CB 3.5Å; D450-W453 PolarHBondContact O-N 3.49Å; D450-W453 VanDerWaalsContact O-N 3.17Å; D450-V454 WeakPolarHBondContact O-CB 3.47Å; D450-V454 VanDerWaalsContact O-CG2 3.26Å; D450-V454 WeakPolarHBondContact O-CG2 3.45Å; D450-V454 PolarHBondContact O-N 3.46Å
451	E	92.1	Very high	91.3	Very high	100 Å²	100	57.3 Å²	57.3	47%	0.467	28%	0.283	S	S	.	.	H	α-helix	trans	-61.1	-47.7	177	-61.7	168.8	155.7	0	0	111.4	L447 R448 W449 W453 V454 Q455	L447-E451 HydrophobicContact CD2-CB 4.28Å; R448-E451 PolarHBondContact N-OE2 3.4Å; R448-E451 PolarHBondContact O-N 3.24Å; W449-E451 PolarHBondContact O-N 2.88Å; E451-W453 VanDerWaalsContact C-N 3.31Å; E451-W453 PolarHBondContact O-N 3.39Å; E451-V454 PolarHBondContact O-N 2.88Å; E451-Q455 WeakPolarHBondContact O-CG 3.42Å; E451-Q455 PolarHBondContact O-N 3.16Å
452	S	93.4	Very high	90.8	Very high	12 Å²	12	60.9 Å²	60.9	8%	0.084	30%	0.3	C	S	.	.	H	α-helix	trans	-63.6	-39	175.1	-176.2	0	0	0	0	111.3	R448 W449 D450 Q455 T456	R448-S452 PolarHBondContact O-N 3.3Å; W449-S452 PolarHBondContact O-N 2.91Å; D450-S452 PolarHBondContact O-N 3.37Å; S452-Q455 PolarHBondContact O-N 2.92Å; S452-T456 WeakPolarHBondContact O-CB 3.3Å; S452-T456 WeakPolarHBondContact O-CG2 3.26Å; S452-T456 PolarHBondContact O-N 2.91Å; S452-T456 VanDerWaalsContact O-N 3.13Å; S452-T456 PolarHBondContact O-OG1 3.38Å
453	W	95.3	Very high	89.1	Confident	1 Å²	1	62.1 Å²	62.1	0%	0.004	32%	0.315	C	S	.	.	H	α-helix	trans	-67.3	-40.9	-179.2	-171.3	92.3	0	0	0	111.8	H52 S55 L56 W449 D450 E451 Q455 T456 V457 L458 V461	H52-W453 AromaticContact CE1-CD1 3.6Å; H52-W453 AromaticContact CE1-NE1 3.34Å; H52-W453 PolarHBondContact CE1-NE1 3.04Å; H52-W453 VanDerWaalsContact CE1-NE1 3.34Å; H52-W453 AromaticContact ND1-CD1 3.37Å; H52-W453 AromaticContact ND1-CE2 3.97Å; H52-W453 AromaticContact ND1-NE1 2.85Å; H52-W453 PolarHBondContact ND1-NE1 3.38Å; S55-W453 VanDerWaalsContact CB-CD2 3.46Å; S55-W453 VanDerWaalsContact CB-CE3 3.47Å; L56-W453 HydrophobicContact CD2-CH2 3.76Å; L56-W453 HydrophobicContact CD2-CZ2 3.89Å; L56-W453 HydrophobicContact CG-CH2 4.02Å; L56-W453 HydrophobicContact CG-CZ2 3.88Å; W449-W453 AromaticContact CE2-CD1 3.94Å; W449-W453 AromaticContact CZ2-CD1 3.65Å; W449-W453 HydrophobicContact CZ2-CG 4.48Å; W449-W453 AromaticContact NE1-CD1 3.98Å; W449-W453 WeakPolarHBondContact O-CB 3.17Å; W449-W453 PolarHBondContact O-N 3.33Å; D450-W453 WeakPolarHBondContact O-CB 3.5Å; D450-W453 PolarHBondContact O-N 3.49Å; D450-W453 VanDerWaalsContact O-N 3.17Å; E451-W453 VanDerWaalsContact C-N 3.31Å; E451-W453 PolarHBondContact O-N 3.39Å; W453-Q455 VanDerWaalsContact C-N 3.31Å; W453-Q455 PolarHBondContact O-N 3.5Å; W453-T456 PolarHBondContact O-N 3.47Å; W453-V457 