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GDP-Man:Man(3)GlcNAc(2)-PP-Dol alpha-1,2-mannosyltransferase

GDP-Man:Man(3)GlcNAc(2)-PP-Dol alpha-1,2-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 fourth and fifth mannose residues to the dolichol-linked oligosaccharide chain, to produce Man(5)GlcNAc(2)-PP-dolichol core oligosaccharide. Man(5)GlcNAc(2)-PP-dolichol is a substrate for ALG3, the following enzyme in the biosynthetic pathway.

AlphaFold DB , UniProt , Accession G4VF13, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 500 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	65.2	Low	76.3	Confident	198 Å²	198	115.2 Å²	115.2	98%	0.975	59%	0.585	S	S	*	*				0	-52	0	-156.1	167.6	80.8	0	0	112	T3 F4 L5	M1-T3 PolarHBondContact O-N 3.37Å; M1-F4 WeakPolarHBondContact O-CB 3.45Å; M1-F4 PolarHBondContact O-N 3.17Å; M1-L5 PolarHBondContact O-N 3.48Å
2	M	73.8	Confident	77	Confident	149 Å²	149	119.2 Å²	119.2	73%	0.734	59%	0.59	S	S	*	*	H	α-helix	trans	-59.8	-42.7	-178.6	-157.3	160.5	80.1	0	0	114.1	F4 L5 I6	M2-F4 VanDerWaalsContact C-N 3.34Å; M2-F4 PolarHBondContact O-N 3.15Å; M2-L5 WeakPolarHBondContact O-CB 3.48Å; M2-L5 PolarHBondContact O-N 3.36Å; M2-I6 HydrophobicContact CG-CD1 4.22Å; M2-I6 VanDerWaalsContact O-CG1 3.28Å; M2-I6 WeakPolarHBondContact O-CG1 3.35Å; M2-I6 PolarHBondContact O-N 3.21Å
3	T	74.6	Confident	77.8	Confident	116 Å²	116	114.9 Å²	114.9	71%	0.712	58%	0.576	S	S	*	*	H	α-helix	trans	-63.7	-37	176.2	-10.1	0	0	0	0	113.1	M1 F7	M1-T3 PolarHBondContact O-N 3.37Å; T3-F7 WeakPolarHBondContact O-CB 3.06Å; T3-F7 PolarHBondContact O-N 2.71Å
4	F	74.3	Confident	78.6	Confident	136 Å²	136	114.1 Å²	114.1	60%	0.596	57%	0.573	S	S	*	*	H	α-helix	trans	-68.2	-40	175.5	-179.1	-103.9	0	0	0	111	M1 M2 F7 L8	M1-F4 WeakPolarHBondContact O-CB 3.45Å; M1-F4 PolarHBondContact O-N 3.17Å; M2-F4 VanDerWaalsContact C-N 3.34Å; M2-F4 PolarHBondContact O-N 3.15Å; F4-F7 PolarHBondContact O-N 3.45Å; F4-L8 HydrophobicContact CD1-CD1 3.86Å; F4-L8 HydrophobicContact CE1-CD1 3.44Å; F4-L8 VanDerWaalsContact CE1-CD1 3.44Å; F4-L8 HydrophobicContact CE1-CG 4.3Å; F4-L8 HydrophobicContact CZ-CD1 3.88Å; F4-L8 HydrophobicContact CZ-CG 4.37Å; F4-L8 WeakPolarHBondContact O-CG 3.49Å; F4-L8 PolarHBondContact O-N 3.46Å
5	L	76	Confident	79.1	Confident	100 Å²	100	111.3 Å²	111.3	52%	0.524	56%	0.56	S	S	.	*	H	α-helix	trans	-64.5	-44.8	175.4	-146.8	90.5	0	0	0	111.5	M1 M2 F7 L8 L9	M1-L5 PolarHBondContact O-N 3.48Å; M2-L5 WeakPolarHBondContact O-CB 3.48Å; M2-L5 PolarHBondContact O-N 3.36Å; L5-F7 PolarHBondContact O-N 2.97Å; L5-L8 PolarHBondContact O-N 2.74Å; L5-L9 HydrophobicContact CD2-CD1 4.35Å; L5-L9 WeakPolarHBondContact O-CB 3.09Å; L5-L9 VanDerWaalsContact O-CG 3.24Å; L5-L9 WeakPolarHBondContact O-CG 3.4Å; L5-L9 PolarHBondContact O-N 3.29Å
6	I	77.8	Confident	79.8	Confident	84 Å²	84	112.1 Å²	112.1	43%	0.431	56%	0.558	S	S	.	*	H	α-helix	trans	-62.5	-42.7	176.8	-67.3	164.1	0	0	0	110.8	M2 L8 L9 L10	M2-I6 HydrophobicContact CG-CD1 4.22Å; M2-I6 VanDerWaalsContact O-CG1 3.28Å; M2-I6 WeakPolarHBondContact O-CG1 3.35Å; M2-I6 PolarHBondContact O-N 3.21Å; I6-L8 PolarHBondContact O-N 3.27Å; I6-L9 PolarHBondContact O-N 3.15Å; I6-L10 HydrophobicContact CG2-CD1 3.93Å; I6-L10 HydrophobicContact CG2-CG 4.45Å; I6-L10 WeakPolarHBondContact O-CG 3.42Å; I6-L10 PolarHBondContact O-N 3.21Å
7	F	76.6	Confident	80.6	Confident	127 Å²	127	109.5 Å²	109.5	56%	0.557	55%	0.554	S	S	*	*	H	α-helix	trans	-60.3	-45.8	175.8	-179.9	-96.4	0	0	0	111.7	T3 F4 L5 L9 L10 V11	T3-F7 WeakPolarHBondContact O-CB 3.06Å; T3-F7 PolarHBondContact O-N 2.71Å; F4-F7 PolarHBondContact O-N 3.45Å; L5-F7 PolarHBondContact O-N 2.97Å; F7-L9 VanDerWaalsContact C-N 3.34Å; F7-L9 PolarHBondContact O-N 3.36Å; F7-L10 PolarHBondContact O-N 3.19Å; F7-V11 HydrophobicContact CD1-CG2 4.27Å; F7-V11 HydrophobicContact CD2-CG2 3.87Å; F7-V11 HydrophobicContact CE1-CB 4.42Å; F7-V11 HydrophobicContact CE1-CG2 4Å; F7-V11 HydrophobicContact CE2-CG2 3.58Å; F7-V11 HydrophobicContact CG-CG2 4.21Å; F7-V11 HydrophobicContact CZ-CB 4.47Å; F7-V11 HydrophobicContact CZ-CG2 3.66Å; F7-V11 VanDerWaalsContact O-CB 3.31Å; F7-V11 WeakPolarHBondContact O-CB 3.3Å; F7-V11 VanDerWaalsContact O-CG2 3.31Å; F7-V11 WeakPolarHBondContact O-CG2 3.11Å; F7-V11 PolarHBondContact O-N 3.14Å
8	L	76.7	Confident	81.2	Confident	81 Å²	81	106.6 Å²	106.6	42%	0.424	54%	0.539	S	S	.	.	H	α-helix	trans	-61.2	-42.7	175	-72.7	173.4	0	0	0	111.9	F4 L5 I6 L10 Y12	F4-L8 HydrophobicContact CD1-CD1 3.86Å; F4-L8 HydrophobicContact CE1-CD1 3.44Å; F4-L8 VanDerWaalsContact CE1-CD1 3.44Å; F4-L8 HydrophobicContact CE1-CG 4.3Å; F4-L8 HydrophobicContact CZ-CD1 3.88Å; F4-L8 HydrophobicContact CZ-CG 4.37Å; F4-L8 WeakPolarHBondContact O-CG 3.49Å; F4-L8 PolarHBondContact O-N 3.46Å; L5-L8 PolarHBondContact O-N 2.74Å; I6-L8 PolarHBondContact O-N 3.27Å; L8-L10 VanDerWaalsContact C-N 3.3Å; L8-L10 PolarHBondContact O-N 3.21Å; L8-Y12 WeakPolarHBondContact O-CB 3.31Å; L8-Y12 PolarHBondContact O-N 2.84Å
9	L	80.2	Confident	81.9	Confident	115 Å²	115	105 Å²	105	60%	0.602	53%	0.528	S	S	*	.	H	α-helix	trans	-66.4	-27.2	179.2	-73.4	168.7	0	0	0	113.5	L5 I6 F7 P13	L5-L9 HydrophobicContact CD2-CD1 4.35Å; L5-L9 WeakPolarHBondContact O-CB 3.09Å; L5-L9 VanDerWaalsContact O-CG 3.24Å; L5-L9 WeakPolarHBondContact O-CG 3.4Å; L5-L9 PolarHBondContact O-N 3.29Å; I6-L9 PolarHBondContact O-N 3.15Å; F7-L9 VanDerWaalsContact C-N 3.34Å; F7-L9 PolarHBondContact O-N 3.36Å; L9-P13 WeakPolarHBondContact O-CD 3.18Å; L9-P13 WeakPolarHBondContact O-CG 3.47Å
10	L	82	Confident	82.5	Confident	114 Å²	114	108 Å²	108	60%	0.597	53%	0.533	S	S	*	.	H	α-helix	trans	-90.7	-41.7	177.6	-69.5	173.6	0	0	0	112.7	I6 F7 L8 I14	I6-L10 HydrophobicContact CG2-CD1 3.93Å; I6-L10 HydrophobicContact CG2-CG 4.45Å; I6-L10 WeakPolarHBondContact O-CG 3.42Å; I6-L10 PolarHBondContact O-N 3.21Å; F7-L10 PolarHBondContact O-N 3.19Å; L8-L10 VanDerWaalsContact C-N 3.3Å; L8-L10 PolarHBondContact O-N 3.21Å; L10-I14 WeakPolarHBondContact O-CD1 3.2Å; L10-I14 VanDerWaalsContact O-CG1 3.32Å; L10-I14 WeakPolarHBondContact O-CG1 3.32Å
11	V	82.3	Confident	83.1	Confident	47 Å²	47	107.5 Å²	107.5	29%	0.285	53%	0.528	S	S	.	.	H	α-helix	trans	-78.7	-37.7	-173.6	173.9	0	0	0	0	111.8	F7 I14 I15	F7-V11 HydrophobicContact CD1-CG2 4.27Å; F7-V11 HydrophobicContact CD2-CG2 3.87Å; F7-V11 HydrophobicContact CE1-CB 4.42Å; F7-V11 HydrophobicContact CE1-CG2 4Å; F7-V11 HydrophobicContact CE2-CG2 3.58Å; F7-V11 HydrophobicContact CG-CG2 4.21Å; F7-V11 HydrophobicContact CZ-CB 4.47Å; F7-V11 HydrophobicContact CZ-CG2 3.66Å; F7-V11 VanDerWaalsContact O-CB 3.31Å; F7-V11 WeakPolarHBondContact O-CB 3.3Å; F7-V11 VanDerWaalsContact O-CG2 3.31Å; F7-V11 WeakPolarHBondContact O-CG2 3.11Å; F7-V11 PolarHBondContact O-N 3.14Å; V11-I14 PolarHBondContact O-N 3.2Å; V11-I15 HydrophobicContact CG1-CD1 3.59Å; V11-I15 HydrophobicContact CG1-CG1 4.12Å; V11-I15 WeakPolarHBondContact O-CG1 3.43Å; V11-I15 PolarHBondContact O-N 3.49Å
12	Y	84.2	Confident	84.6	Confident	163 Å²	163	98.1 Å²	98.1	64%	0.639	48%	0.482	S	S	*	.	H	α-helix	trans	-64	-45.8	-177.2	-171.4	-94.3	0	0	0	112.8	L8 I14 I15 F16	L8-Y12 WeakPolarHBondContact O-CB 3.31Å; L8-Y12 PolarHBondContact O-N 2.84Å; Y12-I14 VanDerWaalsContact C-N 3.31Å; Y12-I14 PolarHBondContact O-N 3.36Å; Y12-I15 PolarHBondContact O-N 2.9Å; Y12-F16 VanDerWaalsContact O-CB 3.31Å; Y12-F16 WeakPolarHBondContact O-CB 3.43Å; Y12-F16 PolarHBondContact O-N 3.15Å
13	P	88.4	Confident	85.6	Confident	64 Å²	64	99.2 Å²	99.2	42%	0.416	48%	0.478	S	S	.	.	H	α-helix	trans	-59.6	-39.8	173.7	-25.8	36.8	0	0	0	112.9	L9 F16 S17	L9-P13 WeakPolarHBondContact O-CD 3.18Å; L9-P13 WeakPolarHBondContact O-CG 3.47Å; P13-F16 PolarHBondContact O-N 2.82Å; P13-S17 WeakPolarHBondContact O-CB 3.35Å; P13-S17 PolarHBondContact O-N 2.95Å; P13-S17 PolarHBondContact O-OG 2.71Å
14	I	88.4	Confident	86.7	Confident	104 Å²	104	99.3 Å²	99.3	53%	0.533	47%	0.47	S	S	.	.	H	α-helix	trans	-63.1	-48.7	178.4	-65.7	169.2	0	0	0	110.7	L10 V11 Y12 F16 S17 I18	L10-I14 WeakPolarHBondContact O-CD1 3.2Å; L10-I14 VanDerWaalsContact O-CG1 3.32Å; L10-I14 WeakPolarHBondContact O-CG1 3.32Å; V11-I14 PolarHBondContact O-N 3.2Å; Y12-I14 VanDerWaalsContact C-N 3.31Å; Y12-I14 PolarHBondContact O-N 3.36Å; I14-F16 VanDerWaalsContact C-N 3.29Å; I14-F16 PolarHBondContact O-N 3.37Å; I14-S17 PolarHBondContact O-N 3.38Å; I14-I18 HydrophobicContact CG2-CD1 3.9Å; I14-I18 VanDerWaalsContact O-CG1 3.3Å; I14-I18 WeakPolarHBondContact O-CG1 3.45Å; I14-I18 PolarHBondContact O-N 3.33Å
15	I	86.7	Confident	87.7	Confident	72 Å²	72	97 Å²	97	37%	0.369	46%	0.457	S	S	.	.	H	α-helix	trans	-61.2	-42.2	177.1	-67.3	173.6	0	0	0	110.3	V11 Y12 I18 K19	V11-I15 HydrophobicContact CG1-CD1 3.59Å; V11-I15 HydrophobicContact CG1-CG1 4.12Å; V11-I15 WeakPolarHBondContact O-CG1 3.43Å; V11-I15 PolarHBondContact O-N 3.49Å; Y12-I15 PolarHBondContact O-N 2.9Å; I15-I18 PolarHBondContact O-N 3.37Å; I15-K19 HydrophobicContact CG2-CD 4.41Å; I15-K19 HydrophobicContact CG2-CG 4.45Å; I15-K19 WeakPolarHBondContact O-CB 3.29Å; I15-K19 WeakPolarHBondContact O-CG 3.37Å; I15-K19 PolarHBondContact O-N 2.95Å
16	F	89.9	Confident	88.7	Confident	123 Å²	123	93.7 Å²	93.7	54%	0.539	44%	0.439	S	S	.	.	H	α-helix	trans	-61.5	-46.3	177.3	-177.3	-94	0	0	0	111.7	Y12 P13 I14 I18 K19 W20	Y12-F16 VanDerWaalsContact O-CB 3.31Å; Y12-F16 WeakPolarHBondContact O-CB 3.43Å; Y12-F16 PolarHBondContact O-N 3.15Å; P13-F16 PolarHBondContact O-N 2.82Å; I14-F16 VanDerWaalsContact C-N 3.29Å; I14-F16 PolarHBondContact O-N 3.37Å; F16-I18 VanDerWaalsContact C-N 3.35Å; F16-I18 PolarHBondContact O-N 3.2Å; F16-K19 PolarHBondContact O-N 2.96Å; F16-W20 WeakPolarHBondContact O-CB 3.45Å; F16-W20 PolarHBondContact O-N 3.31Å
17	S	92.5	Very high	89.6	Confident	69 Å²	69	95.1 Å²	95.1	48%	0.483	44%	0.444	S	S	.	.	H	α-helix	trans	-60.8	-41.9	175.5	-64.4	0	0	0	0	112.2	P13 I14 W20 F21	P13-S17 WeakPolarHBondContact O-CB 3.35Å; P13-S17 PolarHBondContact O-N 2.95Å; P13-S17 PolarHBondContact O-OG 2.71Å; I14-S17 PolarHBondContact O-N 3.38Å; S17-W20 PolarHBondContact O-N 3.38Å; S17-F21 WeakPolarHBondContact O-CB 3.4Å; S17-F21 PolarHBondContact O-N 2.86Å
18	I	92.3	Very high	90.6	Very high	57 Å²	57	89.9 Å²	89.9	29%	0.292	42%	0.424	S	S	.	.	H	α-helix	trans	-62.5	-48.3	175.5	-69.9	167.4	0	0	0	110.5	I14 I15 F16 W20 F21 I22 F153 L176	I14-I18 HydrophobicContact CG2-CD1 3.9Å; I14-I18 VanDerWaalsContact O-CG1 3.3Å; I14-I18 WeakPolarHBondContact O-CG1 3.45Å; I14-I18 PolarHBondContact O-N 3.33Å; I15-I18 PolarHBondContact O-N 3.37Å; F16-I18 VanDerWaalsContact C-N 3.35Å; F16-I18 PolarHBondContact O-N 3.2Å; I18-W20 VanDerWaalsContact C-N 3.33Å; I18-W20 PolarHBondContact O-N 3.25Å; I18-F21 PolarHBondContact O-N 2.99Å; I18-I22 HydrophobicContact CG2-CD1 3.62Å; I18-I22 HydrophobicContact CG2-CG1 4.4Å; I18-I22 WeakPolarHBondContact O-CB 3.43Å; I18-I22 VanDerWaalsContact O-CG1 3.28Å; I18-I22 WeakPolarHBondContact O-CG1 3.44Å; I18-I22 PolarHBondContact O-N 2.88Å; I18-F153 HydrophobicContact CG2-CE1 4.43Å; I18-F153 HydrophobicContact CG2-CZ 4.18Å; I18-L176 HydrophobicContact CG2-CD2 4.19Å
19	K	93.7	Very high	91.6	Very high	76 Å²	76	86.4 Å²	86.4	33%	0.33	41%	0.406	S	S	.	.	H	α-helix	trans	-61.2	-41.3	177.4	-76	-169.7	177.9	-150.9	0	112.1	I15 F16 I22 R23 W175	I15-K19 HydrophobicContact CG2-CD 4.41Å; I15-K19 HydrophobicContact CG2-CG 4.45Å; I15-K19 WeakPolarHBondContact O-CB 3.29Å; I15-K19 WeakPolarHBondContact O-CG 3.37Å; I15-K19 PolarHBondContact O-N 2.95Å; F16-K19 PolarHBondContact O-N 2.96Å; K19-I22 PolarHBondContact O-N 2.79Å; K19-R23 WeakPolarHBondContact O-CB 3.3Å; K19-R23 PolarHBondContact O-N 3.38Å; K19-W175 WeakPolarHBondContact CE-O 3.34Å; K19-W175 PolarHBondContact NZ-O 3.33Å
20	W	94.4	Very high	92.5	Very high	164 Å²	164	82.4 Å²	82.4	62%	0.621	38%	0.384	S	S	*	.	H	α-helix	trans	-62.7	-46.3	176.7	178.8	83.4	0	0	0	111.3	F16 S17 I18 I22 R23 H24	F16-W20 WeakPolarHBondContact O-CB 3.45Å; F16-W20 PolarHBondContact O-N 3.31Å; S17-W20 PolarHBondContact O-N 3.38Å; I18-W20 VanDerWaalsContact C-N 3.33Å; I18-W20 PolarHBondContact O-N 3.25Å; W20-I22 PolarHBondContact O-N 3.37Å; W20-R23 PolarHBondContact O-N 3.37Å; W20-H24 PolarHBondContact O-N 2.94Å
21	F	96	Very high	93.2	Very high	98 Å²	98	83.5 Å²	83.5	43%	0.43	38%	0.38	S	S	.	.	H	α-helix	trans	-60.6	-46.1	175.3	179.8	-94.2	0	0	0	111.9	S17 I18 R23 H24 R25 F153	S17-F21 WeakPolarHBondContact O-CB 3.4Å; S17-F21 PolarHBondContact O-N 2.86Å; I18-F21 PolarHBondContact O-N 2.99Å; F21-R23 VanDerWaalsContact C-N 3.32Å; F21-R23 PolarHBondContact O-N 2.87Å; F21-H24 PolarHBondContact O-N 3.34Å; F21-R25 WeakPolarHBondContact O-CB 3.27Å; F21-R25 PolarHBondContact O-N 2.93Å; F21-F153 AromaticContact CD1-CD1 3.8Å; F21-F153 HydrophobicContact CD1-CD1 3.8Å; F21-F153 AromaticContact CD1-CE1 3.81Å; F21-F153 HydrophobicContact CD1-CE1 3.81Å; F21-F153 AromaticContact CE1-CD1 3.69Å; F21-F153 HydrophobicContact CE1-CD1 3.69Å; F21-F153 HydrophobicContact CE1-CE1 4.11Å
22	I	95.8	Very high	93.9	Very high	2 Å²	2	84.7 Å²	84.7	1%	0.01	39%	0.385	C	S	.	.	H	α-helix	trans	-61.8	-41.7	177.9	-71.8	167.6	0	0	0	110.7	I18 K19 W20 R25 K26 I152 F153 P156 L176 C177	I18-I22 HydrophobicContact CG2-CD1 3.62Å; I18-I22 HydrophobicContact CG2-CG1 4.4Å; I18-I22 WeakPolarHBondContact O-CB 3.43Å; I18-I22 VanDerWaalsContact O-CG1 3.28Å; I18-I22 WeakPolarHBondContact O-CG1 3.44Å; I18-I22 PolarHBondContact O-N 2.88Å; K19-I22 PolarHBondContact O-N 2.79Å; W20-I22 PolarHBondContact O-N 3.37Å; I22-R25 PolarHBondContact O-N 3.44Å; I22-K26 VanDerWaalsContact O-CB 3.27Å; I22-K26 WeakPolarHBondContact O-CB 3.34Å; I22-K26 PolarHBondContact O-N 3.35Å; I22-I152 HydrophobicContact CD1-CG2 3.6Å; I22-I152 HydrophobicContact CG1-CG2 3.93Å; I22-I152 HydrophobicContact CG2-CG2 4.16Å; I22-F153 HydrophobicContact CD1-CE1 4.26Å; I22-F153 HydrophobicContact CG1-CD1 4.19Å; I22-F153 HydrophobicContact CG1-CE1 3.98Å; I22-P156 HydrophobicContact CG2-CB 3.9Å; I22-P156 HydrophobicContact CG2-CG 4.01Å; I22-L176 HydrophobicContact CD1-CB 3.65Å; I22-L176 HydrophobicContact CD1-CD1 4.3Å; I22-L176 HydrophobicContact CD1-CG 4.46Å; I22-C177 HydrophobicContact CG2-CB 4.47Å
23	R	95.5	Very high	94.5	Very high	172 Å²	172	77.1 Å²	77.1	65%	0.649	36%	0.356	S	S	*	.	H	α-helix	trans	-61.9	-46.8	175.7	-178.2	176.5	179.6	150.7	-0.4	111.6	K19 W20 F21 R25 K26 H27	K19-R23 WeakPolarHBondContact O-CB 3.3Å; K19-R23 PolarHBondContact O-N 3.38Å; W20-R23 PolarHBondContact O-N 3.37Å; F21-R23 VanDerWaalsContact C-N 3.32Å; F21-R23 PolarHBondContact O-N 2.87Å; R23-R25 VanDerWaalsContact C-N 3.34Å; R23-K26 WeakPolarHBondContact O-CB 3.17Å; R23-K26 PolarHBondContact O-N 3.25Å; R23-H27 PolarHBondContact O-CD2 2.95Å; R23-H27 PolarHBondContact O-N 3.23Å
24	H	96.5	Very high	94.8	Very high	118 Å²	118	76.9 Å²	76.9	55%	0.546	35%	0.35	S	S	.	.	H	α-helix	trans	-60.6	-45.7	176.1	-178.8	-84.9	0	0	0	111.3	W20 F21 K26 H27 A28	W20-H24 PolarHBondContact O-N 2.94Å; F21-H24 PolarHBondContact O-N 3.34Å; H24-K26 VanDerWaalsContact C-N 3.32Å; H24-K26 PolarHBondContact O-N 2.93Å; H24-H27 PolarHBondContact O-N 3.35Å; H24-A28 PolarHBondContact O-N 3.24Å; H24-A28 VanDerWaalsContact O-N 3.07Å
25	R	96.8	Very high	95.1	Very high	86 Å²	86	78.2 Å²	78.2	33%	0.325	35%	0.354	S	S	.	.	H	α-helix	trans	-59.7	-42.4	175.8	-179.2	61.7	-178.3	162.2	8.7	111.7	F21 I22 R23 A28 V29 F153 R154 P156	F21-R25 WeakPolarHBondContact O-CB 3.27Å; F21-R25 PolarHBondContact O-N 2.93Å; I22-R25 PolarHBondContact O-N 3.44Å; R23-R25 VanDerWaalsContact C-N 3.34Å; R25-A28 PolarHBondContact O-N 3.35Å; R25-V29 HydrophobicContact CG-CG2 4.29Å; R25-V29 WeakPolarHBondContact O-CB 3.46Å; R25-V29 VanDerWaalsContact O-CG2 3.29Å; R25-V29 WeakPolarHBondContact O-CG2 3.28Å; R25-V29 PolarHBondContact O-N 2.93Å; R25-F153 WeakPolarHBondContact CG-O 3.07Å; R25-F153 PolarHBondContact NE-O 3.21Å; R25-R154 PolarHBondContact NE-O 3.08Å; R25-R154 VanDerWaalsContact NE-O 3.16Å; R25-R154 PolarHBondContact NH2-O 3.2Å; R25-P156 HydrophobicContact CB-CG 4.27Å; R25-P156 HydrophobicContact CG-CG 4.01Å
26	K	96.9	Very high	95.5	Very high	31 Å²	31	81.1 Å²	81.1	14%	0.135	36%	0.363	C	S	.	.	H	α-helix	trans	-59.1	-49	177.8	-172.7	166.7	-179.8	172	0	110.7	I22 R23 H24 A28 V29 H30 P156 P157 D158	I22-K26 VanDerWaalsContact O-CB 3.27Å; I22-K26 WeakPolarHBondContact O-CB 3.34Å; I22-K26 PolarHBondContact O-N 3.35Å; R23-K26 WeakPolarHBondContact O-CB 3.17Å; R23-K26 PolarHBondContact O-N 3.25Å; H24-K26 VanDerWaalsContact C-N 3.32Å; H24-K26 PolarHBondContact O-N 2.93Å; K26-A28 VanDerWaalsContact C-N 3.34Å; K26-A28 PolarHBondContact O-N 2.96Å; K26-V29 PolarHBondContact O-N 3.4Å; K26-H30 PolarHBondContact O-CD2 3.04Å; K26-H30 PolarHBondContact O-N 2.92Å; K26-P156 HydrophobicContact CB-CB 3.95Å; K26-P156 HydrophobicContact CB-CG 3.95Å; K26-P156 HydrophobicContact CD-CB 4.23Å; K26-P156 HydrophobicContact CG-CB 4.19Å; K26-P157 PolarHBondContact NZ-O 3.3Å; K26-D158 WeakPolarHBondContact CE-OD1 3.44Å; K26-D158 IonicContact NZ-OD1 2.69Å; K26-D158 PolarHBondContact NZ-OD1 3.11Å
27	H	96.7	Very high	95.6	Very high	115 Å²	115	77.3 Å²	77.3	53%	0.532	35%	0.346	S	S	.	.	H	α-helix	trans	-58.6	-43.3	175.8	-75.7	-66	0	0	0	112.9	R23 H24 H30 R31	R23-H27 PolarHBondContact O-CD2 2.95Å; R23-H27 PolarHBondContact O-N 3.23Å; H24-H27 PolarHBondContact O-N 3.35Å; H27-H30 PolarHBondContact O-N 3.26Å; H27-R31 PolarHBondContact O-N 2.9Å
28	A	97.5	Very high	95.6	Very high	17 Å²	17	77.3 Å²	77.3	14%	0.14	36%	0.357	C	S	.	.	H	α-helix	trans	-62.3	-47.6	176.3	0	0	0	0	0	111.7	H24 R25 K26 H30 R31 D32	H24-A28 PolarHBondContact O-N 3.24Å; H24-A28 VanDerWaalsContact O-N 3.07Å; R25-A28 PolarHBondContact O-N 3.35Å; K26-A28 VanDerWaalsContact C-N 3.34Å; K26-A28 PolarHBondContact O-N 2.96Å; A28-H30 PolarHBondContact O-N 3.47Å; A28-R31 PolarHBondContact O-N 2.88Å; A28-D32 PolarHBondContact O-N 2.73Å
29	V	97.6	Very high	95.6	Very high	8 Å²	8	75.5 Å²	75.5	5%	0.048	35%	0.348	C	S	.	.	H	α-helix	trans	-62.1	-40.9	179.1	169.2	0	0	0	0	111.8	R25 K26 R31 D32 L33 I45 C155	R25-V29 HydrophobicContact CG-CG2 4.29Å; R25-V29 WeakPolarHBondContact O-CB 3.46Å; R25-V29 VanDerWaalsContact O-CG2 3.29Å; R25-V29 WeakPolarHBondContact O-CG2 3.28Å; R25-V29 PolarHBondContact O-N 2.93Å; K26-V29 PolarHBondContact O-N 3.4Å; V29-R31 VanDerWaalsContact C-N 3.34Å; V29-R31 PolarHBondContact O-N 3.47Å; V29-D32 PolarHBondContact O-N 3.1Å; V29-L33 HydrophobicContact CG1-CD1 3.65Å; V29-L33 HydrophobicContact CG1-CG 4.04Å; V29-L33 WeakPolarHBondContact O-CB 3.03Å; V29-L33 VanDerWaalsContact O-CG 3.24Å; V29-L33 WeakPolarHBondContact O-CG 3.36Å; V29-L33 PolarHBondContact O-N 3.19Å; V29-I45 HydrophobicContact CG1-CD1 3.86Å; V29-C155 HydrophobicContact CG1-CB 4.4Å; V29-C155 VanDerWaalsContact CG1-SG 3.54Å
30	H	97.6	Very high	95.6	Very high	31 Å²	31	74.8 Å²	74.8	14%	0.144	35%	0.351	C	S	.	.	H	α-helix	trans	-56.5	-48.3	173.9	-87.4	-80.2	0	0	0	111.6	K26 H27 A28 D32 L33 M34 H43 D158	K26-H30 PolarHBondContact O-CD2 3.04Å; K26-H30 PolarHBondContact O-N 2.92Å; H27-H30 PolarHBondContact O-N 3.26Å; A28-H30 PolarHBondContact O-N 3.47Å; H30-D32 PolarHBondContact O-N 3.09Å; H30-L33 PolarHBondContact O-N 3.03Å; H30-M34 VanDerWaalsContact O-CB 3.24Å; H30-M34 WeakPolarHBondContact O-CB 3.47Å; H30-M34 PolarHBondContact O-N 3.23Å; H30-H43 PolarHBondContact CE1-O 3.32Å; H30-H43 AromaticContact CG-NE2 3.88Å; H30-H43 AromaticContact ND1-CD2 3.74Å; H30-H43 AromaticContact ND1-CE1 3.43Å; H30-H43 PolarHBondContact ND1-CE1 2.98Å; H30-H43 AromaticContact ND1-NE2 3.06Å; H30-H43 PolarHBondContact ND1-NE2 2.81Å; H30-H43 PolarHBondContact O-CE1 3.37Å; H30-D158 IonicContact CE1-OD2 3.06Å; H30-D158 PolarHBondContact CE1-OD2 3.16Å; H30-D158 IonicContact NE2-OD1 3.87Å; H30-D158 IonicContact NE2-OD2 3.34Å; H30-D158 PolarHBondContact NE2-OD2 3.37Å
31	R	97.4	Very high	95.5	Very high	137 Å²	137	70.8 Å²	70.8	52%	0.517	35%	0.353	S	S	.	.	H	α-helix	trans	-61	-46.6	178.1	-178.1	-172.7	59.1	-140.9	-8.5	111.3	H27 A28 V29 L33 M34 E35	H27-R31 PolarHBondContact O-N 2.9Å; A28-R31 PolarHBondContact O-N 2.88Å; V29-R31 VanDerWaalsContact C-N 3.34Å; V29-R31 PolarHBondContact O-N 3.47Å; R31-L33 VanDerWaalsContact C-N 3.33Å; R31-L33 PolarHBondContact O-N 3.15Å; R31-M34 WeakPolarHBondContact O-CB 3.22Å; R31-M34 PolarHBondContact O-N 3.45Å; R31-E35 WeakPolarHBondContact CG-OE1 3.47Å; R31-E35 WeakPolarHBondContact O-CG 3.39Å; R31-E35 PolarHBondContact O-N 3.33Å
32	D	97.4	Very high	95.5	Very high	72 Å²	72	71.6 Å²	71.6	39%	0.385	36%	0.362	S	S	.	.	H	α-helix	trans	-62.6	-40.2	-178.8	-60.2	-7.1	0	0	0	111.6	A28 V29 H30 K36	A28-D32 PolarHBondContact O-N 2.73Å; V29-D32 PolarHBondContact O-N 3.1Å; H30-D32 PolarHBondContact O-N 3.09Å; D32-K36 WeakPolarHBondContact O-CB 3.19Å; D32-K36 PolarHBondContact O-N 3.36Å
33	L	96.4	Very high	95.5	Very high	4 Å²	4	71.7 Å²	71.7	2%	0.021	36%	0.362	C	S	.	.	H	α-helix	trans	-73.5	-35.8	177.5	-64.8	176.6	0	0	0	112.4	V29 H30 R31 K36 Y37 I45 V78 V80 H117	V29-L33 HydrophobicContact CG1-CD1 3.65Å; V29-L33 HydrophobicContact CG1-CG 4.04Å; V29-L33 WeakPolarHBondContact O-CB 3.03Å; V29-L33 VanDerWaalsContact O-CG 3.24Å; V29-L33 WeakPolarHBondContact O-CG 3.36Å; V29-L33 PolarHBondContact O-N 3.19Å; H30-L33 PolarHBondContact O-N 3.03Å; R31-L33 VanDerWaalsContact C-N 3.33Å; R31-L33 PolarHBondContact O-N 3.15Å; L33-K36 PolarHBondContact O-N 2.87Å; L33-Y37 HydrophobicContact CB-CD2 4.26Å; L33-Y37 HydrophobicContact CD2-CD2 4.02Å; L33-Y37 HydrophobicContact CD2-CE2 3.61Å; L33-Y37 WeakPolarHBondContact O-CB 3.41Å; L33-Y37 WeakPolarHBondContact O-CD2 3.36Å; L33-Y37 PolarHBondContact O-N 3.48Å; L33-I45 HydrophobicContact CD1-CD1 3.72Å; L33-I45 HydrophobicContact CD1-CG1 3.88Å; L33-V78 HydrophobicContact CB-CG2 4.39Å; L33-V78 HydrophobicContact CD1-CG1 4.12Å; L33-V78 HydrophobicContact CD2-CG1 4.38Å; L33-V80 HydrophobicContact CD1-CG2 4.41Å; L33-H117 HydrophobicContact CD2-CB 4.13Å
34	M	95.1	Very high	95.6	Very high	59 Å²	59	67.1 Å²	67.1	29%	0.291	35%	0.347	S	S	.	.	H	α-helix	trans	-57.7	-51	172.8	-175.5	-165.4	71.4	0	0	110.8	H30 R31 G38 V39 A41	H30-M34 VanDerWaalsContact O-CB 3.24Å; H30-M34 WeakPolarHBondContact O-CB 3.47Å; H30-M34 PolarHBondContact O-N 3.23Å; R31-M34 WeakPolarHBondContact O-CB 3.22Å; R31-M34 PolarHBondContact O-N 3.45Å; M34-G38 WeakPolarHBondContact O-CA 3.43Å; M34-G38 PolarHBondContact O-N 2.91Å; M34-V39 HydrophobicContact CB-CG2 4.47Å; M34-V39 WeakPolarHBondContact CG-O 3.49Å; M34-A41 VanDerWaalsContact SD-CA 3.6Å; M34-A41 HydrophobicContact SD-CB 3.78Å
35	E	95.1	Very high	95.6	Very high	132 Å²	132	61.5 Å²	61.5	62%	0.617	32%	0.321	S	S	*	.	H	α-helix	trans	-65.4	-44.1	178.3	-70.4	173.2	-165.6	0	0	111.9	R31 Y37	R31-E35 WeakPolarHBondContact CG-OE1 3.47Å; R31-E35 WeakPolarHBondContact O-CG 3.39Å; R31-E35 PolarHBondContact O-N 3.33Å; E35-Y37 PolarHBondContact O-N 3.34Å
36	K	94.1	Very high	95.7	Very high	132 Å²	132	57.4 Å²	57.4	57%	0.574	31%	0.306	S	S	*	.	H	α-helix	trans	-65.3	-39.1	-177.9	-178.6	172.4	179.5	176	0	113.2	D32 L33	D32-K36 WeakPolarHBondContact O-CB 3.19Å; D32-K36 PolarHBondContact O-N 3.36Å; L33-K36 PolarHBondContact O-N 2.87Å
37	Y	93.2	Very high	95.8	Very high	44 Å²	44	56 Å²	56	17%	0.173	30%	0.3	C	S	.	.	H	α-helix	trans	-111.4	-4.4	-170.1	-63.3	-62.2	0	0	0	114.4	L33 E35 V39 V78 S114 I116 H117	L33-Y37 HydrophobicContact CB-CD2 4.26Å; L33-Y37 HydrophobicContact CD2-CD2 4.02Å; L33-Y37 HydrophobicContact CD2-CE2 3.61Å; L33-Y37 WeakPolarHBondContact O-CB 3.41Å; L33-Y37 WeakPolarHBondContact O-CD2 3.36Å; L33-Y37 PolarHBondContact O-N 3.48Å; E35-Y37 PolarHBondContact O-N 3.34Å; Y37-V39 PolarHBondContact O-N 3.03Å; Y37-V78 HydrophobicContact CD2-CG1 3.96Å; Y37-V78 HydrophobicContact CD2-CG2 4.39Å; Y37-V78 HydrophobicContact CE2-CG1 4.11Å; Y37-S114 WeakPolarHBondContact CD1-O 3.39Å; Y37-S114 WeakPolarHBondContact CE1-O 3.38Å; Y37-I116 PolarHBondContact OH-O 3.04Å; Y37-H117 HydrophobicContact CE2-CB 3.77Å; Y37-H117 AromaticContact CE2-CG 3.97Å; Y37-H117 AromaticContact CE2-ND1 3.53Å; Y37-H117 AromaticContact CZ-ND1 3.62Å; Y37-H117 VanDerWaalsContact OH-CA 3.27Å; Y37-H117 WeakPolarHBondContact OH-CA 3.47Å; Y37-H117 VanDerWaalsContact OH-CB 3.32Å; Y37-H117 WeakPolarHBondContact OH-CB 3.32Å; Y37-H117 PolarHBondContact OH-ND1 3.32Å
38	G	92.2	Very high	95.9	Very high	69 Å²	69	50.5 Å²	50.5	71%	0.711	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	25	179.8	0	0	0	0	0	113.7	M34	M34-G38 WeakPolarHBondContact O-CA 3.43Å; M34-G38 PolarHBondContact O-N 2.91Å
39	V	92.2	Very high	95.9	Very high	18 Å²	18	49.7 Å²	49.7	11%	0.109	27%	0.268	C	S	.	.			trans	-80.7	159.3	176.9	-65.7	0	0	0	0	111	M34 Y37 H43 V78 A115	M34-V39 HydrophobicContact CB-CG2 4.47Å; M34-V39 WeakPolarHBondContact CG-O 3.49Å; Y37-V39 PolarHBondContact O-N 3.03Å; V39-H43 HydrophobicContact CB-CB 4.07Å; V39-H43 HydrophobicContact CG2-CB 3.84Å; V39-H43 VanDerWaalsContact CG2-CG 3.49Å; V39-V78 HydrophobicContact CB-CG2 4.33Å; V39-V78 HydrophobicContact CG1-CG2 3.89Å; V39-V78 HydrophobicContact CG2-CG2 3.65Å; V39-A115 HydrophobicContact CG1-CB 4.49Å
40	P	93.1	Very high	95.9	Very high	61 Å²	61	49.6 Å²	49.6	40%	0.396	27%	0.267	S	S	.	.			trans	-61.1	157.2	177.8	-22.4	33.5	0	0	0	113.5	N42 H43 N76	P40-N42 WeakPolarHBondContact CB-OD1 3.43Å; P40-N42 PolarHBondContact O-N 3.32Å; P40-N42 VanDerWaalsContact O-N 3.16Å; P40-H43 WeakPolarHBondContact O-CB 3.47Å; P40-H43 PolarHBondContact O-N 3Å; P40-H43 PolarHBondContact O-ND1 3.04Å; P40-N76 WeakPolarHBondContact CB-OD1 3.25Å; P40-N76 WeakPolarHBondContact CD-OD1 3.26Å; P40-N76 VanDerWaalsContact CG-OD1 3.32Å; P40-N76 WeakPolarHBondContact CG-OD1 3.3Å
41	A	93.5	Very high	95.7	Very high	81 Å²	81	48.1 Å²	48.1	67%	0.669	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.9	-179.2	0	0	0	0	0	113.9	M34	M34-A41 VanDerWaalsContact SD-CA 3.6Å; M34-A41 HydrophobicContact SD-CB 3.78Å
42	N	94.3	Very high	95.3	Very high	114 Å²	114	45.3 Å²	45.3	61%	0.61	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96	19.7	177.4	68.2	-36	0	0	0	113.2	P40 N76	P40-N42 WeakPolarHBondContact CB-OD1 3.43Å; P40-N42 PolarHBondContact O-N 3.32Å; P40-N42 VanDerWaalsContact O-N 3.16Å; N42-N76 PolarHBondContact O-ND2 3.33Å
43	H	96.1	Very high	94.7	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.019	23%	0.232	C	C	.	.			trans	-60.9	156.7	177.2	71.7	-81.3	0	0	0	112.9	H30 V39 P40 N76	H30-H43 PolarHBondContact CE1-O 3.32Å; H30-H43 AromaticContact CG-NE2 3.88Å; H30-H43 AromaticContact ND1-CD2 3.74Å; H30-H43 AromaticContact ND1-CE1 3.43Å; H30-H43 PolarHBondContact ND1-CE1 2.98Å; H30-H43 AromaticContact ND1-NE2 3.06Å; H30-H43 PolarHBondContact ND1-NE2 2.81Å; H30-H43 PolarHBondContact O-CE1 3.37Å; V39-H43 HydrophobicContact CB-CB 4.07Å; V39-H43 HydrophobicContact CG2-CB 3.84Å; V39-H43 VanDerWaalsContact CG2-CG 3.49Å; P40-H43 WeakPolarHBondContact O-CB 3.47Å; P40-H43 PolarHBondContact O-N 3Å; P40-H43 PolarHBondContact O-ND1 3.04Å; H43-N76 CarbonylContact C-O 3.5Å; H43-N76 WeakPolarHBondContact CA-O 3.42Å; H43-N76 WeakPolarHBondContact CA-OD1 3.32Å; H43-N76 VanDerWaalsContact CB-O 3.31Å; H43-N76 WeakPolarHBondContact CB-O 3.47Å; H43-N76 WeakPolarHBondContact CB-OD1 3.49Å; H43-N76 PolarHBondContact N-OD1 2.95Å
44	K	97.5	Very high	94	Very high	77 Å²	77	43.2 Å²	43.2	34%	0.335	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	139.7	173.5	-62.9	-66.1	-175.4	175.6	0	111.4	N76 I77 V78 D158 L500	K44-N76 PolarHBondContact N-O 2.87Å; K44-I77 HydrophobicContact CB-CG2 4.3Å; K44-I77 CarbonylContact O-C 3.55Å; K44-I77 VanDerWaalsContact O-CA 3.27Å; K44-I77 WeakPolarHBondContact O-CA 3.39Å; K44-V78 PolarHBondContact O-N 3.48Å; K44-D158 WeakPolarHBondContact CA-OD2 3.34Å; K44-D158 HydrophobicContact CB-CB 4.37Å; K44-D158 HydrophobicContact CD-CB 3.93Å; K44-L500 HydrophobicContact CB-CD2 4.05Å; K44-L500 HydrophobicContact CG-CD2 4.38Å
45	I	98.2	Very high	93.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	113.2	171.8	-60	170.3	0	0	0	108.4	V29 L33 V80 P157 D158 V159	V29-I45 HydrophobicContact CG1-CD1 3.86Å; L33-I45 HydrophobicContact CD1-CD1 3.72Å; L33-I45 HydrophobicContact CD1-CG1 3.88Å; I45-V80 HydrophobicContact CG2-CB 4.2Å; I45-V80 HydrophobicContact CG2-CG2 3.57Å; I45-P157 HydrophobicContact CG2-CB 4.31Å; I45-D158 PolarHBondContact N-OD2 2.64Å; I45-D158 PolarHBondContact O-N 3.11Å; I45-V159 PolarHBondContact O-N 2.97Å
46	V	98.5	Very high	92.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	103.7	175.8	-175.7	0	0	0	0	108.8	F48 M70 I77 V78 I79 V80 V159 I161 L500	V46-F48 HydrophobicContact CG1-CD2 4.37Å; V46-F48 HydrophobicContact CG1-CE2 3.93Å; V46-M70 HydrophobicContact CB-CE 4.47Å; V46-M70 HydrophobicContact CG1-CE 3.77Å; V46-M70 HydrophobicContact CG1-SD 4.48Å; V46-M70 HydrophobicContact CG2-CE 4.2Å; V46-I77 HydrophobicContact CG2-CB 4.24Å; V46-I77 HydrophobicContact CG2-CD1 4.46Å; V46-I77 HydrophobicContact CG2-CG2 4.19Å; V46-V78 PolarHBondContact N-O 3.46Å; V46-I79 HydrophobicContact CB-CD1 3.81Å; V46-I79 HydrophobicContact CG1-CD1 4.14Å; V46-I79 HydrophobicContact CG2-CD1 4.42Å; V46-I79 WeakPolarHBondContact O-CA 3.43Å; V46-V80 PolarHBondContact O-N 3.41Å; V46-V159 CarbonylContact C-O 3.49Å; V46-V159 WeakPolarHBondContact CA-O 3.19Å; V46-V159 HydrophobicContact CG1-CB 4.28Å; V46-V159 HydrophobicContact CG1-CG1 4.31Å; V46-V159 HydrophobicContact CG2-CB 4.3Å; V46-I161 HydrophobicContact CG1-CD1 3.75Å; V46-I161 HydrophobicContact CG1-CG1 4.32Å; V46-L500 HydrophobicContact CG2-CD1 4.16Å; V46-L500 HydrophobicContact CG2-CD2 3.66Å
47	G	98.5	Very high	91.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	113.3	-177.1	0	0	0	0	0	113.1	V80 V159 Y160 I161	G47-V80 CarbonylContact C-O 3.52Å; G47-V80 WeakPolarHBondContact CA-O 3.37Å; G47-V159 PolarHBondContact N-O 3.47Å; G47-Y160 CarbonylContact O-C 3.5Å; G47-Y160 WeakPolarHBondContact O-CA 3.35Å; G47-I161 PolarHBondContact O-N 2.92Å
48	F	98.5	Very high	91.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	120.4	167.4	-74.4	-98.7	0	0	0	110.4	V46 H50 L63 A66 V67 M70 I79 V80 I81 Y82 I161 T163 W491	V46-F48 HydrophobicContact CG1-CD2 4.37Å; V46-F48 HydrophobicContact CG1-CE2 3.93Å; F48-H50 PolarHBondContact O-N 3.37Å; F48-L63 HydrophobicContact CB-CD1 3.86Å; F48-L63 HydrophobicContact CD1-CD1 3.48Å; F48-L63 VanDerWaalsContact CD1-CD1 3.48Å; F48-L63 HydrophobicContact CE1-CD1 4.16Å; F48-L63 HydrophobicContact CG-CD1 3.79Å; F48-A66 HydrophobicContact CE1-CB 4.24Å; F48-A66 HydrophobicContact CZ-CB 4.28Å; F48-V67 HydrophobicContact CD2-CG2 4.21Å; F48-V67 HydrophobicContact CE2-CG2 4.01Å; F48-V67 HydrophobicContact CZ-CG2 4.21Å; F48-M70 HydrophobicContact CE2-SD 4.02Å; F48-M70 HydrophobicContact CZ-SD 3.74Å; F48-I79 HydrophobicContact CD2-CG2 4.04Å; F48-I79 HydrophobicContact CE2-CD1 4.09Å; F48-I79 HydrophobicContact CE2-CG2 4.29Å; F48-V80 PolarHBondContact N-O 2.95Å; F48-I81 HydrophobicContact CB-CG1 4.49Å; F48-Y82 VanDerWaalsContact O-CD2 3.31Å; F48-Y82 WeakPolarHBondContact O-CD2 3.46Å; F48-Y82 PolarHBondContact O-N 3.19Å; F48-I161 WeakPolarHBondContact CA-O 3.37Å; F48-I161 HydrophobicContact CD1-CB 4.12Å; F48-I161 HydrophobicContact CD1-CG2 4.24Å; F48-I161 HydrophobicContact CE1-CB 4.24Å; F48-I161 HydrophobicContact CE1-CD1 4.07Å; F48-I161 HydrophobicContact CE1-CG2 4.09Å; F48-I161 HydrophobicContact CE2-CD1 4.11Å; F48-I161 HydrophobicContact CZ-CD1 3.78Å; F48-T163 HydrophobicContact CD1-CG2 3.73Å; F48-T163 HydrophobicContact CE1-CG2 3.99Å; F48-W491 AromaticContact CE1-CH2 3.93Å; F48-W491 HydrophobicContact CE1-CH2 3.93Å; F48-W491 AromaticContact CE1-CZ2 3.69Å; F48-W491 HydrophobicContact CE1-CZ2 3.69Å; F48-W491 HydrophobicContact CZ-CH2 4.45Å; F48-W491 AromaticContact CZ-CZ2 3.74Å; F48-W491 HydrophobicContact CZ-CZ2 3.74Å
49	F	97.9	Very high	91.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	102.6	169.2	-164.4	-92.1	0	0	0	109.2	P51 Y82 L121 V147 A151 Y160 I161 T164 F166 T169	F49-P51 HydrophobicContact CD1-CG 4.1Å; F49-P51 HydrophobicContact CE1-CG 3.62Å; F49-P51 HydrophobicContact CZ-CG 4.12Å; F49-Y82 HydrophobicContact CB-CD2 4.42Å; F49-Y82 HydrophobicContact CD2-CD2 4.24Å; F49-Y82 HydrophobicContact CD2-CG 4.36Å; F49-L121 HydrophobicContact CE2-CD1 4.01Å; F49-L121 HydrophobicContact CZ-CD1 4.18Å; F49-V147 HydrophobicContact CE2-CG1 4.15Å; F49-V147 HydrophobicContact CZ-CB 4.36Å; F49-V147 HydrophobicContact CZ-CG1 3.82Å; F49-A151 HydrophobicContact CD2-CB 4.37Å; F49-A151 HydrophobicContact CE2-CB 4.19Å; F49-Y160 HydrophobicContact CB-CE2 3.74Å; F49-Y160 WeakPolarHBondContact CB-OH 3.26Å; F49-Y160 HydrophobicContact CD2-CE2 4.22Å; F49-Y160 WeakPolarHBondContact CD2-OH 3.4Å; F49-Y160 HydrophobicContact CG-CE2 4.36Å; F49-Y160 WeakPolarHBondContact CG-OH 3.49Å; F49-I161 PolarHBondContact N-O 3.33Å; F49-T164 PolarHBondContact O-OG1 2.93Å; F49-F166 HydrophobicContact CD1-CB 4.15Å; F49-F166 HydrophobicContact CD1-CD2 4.06Å; F49-F166 HydrophobicContact CE1-CB 3.85Å; F49-F166 AromaticContact CE1-CD2 3.61Å; F49-F166 HydrophobicContact CE1-CD2 3.61Å; F49-F166 HydrophobicContact CE1-CE2 4.44Å; F49-F166 AromaticContact CE1-CG 3.95Å; F49-F166 HydrophobicContact CE1-CG 3.95Å; F49-T169 HydrophobicContact CD1-CG2 4.45Å; F49-T169 HydrophobicContact CE1-CG2 4.07Å; F49-T169 HydrophobicContact CE2-CG2 4.17Å; F49-T169 HydrophobicContact CZ-CG2 3.91Å
50	H	96.2	Very high	91.2	Very high	7 Å²	7	28.1 Å²	28.1	3%	0.032	18%	0.178	C	C	.	.			trans	-146	80.1	-178	-147.4	110.4	0	0	0	110.6	F48 Y52 L63 I81 Y82 T163 T164	F48-H50 PolarHBondContact O-N 3.37Å; H50-Y52 PolarHBondContact O-N 3.44Å; H50-L63 HydrophobicContact CB-CD1 4.25Å; H50-L63 HydrophobicContact CB-CD2 3.91Å; H50-I81 HydrophobicContact CB-CG2 4.5Å; H50-Y82 CarbonylContact C-O 3.51Å; H50-Y82 PolarHBondContact N-O 3.48Å; H50-Y82 VanDerWaalsContact N-O 3.16Å; H50-T163 PolarHBondContact CE1-O 3.1Å; H50-T163 PolarHBondContact ND1-OG1 3.48Å; H50-T164 WeakPolarHBondContact CA-OG1 3.22Å; H50-T164 PolarHBondContact ND1-OG1 2.8Å
51	P	94.3	Very high	91.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-54	-27	-174	-30	37.4	0	0	0	115.4	F49 T83 N84 L121 L127 F166	F49-P51 HydrophobicContact CD1-CG 4.1Å; F49-P51 HydrophobicContact CE1-CG 3.62Å; F49-P51 HydrophobicContact CZ-CG 4.12Å; P51-T83 PolarHBondContact O-OG1 2.8Å; P51-N84 PolarHBondContact O-N 3.44Å; P51-L121 HydrophobicContact CB-CD1 4.34Å; P51-L121 HydrophobicContact CG-CD1 4.08Å; P51-L127 HydrophobicContact CB-CD1 3.81Å; P51-L127 HydrophobicContact CG-CD1 3.48Å; P51-L127 VanDerWaalsContact CG-CD1 3.48Å; P51-F166 HydrophobicContact CG-CD2 4.31Å; P51-F166 HydrophobicContact CG-CE2 4.02Å
52	Y	88.3	Confident	91.3	Very high	78 Å²	78	21.6 Å²	21.6	31%	0.306	13%	0.128	S	C	.	.			trans	-124.9	72.2	-174.6	-49.6	-62.8	0	0	0	111.6	H50 N54	H50-Y52 PolarHBondContact O-N 3.44Å; Y52-N54 VanDerWaalsContact C-N 3.3Å; Y52-N54 PolarHBondContact O-N 3.23Å
53	C	85.4	Confident	91.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-10.6	-171.5	38.2	0	0	0	0	116.6	E60 L63 W64 T83 D85 C88	C53-E60 WeakPolarHBondContact O-CG 3.32Å; C53-L63 HydrophobicContact CB-CD2 4.03Å; C53-W64 HydrophobicContact CB-CZ2 4.04Å; C53-W64 PolarHBondContact O-NE1 2.78Å; C53-T83 PolarHBondContact SG-OG1 3.47Å; C53-D85 WeakPolarHBondContact SG-CB 3.39Å; C53-C88 WeakPolarHBondContact CB-SG 3.4Å; C53-C88 WeakPolarHBondContact SG-CB 3.31Å; C53-C88 CovalentContact SG-SG 2.08Å; C53-C88 PolarHBondContact SG-SG 3.31Å
54	N	82.4	Confident	91.3	Very high	31 Å²	31	16 Å²	16	17%	0.166	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.8	21.8	-164.9	-163.5	27.3	0	0	0	114.3	Y52 G56 D85 E87	Y52-N54 VanDerWaalsContact C-N 3.3Å; Y52-N54 PolarHBondContact O-N 3.23Å; N54-G56 PolarHBondContact O-N 3.21Å; N54-D85 VanDerWaalsContact CB-OD2 3.24Å; N54-D85 WeakPolarHBondContact CB-OD2 3.34Å; N54-E87 PolarHBondContact ND2-OE2 3.42Å
55	S	76.7	Confident	91.2	Very high	40 Å²	40	12.6 Å²	12.6	28%	0.28	8%	0.084	S	C	.	.	S	Bend	trans	-83	2.9	-176.2	-41.1	0	0	0	0	114.1	G57 E60 R343	S55-G57 VanDerWaalsContact C-N 3.34Å; S55-G57 PolarHBondContact O-N 3.32Å; S55-E60 WeakPolarHBondContact CB-OE1 3.47Å; S55-E60 PolarHBondContact OG-OE1 3.05Å; S55-R343 VanDerWaalsContact O-CZ 3.24Å; S55-R343 PolarHBondContact O-NE 3.31Å; S55-R343 PolarHBondContact O-NH2 2.79Å
56	G	76.3	Confident	91.2	Very high	26 Å²	26	12.6 Å²	12.6	27%	0.268	8%	0.084	S	C	.	.			trans	68.5	22.6	174.7	0	0	0	0	0	115.7	N54	N54-G56 PolarHBondContact O-N 3.21Å
57	G	81.7	Confident	91.1	Very high	9 Å²	9	12.6 Å²	12.6	9%	0.093	8%	0.084	C	C	.	.	S	Bend	trans	-93.2	179.1	176.1	0	0	0	0	0	113.3	S55 G59 E60 R61 F103	S55-G57 VanDerWaalsContact C-N 3.34Å; S55-G57 PolarHBondContact O-N 3.32Å; G57-G59 PolarHBondContact O-N 3.37Å; G57-E60 WeakPolarHBondContact CA-OE2 3.28Å; G57-E60 PolarHBondContact N-OE2 3.08Å; G57-E60 PolarHBondContact O-N 2.97Å; G57-E60 VanDerWaalsContact O-OE2 3.13Å; G57-R61 PolarHBondContact O-N 3.03Å; G57-F103 WeakPolarHBondContact O-CE1 3.46Å; G57-F103 WeakPolarHBondContact O-CZ 3.35Å
58	G	86.3	Confident	90.9	Very high	32 Å²	32	15 Å²	15	33%	0.33	9%	0.094	S	C	.	.	H	α-helix	trans	-66	-24.8	177.2	0	0	0	0	0	114.2	R61 V62	G58-R61 WeakPolarHBondContact O-CB 3.24Å; G58-R61 PolarHBondContact O-N 3.46Å; G58-V62 PolarHBondContact O-N 2.98Å
59	G	90.4	Very high	90.7	Very high	15 Å²	15	15.1 Å²	15.1	16%	0.155	10%	0.095	C	C	.	.	H	α-helix	trans	-69.2	-42.6	176.5	0	0	0	0	0	112.6	G57 R61 V62 L63	G57-G59 PolarHBondContact O-N 3.37Å; G59-R61 VanDerWaalsContact C-N 3.29Å; G59-R61 PolarHBondContact O-N 3.01Å; G59-V62 PolarHBondContact O-N 3.41Å; G59-L63 PolarHBondContact O-N 2.86Å
60	E	91.4	Very high	90.6	Very high	15 Å²	15	15.1 Å²	15.1	7%	0.07	10%	0.095	C	C	.	.	H	α-helix	trans	-66.7	-34.4	176.1	-62.5	82.4	170.8	0	0	111	C53 S55 G57 L63 W64 F103	C53-E60 WeakPolarHBondContact O-CG 3.32Å; S55-E60 WeakPolarHBondContact CB-OE1 3.47Å; S55-E60 PolarHBondContact OG-OE1 3.05Å; G57-E60 WeakPolarHBondContact CA-OE2 3.28Å; G57-E60 PolarHBondContact N-OE2 3.08Å; G57-E60 PolarHBondContact O-N 2.97Å; G57-E60 VanDerWaalsContact O-OE2 3.13Å; E60-L63 WeakPolarHBondContact O-CB 3.18Å; E60-L63 PolarHBondContact O-N 3.21Å; E60-W64 PolarHBondContact O-N 2.88Å; E60-F103 HydrophobicContact CB-CE2 4Å; E60-F103 HydrophobicContact CB-CZ 3.96Å
61	R	92.3	Very high	90.5	Very high	6 Å²	6	15.7 Å²	15.7	2%	0.023	10%	0.098	C	C	.	.	H	α-helix	trans	-58.4	-49.7	171.6	-169.4	-174.8	-174.9	131.5	12.2	111.9	G57 G58 G59 L63 W64 T65 F103 I105 P278 P280 E403 E484	G57-R61 PolarHBondContact O-N 3.03Å; G58-R61 WeakPolarHBondContact O-CB 3.24Å; G58-R61 PolarHBondContact O-N 3.46Å; G59-R61 VanDerWaalsContact C-N 3.29Å; G59-R61 PolarHBondContact O-N 3.01Å; R61-L63 VanDerWaalsContact C-N 3.35Å; R61-L63 PolarHBondContact O-N 2.92Å; R61-W64 PolarHBondContact O-N 3.36Å; R61-T65 PolarHBondContact O-N 2.89Å; R61-T65 PolarHBondContact O-OG1 2.91Å; R61-T65 VanDerWaalsContact O-OG1 3.06Å; R61-F103 HydrophobicContact CB-CD1 3.88Å; R61-F103 HydrophobicContact CB-CE1 3.84Å; R61-F103 HydrophobicContact CB-CG 4.3Å; R61-F103 HydrophobicContact CB-CZ 4.22Å; R61-F103 HydrophobicContact CG-CD1 4.04Å; R61-F103 HydrophobicContact CG-CE1 4.5Å; R61-F103 HydrophobicContact CG-CG 4.28Å; R61-I105 HydrophobicContact CG-CD1 4.29Å; R61-P278 VanDerWaalsContact CD-O 3.28Å; R61-P278 WeakPolarHBondContact CD-O 3.46Å; R61-P278 HydrophobicContact CG-CG 4.35Å; R61-P278 PolarHBondContact NE-O 2.7Å; R61-P280 VanDerWaalsContact CZ-CD 3.45Å; R61-P280 VanDerWaalsContact NH2-N 3.12Å; R61-E403 IonicContact NH1-OE1 2.69Å; R61-E403 PolarHBondContact NH1-OE1 2.95Å; R61-E484 IonicContact CZ-OE1 3.01Å; R61-E484 IonicContact NE-OE1 3.64Å; R61-E484 IonicContact NH2-OE1 3.27Å; R61-E484 PolarHBondContact NH2-OE1 2.87Å
62	V	96.1	Very high	90.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-57.7	-48.3	176.2	168.8	0	0	0	0	110.9	G58 G59 W64 A66 Y184 P277 F487	G58-V62 PolarHBondContact O-N 2.98Å; G59-V62 PolarHBondContact O-N 3.41Å; V62-W64 PolarHBondContact O-N 2.96Å; V62-A66 VanDerWaalsContact O-CB 3.23Å; V62-A66 WeakPolarHBondContact O-CB 3.2Å; V62-A66 PolarHBondContact O-N 3.42Å; V62-Y184 HydrophobicContact CB-CE1 4.35Å; V62-Y184 HydrophobicContact CG1-CD1 3.71Å; V62-Y184 HydrophobicContact CG1-CD2 4.27Å; V62-Y184 HydrophobicContact CG1-CE1 3.7Å; V62-Y184 HydrophobicContact CG1-CE2 4.25Å; V62-Y184 HydrophobicContact CG1-CG 4Å; V62-Y184 HydrophobicContact CG2-CE1 3.89Å; V62-P277 HydrophobicContact CG2-CB 3.68Å; V62-F487 HydrophobicContact CG1-CE2 4.1Å; V62-F487 HydrophobicContact CG1-CZ 3.91Å
63	L	96.5	Very high	90.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-53.2	-54.5	177.3	172.5	69.6	0	0	0	111.1	F48 H50 C53 G59 E60 R61 A66 V67	F48-L63 HydrophobicContact CB-CD1 3.86Å; F48-L63 HydrophobicContact CD1-CD1 3.48Å; F48-L63 VanDerWaalsContact CD1-CD1 3.48Å; F48-L63 HydrophobicContact CE1-CD1 4.16Å; F48-L63 HydrophobicContact CG-CD1 3.79Å; H50-L63 HydrophobicContact CB-CD1 4.25Å; H50-L63 HydrophobicContact CB-CD2 3.91Å; C53-L63 HydrophobicContact CB-CD2 4.03Å; G59-L63 PolarHBondContact O-N 2.86Å; E60-L63 WeakPolarHBondContact O-CB 3.18Å; E60-L63 PolarHBondContact O-N 3.21Å; R61-L63 VanDerWaalsContact C-N 3.35Å; R61-L63 PolarHBondContact O-N 2.92Å; L63-A66 PolarHBondContact O-N 3.24Å; L63-V67 HydrophobicContact CD1-CG2 4.09Å; L63-V67 HydrophobicContact CG-CG2 4.46Å; L63-V67 WeakPolarHBondContact O-CB 3.47Å; L63-V67 VanDerWaalsContact O-CG2 3.28Å; L63-V67 WeakPolarHBondContact O-CG2 3.35Å; L63-V67 PolarHBondContact O-N 2.92Å
64	W	94.6	Very high	91.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-74.3	-32.1	-171.2	-70.9	116.5	0	0	0	113.4	C53 E60 R61 V62 V67 K68 I81 V95 F96 I99 I105 F107 I116 F118	C53-W64 HydrophobicContact CB-CZ2 4.04Å; C53-W64 PolarHBondContact O-NE1 2.78Å; E60-W64 PolarHBondContact O-N 2.88Å; R61-W64 PolarHBondContact O-N 3.36Å; V62-W64 PolarHBondContact O-N 2.96Å; W64-V67 HydrophobicContact CE3-CB 4.35Å; W64-V67 HydrophobicContact CE3-CG1 4.28Å; W64-V67 HydrophobicContact CZ3-CG1 4.32Å; W64-K68 VanDerWaalsContact O-CB 3.26Å; W64-K68 WeakPolarHBondContact O-CB 3.45Å; W64-K68 PolarHBondContact O-N 3.46Å; W64-I81 HydrophobicContact CH2-CD1 3.63Å; W64-I81 HydrophobicContact CZ2-CD1 4.25Å; W64-I81 HydrophobicContact CZ3-CD1 3.9Å; W64-V95 HydrophobicContact CH2-CG1 4.04Å; W64-V95 HydrophobicContact CZ2-CG1 3.67Å; W64-F96 HydrophobicContact CH2-CE1 4.29Å; W64-F96 AromaticContact CZ3-CE1 3.9Å; W64-F96 HydrophobicContact CZ3-CE1 3.9Å; W64-I99 HydrophobicContact CB-CG2 4.18Å; W64-I99 HydrophobicContact CD2-CD1 3.26Å; W64-I99 HydrophobicContact CD2-CG1 4.06Å; W64-I99 HydrophobicContact CE3-CD1 3.65Å; W64-I99 HydrophobicContact CG-CD1 3.65Å; W64-I99 HydrophobicContact CG-CG1 3.93Å; W64-I99 HydrophobicContact CG-CG2 4.29Å; W64-I99 HydrophobicContact CH2-CD1 3.97Å; W64-I99 HydrophobicContact CZ2-CD1 3.63Å; W64-I99 HydrophobicContact CZ3-CD1 3.99Å; W64-I105 HydrophobicContact CB-CD1 3.98Å; W64-F107 HydrophobicContact CE3-CE2 4.25Å; W64-F107 AromaticContact CE3-CZ 3.98Å; W64-F107 HydrophobicContact CE3-CZ 3.98Å; W64-F107 HydrophobicContact CZ3-CZ 4.42Å; W64-I116 HydrophobicContact CZ3-CD1 4.23Å; W64-F118 AromaticContact CH2-CE1 3.96Å; W64-F118 HydrophobicContact CH2-CE1 3.96Å; W64-F118 AromaticContact CH2-CZ 3.91Å; W64-F118 HydrophobicContact CH2-CZ 3.91Å
65	T	95.5	Very high	91.5	Very high	6 Å²	6	29 Å²	29	4%	0.037	16%	0.158	C	C	.	.	H	α-helix	trans	-66.8	-42.5	170.7	-55.3	0	0	0	0	111.1	R61 K68 C69 I105 P278 F487 I488	R61-T65 PolarHBondContact O-N 2.89Å; R61-T65 PolarHBondContact O-OG1 2.91Å; R61-T65 VanDerWaalsContact O-OG1 3.06Å; T65-K68 PolarHBondContact O-N 2.84Å; T65-C69 PolarHBondContact O-N 3.24Å; T65-C69 PolarHBondContact O-SG 3.2Å; T65-I105 WeakPolarHBondContact OG1-CD1 3.31Å; T65-P278 HydrophobicContact CG2-CB 3.81Å; T65-P278 HydrophobicContact CG2-CG 3.89Å; T65-P278 WeakPolarHBondContact OG1-CG 3.46Å; T65-F487 HydrophobicContact CG2-CD1 3.62Å; T65-F487 HydrophobicContact CG2-CE1 3.76Å; T65-I488 HydrophobicContact CG2-CG1 4.15Å
66	A	97.5	Very high	92.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.8	-48.3	175.9	0	0	0	0	0	112	F48 V62 L63 K68 C69 M70 F487 W491	F48-A66 HydrophobicContact CE1-CB 4.24Å; F48-A66 HydrophobicContact CZ-CB 4.28Å; V62-A66 VanDerWaalsContact O-CB 3.23Å; V62-A66 WeakPolarHBondContact O-CB 3.2Å; V62-A66 PolarHBondContact O-N 3.42Å; L63-A66 PolarHBondContact O-N 3.24Å; A66-K68 VanDerWaalsContact C-N 3.35Å; A66-K68 PolarHBondContact O-N 2.9Å; A66-C69 PolarHBondContact O-N 3.07Å; A66-C69 PolarHBondContact O-SG 3.44Å; A66-M70 WeakPolarHBondContact O-CB 3.04Å; A66-M70 WeakPolarHBondContact O-CG 3.29Å; A66-M70 PolarHBondContact O-N 2.98Å; A66-F487 HydrophobicContact CB-CE1 4.29Å; A66-F487 HydrophobicContact CB-CZ 4.21Å; A66-W491 HydrophobicContact CB-CD2 3.75Å; A66-W491 VanDerWaalsContact CB-CE2 3.46Å; A66-W491 HydrophobicContact CB-CE3 4.04Å; A66-W491 HydrophobicContact CB-CG 4.39Å; A66-W491 HydrophobicContact CB-CH2 3.85Å; A66-W491 HydrophobicContact CB-CZ2 3.55Å; A66-W491 HydrophobicContact CB-CZ3 4.07Å
67	V	95.8	Very high	93.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-58.6	-47.7	177.3	166.5	0	0	0	0	110.8	F48 L63 W64 M70 L71 I79 I81 I116	F48-V67 HydrophobicContact CD2-CG2 4.21Å; F48-V67 HydrophobicContact CE2-CG2 4.01Å; F48-V67 HydrophobicContact CZ-CG2 4.21Å; L63-V67 HydrophobicContact CD1-CG2 4.09Å; L63-V67 HydrophobicContact CG-CG2 4.46Å; L63-V67 WeakPolarHBondContact O-CB 3.47Å; L63-V67 VanDerWaalsContact O-CG2 3.28Å; L63-V67 WeakPolarHBondContact O-CG2 3.35Å; L63-V67 PolarHBondContact O-N 2.92Å; W64-V67 HydrophobicContact CE3-CB 4.35Å; W64-V67 HydrophobicContact CE3-CG1 4.28Å; W64-V67 HydrophobicContact CZ3-CG1 4.32Å; V67-M70 PolarHBondContact O-N 2.97Å; V67-L71 HydrophobicContact CG1-CD1 3.82Å; V67-L71 WeakPolarHBondContact O-CG 3.43Å; V67-L71 PolarHBondContact O-N 3.41Å; V67-I79 HydrophobicContact CG1-CG1 4.47Å; V67-I79 HydrophobicContact CG1-CG2 4.1Å; V67-I79 HydrophobicContact CG2-CG2 3.95Å; V67-I81 HydrophobicContact CG2-CD1 4.4Å; V67-I116 HydrophobicContact CG1-CD1 3.69Å; V67-I116 HydrophobicContact CG1-CG1 4.32Å
68	K	94.3	Very high	94	Very high	49 Å²	49	27.2 Å²	27.2	21%	0.213	14%	0.136	C	C	.	.	H	α-helix	trans	-58.5	-53.5	178.8	177.3	177.5	170.4	175.3	0	111.5	W64 T65 A66 M70 L71 E72 I105 C106 F107	W64-K68 VanDerWaalsContact O-CB 3.26Å; W64-K68 WeakPolarHBondContact O-CB 3.45Å; W64-K68 PolarHBondContact O-N 3.46Å; T65-K68 PolarHBondContact O-N 2.84Å; A66-K68 VanDerWaalsContact C-N 3.35Å; A66-K68 PolarHBondContact O-N 2.9Å; K68-M70 VanDerWaalsContact C-N 3.28Å; K68-M70 PolarHBondContact O-N 3.44Å; K68-L71 PolarHBondContact O-N 3.35Å; K68-E72 WeakPolarHBondContact CE-OE1 3.46Å; K68-E72 IonicContact NZ-OE1 3.95Å; K68-E72 WeakPolarHBondContact O-CG 3.42Å; K68-E72 PolarHBondContact O-N 3.35Å; K68-I105 HydrophobicContact CD-CG2 3.85Å; K68-C106 WeakPolarHBondContact CE-O 3.2Å; K68-C106 PolarHBondContact NZ-O 3.3Å; K68-F107 HydrophobicContact CB-CE1 4.07Å; K68-F107 HydrophobicContact CB-CZ 4.12Å; K68-F107 HydrophobicContact CG-CE1 4.45Å
69	C	94.7	Very high	94.6	Very high	4 Å²	4	25.7 Å²	25.7	3%	0.027	12%	0.121	C	C	.	.	H	α-helix	trans	-66.9	-31.9	-175.5	75.9	0	0	0	0	112.5	T65 A66 E72 K73 I488	T65-C69 PolarHBondContact O-N 3.24Å; T65-C69 PolarHBondContact O-SG 3.2Å; A66-C69 PolarHBondContact O-N 3.07Å; A66-C69 PolarHBondContact O-SG 3.44Å; C69-E72 PolarHBondContact O-N 3.34Å; C69-K73 VanDerWaalsContact O-CB 3.31Å; C69-K73 WeakPolarHBondContact O-CB 3.1Å; C69-K73 PolarHBondContact O-N 3.04Å; C69-I488 HydrophobicContact CB-CB 4.36Å; C69-I488 HydrophobicContact CB-CD1 4.47Å; C69-I488 HydrophobicContact CB-CG1 3.89Å; C69-I488 HydrophobicContact CB-CG2 3.82Å
70	M	96.1	Very high	94.9	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-66.6	-43.6	174.6	-72.1	-175.9	79.6	0	0	112.2	V46 F48 A66 V67 K68 E72 K73 Y74 I77 I79 W491 M495 L500	V46-M70 HydrophobicContact CB-CE 4.47Å; V46-M70 HydrophobicContact CG1-CE 3.77Å; V46-M70 HydrophobicContact CG1-SD 4.48Å; V46-M70 HydrophobicContact CG2-CE 4.2Å; F48-M70 HydrophobicContact CE2-SD 4.02Å; F48-M70 HydrophobicContact CZ-SD 3.74Å; A66-M70 WeakPolarHBondContact O-CB 3.04Å; A66-M70 WeakPolarHBondContact O-CG 3.29Å; A66-M70 PolarHBondContact O-N 2.98Å; V67-M70 PolarHBondContact O-N 2.97Å; K68-M70 VanDerWaalsContact C-N 3.28Å; K68-M70 PolarHBondContact O-N 3.44Å; M70-E72 VanDerWaalsContact C-N 3.31Å; M70-E72 PolarHBondContact O-N 3Å; M70-K73 PolarHBondContact O-N 3.18Å; M70-Y74 HydrophobicContact CB-CD2 4.14Å; M70-Y74 HydrophobicContact CE-CD2 4.39Å; M70-Y74 HydrophobicContact CE-CE2 4.32Å; M70-Y74 HydrophobicContact CG-CD2 4.37Å; M70-Y74 HydrophobicContact CG-CE2 4.27Å; M70-Y74 WeakPolarHBondContact O-CB 3.33Å; M70-Y74 WeakPolarHBondContact O-CD2 3.49Å; M70-Y74 PolarHBondContact O-N 3.37Å; M70-I77 HydrophobicContact CB-CD1 4.03Å; M70-I77 HydrophobicContact CE-CD1 4.42Å; M70-I79 HydrophobicContact CB-CD1 4.4Å; M70-W491 HydrophobicContact SD-CZ2 4.29Å; M70-W491 PolarHBondContact SD-NE1 2.97Å; M70-M495 HydrophobicContact CE-CB 4.44Å; M70-M495 HydrophobicContact CE-CG 4.02Å; M70-M495 HydrophobicContact CE-SD 4.27Å; M70-M495 HydrophobicContact SD-CG 4.23Å; M70-L500 HydrophobicContact CE-CD1 3.32Å
71	L	94.2	Very high	95.2	Very high	19 Å²	19	24.2 Å²	24.2	10%	0.099	11%	0.11	C	C	.	.	H	α-helix	trans	-67.7	-32.3	176.7	-70	168.7	0	0	0	112.5	V67 K68 K75 I79 D112 A115 I116	V67-L71 HydrophobicContact CG1-CD1 3.82Å; V67-L71 WeakPolarHBondContact O-CG 3.43Å; V67-L71 PolarHBondContact O-N 3.41Å; K68-L71 PolarHBondContact O-N 3.35Å; L71-K75 PolarHBondContact O-NZ 2.92Å; L71-I79 HydrophobicContact CD1-CG1 4.31Å; L71-I79 HydrophobicContact CD2-CG1 3.71Å; L71-I79 HydrophobicContact CG-CG1 3.87Å; L71-D112 WeakPolarHBondContact CD1-O 3.49Å; L71-A115 HydrophobicContact CD2-CB 4Å; L71-I116 HydrophobicContact CD1-CD1 3.68Å; L71-I116 HydrophobicContact CD1-CG1 3.6Å
72	E	92.8	Very high	95.5	Very high	96 Å²	96	24 Å²	24	45%	0.449	11%	0.109	S	C	.	.	H	α-helix	trans	-67	-43.5	173.1	-74.1	174.4	171	0	0	111.4	K68 C69 M70 K75	K68-E72 WeakPolarHBondContact CE-OE1 3.46Å; K68-E72 IonicContact NZ-OE1 3.95Å; K68-E72 WeakPolarHBondContact O-CG 3.42Å; K68-E72 PolarHBondContact O-N 3.35Å; C69-E72 PolarHBondContact O-N 3.34Å; M70-E72 VanDerWaalsContact C-N 3.31Å; M70-E72 PolarHBondContact O-N 3Å; E72-K75 WeakPolarHBondContact O-CE 3.37Å; E72-K75 PolarHBondContact O-NZ 2.82Å
73	K	93.7	Very high	95.5	Very high	124 Å²	124	24 Å²	24	54%	0.539	11%	0.109	S	C	.	.	H	α-helix	trans	-79.9	-48.7	-176.6	179.6	63.5	176.3	-175.2	0	114.3	C69 M70 I492	C69-K73 VanDerWaalsContact O-CB 3.31Å; C69-K73 WeakPolarHBondContact O-CB 3.1Å; C69-K73 PolarHBondContact O-N 3.04Å; M70-K73 PolarHBondContact O-N 3.18Å; K73-I492 HydrophobicContact CB-CD1 3.8Å; K73-I492 HydrophobicContact CD-CG2 4.47Å; K73-I492 HydrophobicContact CG-CD1 3.95Å; K73-I492 HydrophobicContact CG-CG2 4.21Å
74	Y	94	Very high	95.3	Very high	17 Å²	17	26.7 Å²	26.7	7%	0.067	12%	0.123	C	C	.	.			trans	-106.4	120.7	-170.7	-51.6	-71.4	0	0	0	110	M70 I77 I492 M495 N496 L500	M70-Y74 HydrophobicContact CB-CD2 4.14Å; M70-Y74 HydrophobicContact CE-CD2 4.39Å; M70-Y74 HydrophobicContact CE-CE2 4.32Å; M70-Y74 HydrophobicContact CG-CD2 4.37Å; M70-Y74 HydrophobicContact CG-CE2 4.27Å; M70-Y74 WeakPolarHBondContact O-CB 3.33Å; M70-Y74 WeakPolarHBondContact O-CD2 3.49Å; M70-Y74 PolarHBondContact O-N 3.37Å; Y74-I77 HydrophobicContact CD2-CD1 4.17Å; Y74-I77 HydrophobicContact CG-CD1 4.43Å; Y74-I492 HydrophobicContact CE2-CD1 3.73Å; Y74-I492 PolarHBondContact OH-O 3.41Å; Y74-M495 HydrophobicContact CE2-CB 4.3Å; Y74-N496 PolarHBondContact OH-OD1 3.45Å; Y74-L500 HydrophobicContact CD1-CB 3.66Å; Y74-L500 HydrophobicContact CD2-CB 4.21Å; Y74-L500 HydrophobicContact CD2-CD1 4.04Å; Y74-L500 HydrophobicContact CE1-CB 3.88Å; Y74-L500 HydrophobicContact CE2-CB 4.4Å; Y74-L500 HydrophobicContact CE2-CD1 3.88Å; Y74-L500 HydrophobicContact CG-CB 3.85Å
75	K	90.7	Very high	95.1	Very high	152 Å²	152	28 Å²	28	66%	0.661	13%	0.131	S	C	*	.	S	Bend	trans	-94.5	-10.1	-179.3	-56.2	-55.7	172.9	-162.7	0	113.8	L71 E72	L71-K75 PolarHBondContact O-NZ 2.92Å; E72-K75 WeakPolarHBondContact O-CE 3.37Å; E72-K75 PolarHBondContact O-NZ 2.82Å
76	N	93.7	Very high	94.7	Very high	33 Å²	33	31.2 Å²	31.2	18%	0.176	16%	0.157	C	C	.	.	S	Bend	trans	-107.4	32.4	-176.6	-164.6	31.3	0	0	0	112.2	P40 N42 H43 K44	P40-N76 WeakPolarHBondContact CB-OD1 3.25Å; P40-N76 WeakPolarHBondContact CD-OD1 3.26Å; P40-N76 VanDerWaalsContact CG-OD1 3.32Å; P40-N76 WeakPolarHBondContact CG-OD1 3.3Å; N42-N76 PolarHBondContact O-ND2 3.33Å; H43-N76 CarbonylContact C-O 3.5Å; H43-N76 WeakPolarHBondContact CA-O 3.42Å; H43-N76 WeakPolarHBondContact CA-OD1 3.32Å; H43-N76 VanDerWaalsContact CB-O 3.31Å; H43-N76 WeakPolarHBondContact CB-O 3.47Å; H43-N76 WeakPolarHBondContact CB-OD1 3.49Å; H43-N76 PolarHBondContact N-OD1 2.95Å; K44-N76 PolarHBondContact N-O 2.87Å
77	I	96.5	Very high	94.3	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.015	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	151.9	-179.2	66.7	170.6	0	0	0	111.8	K44 V46 M70 Y74 I79 L500	K44-I77 HydrophobicContact CB-CG2 4.3Å; K44-I77 CarbonylContact O-C 3.55Å; K44-I77 VanDerWaalsContact O-CA 3.27Å; K44-I77 WeakPolarHBondContact O-CA 3.39Å; V46-I77 HydrophobicContact CG2-CB 4.24Å; V46-I77 HydrophobicContact CG2-CD1 4.46Å; V46-I77 HydrophobicContact CG2-CG2 4.19Å; M70-I77 HydrophobicContact CB-CD1 4.03Å; M70-I77 HydrophobicContact CE-CD1 4.42Å; Y74-I77 HydrophobicContact CD2-CD1 4.17Å; Y74-I77 HydrophobicContact CG-CD1 4.43Å; I77-I79 HydrophobicContact CD1-CD1 3.61Å; I77-I79 HydrophobicContact CD1-CG1 4.23Å; I77-I79 HydrophobicContact CG1-CD1 4.48Å; I77-L500 HydrophobicContact CG2-CB 3.94Å; I77-L500 HydrophobicContact CG2-CD2 4.18Å
78	V	97.5	Very high	93.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	122.3	161.8	179.8	0	0	0	0	107.2	L33 Y37 V39 K44 V46 H117	L33-V78 HydrophobicContact CB-CG2 4.39Å; L33-V78 HydrophobicContact CD1-CG1 4.12Å; L33-V78 HydrophobicContact CD2-CG1 4.38Å; Y37-V78 HydrophobicContact CD2-CG1 3.96Å; Y37-V78 HydrophobicContact CD2-CG2 4.39Å; Y37-V78 HydrophobicContact CE2-CG1 4.11Å; V39-V78 HydrophobicContact CB-CG2 4.33Å; V39-V78 HydrophobicContact CG1-CG2 3.89Å; V39-V78 HydrophobicContact CG2-CG2 3.65Å; K44-V78 PolarHBondContact O-N 3.48Å; V46-V78 PolarHBondContact N-O 3.46Å; V78-H117 HydrophobicContact CG1-CB 4.23Å
79	I	97.8	Very high	93.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	121.9	173.6	-63.6	-54.7	0	0	0	108	V46 F48 V67 M70 L71 I77 I81 A115 I116 H117	V46-I79 HydrophobicContact CB-CD1 3.81Å; V46-I79 HydrophobicContact CG1-CD1 4.14Å; V46-I79 HydrophobicContact CG2-CD1 4.42Å; V46-I79 WeakPolarHBondContact O-CA 3.43Å; F48-I79 HydrophobicContact CD2-CG2 4.04Å; F48-I79 HydrophobicContact CE2-CD1 4.09Å; F48-I79 HydrophobicContact CE2-CG2 4.29Å; V67-I79 HydrophobicContact CG1-CG1 4.47Å; V67-I79 HydrophobicContact CG1-CG2 4.1Å; V67-I79 HydrophobicContact CG2-CG2 3.95Å; M70-I79 HydrophobicContact CB-CD1 4.4Å; L71-I79 HydrophobicContact CD1-CG1 4.31Å; L71-I79 HydrophobicContact CD2-CG1 3.71Å; L71-I79 HydrophobicContact CG-CG1 3.87Å; I77-I79 HydrophobicContact CD1-CD1 3.61Å; I77-I79 HydrophobicContact CD1-CG1 4.23Å; I77-I79 HydrophobicContact CG1-CD1 4.48Å; I79-I81 HydrophobicContact CG2-CG1 4.06Å; I79-A115 PolarHBondContact N-O 2.91Å; I79-I116 HydrophobicContact CB-CG1 4.42Å; I79-I116 CarbonylContact O-C 3.55Å; I79-I116 WeakPolarHBondContact O-CA 3.47Å; I79-H117 PolarHBondContact O-N 2.89Å
80	V	98	Very high	93.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	130.1	171.7	167.8	0	0	0	0	108.7	L33 I45 V46 G47 F48 Y82 H117 V119 C155	L33-V80 HydrophobicContact CD1-CG2 4.41Å; I45-V80 HydrophobicContact CG2-CB 4.2Å; I45-V80 HydrophobicContact CG2-CG2 3.57Å; V46-V80 PolarHBondContact O-N 3.41Å; G47-V80 CarbonylContact C-O 3.52Å; G47-V80 WeakPolarHBondContact CA-O 3.37Å; F48-V80 PolarHBondContact N-O 2.95Å; V80-Y82 HydrophobicContact CG1-CD1 4.17Å; V80-Y82 HydrophobicContact CG1-CD2 4.46Å; V80-Y82 HydrophobicContact CG1-CE1 3.78Å; V80-Y82 HydrophobicContact CG1-CE2 4.09Å; V80-Y82 HydrophobicContact CG1-CG 4.49Å; V80-H117 CarbonylContact C-O 3.51Å; V80-H117 VanDerWaalsContact CA-O 3.25Å; V80-H117 WeakPolarHBondContact CA-O 3.32Å; V80-H117 HydrophobicContact CG2-CB 4.08Å; V80-V119 HydrophobicContact CG1-CB 4.32Å; V80-V119 HydrophobicContact CG1-CG2 3.58Å; V80-C155 HydrophobicContact CG1-CB 4.48Å
81	I	97.8	Very high	93	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	113	173	-57.1	178.1	0	0	0	108	F48 H50 W64 V67 I79 T83 I116 H117 F118 V119	F48-I81 HydrophobicContact CB-CG1 4.49Å; H50-I81 HydrophobicContact CB-CG2 4.5Å; W64-I81 HydrophobicContact CH2-CD1 3.63Å; W64-I81 HydrophobicContact CZ2-CD1 4.25Å; W64-I81 HydrophobicContact CZ3-CD1 3.9Å; V67-I81 HydrophobicContact CG2-CD1 4.4Å; I79-I81 HydrophobicContact CG2-CG1 4.06Å; I81-T83 HydrophobicContact CG2-CG2 4.41Å; I81-T83 PolarHBondContact O-N 2.9Å; I81-I116 HydrophobicContact CD1-CG2 4.1Å; I81-H117 PolarHBondContact N-O 2.82Å; I81-F118 HydrophobicContact CB-CD1 3.94Å; I81-F118 HydrophobicContact CB-CE1 4.19Å; I81-F118 HydrophobicContact CD1-CD1 4.44Å; I81-F118 HydrophobicContact CD1-CE1 3.83Å; I81-F118 HydrophobicContact CG1-CE1 4.48Å; I81-F118 HydrophobicContact CG2-CD1 4.37Å; I81-V119 PolarHBondContact O-N 3.44Å
82	Y	98.1	Very high	92.4	Very high	1 Å²	1	42.5 Å²	42.5	0%	0.004	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	108.8	172.5	-52	-79.9	0	0	0	108.9	F48 F49 H50 V80 V119 A151 C155 P157 Y160	F48-Y82 VanDerWaalsContact O-CD2 3.31Å; F48-Y82 WeakPolarHBondContact O-CD2 3.46Å; F48-Y82 PolarHBondContact O-N 3.19Å; F49-Y82 HydrophobicContact CB-CD2 4.42Å; F49-Y82 HydrophobicContact CD2-CD2 4.24Å; F49-Y82 HydrophobicContact CD2-CG 4.36Å; H50-Y82 CarbonylContact C-O 3.51Å; H50-Y82 PolarHBondContact N-O 3.48Å; H50-Y82 VanDerWaalsContact N-O 3.16Å; V80-Y82 HydrophobicContact CG1-CD1 4.17Å; V80-Y82 HydrophobicContact CG1-CD2 4.46Å; V80-Y82 HydrophobicContact CG1-CE1 3.78Å; V80-Y82 HydrophobicContact CG1-CE2 4.09Å; V80-Y82 HydrophobicContact CG1-CG 4.49Å; Y82-V119 WeakPolarHBondContact CA-O 3.44Å; Y82-V119 HydrophobicContact CD1-CB 3.79Å; Y82-V119 HydrophobicContact CD1-CG1 3.83Å; Y82-V119 HydrophobicContact CD1-CG2 4.36Å; Y82-V119 HydrophobicContact CE1-CB 4.28Å; Y82-V119 HydrophobicContact CE1-CG1 4.25Å; Y82-V119 HydrophobicContact CE1-CG2 4.4Å; Y82-A151 HydrophobicContact CD1-CB 3.51Å; Y82-A151 HydrophobicContact CD2-CB 4.46Å; Y82-A151 HydrophobicContact CE1-CB 3.81Å; Y82-A151 WeakPolarHBondContact CE1-O 3.47Å; Y82-A151 HydrophobicContact CG-CB 3.88Å; Y82-C155 HydrophobicContact CE1-CB 4.08Å; Y82-C155 WeakPolarHBondContact CE1-O 3.27Å; Y82-C155 PolarHBondContact OH-O 2.89Å; Y82-P157 VanDerWaalsContact OH-CD 3.31Å; Y82-P157 WeakPolarHBondContact OH-CD 3.47Å; Y82-P157 WeakPolarHBondContact OH-CG 3.49Å; Y82-Y160 HydrophobicContact CD2-CE2 4.33Å; Y82-Y160 HydrophobicContact CE2-CD2 4.19Å; Y82-Y160 HydrophobicContact CE2-CE2 4.07Å