HydrophobicContact CD2-CB 3.93Å; W453-V457 HydrophobicContact CD2-CG1 4.43Å; W453-V457 VanDerWaalsContact CE2-CB 3.48Å; W453-V457 HydrophobicContact CG-CB 4.13Å; W453-V457 HydrophobicContact CG-CG2 4.3Å; W453-V457 HydrophobicContact CH2-CG1 4.38Å; W453-V457 HydrophobicContact CZ2-CB 3.88Å; W453-V457 HydrophobicContact CZ2-CG1 3.47Å; W453-V457 VanDerWaalsContact CZ2-CG1 3.47Å; W453-V457 VanDerWaalsContact NE1-CB 3.35Å; W453-V457 PolarHBondContact O-N 3.05Å; W453-L458 HydrophobicContact CE3-CB 4.16Å; W453-L458 HydrophobicContact CH2-CB 4.27Å; W453-L458 HydrophobicContact CH2-CD1 4.13Å; W453-L458 HydrophobicContact CZ3-CB 3.68Å; W453-L458 HydrophobicContact CZ3-CD1 3.84Å; W453-L458 HydrophobicContact CZ3-CG 4.28Å; W453-L458 PolarHBondContact O-N 3.31Å; W453-V461 HydrophobicContact CH2-CG2 4.44Å
454	V	95.5	Very high	87.1	Confident	48 Å²	48	60.8 Å²	60.8	29%	0.291	32%	0.317	S	S	.	.	H	α-helix	trans	-62	-39	175	168.1	0	0	0	0	111.5	H59 D450 E451 L458 P459	H59-V454 WeakPolarHBondContact CE1-CG2 3.44Å; H59-V454 VanDerWaalsContact NE2-CG2 3.3Å; H59-V454 WeakPolarHBondContact NE2-CG2 3.47Å; D450-V454 WeakPolarHBondContact O-CB 3.47Å; D450-V454 VanDerWaalsContact O-CG2 3.26Å; D450-V454 WeakPolarHBondContact O-CG2 3.45Å; D450-V454 PolarHBondContact O-N 3.46Å; E451-V454 PolarHBondContact O-N 2.88Å; V454-L458 HydrophobicContact CG1-CD2 4.1Å; V454-L458 HydrophobicContact CG2-CD2 4.41Å; V454-P459 WeakPolarHBondContact O-CD 3.34Å
455	Q	95.1	Very high	87.2	Confident	127 Å²	127	61 Å²	61	59%	0.593	31%	0.313	S	S	*	.	H	α-helix	trans	-73	-27.8	178.6	-68.2	177.9	17.1	0	0	113.1	E451 S452 W453	E451-Q455 WeakPolarHBondContact O-CG 3.42Å; E451-Q455 PolarHBondContact O-N 3.16Å; S452-Q455 PolarHBondContact O-N 2.92Å; W453-Q455 VanDerWaalsContact C-N 3.31Å; W453-Q455 PolarHBondContact O-N 3.5Å
456	T	95.2	Very high	88.1	Confident	40 Å²	40	54.9 Å²	54.9	25%	0.245	29%	0.286	C	S	.	.	H	α-helix	trans	-110.7	-49.4	-168.4	55.3	0	0	0	0	114.3	S452 W453 L460	S452-T456 WeakPolarHBondContact O-CB 3.3Å; S452-T456 WeakPolarHBondContact O-CG2 3.26Å; S452-T456 PolarHBondContact O-N 2.91Å; S452-T456 VanDerWaalsContact O-N 3.13Å; S452-T456 PolarHBondContact O-OG1 3.38Å; W453-T456 PolarHBondContact O-N 3.47Å; T456-L460 WeakPolarHBondContact O-CD1 3.49Å; T456-L460 WeakPolarHBondContact O-CG 3.11Å