83	T	96	Very high	92	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	155.2	-169.6	-173.6	0	0	0	0	112.4	P51 C53 I81 D85 C88 L89 F118 V119 P120 L121	P51-T83 PolarHBondContact O-OG1 2.8Å; C53-T83 PolarHBondContact SG-OG1 3.47Å; I81-T83 HydrophobicContact CG2-CG2 4.41Å; I81-T83 PolarHBondContact O-N 2.9Å; T83-D85 WeakPolarHBondContact OG1-CB 3.33Å; T83-D85 PolarHBondContact OG1-N 2.75Å; T83-C88 HydrophobicContact CG2-CB 4.05Å; T83-L89 HydrophobicContact CG2-CD2 4.2Å; T83-L89 HydrophobicContact CG2-CG 4.41Å; T83-F118 HydrophobicContact CG2-CB 4.31Å; T83-F118 HydrophobicContact CG2-CD1 3.9Å; T83-V119 PolarHBondContact N-O 3.48Å; T83-P120 CarbonylContact O-C 3.52Å; T83-P120 VanDerWaalsContact O-CA 3.24Å; T83-P120 WeakPolarHBondContact O-CA 3.44Å; T83-L121 PolarHBondContact O-N 3.32Å
84	N	92.2	Very high	91.6	Very high	57 Å²	57	41.2 Å²	41.2	31%	0.305	23%	0.226	S	C	.	.			trans	-114.6	13.8	162.1	-170.2	42.4	0	0	0	112.2	P51 A86 L121 D124	P51-N84 PolarHBondContact O-N 3.44Å; N84-A86 PolarHBondContact O-N 3.22Å; N84-A86 VanDerWaalsContact O-N 3.09Å; N84-L121 HydrophobicContact CB-CB 4.42Å; N84-L121 WeakPolarHBondContact CB-O 3.29Å; N84-L121 PolarHBondContact OD1-O 3.16Å; N84-D124 HydrophobicContact CB-CB 3.68Å; N84-D124 VanDerWaalsContact CG-CG 3.47Å; N84-D124 PolarHBondContact ND2-OD1 2.77Å; N84-D124 PolarHBondContact ND2-OD2 3.28Å
85	D	89.8	Confident	91.2	Very high	28 Å²	28	40.4 Å²	40.4	15%	0.15	22%	0.223	C	C	.	.			trans	-64.8	116.7	177.6	-172.3	-86	0	0	0	110.4	C53 N54 T83 E87 C88 L89	C53-D85 WeakPolarHBondContact SG-CB 3.39Å; N54-D85 VanDerWaalsContact CB-OD2 3.24Å; N54-D85 WeakPolarHBondContact CB-OD2 3.34Å; T83-D85 WeakPolarHBondContact OG1-CB 3.33Å; T83-D85 PolarHBondContact OG1-N 2.75Å; D85-E87 PolarHBondContact O-N 3.18Å; D85-E87 WeakPolarHBondContact OD1-CA 3.34Å; D85-E87 WeakPolarHBondContact OD1-CB 3.22Å; D85-E87 PolarHBondContact OD1-N 3.44Å; D85-C88 HydrophobicContact CB-CB 3.86Å; D85-C88 PolarHBondContact O-N 2.94Å; D85-C88 PolarHBondContact OD1-N 2.79Å; D85-L89 WeakPolarHBondContact O-CG 3.24Å; D85-L89 PolarHBondContact O-N 2.87Å
86	A	88	Confident	91.1	Very high	72 Å²	72	33.9 Å²	33.9	60%	0.595	20%	0.195	S	C	*	.	H	α-helix	trans	-60.7	-33.3	-174.6	0	0	0	0	0	112.1	N84 S90	N84-A86 PolarHBondContact O-N 3.22Å; N84-A86 VanDerWaalsContact O-N 3.09Å; A86-S90 VanDerWaalsContact O-CB 3.23Å; A86-S90 WeakPolarHBondContact O-CB 3.46Å; A86-S90 PolarHBondContact O-N 2.92Å; A86-S90 PolarHBondContact O-OG 2.7Å
87	E	87.8	Confident	90.8	Very high	30 Å²	30	35.4 Å²	35.4	14%	0.14	21%	0.208	C	C	.	.	H	α-helix	trans	-75.6	-43.1	178.4	-163.5	173.5	-111	0	0	111.1	N54 D85 L89 S90 N91 K94 V95 N98	N54-E87 PolarHBondContact ND2-OE2 3.42Å; D85-E87 PolarHBondContact O-N 3.18Å; D85-E87 WeakPolarHBondContact OD1-CA 3.34Å; D85-E87 WeakPolarHBondContact OD1-CB 3.22Å; D85-E87 PolarHBondContact OD1-N 3.44Å; E87-L89 PolarHBondContact O-N 3.37Å; E87-S90 PolarHBondContact O-N 2.87Å; E87-N91 CarbonylContact O-C 3.53Å; E87-N91 WeakPolarHBondContact O-CA 3.45Å; E87-N91 PolarHBondContact O-N 3.39Å; E87-K94 HydrophobicContact CG-CB 4.2Å; E87-K94 HydrophobicContact CG-CD 4.27Å; E87-K94 HydrophobicContact CG-CG 4.3Å; E87-K94 WeakPolarHBondContact OE1-CD 3.43Å; E87-K94 WeakPolarHBondContact OE1-CE 3.44Å; E87-K94 WeakPolarHBondContact OE1-CG 3.49Å; E87-K94 IonicContact OE1-NZ 3.06Å; E87-K94 PolarHBondContact OE1-NZ 2.87Å; E87-V95 HydrophobicContact CB-CG2 4.12Å; E87-V95 HydrophobicContact CG-CG2 3.9Å; E87-N98 PolarHBondContact OE1-ND2 2.94Å; E87-N98 PolarHBondContact OE2-ND2 2.96Å
88	C	88.1	Confident	90.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-56.5	-34.4	172.6	-64.4	0	0	0	0	111.7	C53 T83 D85 V95 F118	C53-C88 WeakPolarHBondContact CB-SG 3.4Å; C53-C88 WeakPolarHBondContact SG-CB 3.31Å; C53-C88 CovalentContact SG-SG 2.08Å; C53-C88 PolarHBondContact SG-SG 3.31Å; T83-C88 HydrophobicContact CG2-CB 4.05Å; D85-C88 HydrophobicContact CB-CB 3.86Å; D85-C88 PolarHBondContact O-N 2.94Å; D85-C88 PolarHBondContact OD1-N 2.79Å; C88-V95 VanDerWaalsContact CA-CG2 3.48Å; C88-V95 HydrophobicContact CB-CG2 4.12Å; C88-F118 HydrophobicContact CB-CD1 3.81Å; C88-F118 HydrophobicContact CB-CE1 3.77Å; C88-F118 HydrophobicContact CB-CG 4.38Å; C88-F118 HydrophobicContact CB-CZ 4.34Å; C88-F118 WeakPolarHBondContact O-CD2 3.28Å
89	L	89.2	Confident	89.9	Confident	62 Å²	62	36.3 Å²	36.3	33%	0.325	21%	0.213	S	C	.	.	H	α-helix	trans	-85.9	-35.7	-179.1	-65.2	174.1	0	0	0	114.2	T83 D85 E87 F118 P120	T83-L89 HydrophobicContact CG2-CD2 4.2Å; T83-L89 HydrophobicContact CG2-CG 4.41Å; D85-L89 WeakPolarHBondContact O-CG 3.24Å; D85-L89 PolarHBondContact O-N 2.87Å; E87-L89 PolarHBondContact O-N 3.37Å; L89-F118 HydrophobicContact CD2-CB 4.03Å; L89-P120 HydrophobicContact CD1-CB 3.81Å; L89-P120 HydrophobicContact CD2-CB 3.82Å; L89-P120 HydrophobicContact CD2-CG 4.47Å; L89-P120 HydrophobicContact CG-CB 4.49Å
90	S	90.1	Very high	89.5	Confident	97 Å²	97	41.6 Å²	41.6	68%	0.678	23%	0.233	S	C	*	.	H	α-helix	trans	-95.5	-31.6	-174.6	62.6	0	0	0	0	114.1	A86 E87	A86-S90 VanDerWaalsContact O-CB 3.23Å; A86-S90 WeakPolarHBondContact O-CB 3.46Å; A86-S90 PolarHBondContact O-N 2.92Å; A86-S90 PolarHBondContact O-OG 2.7Å; E87-S90 PolarHBondContact O-N 2.87Å
91	N	86.8	Confident	89	Confident	70 Å²	70	47.2 Å²	47.2	37%	0.374	25%	0.254	S	S	.	.			trans	-147.7	75.9	-177.3	-167.5	-17.7	0	0	0	111.7	E87 D93 K94 V95	E87-N91 CarbonylContact O-C 3.53Å; E87-N91 WeakPolarHBondContact O-CA 3.45Å; E87-N91 PolarHBondContact O-N 3.39Å; N91-D93 VanDerWaalsContact C-N 3.26Å; N91-D93 PolarHBondContact O-N 3.46Å; N91-K94 HydrophobicContact CB-CB 4.05Å; N91-K94 WeakPolarHBondContact O-CB 3.35Å; N91-K94 PolarHBondContact O-N 3.28Å; N91-K94 PolarHBondContact OD1-N 3.36Å; N91-V95 PolarHBondContact O-N 3.16Å
92	P	82.7	Confident	88.3	Confident	50 Å²	50	49.4 Å²	49.4	33%	0.325	27%	0.265	S	S	.	.	H	α-helix	trans	-51.7	-38.6	178.4	-30	36.6	0	0	0	114.8	K94 V95 F96 F118	P92-K94 VanDerWaalsContact C-N 3.27Å; P92-K94 PolarHBondContact O-N 2.8Å; P92-V95 WeakPolarHBondContact O-CB 3.35Å; P92-V95 PolarHBondContact O-N 3.23Å; P92-V95 VanDerWaalsContact O-N 3.12Å; P92-F96 VanDerWaalsContact O-CD2 3.23Å; P92-F96 WeakPolarHBondContact O-CD2 3.25Å; P92-F96 WeakPolarHBondContact O-CE2 3.35Å; P92-F96 PolarHBondContact O-N 3.48Å; P92-F118 HydrophobicContact CB-CD2 4.46Å; P92-F118 HydrophobicContact CB-CE2 3.94Å; P92-F118 HydrophobicContact CG-CD2 4.28Å; P92-F118 HydrophobicContact CG-CE2 4.26Å
93	D	83.4	Confident	87.7	Confident	95 Å²	95	50.1 Å²	50.1	51%	0.508	27%	0.268	S	S	.	.	H	α-helix	trans	-63.7	-35.6	179.9	-69.3	-43.9	0	0	0	111.8	N91 V95 F96 S97 Y113	N91-D93 VanDerWaalsContact C-N 3.26Å; N91-D93 PolarHBondContact O-N 3.46Å; D93-V95 VanDerWaalsContact C-N 3.3Å; D93-V95 PolarHBondContact O-N 3.25Å; D93-F96 PolarHBondContact O-N 2.91Å; D93-S97 PolarHBondContact O-N 3.15Å; D93-Y113 PolarHBondContact OD1-OH 3.4Å
94	K	85.4	Confident	87.2	Confident	98 Å²	98	51.5 Å²	51.5	43%	0.426	28%	0.282	S	S	.	.	H	α-helix	trans	-66.3	-33.8	176.1	-167.1	171.7	176.3	-135.3	0	111.9	E87 N91 P92 F96 S97 N98	E87-K94 HydrophobicContact CG-CB 4.2Å; E87-K94 HydrophobicContact CG-CD 4.27Å; E87-K94 HydrophobicContact CG-CG 4.3Å; E87-K94 WeakPolarHBondContact OE1-CD 3.43Å; E87-K94 WeakPolarHBondContact OE1-CE 3.44Å; E87-K94 WeakPolarHBondContact OE1-CG 3.49Å; E87-K94 IonicContact OE1-NZ 3.06Å; E87-K94 PolarHBondContact OE1-NZ 2.87Å; N91-K94 HydrophobicContact CB-CB 4.05Å; N91-K94 WeakPolarHBondContact O-CB 3.35Å; N91-K94 PolarHBondContact O-N 3.28Å; N91-K94 PolarHBondContact OD1-N 3.36Å; P92-K94 VanDerWaalsContact C-N 3.27Å; P92-K94 PolarHBondContact O-N 2.8Å; K94-F96 VanDerWaalsContact C-N 3.35Å; K94-F96 PolarHBondContact O-N 3.24Å; K94-S97 PolarHBondContact O-N 3.49Å; K94-S97 PolarHBondContact O-OG 3.3Å; K94-N98 PolarHBondContact O-N 3.07Å
95	V	86.7	Confident	87	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.8	-44.3	175.4	172	0	0	0	0	111.4	W64 E87 C88 N91 P92 D93 S97 N98 I99	W64-V95 HydrophobicContact CH2-CG1 4.04Å; W64-V95 HydrophobicContact CZ2-CG1 3.67Å; E87-V95 HydrophobicContact CB-CG2 4.12Å; E87-V95 HydrophobicContact CG-CG2 3.9Å; C88-V95 VanDerWaalsContact CA-CG2 3.48Å; C88-V95 HydrophobicContact CB-CG2 4.12Å; N91-V95 PolarHBondContact O-N 3.16Å; P92-V95 WeakPolarHBondContact O-CB 3.35Å; P92-V95 PolarHBondContact O-N 3.23Å; P92-V95 VanDerWaalsContact O-N 3.12Å; D93-V95 VanDerWaalsContact C-N 3.3Å; D93-V95 PolarHBondContact O-N 3.25Å; V95-S97 VanDerWaalsContact C-N 3.33Å; V95-S97 PolarHBondContact O-N 3.1Å; V95-N98 PolarHBondContact O-N 3.11Å; V95-N98 VanDerWaalsContact O-N 3.14Å; V95-I99 HydrophobicContact CG1-CD1 3.57Å; V95-I99 HydrophobicContact CG1-CG1 4.26Å; V95-I99 WeakPolarHBondContact O-CD1 3.32Å; V95-I99 VanDerWaalsContact O-CG1 3.24Å; V95-I99 WeakPolarHBondContact O-CG1 3.34Å; V95-I99 PolarHBondContact O-N 3.46Å
96	F	87.7	Confident	86.8	Confident	16 Å²	16	49.2 Å²	49.2	7%	0.07	27%	0.272	C	S	.	.	H	α-helix	trans	-65.8	-34.2	177.6	-56.6	-57.1	0	0	0	113.1	W64 P92 D93 K94 I99 R100 F107 Y113 I116	W64-F96 HydrophobicContact CH2-CE1 4.29Å; W64-F96 AromaticContact CZ3-CE1 3.9Å; W64-F96 HydrophobicContact CZ3-CE1 3.9Å; P92-F96 VanDerWaalsContact O-CD2 3.23Å; P92-F96 WeakPolarHBondContact O-CD2 3.25Å; P92-F96 WeakPolarHBondContact O-CE2 3.35Å; P92-F96 PolarHBondContact O-N 3.48Å; D93-F96 PolarHBondContact O-N 2.91Å; K94-F96 VanDerWaalsContact C-N 3.35Å; K94-F96 PolarHBondContact O-N 3.24Å; F96-I99 HydrophobicContact CD1-CD1 4.07Å; F96-R100 WeakPolarHBondContact O-CB 3.49Å; F96-R100 PolarHBondContact O-N 3.48Å; F96-R100 VanDerWaalsContact O-N 3.07Å; F96-F107 HydrophobicContact CB-CD2 4.37Å; F96-F107 AromaticContact CD1-CD2 3.48Å; F96-F107 HydrophobicContact CD1-CD2 3.48Å; F96-F107 VanDerWaalsContact CD1-CD2 3.48Å; F96-F107 AromaticContact CD1-CE2 3.62Å; F96-F107 HydrophobicContact CD1-CE2 3.62Å; F96-F107 HydrophobicContact CD1-CG 4.04Å; F96-F107 HydrophobicContact CD1-CZ 4.28Å; F96-F107 HydrophobicContact CE1-CD2 4.16Å; F96-F107 HydrophobicContact CE1-CE2 4.03Å; F96-F107 HydrophobicContact CE1-CG 4.49Å; F96-F107 HydrophobicContact CE1-CZ 4.23Å; F96-F107 HydrophobicContact CG-CD2 4.22Å; F96-Y113 HydrophobicContact CD2-CD1 4.17Å; F96-Y113 AromaticContact CD2-CD2 3.84Å; F96-Y113 HydrophobicContact CD2-CD2 3.84Å; F96-Y113 HydrophobicContact CD2-CE1 4.17Å; F96-Y113 AromaticContact CD2-CE2 3.85Å; F96-Y113 HydrophobicContact CD2-CE2 3.85Å; F96-Y113 AromaticContact CD2-CG 3.97Å; F96-Y113 HydrophobicContact CD2-CG 3.97Å; F96-Y113 HydrophobicContact CE1-CG 4.33Å; F96-Y113 HydrophobicContact CE2-CD1 4.2Å; F96-Y113 AromaticContact CE2-CD2 3.2Å; F96-Y113 HydrophobicContact CE2-CD2 3.2Å; F96-Y113 HydrophobicContact CE2-CE1 4.48Å; F96-Y113 AromaticContact CE2-CE2 3.56Å; F96-Y113 HydrophobicContact CE2-CE2 3.56Å; F96-Y113 AromaticContact CE2-CG 3.53Å; F96-Y113 HydrophobicContact CE2-CG 3.53Å; F96-Y113 AromaticContact CZ-CD2 3.73Å; F96-Y113 HydrophobicContact CZ-CD2 3.73Å; F96-Y113 AromaticContact CZ-CG 3.74Å; F96-Y113 HydrophobicContact CZ-CG 3.74Å; F96-I116 HydrophobicContact CE1-CD1 3.93Å; F96-I116 HydrophobicContact CZ-CD1 3.96Å
97	S	87.1	Confident	86.6	Confident	64 Å²	64	46.4 Å²	46.4	45%	0.448	25%	0.246	S	C	.	.	H	α-helix	trans	-67.8	-37.1	172.6	70.5	0	0	0	0	112.4	D93 K94 V95 R100 R101	D93-S97 PolarHBondContact O-N 3.15Å; K94-S97 PolarHBondContact O-N 3.49Å; K94-S97 PolarHBondContact O-OG 3.3Å; V95-S97 VanDerWaalsContact C-N 3.33Å; V95-S97 PolarHBondContact O-N 3.1Å; S97-R100 PolarHBondContact O-N 3.41Å; S97-R101 WeakPolarHBondContact O-CB 3.41Å; S97-R101 PolarHBondContact O-N 2.9Å
98	N	87.2	Confident	86	Confident	22 Å²	22	50.3 Å²	50.3	12%	0.118	27%	0.269	C	S	.	.	H	α-helix	trans	-69.5	-41.8	175.3	-88.3	-31.6	0	0	0	113	E87 K94 V95 R100 R101 I102	E87-N98 PolarHBondContact OE1-ND2 2.94Å; E87-N98 PolarHBondContact OE2-ND2 2.96Å; K94-N98 PolarHBondContact O-N 3.07Å; V95-N98 PolarHBondContact O-N 3.11Å; V95-N98 VanDerWaalsContact O-N 3.14Å; N98-R100 VanDerWaalsContact C-N 3.3Å; N98-R100 PolarHBondContact O-N 2.93Å; N98-R101 PolarHBondContact O-N 2.84Å; N98-R101 VanDerWaalsContact O-N 3.13Å; N98-R101 PolarHBondContact OD1-NE 3.24Å; N98-R101 VanDerWaalsContact OD1-NE 3.14Å; N98-R101 PolarHBondContact OD1-NH2 2.66Å; N98-I102 WeakPolarHBondContact O-CB 3.27Å; N98-I102 VanDerWaalsContact O-CG1 3.29Å; N98-I102 WeakPolarHBondContact O-CG1 3.38Å; N98-I102 PolarHBondContact O-N 2.96Å
99	I	88.9	Confident	85.4	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-58	-45	173.5	-70.2	158.8	0	0	0	110.6	W64 V95 F96 R101 F103 G104 I105 F107	W64-I99 HydrophobicContact CB-CG2 4.18Å; W64-I99 HydrophobicContact CD2-CD1 3.26Å; W64-I99 HydrophobicContact CD2-CG1 4.06Å; W64-I99 HydrophobicContact CE3-CD1 3.65Å; W64-I99 HydrophobicContact CG-CD1 3.65Å; W64-I99 HydrophobicContact CG-CG1 3.93Å; W64-I99 HydrophobicContact CG-CG2 4.29Å; W64-I99 HydrophobicContact CH2-CD1 3.97Å; W64-I99 HydrophobicContact CZ2-CD1 3.63Å; W64-I99 HydrophobicContact CZ3-CD1 3.99Å; V95-I99 HydrophobicContact CG1-CD1 3.57Å; V95-I99 HydrophobicContact CG1-CG1 4.26Å; V95-I99 WeakPolarHBondContact O-CD1 3.32Å; V95-I99 VanDerWaalsContact O-CG1 3.24Å; V95-I99 WeakPolarHBondContact O-CG1 3.34Å; V95-I99 PolarHBondContact O-N 3.46Å; F96-I99 HydrophobicContact CD1-CD1 4.07Å; I99-R101 PolarHBondContact O-N 2.85Å; I99-F103 HydrophobicContact CG2-CD2 4.4Å; I99-F103 WeakPolarHBondContact O-CA 3.36Å; I99-F103 WeakPolarHBondContact O-CB 3.45Å; I99-F103 PolarHBondContact O-N 2.96Å; I99-G104 PolarHBondContact O-N 2.94Å; I99-I105 HydrophobicContact CG2-CB 3.63Å; I99-I105 HydrophobicContact CG2-CD1 4.38Å; I99-I105 HydrophobicContact CG2-CG2 4.02Å; I99-F107 HydrophobicContact CD1-CE2 4.39Å; I99-F107 HydrophobicContact CG2-CE2 4.39Å
100	R	88.4	Confident	84.5	Confident	111 Å²	111	58.2 Å²	58.2	42%	0.419	31%	0.31	S	S	.	.	H	α-helix	trans	-61.6	-43.7	174.5	-175.9	-175.5	-59.7	-111.8	2.4	111.9	F96 S97 N98 G104 I105 C106 F107	F96-R100 WeakPolarHBondContact O-CB 3.49Å; F96-R100 PolarHBondContact O-N 3.48Å; F96-R100 VanDerWaalsContact O-N 3.07Å; S97-R100 PolarHBondContact O-N 3.41Å; N98-R100 VanDerWaalsContact C-N 3.3Å; N98-R100 PolarHBondContact O-N 2.93Å; R100-G104 WeakPolarHBondContact O-CA 3.39Å; R100-G104 PolarHBondContact O-N 3.16Å; R100-I105 WeakPolarHBondContact CA-O 3.41Å; R100-C106 PolarHBondContact NH1-SG 3.48Å; R100-F107 PolarHBondContact NH2-O 3.24Å
101	R	86.6	Confident	83.7	Confident	118 Å²	118	57.2 Å²	57.2	45%	0.445	30%	0.303	S	S	.	.	H	α-helix	trans	-67	-38	-178.6	-176.4	-178.2	62.2	78	2	113.1	S97 N98 I99 Y375	S97-R101 WeakPolarHBondContact O-CB 3.41Å; S97-R101 PolarHBondContact O-N 2.9Å; N98-R101 PolarHBondContact O-N 2.84Å; N98-R101 VanDerWaalsContact O-N 3.13Å; N98-R101 PolarHBondContact OD1-NE 3.24Å; N98-R101 VanDerWaalsContact OD1-NE 3.14Å; N98-R101 PolarHBondContact OD1-NH2 2.66Å; I99-R101 PolarHBondContact O-N 2.85Å; R101-Y375 WeakPolarHBondContact O-CB 3.44Å; R101-Y375 PolarHBondContact O-N 2.96Å
102	I	84.1	Confident	82.9	Confident	45 Å²	45	56.1 Å²	56.1	23%	0.231	30%	0.297	C	S	.	.	H	α-helix	trans	-89.6	-43.3	-174.3	-61.7	169.7	0	0	0	111.3	N98	N98-I102 WeakPolarHBondContact O-CB 3.27Å; N98-I102 VanDerWaalsContact O-CG1 3.29Å; N98-I102 WeakPolarHBondContact O-CG1 3.38Å; N98-I102 PolarHBondContact O-N 2.96Å
103	F	85.8	Confident	82.5	Confident	17 Å²	17	56.2 Å²	56.2	8%	0.075	29%	0.291	C	S	.	.	H	α-helix	trans	-114.3	-10.2	-170.7	-55.8	-57.5	0	0	0	114.2	G57 E60 R61 I99 I105	G57-F103 WeakPolarHBondContact O-CE1 3.46Å; G57-F103 WeakPolarHBondContact O-CZ 3.35Å; E60-F103 HydrophobicContact CB-CE2 4Å; E60-F103 HydrophobicContact CB-CZ 3.96Å; R61-F103 HydrophobicContact CB-CD1 3.88Å; R61-F103 HydrophobicContact CB-CE1 3.84Å; R61-F103 HydrophobicContact CB-CG 4.3Å; R61-F103 HydrophobicContact CB-CZ 4.22Å; R61-F103 HydrophobicContact CG-CD1 4.04Å; R61-F103 HydrophobicContact CG-CE1 4.5Å; R61-F103 HydrophobicContact CG-CG 4.28Å; I99-F103 HydrophobicContact CG2-CD2 4.4Å; I99-F103 WeakPolarHBondContact O-CA 3.36Å; I99-F103 WeakPolarHBondContact O-CB 3.45Å; I99-F103 PolarHBondContact O-N 2.96Å; F103-I105 HydrophobicContact CB-CD1 3.83Å; F103-I105 HydrophobicContact CB-CG1 3.91Å; F103-I105 HydrophobicContact CG-CD1 4.44Å; F103-I105 PolarHBondContact O-N 2.94Å
104	G	84.8	Confident	82.3	Confident	28 Å²	28	54.6 Å²	54.6	29%	0.289	29%	0.287	S	S	.	.			trans	73.9	1.1	-172.8	0	0	0	0	0	114.4	I99 R100 C106	I99-G104 PolarHBondContact O-N 2.94Å; R100-G104 WeakPolarHBondContact O-CA 3.39Å; R100-G104 PolarHBondContact O-N 3.16Å; G104-C106 PolarHBondContact O-N 3.33Å; G104-C106 PolarHBondContact O-SG 3.23Å
105	I	87.6	Confident	82.6	Confident	5 Å²	5	50.4 Å²	50.4	3%	0.026	27%	0.271	C	S	.	.			trans	-71.4	113.7	179.9	-60.3	166.5	0	0	0	109	R61 W64 T65 K68 I99 R100 F103 F107	R61-I105 HydrophobicContact CG-CD1 4.29Å; W64-I105 HydrophobicContact CB-CD1 3.98Å; T65-I105 WeakPolarHBondContact OG1-CD1 3.31Å; K68-I105 HydrophobicContact CD-CG2 3.85Å; I99-I105 HydrophobicContact CG2-CB 3.63Å; I99-I105 HydrophobicContact CG2-CD1 4.38Å; I99-I105 HydrophobicContact CG2-CG2 4.02Å; R100-I105 WeakPolarHBondContact CA-O 3.41Å; F103-I105 HydrophobicContact CB-CD1 3.83Å; F103-I105 HydrophobicContact CB-CG1 3.91Å; F103-I105 HydrophobicContact CG-CD1 4.44Å; F103-I105 PolarHBondContact O-N 2.94Å; I105-F107 HydrophobicContact CG2-CE2 4.25Å
106	C	86.1	Confident	82.9	Confident	33 Å²	33	50.9 Å²	50.9	22%	0.223	27%	0.274	C	S	.	.			trans	-100.9	121.6	-178.2	-61.4	0	0	0	0	110.9	K68 R100 G104 N108	K68-C106 WeakPolarHBondContact CE-O 3.2Å; K68-C106 PolarHBondContact NZ-O 3.3Å; R100-C106 PolarHBondContact NH1-SG 3.48Å; G104-C106 PolarHBondContact O-N 3.33Å; G104-C106 PolarHBondContact O-SG 3.23Å; C106-N108 WeakPolarHBondContact CB-OD1 3.38Å
107	F	83.4	Confident	83.3	Confident	12 Å²	12	52 Å²	52	5%	0.053	28%	0.279	C	S	.	.			trans	-89.4	112.6	155.6	-62.6	-92.9	0	0	0	106.8	W64 K68 F96 I99 R100 I105 D112 Y113 I116	W64-F107 HydrophobicContact CE3-CE2 4.25Å; W64-F107 AromaticContact CE3-CZ 3.98Å; W64-F107 HydrophobicContact CE3-CZ 3.98Å; W64-F107 HydrophobicContact CZ3-CZ 4.42Å; K68-F107 HydrophobicContact CB-CE1 4.07Å; K68-F107 HydrophobicContact CB-CZ 4.12Å; K68-F107 HydrophobicContact CG-CE1 4.45Å; F96-F107 HydrophobicContact CB-CD2 4.37Å; F96-F107 AromaticContact CD1-CD2 3.48Å; F96-F107 HydrophobicContact CD1-CD2 3.48Å; F96-F107 VanDerWaalsContact CD1-CD2 3.48Å; F96-F107 AromaticContact CD1-CE2 3.62Å; F96-F107 HydrophobicContact CD1-CE2 3.62Å; F96-F107 HydrophobicContact CD1-CG 4.04Å; F96-F107 HydrophobicContact CD1-CZ 4.28Å; F96-F107 HydrophobicContact CE1-CD2 4.16Å; F96-F107 HydrophobicContact CE1-CE2 4.03Å; F96-F107 HydrophobicContact CE1-CG 4.49Å; F96-F107 HydrophobicContact CE1-CZ 4.23Å; F96-F107 HydrophobicContact CG-CD2 4.22Å; I99-F107 HydrophobicContact CD1-CE2 4.39Å; I99-F107 HydrophobicContact CG2-CE2 4.39Å; R100-F107 PolarHBondContact NH2-O 3.24Å; I105-F107 HydrophobicContact CG2-CE2 4.25Å; F107-D112 HydrophobicContact CB-CB 4.42Å; F107-D112 HydrophobicContact CD1-CB 4.33Å; F107-Y113 HydrophobicContact CB-CD1 3.84Å; F107-Y113 HydrophobicContact CB-CE1 4.47Å; F107-Y113 HydrophobicContact CG-CD1 4.4Å; F107-I116 HydrophobicContact CE1-CD1 4.37Å
108	N	75.6	Confident	83.7	Confident	113 Å²	113	50.3 Å²	50.3	60%	0.604	26%	0.263	S	S	*	.			trans	-84.9	-29.5	-163.7	-67.9	-34.4	0	0	0	112.6	C106 D112	C106-N108 WeakPolarHBondContact CB-OD1 3.38Å; N108-D112 WeakPolarHBondContact CA-OD2 3.31Å; N108-D112 WeakPolarHBondContact CB-OD2 3.37Å; N108-D112 PolarHBondContact N-OD2 3.43Å
109	K	76.4	Confident	84.1	Confident	134 Å²	134	49.5 Å²	49.5	58%	0.583	26%	0.259	S	S	*	.	S	Bend	trans	-133.4	153.2	179.1	-61.3	177	-174.8	176.4	0	110.2	S111 D112 Y113	K109-S111 VanDerWaalsContact CB-OG 3.28Å; K109-S111 WeakPolarHBondContact CB-OG 3.41Å; K109-S111 PolarHBondContact O-N 3.04Å; K109-S111 VanDerWaalsContact O-N 3.12Å; K109-D112 PolarHBondContact N-OD2 2.81Å; K109-D112 VanDerWaalsContact O-CB 3.24Å; K109-D112 WeakPolarHBondContact O-CB 3.48Å; K109-D112 PolarHBondContact O-N 3.02Å; K109-Y113 WeakPolarHBondContact O-CD1 3.37Å
110	P	70.7	Confident	84.5	Confident	94 Å²	94	51.7 Å²	51.7	61%	0.61	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-52.7	-30.8	170	-28.4	36.5	0	0	0	114	D112 Y113 S114	P110-D112 PolarHBondContact O-N 2.87Å; P110-Y113 VanDerWaalsContact CA-CE1 3.46Å; P110-Y113 HydrophobicContact CB-CE1 4.42Å; P110-Y113 PolarHBondContact O-N 2.92Å; P110-S114 PolarHBondContact O-N 2.79Å; P110-S114 VanDerWaalsContact O-N 3.1Å
111	S	71.9	Confident	84.9	Confident	75 Å²	75	46.4 Å²	46.4	52%	0.524	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-62.3	-23.2	173.2	55.6	0	0	0	0	114.2	K109 Y113 S114	K109-S111 VanDerWaalsContact CB-OG 3.28Å; K109-S111 WeakPolarHBondContact CB-OG 3.41Å; K109-S111 PolarHBondContact O-N 3.04Å; K109-S111 VanDerWaalsContact O-N 3.12Å; S111-Y113 VanDerWaalsContact C-N 3.3Å; S111-S114 PolarHBondContact O-OG 3.31Å
112	D	71.5	Confident	85.3	Confident	47 Å²	47	48.2 Å²	48.2	25%	0.251	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-77.8	-20.7	-175.8	-57.1	-12.9	0	0	0	111.9	L71 F107 N108 K109 P110	L71-D112 WeakPolarHBondContact CD1-O 3.49Å; F107-D112 HydrophobicContact CB-CB 4.42Å; F107-D112 HydrophobicContact CD1-CB 4.33Å; N108-D112 WeakPolarHBondContact CA-OD2 3.31Å; N108-D112 WeakPolarHBondContact CB-OD2 3.37Å; N108-D112 PolarHBondContact N-OD2 3.43Å; K109-D112 PolarHBondContact N-OD2 2.81Å; K109-D112 VanDerWaalsContact O-CB 3.24Å; K109-D112 WeakPolarHBondContact O-CB 3.48Å; K109-D112 PolarHBondContact O-N 3.02Å; P110-D112 PolarHBondContact O-N 2.87Å
113	Y	74.2	Confident	85.8	Confident	52 Å²	52	47.4 Å²	47.4	20%	0.204	26%	0.263	C	S	.	.	S	Bend	trans	-123	10.7	177.8	60.3	-94.5	0	0	0	112.9	D93 F96 F107 K109 P110 S111 A115 I116	D93-Y113 PolarHBondContact OD1-OH 3.4Å; F96-Y113 HydrophobicContact CD2-CD1 4.17Å; F96-Y113 AromaticContact CD2-CD2 3.84Å; F96-Y113 HydrophobicContact CD2-CD2 3.84Å; F96-Y113 HydrophobicContact CD2-CE1 4.17Å; F96-Y113 AromaticContact CD2-CE2 3.85Å; F96-Y113 HydrophobicContact CD2-CE2 3.85Å; F96-Y113 AromaticContact CD2-CG 3.97Å; F96-Y113 HydrophobicContact CD2-CG 3.97Å; F96-Y113 HydrophobicContact CE1-CG 4.33Å; F96-Y113 HydrophobicContact CE2-CD1 4.2Å; F96-Y113 AromaticContact CE2-CD2 3.2Å; F96-Y113 HydrophobicContact CE2-CD2 3.2Å; F96-Y113 HydrophobicContact CE2-CE1 4.48Å; F96-Y113 AromaticContact CE2-CE2 3.56Å; F96-Y113 HydrophobicContact CE2-CE2 3.56Å; F96-Y113 AromaticContact CE2-CG 3.53Å; F96-Y113 HydrophobicContact CE2-CG 3.53Å; F96-Y113 AromaticContact CZ-CD2 3.73Å; F96-Y113 HydrophobicContact CZ-CD2 3.73Å; F96-Y113 AromaticContact CZ-CG 3.74Å; F96-Y113 HydrophobicContact CZ-CG 3.74Å; F107-Y113 HydrophobicContact CB-CD1 3.84Å; F107-Y113 HydrophobicContact CB-CE1 4.47Å; F107-Y113 HydrophobicContact CG-CD1 4.4Å; K109-Y113 WeakPolarHBondContact O-CD1 3.37Å; P110-Y113 VanDerWaalsContact CA-CE1 3.46Å; P110-Y113 HydrophobicContact CB-CE1 4.42Å; P110-Y113 PolarHBondContact O-N 2.92Å; S111-Y113 VanDerWaalsContact C-N 3.3Å; Y113-A115 PolarHBondContact O-N 2.78Å; Y113-I116 PolarHBondContact O-N 3.36Å
114	S	78	Confident	86.1	Confident	61 Å²	61	47.8 Å²	47.8	43%	0.427	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-33.9	-176.3	61	0	0	0	0	111.6	Y37 P110 S111 I116	Y37-S114 WeakPolarHBondContact CD1-O 3.39Å; Y37-S114 WeakPolarHBondContact CE1-O 3.38Å; P110-S114 PolarHBondContact O-N 2.79Å; P110-S114 VanDerWaalsContact O-N 3.1Å; S111-S114 PolarHBondContact O-OG 3.31Å; S114-I116 PolarHBondContact O-N 3.36Å
115	A	91.3	Very high	86.5	Confident	11 Å²	11	51.4 Å²	51.4	9%	0.091	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	27.7	-178.7	0	0	0	0	0	114.7	V39 L71 I79 Y113	V39-A115 HydrophobicContact CG1-CB 4.49Å; L71-A115 HydrophobicContact CD2-CB 4Å; I79-A115 PolarHBondContact N-O 2.91Å; Y113-A115 PolarHBondContact O-N 2.78Å
116	I	94.6	Very high	86.8	Confident	10 Å²	10	53.1 Å²	53.1	5%	0.051	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	125.5	174.3	-56.7	-179	0	0	0	110.4	Y37 W64 V67 L71 I79 I81 F96 F107 Y113 S114 F118	Y37-I116 PolarHBondContact OH-O 3.04Å; W64-I116 HydrophobicContact CZ3-CD1 4.23Å; V67-I116 HydrophobicContact CG1-CD1 3.69Å; V67-I116 HydrophobicContact CG1-CG1 4.32Å; L71-I116 HydrophobicContact CD1-CD1 3.68Å; L71-I116 HydrophobicContact CD1-CG1 3.6Å; I79-I116 HydrophobicContact CB-CG1 4.42Å; I79-I116 CarbonylContact O-C 3.55Å; I79-I116 WeakPolarHBondContact O-CA 3.47Å; I81-I116 HydrophobicContact CD1-CG2 4.1Å; F96-I116 HydrophobicContact CE1-CD1 3.93Å; F96-I116 HydrophobicContact CZ-CD1 3.96Å; F107-I116 HydrophobicContact CE1-CD1 4.37Å; Y113-I116 PolarHBondContact O-N 3.36Å; S114-I116 PolarHBondContact O-N 3.36Å; I116-F118 HydrophobicContact CG2-CE1 4.27Å; I116-F118 HydrophobicContact CG2-CE2 3.93Å; I116-F118 HydrophobicContact CG2-CZ 3.81Å
117	H	95.1	Very high	87.1	Confident	39 Å²	39	51.6 Å²	51.6	18%	0.181	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	116.1	179.4	-166.5	77.8	0	0	0	111.6	L33 Y37 V78 I79 V80 I81	L33-H117 HydrophobicContact CD2-CB 4.13Å; Y37-H117 HydrophobicContact CE2-CB 3.77Å; Y37-H117 AromaticContact CE2-CG 3.97Å; Y37-H117 AromaticContact CE2-ND1 3.53Å; Y37-H117 AromaticContact CZ-ND1 3.62Å; Y37-H117 VanDerWaalsContact OH-CA 3.27Å; Y37-H117 WeakPolarHBondContact OH-CA 3.47Å; Y37-H117 VanDerWaalsContact OH-CB 3.32Å; Y37-H117 WeakPolarHBondContact OH-CB 3.32Å; Y37-H117 PolarHBondContact OH-ND1 3.32Å; V78-H117 HydrophobicContact CG1-CB 4.23Å; I79-H117 PolarHBondContact O-N 2.89Å; V80-H117 CarbonylContact C-O 3.51Å; V80-H117 VanDerWaalsContact CA-O 3.25Å; V80-H117 WeakPolarHBondContact CA-O 3.32Å; V80-H117 HydrophobicContact CG2-CB 4.08Å; I81-H117 PolarHBondContact N-O 2.82Å
118	F	95.5	Very high	87.4	Confident	28 Å²	28	52.9 Å²	52.9	12%	0.123	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	127.1	174.9	-60.4	-78.7	0	0	0	110.7	W64 I81 T83 C88 L89 P92 I116	W64-F118 AromaticContact CH2-CE1 3.96Å; W64-F118 HydrophobicContact CH2-CE1 3.96Å; W64-F118 AromaticContact CH2-CZ 3.91Å; W64-F118 HydrophobicContact CH2-CZ 3.91Å; I81-F118 HydrophobicContact CB-CD1 3.94Å; I81-F118 HydrophobicContact CB-CE1 4.19Å; I81-F118 HydrophobicContact CD1-CD1 4.44Å; I81-F118 HydrophobicContact CD1-CE1 3.83Å; I81-F118 HydrophobicContact CG1-CE1 4.48Å; I81-F118 HydrophobicContact CG2-CD1 4.37Å; T83-F118 HydrophobicContact CG2-CB 4.31Å; T83-F118 HydrophobicContact CG2-CD1 3.9Å; C88-F118 HydrophobicContact CB-CD1 3.81Å; C88-F118 HydrophobicContact CB-CE1 3.77Å; C88-F118 HydrophobicContact CB-CG 4.38Å; C88-F118 HydrophobicContact CB-CZ 4.34Å; C88-F118 WeakPolarHBondContact O-CD2 3.28Å; L89-F118 HydrophobicContact CD2-CB 4.03Å; P92-F118 HydrophobicContact CB-CD2 4.46Å; P92-F118 HydrophobicContact CB-CE2 3.94Å; P92-F118 HydrophobicContact CG-CD2 4.28Å; P92-F118 HydrophobicContact CG-CE2 4.26Å; I116-F118 HydrophobicContact CG2-CE1 4.27Å; I116-F118 HydrophobicContact CG2-CE2 3.93Å; I116-F118 HydrophobicContact CG2-CZ 3.81Å
119	V	96.5	Very high	87.8	Confident	5 Å²	5	50.9 Å²	50.9	3%	0.03	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	115.1	175.1	176.3	0	0	0	0	108.2	V80 I81 Y82 T83 R154 C155	V80-V119 HydrophobicContact CG1-CB 4.32Å; V80-V119 HydrophobicContact CG1-CG2 3.58Å; I81-V119 PolarHBondContact O-N 3.44Å; Y82-V119 WeakPolarHBondContact CA-O 3.44Å; Y82-V119 HydrophobicContact CD1-CB 3.79Å; Y82-V119 HydrophobicContact CD1-CG1 3.83Å; Y82-V119 HydrophobicContact CD1-CG2 4.36Å; Y82-V119 HydrophobicContact CE1-CB 4.28Å; Y82-V119 HydrophobicContact CE1-CG1 4.25Å; Y82-V119 HydrophobicContact CE1-CG2 4.4Å; T83-V119 PolarHBondContact N-O 3.48Å; V119-R154 HydrophobicContact CG1-CB 3.65Å; V119-R154 HydrophobicContact CG1-CG 4.42Å; V119-C155 HydrophobicContact CG2-CB 3.74Å
120	P	96.6	Very high	88.2	Confident	47 Å²	47	52.3 Å²	52.3	31%	0.305	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	139.3	-179.8	25.9	-33.3	0	0	0	110.6	T83 L89 R154	T83-P120 CarbonylContact O-C 3.52Å; T83-P120 VanDerWaalsContact O-CA 3.24Å; T83-P120 WeakPolarHBondContact O-CA 3.44Å; L89-P120 HydrophobicContact CD1-CB 3.81Å; L89-P120 HydrophobicContact CD2-CB 3.82Å; L89-P120 HydrophobicContact CD2-CG 4.47Å; L89-P120 HydrophobicContact CG-CB 4.49Å; P120-R154 PolarHBondContact O-NH1 3.09Å
121	L	97	Very high	89	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.277	C	S	.	.			trans	-106.9	100	169.4	-65.4	176.8	0	0	0	108.7	F49 P51 T83 N84 S123 D124 V147 A151	F49-L121 HydrophobicContact CE2-CD1 4.01Å; F49-L121 HydrophobicContact CZ-CD1 4.18Å; P51-L121 HydrophobicContact CB-CD1 4.34Å; P51-L121 HydrophobicContact CG-CD1 4.08Å; T83-L121 PolarHBondContact O-N 3.32Å; N84-L121 HydrophobicContact CB-CB 4.42Å; N84-L121 WeakPolarHBondContact CB-O 3.29Å; N84-L121 PolarHBondContact OD1-O 3.16Å; L121-S123 VanDerWaalsContact C-N 3.3Å; L121-S123 PolarHBondContact O-N 3.03Å; L121-D124 HydrophobicContact CB-CB 4.47Å; L121-V147 HydrophobicContact CB-CG1 4.16Å; L121-V147 HydrophobicContact CD1-CG1 3.79Å; L121-V147 HydrophobicContact CD2-CG1 3.83Å; L121-V147 HydrophobicContact CG-CG1 4.14Å; L121-A151 HydrophobicContact CD2-CB 3.97Å
122	K	94.9	Very high	89.8	Confident	157 Å²	157	50.2 Å²	50.2	68%	0.683	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-18.5	-175.9	-58.5	-174.2	177.7	-173.8	0	112.2	E150	K122-E150 WeakPolarHBondContact CA-OE1 3.28Å; K122-E150 WeakPolarHBondContact CB-OE1 3.23Å; K122-E150 PolarHBondContact N-OE1 3.39Å; K122-E150 PolarHBondContact N-OE2 3.49Å
123	S	95.2	Very high	90.3	Very high	27 Å²	27	59.1 Å²	59.1	19%	0.189	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	16.8	179.6	72	0	0	0	0	113.4	L121 I125 L126 V147 E150	L121-S123 VanDerWaalsContact C-N 3.3Å; L121-S123 PolarHBondContact O-N 3.03Å; S123-I125 PolarHBondContact O-N 3.2Å; S123-I125 VanDerWaalsContact O-N 3.09Å; S123-L126 WeakPolarHBondContact O-CB 3.45Å; S123-L126 VanDerWaalsContact O-CG 3.25Å; S123-L126 WeakPolarHBondContact O-CG 3.49Å; S123-L126 PolarHBondContact O-N 2.97Å; S123-V147 VanDerWaalsContact O-CG2 3.28Å; S123-V147 WeakPolarHBondContact O-CG2 3.41Å; S123-V147 WeakPolarHBondContact OG-CG2 3.39Å; S123-E150 WeakPolarHBondContact CB-OE2 3.28Å; S123-E150 PolarHBondContact N-OE1 2.95Å; S123-E150 PolarHBondContact N-OE2 3.03Å; S123-E150 VanDerWaalsContact OG-CD 3.31Å; S123-E150 PolarHBondContact OG-OE2 3.23Å
124	D	91	Very high	90.7	Very high	25 Å²	25	62 Å²	62	13%	0.134	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-57.7	-24.9	-179.1	79.7	-54.5	0	0	0	114.1	N84 L121 L126 L127	N84-D124 HydrophobicContact CB-CB 3.68Å; N84-D124 VanDerWaalsContact CG-CG 3.47Å; N84-D124 PolarHBondContact ND2-OD1 2.77Å; N84-D124 PolarHBondContact ND2-OD2 3.28Å; L121-D124 HydrophobicContact CB-CB 4.47Å; D124-L126 PolarHBondContact O-N 2.83Å; D124-L126 VanDerWaalsContact O-N 3.07Å; D124-L127 WeakPolarHBondContact O-CA 3.23Å; D124-L127 WeakPolarHBondContact O-CB 3.44Å; D124-L127 WeakPolarHBondContact O-CG 3.42Å; D124-L127 PolarHBondContact O-N 3.14Å
125	I	92.6	Very high	91.1	Very high	104 Å²	104	64.1 Å²	64.1	53%	0.533	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-53	-30	172.7	-167.2	167.3	0	0	0	111.8	S123 L127 T128	S123-I125 PolarHBondContact O-N 3.2Å; S123-I125 VanDerWaalsContact O-N 3.09Å; I125-L127 PolarHBondContact O-N 3.04Å; I125-T128 WeakPolarHBondContact O-CB 3.39Å; I125-T128 PolarHBondContact O-N 2.81Å; I125-T128 VanDerWaalsContact O-N 3.08Å
126	L	95.4	Very high	90.8	Very high	41 Å²	41	65.8 Å²	65.8	22%	0.215	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-67.1	-15.3	175.3	-58.2	179.3	0	0	0	113.3	S123 D124 L131 Y132 L146 V147	S123-L126 WeakPolarHBondContact O-CB 3.45Å; S123-L126 VanDerWaalsContact O-CG 3.25Å; S123-L126 WeakPolarHBondContact O-CG 3.49Å; S123-L126 PolarHBondContact O-N 2.97Å; D124-L126 PolarHBondContact O-N 2.83Å; D124-L126 VanDerWaalsContact O-N 3.07Å; L126-L131 HydrophobicContact CD2-CD2 3.8Å; L126-Y132 WeakPolarHBondContact O-CE2 2.89Å; L126-Y132 PolarHBondContact O-OH 3.22Å; L126-L146 HydrophobicContact CD1-CB 3.86Å; L126-L146 HydrophobicContact CD1-CD1 3.88Å; L126-V147 HydrophobicContact CB-CG2 4.06Å; L126-V147 HydrophobicContact CD1-CG2 4.45Å
127	L	92.5	Very high	90.5	Very high	2 Å²	2	66.6 Å²	66.6	1%	0.01	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-86.9	-13.5	174.6	-53.1	-179.7	0	0	0	112.2	P51 D124 I125 Q140 S144 V147 F166	P51-L127 HydrophobicContact CB-CD1 3.81Å; P51-L127 HydrophobicContact CG-CD1 3.48Å; P51-L127 VanDerWaalsContact CG-CD1 3.48Å; D124-L127 WeakPolarHBondContact O-CA 3.23Å; D124-L127 WeakPolarHBondContact O-CB 3.44Å; D124-L127 WeakPolarHBondContact O-CG 3.42Å; D124-L127 PolarHBondContact O-N 3.14Å; I125-L127 PolarHBondContact O-N 3.04Å; L127-Q140 PolarHBondContact O-NE2 3.23Å; L127-S144 VanDerWaalsContact CD2-CA 3.48Å; L127-V147 HydrophobicContact CD1-CG1 4.3Å; L127-V147 HydrophobicContact CD1-CG2 4.46Å; L127-V147 HydrophobicContact CD2-CB 4.13Å; L127-V147 HydrophobicContact CD2-CG2 3.73Å; L127-V147 HydrophobicContact CG-CG2 3.88Å; L127-F166 HydrophobicContact CB-CE1 4.14Å; L127-F166 HydrophobicContact CB-CZ 3.84Å; L127-F166 HydrophobicContact CD1-CE2 3.99Å; L127-F166 HydrophobicContact CD1-CZ 3.95Å; L127-F166 HydrophobicContact CD2-CD1 4.1Å; L127-F166 HydrophobicContact CD2-CE1 3.78Å; L127-F166 HydrophobicContact CD2-CZ 4.04Å; L127-F166 HydrophobicContact CG-CE1 4.38Å; L127-F166 HydrophobicContact CG-CZ 4.17Å
128	T	89	Confident	90.3	Very high	39 Å²	39	66.5 Å²	66.5	24%	0.239	33%	0.329	C	S	.	.			trans	-79	126.9	-171.7	-61.8	0	0	0	0	111.3	I125 K130 L131	I125-T128 WeakPolarHBondContact O-CB 3.39Å; I125-T128 PolarHBondContact O-N 2.81Å; I125-T128 VanDerWaalsContact O-N 3.08Å; T128-K130 HydrophobicContact CG2-CB 3.87Å; T128-K130 HydrophobicContact CG2-CD 4.38Å; T128-K130 HydrophobicContact CG2-CG 4.07Å; T128-K130 PolarHBondContact O-N 3.1Å; T128-K130 VanDerWaalsContact O-N 3.13Å; T128-L131 WeakPolarHBondContact O-CB 3.03Å; T128-L131 PolarHBondContact O-N 2.9Å; T128-L131 VanDerWaalsContact O-N 3.13Å
129	P	84.5	Confident	90.2	Very high	71 Å²	71	65.8 Å²	65.8	46%	0.461	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-56.7	-33.3	178.8	-19.8	25.1	0	0	0	113.8	L131 Y132 T136 Q140	P129-L131 PolarHBondContact O-N 2.87Å; P129-L131 VanDerWaalsContact O-N 3.15Å; P129-Y132 PolarHBondContact O-N 2.81Å; P129-T136 HydrophobicContact CB-CG2 3.84Å; P129-Q140 VanDerWaalsContact CG-NE2 3.34Å
130	K	84.1	Confident	90.1	Very high	164 Å²	164	67.3 Å²	67.3	71%	0.713	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-58.4	-26.1	-179.2	-61.9	179.8	-179	172.9	0	113.2	T128 Y132	T128-K130 HydrophobicContact CG2-CB 3.87Å; T128-K130 HydrophobicContact CG2-CD 4.38Å; T128-K130 HydrophobicContact CG2-CG 4.07Å; T128-K130 PolarHBondContact O-N 3.1Å; T128-K130 VanDerWaalsContact O-N 3.13Å; K130-Y132 PolarHBondContact O-N 2.91Å
131	L	87	Confident	90	Very high	86 Å²	86	65.6 Å²	65.6	45%	0.45	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-69.1	-24.4	178.3	-171.9	62.5	0	0	0	111.9	L126 T128 P129	L126-L131 HydrophobicContact CD2-CD2 3.8Å; T128-L131 WeakPolarHBondContact O-CB 3.03Å; T128-L131 PolarHBondContact O-N 2.9Å; T128-L131 VanDerWaalsContact O-N 3.13Å; P129-L131 PolarHBondContact O-N 2.87Å; P129-L131 VanDerWaalsContact O-N 3.15Å
132	Y	88.5	Confident	89.9	Confident	38 Å²	38	71.9 Å²	71.9	15%	0.149	35%	0.353	C	S	.	.			trans	-117.3	90	-170.8	-50.2	-73.2	0	0	0	111.4	L126 P129 K130 L134 T136 G139 Q140	L126-Y132 WeakPolarHBondContact O-CE2 2.89Å; L126-Y132 PolarHBondContact O-OH 3.22Å; P129-Y132 PolarHBondContact O-N 2.81Å; K130-Y132 PolarHBondContact O-N 2.91Å; Y132-L134 VanDerWaalsContact C-N 3.29Å; Y132-L134 PolarHBondContact O-N 2.65Å; Y132-T136 PolarHBondContact O-OG1 2.77Å; Y132-G139 VanDerWaalsContact CD1-CA 3.44Å; Y132-G139 VanDerWaalsContact CE2-C 3.42Å; Y132-G139 PolarHBondContact OH-O 3.26Å; Y132-Q140 HydrophobicContact CD2-CG 3.72Å; Y132-Q140 HydrophobicContact CE2-CB 4.38Å; Y132-Q140 HydrophobicContact CE2-CG 3.83Å
133	R	83.6	Confident	90	Very high	235 Å²	235	64.4 Å²	64.4	89%	0.887	32%	0.321	S	S	*	.	S	Bend	trans	-67.8	-26	179.1	-66	179.4	67.5	168.7	1	113.7
134	L	82	Confident	90.1	Very high	113 Å²	113	63.1 Å²	63.1	59%	0.592	31%	0.312	S	S	*	.	S	Bend	trans	-128.4	149.4	175.7	-64.3	174.4	0	0	0	108.8	Y132 T136 W219	Y132-L134 VanDerWaalsContact C-N 3.29Å; Y132-L134 PolarHBondContact O-N 2.65Å; L134-T136 PolarHBondContact O-N 2.98Å; L134-W219 HydrophobicContact CD2-CH2 4.2Å; L134-W219 HydrophobicContact CD2-CZ2 4.17Å
135	F	85.3	Confident	90.4	Very high	104 Å²	104	63.8 Å²	63.8	46%	0.456	32%	0.317	S	S	.	.	S	Bend	trans	51.1	41.6	179.5	-56	-67.3	0	0	0	113.6	L137 A138 G139 I229 Y233	F135-L137 VanDerWaalsContact C-N 3.27Å; F135-L137 PolarHBondContact O-N 2.94Å; F135-L137 VanDerWaalsContact O-N 3.11Å; F135-A138 PolarHBondContact O-N 3.12Å; F135-G139 PolarHBondContact O-N 3.41Å; F135-I229 HydrophobicContact CE1-CG2 4.36Å; F135-I229 HydrophobicContact CZ-CG2 4.08Å; F135-Y233 HydrophobicContact CB-CD2 4.34Å; F135-Y233 HydrophobicContact CB-CE2 3.76Å; F135-Y233 AromaticContact CD1-CD1 3.87Å; F135-Y233 HydrophobicContact CD1-CD1 3.87Å; F135-Y233 AromaticContact CD1-CD2 3.32Å; F135-Y233 HydrophobicContact CD1-CD2 3.32Å; F135-Y233 HydrophobicContact CD1-CE1 4.12Å; F135-Y233 AromaticContact CD1-CE2 3.56Å; F135-Y233 HydrophobicContact CD1-CE2 3.56Å; F135-Y233 AromaticContact CD1-CG 3.46Å; F135-Y233 HydrophobicContact CD1-CG 3.46Å; F135-Y233 VanDerWaalsContact CD1-CG 3.46Å; F135-Y233 AromaticContact CD1-CZ 3.96Å; F135-Y233 HydrophobicContact CE1-CD1 4.28Å; F135-Y233 AromaticContact CE1-CD2 3.95Å; F135-Y233 HydrophobicContact CE1-CD2 3.95Å; F135-Y233 AromaticContact CE1-CG 3.75Å; F135-Y233 HydrophobicContact CE1-CG 3.75Å; F135-Y233 HydrophobicContact CG-CD2 4.19Å; F135-Y233 HydrophobicContact CG-CE2 4.1Å; F135-Y233 PolarHBondContact O-OH 2.79Å
136	T	86.6	Confident	90.6	Very high	47 Å²	47	62 Å²	62	29%	0.288	31%	0.308	S	S	.	.	H	α-helix	trans	-49.9	-43	-170	-49.4	0	0	0	0	113.6	P129 Y132 L134 G139 Q140	P129-T136 HydrophobicContact CB-CG2 3.84Å; Y132-T136 PolarHBondContact O-OG1 2.77Å; L134-T136 PolarHBondContact O-N 2.98Å; T136-G139 PolarHBondContact O-N 3.05Å; T136-Q140 WeakPolarHBondContact O-CB 3.44Å; T136-Q140 WeakPolarHBondContact O-CG 3.4Å; T136-Q140 PolarHBondContact O-N 3.32Å
137	L	87.9	Confident	90.8	Very high	26 Å²	26	60 Å²	60	14%	0.136	30%	0.298	C	S	.	.	H	α-helix	trans	-66	-44.7	179.2	-54.6	173.8	0	0	0	112.4	F135 G139 Q140 A141 I190 M194 Y233 Y234 F237	F135-L137 VanDerWaalsContact C-N 3.27Å; F135-L137 PolarHBondContact O-N 2.94Å; F135-L137 VanDerWaalsContact O-N 3.11Å; L137-G139 VanDerWaalsContact C-N 3.35Å; L137-Q140 PolarHBondContact O-N 2.8Å; L137-A141 VanDerWaalsContact O-CB 3.28Å; L137-A141 WeakPolarHBondContact O-CB 3.48Å; L137-A141 PolarHBondContact O-N 2.76Å; L137-I190 HydrophobicContact CD1-CD1 4.3Å; L137-M194 HydrophobicContact CD1-CE 4.2Å; L137-Y233 VanDerWaalsContact CB-OH 3.3Å; L137-Y233 WeakPolarHBondContact CB-OH 3.4Å; L137-Y233 PolarHBondContact N-OH 3.23Å; L137-Y234 HydrophobicContact CD1-CE1 4.35Å; L137-F237 HydrophobicContact CB-CD2 4.32Å; L137-F237 HydrophobicContact CB-CE1 4.06Å; L137-F237 HydrophobicContact CB-CE2 3.82Å; L137-F237 HydrophobicContact CB-CZ 3.66Å; L137-F237 HydrophobicContact CD1-CE1 4.39Å; L137-F237 VanDerWaalsContact O-CE2 3.27Å; L137-F237 WeakPolarHBondContact O-CE2 3.28Å
138	A	90.9	Very high	91	Very high	37 Å²	37	59.9 Å²	59.9	31%	0.306	30%	0.297	S	S	.	.	H	α-helix	trans	-67	-37.9	175.6	0	0	0	0	0	112.2	F135 A141 F142 Y233 F237	F135-A138 PolarHBondContact O-N 3.12Å; A138-A141 PolarHBondContact O-N 2.8Å; A138-F142 WeakPolarHBondContact O-CB 3.29Å; A138-F142 PolarHBondContact O-N 3.42Å; A138-Y233 HydrophobicContact CB-CD2 4.49Å; A138-Y233 HydrophobicContact CB-CE2 3.59Å; A138-Y233 PolarHBondContact N-OH 2.93Å; A138-F237 HydrophobicContact CB-CD2 4.1Å; A138-F237 HydrophobicContact CB-CE2 4.41Å
139	G	93.3	Very high	91.4	Very high	13 Å²	13	60.2 Å²	60.2	13%	0.134	30%	0.297	C	S	.	.	H	α-helix	trans	-56.7	-53.2	172.7	0	0	0	0	0	111.4	Y132 F135 T136 L137 A141 F142 G143	Y132-G139 VanDerWaalsContact CD1-CA 3.44Å; Y132-G139 VanDerWaalsContact CE2-C 3.42Å; Y132-G139 PolarHBondContact OH-O 3.26Å; F135-G139 PolarHBondContact O-N 3.41Å; T136-G139 PolarHBondContact O-N 3.05Å; L137-G139 VanDerWaalsContact C-N 3.35Å; G139-A141 PolarHBondContact O-N 3.47Å; G139-F142 PolarHBondContact O-N 3.28Å; G139-G143 PolarHBondContact O-N 3.14Å
140	Q	93.4	Very high	92.1	Very high	37 Å²	37	58.2 Å²	58.2	17%	0.173	28%	0.281	C	S	.	.	H	α-helix	trans	-63.6	-37.6	177.6	-70.8	-177.4	-78.3	0	0	112.9	L127 P129 Y132 T136 L137 G143 S144	L127-Q140 PolarHBondContact O-NE2 3.23Å; P129-Q140 VanDerWaalsContact CG-NE2 3.34Å; Y132-Q140 HydrophobicContact CD2-CG 3.72Å; Y132-Q140 HydrophobicContact CE2-CB 4.38Å; Y132-Q140 HydrophobicContact CE2-CG 3.83Å; T136-Q140 WeakPolarHBondContact O-CB 3.44Å; T136-Q140 WeakPolarHBondContact O-CG 3.4Å; T136-Q140 PolarHBondContact O-N 3.32Å; L137-Q140 PolarHBondContact O-N 2.8Å; Q140-G143 PolarHBondContact O-N 3.25Å; Q140-S144 WeakPolarHBondContact O-CB 3.46Å; Q140-S144 PolarHBondContact O-N 3.3Å
141	A	94.5	Very high	92.7	Very high	11 Å²	11	50.4 Å²	50.4	9%	0.091	25%	0.248	C	C	.	.	H	α-helix	trans	-66	-41.7	176.2	0	0	0	0	0	112.2	L137 A138 G139 S144 V145 F168 F237	L137-A141 VanDerWaalsContact O-CB 3.28Å; L137-A141 WeakPolarHBondContact O-CB 3.48Å; L137-A141 PolarHBondContact O-N 2.76Å; A138-A141 PolarHBondContact O-N 2.8Å; G139-A141 PolarHBondContact O-N 3.47Å; A141-S144 PolarHBondContact O-N 2.8Å; A141-S144 PolarHBondContact O-OG 2.91Å; A141-V145 WeakPolarHBondContact O-CG2 3.29Å; A141-V145 PolarHBondContact O-N 3.19Å; A141-V145 VanDerWaalsContact O-N 3.07Å; A141-F168 HydrophobicContact CB-CD1 4.32Å; A141-F168 HydrophobicContact CB-CD2 3.44Å; A141-F168 VanDerWaalsContact CB-CD2 3.44Å; A141-F168 HydrophobicContact CB-CE1 4.32Å; A141-F168 HydrophobicContact CB-CE2 3.42Å; A141-F168 VanDerWaalsContact CB-CE2 3.42Å; A141-F168 HydrophobicContact CB-CG 3.91Å; A141-F168 HydrophobicContact CB-CZ 3.89Å; A141-F237 HydrophobicContact CB-CE2 3.63Å; A141-F237 HydrophobicContact CB-CZ 4.12Å
142	F	95.7	Very high	93.2	Very high	132 Å²	132	46.3 Å²	46.3	58%	0.579	23%	0.226	S	C	*	.	H	α-helix	trans	-66.4	-44	173.9	-179.9	-101.8	0	0	0	111.1	A138 G139 S144 V145 L146	A138-F142 WeakPolarHBondContact O-CB 3.29Å; A138-F142 PolarHBondContact O-N 3.42Å; G139-F142 PolarHBondContact O-N 3.28Å; F142-S144 VanDerWaalsContact C-N 3.29Å; F142-S144 PolarHBondContact O-N 3.32Å; F142-V145 WeakPolarHBondContact O-CB 3.4Å; F142-V145 PolarHBondContact O-N 3.14Å; F142-V145 VanDerWaalsContact O-N 3.13Å; F142-L146 HydrophobicContact CD1-CD1 4.23Å; F142-L146 HydrophobicContact CE1-CD1 3.66Å; F142-L146 HydrophobicContact CE1-CG 4.24Å; F142-L146 HydrophobicContact CZ-CD1 4.16Å; F142-L146 HydrophobicContact CZ-CD2 4.44Å; F142-L146 HydrophobicContact CZ-CG 4.41Å; F142-L146 PolarHBondContact O-N 3.44Å
143	G	96.7	Very high	93.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-56.4	-43.5	172.7	0	0	0	0	0	112.2	G139 Q140 V145 L146 V147	G139-G143 PolarHBondContact O-N 3.14Å; Q140-G143 PolarHBondContact O-N 3.25Å; G143-V145 VanDerWaalsContact C-N 3.3Å; G143-V145 PolarHBondContact O-N 2.98Å; G143-L146 PolarHBondContact O-N 2.82Å; G143-L146 VanDerWaalsContact O-N 3.12Å; G143-V147 WeakPolarHBondContact O-CG2 3.26Å; G143-V147 PolarHBondContact O-N 3.43Å
144	S	97	Very high	94.3	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.007	21%	0.205	C	C	.	.	H	α-helix	trans	-67.6	-29	178	79.8	0	0	0	0	112.8	L127 Q140 A141 F142 G148 T169	L127-S144 VanDerWaalsContact CD2-CA 3.48Å; Q140-S144 WeakPolarHBondContact O-CB 3.46Å; Q140-S144 PolarHBondContact O-N 3.3Å; A141-S144 PolarHBondContact O-N 2.8Å; A141-S144 PolarHBondContact O-OG 2.91Å; F142-S144 VanDerWaalsContact C-N 3.29Å; F142-S144 PolarHBondContact O-N 3.32Å; S144-G148 WeakPolarHBondContact O-CA 3.48Å; S144-G148 PolarHBondContact O-N 3.23Å; S144-T169 VanDerWaalsContact O-CG2 3.31Å; S144-T169 WeakPolarHBondContact O-CG2 3.45Å
145	V	97.8	Very high	95	Very high	38 Å²	38	35 Å²	35	23%	0.23	18%	0.178	C	C	.	.	H	α-helix	trans	-62.3	-45.5	169.8	165.8	0	0	0	0	111.1	A141 F142 G143 G148 L149 F168 L172	A141-V145 WeakPolarHBondContact O-CG2 3.29Å; A141-V145 PolarHBondContact O-N 3.19Å; A141-V145 VanDerWaalsContact O-N 3.07Å; F142-V145 WeakPolarHBondContact O-CB 3.4Å; F142-V145 PolarHBondContact O-N 3.14Å; F142-V145 VanDerWaalsContact O-N 3.13Å; G143-V145 VanDerWaalsContact C-N 3.3Å; G143-V145 PolarHBondContact O-N 2.98Å; V145-G148 PolarHBondContact O-N 3.19Å; V145-L149 HydrophobicContact CG1-CD1 4.47Å; V145-L149 WeakPolarHBondContact O-CG 3.39Å; V145-L149 PolarHBondContact O-N 3.47Å; V145-F168 HydrophobicContact CG2-CB 4.01Å; V145-L172 HydrophobicContact CB-CD1 4.23Å; V145-L172 HydrophobicContact CG1-CD1 3.95Å; V145-L172 HydrophobicContact CG1-CD2 4.21Å; V145-L172 HydrophobicContact CG2-CD1 4.39Å; V145-L172 VanDerWaalsContact O-CD1 3.31Å; V145-L172 WeakPolarHBondContact O-CD1 3.28Å
146	L	97.8	Very high	95.7	Very high	66 Å²	66	30 Å²	30	35%	0.346	16%	0.156	S	C	.	.	H	α-helix	trans	-65.3	-43.3	178.4	-62.3	179.3	0	0	0	112.1	L126 F142 G143 G148 L149 E150	L126-L146 HydrophobicContact CD1-CB 3.86Å; L126-L146 HydrophobicContact CD1-CD1 3.88Å; F142-L146 HydrophobicContact CD1-CD1 4.23Å; F142-L146 HydrophobicContact CE1-CD1 3.66Å; F142-L146 HydrophobicContact CE1-CG 4.24Å; F142-L146 HydrophobicContact CZ-CD1 4.16Å; F142-L146 HydrophobicContact CZ-CD2 4.44Å; F142-L146 HydrophobicContact CZ-CG 4.41Å; F142-L146 PolarHBondContact O-N 3.44Å; G143-L146 PolarHBondContact O-N 2.82Å; G143-L146 VanDerWaalsContact O-N 3.12Å; L146-G148 VanDerWaalsContact C-N 3.32Å; L146-G148 PolarHBondContact O-N 2.9Å; L146-L149 PolarHBondContact O-N 3.35Å; L146-E150 PolarHBondContact O-N 2.87Å
147	V	98	Very high	96.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-66.6	-35.5	175.5	-174.6	0	0	0	0	111.3	F49 L121 S123 L126 L127 G143 E150 A151	F49-V147 HydrophobicContact CE2-CG1 4.15Å; F49-V147 HydrophobicContact CZ-CB 4.36Å; F49-V147 HydrophobicContact CZ-CG1 3.82Å; L121-V147 HydrophobicContact CB-CG1 4.16Å; L121-V147 HydrophobicContact CD1-CG1 3.79Å; L121-V147 HydrophobicContact CD2-CG1 3.83Å; L121-V147 HydrophobicContact CG-CG1 4.14Å; S123-V147 VanDerWaalsContact O-CG2 3.28Å; S123-V147 WeakPolarHBondContact O-CG2 3.41Å; S123-V147 WeakPolarHBondContact OG-CG2 3.39Å; L126-V147 HydrophobicContact CB-CG2 4.06Å; L126-V147 HydrophobicContact CD1-CG2 4.45Å; L127-V147 HydrophobicContact CD1-CG1 4.3Å; L127-V147 HydrophobicContact CD1-CG2 4.46Å; L127-V147 HydrophobicContact CD2-CB 4.13Å; L127-V147 HydrophobicContact CD2-CG2 3.73Å; L127-V147 HydrophobicContact CG-CG2 3.88Å; G143-V147 WeakPolarHBondContact O-CG2 3.26Å; G143-V147 PolarHBondContact O-N 3.43Å; V147-E150 WeakPolarHBondContact O-CB 3.34Å; V147-E150 PolarHBondContact O-N 2.74Å; V147-A151 PolarHBondContact O-N 2.88Å
148	G	97.9	Very high	96.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.6	-41.8	174.2	0	0	0	0	0	112.5	S144 V145 L146 A151 I152	S144-G148 WeakPolarHBondContact O-CA 3.48Å; S144-G148 PolarHBondContact O-N 3.23Å; V145-G148 PolarHBondContact O-N 3.19Å; L146-G148 VanDerWaalsContact C-N 3.32Å; L146-G148 PolarHBondContact O-N 2.9Å; G148-A151 WeakPolarHBondContact O-CB 3.17Å; G148-A151 PolarHBondContact O-N 3.41Å; G148-I152 VanDerWaalsContact O-CG1 3.28Å; G148-I152 WeakPolarHBondContact O-CG1 3.34Å; G148-I152 PolarHBondContact O-N 3.45Å
149	L	97.3	Very high	97.1	Very high	46 Å²	46	25.8 Å²	25.8	24%	0.241	13%	0.127	C	C	.	.	H	α-helix	trans	-62.3	-44.1	171.8	-72.3	172.6	0	0	0	111.2	V145 L146 A151 I152 F153 L172 L176	V145-L149 HydrophobicContact CG1-CD1 4.47Å; V145-L149 WeakPolarHBondContact O-CG 3.39Å; V145-L149 PolarHBondContact O-N 3.47Å; L146-L149 PolarHBondContact O-N 3.35Å; L149-A151 VanDerWaalsContact C-N 3.33Å; L149-A151 PolarHBondContact O-N 3.35Å; L149-I152 PolarHBondContact O-N 3.38Å; L149-F153 HydrophobicContact CB-CD2 4.28Å; L149-F153 HydrophobicContact CB-CE2 4.18Å; L149-F153 HydrophobicContact CD2-CE2 4.34Å; L149-F153 WeakPolarHBondContact O-CD2 3.42Å; L149-F153 PolarHBondContact O-N 2.86Å; L149-L172 HydrophobicContact CD2-CD2 4.49Å; L149-L172 HydrophobicContact CG-CD1 4.23Å; L149-L176 HydrophobicContact CD2-CD1 3.55Å
150	E	97.9	Very high	97.3	Very high	28 Å²	28	25.2 Å²	25.2	13%	0.131	12%	0.121	C	C	.	.	H	α-helix	trans	-56	-46.7	174.5	178.2	-176.5	-147.9	0	0	111.7	K122 S123 L146 V147 F153 R154	K122-E150 WeakPolarHBondContact CA-OE1 3.28Å; K122-E150 WeakPolarHBondContact CB-OE1 3.23Å; K122-E150 PolarHBondContact N-OE1 3.39Å; K122-E150 PolarHBondContact N-OE2 3.49Å; S123-E150 WeakPolarHBondContact CB-OE2 3.28Å; S123-E150 PolarHBondContact N-OE1 2.95Å; S123-E150 PolarHBondContact N-OE2 3.03Å; S123-E150 VanDerWaalsContact OG-CD 3.31Å; S123-E150 PolarHBondContact OG-OE2 3.23Å; L146-E150 PolarHBondContact O-N 2.87Å; V147-E150 WeakPolarHBondContact O-CB 3.34Å; V147-E150 PolarHBondContact O-N 2.74Å; E150-F153 PolarHBondContact O-N 2.9Å; E150-R154 VanDerWaalsContact CG-CZ 3.47Å; E150-R154 WeakPolarHBondContact O-CG 3.23Å; E150-R154 PolarHBondContact O-N 2.88Å; E150-R154 VanDerWaalsContact O-N 3.09Å; E150-R154 IonicContact OE1-CZ 2.99Å; E150-R154 IonicContact OE1-NH1 2.6Å; E150-R154 PolarHBondContact OE1-NH1 2.78Å; E150-R154 IonicContact OE1-NH2 2.71Å; E150-R154 PolarHBondContact OE1-NH2 3.22Å; E150-R154 IonicContact OE2-NH1 2.74Å
151	A	98.2	Very high	97.6	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.008	11%	0.112	C	C	.	.	H	α-helix	trans	-57.5	-50	175.6	0	0	0	0	0	111.8	F49 Y82 L121 V147 G148 L149 R154 C155	F49-A151 HydrophobicContact CD2-CB 4.37Å; F49-A151 HydrophobicContact CE2-CB 4.19Å; Y82-A151 HydrophobicContact CD1-CB 3.51Å; Y82-A151 HydrophobicContact CD2-CB 4.46Å; Y82-A151 HydrophobicContact CE1-CB 3.81Å; Y82-A151 WeakPolarHBondContact CE1-O 3.47Å; Y82-A151 HydrophobicContact CG-CB 3.88Å; L121-A151 HydrophobicContact CD2-CB 3.97Å; V147-A151 PolarHBondContact O-N 2.88Å; G148-A151 WeakPolarHBondContact O-CB 3.17Å; G148-A151 PolarHBondContact O-N 3.41Å; L149-A151 VanDerWaalsContact C-N 3.33Å; L149-A151 PolarHBondContact O-N 3.35Å; A151-R154 PolarHBondContact O-N 2.98Å; A151-C155 PolarHBondContact O-N 2.92Å
152	I	97.5	Very high	97.7	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-58.6	-50.7	178.6	-72.4	165.5	0	0	0	111.2	I22 G148 L149 R154 C155 P156 L172 T173 L176 C177	I22-I152 HydrophobicContact CD1-CG2 3.6Å; I22-I152 HydrophobicContact CG1-CG2 3.93Å; I22-I152 HydrophobicContact CG2-CG2 4.16Å; G148-I152 VanDerWaalsContact O-CG1 3.28Å; G148-I152 WeakPolarHBondContact O-CG1 3.34Å; G148-I152 PolarHBondContact O-N 3.45Å; L149-I152 PolarHBondContact O-N 3.38Å; I152-R154 PolarHBondContact O-N 3.42Å; I152-C155 CarbonylContact O-C 3.56Å; I152-C155 PolarHBondContact O-N 2.72Å; I152-P156 WeakPolarHBondContact O-CD 3.48Å; I152-P156 WeakPolarHBondContact O-CG 3.27Å; I152-L172 HydrophobicContact CD1-CB 3.59Å; I152-T173 HydrophobicContact CD1-CG2 3.69Å; I152-T173 HydrophobicContact CG1-CG2 3.66Å; I152-L176 HydrophobicContact CD1-CD1 4.4Å; I152-C177 WeakPolarHBondContact CG2-SG 3.25Å
153	F	96.9	Very high	97.8	Very high	75 Å²	75	16.8 Å²	16.8	33%	0.329	8%	0.081	S	C	.	.	H	α-helix	trans	-65.8	-27.6	-177.6	-75.5	-60.3	0	0	0	112.7	I18 F21 I22 R25 L149 E150	I18-F153 HydrophobicContact CG2-CE1 4.43Å; I18-F153 HydrophobicContact CG2-CZ 4.18Å; F21-F153 AromaticContact CD1-CD1 3.8Å; F21-F153 HydrophobicContact CD1-CD1 3.8Å; F21-F153 AromaticContact CD1-CE1 3.81Å; F21-F153 HydrophobicContact CD1-CE1 3.81Å; F21-F153 AromaticContact CE1-CD1 3.69Å; F21-F153 HydrophobicContact CE1-CD1 3.69Å; F21-F153 HydrophobicContact CE1-CE1 4.11Å; I22-F153 HydrophobicContact CD1-CE1 4.26Å; I22-F153 HydrophobicContact CG1-CD1 4.19Å; I22-F153 HydrophobicContact CG1-CE1 3.98Å; R25-F153 WeakPolarHBondContact CG-O 3.07Å; R25-F153 PolarHBondContact NE-O 3.21Å; L149-F153 HydrophobicContact CB-CD2 4.28Å; L149-F153 HydrophobicContact CB-CE2 4.18Å; L149-F153 HydrophobicContact CD2-CE2 4.34Å; L149-F153 WeakPolarHBondContact O-CD2 3.42Å; L149-F153 PolarHBondContact O-N 2.86Å; E150-F153 PolarHBondContact O-N 2.9Å
154	R	97.4	Very high	97.6	Very high	69 Å²	69	19.1 Å²	19.1	26%	0.26	10%	0.096	S	C	.	.	H	α-helix	trans	-76.7	-51.1	175.1	-73.6	-166.5	178.6	113.8	20.5	112.6	R25 V119 P120 E150 A151 I152	R25-R154 PolarHBondContact NE-O 3.08Å; R25-R154 VanDerWaalsContact NE-O 3.16Å; R25-R154 PolarHBondContact NH2-O 3.2Å; V119-R154 HydrophobicContact CG1-CB 3.65Å; V119-R154 HydrophobicContact CG1-CG 4.42Å; P120-R154 PolarHBondContact O-NH1 3.09Å; E150-R154 VanDerWaalsContact CG-CZ 3.47Å; E150-R154 WeakPolarHBondContact O-CG 3.23Å; E150-R154 PolarHBondContact O-N 2.88Å; E150-R154 VanDerWaalsContact O-N 3.09Å; E150-R154 IonicContact OE1-CZ 2.99Å; E150-R154 IonicContact OE1-NH1 2.6Å; E150-R154 PolarHBondContact OE1-NH1 2.78Å; E150-R154 IonicContact OE1-NH2 2.71Å; E150-R154 PolarHBondContact OE1-NH2 3.22Å; E150-R154 IonicContact OE2-NH1 2.74Å; A151-R154 PolarHBondContact O-N 2.98Å; I152-R154 PolarHBondContact O-N 3.42Å
155	C	98.1	Very high	97.4	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.02	10%	0.103	C	C	.	.			trans	-148.2	92.2	-174.8	-175.9	0	0	0	0	109.2	V29 V80 Y82 V119 A151 I152 P157	V29-C155 HydrophobicContact CG1-CB 4.4Å; V29-C155 VanDerWaalsContact CG1-SG 3.54Å; V80-C155 HydrophobicContact CG1-CB 4.48Å; Y82-C155 HydrophobicContact CE1-CB 4.08Å; Y82-C155 WeakPolarHBondContact CE1-O 3.27Å; Y82-C155 PolarHBondContact OH-O 2.89Å; V119-C155 HydrophobicContact CG2-CB 3.74Å; A151-C155 PolarHBondContact O-N 2.92Å; I152-C155 CarbonylContact O-C 3.56Å; I152-C155 PolarHBondContact O-N 2.72Å; C155-P157 WeakPolarHBondContact O-CD 3.02Å
156	P	98.1	Very high	97.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.098	C	C	.	.			trans	-70	121.8	178.5	-12.8	24.5	0	0	0	111.2	I22 R25 K26 I152	I22-P156 HydrophobicContact CG2-CB 3.9Å; I22-P156 HydrophobicContact CG2-CG 4.01Å; R25-P156 HydrophobicContact CB-CG 4.27Å; R25-P156 HydrophobicContact CG-CG 4.01Å; K26-P156 HydrophobicContact CB-CB 3.95Å; K26-P156 HydrophobicContact CB-CG 3.95Å; K26-P156 HydrophobicContact CD-CB 4.23Å; K26-P156 HydrophobicContact CG-CB 4.19Å; I152-P156 WeakPolarHBondContact O-CD 3.48Å; I152-P156 WeakPolarHBondContact O-CG 3.27Å
157	P	98.3	Very high	97.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.082	C	C	.	.			trans	-85.2	160.6	-175.5	32.4	-31.4	0	0	0	113.3	K26 I45 Y82 C155 Y160 S179	K26-P157 PolarHBondContact NZ-O 3.3Å; I45-P157 HydrophobicContact CG2-CB 4.31Å; Y82-P157 VanDerWaalsContact OH-CD 3.31Å; Y82-P157 WeakPolarHBondContact OH-CD 3.47Å; Y82-P157 WeakPolarHBondContact OH-CG 3.49Å; C155-P157 WeakPolarHBondContact O-CD 3.02Å; P157-Y160 HydrophobicContact CG-CD2 3.95Å; P157-Y160 HydrophobicContact CG-CG 4.43Å; P157-S179 PolarHBondContact O-OG 3.32Å
158	D	98.4	Very high	97.2	Very high	21 Å²	21	17.4 Å²	17.4	11%	0.112	9%	0.087	C	C	.	.	S	Bend	trans	-82.7	-45.4	163.7	-67.5	-62.6	0	0	0	111.5	K26 H30 K44 I45 S179 Q180	K26-D158 WeakPolarHBondContact CE-OD1 3.44Å; K26-D158 IonicContact NZ-OD1 2.69Å; K26-D158 PolarHBondContact NZ-OD1 3.11Å; H30-D158 IonicContact CE1-OD2 3.06Å; H30-D158 PolarHBondContact CE1-OD2 3.16Å; H30-D158 IonicContact NE2-OD1 3.87Å; H30-D158 IonicContact NE2-OD2 3.34Å; H30-D158 PolarHBondContact NE2-OD2 3.37Å; K44-D158 WeakPolarHBondContact CA-OD2 3.34Å; K44-D158 HydrophobicContact CB-CB 4.37Å; K44-D158 HydrophobicContact CD-CB 3.93Å; I45-D158 PolarHBondContact N-OD2 2.64Å; I45-D158 PolarHBondContact O-N 3.11Å; D158-S179 CarbonylContact O-C 3.57Å; D158-S179 WeakPolarHBondContact O-CA 3.19Å; D158-S179 WeakPolarHBondContact O-CB 3.47Å; D158-Q180 PolarHBondContact O-N 3.48Å
159	V	98.6	Very high	97.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125.2	175.2	-179.7	0	0	0	0	108	I45 V46 G47 I161 Q180 F498 L500	I45-V159 PolarHBondContact O-N 2.97Å; V46-V159 CarbonylContact C-O 3.49Å; V46-V159 WeakPolarHBondContact CA-O 3.19Å; V46-V159 HydrophobicContact CG1-CB 4.28Å; V46-V159 HydrophobicContact CG1-CG1 4.31Å; V46-V159 HydrophobicContact CG2-CB 4.3Å; G47-V159 PolarHBondContact N-O 3.47Å; V159-I161 HydrophobicContact CG1-CD1 4.3Å; V159-I161 HydrophobicContact CG1-CG1 4.04Å; V159-Q180 CarbonylContact C-O 3.57Å; V159-Q180 VanDerWaalsContact CA-O 3.31Å; V159-Q180 WeakPolarHBondContact CA-O 3.36Å; V159-Q180 HydrophobicContact CG2-CB 4.31Å; V159-F498 HydrophobicContact CB-CD2 4.43Å; V159-F498 HydrophobicContact CG1-CD2 3.42Å; V159-F498 VanDerWaalsContact CG1-CD2 3.42Å; V159-F498 HydrophobicContact CG1-CE2 3.61Å; V159-F498 HydrophobicContact CG1-CG 4.15Å; V159-F498 HydrophobicContact CG1-CZ 4.49Å; V159-F498 HydrophobicContact CG2-CB 3.86Å; V159-F498 HydrophobicContact CG2-CD2 4.13Å; V159-F498 HydrophobicContact CG2-CG 4.09Å; V159-L500 HydrophobicContact CG2-CD2 3.68Å
160	Y	98.7	Very high	97.2	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.008	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	128.7	179	-179.4	-102.3	0	0	0	110.5	G47 F49 Y82 P157 D162 T169 I170 T173 Q180 T181 A182	G47-Y160 CarbonylContact O-C 3.5Å; G47-Y160 WeakPolarHBondContact O-CA 3.35Å; F49-Y160 HydrophobicContact CB-CE2 3.74Å; F49-Y160 WeakPolarHBondContact CB-OH 3.26Å; F49-Y160 HydrophobicContact CD2-CE2 4.22Å; F49-Y160 WeakPolarHBondContact CD2-OH 3.4Å; F49-Y160 HydrophobicContact CG-CE2 4.36Å; F49-Y160 WeakPolarHBondContact CG-OH 3.49Å; Y82-Y160 HydrophobicContact CD2-CE2 4.33Å; Y82-Y160 HydrophobicContact CE2-CD2 4.19Å; Y82-Y160 HydrophobicContact CE2-CE2 4.07Å; P157-Y160 HydrophobicContact CG-CD2 3.95Å; P157-Y160 HydrophobicContact CG-CG 4.43Å; Y160-D162 HydrophobicContact CE1-CB 4.49Å; Y160-T169 WeakPolarHBondContact OH-CB 3.35Å; Y160-T169 PolarHBondContact OH-OG1 2.82Å; Y160-I170 HydrophobicContact CD1-CG1 4.32Å; Y160-I170 HydrophobicContact CE1-CB 4.5Å; Y160-I170 HydrophobicContact CE1-CG1 3.93Å; Y160-T173 HydrophobicContact CD1-CG2 4.01Å; Y160-T173 WeakPolarHBondContact CD1-OG1 3.34Å; Y160-T173 HydrophobicContact CD2-CG2 3.62Å; Y160-T173 HydrophobicContact CE1-CG2 4.2Å; Y160-T173 HydrophobicContact CE2-CG2 3.8Å; Y160-T173 HydrophobicContact CG-CG2 3.68Å; Y160-Q180 PolarHBondContact N-O 3.08Å; Y160-T181 CarbonylContact O-C 3.19Å; Y160-T181 WeakPolarHBondContact O-CA 3.31Å; Y160-A182 PolarHBondContact O-N 2.89Å
161	I	98.6	Very high	97.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	112.6	-176.2	-46.3	-175.9	0	0	0	109.3	V46 G47 F48 F49 V159 T163 A182 W491 M495	V46-I161 HydrophobicContact CG1-CD1 3.75Å; V46-I161 HydrophobicContact CG1-CG1 4.32Å; G47-I161 PolarHBondContact O-N 2.92Å; F48-I161 WeakPolarHBondContact CA-O 3.37Å; F48-I161 HydrophobicContact CD1-CB 4.12Å; F48-I161 HydrophobicContact CD1-CG2 4.24Å; F48-I161 HydrophobicContact CE1-CB 4.24Å; F48-I161 HydrophobicContact CE1-CD1 4.07Å; F48-I161 HydrophobicContact CE1-CG2 4.09Å; F48-I161 HydrophobicContact CE2-CD1 4.11Å; F48-I161 HydrophobicContact CZ-CD1 3.78Å; F49-I161 PolarHBondContact N-O 3.33Å; V159-I161 HydrophobicContact CG1-CD1 4.3Å; V159-I161 HydrophobicContact CG1-CG1 4.04Å; I161-T163 HydrophobicContact CG2-CG2 3.8Å; I161-A182 WeakPolarHBondContact CA-O 3.36Å; I161-A182 HydrophobicContact CG1-CB 4.22Å; I161-A182 HydrophobicContact CG2-CB 4.16Å; I161-W491 HydrophobicContact CD1-CZ2 4.02Å; I161-W491 HydrophobicContact CG2-CH2 4Å; I161-W491 HydrophobicContact CG2-CZ2 4.34Å; I161-M495 HydrophobicContact CD1-SD 3.66Å