457	V	96.6	Very high	88.6	Confident	1 Å²	1	55 Å²	55	1%	0.006	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-39	-171	-177.8	0	0	0	0	111.9	F128 L193 V214 W453 P459 L460 V461	F128-V457 HydrophobicContact CE1-CG1 4.19Å; F128-V457 HydrophobicContact CZ-CG1 4.2Å; L193-V457 HydrophobicContact CD1-CG1 4.18Å; L193-V457 HydrophobicContact CD1-CG2 4.07Å; L193-V457 HydrophobicContact CD2-CG2 4.44Å; V214-V457 HydrophobicContact CB-CG2 4.49Å; V214-V457 HydrophobicContact CG1-CG2 4.07Å; V214-V457 HydrophobicContact CG2-CG2 3.58Å; W453-V457 HydrophobicContact CD2-CB 3.93Å; W453-V457 HydrophobicContact CD2-CG1 4.43Å; W453-V457 VanDerWaalsContact CE2-CB 3.48Å; W453-V457 HydrophobicContact CG-CB 4.13Å; W453-V457 HydrophobicContact CG-CG2 4.3Å; W453-V457 HydrophobicContact CH2-CG1 4.38Å; W453-V457 HydrophobicContact CZ2-CB 3.88Å; W453-V457 HydrophobicContact CZ2-CG1 3.47Å; W453-V457 VanDerWaalsContact CZ2-CG1 3.47Å; W453-V457 VanDerWaalsContact NE1-CB 3.35Å; W453-V457 PolarHBondContact O-N 3.05Å; V457-P459 VanDerWaalsContact C-CD 3.48Å; V457-L460 WeakPolarHBondContact O-CB 3.39Å; V457-L460 PolarHBondContact O-N 3.36Å; V457-V461 PolarHBondContact O-N 2.99Å
458	L	95.9	Very high	88.7	Confident	17 Å²	17	54.5 Å²	54.5	9%	0.089	29%	0.286	C	S	.	.	H	α-helix	trans	-54.6	-44.7	-177.8	-176.3	64.9	0	0	0	113.2	H59 F61 W453 V454 L460 V461 M462	H59-L458 HydrophobicContact CB-CD1 3.85Å; F61-L458 HydrophobicContact CE2-CD1 4.36Å; W453-L458 HydrophobicContact CE3-CB 4.16Å; W453-L458 HydrophobicContact CH2-CB 4.27Å; W453-L458 HydrophobicContact CH2-CD1 4.13Å; W453-L458 HydrophobicContact CZ3-CB 3.68Å; W453-L458 HydrophobicContact CZ3-CD1 3.84Å; W453-L458 HydrophobicContact CZ3-CG 4.28Å; W453-L458 PolarHBondContact O-N 3.31Å; V454-L458 HydrophobicContact CG1-CD2 4.1Å; V454-L458 HydrophobicContact CG2-CD2 4.41Å; L458-L460 PolarHBondContact O-N 2.91Å; L458-V461 HydrophobicContact CD1-CG2 4.33Å; L458-V461 VanDerWaalsContact O-CG2 3.28Å; L458-V461 WeakPolarHBondContact O-CG2 3.48Å; L458-V461 PolarHBondContact O-N 2.89Å; L458-M462 HydrophobicContact CD1-CG 3.7Å; L458-M462 HydrophobicContact CD1-SD 3.49Å; L458-M462 WeakPolarHBondContact CD1-SD 3.38Å; L458-M462 HydrophobicContact CD2-SD 3.92Å; L458-M462 HydrophobicContact CG-CG 4.03Å; L458-M462 HydrophobicContact CG-SD 3.54Å; L458-M462 VanDerWaalsContact CG-SD 3.54Å; L458-M462 WeakPolarHBondContact O-CB 3.36Å; L458-M462 WeakPolarHBondContact O-CG 3.39Å; L458-M462 PolarHBondContact O-N 3.33Å
459	P	95.8	Very high	88.7	Confident	51 Å²	51	52.9 Å²	52.9	33%	0.331	28%	0.284	S	S	.	.	H	α-helix	trans	-59.6	-36.9	177.8	-23.7	35.6	0	0	0	112.3	V454 V457 V461 M462 D463	V454-P459 WeakPolarHBondContact O-CD 3.34Å; V457-P459 VanDerWaalsContact C-CD 3.48Å; P459-V461 PolarHBondContact O-N 3.41Å; P459-M462 PolarHBondContact O-N 3.32Å; P459-D463 WeakPolarHBondContact O-CB 3.38Å; P459-D463 PolarHBondContact O-N 3.38Å