162	D	97.8	Very high	97.2	Very high	2 Å²	2	16 Å²	16	1%	0.011	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	122.5	167.4	176.1	28.9	0	0	0	109.3	Y160 T164 G165 F166 A167 I170 A182 A183 Y184	Y160-D162 HydrophobicContact CE1-CB 4.49Å; D162-T164 PolarHBondContact OD1-N 3.35Å; D162-G165 PolarHBondContact OD1-N 3.01Å; D162-G165 WeakPolarHBondContact OD2-CA 3.3Å; D162-G165 PolarHBondContact OD2-N 2.99Å; D162-F166 PolarHBondContact OD1-N 2.83Å; D162-F166 PolarHBondContact OD2-N 3.21Å; D162-A167 PolarHBondContact OD2-N 3.36Å; D162-I170 HydrophobicContact CB-CD1 4.01Å; D162-I170 HydrophobicContact CB-CG1 4.1Å; D162-A182 PolarHBondContact N-O 3.22Å; D162-A183 CarbonylContact O-C 3.41Å; D162-A183 WeakPolarHBondContact O-CA 3.26Å; D162-Y184 PolarHBondContact O-N 3.41Å
163	T	96.5	Very high	97.1	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.			trans	-123.9	10.3	177.8	50.4	0	0	0	0	112	F48 H50 I161 W491	F48-T163 HydrophobicContact CD1-CG2 3.73Å; F48-T163 HydrophobicContact CE1-CG2 3.99Å; H50-T163 PolarHBondContact CE1-O 3.1Å; H50-T163 PolarHBondContact ND1-OG1 3.48Å; I161-T163 HydrophobicContact CG2-CG2 3.8Å; T163-W491 HydrophobicContact CG2-CH2 4.31Å
164	T	93.3	Very high	97.2	Very high	50 Å²	50	14.6 Å²	14.6	31%	0.307	8%	0.075	S	C	.	.	S	Bend	trans	-115.2	-29.3	-179.6	-52.1	0	0	0	0	112.3	F49 H50 D162 F166	F49-T164 PolarHBondContact O-OG1 2.93Å; H50-T164 WeakPolarHBondContact CA-OG1 3.22Å; H50-T164 PolarHBondContact ND1-OG1 2.8Å; D162-T164 PolarHBondContact OD1-N 3.35Å; T164-F166 HydrophobicContact CG2-CD2 3.79Å; T164-F166 HydrophobicContact CG2-CE2 3.54Å
165	G	92.7	Very high	97.1	Very high	16 Å²	16	17 Å²	17	17%	0.165	8%	0.084	C	C	.	.	S	Bend	trans	106.9	25.9	-178.3	0	0	0	0	0	113.8	D162 A167 T189	D162-G165 PolarHBondContact OD1-N 3.01Å; D162-G165 WeakPolarHBondContact OD2-CA 3.3Å; D162-G165 PolarHBondContact OD2-N 2.99Å; G165-A167 VanDerWaalsContact C-N 3.31Å; G165-A167 PolarHBondContact O-N 2.99Å; G165-T189 PolarHBondContact O-OG1 3.45Å
166	F	94.9	Very high	97	Very high	29 Å²	29	18.3 Å²	18.3	13%	0.127	9%	0.091	C	C	.	.			trans	-93.8	50.5	174	-70.6	-68.3	0	0	0	111.6	F49 P51 L127 D162 T164 F168 T169	F49-F166 HydrophobicContact CD1-CB 4.15Å; F49-F166 HydrophobicContact CD1-CD2 4.06Å; F49-F166 HydrophobicContact CE1-CB 3.85Å; F49-F166 AromaticContact CE1-CD2 3.61Å; F49-F166 HydrophobicContact CE1-CD2 3.61Å; F49-F166 HydrophobicContact CE1-CE2 4.44Å; F49-F166 AromaticContact CE1-CG 3.95Å; F49-F166 HydrophobicContact CE1-CG 3.95Å; P51-F166 HydrophobicContact CG-CD2 4.31Å; P51-F166 HydrophobicContact CG-CE2 4.02Å; L127-F166 HydrophobicContact CB-CE1 4.14Å; L127-F166 HydrophobicContact CB-CZ 3.84Å; L127-F166 HydrophobicContact CD1-CE2 3.99Å; L127-F166 HydrophobicContact CD1-CZ 3.95Å; L127-F166 HydrophobicContact CD2-CD1 4.1Å; L127-F166 HydrophobicContact CD2-CE1 3.78Å; L127-F166 HydrophobicContact CD2-CZ 4.04Å; L127-F166 HydrophobicContact CG-CE1 4.38Å; L127-F166 HydrophobicContact CG-CZ 4.17Å; D162-F166 PolarHBondContact OD1-N 2.83Å; D162-F166 PolarHBondContact OD2-N 3.21Å; T164-F166 HydrophobicContact CG2-CD2 3.79Å; T164-F166 HydrophobicContact CG2-CE2 3.54Å; F166-F168 PolarHBondContact O-N 2.85Å; F166-T169 HydrophobicContact CB-CG2 4.15Å; F166-T169 WeakPolarHBondContact O-CG2 3.5Å; F166-T169 PolarHBondContact O-N 3.08Å; F166-T169 PolarHBondContact O-OG1 2.85Å
167	A	96.1	Very high	96.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-50.9	-23.2	-170.9	0	0	0	0	0	116	D162 G165 T169 I170 P171 Y241 W268	D162-A167 PolarHBondContact OD2-N 3.36Å; G165-A167 VanDerWaalsContact C-N 3.31Å; G165-A167 PolarHBondContact O-N 2.99Å; A167-T169 PolarHBondContact O-N 3.49Å; A167-I170 HydrophobicContact CB-CD1 4.22Å; A167-I170 WeakPolarHBondContact O-CB 3.26Å; A167-I170 PolarHBondContact O-N 3.39Å; A167-I170 VanDerWaalsContact O-N 3.11Å; A167-P171 VanDerWaalsContact O-CD 3.26Å; A167-P171 WeakPolarHBondContact O-CD 3.44Å; A167-Y241 HydrophobicContact CB-CD2 4.38Å; A167-Y241 HydrophobicContact CB-CE2 3.81Å; A167-W268 HydrophobicContact CB-CH2 4.14Å; A167-W268 HydrophobicContact CB-CZ2 3.68Å
168	F	97.3	Very high	96.8	Very high	24 Å²	24	24.6 Å²	24.6	11%	0.105	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-64.5	-16.1	174.9	-66.9	-85	0	0	0	114.3	A141 V145 F166 F237 A240 Y241 S244	A141-F168 HydrophobicContact CB-CD1 4.32Å; A141-F168 HydrophobicContact CB-CD2 3.44Å; A141-F168 VanDerWaalsContact CB-CD2 3.44Å; A141-F168 HydrophobicContact CB-CE1 4.32Å; A141-F168 HydrophobicContact CB-CE2 3.42Å; A141-F168 VanDerWaalsContact CB-CE2 3.42Å; A141-F168 HydrophobicContact CB-CG 3.91Å; A141-F168 HydrophobicContact CB-CZ 3.89Å; V145-F168 HydrophobicContact CG2-CB 4.01Å; F166-F168 PolarHBondContact O-N 2.85Å; F168-F237 HydrophobicContact CE2-CE1 4.41Å; F168-F237 HydrophobicContact CE2-CE2 4.05Å; F168-F237 AromaticContact CE2-CZ 3.7Å; F168-F237 HydrophobicContact CE2-CZ 3.7Å; F168-F237 HydrophobicContact CZ-CE1 4.44Å; F168-F237 AromaticContact CZ-CE2 3.95Å; F168-F237 HydrophobicContact CZ-CE2 3.95Å; F168-F237 AromaticContact CZ-CZ 3.9Å; F168-F237 HydrophobicContact CZ-CZ 3.9Å; F168-A240 HydrophobicContact CE1-CB 3.86Å; F168-A240 HydrophobicContact CZ-CB 4.34Å; F168-Y241 AromaticContact CE2-CD2 3.93Å; F168-Y241 HydrophobicContact CE2-CD2 3.93Å; F168-Y241 HydrophobicContact CZ-CD2 4.23Å; F168-S244 WeakPolarHBondContact CD1-OG 3.25Å; F168-S244 WeakPolarHBondContact CE1-OG 3.48Å
169	T	97.8	Very high	96.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-75.9	-26.5	172.7	59.9	0	0	0	0	112.7	F49 S144 Y160 F166 A167 L172 T173	F49-T169 HydrophobicContact CD1-CG2 4.45Å; F49-T169 HydrophobicContact CE1-CG2 4.07Å; F49-T169 HydrophobicContact CE2-CG2 4.17Å; F49-T169 HydrophobicContact CZ-CG2 3.91Å; S144-T169 VanDerWaalsContact O-CG2 3.31Å; S144-T169 WeakPolarHBondContact O-CG2 3.45Å; Y160-T169 WeakPolarHBondContact OH-CB 3.35Å; Y160-T169 PolarHBondContact OH-OG1 2.82Å; F166-T169 HydrophobicContact CB-CG2 4.15Å; F166-T169 WeakPolarHBondContact O-CG2 3.5Å; F166-T169 PolarHBondContact O-N 3.08Å; F166-T169 PolarHBondContact O-OG1 2.85Å; A167-T169 PolarHBondContact O-N 3.49Å; T169-L172 VanDerWaalsContact O-CB 3.32Å; T169-L172 WeakPolarHBondContact O-CB 3.33Å; T169-L172 PolarHBondContact O-N 3.43Å; T169-T173 PolarHBondContact O-N 2.8Å
170	I	98.3	Very high	96.8	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65.7	-46.6	-171.6	-54.9	169.2	0	0	0	112.2	Y160 D162 A167 L172 T173 K174 T181 A183 N249 V250	Y160-I170 HydrophobicContact CD1-CG1 4.32Å; Y160-I170 HydrophobicContact CE1-CB 4.5Å; Y160-I170 HydrophobicContact CE1-CG1 3.93Å; D162-I170 HydrophobicContact CB-CD1 4.01Å; D162-I170 HydrophobicContact CB-CG1 4.1Å; A167-I170 HydrophobicContact CB-CD1 4.22Å; A167-I170 WeakPolarHBondContact O-CB 3.26Å; A167-I170 PolarHBondContact O-N 3.39Å; A167-I170 VanDerWaalsContact O-N 3.11Å; I170-L172 PolarHBondContact O-N 3.48Å; I170-T173 PolarHBondContact O-N 3.36Å; I170-T173 PolarHBondContact O-OG1 3.14Å; I170-K174 WeakPolarHBondContact O-CB 2.95Å; I170-K174 PolarHBondContact O-N 3.47Å; I170-T181 HydrophobicContact CG2-CG2 3.71Å; I170-A183 HydrophobicContact CD1-CB 3.97Å; I170-N249 WeakPolarHBondContact CG2-O 3.28Å; I170-V250 HydrophobicContact CD1-CG2 3.97Å; I170-V250 HydrophobicContact CG2-CG2 4.09Å
171	P	98.1	Very high	96.8	Very high	12 Å²	12	27 Å²	27	8%	0.078	14%	0.135	C	C	.	.	H	α-helix	trans	-59.4	-31.9	176.1	-23.7	33.5	0	0	0	113	A167 W175 F243 N249	A167-P171 VanDerWaalsContact O-CD 3.26Å; A167-P171 WeakPolarHBondContact O-CD 3.44Å; P171-W175 VanDerWaalsContact O-CB 3.32Å; P171-W175 WeakPolarHBondContact O-CB 3.47Å; P171-W175 PolarHBondContact O-N 2.7Å; P171-F243 HydrophobicContact CB-CE1 4.32Å; P171-F243 HydrophobicContact CG-CE1 4.29Å; P171-N249 HydrophobicContact CG-CB 4.11Å
172	L	96.9	Very high	96.8	Very high	32 Å²	32	27 Å²	27	17%	0.168	14%	0.135	C	C	.	.	H	α-helix	trans	-64.4	-48.3	178.8	-53.3	173.7	0	0	0	110.5	V145 L149 I152 T169 I170 L176	V145-L172 HydrophobicContact CB-CD1 4.23Å; V145-L172 HydrophobicContact CG1-CD1 3.95Å; V145-L172 HydrophobicContact CG1-CD2 4.21Å; V145-L172 HydrophobicContact CG2-CD1 4.39Å; V145-L172 VanDerWaalsContact O-CD1 3.31Å; V145-L172 WeakPolarHBondContact O-CD1 3.28Å; L149-L172 HydrophobicContact CD2-CD2 4.49Å; L149-L172 HydrophobicContact CG-CD1 4.23Å; I152-L172 HydrophobicContact CD1-CB 3.59Å; T169-L172 VanDerWaalsContact O-CB 3.32Å; T169-L172 WeakPolarHBondContact O-CB 3.33Å; T169-L172 PolarHBondContact O-N 3.43Å; I170-L172 PolarHBondContact O-N 3.48Å; L172-L176 HydrophobicContact CB-CD1 4.46Å; L172-L176 WeakPolarHBondContact O-CA 3.46Å; L172-L176 WeakPolarHBondContact O-CB 3.42Å; L172-L176 WeakPolarHBondContact O-CG 3.17Å; L172-L176 PolarHBondContact O-N 3.3Å
173	T	97.4	Very high	96.8	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.012	14%	0.135	C	C	.	.	H	α-helix	trans	-70.2	-41.5	179.3	55.3	0	0	0	0	111.1	I152 Y160 T169 I170 W175 C177 N178 S179	I152-T173 HydrophobicContact CD1-CG2 3.69Å; I152-T173 HydrophobicContact CG1-CG2 3.66Å; Y160-T173 HydrophobicContact CD1-CG2 4.01Å; Y160-T173 WeakPolarHBondContact CD1-OG1 3.34Å; Y160-T173 HydrophobicContact CD2-CG2 3.62Å; Y160-T173 HydrophobicContact CE1-CG2 4.2Å; Y160-T173 HydrophobicContact CE2-CG2 3.8Å; Y160-T173 HydrophobicContact CG-CG2 3.68Å; T169-T173 PolarHBondContact O-N 2.8Å; I170-T173 PolarHBondContact O-N 3.36Å; I170-T173 PolarHBondContact O-OG1 3.14Å; T173-W175 VanDerWaalsContact C-N 3.32Å; T173-W175 PolarHBondContact O-N 3.18Å; T173-C177 WeakPolarHBondContact O-CA 3.3Å; T173-C177 VanDerWaalsContact O-CB 3.23Å; T173-C177 WeakPolarHBondContact O-CB 3.48Å; T173-C177 PolarHBondContact O-N 3.15Å; T173-C177 VanDerWaalsContact O-N 3.07Å; T173-N178 PolarHBondContact O-N 3.2Å; T173-S179 PolarHBondContact O-N 3.32Å
174	K	97.9	Very high	96.9	Very high	45 Å²	45	26.9 Å²	26.9	20%	0.196	14%	0.135	C	C	.	.	H	α-helix	trans	-54.5	-47.9	174.8	-171.2	70	173.9	173.9	0	111.5	I170 N178 S179 T181 D251	I170-K174 WeakPolarHBondContact O-CB 2.95Å; I170-K174 PolarHBondContact O-N 3.47Å; K174-N178 WeakPolarHBondContact O-CA 3.36Å; K174-N178 PolarHBondContact O-N 2.78Å; K174-S179 WeakPolarHBondContact CD-O 3.34Å; K174-T181 HydrophobicContact CB-CG2 3.95Å; K174-T181 HydrophobicContact CD-CG2 3.86Å; K174-D251 IonicContact NZ-OD1 3.08Å; K174-D251 PolarHBondContact NZ-OD1 3.08Å; K174-D251 IonicContact NZ-OD2 2.65Å; K174-D251 PolarHBondContact NZ-OD2 3.31Å
175	W	96.3	Very high	97.1	Very high	119 Å²	119	24.7 Å²	24.7	45%	0.451	12%	0.121	S	C	.	.	H	α-helix	trans	-95.2	-33.9	-168.1	-63.8	8.5	0	0	0	113.2	K19 P171 T173 F243 I248 N249	K19-W175 WeakPolarHBondContact CE-O 3.34Å; K19-W175 PolarHBondContact NZ-O 3.33Å; P171-W175 VanDerWaalsContact O-CB 3.32Å; P171-W175 WeakPolarHBondContact O-CB 3.47Å; P171-W175 PolarHBondContact O-N 2.7Å; T173-W175 VanDerWaalsContact C-N 3.32Å; T173-W175 PolarHBondContact O-N 3.18Å; W175-F243 AromaticContact CH2-CE2 3.89Å; W175-F243 HydrophobicContact CH2-CE2 3.89Å; W175-F243 AromaticContact CH2-CZ 3.44Å; W175-F243 HydrophobicContact CH2-CZ 3.44Å; W175-F243 VanDerWaalsContact CH2-CZ 3.44Å; W175-F243 AromaticContact CZ2-CE2 3.97Å; W175-F243 HydrophobicContact CZ2-CE2 3.97Å; W175-F243 AromaticContact CZ2-CZ 3.63Å; W175-F243 HydrophobicContact CZ2-CZ 3.63Å; W175-F243 HydrophobicContact CZ3-CZ 4.23Å; W175-I248 HydrophobicContact CZ2-CD1 4.43Å; W175-N249 PolarHBondContact NE1-OD1 2.85Å
176	L	95.7	Very high	97.1	Very high	31 Å²	31	25.9 Å²	25.9	16%	0.162	12%	0.123	C	C	.	.	H	α-helix	trans	-87.3	-36.8	-178.9	-58.1	177	0	0	0	112.4	I18 I22 L149 I152 L172	I18-L176 HydrophobicContact CG2-CD2 4.19Å; I22-L176 HydrophobicContact CD1-CB 3.65Å; I22-L176 HydrophobicContact CD1-CD1 4.3Å; I22-L176 HydrophobicContact CD1-CG 4.46Å; L149-L176 HydrophobicContact CD2-CD1 3.55Å; I152-L176 HydrophobicContact CD1-CD1 4.4Å; L172-L176 HydrophobicContact CB-CD1 4.46Å; L172-L176 WeakPolarHBondContact O-CA 3.46Å; L172-L176 WeakPolarHBondContact O-CB 3.42Å; L172-L176 WeakPolarHBondContact O-CG 3.17Å; L172-L176 PolarHBondContact O-N 3.3Å
177	C	95.6	Very high	96.8	Very high	9 Å²	9	28 Å²	28	6%	0.061	13%	0.13	C	C	.	.	S	Bend	trans	-97.8	-10.9	-179.9	-55.4	0	0	0	0	113.5	I22 I152 T173 S179	I22-C177 HydrophobicContact CG2-CB 4.47Å; I152-C177 WeakPolarHBondContact CG2-SG 3.25Å; T173-C177 WeakPolarHBondContact O-CA 3.3Å; T173-C177 VanDerWaalsContact O-CB 3.23Å; T173-C177 WeakPolarHBondContact O-CB 3.48Å; T173-C177 PolarHBondContact O-N 3.15Å; T173-C177 VanDerWaalsContact O-N 3.07Å; C177-S179 WeakPolarHBondContact CB-OG 3.34Å; C177-S179 PolarHBondContact O-N 3.05Å
178	N	96	Very high	96.2	Very high	123 Å²	123	28 Å²	28	66%	0.658	13%	0.131	S	C	*	.			trans	53	35	-165.5	-58.5	-36.1	0	0	0	112	T173 K174	T173-N178 PolarHBondContact O-N 3.2Å; K174-N178 WeakPolarHBondContact O-CA 3.36Å; K174-N178 PolarHBondContact O-N 2.78Å
179	S	98	Very high	95.5	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.014	14%	0.139	C	C	.	.			trans	-69.7	148.4	179.5	-55.3	0	0	0	0	110.8	P157 D158 T173 K174 C177	P157-S179 PolarHBondContact O-OG 3.32Å; D158-S179 CarbonylContact O-C 3.57Å; D158-S179 WeakPolarHBondContact O-CA 3.19Å; D158-S179 WeakPolarHBondContact O-CB 3.47Å; T173-S179 PolarHBondContact O-N 3.32Å; K174-S179 WeakPolarHBondContact CD-O 3.34Å; C177-S179 WeakPolarHBondContact CB-OG 3.34Å; C177-S179 PolarHBondContact O-N 3.05Å
180	Q	98.5	Very high	94.6	Very high	70 Å²	70	29.1 Å²	29.1	33%	0.327	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	147.1	155.6	-67.2	172.5	-56.1	0	0	108.4	D158 V159 Y160 D251 F498	D158-Q180 PolarHBondContact O-N 3.48Å; V159-Q180 CarbonylContact C-O 3.57Å; V159-Q180 VanDerWaalsContact CA-O 3.31Å; V159-Q180 WeakPolarHBondContact CA-O 3.36Å; V159-Q180 HydrophobicContact CG2-CB 4.31Å; Y160-Q180 PolarHBondContact N-O 3.08Å; Q180-D251 WeakPolarHBondContact CA-OD2 3.32Å; Q180-F498 HydrophobicContact CB-CD1 3.59Å; Q180-F498 HydrophobicContact CB-CE1 3.75Å; Q180-F498 HydrophobicContact CB-CG 4.2Å; Q180-F498 HydrophobicContact CB-CZ 4.44Å; Q180-F498 HydrophobicContact CG-CD1 4.05Å; Q180-F498 HydrophobicContact CG-CE1 4.47Å; Q180-F498 PolarHBondContact OE1-O 2.93Å
181	T	98.6	Very high	93.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	134.5	-163.9	51.6	0	0	0	0	112	Y160 I170 K174 N249 V250 D251 V252	Y160-T181 CarbonylContact O-C 3.19Å; Y160-T181 WeakPolarHBondContact O-CA 3.31Å; I170-T181 HydrophobicContact CG2-CG2 3.71Å; K174-T181 HydrophobicContact CB-CG2 3.95Å; K174-T181 HydrophobicContact CD-CG2 3.86Å; T181-N249 WeakPolarHBondContact CB-O 3.3Å; T181-N249 PolarHBondContact OG1-O 3.32Å; T181-V250 WeakPolarHBondContact OG1-CA 3.45Å; T181-D251 PolarHBondContact N-OD2 3.3Å; T181-D251 WeakPolarHBondContact O-CA 3.25Å; T181-D251 VanDerWaalsContact O-CB 3.29Å; T181-D251 WeakPolarHBondContact O-CB 3.25Å; T181-D251 PolarHBondContact O-N 2.99Å; T181-D251 PolarHBondContact OG1-N 2.85Å; T181-D251 VanDerWaalsContact OG1-N 3.12Å; T181-D251 PolarHBondContact OG1-OD2 3.03Å; T181-V252 PolarHBondContact O-N 3.47Å
182	A	98.5	Very high	91.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	158	172.3	0	0	0	0	0	111.5	Y160 I161 D162 V252 M254 M495 F498	Y160-A182 PolarHBondContact O-N 2.89Å; I161-A182 WeakPolarHBondContact CA-O 3.36Å; I161-A182 HydrophobicContact CG1-CB 4.22Å; I161-A182 HydrophobicContact CG2-CB 4.16Å; D162-A182 PolarHBondContact N-O 3.22Å; A182-V252 CarbonylContact C-O 3.57Å; A182-V252 WeakPolarHBondContact CA-O 3.14Å; A182-V252 HydrophobicContact CB-CB 3.98Å; A182-V252 HydrophobicContact CB-CG1 4.37Å; A182-M254 HydrophobicContact CB-CE 4.41Å; A182-M495 HydrophobicContact CB-CE 4.09Å; A182-F498 HydrophobicContact CB-CE2 3.97Å; A182-F498 HydrophobicContact CB-CZ 4.03Å
183	A	98.4	Very high	90.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	131.1	170.8	0	0	0	0	0	109.8	D162 I170 V185 V250 V252 M254 W268	D162-A183 CarbonylContact O-C 3.41Å; D162-A183 WeakPolarHBondContact O-CA 3.26Å; I170-A183 HydrophobicContact CD1-CB 3.97Å; A183-V185 HydrophobicContact CB-CG2 4.21Å; A183-V250 HydrophobicContact CB-CG1 4.25Å; A183-V252 PolarHBondContact N-O 3.35Å; A183-M254 PolarHBondContact O-N 3.5Å; A183-W268 HydrophobicContact CB-CH2 4.04Å; A183-W268 HydrophobicContact CB-CZ3 3.93Å
184	Y	98.3	Very high	89	Confident	1 Å²	1	32.5 Å²	32.5	0%	0.004	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	106.4	164.6	-170.7	-82.4	0	0	0	108.6	V62 D162 H186 M254 N256 L275 P277 F487 W491	V62-Y184 HydrophobicContact CB-CE1 4.35Å; V62-Y184 HydrophobicContact CG1-CD1 3.71Å; V62-Y184 HydrophobicContact CG1-CD2 4.27Å; V62-Y184 HydrophobicContact CG1-CE1 3.7Å; V62-Y184 HydrophobicContact CG1-CE2 4.25Å; V62-Y184 HydrophobicContact CG1-CG 4Å; V62-Y184 HydrophobicContact CG2-CE1 3.89Å; D162-Y184 PolarHBondContact O-N 3.41Å; Y184-H186 AromaticContact CD1-CE1 3.84Å; Y184-H186 AromaticContact CD1-NE2 3.68Å; Y184-H186 AromaticContact CE1-CE1 3.52Å; Y184-H186 AromaticContact CE1-ND1 3.85Å; Y184-H186 AromaticContact CE1-NE2 3.86Å; Y184-M254 WeakPolarHBondContact CA-O 3.33Å; Y184-M254 HydrophobicContact CD2-CB 3.75Å; Y184-M254 HydrophobicContact CD2-SD 4.44Å; Y184-M254 HydrophobicContact CE2-CB 4.38Å; Y184-N256 HydrophobicContact CE1-CB 3.96Å; Y184-N256 WeakPolarHBondContact OH-CA 3.37Å; Y184-N256 WeakPolarHBondContact OH-CB 3.39Å; Y184-L275 HydrophobicContact CD2-CD2 4.38Å; Y184-L275 HydrophobicContact CE2-CB 4.07Å; Y184-L275 HydrophobicContact CE2-CD2 4.07Å; Y184-L275 HydrophobicContact CE2-CG 4.07Å; Y184-L275 VanDerWaalsContact CE2-O 3.27Å; Y184-L275 WeakPolarHBondContact CE2-O 3.47Å; Y184-L275 PolarHBondContact OH-O 3.39Å; Y184-P277 WeakPolarHBondContact OH-CA 3.44Å; Y184-F487 AromaticContact CE2-CE2 3.92Å; Y184-F487 HydrophobicContact CE2-CE2 3.92Å; Y184-W491 HydrophobicContact CD2-CE3 4.34Å; Y184-W491 AromaticContact CD2-CZ3 3.79Å; Y184-W491 HydrophobicContact CD2-CZ3 3.79Å; Y184-W491 HydrophobicContact CG-CZ3 4.22Å
185	V	97.1	Very high	87.6	Confident	3 Å²	3	32 Å²	32	2%	0.018	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	117.8	-172.5	-173.1	0	0	0	0	110	A183 Y187 M254 T255 N256 T260 I264 W268	A183-V185 HydrophobicContact CB-CG2 4.21Å; V185-Y187 WeakPolarHBondContact CG1-O 3.4Å; V185-M254 PolarHBondContact N-O 3Å; V185-T255 HydrophobicContact CB-CG2 4.3Å; V185-N256 PolarHBondContact O-N 3.3Å; V185-N256 VanDerWaalsContact O-N 3.16Å; V185-N256 PolarHBondContact O-OD1 3.43Å; V185-T260 HydrophobicContact CB-CG2 4.46Å; V185-T260 HydrophobicContact CG1-CG2 4.05Å; V185-I264 HydrophobicContact CB-CD1 4.35Å; V185-I264 HydrophobicContact CB-CG1 4.25Å; V185-I264 HydrophobicContact CG1-CD1 3.69Å; V185-I264 HydrophobicContact CG1-CG1 3.89Å; V185-I264 HydrophobicContact CG2-CD1 4.22Å; V185-I264 HydrophobicContact CG2-CG1 4.37Å; V185-W268 HydrophobicContact CG2-CH2 3.51Å; V185-W268 HydrophobicContact CG2-CZ2 4.38Å; V185-W268 HydrophobicContact CG2-CZ3 3.72Å
186	H	93.8	Very high	86.1	Confident	42 Å²	42	32.1 Å²	32.1	19%	0.194	17%	0.165	C	C	.	.	S	Bend	trans	-80.5	-34.7	170.4	-63.6	-85.4	0	0	0	113	Y184 N256 T260 H396	Y184-H186 AromaticContact CD1-CE1 3.84Å; Y184-H186 AromaticContact CD1-NE2 3.68Å; Y184-H186 AromaticContact CE1-CE1 3.52Å; Y184-H186 AromaticContact CE1-ND1 3.85Å; Y184-H186 AromaticContact CE1-NE2 3.86Å; H186-N256 PolarHBondContact O-ND2 3.01Å; H186-N256 PolarHBondContact O-OD1 3.49Å; H186-T260 PolarHBondContact O-OG1 2.78Å; H186-H396 WeakPolarHBondContact O-CB 3.28Å
187	Y	87.4	Confident	84.7	Confident	73 Å²	73	36.4 Å²	36.4	29%	0.286	18%	0.18	S	C	.	.	S	Bend	trans	-163.1	147	174	-176.3	-111	0	0	0	109.9	V185 S191 W259 H396	V185-Y187 WeakPolarHBondContact CG1-O 3.4Å; Y187-S191 WeakPolarHBondContact OH-CB 3.45Å; Y187-S191 PolarHBondContact OH-OG 2.63Å; Y187-W259 AromaticContact CD2-CH2 3.94Å; Y187-W259 HydrophobicContact CD2-CH2 3.94Å; Y187-W259 AromaticContact CD2-CZ3 3.62Å; Y187-W259 HydrophobicContact CD2-CZ3 3.62Å; Y187-W259 AromaticContact CE2-CH2 3.5Å; Y187-W259 HydrophobicContact CE2-CH2 3.5Å; Y187-W259 VanDerWaalsContact CE2-CH2 3.5Å; Y187-W259 AromaticContact CE2-CZ3 3.66Å; Y187-W259 HydrophobicContact CE2-CZ3 3.66Å; Y187-H396 WeakPolarHBondContact CB-CE1 3.4Å; Y187-H396 WeakPolarHBondContact CB-ND1 3.44Å; Y187-H396 AromaticContact CD2-CD2 3.49Å; Y187-H396 VanDerWaalsContact CD2-CD2 3.49Å; Y187-H396 WeakPolarHBondContact CD2-CD2 3.08Å; Y187-H396 AromaticContact CD2-CE1 3.66Å; Y187-H396 AromaticContact CD2-CG 3.97Å; Y187-H396 AromaticContact CD2-NE2 3.26Å; Y187-H396 VanDerWaalsContact CD2-NE2 3.26Å; Y187-H396 WeakPolarHBondContact CD2-NE2 3.49Å; Y187-H396 AromaticContact CE2-NE2 3.8Å; Y187-H396 AromaticContact CG-CE1 3.41Å; Y187-H396 VanDerWaalsContact CG-CE1 3.41Å; Y187-H396 AromaticContact CG-ND1 3.94Å; Y187-H396 AromaticContact CG-NE2 3.48Å
188	P	84.9	Confident	83.2	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.006	18%	0.178	C	C	.	.			trans	-63.2	138.7	172	27.4	-40.5	0	0	0	113.2	I190 Y241 H263 I264 L267	P188-I190 WeakPolarHBondContact CB-O 3.37Å; P188-I190 PolarHBondContact O-N 3.47Å; P188-Y241 WeakPolarHBondContact CA-OH 3.36Å; P188-Y241 HydrophobicContact CB-CE1 4.11Å; P188-H263 HydrophobicContact CG-CB 3.98Å; P188-I264 HydrophobicContact CB-CD1 4.05Å; P188-L267 HydrophobicContact CB-CD1 3.69Å; P188-L267 HydrophobicContact CG-CD1 4.3Å
189	T	82	Confident	81.6	Confident	46 Å²	46	31.7 Å²	31.7	28%	0.282	16%	0.156	S	C	.	.	S	Bend	trans	-56.3	-27.4	175.3	-44.1	0	0	0	0	112.8	G165 F237 Y241	G165-T189 PolarHBondContact O-OG1 3.45Å; T189-F237 HydrophobicContact CG2-CE1 4.45Å; T189-F237 HydrophobicContact CG2-CZ 4.3Å; T189-Y241 PolarHBondContact N-OH 2.76Å; T189-Y241 VanDerWaalsContact N-OH 3.15Å; T189-Y241 WeakPolarHBondContact OG1-CE2 3.35Å
190	I	78.5	Confident	79.8	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-143.7	138.8	175.3	-172.1	166.5	0	0	0	110	L137 P188 M194 Y234 F237 I238 Y241 L267	L137-I190 HydrophobicContact CD1-CD1 4.3Å; P188-I190 WeakPolarHBondContact CB-O 3.37Å; P188-I190 PolarHBondContact O-N 3.47Å; I190-M194 HydrophobicContact CG1-SD 3.98Å; I190-Y234 HydrophobicContact CD1-CD1 3.57Å; I190-Y234 HydrophobicContact CD1-CE1 4.02Å; I190-Y234 HydrophobicContact CD1-CG 4.47Å; I190-Y234 HydrophobicContact CG1-CD1 4.32Å; I190-Y234 HydrophobicContact CG1-CE1 4.5Å; I190-F237 HydrophobicContact CB-CD1 4.01Å; I190-F237 HydrophobicContact CB-CE1 3.88Å; I190-F237 HydrophobicContact CD1-CB 4.43Å; I190-F237 HydrophobicContact CD1-CD1 3.48Å; I190-F237 VanDerWaalsContact CD1-CD1 3.48Å; I190-F237 HydrophobicContact CD1-CE1 4.18Å; I190-F237 HydrophobicContact CD1-CG 4.35Å; I190-F237 HydrophobicContact CG1-CD1 4.36Å; I190-F237 HydrophobicContact CG2-CD1 3.82Å; I190-F237 HydrophobicContact CG2-CE1 3.79Å; I190-I238 HydrophobicContact CD1-CD1 4.27Å; I190-I238 HydrophobicContact CD1-CG1 3.64Å; I190-I238 HydrophobicContact CG1-CG1 4.1Å; I190-I238 HydrophobicContact CG2-CG1 4.15Å; I190-Y241 HydrophobicContact CG2-CD1 3.64Å; I190-Y241 HydrophobicContact CG2-CE1 4.26Å; I190-Y241 HydrophobicContact CG2-CG 3.9Å; I190-L267 WeakPolarHBondContact O-CD1 3.34Å
191	S	72.4	Confident	78.1	Confident	2 Å²	2	31.5 Å²	31.5	1%	0.014	16%	0.162	C	C	.	.			trans	-112.8	155.1	176	64.2	0	0	0	0	112.7	Y187 V193 M194	Y187-S191 WeakPolarHBondContact OH-CB 3.45Å; Y187-S191 PolarHBondContact OH-OG 2.63Å; S191-V193 PolarHBondContact O-N 2.86Å; S191-M194 WeakPolarHBondContact O-CB 3.36Å; S191-M194 PolarHBondContact O-N 3.1Å
192	S	66.4	Low	76.2	Confident	38 Å²	38	33.7 Å²	33.7	27%	0.266	17%	0.174	S	C	.	.	H	α-helix	trans	-58.4	-30	172.3	51.2	0	0	0	0	112.3	M194 L195 Q196	S192-M194 VanDerWaalsContact C-N 3.29Å; S192-M194 PolarHBondContact O-N 3.38Å; S192-L195 WeakPolarHBondContact O-CB 3.41Å; S192-L195 PolarHBondContact O-N 3.34Å; S192-L195 VanDerWaalsContact O-N 3.12Å; S192-Q196 WeakPolarHBondContact O-CG 3.19Å; S192-Q196 PolarHBondContact O-N 3.2Å
193	V	66.3	Low	74.6	Confident	47 Å²	47	41.6 Å²	41.6	29%	0.285	21%	0.209	S	C	.	.	H	α-helix	trans	-60.7	-38.1	174.7	-178.6	0	0	0	0	111.1	S191 L195 Q196 R197	S191-V193 PolarHBondContact O-N 2.86Å; V193-L195 VanDerWaalsContact C-N 3.33Å; V193-L195 PolarHBondContact O-N 3.27Å; V193-Q196 PolarHBondContact O-N 2.94Å; V193-R197 HydrophobicContact CG1-CG 4.42Å; V193-R197 WeakPolarHBondContact O-CB 3.43Å; V193-R197 WeakPolarHBondContact O-CG 3.44Å; V193-R197 PolarHBondContact O-N 3.29Å
194	M	68	Low	72.9	Confident	30 Å²	30	43.2 Å²	43.2	15%	0.148	22%	0.22	C	C	.	.	H	α-helix	trans	-63.2	-40	174.8	-61	174.7	85.4	0	0	111.8	L137 I190 S191 S192 V198 Y234	L137-M194 HydrophobicContact CD1-CE 4.2Å; I190-M194 HydrophobicContact CG1-SD 3.98Å; S191-M194 WeakPolarHBondContact O-CB 3.36Å; S191-M194 PolarHBondContact O-N 3.1Å; S192-M194 VanDerWaalsContact C-N 3.29Å; S192-M194 PolarHBondContact O-N 3.38Å; M194-V198 WeakPolarHBondContact O-CG2 3.5Å; M194-V198 PolarHBondContact O-N 3.24Å; M194-Y234 HydrophobicContact CB-CD1 4.11Å; M194-Y234 HydrophobicContact CB-CE1 3.76Å; M194-Y234 HydrophobicContact CE-CE1 3.8Å; M194-Y234 HydrophobicContact SD-CE1 4.32Å
195	L	67.9	Low	71	Confident	36 Å²	36	53.7 Å²	53.7	19%	0.188	27%	0.265	C	S	.	.	H	α-helix	trans	-67.5	-44.7	175.7	-174	72.1	0	0	0	111.4	S192 V193 R197 V198 S199 F231 I238	S192-L195 WeakPolarHBondContact O-CB 3.41Å; S192-L195 PolarHBondContact O-N 3.34Å; S192-L195 VanDerWaalsContact O-N 3.12Å; V193-L195 VanDerWaalsContact C-N 3.33Å; V193-L195 PolarHBondContact O-N 3.27Å; L195-R197 VanDerWaalsContact C-N 3.3Å; L195-R197 PolarHBondContact O-N 3.43Å; L195-V198 PolarHBondContact O-N 3.08Å; L195-V198 VanDerWaalsContact O-N 3.16Å; L195-S199 WeakPolarHBondContact O-CB 3.39Å; L195-S199 PolarHBondContact O-N 3.47Å; L195-F231 HydrophobicContact CD1-CD2 3.88Å; L195-F231 HydrophobicContact CD1-CE2 3.71Å; L195-F231 HydrophobicContact CD1-CZ 4.39Å; L195-F231 HydrophobicContact CG-CE2 4.1Å; L195-I238 HydrophobicContact CB-CD1 3.78Å; L195-I238 HydrophobicContact CD1-CD1 4.33Å; L195-I238 HydrophobicContact CD2-CD1 3.85Å; L195-I238 HydrophobicContact CG-CD1 4.2Å
196	Q	66.4	Low	69.2	Low	120 Å²	120	57.9 Å²	57.9	56%	0.561	29%	0.288	S	S	*	.	H	α-helix	trans	-57.9	-43.3	176.6	-75.4	175.2	-12.8	0	0	111.3	S192 V193 V198 S199 S200	S192-Q196 WeakPolarHBondContact O-CG 3.19Å; S192-Q196 PolarHBondContact O-N 3.2Å; V193-Q196 PolarHBondContact O-N 2.94Å; Q196-V198 PolarHBondContact O-N 3.31Å; Q196-S199 WeakPolarHBondContact CA-OG 3.31Å; Q196-S199 PolarHBondContact O-N 3.06Å; Q196-S199 PolarHBondContact O-OG 3.41Å; Q196-S200 PolarHBondContact O-N 2.88Å; Q196-S200 PolarHBondContact O-OG 3.45Å
197	R	66.3	Low	67.3	Low	122 Å²	122	60 Å²	60	46%	0.46	30%	0.296	S	S	.	.	H	α-helix	trans	-61.5	-38	176	-72.6	171.2	-174.1	167.3	6.5	113.3	V193 L195 S200 S201	V193-R197 HydrophobicContact CG1-CG 4.42Å; V193-R197 WeakPolarHBondContact O-CB 3.43Å; V193-R197 WeakPolarHBondContact O-CG 3.44Å; V193-R197 PolarHBondContact O-N 3.29Å; L195-R197 VanDerWaalsContact C-N 3.3Å; L195-R197 PolarHBondContact O-N 3.43Å; R197-S200 PolarHBondContact O-OG 3.05Å; R197-S201 PolarHBondContact O-N 3.01Å
198	V	63.4	Low	65.7	Low	5 Å²	5	63.4 Å²	63.4	3%	0.03	32%	0.32	C	S	.	.	H	α-helix	trans	-72.9	-37.8	174.9	178.3	0	0	0	0	110.6	M194 L195 Q196 S201 L202 T227 K230 F231 Y234	M194-V198 WeakPolarHBondContact O-CG2 3.5Å; M194-V198 PolarHBondContact O-N 3.24Å; L195-V198 PolarHBondContact O-N 3.08Å; L195-V198 VanDerWaalsContact O-N 3.16Å; Q196-V198 PolarHBondContact O-N 3.31Å; V198-S201 WeakPolarHBondContact O-CB 3.45Å; V198-S201 PolarHBondContact O-N 2.88Å; V198-L202 PolarHBondContact O-N 2.89Å; V198-T227 HydrophobicContact CG1-CG2 4.23Å; V198-K230 HydrophobicContact CG1-CB 4.39Å; V198-K230 HydrophobicContact CG1-CG 4.2Å; V198-K230 HydrophobicContact CG2-CD 4.25Å; V198-K230 HydrophobicContact CG2-CG 4.28Å; V198-F231 HydrophobicContact CG1-CB 4Å; V198-F231 HydrophobicContact CG1-CD2 4.42Å; V198-Y234 HydrophobicContact CG2-CD2 4.24Å; V198-Y234 HydrophobicContact CG2-CE2 4.31Å
199	S	63.3	Low	64	Low	27 Å²	27	70.8 Å²	70.8	19%	0.189	35%	0.354	C	S	.	.	H	α-helix	trans	-66.1	-40.6	177.3	77.8	0	0	0	0	112.6	L195 Q196 S201 L202 F203	L195-S199 WeakPolarHBondContact O-CB 3.39Å; L195-S199 PolarHBondContact O-N 3.47Å; Q196-S199 WeakPolarHBondContact CA-OG 3.31Å; Q196-S199 PolarHBondContact O-N 3.06Å; Q196-S199 PolarHBondContact O-OG 3.41Å; S199-S201 PolarHBondContact O-N 3.44Å; S199-L202 WeakPolarHBondContact O-CA 3.49Å; S199-L202 WeakPolarHBondContact O-CB 3.48Å; S199-L202 PolarHBondContact O-N 2.86Å; S199-F203 WeakPolarHBondContact O-CD2 3.25Å; S199-F203 PolarHBondContact O-N 2.98Å
200	S	60.4	Low	62.4	Low	56 Å²	56	69.3 Å²	69.3	39%	0.392	35%	0.345	S	S	.	.	H	α-helix	trans	-63.5	-33.7	176.1	61.5	0	0	0	0	111.3	Q196 R197 L202 F203 S204	Q196-S200 PolarHBondContact O-N 2.88Å; Q196-S200 PolarHBondContact O-OG 3.45Å; R197-S200 PolarHBondContact O-OG 3.05Å; S200-L202 VanDerWaalsContact C-N 3.3Å; S200-L202 PolarHBondContact O-N 3.05Å; S200-F203 PolarHBondContact O-N 2.85Å; S200-S204 WeakPolarHBondContact O-CB 3.22Å; S200-S204 PolarHBondContact O-N 3.01Å
201	S	60.8	Low	61	Low	12 Å²	12	74.8 Å²	74.8	8%	0.084	38%	0.378	C	S	.	.	H	α-helix	trans	-66.3	-27.3	170.9	-168.2	0	0	0	0	114	R197 V198 S199	R197-S201 PolarHBondContact O-N 3.01Å; V198-S201 WeakPolarHBondContact O-CB 3.45Å; V198-S201 PolarHBondContact O-N 2.88Å; S199-S201 PolarHBondContact O-N 3.44Å
202	L	60.3	Low	59.5	Low	47 Å²	47	79.8 Å²	79.8	25%	0.246	40%	0.404	C	S	.	.	H	α-helix	trans	-77.4	-40.6	174.5	-75.2	172.9	0	0	0	112.2	V198 S199 S200 T227 F231	V198-L202 PolarHBondContact O-N 2.89Å; S199-L202 WeakPolarHBondContact O-CA 3.49Å; S199-L202 WeakPolarHBondContact O-CB 3.48Å; S199-L202 PolarHBondContact O-N 2.86Å; S200-L202 VanDerWaalsContact C-N 3.3Å; S200-L202 PolarHBondContact O-N 3.05Å; L202-T227 HydrophobicContact CB-CG2 4.48Å; L202-T227 HydrophobicContact CD1-CG2 4.45Å; L202-T227 VanDerWaalsContact CD2-CB 3.5Å; L202-T227 HydrophobicContact CD2-CG2 3.34Å; L202-T227 HydrophobicContact CG-CG2 3.45Å; L202-T227 VanDerWaalsContact CG-CG2 3.45Å; L202-F231 HydrophobicContact CD1-CB 3.65Å; L202-F231 HydrophobicContact CD1-CD1 4.41Å; L202-F231 HydrophobicContact CD1-CD2 3.95Å; L202-F231 HydrophobicContact CD1-CG 3.74Å