460	L	93.9	Very high	88.5	Confident	52 Å²	52	55.5 Å²	55.5	27%	0.272	30%	0.3	S	S	.	.	H	α-helix	trans	-66	-26.7	-178.5	-52.6	177.8	0	0	0	113.3	L191 L193 V212 T456 V457 L458	L191-L460 HydrophobicContact CD1-CB 4.3Å; L193-L460 HydrophobicContact CD2-CD1 3.9Å; V212-L460 HydrophobicContact CB-CD1 4.27Å; V212-L460 HydrophobicContact CG1-CD1 4.36Å; V212-L460 HydrophobicContact CG2-CD1 4.06Å; T456-L460 WeakPolarHBondContact O-CD1 3.49Å; T456-L460 WeakPolarHBondContact O-CG 3.11Å; V457-L460 WeakPolarHBondContact O-CB 3.39Å; V457-L460 PolarHBondContact O-N 3.36Å; L458-L460 PolarHBondContact O-N 2.91Å
461	V	91.7	Very high	88.3	Confident	4 Å²	4	56.4 Å²	56.4	2%	0.024	31%	0.305	C	S	.	.	H	α-helix	trans	-103.2	-10.3	-179.7	-62.4	0	0	0	0	113.5	L56 F61 Y126 F128 W453 V457 L458 P459	L56-V461 HydrophobicContact CD2-CG2 4.48Å; F61-V461 HydrophobicContact CE2-CG2 4.4Å; F61-V461 HydrophobicContact CZ-CB 4.49Å; F61-V461 HydrophobicContact CZ-CG2 4.09Å; Y126-V461 HydrophobicContact CD1-CG1 4.37Å; Y126-V461 HydrophobicContact CD2-CB 4.35Å; Y126-V461 HydrophobicContact CD2-CG1 4.36Å; Y126-V461 HydrophobicContact CE1-CG1 4.3Å; Y126-V461 HydrophobicContact CE2-CB 4Å; Y126-V461 HydrophobicContact CE2-CG1 4.3Å; Y126-V461 HydrophobicContact CG-CG1 4.41Å; F128-V461 HydrophobicContact CE2-CG1 3.95Å; F128-V461 HydrophobicContact CZ-CG1 3.74Å; W453-V461 HydrophobicContact CH2-CG2 4.44Å; V457-V461 PolarHBondContact O-N 2.99Å; L458-V461 HydrophobicContact CD1-CG2 4.33Å; L458-V461 VanDerWaalsContact O-CG2 3.28Å; L458-V461 WeakPolarHBondContact O-CG2 3.48Å; L458-V461 PolarHBondContact O-N 2.89Å; P459-V461 PolarHBondContact O-N 3.41Å
462	M	85.3	Confident	88	Confident	82 Å²	82	53.1 Å²	53.1	40%	0.404	29%	0.293	S	S	.	.	H	α-helix	trans	-97.5	-29.1	177.1	-73.6	-167.4	71.3	0	0	114.1	L458 P459 T464	L458-M462 HydrophobicContact CD1-CG 3.7Å; L458-M462 HydrophobicContact CD1-SD 3.49Å; L458-M462 WeakPolarHBondContact CD1-SD 3.38Å; L458-M462 HydrophobicContact CD2-SD 3.92Å; L458-M462 HydrophobicContact CG-CG 4.03Å; L458-M462 HydrophobicContact CG-SD 3.54Å; L458-M462 VanDerWaalsContact CG-SD 3.54Å; L458-M462 WeakPolarHBondContact O-CB 3.36Å; L458-M462 WeakPolarHBondContact O-CG 3.39Å; L458-M462 PolarHBondContact O-N 3.33Å; P459-M462 PolarHBondContact O-N 3.32Å; M462-T464 PolarHBondContact O-N 3.1Å
463	D	59.3	Low	87.6	Confident	134 Å²	134	56.5 Å²	56.5	72%	0.717	31%	0.31	S	S	*	.			trans	-79.7	29.6	-172.6	-73.6	-19.2	0	0	0	114.8	P459	P459-D463 WeakPolarHBondContact O-CB 3.38Å; P459-D463 PolarHBondContact O-N 3.38Å
464	T	51.1	Low	86.9	Confident	121 Å²	121	61.5 Å²	61.5	74%	0.742	34%	0.338	S	S	*	.			trans	-144.5	0	-178.6	75.4	0	0	0	0	112.2	Y126 K151 M462	Y126-T464 PolarHBondContact OH-OG1 3.3Å; K151-T464 PolarHBondContact NZ-OG1 3.07Å; M462-T464 PolarHBondContact O-N 3.1Å

Retrieved 464 of 464 residues in 380.3 ms (Link to these results)

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