203	F	65.1	Low	58.7	Low	166 Å²	166	80.9 Å²	80.9	73%	0.728	41%	0.409	S	S	*	.	H	α-helix	trans	-94.7	-17.1	-172.4	-61.6	-64.2	0	0	0	114.1	S199 S200 K205	S199-F203 WeakPolarHBondContact O-CD2 3.25Å; S199-F203 PolarHBondContact O-N 2.98Å; S200-F203 PolarHBondContact O-N 2.85Å; F203-K205 PolarHBondContact O-N 3.4Å
204	S	62.6	Low	57.7	Low	33 Å²	33	89 Å²	89	23%	0.231	44%	0.436	C	S	.	.			trans	-68.9	125.7	177.7	-176.9	0	0	0	0	111.3	S200 N206	S200-S204 WeakPolarHBondContact O-CB 3.22Å; S200-S204 PolarHBondContact O-N 3.01Å; S204-N206 VanDerWaalsContact C-N 3.28Å; S204-N206 PolarHBondContact OG-N 3.08Å; S204-N206 VanDerWaalsContact OG-N 3.15Å; S204-N206 PolarHBondContact OG-O 3.2Å
205	K	56.9	Low	56.8	Low	221 Å²	221	91.5 Å²	91.5	96%	0.961	45%	0.45	S	S	*	.	S	Bend	trans	-70.3	-26.3	169.9	-70.7	-176.5	179.3	178.3	0	111.7	F203	F203-K205 PolarHBondContact O-N 3.4Å
206	N	59.5	Low	56.2	Low	91 Å²	91	90.5 Å²	90.5	49%	0.487	45%	0.445	S	S	.	.			trans	-113.3	103.1	-177.7	-164.8	-7.3	0	0	0	111.2	S204 N208 E209	S204-N206 VanDerWaalsContact C-N 3.28Å; S204-N206 PolarHBondContact OG-N 3.08Å; S204-N206 VanDerWaalsContact OG-N 3.15Å; S204-N206 PolarHBondContact OG-O 3.2Å; N206-N208 PolarHBondContact O-N 3.2Å; N206-N208 VanDerWaalsContact O-N 3.15Å; N206-N208 PolarHBondContact OD1-N 3Å; N206-E209 PolarHBondContact O-N 2.91Å
207	K	53.6	Low	55.8	Low	87 Å²	87	87.1 Å²	87.1	38%	0.378	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-64	-19.4	-176.4	-74.8	179.8	173.1	171.9	0	114.2	E209 N222	K207-E209 VanDerWaalsContact C-N 3.27Å; K207-E209 PolarHBondContact O-N 3.22Å; K207-N222 PolarHBondContact NZ-O 3.38Å
208	N	53.8	Low	55.3	Low	145 Å²	145	86.5 Å²	86.5	78%	0.775	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-73.9	-16.4	179.2	-69.2	-9	0	0	0	113.3	N206 V210	N206-N208 PolarHBondContact O-N 3.2Å; N206-N208 VanDerWaalsContact O-N 3.15Å; N206-N208 PolarHBondContact OD1-N 3Å; N208-V210 VanDerWaalsContact C-N 3.33Å
209	E	49.1	Very low	55.1	Low	155 Å²	155	92.9 Å²	92.9	72%	0.724	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-84.4	-8.2	-179.5	-152.8	174.5	-173.9	0	0	112.8	N206 K207	N206-E209 PolarHBondContact O-N 2.91Å; K207-E209 VanDerWaalsContact C-N 3.27Å; K207-E209 PolarHBondContact O-N 3.22Å
210	V	50	Low	54.8	Low	15 Å²	15	92 Å²	92	9%	0.091	45%	0.453	C	S	.	.	S	Bend	trans	-90.3	112.9	-177.4	-175.4	0	0	0	0	110.3	N208 L212	N208-V210 VanDerWaalsContact C-N 3.33Å; V210-L212 PolarHBondContact O-N 3.11Å
211	V	49.5	Very low	54.6	Low	116 Å²	116	90.6 Å²	90.6	70%	0.703	44%	0.439	S	S	*	.			trans	-58.3	125.2	179.9	-177.2	0	0	0	0	112	T213	V211-T213 HydrophobicContact CG1-CG2 4.24Å
212	L	40.3	Very low	54.7	Low	106 Å²	106	93.7 Å²	93.7	56%	0.555	45%	0.454	S	S	*	.			trans	-67.8	132.5	169.7	-71.6	170.4	0	0	0	109.9	V210	V210-L212 PolarHBondContact O-N 3.11Å
213	T	48.7	Very low	55.2	Low	61 Å²	61	94.2 Å²	94.2	37%	0.374	46%	0.458	S	S	.	.	B	Isolated β-bridge	trans	-141.2	163.4	173.2	54.6	0	0	0	0	110.7	V211 N215 N216	V211-T213 HydrophobicContact CG1-CG2 4.24Å; T213-N215 PolarHBondContact O-N 2.88Å; T213-N216 PolarHBondContact O-N 2.7Å
214	Y	45	Very low	55.6	Low	218 Å²	218	96 Å²	96	86%	0.855	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.2	-33.4	-177.1	-165	-96.7	0	0	0	114.4
215	N	50.8	Low	56.6	Low	82 Å²	82	99.9 Å²	99.9	44%	0.439	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-1.4	-176.7	-71.2	-19.4	0	0	0	114.7	T213 P217 K230	T213-N215 PolarHBondContact O-N 2.88Å; N215-P217 WeakPolarHBondContact O-CD 3.39Å; N215-K230 PolarHBondContact O-NZ 3.28Å
216	N	54.8	Low	57.6	Low	15 Å²	15	93.5 Å²	93.5	8%	0.08	45%	0.449	C	S	.	.	B	Isolated β-bridge	trans	-120.4	80.7	178.2	-157.6	28.6	0	0	0	111.8	T213 K230	T213-N216 PolarHBondContact O-N 2.7Å; N216-K230 PolarHBondContact OD1-NZ 3.16Å
217	P	58.1	Low	58.4	Low	50 Å²	50	89.3 Å²	89.3	33%	0.325	43%	0.426	S	S	.	.			trans	-67.9	150.9	-177.1	30.6	-35.9	0	0	0	110.8	N215 W219 V220 R221	N215-P217 WeakPolarHBondContact O-CD 3.39Å; P217-W219 VanDerWaalsContact C-N 3.26Å; P217-W219 HydrophobicContact CG-CZ2 4.17Å; P217-W219 VanDerWaalsContact CG-NE1 3.34Å; P217-W219 PolarHBondContact O-N 2.86Å; P217-V220 HydrophobicContact CG-CB 4.38Å; P217-V220 HydrophobicContact CG-CG2 3.85Å; P217-V220 PolarHBondContact O-N 2.95Å; P217-R221 PolarHBondContact O-N 3Å
218	E	56	Low	59.6	Low	108 Å²	108	88.1 Å²	88.1	51%	0.505	43%	0.429	S	S	.	.	H	α-helix	trans	-56.8	-36	-173.7	179.9	163.4	-145.2	0	0	113.8	V220 R221 N222	E218-V220 VanDerWaalsContact C-N 3.3Å; E218-V220 PolarHBondContact O-N 3.32Å; E218-R221 WeakPolarHBondContact O-CB 3.42Å; E218-R221 PolarHBondContact O-N 2.99Å; E218-R221 IonicContact OE1-NH2 2.71Å; E218-R221 PolarHBondContact OE1-NH2 3.15Å; E218-N222 WeakPolarHBondContact CG-ND2 3.31Å; E218-N222 WeakPolarHBondContact O-CB 3.46Å; E218-N222 VanDerWaalsContact O-CG 3.25Å; E218-N222 PolarHBondContact O-N 3.13Å
219	W	58.5	Low	61.2	Low	139 Å²	139	85 Å²	85	53%	0.527	41%	0.412	S	S	.	.	H	α-helix	trans	-65.6	-29.7	178.9	65.5	-95.2	0	0	0	113.3	L134 P217 F226	L134-W219 HydrophobicContact CD2-CH2 4.2Å; L134-W219 HydrophobicContact CD2-CZ2 4.17Å; P217-W219 VanDerWaalsContact C-N 3.26Å; P217-W219 HydrophobicContact CG-CZ2 4.17Å; P217-W219 VanDerWaalsContact CG-NE1 3.34Å; P217-W219 PolarHBondContact O-N 2.86Å; W219-F226 HydrophobicContact CE3-CD2 4.08Å; W219-F226 HydrophobicContact CE3-CE2 4.44Å; W219-F226 HydrophobicContact CE3-CG 4.26Å; W219-F226 HydrophobicContact CZ3-CB 4.39Å; W219-F226 AromaticContact CZ3-CD1 3.93Å; W219-F226 HydrophobicContact CZ3-CD1 3.93Å; W219-F226 HydrophobicContact CZ3-CD2 4.1Å; W219-F226 HydrophobicContact CZ3-CE1 4.22Å; W219-F226 HydrophobicContact CZ3-CE2 4.42Å; W219-F226 AromaticContact CZ3-CG 3.89Å; W219-F226 HydrophobicContact CZ3-CG 3.89Å; W219-F226 HydrophobicContact CZ3-CZ 4.48Å
220	V	57.3	Low	62.8	Low	8 Å²	8	78.6 Å²	78.6	5%	0.048	38%	0.382	C	S	.	.	H	α-helix	trans	-73.3	-46.5	173.1	175	0	0	0	0	109.9	P217 E218 N222 N223 F226 T227 K230	P217-V220 HydrophobicContact CG-CB 4.38Å; P217-V220 HydrophobicContact CG-CG2 3.85Å; P217-V220 PolarHBondContact O-N 2.95Å; E218-V220 VanDerWaalsContact C-N 3.3Å; E218-V220 PolarHBondContact O-N 3.32Å; V220-N222 PolarHBondContact O-N 3.13Å; V220-N223 PolarHBondContact O-N 2.9Å; V220-N223 VanDerWaalsContact O-O 3.04Å; V220-F226 HydrophobicContact CG1-CB 4.23Å; V220-F226 HydrophobicContact CG2-CB 4.5Å; V220-T227 PolarHBondContact O-OG1 2.97Å; V220-K230 HydrophobicContact CG1-CB 4.29Å; V220-K230 HydrophobicContact CG1-CD 3.7Å
221	R	55	Low	64.4	Low	28 Å²	28	81 Å²	81	11%	0.106	39%	0.391	C	S	.	.	H	α-helix	trans	-56.7	-39.1	177.8	-179.8	-175	69.2	174.2	-2.1	112.1	P217 E218 N223	P217-R221 PolarHBondContact O-N 3Å; E218-R221 WeakPolarHBondContact O-CB 3.42Å; E218-R221 PolarHBondContact O-N 2.99Å; E218-R221 IonicContact OE1-NH2 2.71Å; E218-R221 PolarHBondContact OE1-NH2 3.15Å; R221-N223 VanDerWaalsContact C-N 3.27Å; R221-N223 PolarHBondContact O-N 3.41Å
222	N	64.1	Low	66.2	Low	76 Å²	76	80.2 Å²	80.2	41%	0.406	38%	0.382	S	S	.	.	H	α-helix	trans	-76.3	-15.2	-173.5	-70.7	-10.9	0	0	0	113.2	K207 E218 V220	K207-N222 PolarHBondContact NZ-O 3.38Å; E218-N222 WeakPolarHBondContact CG-ND2 3.31Å; E218-N222 WeakPolarHBondContact O-CB 3.46Å; E218-N222 VanDerWaalsContact O-CG 3.25Å; E218-N222 PolarHBondContact O-N 3.13Å; V220-N222 PolarHBondContact O-N 3.13Å
223	N	71.3	Confident	68.6	Low	58 Å²	58	76.6 Å²	76.6	31%	0.31	36%	0.361	S	S	.	.			trans	-121.1	121.7	-175.9	-169.8	-31.8	0	0	0	112.3	V220 R221 I225 F226 T227	V220-N223 PolarHBondContact O-N 2.9Å; V220-N223 VanDerWaalsContact O-O 3.04Å; R221-N223 VanDerWaalsContact C-N 3.27Å; R221-N223 PolarHBondContact O-N 3.41Å; N223-I225 VanDerWaalsContact C-N 3.31Å; N223-I225 PolarHBondContact O-N 3.26Å; N223-I225 WeakPolarHBondContact OD1-CB 3.33Å; N223-I225 PolarHBondContact OD1-N 3.18Å; N223-F226 HydrophobicContact CB-CB 4.26Å; N223-F226 HydrophobicContact CB-CD2 3.61Å; N223-F226 HydrophobicContact CB-CE2 4.46Å; N223-F226 HydrophobicContact CB-CG 4.37Å; N223-F226 WeakPolarHBondContact ND2-CD2 3.5Å; N223-F226 PolarHBondContact O-N 3.36Å; N223-T227 PolarHBondContact O-N 3.03Å; N223-T227 PolarHBondContact O-OG1 3.37Å
224	R	73.2	Confident	70.4	Confident	204 Å²	204	74.3 Å²	74.3	77%	0.77	35%	0.346	S	S	*	.	H	α-helix	trans	-59.5	-38.9	179.1	-74.4	-174.8	172.6	177.9	-0.6	112.5	T227 S228	R224-T227 PolarHBondContact O-N 2.96Å; R224-S228 WeakPolarHBondContact O-CB 3.28Å; R224-S228 PolarHBondContact O-N 3.16Å; R224-S228 PolarHBondContact O-OG 3.21Å; R224-S228 VanDerWaalsContact O-OG 3.08Å
225	I	82.3	Confident	72.5	Confident	115 Å²	115	67.1 Å²	67.1	59%	0.59	32%	0.32	S	S	*	.	H	α-helix	trans	-63	-49	179.4	-61.4	172.2	0	0	0	110.1	N223 T227 S228 I229	N223-I225 VanDerWaalsContact C-N 3.31Å; N223-I225 PolarHBondContact O-N 3.26Å; N223-I225 WeakPolarHBondContact OD1-CB 3.33Å; N223-I225 PolarHBondContact OD1-N 3.18Å; I225-T227 VanDerWaalsContact C-N 3.33Å; I225-T227 PolarHBondContact O-N 2.84Å; I225-S228 PolarHBondContact O-N 3.37Å; I225-I229 HydrophobicContact CG2-CD1 3.94Å; I225-I229 WeakPolarHBondContact O-CG1 3.12Å; I225-I229 PolarHBondContact O-N 2.94Å
226	F	77.8	Confident	74.4	Confident	86 Å²	86	67.8 Å²	67.8	38%	0.377	32%	0.323	S	S	.	.	H	α-helix	trans	-67.2	-34.8	179	-70.1	-56.4	0	0	0	112.4	W219 V220 N223 I229 K230	W219-F226 HydrophobicContact CE3-CD2 4.08Å; W219-F226 HydrophobicContact CE3-CE2 4.44Å; W219-F226 HydrophobicContact CE3-CG 4.26Å; W219-F226 HydrophobicContact CZ3-CB 4.39Å; W219-F226 AromaticContact CZ3-CD1 3.93Å; W219-F226 HydrophobicContact CZ3-CD1 3.93Å; W219-F226 HydrophobicContact CZ3-CD2 4.1Å; W219-F226 HydrophobicContact CZ3-CE1 4.22Å; W219-F226 HydrophobicContact CZ3-CE2 4.42Å; W219-F226 AromaticContact CZ3-CG 3.89Å; W219-F226 HydrophobicContact CZ3-CG 3.89Å; W219-F226 HydrophobicContact CZ3-CZ 4.48Å; V220-F226 HydrophobicContact CG1-CB 4.23Å; V220-F226 HydrophobicContact CG2-CB 4.5Å; N223-F226 HydrophobicContact CB-CB 4.26Å; N223-F226 HydrophobicContact CB-CD2 3.61Å; N223-F226 HydrophobicContact CB-CE2 4.46Å; N223-F226 HydrophobicContact CB-CG 4.37Å; N223-F226 WeakPolarHBondContact ND2-CD2 3.5Å; N223-F226 PolarHBondContact O-N 3.36Å; F226-I229 HydrophobicContact CD1-CD1 4.37Å; F226-K230 VanDerWaalsContact O-CB 3.26Å; F226-K230 WeakPolarHBondContact O-CB 3.18Å; F226-K230 PolarHBondContact O-N 3.45Å
227	T	76.5	Confident	76.2	Confident	3 Å²	3	67.6 Å²	67.6	2%	0.018	32%	0.322	C	S	.	.	H	α-helix	trans	-65.3	-40.5	173.5	-49.1	0	0	0	0	110.9	V198 L202 V220 N223 R224 I225 K230 F231	V198-T227 HydrophobicContact CG1-CG2 4.23Å; L202-T227 HydrophobicContact CB-CG2 4.48Å; L202-T227 HydrophobicContact CD1-CG2 4.45Å; L202-T227 VanDerWaalsContact CD2-CB 3.5Å; L202-T227 HydrophobicContact CD2-CG2 3.34Å; L202-T227 HydrophobicContact CG-CG2 3.45Å; L202-T227 VanDerWaalsContact CG-CG2 3.45Å; V220-T227 PolarHBondContact O-OG1 2.97Å; N223-T227 PolarHBondContact O-N 3.03Å; N223-T227 PolarHBondContact O-OG1 3.37Å; R224-T227 PolarHBondContact O-N 2.96Å; I225-T227 VanDerWaalsContact C-N 3.33Å; I225-T227 PolarHBondContact O-N 2.84Å; T227-K230 PolarHBondContact O-N 3.1Å; T227-F231 WeakPolarHBondContact O-CB 3.49Å; T227-F231 PolarHBondContact O-N 3.37Å
228	S	80.4	Confident	77.8	Confident	62 Å²	62	65.5 Å²	65.5	43%	0.434	31%	0.307	S	S	.	.	H	α-helix	trans	-66.6	-43.9	176	-65.6	0	0	0	0	112.8	R224 I225 K230 F231 L232	R224-S228 WeakPolarHBondContact O-CB 3.28Å; R224-S228 PolarHBondContact O-N 3.16Å; R224-S228 PolarHBondContact O-OG 3.21Å; R224-S228 VanDerWaalsContact O-OG 3.08Å; I225-S228 PolarHBondContact O-N 3.37Å; S228-K230 VanDerWaalsContact C-N 3.31Å; S228-K230 PolarHBondContact O-N 3.46Å; S228-F231 PolarHBondContact O-N 2.59Å; S228-L232 PolarHBondContact O-N 2.81Å
229	I	86	Confident	79.6	Confident	79 Å²	79	65.9 Å²	65.9	41%	0.405	31%	0.308	S	S	.	.	H	α-helix	trans	-59.1	-46.2	174.1	-70.3	168.2	0	0	0	110	F135 I225 F226 F231 L232 Y233	F135-I229 HydrophobicContact CE1-CG2 4.36Å; F135-I229 HydrophobicContact CZ-CG2 4.08Å; I225-I229 HydrophobicContact CG2-CD1 3.94Å; I225-I229 WeakPolarHBondContact O-CG1 3.12Å; I225-I229 PolarHBondContact O-N 2.94Å; F226-I229 HydrophobicContact CD1-CD1 4.37Å; I229-F231 VanDerWaalsContact C-N 3.35Å; I229-F231 PolarHBondContact O-N 2.72Å; I229-L232 PolarHBondContact O-N 3.04Å; I229-Y233 WeakPolarHBondContact O-CB 3.43Å; I229-Y233 PolarHBondContact O-N 3.34Å
230	K	83.8	Confident	81.4	Confident	22 Å²	22	61.2 Å²	61.2	10%	0.096	30%	0.299	C	S	.	.	H	α-helix	trans	-62.1	-43.6	177.4	-173.6	168.8	-179.4	177.4	0	111.2	V198 N215 N216 V220 F226 T227 S228 L232 Y233 Y234	V198-K230 HydrophobicContact CG1-CB 4.39Å; V198-K230 HydrophobicContact CG1-CG 4.2Å; V198-K230 HydrophobicContact CG2-CD 4.25Å; V198-K230 HydrophobicContact CG2-CG 4.28Å; N215-K230 PolarHBondContact O-NZ 3.28Å; N216-K230 PolarHBondContact OD1-NZ 3.16Å; V220-K230 HydrophobicContact CG1-CB 4.29Å; V220-K230 HydrophobicContact CG1-CD 3.7Å; F226-K230 VanDerWaalsContact O-CB 3.26Å; F226-K230 WeakPolarHBondContact O-CB 3.18Å; F226-K230 PolarHBondContact O-N 3.45Å; T227-K230 PolarHBondContact O-N 3.1Å; S228-K230 VanDerWaalsContact C-N 3.31Å; S228-K230 PolarHBondContact O-N 3.46Å; K230-L232 PolarHBondContact O-N 3.03Å; K230-Y233 WeakPolarHBondContact O-CB 3.43Å; K230-Y233 PolarHBondContact O-N 3.23Å; K230-Y234 HydrophobicContact CD-CE2 4.12Å; K230-Y234 HydrophobicContact CG-CD2 3.64Å; K230-Y234 HydrophobicContact CG-CE2 3.61Å; K230-Y234 VanDerWaalsContact O-CD2 3.28Å; K230-Y234 WeakPolarHBondContact O-CD2 2.96Å; K230-Y234 PolarHBondContact O-N 3.36Å
231	F	83.7	Confident	83.2	Confident	65 Å²	65	60.9 Å²	60.9	29%	0.285	30%	0.297	S	S	.	.	H	α-helix	trans	-59	-47.3	176.6	-178.7	-95.1	0	0	0	112.1	L195 V198 L202 T227 S228 I229 Y233 Y234 H235	L195-F231 HydrophobicContact CD1-CD2 3.88Å; L195-F231 HydrophobicContact CD1-CE2 3.71Å; L195-F231 HydrophobicContact CD1-CZ 4.39Å; L195-F231 HydrophobicContact CG-CE2 4.1Å; V198-F231 HydrophobicContact CG1-CB 4Å; V198-F231 HydrophobicContact CG1-CD2 4.42Å; L202-F231 HydrophobicContact CD1-CB 3.65Å; L202-F231 HydrophobicContact CD1-CD1 4.41Å; L202-F231 HydrophobicContact CD1-CD2 3.95Å; L202-F231 HydrophobicContact CD1-CG 3.74Å; T227-F231 WeakPolarHBondContact O-CB 3.49Å; T227-F231 PolarHBondContact O-N 3.37Å; S228-F231 PolarHBondContact O-N 2.59Å; I229-F231 VanDerWaalsContact C-N 3.35Å; I229-F231 PolarHBondContact O-N 2.72Å; F231-Y233 VanDerWaalsContact C-N 3.33Å; F231-Y233 PolarHBondContact O-N 3.46Å; F231-Y234 PolarHBondContact O-N 3.14Å; F231-H235 WeakPolarHBondContact O-CB 3.47Å; F231-H235 PolarHBondContact O-N 3.05Å
232	L	87.9	Confident	85.2	Confident	100 Å²	100	64.5 Å²	64.5	52%	0.524	31%	0.31	S	S	.	.	H	α-helix	trans	-59.3	-44.5	175.2	178.2	61.4	0	0	0	111.5	S228 I229 K230 H235 L236	S228-L232 PolarHBondContact O-N 2.81Å; I229-L232 PolarHBondContact O-N 3.04Å; K230-L232 PolarHBondContact O-N 3.03Å; L232-H235 PolarHBondContact O-N 3.36Å; L232-L236 HydrophobicContact CD1-CD1 4.02Å; L232-L236 HydrophobicContact CD1-CG 3.99Å; L232-L236 HydrophobicContact CG-CD1 3.98Å; L232-L236 HydrophobicContact CG-CG 4.35Å; L232-L236 WeakPolarHBondContact O-CB 3.28Å; L232-L236 WeakPolarHBondContact O-CG 3.46Å; L232-L236 PolarHBondContact O-N 3.12Å
233	Y	88.9	Confident	86.7	Confident	29 Å²	29	65.3 Å²	65.3	11%	0.114	31%	0.31	C	S	.	.	H	α-helix	trans	-57.1	-51.2	175.4	158.3	-106.8	0	0	0	112.4	F135 L137 A138 I229 K230 F231 H235 L236 F237	F135-Y233 HydrophobicContact CB-CD2 4.34Å; F135-Y233 HydrophobicContact CB-CE2 3.76Å; F135-Y233 AromaticContact CD1-CD1 3.87Å; F135-Y233 HydrophobicContact CD1-CD1 3.87Å; F135-Y233 AromaticContact CD1-CD2 3.32Å; F135-Y233 HydrophobicContact CD1-CD2 3.32Å; F135-Y233 HydrophobicContact CD1-CE1 4.12Å; F135-Y233 AromaticContact CD1-CE2 3.56Å; F135-Y233 HydrophobicContact CD1-CE2 3.56Å; F135-Y233 AromaticContact CD1-CG 3.46Å; F135-Y233 HydrophobicContact CD1-CG 3.46Å; F135-Y233 VanDerWaalsContact CD1-CG 3.46Å; F135-Y233 AromaticContact CD1-CZ 3.96Å; F135-Y233 HydrophobicContact CE1-CD1 4.28Å; F135-Y233 AromaticContact CE1-CD2 3.95Å; F135-Y233 HydrophobicContact CE1-CD2 3.95Å; F135-Y233 AromaticContact CE1-CG 3.75Å; F135-Y233 HydrophobicContact CE1-CG 3.75Å; F135-Y233 HydrophobicContact CG-CD2 4.19Å; F135-Y233 HydrophobicContact CG-CE2 4.1Å; F135-Y233 PolarHBondContact O-OH 2.79Å; L137-Y233 VanDerWaalsContact CB-OH 3.3Å; L137-Y233 WeakPolarHBondContact CB-OH 3.4Å; L137-Y233 PolarHBondContact N-OH 3.23Å; A138-Y233 HydrophobicContact CB-CD2 4.49Å; A138-Y233 HydrophobicContact CB-CE2 3.59Å; A138-Y233 PolarHBondContact N-OH 2.93Å; I229-Y233 WeakPolarHBondContact O-CB 3.43Å; I229-Y233 PolarHBondContact O-N 3.34Å; K230-Y233 WeakPolarHBondContact O-CB 3.43Å; K230-Y233 PolarHBondContact O-N 3.23Å; F231-Y233 VanDerWaalsContact C-N 3.33Å; F231-Y233 PolarHBondContact O-N 3.46Å; Y233-H235 VanDerWaalsContact C-N 3.31Å; Y233-H235 PolarHBondContact O-N 3.46Å; Y233-L236 PolarHBondContact O-N 3.27Å; Y233-F237 VanDerWaalsContact O-CB 3.28Å; Y233-F237 WeakPolarHBondContact O-CB 3.35Å; Y233-F237 PolarHBondContact O-N 3.3Å
234	Y	87.5	Confident	88	Confident	13 Å²	13	62.8 Å²	62.8	5%	0.051	30%	0.297	C	S	.	.	H	α-helix	trans	-61.7	-40.5	177.6	-88.2	-96.9	0	0	0	111.2	L137 I190 M194 V198 K230 F231 F237 I238	L137-Y234 HydrophobicContact CD1-CE1 4.35Å; I190-Y234 HydrophobicContact CD1-CD1 3.57Å; I190-Y234 HydrophobicContact CD1-CE1 4.02Å; I190-Y234 HydrophobicContact CD1-CG 4.47Å; I190-Y234 HydrophobicContact CG1-CD1 4.32Å; I190-Y234 HydrophobicContact CG1-CE1 4.5Å; M194-Y234 HydrophobicContact CB-CD1 4.11Å; M194-Y234 HydrophobicContact CB-CE1 3.76Å; M194-Y234 HydrophobicContact CE-CE1 3.8Å; M194-Y234 HydrophobicContact SD-CE1 4.32Å; V198-Y234 HydrophobicContact CG2-CD2 4.24Å; V198-Y234 HydrophobicContact CG2-CE2 4.31Å; K230-Y234 HydrophobicContact CD-CE2 4.12Å; K230-Y234 HydrophobicContact CG-CD2 3.64Å; K230-Y234 HydrophobicContact CG-CE2 3.61Å; K230-Y234 VanDerWaalsContact O-CD2 3.28Å; K230-Y234 WeakPolarHBondContact O-CD2 2.96Å; K230-Y234 PolarHBondContact O-N 3.36Å; F231-Y234 PolarHBondContact O-N 3.14Å; Y234-F237 PolarHBondContact O-N 2.92Å; Y234-I238 WeakPolarHBondContact O-CB 3.34Å; Y234-I238 VanDerWaalsContact O-CG1 3.26Å; Y234-I238 WeakPolarHBondContact O-CG1 3.21Å; Y234-I238 PolarHBondContact O-N 3.49Å
235	H	88.2	Confident	89.1	Confident	68 Å²	68	53.2 Å²	53.2	32%	0.315	26%	0.262	S	S	.	.	H	α-helix	trans	-64.6	-46.5	178.7	-173	66.9	0	0	0	112.8	F231 L232 Y233 I238 K239	F231-H235 WeakPolarHBondContact O-CB 3.47Å; F231-H235 PolarHBondContact O-N 3.05Å; L232-H235 PolarHBondContact O-N 3.36Å; Y233-H235 VanDerWaalsContact C-N 3.31Å; Y233-H235 PolarHBondContact O-N 3.46Å; H235-I238 PolarHBondContact O-N 3.1Å; H235-K239 WeakPolarHBondContact NE2-CE 3.22Å; H235-K239 PolarHBondContact O-N 2.83Å; H235-K239 VanDerWaalsContact O-N 3.08Å
236	L	92	Very high	89.8	Confident	95 Å²	95	48.9 Å²	48.9	50%	0.497	24%	0.242	S	C	.	.	H	α-helix	trans	-64	-42.8	175.8	-69.4	176.1	0	0	0	111.3	L232 Y233 K239 A240	L232-L236 HydrophobicContact CD1-CD1 4.02Å; L232-L236 HydrophobicContact CD1-CG 3.99Å; L232-L236 HydrophobicContact CG-CD1 3.98Å; L232-L236 HydrophobicContact CG-CG 4.35Å; L232-L236 WeakPolarHBondContact O-CB 3.28Å; L232-L236 WeakPolarHBondContact O-CG 3.46Å; L232-L236 PolarHBondContact O-N 3.12Å; Y233-L236 PolarHBondContact O-N 3.27Å; L236-K239 WeakPolarHBondContact O-CB 3.27Å; L236-K239 PolarHBondContact O-N 3.1Å; L236-A240 PolarHBondContact O-N 3.14Å
237	F	92.5	Very high	90.7	Very high	12 Å²	12	48.4 Å²	48.4	5%	0.053	25%	0.249	C	C	.	.	H	α-helix	trans	-64	-41.9	177.7	-170.8	-87.9	0	0	0	111.8	L137 A138 A141 F168 T189 I190 Y233 Y234 K239 A240 Y241	L137-F237 HydrophobicContact CB-CD2 4.32Å; L137-F237 HydrophobicContact CB-CE1 4.06Å; L137-F237 HydrophobicContact CB-CE2 3.82Å; L137-F237 HydrophobicContact CB-CZ 3.66Å; L137-F237 HydrophobicContact CD1-CE1 4.39Å; L137-F237 VanDerWaalsContact O-CE2 3.27Å; L137-F237 WeakPolarHBondContact O-CE2 3.28Å; A138-F237 HydrophobicContact CB-CD2 4.1Å; A138-F237 HydrophobicContact CB-CE2 4.41Å; A141-F237 HydrophobicContact CB-CE2 3.63Å; A141-F237 HydrophobicContact CB-CZ 4.12Å; F168-F237 HydrophobicContact CE2-CE1 4.41Å; F168-F237 HydrophobicContact CE2-CE2 4.05Å; F168-F237 AromaticContact CE2-CZ 3.7Å; F168-F237 HydrophobicContact CE2-CZ 3.7Å; F168-F237 HydrophobicContact CZ-CE1 4.44Å; F168-F237 AromaticContact CZ-CE2 3.95Å; F168-F237 HydrophobicContact CZ-CE2 3.95Å; F168-F237 AromaticContact CZ-CZ 3.9Å; F168-F237 HydrophobicContact CZ-CZ 3.9Å; T189-F237 HydrophobicContact CG2-CE1 4.45Å; T189-F237 HydrophobicContact CG2-CZ 4.3Å; I190-F237 HydrophobicContact CB-CD1 4.01Å; I190-F237 HydrophobicContact CB-CE1 3.88Å; I190-F237 HydrophobicContact CD1-CB 4.43Å; I190-F237 HydrophobicContact CD1-CD1 3.48Å; I190-F237 VanDerWaalsContact CD1-CD1 3.48Å; I190-F237 HydrophobicContact CD1-CE1 4.18Å; I190-F237 HydrophobicContact CD1-CG 4.35Å; I190-F237 HydrophobicContact CG1-CD1 4.36Å; I190-F237 HydrophobicContact CG2-CD1 3.82Å; I190-F237 HydrophobicContact CG2-CE1 3.79Å; Y233-F237 VanDerWaalsContact O-CB 3.28Å; Y233-F237 WeakPolarHBondContact O-CB 3.35Å; Y233-F237 PolarHBondContact O-N 3.3Å; Y234-F237 PolarHBondContact O-N 2.92Å; F237-K239 PolarHBondContact O-N 3.48Å; F237-A240 PolarHBondContact O-N 3.26Å; F237-Y241 WeakPolarHBondContact O-CB 3.33Å; F237-Y241 PolarHBondContact O-N 2.99Å
238	I	91.9	Very high	91.7	Very high	5 Å²	5	53.3 Å²	53.3	3%	0.026	27%	0.274	C	S	.	.	H	α-helix	trans	-57	-50.2	172.9	-74.5	169.1	0	0	0	109.6	I190 L195 Y234 H235 A240 Y241 R242 L267	I190-I238 HydrophobicContact CD1-CD1 4.27Å; I190-I238 HydrophobicContact CD1-CG1 3.64Å; I190-I238 HydrophobicContact CG1-CG1 4.1Å; I190-I238 HydrophobicContact CG2-CG1 4.15Å; L195-I238 HydrophobicContact CB-CD1 3.78Å; L195-I238 HydrophobicContact CD1-CD1 4.33Å; L195-I238 HydrophobicContact CD2-CD1 3.85Å; L195-I238 HydrophobicContact CG-CD1 4.2Å; Y234-I238 WeakPolarHBondContact O-CB 3.34Å; Y234-I238 VanDerWaalsContact O-CG1 3.26Å; Y234-I238 WeakPolarHBondContact O-CG1 3.21Å; Y234-I238 PolarHBondContact O-N 3.49Å; H235-I238 PolarHBondContact O-N 3.1Å; I238-A240 VanDerWaalsContact C-N 3.31Å; I238-A240 PolarHBondContact O-N 3.48Å; I238-Y241 PolarHBondContact O-N 2.9Å; I238-R242 HydrophobicContact CG2-CG 4.03Å; I238-R242 WeakPolarHBondContact O-CB 3.17Å; I238-R242 WeakPolarHBondContact O-CG 3.36Å; I238-R242 PolarHBondContact O-N 3.48Å; I238-L267 HydrophobicContact CG2-CD2 4.21Å
239	K	94.1	Very high	92.6	Very high	117 Å²	117	50.4 Å²	50.4	51%	0.509	25%	0.254	S	S	.	.	H	α-helix	trans	-56.1	-44.5	178.3	-73.7	-177.8	176	-175	0	112.6	H235 L236 F237 R242 F243	H235-K239 WeakPolarHBondContact NE2-CE 3.22Å; H235-K239 PolarHBondContact O-N 2.83Å; H235-K239 VanDerWaalsContact O-N 3.08Å; L236-K239 WeakPolarHBondContact O-CB 3.27Å; L236-K239 PolarHBondContact O-N 3.1Å; F237-K239 PolarHBondContact O-N 3.48Å; K239-R242 PolarHBondContact O-N 3.45Å; K239-F243 PolarHBondContact O-N 3.14Å; K239-F243 VanDerWaalsContact O-N 3.09Å
240	A	95.4	Very high	93.2	Very high	41 Å²	41	47 Å²	47	34%	0.339	24%	0.236	S	C	.	.	H	α-helix	trans	-64.4	-45	177.9	0	0	0	0	0	111.6	F168 L236 F237 I238 R242 F243 S244	F168-A240 HydrophobicContact CE1-CB 3.86Å; F168-A240 HydrophobicContact CZ-CB 4.34Å; L236-A240 PolarHBondContact O-N 3.14Å; F237-A240 PolarHBondContact O-N 3.26Å; I238-A240 VanDerWaalsContact C-N 3.31Å; I238-A240 PolarHBondContact O-N 3.48Å; A240-R242 PolarHBondContact O-N 2.8Å; A240-F243 WeakPolarHBondContact O-CB 3.43Å; A240-F243 PolarHBondContact O-N 3.42Å; A240-S244 PolarHBondContact O-N 2.72Å; A240-S244 PolarHBondContact O-OG 3.18Å
241	Y	95.5	Very high	93.8	Very high	1 Å²	1	49.4 Å²	49.4	0%	0.004	25%	0.25	C	S	.	.	H	α-helix	trans	-63.1	-40.3	176.6	-174.5	-112.9	0	0	0	112.7	A167 F168 P188 T189 I190 F237 I238 F243 S244 G245 L267 W268	A167-Y241 HydrophobicContact CB-CD2 4.38Å; A167-Y241 HydrophobicContact CB-CE2 3.81Å; F168-Y241 AromaticContact CE2-CD2 3.93Å; F168-Y241 HydrophobicContact CE2-CD2 3.93Å; F168-Y241 HydrophobicContact CZ-CD2 4.23Å; P188-Y241 WeakPolarHBondContact CA-OH 3.36Å; P188-Y241 HydrophobicContact CB-CE1 4.11Å; T189-Y241 PolarHBondContact N-OH 2.76Å; T189-Y241 VanDerWaalsContact N-OH 3.15Å; T189-Y241 WeakPolarHBondContact OG1-CE2 3.35Å; I190-Y241 HydrophobicContact CG2-CD1 3.64Å; I190-Y241 HydrophobicContact CG2-CE1 4.26Å; I190-Y241 HydrophobicContact CG2-CG 3.9Å; F237-Y241 WeakPolarHBondContact O-CB 3.33Å; F237-Y241 PolarHBondContact O-N 2.99Å; I238-Y241 PolarHBondContact O-N 2.9Å; Y241-F243 VanDerWaalsContact C-N 3.34Å; Y241-F243 PolarHBondContact O-N 3.05Å; Y241-S244 PolarHBondContact O-N 3.46Å; Y241-G245 PolarHBondContact O-N 3.4Å; Y241-G245 VanDerWaalsContact O-N 3.12Å; Y241-L267 HydrophobicContact CD1-CB 4.48Å; Y241-L267 HydrophobicContact CD1-CD1 4.35Å; Y241-L267 HydrophobicContact CE1-CB 4.46Å; Y241-L267 HydrophobicContact CE1-CD1 3.98Å; Y241-W268 AromaticContact CD1-NE1 3.6Å; Y241-W268 HydrophobicContact CE1-CZ2 4.4Å; Y241-W268 AromaticContact CE1-NE1 3.14Å; Y241-W268 HydrophobicContact CE2-CZ2 4.09Å; Y241-W268 AromaticContact CE2-NE1 3.92Å; Y241-W268 AromaticContact CZ-CE2 3.8Å; Y241-W268 AromaticContact CZ-CZ2 3.72Å; Y241-W268 AromaticContact CZ-NE1 3.34Å; Y241-W268 VanDerWaalsContact CZ-NE1 3.34Å; Y241-W268 WeakPolarHBondContact OH-CZ2 3.18Å
242	R	96	Very high	94.5	Very high	103 Å²	103	46.7 Å²	46.7	39%	0.389	24%	0.239	S	C	.	.	H	α-helix	trans	-57.3	-47.6	173.4	-67.9	-153.9	164.3	120.5	-6.2	111	I238 K239 A240 S246 S266 L267	I238-R242 HydrophobicContact CG2-CG 4.03Å; I238-R242 WeakPolarHBondContact O-CB 3.17Å; I238-R242 WeakPolarHBondContact O-CG 3.36Å; I238-R242 PolarHBondContact O-N 3.48Å; K239-R242 PolarHBondContact O-N 3.45Å; A240-R242 PolarHBondContact O-N 2.8Å; R242-S246 WeakPolarHBondContact O-CB 3.49Å; R242-S246 PolarHBondContact O-N 3Å; R242-S266 PolarHBondContact NH2-O 3.39Å; R242-L267 VanDerWaalsContact CB-O 3.28Å; R242-L267 WeakPolarHBondContact CB-O 3.43Å; R242-L267 WeakPolarHBondContact CD-O 3.48Å; R242-L267 WeakPolarHBondContact CG-O 2.89Å; R242-L267 PolarHBondContact NE-O 2.81Å
243	F	97.1	Very high	95	Very high	94 Å²	94	42.9 Å²	42.9	41%	0.412	22%	0.222	S	C	.	.	H	α-helix	trans	-60.7	-50.7	176.6	166.2	-100.5	0	0	0	111	P171 W175 K239 A240 Y241 G245 S246 N249	P171-F243 HydrophobicContact CB-CE1 4.32Å; P171-F243 HydrophobicContact CG-CE1 4.29Å; W175-F243 AromaticContact CH2-CE2 3.89Å; W175-F243 HydrophobicContact CH2-CE2 3.89Å; W175-F243 AromaticContact CH2-CZ 3.44Å; W175-F243 HydrophobicContact CH2-CZ 3.44Å; W175-F243 VanDerWaalsContact CH2-CZ 3.44Å; W175-F243 AromaticContact CZ2-CE2 3.97Å; W175-F243 HydrophobicContact CZ2-CE2 3.97Å; W175-F243 AromaticContact CZ2-CZ 3.63Å; W175-F243 HydrophobicContact CZ2-CZ 3.63Å; W175-F243 HydrophobicContact CZ3-CZ 4.23Å; K239-F243 PolarHBondContact O-N 3.14Å; K239-F243 VanDerWaalsContact O-N 3.09Å; A240-F243 WeakPolarHBondContact O-CB 3.43Å; A240-F243 PolarHBondContact O-N 3.42Å; Y241-F243 VanDerWaalsContact C-N 3.34Å; Y241-F243 PolarHBondContact O-N 3.05Å; F243-G245 VanDerWaalsContact C-N 3.26Å; F243-G245 PolarHBondContact O-N 3.33Å; F243-S246 WeakPolarHBondContact O-CB 3.44Å; F243-S246 PolarHBondContact O-N 3.02Å; F243-S246 VanDerWaalsContact O-N 3.12Å; F243-S246 PolarHBondContact O-OG 3.34Å; F243-N249 WeakPolarHBondContact CZ-ND2 3.27Å; F243-N249 PolarHBondContact O-ND2 3.21Å
244	S	97.6	Very high	95.5	Very high	5 Å²	5	41.5 Å²	41.5	4%	0.035	22%	0.217	C	C	.	.	H	α-helix	trans	-56.2	-39.9	-176.9	-65.6	0	0	0	0	113.6	F168 A240 Y241 N249	F168-S244 WeakPolarHBondContact CD1-OG 3.25Å; F168-S244 WeakPolarHBondContact CE1-OG 3.48Å; A240-S244 PolarHBondContact O-N 2.72Å; A240-S244 PolarHBondContact O-OG 3.18Å; Y241-S244 PolarHBondContact O-N 3.46Å; S244-N249 VanDerWaalsContact O-CB 3.3Å; S244-N249 WeakPolarHBondContact O-CB 3.27Å
245	G	96.9	Very high	96	Very high	3 Å²	3	40.9 Å²	40.9	3%	0.031	21%	0.214	C	C	.	.	H	α-helix	trans	-92.7	-2.8	179.7	0	0	0	0	0	116.4	Y241 F243 V250 W268	Y241-G245 PolarHBondContact O-N 3.4Å; Y241-G245 VanDerWaalsContact O-N 3.12Å; F243-G245 VanDerWaalsContact C-N 3.26Å; F243-G245 PolarHBondContact O-N 3.33Å; G245-V250 WeakPolarHBondContact O-CG2 3.49Å; G245-W268 VanDerWaalsContact CA-CD2 3.41Å; G245-W268 WeakPolarHBondContact O-CB 3.17Å
246	S	97.4	Very high	96.4	Very high	23 Å²	23	38 Å²	38	16%	0.161	20%	0.201	C	C	.	.	S	Bend	trans	-64.4	161.7	-176.9	63.2	0	0	0	0	113.1	R242 F243 I248 N249 V250	R242-S246 WeakPolarHBondContact O-CB 3.49Å; R242-S246 PolarHBondContact O-N 3Å; F243-S246 WeakPolarHBondContact O-CB 3.44Å; F243-S246 PolarHBondContact O-N 3.02Å; F243-S246 VanDerWaalsContact O-N 3.12Å; F243-S246 PolarHBondContact O-OG 3.34Å; S246-I248 PolarHBondContact O-N 3.27Å; S246-I248 WeakPolarHBondContact OG-CG2 3.39Å; S246-N249 WeakPolarHBondContact O-CA 3Å; S246-N249 PolarHBondContact O-N 3.2Å; S246-V250 PolarHBondContact O-N 3.15Å
247	S	96.5	Very high	96.7	Very high	77 Å²	77	33.5 Å²	33.5	54%	0.538	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-11.7	-177.4	-54.4	0	0	0	0	115.7	N249 G270	S247-N249 VanDerWaalsContact C-N 3.3Å; S247-G270 VanDerWaalsContact OG-CA 3.25Å; S247-G270 WeakPolarHBondContact OG-CA 3.43Å
248	I	97.3	Very high	96.9	Very high	106 Å²	106	34.6 Å²	34.6	54%	0.544	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-26.2	169.5	-176.7	163.9	0	0	0	111.8	W175 S246	W175-I248 HydrophobicContact CZ2-CD1 4.43Å; S246-I248 PolarHBondContact O-N 3.27Å; S246-I248 WeakPolarHBondContact OG-CG2 3.39Å
249	N	98.2	Very high	97	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-29	-174.1	-67.6	-35.2	0	0	0	113.2	I170 P171 W175 T181 F243 S244 S246 S247	I170-N249 WeakPolarHBondContact CG2-O 3.28Å; P171-N249 HydrophobicContact CG-CB 4.11Å; W175-N249 PolarHBondContact NE1-OD1 2.85Å; T181-N249 WeakPolarHBondContact CB-O 3.3Å; T181-N249 PolarHBondContact OG1-O 3.32Å; F243-N249 WeakPolarHBondContact CZ-ND2 3.27Å; F243-N249 PolarHBondContact O-ND2 3.21Å; S244-N249 VanDerWaalsContact O-CB 3.3Å; S244-N249 WeakPolarHBondContact O-CB 3.27Å; S246-N249 WeakPolarHBondContact O-CA 3Å; S246-N249 PolarHBondContact O-N 3.2Å; S247-N249 VanDerWaalsContact C-N 3.3Å
250	V	98.1	Very high	97	Very high	7 Å²	7	30.5 Å²	30.5	4%	0.042	17%	0.168	C	C	.	.			trans	-116.8	112.8	-178.6	-174.3	0	0	0	0	109.4	I170 T181 A183 G245 S246 V252 A253 W268	I170-V250 HydrophobicContact CD1-CG2 3.97Å; I170-V250 HydrophobicContact CG2-CG2 4.09Å; T181-V250 WeakPolarHBondContact OG1-CA 3.45Å; A183-V250 HydrophobicContact CB-CG1 4.25Å; G245-V250 WeakPolarHBondContact O-CG2 3.49Å; S246-V250 PolarHBondContact O-N 3.15Å; V250-V252 WeakPolarHBondContact CG1-O 3.48Å; V250-A253 HydrophobicContact CG1-CB 4.05Å; V250-W268 HydrophobicContact CG2-CZ3 4.37Å
251	D	98.2	Very high	97.1	Very high	73 Å²	73	31.4 Å²	31.4	39%	0.39	17%	0.165	S	C	.	.	S	Bend	trans	-75.9	-38.8	178.5	-55.9	-69.6	0	0	0	111.7	K174 Q180 T181 F498	K174-D251 IonicContact NZ-OD1 3.08Å; K174-D251 PolarHBondContact NZ-OD1 3.08Å; K174-D251 IonicContact NZ-OD2 2.65Å; K174-D251 PolarHBondContact NZ-OD2 3.31Å; Q180-D251 WeakPolarHBondContact CA-OD2 3.32Å; T181-D251 PolarHBondContact N-OD2 3.3Å; T181-D251 WeakPolarHBondContact O-CA 3.25Å; T181-D251 VanDerWaalsContact O-CB 3.29Å; T181-D251 WeakPolarHBondContact O-CB 3.25Å; T181-D251 PolarHBondContact O-N 2.99Å; T181-D251 PolarHBondContact OG1-N 2.85Å; T181-D251 VanDerWaalsContact OG1-N 3.12Å; T181-D251 PolarHBondContact OG1-OD2 3.03Å; D251-F498 HydrophobicContact CB-CE1 4.03Å; D251-F498 HydrophobicContact CB-CZ 4.46Å
252	V	98.2	Very high	97	Very high	9 Å²	9	38.9 Å²	38.9	6%	0.055	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	114.5	179.9	173.7	0	0	0	0	110.1	T181 A182 A183 V250 M254 Q494 M495 F498	T181-V252 PolarHBondContact O-N 3.47Å; A182-V252 CarbonylContact C-O 3.57Å; A182-V252 WeakPolarHBondContact CA-O 3.14Å; A182-V252 HydrophobicContact CB-CB 3.98Å; A182-V252 HydrophobicContact CB-CG1 4.37Å; A183-V252 PolarHBondContact N-O 3.35Å; V250-V252 WeakPolarHBondContact CG1-O 3.48Å; V252-M254 HydrophobicContact CG1-CE 4.14Å; V252-M254 HydrophobicContact CG1-CG 4.17Å; V252-M254 HydrophobicContact CG1-SD 4.44Å; V252-Q494 HydrophobicContact CG1-CB 3.87Å; V252-Q494 HydrophobicContact CG1-CG 4.28Å; V252-M495 HydrophobicContact CG1-CE 4.28Å; V252-F498 HydrophobicContact CB-CZ 3.97Å; V252-F498 HydrophobicContact CG2-CE1 3.9Å; V252-F498 HydrophobicContact CG2-CE2 4.37Å; V252-F498 HydrophobicContact CG2-CZ 3.55Å
253	A	98.2	Very high	96.9	Very high	19 Å²	19	35.4 Å²	35.4	16%	0.157	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	121.5	174.4	0	0	0	0	0	109.9	V250 W268 P272 V273	V250-A253 HydrophobicContact CG1-CB 4.05Å; A253-W268 HydrophobicContact CB-CE3 4.49Å; A253-P272 HydrophobicContact CB-CB 4.05Å; A253-P272 CarbonylContact O-C 3.58Å; A253-P272 VanDerWaalsContact O-CA 3.28Å; A253-P272 WeakPolarHBondContact O-CA 3.42Å; A253-V273 PolarHBondContact O-N 3.33Å
254	M	98.6	Very high	96.8	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143	175.7	-66.5	169.7	-75.3	0	0	109.6	A182 A183 Y184 V185 V252 V273 L275 W491 Q494 M495	A182-M254 HydrophobicContact CB-CE 4.41Å; A183-M254 PolarHBondContact O-N 3.5Å; Y184-M254 WeakPolarHBondContact CA-O 3.33Å; Y184-M254 HydrophobicContact CD2-CB 3.75Å; Y184-M254 HydrophobicContact CD2-SD 4.44Å; Y184-M254 HydrophobicContact CE2-CB 4.38Å; V185-M254 PolarHBondContact N-O 3Å; V252-M254 HydrophobicContact CG1-CE 4.14Å; V252-M254 HydrophobicContact CG1-CG 4.17Å; V252-M254 HydrophobicContact CG1-SD 4.44Å; M254-V273 CarbonylContact C-O 3.58Å; M254-V273 VanDerWaalsContact CA-O 3.3Å; M254-V273 WeakPolarHBondContact CA-O 3.04Å; M254-L275 HydrophobicContact CB-CB 4.29Å; M254-L275 HydrophobicContact CG-CB 4.44Å; M254-L275 HydrophobicContact CG-CD2 4.38Å; M254-L275 HydrophobicContact SD-CD2 3.53Å; M254-L275 VanDerWaalsContact SD-CD2 3.53Å; M254-W491 HydrophobicContact CE-CE3 4.12Å; M254-W491 HydrophobicContact CE-CH2 4.04Å; M254-W491 HydrophobicContact CE-CZ3 3.76Å; M254-W491 HydrophobicContact SD-CE3 4.03Å; M254-W491 HydrophobicContact SD-CZ3 4.2Å; M254-Q494 HydrophobicContact CG-CG 3.96Å; M254-Q494 HydrophobicContact SD-CB 3.83Å; M254-Q494 HydrophobicContact SD-CG 3.7Å; M254-M495 HydrophobicContact CE-CE 3.76Å
255	T	98.1	Very high	96.7	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	140.7	177.7	56	0	0	0	0	111	V185 S257 T260 Q261 I264 P272 V273 V274 L275	V185-T255 HydrophobicContact CB-CG2 4.3Å; T255-S257 PolarHBondContact O-N 2.79Å; T255-S257 VanDerWaalsContact O-N 3.14Å; T255-S257 PolarHBondContact OG1-O 3.26Å; T255-T260 HydrophobicContact CG2-CG2 4.06Å; T255-Q261 HydrophobicContact CG2-CB 4.44Å; T255-Q261 WeakPolarHBondContact OG1-CA 3.46Å; T255-Q261 VanDerWaalsContact OG1-CB 3.26Å; T255-Q261 WeakPolarHBondContact OG1-CB 3.28Å; T255-I264 HydrophobicContact CG2-CB 4.05Å; T255-I264 HydrophobicContact CG2-CG1 3.92Å; T255-I264 HydrophobicContact CG2-CG2 4.35Å; T255-P272 HydrophobicContact CG2-CB 4.26Å; T255-V273 PolarHBondContact N-O 3.14Å; T255-V273 PolarHBondContact OG1-O 3.24Å; T255-V274 WeakPolarHBondContact O-CA 3.22Å; T255-L275 CarbonylContact O-C 3.49Å; T255-L275 PolarHBondContact O-N 2.88Å
256	N	97.3	Very high	96.5	Very high	8 Å²	8	38 Å²	38	4%	0.043	21%	0.208	C	C	.	.	S	Bend	trans	-67.1	-11	-177.6	68.3	-23.9	0	0	0	115.2	Y184 V185 H186 T260 Y276 P277 F397	Y184-N256 HydrophobicContact CE1-CB 3.96Å; Y184-N256 WeakPolarHBondContact OH-CA 3.37Å; Y184-N256 WeakPolarHBondContact OH-CB 3.39Å; V185-N256 PolarHBondContact O-N 3.3Å; V185-N256 VanDerWaalsContact O-N 3.16Å; V185-N256 PolarHBondContact O-OD1 3.43Å; H186-N256 PolarHBondContact O-ND2 3.01Å; H186-N256 PolarHBondContact O-OD1 3.49Å; N256-T260 VanDerWaalsContact OD1-CB 3.25Å; N256-T260 WeakPolarHBondContact OD1-CB 3.48Å; N256-T260 PolarHBondContact OD1-OG1 3.43Å; N256-Y276 WeakPolarHBondContact O-CD1 3.38Å; N256-P277 WeakPolarHBondContact O-CD 3.49Å; N256-F397 VanDerWaalsContact O-CD2 3.22Å; N256-F397 WeakPolarHBondContact O-CD2 3.32Å
257	S	97.1	Very high	96.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	-159.7	161	-179.9	66.8	0	0	0	0	111	T255 W259 T260 Q261 H396 D422	T255-S257 PolarHBondContact O-N 2.79Å; T255-S257 VanDerWaalsContact O-N 3.14Å; T255-S257 PolarHBondContact OG1-O 3.26Å; S257-W259 PolarHBondContact O-N 3.37Å; S257-T260 PolarHBondContact O-N 3.16Å; S257-T260 PolarHBondContact OG-N 3.44Å; S257-T260 PolarHBondContact OG-OG1 3.31Å; S257-T260 VanDerWaalsContact OG-OG1 3.12Å; S257-Q261 WeakPolarHBondContact O-CB 3.45Å; S257-Q261 PolarHBondContact O-N 2.79Å; S257-H396 WeakPolarHBondContact CB-O 3.47Å; S257-H396 PolarHBondContact OG-O 3Å; S257-D422 WeakPolarHBondContact CB-OD2 3.45Å
258	S	96.6	Very high	96.3	Very high	36 Å²	36	34.4 Å²	34.4	25%	0.252	18%	0.179	S	C	.	.	H	α-helix	trans	-66.2	-28.7	171.3	69.1	0	0	0	0	111.9	Q261 K262 D422	S258-Q261 WeakPolarHBondContact O-CB 3.31Å; S258-Q261 PolarHBondContact O-N 2.86Å; S258-K262 PolarHBondContact O-N 3.44Å; S258-D422 WeakPolarHBondContact CA-OD1 3.46Å; S258-D422 WeakPolarHBondContact CB-OD1 2.92Å; S258-D422 PolarHBondContact N-OD1 2.68Å; S258-D422 PolarHBondContact N-OD2 3.43Å; S258-D422 PolarHBondContact OG-OD1 3.2Å; S258-D422 PolarHBondContact OG-OD2 3.33Å
259	W	94	Very high	96.2	Very high	36 Å²	36	30.8 Å²	30.8	14%	0.136	17%	0.168	C	C	.	.	H	α-helix	trans	-60.7	-50.9	171.5	-174.9	87.5	0	0	0	111.9	Y187 S257 Q261 K262 H263 D394 H396 T421 D422	Y187-W259 AromaticContact CD2-CH2 3.94Å; Y187-W259 HydrophobicContact CD2-CH2 3.94Å; Y187-W259 AromaticContact CD2-CZ3 3.62Å; Y187-W259 HydrophobicContact CD2-CZ3 3.62Å; Y187-W259 AromaticContact CE2-CH2 3.5Å; Y187-W259 HydrophobicContact CE2-CH2 3.5Å; Y187-W259 VanDerWaalsContact CE2-CH2 3.5Å; Y187-W259 AromaticContact CE2-CZ3 3.66Å; Y187-W259 HydrophobicContact CE2-CZ3 3.66Å; S257-W259 PolarHBondContact O-N 3.37Å; W259-Q261 VanDerWaalsContact C-N 3.33Å; W259-Q261 PolarHBondContact O-N 2.86Å; W259-K262 PolarHBondContact O-N 2.82Å; W259-H263 AromaticContact CD2-CD2 3.93Å; W259-H263 AromaticContact CD2-NE2 3.95Å; W259-H263 AromaticContact CE2-CD2 3.93Å; W259-H263 AromaticContact CE2-NE2 3.46Å; W259-H263 AromaticContact CZ2-NE2 3.52Å; W259-H263 AromaticContact NE1-NE2 3.85Å; W259-H263 PolarHBondContact O-CD2 3.25Å; W259-H263 PolarHBondContact O-N 3.25Å; W259-D394 HydrophobicContact CH2-CB 4.29Å; W259-D394 HydrophobicContact CZ2-CB 4.01Å; W259-H396 HydrophobicContact CE3-CB 4.47Å; W259-H396 AromaticContact CH2-CD2 3.78Å; W259-H396 HydrophobicContact CZ3-CB 4.16Å; W259-H396 AromaticContact CZ3-CD2 3.4Å; W259-H396 VanDerWaalsContact CZ3-CD2 3.4Å; W259-H396 WeakPolarHBondContact CZ3-CD2 3.26Å; W259-T421 WeakPolarHBondContact CB-OG1 3.4Å; W259-D422 PolarHBondContact N-OD2 2.71Å
260	T	94.9	Very high	96	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.3	-39.4	175.6	-60.6	0	0	0	0	111.1	V185 H186 T255 N256 S257 K262 H263 I264	V185-T260 HydrophobicContact CB-CG2 4.46Å; V185-T260 HydrophobicContact CG1-CG2 4.05Å; H186-T260 PolarHBondContact O-OG1 2.78Å; T255-T260 HydrophobicContact CG2-CG2 4.06Å; N256-T260 VanDerWaalsContact OD1-CB 3.25Å; N256-T260 WeakPolarHBondContact OD1-CB 3.48Å; N256-T260 PolarHBondContact OD1-OG1 3.43Å; S257-T260 PolarHBondContact O-N 3.16Å; S257-T260 PolarHBondContact OG-N 3.44Å; S257-T260 PolarHBondContact OG-OG1 3.31Å; S257-T260 VanDerWaalsContact OG-OG1 3.12Å; T260-K262 VanDerWaalsContact C-N 3.31Å; T260-K262 PolarHBondContact O-N 3Å; T260-H263 PolarHBondContact O-N 2.64Å; T260-H263 VanDerWaalsContact O-N 3.14Å; T260-I264 HydrophobicContact CG2-CG1 4.22Å; T260-I264 PolarHBondContact O-N 3.37Å
261	Q	96.5	Very high	95.9	Very high	60 Å²	60	41.5 Å²	41.5	28%	0.28	22%	0.224	S	C	.	.	H	α-helix	trans	-53.9	-46.7	175.4	-166.3	-164.4	30	0	0	111.9	T255 S257 S258 W259 H263 I264 L265 P272 V274	T255-Q261 HydrophobicContact CG2-CB 4.44Å; T255-Q261 WeakPolarHBondContact OG1-CA 3.46Å; T255-Q261 VanDerWaalsContact OG1-CB 3.26Å; T255-Q261 WeakPolarHBondContact OG1-CB 3.28Å; S257-Q261 WeakPolarHBondContact O-CB 3.45Å; S257-Q261 PolarHBondContact O-N 2.79Å; S258-Q261 WeakPolarHBondContact O-CB 3.31Å; S258-Q261 PolarHBondContact O-N 2.86Å; W259-Q261 VanDerWaalsContact C-N 3.33Å; W259-Q261 PolarHBondContact O-N 2.86Å; Q261-H263 VanDerWaalsContact C-N 3.29Å; Q261-H263 PolarHBondContact O-N 3.08Å; Q261-I264 PolarHBondContact O-N 3.41Å; Q261-L265 VanDerWaalsContact O-CB 3.31Å; Q261-L265 WeakPolarHBondContact O-CB 3.44Å; Q261-L265 PolarHBondContact O-N 3.13Å; Q261-P272 HydrophobicContact CG-CB 4.21Å; Q261-P272 HydrophobicContact CG-CG 3.93Å; Q261-P272 PolarHBondContact NE2-O 2.85Å; Q261-V274 HydrophobicContact CB-CG2 3.9Å; Q261-V274 VanDerWaalsContact CD-CG2 3.41Å; Q261-V274 HydrophobicContact CG-CG2 4.03Å
262	K	94.4	Very high	95.9	Very high	158 Å²	158	38.4 Å²	38.4	69%	0.687	21%	0.208	S	C	*	.	H	α-helix	trans	-59.4	-41.1	179.2	-175.2	178	-179.5	177	0	111.8	S258 W259 T260 S266	S258-K262 PolarHBondContact O-N 3.44Å; W259-K262 PolarHBondContact O-N 2.82Å; T260-K262 VanDerWaalsContact C-N 3.31Å; T260-K262 PolarHBondContact O-N 3Å; K262-S266 PolarHBondContact O-N 3.44Å; K262-S266 VanDerWaalsContact O-N 3.15Å
263	H	93.1	Very high	95.8	Very high	29 Å²	29	40.7 Å²	40.7	13%	0.134	22%	0.222	C	C	.	.	H	α-helix	trans	-67.8	-45.2	176.3	-70.9	-66.4	0	0	0	112.3	P188 W259 T260 Q261 S266 L267	P188-H263 HydrophobicContact CG-CB 3.98Å; W259-H263 AromaticContact CD2-CD2 3.93Å; W259-H263 AromaticContact CD2-NE2 3.95Å; W259-H263 AromaticContact CE2-CD2 3.93Å; W259-H263 AromaticContact CE2-NE2 3.46Å; W259-H263 AromaticContact CZ2-NE2 3.52Å; W259-H263 AromaticContact NE1-NE2 3.85Å; W259-H263 PolarHBondContact O-CD2 3.25Å; W259-H263 PolarHBondContact O-N 3.25Å; T260-H263 PolarHBondContact O-N 2.64Å; T260-H263 VanDerWaalsContact O-N 3.14Å; Q261-H263 VanDerWaalsContact C-N 3.29Å; Q261-H263 PolarHBondContact O-N 3.08Å; H263-S266 PolarHBondContact O-N 3.46Å; H263-L267 WeakPolarHBondContact O-CB 3.45Å; H263-L267 WeakPolarHBondContact O-CD1 3.13Å; H263-L267 VanDerWaalsContact O-CG 3.31Å; H263-L267 WeakPolarHBondContact O-CG 3.49Å; H263-L267 PolarHBondContact O-N 2.86Å
264	I	95.3	Very high	95.9	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-65.4	-41.3	178.7	-69	-61.4	0	0	0	111.3	V185 P188 T255 T260 Q261 S266 L267 W268 P272	V185-I264 HydrophobicContact CB-CD1 4.35Å; V185-I264 HydrophobicContact CB-CG1 4.25Å; V185-I264 HydrophobicContact CG1-CD1 3.69Å; V185-I264 HydrophobicContact CG1-CG1 3.89Å; V185-I264 HydrophobicContact CG2-CD1 4.22Å; V185-I264 HydrophobicContact CG2-CG1 4.37Å; P188-I264 HydrophobicContact CB-CD1 4.05Å; T255-I264 HydrophobicContact CG2-CB 4.05Å; T255-I264 HydrophobicContact CG2-CG1 3.92Å; T255-I264 HydrophobicContact CG2-CG2 4.35Å; T260-I264 HydrophobicContact CG2-CG1 4.22Å; T260-I264 PolarHBondContact O-N 3.37Å; Q261-I264 PolarHBondContact O-N 3.41Å; I264-S266 VanDerWaalsContact C-N 3.29Å; I264-S266 PolarHBondContact O-N 3.35Å; I264-L267 PolarHBondContact O-N 3.44Å; I264-L267 VanDerWaalsContact O-N 3.14Å; I264-W268 HydrophobicContact CD1-CD2 4.03Å; I264-W268 HydrophobicContact CD1-CE3 4.39Å; I264-W268 HydrophobicContact CD1-CH2 4.46Å; I264-W268 HydrophobicContact CD1-CZ2 4.1Å; I264-W268 HydrophobicContact CG2-CB 4.16Å; I264-W268 HydrophobicContact CG2-CD2 3.8Å; I264-W268 HydrophobicContact CG2-CE3 3.59Å; I264-W268 HydrophobicContact CG2-CG 4.09Å; I264-W268 HydrophobicContact CG2-CZ3 4.31Å; I264-W268 WeakPolarHBondContact O-CA 3.48Å; I264-W268 WeakPolarHBondContact O-CB 3.26Å; I264-W268 PolarHBondContact O-N 3.35Å; I264-P272 HydrophobicContact CG2-CB 3.98Å; I264-P272 HydrophobicContact CG2-CG 4.15Å
265	L	95.4	Very high	95.8	Very high	91 Å²	91	42.2 Å²	42.2	48%	0.476	23%	0.228	S	C	.	.	H	α-helix	trans	-58.8	-41.1	173.5	-178.3	63.6	0	0	0	111.8	Q261 L267 G269 G270 P272	Q261-L265 VanDerWaalsContact O-CB 3.31Å; Q261-L265 WeakPolarHBondContact O-CB 3.44Å; Q261-L265 PolarHBondContact O-N 3.13Å; L265-L267 VanDerWaalsContact C-N 3.33Å; L265-L267 PolarHBondContact O-N 2.76Å; L265-G269 WeakPolarHBondContact O-CA 3.34Å; L265-G269 PolarHBondContact O-N 3.32Å; L265-G270 WeakPolarHBondContact CD1-O 3.48Å; L265-P272 HydrophobicContact CB-CG 4.13Å
266	S	93.6	Very high	95.8	Very high	66 Å²	66	44.7 Å²	44.7	46%	0.462	24%	0.238	S	C	.	.	H	α-helix	trans	-70.7	-25.7	177.7	178	0	0	0	0	114.1	R242 K262 H263 I264	R242-S266 PolarHBondContact NH2-O 3.39Å; K262-S266 PolarHBondContact O-N 3.44Å; K262-S266 VanDerWaalsContact O-N 3.15Å; H263-S266 PolarHBondContact O-N 3.46Å; I264-S266 VanDerWaalsContact C-N 3.29Å; I264-S266 PolarHBondContact O-N 3.35Å
267	L	93.8	Very high	95.8	Very high	7 Å²	7	44.4 Å²	44.4	4%	0.037	24%	0.237	C	C	.	.	H	α-helix	trans	-95	-58.1	-177.6	-69	165.4	0	0	0	110.8	P188 I190 I238 Y241 R242 H263 I264 L265	P188-L267 HydrophobicContact CB-CD1 3.69Å; P188-L267 HydrophobicContact CG-CD1 4.3Å; I190-L267 WeakPolarHBondContact O-CD1 3.34Å; I238-L267 HydrophobicContact CG2-CD2 4.21Å; Y241-L267 HydrophobicContact CD1-CB 4.48Å; Y241-L267 HydrophobicContact CD1-CD1 4.35Å; Y241-L267 HydrophobicContact CE1-CB 4.46Å; Y241-L267 HydrophobicContact CE1-CD1 3.98Å; R242-L267 VanDerWaalsContact CB-O 3.28Å; R242-L267 WeakPolarHBondContact CB-O 3.43Å; R242-L267 WeakPolarHBondContact CD-O 3.48Å; R242-L267 WeakPolarHBondContact CG-O 2.89Å; R242-L267 PolarHBondContact NE-O 2.81Å; H263-L267 WeakPolarHBondContact O-CB 3.45Å; H263-L267 WeakPolarHBondContact O-CD1 3.13Å; H263-L267 VanDerWaalsContact O-CG 3.31Å; H263-L267 WeakPolarHBondContact O-CG 3.49Å; H263-L267 PolarHBondContact O-N 2.86Å; I264-L267 PolarHBondContact O-N 3.44Å; I264-L267 VanDerWaalsContact O-N 3.14Å; L265-L267 VanDerWaalsContact C-N 3.33Å; L265-L267 PolarHBondContact O-N 2.76Å
268	W	95.7	Very high	95.8	Very high	16 Å²	16	44.4 Å²	44.4	6%	0.061	24%	0.237	C	C	.	.	H	α-helix	trans	-88.4	-24.3	-173.9	-63.4	0.9	0	0	0	112.9	A167 A183 V185 Y241 G245 V250 A253 I264	A167-W268 HydrophobicContact CB-CH2 4.14Å; A167-W268 HydrophobicContact CB-CZ2 3.68Å; A183-W268 HydrophobicContact CB-CH2 4.04Å; A183-W268 HydrophobicContact CB-CZ3 3.93Å; V185-W268 HydrophobicContact CG2-CH2 3.51Å; V185-W268 HydrophobicContact CG2-CZ2 4.38Å; V185-W268 HydrophobicContact CG2-CZ3 3.72Å; Y241-W268 AromaticContact CD1-NE1 3.6Å; Y241-W268 HydrophobicContact CE1-CZ2 4.4Å; Y241-W268 AromaticContact CE1-NE1 3.14Å; Y241-W268 HydrophobicContact CE2-CZ2 4.09Å; Y241-W268 AromaticContact CE2-NE1 3.92Å; Y241-W268 AromaticContact CZ-CE2 3.8Å; Y241-W268 AromaticContact CZ-CZ2 3.72Å; Y241-W268 AromaticContact CZ-NE1 3.34Å; Y241-W268 VanDerWaalsContact CZ-NE1 3.34Å; Y241-W268 WeakPolarHBondContact OH-CZ2 3.18Å; G245-W268 VanDerWaalsContact CA-CD2 3.41Å; G245-W268 WeakPolarHBondContact O-CB 3.17Å; V250-W268 HydrophobicContact CG2-CZ3 4.37Å; A253-W268 HydrophobicContact CB-CE3 4.49Å; I264-W268 HydrophobicContact CD1-CD2 4.03Å; I264-W268 HydrophobicContact CD1-CE3 4.39Å; I264-W268 HydrophobicContact CD1-CH2 4.46Å; I264-W268 HydrophobicContact CD1-CZ2 4.1Å; I264-W268 HydrophobicContact CG2-CB 4.16Å; I264-W268 HydrophobicContact CG2-CD2 3.8Å; I264-W268 HydrophobicContact CG2-CE3 3.59Å; I264-W268 HydrophobicContact CG2-CG 4.09Å; I264-W268 HydrophobicContact CG2-CZ3 4.31Å; I264-W268 WeakPolarHBondContact O-CA 3.48Å; I264-W268 WeakPolarHBondContact O-CB 3.26Å; I264-W268 PolarHBondContact O-N 3.35Å
269	G	94.6	Very high	95.6	Very high	30 Å²	30	42.7 Å²	42.7	31%	0.309	23%	0.225	S	C	.	.			trans	72.3	-145.3	-168.5	0	0	0	0	0	111.2	L265	L265-G269 WeakPolarHBondContact O-CA 3.34Å; L265-G269 PolarHBondContact O-N 3.32Å
270	G	94.8	Very high	95.4	Very high	35 Å²	35	41.2 Å²	41.2	36%	0.361	22%	0.22	S	C	.	.	S	Bend	trans	68.5	-151.1	176.9	0	0	0	0	0	113.7	S247 L265	S247-G270 VanDerWaalsContact OG-CA 3.25Å; S247-G270 WeakPolarHBondContact OG-CA 3.43Å; L265-G270 WeakPolarHBondContact CD1-O 3.48Å
271	K	95.8	Very high	95.2	Very high	198 Å²	198	41.2 Å²	41.2	86%	0.861	22%	0.22	S	C	*	.			trans	-130.4	63.1	-178.5	-61.7	-178.3	-177.8	179.6	0	110.6	V273	K271-V273 PolarHBondContact O-N 3.43Å
272	P	97.3	Very high	94.7	Very high	7 Å²	7	43 Å²	43	5%	0.045	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-58.9	136.9	176.3	26.6	-34.5	0	0	0	110.2	A253 T255 Q261 I264 L265	A253-P272 HydrophobicContact CB-CB 4.05Å; A253-P272 CarbonylContact O-C 3.58Å; A253-P272 VanDerWaalsContact O-CA 3.28Å; A253-P272 WeakPolarHBondContact O-CA 3.42Å; T255-P272 HydrophobicContact CG2-CB 4.26Å; Q261-P272 HydrophobicContact CG-CB 4.21Å; Q261-P272 HydrophobicContact CG-CG 3.93Å; Q261-P272 PolarHBondContact NE2-O 2.85Å; I264-P272 HydrophobicContact CG2-CB 3.98Å; I264-P272 HydrophobicContact CG2-CG 4.15Å; L265-P272 HydrophobicContact CB-CG 4.13Å
273	V	97.9	Very high	94.3	Very high	58 Å²	58	37.9 Å²	37.9	35%	0.352	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	138.3	179.2	177.5	0	0	0	0	109.5	A253 M254 T255 K271 L275	A253-V273 PolarHBondContact O-N 3.33Å; M254-V273 CarbonylContact C-O 3.58Å; M254-V273 VanDerWaalsContact CA-O 3.3Å; M254-V273 WeakPolarHBondContact CA-O 3.04Å; T255-V273 PolarHBondContact N-O 3.14Å; T255-V273 PolarHBondContact OG1-O 3.24Å; K271-V273 PolarHBondContact O-N 3.43Å; V273-L275 PolarHBondContact O-N 3.42Å
274	V	98.3	Very high	94	Very high	37 Å²	37	36.6 Å²	36.6	22%	0.224	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	120.3	170.8	-176.5	0	0	0	0	108.9	T255 Q261 Y276	T255-V274 WeakPolarHBondContact O-CA 3.22Å; Q261-V274 HydrophobicContact CB-CG2 3.9Å; Q261-V274 VanDerWaalsContact CD-CG2 3.41Å; Q261-V274 HydrophobicContact CG-CG2 4.03Å; V274-Y276 HydrophobicContact CG1-CD1 3.78Å; V274-Y276 HydrophobicContact CG1-CD2 4.43Å; V274-Y276 HydrophobicContact CG1-CE1 3.39Å; V274-Y276 HydrophobicContact CG1-CE2 4.09Å; V274-Y276 HydrophobicContact CG1-CG 4.29Å
275	L	98.4	Very high	93.1	Very high	13 Å²	13	38.9 Å²	38.9	7%	0.068	21%	0.213	C	C	.	.			trans	-128.5	95.1	170.3	180	60.7	0	0	0	107.6	Y184 M254 T255 V273 F487 W491	Y184-L275 HydrophobicContact CD2-CD2 4.38Å; Y184-L275 HydrophobicContact CE2-CB 4.07Å; Y184-L275 HydrophobicContact CE2-CD2 4.07Å; Y184-L275 HydrophobicContact CE2-CG 4.07Å; Y184-L275 VanDerWaalsContact CE2-O 3.27Å; Y184-L275 WeakPolarHBondContact CE2-O 3.47Å; Y184-L275 PolarHBondContact OH-O 3.39Å; M254-L275 HydrophobicContact CB-CB 4.29Å; M254-L275 HydrophobicContact CG-CB 4.44Å; M254-L275 HydrophobicContact CG-CD2 4.38Å; M254-L275 HydrophobicContact SD-CD2 3.53Å; M254-L275 VanDerWaalsContact SD-CD2 3.53Å; T255-L275 CarbonylContact O-C 3.49Å; T255-L275 PolarHBondContact O-N 2.88Å; V273-L275 PolarHBondContact O-N 3.42Å; L275-F487 HydrophobicContact CD1-CD2 4.1Å; L275-F487 HydrophobicContact CD2-CD2 4.03Å; L275-F487 HydrophobicContact CD2-CE2 3.86Å; L275-F487 HydrophobicContact CG-CD2 3.8Å; L275-F487 HydrophobicContact CG-CE2 4.04Å; L275-W491 HydrophobicContact CD2-CB 4.08Å; L275-W491 HydrophobicContact CD2-CE3 3.83Å
276	Y	98.1	Very high	91.6	Very high	52 Å²	52	38.1 Å²	38.1	20%	0.204	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-58.2	144.2	179.8	-58.6	-60.9	0	0	0	111.2	N256 V274 F397 D422 K481 F482 F487	N256-Y276 WeakPolarHBondContact O-CD1 3.38Å; V274-Y276 HydrophobicContact CG1-CD1 3.78Å; V274-Y276 HydrophobicContact CG1-CD2 4.43Å; V274-Y276 HydrophobicContact CG1-CE1 3.39Å; V274-Y276 HydrophobicContact CG1-CE2 4.09Å; V274-Y276 HydrophobicContact CG1-CG 4.29Å; Y276-F397 AromaticContact CD1-CD2 3.93Å; Y276-F397 HydrophobicContact CD1-CD2 3.93Å; Y276-F397 AromaticContact CD1-CE2 3.39Å; Y276-F397 HydrophobicContact CD1-CE2 3.39Å; Y276-F397 HydrophobicContact CD1-CZ 4.28Å; Y276-F397 HydrophobicContact CE1-CE2 4.14Å; Y276-F397 AromaticContact CG-CE2 3.99Å; Y276-F397 HydrophobicContact CG-CE2 3.99Å; Y276-F397 HydrophobicContact CG-CZ 4.48Å; Y276-D422 HydrophobicContact CE1-CB 3.8Å; Y276-D422 WeakPolarHBondContact CE1-OD1 3.41Å; Y276-D422 PolarHBondContact OH-OD1 3.3Å; Y276-K481 WeakPolarHBondContact CD2-O 3.44Å; Y276-F482 HydrophobicContact CD1-CD1 4.18Å; Y276-F482 AromaticContact CD1-CE1 3.89Å; Y276-F482 HydrophobicContact CD1-CE1 3.89Å; Y276-F482 AromaticContact CD2-CD1 3.67Å; Y276-F482 HydrophobicContact CD2-CD1 3.67Å; Y276-F482 AromaticContact CD2-CE1 3.64Å; Y276-F482 HydrophobicContact CD2-CE1 3.64Å; Y276-F482 HydrophobicContact CE1-CE1 4.06Å; Y276-F482 HydrophobicContact CE2-CD1 4.32Å; Y276-F482 AromaticContact CE2-CE1 3.83Å; Y276-F482 HydrophobicContact CE2-CE1 3.83Å; Y276-F482 AromaticContact CG-CD1 3.59Å; Y276-F482 HydrophobicContact CG-CD1 3.59Å; Y276-F482 AromaticContact CG-CE1 3.67Å; Y276-F482 HydrophobicContact CG-CE1 3.67Å; Y276-F487 VanDerWaalsContact O-CD2 3.25Å; Y276-F487 WeakPolarHBondContact O-CD2 3.29Å
277	P	97.3	Very high	89.8	Confident	3 Å²	3	41.6 Å²	41.6	2%	0.019	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-65.3	152.5	-178.2	29	-35.6	0	0	0	111.2	V62 Y184 N256 C279 F397 I399	V62-P277 HydrophobicContact CG2-CB 3.68Å; Y184-P277 WeakPolarHBondContact OH-CA 3.44Å; N256-P277 WeakPolarHBondContact O-CD 3.49Å; P277-C279 PolarHBondContact O-N 2.86Å; P277-C279 PolarHBondContact O-SG 3.16Å; P277-F397 HydrophobicContact CG-CB 4.5Å; P277-F397 HydrophobicContact CG-CD1 3.14Å; P277-F397 HydrophobicContact CG-CD2 4.45Å; P277-F397 HydrophobicContact CG-CE1 3.26Å; P277-F397 HydrophobicContact CG-CG 3.78Å; P277-F397 HydrophobicContact CG-CZ 4Å; P277-I399 HydrophobicContact CB-CD1 3.88Å; P277-I399 HydrophobicContact CB-CG1 4.08Å; P277-I399 HydrophobicContact CG-CD1 4.08Å; P277-I399 HydrophobicContact CG-CG1 3.72Å
278	P	95.4	Very high	88.1	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-68.1	124.6	-179.3	27.9	-30.1	0	0	0	109.6	R61 T65 E484 F487	R61-P278 VanDerWaalsContact CD-O 3.28Å; R61-P278 WeakPolarHBondContact CD-O 3.46Å; R61-P278 HydrophobicContact CG-CG 4.35Å; R61-P278 PolarHBondContact NE-O 2.7Å; T65-P278 HydrophobicContact CG2-CB 3.81Å; T65-P278 HydrophobicContact CG2-CG 3.89Å; T65-P278 WeakPolarHBondContact OG1-CG 3.46Å; P278-E484 HydrophobicContact CB-CB 4.37Å; P278-E484 HydrophobicContact CB-CG 4.13Å; P278-F487 HydrophobicContact CB-CB 3.78Å; P278-F487 HydrophobicContact CB-CD1 3.77Å; P278-F487 HydrophobicContact CB-CG 3.76Å; P278-F487 HydrophobicContact CG-CD1 3.84Å; P278-F487 HydrophobicContact CG-CD2 4.36Å; P278-F487 HydrophobicContact CG-CE1 4.11Å; P278-F487 HydrophobicContact CG-CG 3.97Å; P278-F487 HydrophobicContact CG-CZ 4.46Å
279	C	94	Very high	86.1	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-114.4	142.4	172.9	-55.3	0	0	0	0	109	P277 V281 V402 F482 E484	P277-C279 PolarHBondContact O-N 2.86Å; P277-C279 PolarHBondContact O-SG 3.16Å; C279-V281 HydrophobicContact CB-CG2 4.19Å; C279-V281 PolarHBondContact O-N 3.32Å; C279-V402 HydrophobicContact CB-CB 4.13Å; C279-V402 HydrophobicContact CB-CG1 3.53Å; C279-F482 VanDerWaalsContact CB-O 3.25Å; C279-F482 WeakPolarHBondContact CB-O 3.32Å; C279-F482 PolarHBondContact N-O 3.42Å; C279-E484 WeakPolarHBondContact O-CG 3.39Å; C279-E484 PolarHBondContact O-N 2.89Å; C279-E484 VanDerWaalsContact O-N 3.16Å
280	P	89.8	Confident	84.3	Confident	5 Å²	5	53.6 Å²	53.6	3%	0.032	30%	0.299	C	S	.	.			trans	-80.5	50.6	-170.2	31.8	-22.1	0	0	0	110.6	R61 E282 D283 L284 Y375 E403	R61-P280 VanDerWaalsContact CZ-CD 3.45Å; R61-P280 VanDerWaalsContact NH2-N 3.12Å; P280-E282 PolarHBondContact O-N 3.03Å; P280-D283 HydrophobicContact CB-CB 4.4Å; P280-D283 PolarHBondContact O-N 3.45Å; P280-D283 VanDerWaalsContact O-N 3.14Å; P280-L284 HydrophobicContact CG-CD1 3.79Å; P280-L284 HydrophobicContact CG-CG 4.19Å; P280-L284 VanDerWaalsContact O-CG 3.32Å; P280-L284 WeakPolarHBondContact O-CG 3.47Å; P280-L284 PolarHBondContact O-N 3.42Å; P280-L284 VanDerWaalsContact O-N 3.12Å; P280-Y375 WeakPolarHBondContact CG-OH 3.2Å; P280-E403 HydrophobicContact CG-CG 4.18Å
281	V	89.8	Confident	83	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-57.6	-40.7	-173.9	179.5	0	0	0	0	109.9	C279 D283 L284 E285 V402 A406 V478 R479	C279-V281 HydrophobicContact CB-CG2 4.19Å; C279-V281 PolarHBondContact O-N 3.32Å; V281-D283 PolarHBondContact O-N 2.77Å; V281-L284 PolarHBondContact O-N 3.14Å; V281-E285 VanDerWaalsContact O-CB 3.27Å; V281-E285 WeakPolarHBondContact O-CB 3.25Å; V281-E285 PolarHBondContact O-N 3.24Å; V281-V402 HydrophobicContact CG2-CG1 4.4Å; V281-A406 HydrophobicContact CB-CB 4.31Å; V281-A406 HydrophobicContact CG1-CB 4.1Å; V281-A406 HydrophobicContact CG2-CB 4.12Å; V281-V478 HydrophobicContact CG1-CG2 4.01Å; V281-V478 HydrophobicContact CG2-CB 4.34Å; V281-V478 HydrophobicContact CG2-CG2 4.14Å; V281-R479 HydrophobicContact CG1-CB 4.03Å; V281-R479 HydrophobicContact CG1-CG 4.48Å
282	E	86.7	Confident	82.3	Confident	96 Å²	96	53.6 Å²	53.6	45%	0.449	30%	0.297	S	S	.	.	H	α-helix	trans	-63.5	-35.4	-179.7	-61.6	85	170.2	0	0	113.3	P280 S483 E484 D485	P280-E282 PolarHBondContact O-N 3.03Å; E282-S483 WeakPolarHBondContact OE1-CB 3.35Å; E282-S483 PolarHBondContact OE1-OG 2.81Å; E282-E484 PolarHBondContact OE2-N 3.26Å; E282-D485 PolarHBondContact OE1-N 2.92Å
283	D	86	Confident	82	Confident	51 Å²	51	55.3 Å²	55.3	27%	0.273	30%	0.302	S	S	.	.	H	α-helix	trans	-81.5	-23.9	177.3	179.6	47.4	0	0	0	112.5	P280 V281 K287 Y375 K379	P280-D283 HydrophobicContact CB-CB 4.4Å; P280-D283 PolarHBondContact O-N 3.45Å; P280-D283 VanDerWaalsContact O-N 3.14Å; V281-D283 PolarHBondContact O-N 2.77Å; D283-K287 IonicContact OD1-NZ 3.8Å; D283-Y375 VanDerWaalsContact OD2-CE1 3.24Å; D283-Y375 WeakPolarHBondContact OD2-CE1 3.19Å; D283-Y375 PolarHBondContact OD2-OH 3.03Å; D283-K379 IonicContact OD1-NZ 2.76Å; D283-K379 PolarHBondContact OD1-NZ 3.23Å; D283-K379 VanDerWaalsContact OD2-CD 3.31Å; D283-K379 WeakPolarHBondContact OD2-CD 3.23Å; D283-K379 IonicContact OD2-NZ 2.89Å; D283-K379 PolarHBondContact OD2-NZ 3.12Å
284	L	86.9	Confident	81.7	Confident	3 Å²	3	57 Å²	57	2%	0.016	31%	0.305	C	S	.	.	H	α-helix	trans	-91.6	-36.3	-175.8	-66.9	176.2	0	0	0	113.6	P280 V281 L288 K379 F382 E403 A406	P280-L284 HydrophobicContact CG-CD1 3.79Å; P280-L284 HydrophobicContact CG-CG 4.19Å; P280-L284 VanDerWaalsContact O-CG 3.32Å; P280-L284 WeakPolarHBondContact O-CG 3.47Å; P280-L284 PolarHBondContact O-N 3.42Å; P280-L284 VanDerWaalsContact O-N 3.12Å; V281-L284 PolarHBondContact O-N 3.14Å; L284-L288 WeakPolarHBondContact O-CD1 3.2Å; L284-K379 HydrophobicContact CD2-CD 3.89Å; L284-K379 HydrophobicContact CD2-CG 3.8Å; L284-F382 HydrophobicContact CD2-CD2 4.3Å; L284-E403 HydrophobicContact CD1-CB 3.87Å; L284-E403 HydrophobicContact CD1-CG 4.02Å; L284-A406 HydrophobicContact CB-CB 4.08Å; L284-A406 HydrophobicContact CD1-CB 4.1Å
285	E	76.4	Confident	81.6	Confident	49 Å²	49	58.1 Å²	58.1	23%	0.229	31%	0.307	C	S	.	.	H	α-helix	trans	-67.6	-46.2	-170.8	174.5	168.1	-143.5	0	0	114.1	V281 K287 T475 R479	V281-E285 VanDerWaalsContact O-CB 3.27Å; V281-E285 WeakPolarHBondContact O-CB 3.25Å; V281-E285 PolarHBondContact O-N 3.24Å; E285-K287 VanDerWaalsContact C-N 3.32Å; E285-K287 PolarHBondContact O-N 2.69Å; E285-T475 HydrophobicContact CB-CG2 4.25Å; E285-T475 VanDerWaalsContact CD-CG2 3.49Å; E285-T475 HydrophobicContact CG-CG2 3.7Å; E285-T475 WeakPolarHBondContact OE1-CG2 3.47Å; E285-R479 IonicContact OE1-CZ 2.63Å; E285-R479 IonicContact OE1-NE 3.8Å; E285-R479 IonicContact OE1-NH1 2.95Å; E285-R479 PolarHBondContact OE1-NH1 2.83Å; E285-R479 IonicContact OE1-NH2 3.34Å; E285-R479 PolarHBondContact OE1-NH2 3.49Å; E285-R479 IonicContact OE2-CZ 3.54Å; E285-R479 IonicContact OE2-NE 3.32Å; E285-R479 PolarHBondContact OE2-NE 3.4Å; E285-R479 IonicContact OE2-NH1 2.74Å; E285-R479 IonicContact OE2-NH2 3.38Å; E285-R479 PolarHBondContact OE2-NH2 3.42Å
286	G	63	Low	81.5	Confident	74 Å²	74	59.5 Å²	59.5	76%	0.763	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-5.2	-165.3	0	0	0	0	0	116.4
287	K	56.1	Low	81.5	Confident	139 Å²	139	57 Å²	57	60%	0.604	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	-1	-166.7	-72.1	178.8	-179.9	163.8	0	115.5	D283 E285	D283-K287 IonicContact OD1-NZ 3.8Å; E285-K287 VanDerWaalsContact C-N 3.32Å; E285-K287 PolarHBondContact O-N 2.69Å
288	L	57.2	Low	81.6	Confident	23 Å²	23	56.9 Å²	56.9	12%	0.12	30%	0.301	C	S	.	.			trans	-124.8	-3.2	-157.4	-60.4	-179.3	0	0	0	116.8	L284 S290	L284-L288 WeakPolarHBondContact O-CD1 3.2Å; L288-S290 VanDerWaalsContact C-N 3.25Å; L288-S290 PolarHBondContact O-N 2.79Å
289	I	55.7	Low	81.7	Confident	169 Å²	169	57 Å²	57	87%	0.867	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-19.9	-178.6	-61.2	174.6	0	0	0	111.9
290	S	56.7	Low	81.8	Confident	113 Å²	113	57.8 Å²	57.8	79%	0.79	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-1.3	-172.8	57.5	0	0	0	0	115.9	L288	L288-S290 VanDerWaalsContact C-N 3.25Å; L288-S290 PolarHBondContact O-N 2.79Å
291	V	66.7	Low	81.9	Confident	63 Å²	63	58.2 Å²	58.2	38%	0.382	31%	0.312	S	S	.	.	S	Bend	trans	-99.3	125.5	-174.7	-173.6	0	0	0	0	110.2	R293 R384	V291-R293 PolarHBondContact O-N 3.12Å; V291-R384 HydrophobicContact CG1-CG 4.4Å
292	Q	81	Confident	82	Confident	170 Å²	170	60.5 Å²	60.5	79%	0.794	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-58.3	122.7	169	-175.7	177.3	10.6	0	0	109.2
293	R	90.1	Very high	82.3	Confident	44 Å²	44	56 Å²	56	17%	0.166	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-89.7	144.7	-179.5	-67.5	174.6	-177.3	-85.6	-2.9	110.7	V291 F382 R384 C385 S407 R471	V291-R293 PolarHBondContact O-N 3.12Å; R293-F382 PolarHBondContact NH1-O 3.22Å; R293-R384 CarbonylContact C-O 3.15Å; R293-R384 WeakPolarHBondContact CA-O 3.28Å; R293-C385 PolarHBondContact NH1-O 3.46Å; R293-S407 PolarHBondContact NH2-O 2.91Å; R293-R471 VanDerWaalsContact CD-NH2 3.28Å
294	F	93.2	Very high	82.6	Confident	93 Å²	93	56 Å²	56	41%	0.408	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-90.4	157.5	171.5	-57.6	-75.4	0	0	0	110.1	W296 R384 S386	F294-W296 HydrophobicContact CB-CB 4.44Å; F294-W296 HydrophobicContact CB-CD2 3.58Å; F294-W296 HydrophobicContact CB-CE3 4.22Å; F294-W296 HydrophobicContact CB-CG 3.67Å; F294-W296 HydrophobicContact CB-CZ2 4.19Å; F294-W296 HydrophobicContact CD1-CZ2 4.36Å; F294-W296 HydrophobicContact CD2-CD2 4.28Å; F294-W296 HydrophobicContact CD2-CE3 4.14Å; F294-W296 AromaticContact CD2-CH2 3.96Å; F294-W296 HydrophobicContact CD2-CH2 3.96Å; F294-W296 HydrophobicContact CD2-CZ2 4.08Å; F294-W296 AromaticContact CD2-CZ3 3.99Å; F294-W296 HydrophobicContact CD2-CZ3 3.99Å; F294-W296 HydrophobicContact CE2-CH2 4.29Å; F294-W296 HydrophobicContact CG-CD2 4.13Å; F294-W296 AromaticContact CG-CE2 3.85Å; F294-W296 HydrophobicContact CG-CE3 4.46Å; F294-W296 HydrophobicContact CG-CH2 4.31Å; F294-W296 AromaticContact CG-CZ2 3.94Å; F294-W296 HydrophobicContact CG-CZ2 3.94Å; F294-W296 PolarHBondContact O-N 3.09Å; F294-R384 HydrophobicContact CD2-CB 4.08Å; F294-R384 HydrophobicContact CE2-CB 4.38Å; F294-R384 HydrophobicContact CE2-CG 4.38Å; F294-R384 PolarHBondContact N-O 3.25Å; F294-S386 WeakPolarHBondContact O-CB 3.23Å; F294-S386 PolarHBondContact O-N 3.17Å; F294-S386 PolarHBondContact O-OG 3.13Å
295	K	94.4	Very high	82.8	Confident	61 Å²	61	60.6 Å²	60.6	27%	0.265	33%	0.328	S	S	.	.	S	Bend	trans	-74.1	48.1	173.8	-61.5	-171.7	-169.6	150.2	0	112.1	E333 F334 L459	K295-E333 HydrophobicContact CB-CG 4.41Å; K295-E333 HydrophobicContact CD-CG 4.24Å; K295-E333 VanDerWaalsContact CD-OE1 3.29Å; K295-E333 WeakPolarHBondContact CD-OE1 3.46Å; K295-E333 WeakPolarHBondContact CE-OE1 3.5Å; K295-E333 HydrophobicContact CG-CG 4.49Å; K295-E333 IonicContact NZ-OE1 3.87Å; K295-E333 PolarHBondContact NZ-OE1 3.49Å; K295-E333 IonicContact NZ-OE2 3.14Å; K295-E333 PolarHBondContact NZ-OE2 3.05Å; K295-F334 HydrophobicContact CB-CD1 3.85Å; K295-F334 HydrophobicContact CB-CE1 3.92Å; K295-F334 HydrophobicContact CD-CD1 4.35Å; K295-F334 HydrophobicContact CD-CE1 3.57Å; K295-F334 HydrophobicContact CD-CZ 4.1Å; K295-F334 HydrophobicContact CG-CE1 4.4Å; K295-L459 HydrophobicContact CB-CD2 4.15Å
296	W	96.8	Very high	83.5	Confident	41 Å²	41	63 Å²	63	16%	0.155	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	141.7	-179.4	-59	-8.3	0	0	0	110.4	F294 E333 K335 L337 C385 S386 V387	F294-W296 HydrophobicContact CB-CB 4.44Å; F294-W296 HydrophobicContact CB-CD2 3.58Å; F294-W296 HydrophobicContact CB-CE3 4.22Å; F294-W296 HydrophobicContact CB-CG 3.67Å; F294-W296 HydrophobicContact CB-CZ2 4.19Å; F294-W296 HydrophobicContact CD1-CZ2 4.36Å; F294-W296 HydrophobicContact CD2-CD2 4.28Å; F294-W296 HydrophobicContact CD2-CE3 4.14Å; F294-W296 AromaticContact CD2-CH2 3.96Å; F294-W296 HydrophobicContact CD2-CH2 3.96Å; F294-W296 HydrophobicContact CD2-CZ2 4.08Å; F294-W296 AromaticContact CD2-CZ3 3.99Å; F294-W296 HydrophobicContact CD2-CZ3 3.99Å; F294-W296 HydrophobicContact CE2-CH2 4.29Å; F294-W296 HydrophobicContact CG-CD2 4.13Å; F294-W296 AromaticContact CG-CE2 3.85Å; F294-W296 HydrophobicContact CG-CE3 4.46Å; F294-W296 HydrophobicContact CG-CH2 4.31Å; F294-W296 AromaticContact CG-CZ2 3.94Å; F294-W296 HydrophobicContact CG-CZ2 3.94Å; F294-W296 PolarHBondContact O-N 3.09Å; W296-E333 PolarHBondContact NE1-O 3.02Å; W296-K335 CarbonylContact C-O 3.41Å; W296-K335 WeakPolarHBondContact CA-O 3.31Å; W296-K335 HydrophobicContact CB-CB 4.38Å; W296-K335 HydrophobicContact CD2-CB 4.34Å; W296-K335 HydrophobicContact CD2-CD 4.3Å; W296-K335 HydrophobicContact CG-CB 3.87Å; W296-K335 HydrophobicContact CG-CG 4.45Å; W296-K335 HydrophobicContact CZ2-CD 4.03Å; W296-L337 HydrophobicContact CE3-CD1 3.89Å; W296-C385 HydrophobicContact CB-CB 4.36Å; W296-S386 PolarHBondContact O-N 2.93Å; W296-V387 PolarHBondContact O-N 3.37Å
297	I	98.5	Very high	85	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	124.6	176.1	-56.6	173.3	0	0	0	107.3	F316 K335 L336 L337 V387 L389 F455 L459	I297-F316 HydrophobicContact CD1-CD2 3.77Å; I297-F316 HydrophobicContact CD1-CE2 3.93Å; I297-K335 PolarHBondContact N-O 2.75Å; I297-L336 HydrophobicContact CB-CD1 4.02Å; I297-L336 HydrophobicContact CG2-CD1 3.77Å; I297-L336 CarbonylContact O-C 3.52Å; I297-L336 WeakPolarHBondContact O-CA 3.4Å; I297-L337 PolarHBondContact O-N 3.12Å; I297-V387 HydrophobicContact CB-CB 4.36Å; I297-V387 HydrophobicContact CG1-CB 4.03Å; I297-V387 HydrophobicContact CG1-CG1 4.3Å; I297-V387 HydrophobicContact CG1-CG2 4.5Å; I297-V387 HydrophobicContact CG2-CB 4.27Å; I297-V387 HydrophobicContact CG2-CG1 3.95Å; I297-L389 HydrophobicContact CG2-CB 3.61Å; I297-L389 HydrophobicContact CG2-CD2 3.9Å; I297-L389 HydrophobicContact CG2-CG 4.35Å; I297-F455 HydrophobicContact CD1-CB 4.47Å; I297-F455 HydrophobicContact CD1-CD1 3.81Å; I297-F455 HydrophobicContact CD1-CD2 4.01Å; I297-F455 HydrophobicContact CD1-CE1 3.98Å; I297-F455 HydrophobicContact CD1-CE2 4.17Å; I297-F455 HydrophobicContact CD1-CG 3.84Å; I297-F455 HydrophobicContact CD1-CZ 4.16Å; I297-L459 HydrophobicContact CD1-CD1 4.08Å; I297-L459 HydrophobicContact CG1-CD1 4.1Å
298	L	98.3	Very high	86.9	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	127.6	-180	178.7	65.2	0	0	0	109.5	V300 L337 I339 F382 C385 V387 N388 L389 L409	L298-V300 HydrophobicContact CD1-CG2 4.12Å; L298-V300 HydrophobicContact CD2-CG2 3.93Å; L298-V300 HydrophobicContact CG-CG2 3.81Å; L298-L337 HydrophobicContact CD1-CB 3.98Å; L298-I339 HydrophobicContact CD1-CB 4.47Å; L298-I339 HydrophobicContact CD1-CD1 3.47Å; L298-I339 VanDerWaalsContact CD1-CD1 3.47Å; L298-I339 HydrophobicContact CD1-CG1 3.65Å; L298-F382 HydrophobicContact CD2-CD1 3.49Å; L298-F382 VanDerWaalsContact CD2-CD1 3.49Å; L298-F382 HydrophobicContact CD2-CE1 3.69Å; L298-F382 HydrophobicContact CD2-CG 4.22Å; L298-C385 HydrophobicContact CB-CB 3.87Å; L298-V387 PolarHBondContact N-O 2.97Å; L298-N388 CarbonylContact O-C 3.5Å; L298-N388 WeakPolarHBondContact O-CA 3.46Å; L298-N388 PolarHBondContact O-OD1 2.83Å; L298-L389 PolarHBondContact O-N 2.8Å; L298-L409 HydrophobicContact CB-CD2 4.06Å; L298-L409 HydrophobicContact CD2-CD2 3.94Å
299	S	98.5	Very high	88.8	Confident	3 Å²	3	56 Å²	56	2%	0.021	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	123.6	166.2	166.3	0	0	0	0	109.3	Q312 L337 I339	S299-Q312 PolarHBondContact OG-NE2 3.19Å; S299-Q312 PolarHBondContact OG-OE1 2.82Å; S299-L337 PolarHBondContact N-O 2.83Å; S299-I339 PolarHBondContact O-N 2.84Å
300	V	96.1	Very high	90.8	Very high	16 Å²	16	52.6 Å²	52.6	10%	0.097	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	117.4	177.9	-175.1	0	0	0	0	110	L298 I339 L378 F382 S400	L298-V300 HydrophobicContact CD1-CG2 4.12Å; L298-V300 HydrophobicContact CD2-CG2 3.93Å; L298-V300 HydrophobicContact CG-CG2 3.81Å; V300-I339 WeakPolarHBondContact CA-O 3.17Å; V300-L378 HydrophobicContact CG1-CD1 4.34Å; V300-L378 HydrophobicContact CG1-CD2 4.12Å; V300-L378 HydrophobicContact CG2-CD1 3.78Å; V300-F382 HydrophobicContact CG2-CE1 4.04Å; V300-F382 HydrophobicContact CG2-CZ 3.89Å; V300-S400 VanDerWaalsContact O-CB 3.22Å; V300-S400 WeakPolarHBondContact O-CB 3.49Å; V300-S400 PolarHBondContact O-OG 2.97Å
301	G	91.8	Very high	92.8	Very high	15 Å²	15	48 Å²	48	16%	0.155	24%	0.236	C	C	.	.	S	Bend	trans	177.8	156.4	178	0	0	0	0	0	112.6	I339 G340	G301-I339 PolarHBondContact N-O 2.78Å; G301-G340 WeakPolarHBondContact O-CA 3.38Å
302	Q	91.3	Very high	94.3	Very high	48 Å²	48	45.2 Å²	45.2	22%	0.224	22%	0.219	C	C	.	.			trans	-58.6	143.8	175.5	-65.7	177.9	-14.3	0	0	111.1	R304 K307 H309	Q302-R304 VanDerWaalsContact C-N 3.32Å; Q302-R304 HydrophobicContact CB-CG 3.86Å; Q302-R304 PolarHBondContact O-N 3.2Å; Q302-K307 WeakPolarHBondContact O-CG 3.5Å; Q302-H309 PolarHBondContact O-CE1 3.25Å
303	F	94.2	Very high	95.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-74.1	89.5	175.4	-71	-73.8	0	0	0	110.1	H309 L338 G340 G341 V351 L354 F369 I371	F303-H309 AromaticContact CD1-CE1 3.99Å; F303-H309 AromaticContact CD1-NE2 3.92Å; F303-L338 HydrophobicContact CE1-CB 4.18Å; F303-L338 HydrophobicContact CZ-CB 4.3Å; F303-G340 WeakPolarHBondContact CE2-O 3.33Å; F303-G341 PolarHBondContact N-O 2.87Å; F303-V351 HydrophobicContact CB-CG2 3.68Å; F303-V351 HydrophobicContact CD1-CG2 3.64Å; F303-V351 HydrophobicContact CD2-CG2 3.58Å; F303-V351 HydrophobicContact CE1-CG2 4.12Å; F303-V351 HydrophobicContact CE2-CG2 4.06Å; F303-V351 HydrophobicContact CG-CG2 3.33Å; F303-V351 HydrophobicContact CZ-CG2 4.31Å; F303-L354 HydrophobicContact CD1-CD1 4.16Å; F303-F369 AromaticContact CE1-CD1 3.98Å; F303-F369 HydrophobicContact CE1-CD1 3.98Å; F303-F369 HydrophobicContact CE1-CE1 4.41Å; F303-F369 HydrophobicContact CZ-CD1 4.15Å; F303-I371 HydrophobicContact CE2-CG1 4.09Å
304	R	91.9	Very high	95.6	Very high	52 Å²	52	37.3 Å²	37.3	20%	0.196	19%	0.185	C	C	.	.			trans	-135.1	150.9	-178.5	-59	-76.2	171	157.4	-18	111.2	Q302 E306 K307 D347	Q302-R304 VanDerWaalsContact C-N 3.32Å; Q302-R304 HydrophobicContact CB-CG 3.86Å; Q302-R304 PolarHBondContact O-N 3.2Å; R304-E306 VanDerWaalsContact C-N 3.31Å; R304-E306 HydrophobicContact CB-CG 4.24Å; R304-E306 VanDerWaalsContact CB-OE1 3.29Å; R304-E306 WeakPolarHBondContact CB-OE1 3.14Å; R304-E306 WeakPolarHBondContact CB-OE2 3.41Å; R304-E306 PolarHBondContact O-N 3.37Å; R304-K307 HydrophobicContact CB-CG 4.23Å; R304-K307 WeakPolarHBondContact O-CB 3.19Å; R304-K307 PolarHBondContact O-N 3.32Å; R304-K307 VanDerWaalsContact O-N 3.14Å; R304-D347 WeakPolarHBondContact CD-OD1 3.48Å; R304-D347 IonicContact CZ-OD1 2.88Å; R304-D347 IonicContact CZ-OD2 2.96Å; R304-D347 IonicContact NE-OD1 2.79Å; R304-D347 PolarHBondContact NE-OD1 2.95Å; R304-D347 IonicContact NE-OD2 2.87Å; R304-D347 PolarHBondContact NE-OD2 3.11Å; R304-D347 IonicContact NH1-OD1 3.67Å; R304-D347 VanDerWaalsContact NH2-CG 3.32Å; R304-D347 IonicContact NH2-OD1 3.4Å; R304-D347 PolarHBondContact NH2-OD1 3.23Å; R304-D347 VanDerWaalsContact NH2-OD1 3.16Å; R304-D347 IonicContact NH2-OD2 3.32Å; R304-D347 PolarHBondContact NH2-OD2 3.39Å
305	P	92	Very high	95.8	Very high	99 Å²	99	32.9 Å²	32.9	64%	0.643	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	-57.8	-40.7	-179.8	-26.1	35.8	0	0	0	113.6	K307 N308 L350	P305-K307 PolarHBondContact O-N 2.99Å; P305-N308 PolarHBondContact O-N 3.03Å; P305-N308 VanDerWaalsContact O-N 3.07Å; P305-L350 HydrophobicContact CG-CD2 4.34Å
306	E	89.6	Confident	96	Very high	99 Å²	99	30 Å²	30	46%	0.463	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-63	-22.9	179.8	62.3	-87	-161.7	0	0	113.5	R304 N308 M392	R304-E306 VanDerWaalsContact C-N 3.31Å; R304-E306 HydrophobicContact CB-CG 4.24Å; R304-E306 VanDerWaalsContact CB-OE1 3.29Å; R304-E306 WeakPolarHBondContact CB-OE1 3.14Å; R304-E306 WeakPolarHBondContact CB-OE2 3.41Å; R304-E306 PolarHBondContact O-N 3.37Å; E306-N308 PolarHBondContact O-N 2.98Å; E306-M392 HydrophobicContact CB-CE 4.45Å; E306-M392 HydrophobicContact CG-CE 4.31Å; E306-M392 HydrophobicContact CG-SD 4.32Å; E306-M392 VanDerWaalsContact O-CG 3.31Å; E306-M392 WeakPolarHBondContact O-CG 3.4Å
307	K	94.2	Very high	96	Very high	36 Å²	36	31.2 Å²	31.2	16%	0.157	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-75.2	-5.9	176.8	-64.5	-62.2	-177.5	178.6	0	113.8	Q302 R304 P305 H309 T391 M392 E395	Q302-K307 WeakPolarHBondContact O-CG 3.5Å; R304-K307 HydrophobicContact CB-CG 4.23Å; R304-K307 WeakPolarHBondContact O-CB 3.19Å; R304-K307 PolarHBondContact O-N 3.32Å; R304-K307 VanDerWaalsContact O-N 3.14Å; P305-K307 PolarHBondContact O-N 2.99Å; K307-H309 VanDerWaalsContact C-N 3.33Å; K307-H309 VanDerWaalsContact CB-CE1 3.41Å; K307-H309 WeakPolarHBondContact CB-CE1 3.3Å; K307-H309 PolarHBondContact O-N 2.98Å; K307-T391 PolarHBondContact O-OG1 2.73Å; K307-T391 VanDerWaalsContact O-OG1 3.1Å; K307-M392 HydrophobicContact CD-CB 4.13Å; K307-M392 HydrophobicContact CD-CG 4.49Å; K307-M392 HydrophobicContact CD-SD 3.76Å; K307-M392 PolarHBondContact NZ-SD 2.65Å; K307-M392 VanDerWaalsContact NZ-SD 3.43Å; K307-E395 IonicContact NZ-OE2 2.82Å; K307-E395 PolarHBondContact NZ-OE2 3.23Å
308	N	96.1	Very high	95.9	Very high	47 Å²	47	33.2 Å²	33.2	25%	0.251	17%	0.17	S	C	.	.			trans	52.6	43.5	168.7	-159.5	5.5	0	0	0	114.6	P305 E306 E310 L311 Q312 T391	P305-N308 PolarHBondContact O-N 3.03Å; P305-N308 VanDerWaalsContact O-N 3.07Å; E306-N308 PolarHBondContact O-N 2.98Å; N308-E310 PolarHBondContact O-N 3.5Å; N308-E310 VanDerWaalsContact O-N 3.15Å; N308-L311 HydrophobicContact CB-CB 4.45Å; N308-L311 VanDerWaalsContact CG-CB 3.48Å; N308-L311 WeakPolarHBondContact ND2-CB 3.33Å; N308-L311 WeakPolarHBondContact ND2-CD2 3.35Å; N308-L311 WeakPolarHBondContact O-CB 3.12Å; N308-L311 PolarHBondContact O-N 3.35Å; N308-L311 WeakPolarHBondContact OD1-CB 3.42Å; N308-L311 PolarHBondContact OD1-N 3.2Å; N308-Q312 PolarHBondContact O-N 3.41Å; N308-T391 PolarHBondContact O-OG1 2.74Å
309	H	98.3	Very high	95.8	Very high	7 Å²	7	33.3 Å²	33.3	3%	0.032	17%	0.17	C	C	.	.	H	α-helix	trans	-56.6	-28.1	174.5	-60.6	94.3	0	0	0	112.8	Q302 F303 K307 L311 Q312 L313 L354	Q302-H309 PolarHBondContact O-CE1 3.25Å; F303-H309 AromaticContact CD1-CE1 3.99Å; F303-H309 AromaticContact CD1-NE2 3.92Å; K307-H309 VanDerWaalsContact C-N 3.33Å; K307-H309 VanDerWaalsContact CB-CE1 3.41Å; K307-H309 WeakPolarHBondContact CB-CE1 3.3Å; K307-H309 PolarHBondContact O-N 2.98Å; H309-L311 VanDerWaalsContact C-N 3.34Å; H309-L311 PolarHBondContact O-N 3.49Å; H309-Q312 WeakPolarHBondContact O-CB 3.24Å; H309-Q312 PolarHBondContact O-N 3.45Å; H309-Q312 VanDerWaalsContact O-N 3.11Å; H309-L313 WeakPolarHBondContact O-CG 3.39Å; H309-L313 PolarHBondContact O-N 2.86Å; H309-L354 HydrophobicContact CB-CD1 3.58Å; H309-L354 HydrophobicContact CB-CD2 3.66Å; H309-L354 HydrophobicContact CB-CG 4.28Å
310	E	98	Very high	95.5	Very high	97 Å²	97	34.3 Å²	34.3	45%	0.453	18%	0.175	S	C	.	.	H	α-helix	trans	-57.5	-44.4	173.3	176.1	164.6	-172.8	0	0	111.9	N308 Q312 L313 N314	N308-E310 PolarHBondContact O-N 3.5Å; N308-E310 VanDerWaalsContact O-N 3.15Å; E310-Q312 VanDerWaalsContact C-N 3.29Å; E310-Q312 PolarHBondContact O-N 3.45Å; E310-L313 PolarHBondContact O-N 2.9Å; E310-N314 WeakPolarHBondContact O-CB 3.33Å; E310-N314 PolarHBondContact O-N 3.49Å; E310-N314 PolarHBondContact O-ND2 2.85Å
311	L	98.4	Very high	95.4	Very high	18 Å²	18	35.3 Å²	35.3	9%	0.094	18%	0.183	C	C	.	.	H	α-helix	trans	-62.4	-36.9	174.4	177.4	58.4	0	0	0	112	N308 H309 N314 A315 T391 V448 Y451	N308-L311 HydrophobicContact CB-CB 4.45Å; N308-L311 VanDerWaalsContact CG-CB 3.48Å; N308-L311 WeakPolarHBondContact ND2-CB 3.33Å; N308-L311 WeakPolarHBondContact ND2-CD2 3.35Å; N308-L311 WeakPolarHBondContact O-CB 3.12Å; N308-L311 PolarHBondContact O-N 3.35Å; N308-L311 WeakPolarHBondContact OD1-CB 3.42Å; N308-L311 PolarHBondContact OD1-N 3.2Å; H309-L311 VanDerWaalsContact C-N 3.34Å; H309-L311 PolarHBondContact O-N 3.49Å; L311-N314 PolarHBondContact O-N 3.29Å; L311-A315 VanDerWaalsContact O-CB 3.22Å; L311-A315 WeakPolarHBondContact O-CB 3.48Å; L311-A315 PolarHBondContact O-N 3.34Å; L311-T391 HydrophobicContact CB-CG2 4.37Å; L311-T391 HydrophobicContact CD2-CG2 3.98Å; L311-T391 HydrophobicContact CG-CG2 4.02Å; L311-V448 HydrophobicContact CD1-CB 4.47Å; L311-V448 HydrophobicContact CD1-CG2 3.51Å; L311-Y451 HydrophobicContact CD2-CD2 4.3Å; L311-Y451 HydrophobicContact CD2-CE2 3.85Å; L311-Y451 HydrophobicContact CG-CD2 4.42Å; L311-Y451 HydrophobicContact CG-CE2 4.39Å
312	Q	98.6	Very high	95.3	Very high	3 Å²	3	39.3 Å²	39.3	1%	0.014	19%	0.193	C	C	.	.	H	α-helix	trans	-63.6	-47.9	177.7	-53.2	179	21.4	0	0	111.3	S299 N308 H309 E310 A315 F316 L336 L389 T391	S299-Q312 PolarHBondContact OG-NE2 3.19Å; S299-Q312 PolarHBondContact OG-OE1 2.82Å; N308-Q312 PolarHBondContact O-N 3.41Å; H309-Q312 WeakPolarHBondContact O-CB 3.24Å; H309-Q312 PolarHBondContact O-N 3.45Å; H309-Q312 VanDerWaalsContact O-N 3.11Å; E310-Q312 VanDerWaalsContact C-N 3.29Å; E310-Q312 PolarHBondContact O-N 3.45Å; Q312-A315 PolarHBondContact O-N 3.31Å; Q312-F316 VanDerWaalsContact O-CB 3.32Å; Q312-F316 WeakPolarHBondContact O-CB 3.48Å; Q312-F316 PolarHBondContact O-N 3.38Å; Q312-L336 HydrophobicContact CB-CD2 4.44Å; Q312-L389 HydrophobicContact CB-CD2 3.81Å; Q312-L389 HydrophobicContact CG-CD2 3.84Å; Q312-L389 HydrophobicContact CG-CG 4.31Å; Q312-T391 HydrophobicContact CG-CG2 3.55Å; Q312-T391 WeakPolarHBondContact CG-OG1 3.45Å; Q312-T391 PolarHBondContact NE2-OG1 2.76Å
313	L	98.6	Very high	94.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.6	-45.3	177	-66.8	176.2	0	0	0	111.4	H309 E310 F316 H317 L336 L338 L354 Q357 A358 L361 L363 V367	H309-L313 WeakPolarHBondContact O-CG 3.39Å; H309-L313 PolarHBondContact O-N 2.86Å; E310-L313 PolarHBondContact O-N 2.9Å; L313-F316 PolarHBondContact O-N 3.05Å; L313-H317 VanDerWaalsContact O-CB 3.31Å; L313-H317 WeakPolarHBondContact O-CB 3.45Å; L313-H317 PolarHBondContact O-N 3.13Å; L313-L336 HydrophobicContact CD2-CD2 4.24Å; L313-L338 HydrophobicContact CD2-CD1 4.14Å; L313-L354 HydrophobicContact CD1-CB 4.44Å; L313-L354 HydrophobicContact CD1-CD2 4Å; L313-Q357 HydrophobicContact CD1-CB 4.17Å; L313-Q357 HydrophobicContact CD1-CG 4.14Å; L313-A358 HydrophobicContact CD1-CB 4.44Å; L313-A358 HydrophobicContact CD2-CB 4.06Å; L313-L361 HydrophobicContact CB-CD1 4.02Å; L313-L363 HydrophobicContact CD2-CD1 4.36Å; L313-V367 HydrophobicContact CD2-CG1 3.93Å; L313-V367 HydrophobicContact CD2-CG2 4.08Å
314	N	98.6	Very high	93.5	Very high	48 Å²	48	45.6 Å²	45.6	26%	0.257	22%	0.22	S	C	.	.	H	α-helix	trans	-66.1	-43.3	-179.8	-69.6	-24.2	0	0	0	111.9	E310 L311 H318 Q357 V448	E310-N314 WeakPolarHBondContact O-CB 3.33Å; E310-N314 PolarHBondContact O-N 3.49Å; E310-N314 PolarHBondContact O-ND2 2.85Å; L311-N314 PolarHBondContact O-N 3.29Å; N314-H318 WeakPolarHBondContact O-CB 3.5Å; N314-H318 PolarHBondContact O-N 3.28Å; N314-Q357 PolarHBondContact OD1-NE2 3.46Å; N314-V448 HydrophobicContact CB-CG2 3.99Å
315	A	98.5	Very high	91.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.7	-42.7	175.4	0	0	0	0	0	112.2	L311 Q312 H318 F319 Y451 F455	L311-A315 VanDerWaalsContact O-CB 3.22Å; L311-A315 WeakPolarHBondContact O-CB 3.48Å; L311-A315 PolarHBondContact O-N 3.34Å; Q312-A315 PolarHBondContact O-N 3.31Å; A315-H318 PolarHBondContact O-N 2.96Å; A315-F319 WeakPolarHBondContact O-CB 3.48Å; A315-F319 PolarHBondContact O-N 2.8Å; A315-Y451 HydrophobicContact CB-CG 4.38Å; A315-F455 HydrophobicContact CB-CE2 3.82Å; A315-F455 HydrophobicContact CB-CZ 4.33Å
316	F	97.9	Very high	90.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-69.2	-43.3	179	-172.2	-118.3	0	0	0	112.3	I297 Q312 L313 H318 F319 L320 F334 L336 L363 V367	I297-F316 HydrophobicContact CD1-CD2 3.77Å; I297-F316 HydrophobicContact CD1-CE2 3.93Å; Q312-F316 VanDerWaalsContact O-CB 3.32Å; Q312-F316 WeakPolarHBondContact O-CB 3.48Å; Q312-F316 PolarHBondContact O-N 3.38Å; L313-F316 PolarHBondContact O-N 3.05Å; F316-H318 VanDerWaalsContact C-N 3.28Å; F316-H318 PolarHBondContact O-N 3.39Å; F316-F319 HydrophobicContact CD2-CD1 4.1Å; F316-F319 HydrophobicContact CE2-CD1 4.13Å; F316-F319 HydrophobicContact CE2-CE1 4.36Å; F316-F319 PolarHBondContact O-N 2.95Å; F316-L320 HydrophobicContact CD1-CD1 4.07Å; F316-L320 HydrophobicContact CE1-CD1 3.6Å; F316-L320 HydrophobicContact CE1-CG 4.35Å; F316-L320 HydrophobicContact CE2-CD1 4.43Å; F316-L320 HydrophobicContact CE2-CG 4.36Å; F316-L320 HydrophobicContact CZ-CD1 3.8Å; F316-L320 HydrophobicContact CZ-CD2 4.37Å; F316-L320 HydrophobicContact CZ-CG 4.2Å; F316-L320 WeakPolarHBondContact O-CG 3.21Å; F316-L320 PolarHBondContact O-N 3.07Å; F316-F334 HydrophobicContact CE2-CB 4.32Å; F316-F334 HydrophobicContact CZ-CB 4.2Å; F316-L336 HydrophobicContact CB-CD2 3.86Å; F316-L336 HydrophobicContact CD1-CB 3.69Å; F316-L336 HydrophobicContact CD1-CD2 4.09Å; F316-L336 HydrophobicContact CD2-CB 4.22Å; F316-L336 HydrophobicContact CE1-CB 3.74Å; F316-L336 HydrophobicContact CE2-CB 4.27Å; F316-L336 HydrophobicContact CG-CB 3.94Å; F316-L336 HydrophobicContact CG-CD2 4.04Å; F316-L336 HydrophobicContact CZ-CB 4.03Å; F316-L363 HydrophobicContact CD1-CD1 4.27Å; F316-L363 HydrophobicContact CD1-CD2 4.1Å; F316-L363 HydrophobicContact CE1-CD2 4.4Å; F316-V367 HydrophobicContact CD1-CG2 4.04Å; F316-V367 HydrophobicContact CE1-CG2 4.17Å
317	H	96.8	Very high	88.5	Confident	68 Å²	68	48.5 Å²	48.5	32%	0.315	24%	0.243	S	C	.	.	H	α-helix	trans	-54.9	-47.3	171.2	176	78.4	0	0	0	111.4	L313 L320 S321 L361 L363	L313-H317 VanDerWaalsContact O-CB 3.31Å; L313-H317 WeakPolarHBondContact O-CB 3.45Å; L313-H317 PolarHBondContact O-N 3.13Å; H317-L320 PolarHBondContact O-N 3.07Å; H317-S321 WeakPolarHBondContact O-CB 3.38Å; H317-S321 PolarHBondContact O-N 3.39Å; H317-L361 HydrophobicContact CB-CB 4.41Å; H317-L361 HydrophobicContact CB-CD1 4.3Å; H317-L361 HydrophobicContact CB-CD2 4.43Å; H317-L361 PolarHBondContact CE1-O 3.39Å; H317-L361 PolarHBondContact ND1-O 3.2Å; H317-L363 HydrophobicContact CB-CD1 4.07Å; H317-L363 HydrophobicContact CB-CD2 4.36Å; H317-L363 HydrophobicContact CB-CG 4.47Å
318	H	96.3	Very high	86.7	Confident	42 Å²	42	50.7 Å²	50.7	19%	0.194	26%	0.263	C	S	.	.	H	α-helix	trans	-64.6	-43.6	-177.7	-177.9	-131.2	0	0	0	112.4	N314 A315 F316 S321 R322 V448 D449 A452	N314-H318 WeakPolarHBondContact O-CB 3.5Å; N314-H318 PolarHBondContact O-N 3.28Å; A315-H318 PolarHBondContact O-N 2.96Å; F316-H318 VanDerWaalsContact C-N 3.28Å; F316-H318 PolarHBondContact O-N 3.39Å; H318-S321 PolarHBondContact O-N 3.25Å; H318-S321 PolarHBondContact O-OG 2.8Å; H318-R322 PolarHBondContact CE1-NE 2.94Å; H318-R322 PolarHBondContact CE1-NH2 3.34Å; H318-R322 PolarHBondContact NE2-NE 3.11Å; H318-R322 PolarHBondContact NE2-NH2 3.18Å; H318-R322 VanDerWaalsContact NE2-NH2 3.15Å; H318-R322 WeakPolarHBondContact O-CG 3.32Å; H318-R322 PolarHBondContact O-N 3.01Å; H318-V448 HydrophobicContact CB-CG1 3.74Å; H318-D449 IonicContact CE1-OD1 3.63Å; H318-D449 PolarHBondContact CE1-OD1 3.34Å; H318-D449 IonicContact NE2-OD1 3.93Å; H318-A452 HydrophobicContact CB-CB 4.39Å; H318-A452 WeakPolarHBondContact ND1-CB 3.31Å
319	F	95.5	Very high	85	Confident	1 Å²	1	54.5 Å²	54.5	0%	0.004	28%	0.284	C	S	.	.	H	α-helix	trans	-54.2	-55.2	169.9	162.1	-109.3	0	0	0	111.9	A315 F316 S321 R322 H323 F334 A452 F455 E456 L459 L460	A315-F319 WeakPolarHBondContact O-CB 3.48Å; A315-F319 PolarHBondContact O-N 2.8Å; F316-F319 HydrophobicContact CD2-CD1 4.1Å; F316-F319 HydrophobicContact CE2-CD1 4.13Å; F316-F319 HydrophobicContact CE2-CE1 4.36Å; F316-F319 PolarHBondContact O-N 2.95Å; F319-S321 VanDerWaalsContact C-N 3.26Å; F319-S321 PolarHBondContact O-N 3.09Å; F319-R322 PolarHBondContact O-N 2.76Å; F319-H323 AromaticContact CD2-CD2 3.64Å; F319-H323 AromaticContact CD2-NE2 3.8Å; F319-H323 AromaticContact CE2-CD2 3.42Å; F319-H323 VanDerWaalsContact CE2-CD2 3.42Å; F319-H323 WeakPolarHBondContact CE2-CD2 3.31Å; F319-H323 AromaticContact CE2-NE2 3.58Å; F319-H323 PolarHBondContact O-CD2 3.18Å; F319-F334 HydrophobicContact CE1-CB 4.34Å; F319-F334 AromaticContact CE1-CD1 3.91Å; F319-F334 HydrophobicContact CE1-CD1 3.91Å; F319-F334 HydrophobicContact CE1-CD2 4.43Å; F319-F334 HydrophobicContact CE1-CE1 4.37Å; F319-F334 AromaticContact CE1-CG 3.95Å; F319-F334 HydrophobicContact CE1-CG 3.95Å; F319-F334 AromaticContact CZ-CD1 3.93Å; F319-F334 HydrophobicContact CZ-CD1 3.93Å; F319-F334 AromaticContact CZ-CE1 3.93Å; F319-F334 HydrophobicContact CZ-CE1 3.93Å; F319-F334 HydrophobicContact CZ-CG 4.29Å; F319-F334 HydrophobicContact CZ-CZ 4.31Å; F319-A452 HydrophobicContact CB-CB 4.1Å; F319-F455 HydrophobicContact CB-CB 4.34Å; F319-F455 HydrophobicContact CB-CD2 3.9Å; F319-F455 HydrophobicContact CD1-CB 4.39Å; F319-F455 HydrophobicContact CD2-CB 3.81Å; F319-F455 HydrophobicContact CE2-CB 4.22Å; F319-F455 HydrophobicContact CG-CB 3.92Å; F319-F455 HydrophobicContact CG-CD2 4.22Å; F319-E456 HydrophobicContact CD2-CB 4.26Å; F319-E456 HydrophobicContact CE2-CB 4.24Å; F319-L459 HydrophobicContact CE1-CD1 4.31Å; F319-L459 HydrophobicContact CZ-CD1 4.15Å; F319-L460 HydrophobicContact CE2-CD1 4.08Å; F319-L460 HydrophobicContact CZ-CD1 4.43Å
320	L	93.6	Very high	83.2	Confident	24 Å²	24	58.7 Å²	58.7	13%	0.126	30%	0.303	C	S	.	.	H	α-helix	trans	-62.5	-32.9	-179.6	-68	-179.1	0	0	0	113.1	F316 H317 R322 H323 K324 F334 L363 T366	F316-L320 HydrophobicContact CD1-CD1 4.07Å; F316-L320 HydrophobicContact CE1-CD1 3.6Å; F316-L320 HydrophobicContact CE1-CG 4.35Å; F316-L320 HydrophobicContact CE2-CD1 4.43Å; F316-L320 HydrophobicContact CE2-CG 4.36Å; F316-L320 HydrophobicContact CZ-CD1 3.8Å; F316-L320 HydrophobicContact CZ-CD2 4.37Å; F316-L320 HydrophobicContact CZ-CG 4.2Å; F316-L320 WeakPolarHBondContact O-CG 3.21Å; F316-L320 PolarHBondContact O-N 3.07Å; H317-L320 PolarHBondContact O-N 3.07Å; L320-R322 VanDerWaalsContact C-N 3.27Å; L320-R322 PolarHBondContact O-N 2.52Å; L320-H323 CarbonylContact O-C 3.58Å; L320-H323 PolarHBondContact O-N 3.44Å; L320-K324 PolarHBondContact O-N 3.44Å; L320-F334 HydrophobicContact CD2-CB 4.01Å; L320-F334 HydrophobicContact CD2-CD2 4.09Å; L320-F334 HydrophobicContact CD2-CG 4.28Å; L320-L363 HydrophobicContact CD1-CD2 3.73Å; L320-T366 HydrophobicContact CD1-CG2 4.49Å
321	S	92.2	Very high	81.3	Confident	37 Å²	37	57.8 Å²	57.8	26%	0.259	30%	0.298	S	S	.	.	H	α-helix	trans	-64.9	-30.6	-179.7	79.5	0	0	0	0	113.2	H317 H318 F319 K324	H317-S321 WeakPolarHBondContact O-CB 3.38Å; H317-S321 PolarHBondContact O-N 3.39Å; H318-S321 PolarHBondContact O-N 3.25Å; H318-S321 PolarHBondContact O-OG 2.8Å; F319-S321 VanDerWaalsContact C-N 3.26Å; F319-S321 PolarHBondContact O-N 3.09Å; S321-K324 WeakPolarHBondContact O-CD 3Å; S321-K324 WeakPolarHBondContact O-CG 3.05Å
322	R	90.3	Very high	79.9	Confident	100 Å²	100	62.5 Å²	62.5	38%	0.377	32%	0.319	S	S	.	.	H	α-helix	trans	-78.3	-21.2	177.9	-67.8	171.7	174.5	-171.5	-9.3	112.6	H318 F319 L320 D449 N453	H318-R322 PolarHBondContact CE1-NE 2.94Å; H318-R322 PolarHBondContact CE1-NH2 3.34Å; H318-R322 PolarHBondContact NE2-NE 3.11Å; H318-R322 PolarHBondContact NE2-NH2 3.18Å; H318-R322 VanDerWaalsContact NE2-NH2 3.15Å; H318-R322 WeakPolarHBondContact O-CG 3.32Å; H318-R322 PolarHBondContact O-N 3.01Å; F319-R322 PolarHBondContact O-N 2.76Å; L320-R322 VanDerWaalsContact C-N 3.27Å; L320-R322 PolarHBondContact O-N 2.52Å; R322-D449 IonicContact NH2-OD1 3.35Å; R322-D449 PolarHBondContact NH2-OD1 2.98Å; R322-N453 PolarHBondContact NH1-OD1 2.81Å
323	H	81.9	Confident	79.3	Confident	43 Å²	43	66.1 Å²	66.1	20%	0.199	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	27.1	179.7	-59.9	-65	0	0	0	112.9	F319 L320 S325 A326 E456 L460	F319-H323 AromaticContact CD2-CD2 3.64Å; F319-H323 AromaticContact CD2-NE2 3.8Å; F319-H323 AromaticContact CE2-CD2 3.42Å; F319-H323 VanDerWaalsContact CE2-CD2 3.42Å; F319-H323 WeakPolarHBondContact CE2-CD2 3.31Å; F319-H323 AromaticContact CE2-NE2 3.58Å; F319-H323 PolarHBondContact O-CD2 3.18Å; L320-H323 CarbonylContact O-C 3.58Å; L320-H323 PolarHBondContact O-N 3.44Å; H323-S325 PolarHBondContact O-N 3.22Å; H323-A326 WeakPolarHBondContact O-CB 3.24Å; H323-A326 PolarHBondContact O-N 3.47Å; H323-E456 IonicContact CE1-OE1 3.99Å; H323-L460 VanDerWaalsContact CE1-CD1 3.4Å; H323-L460 WeakPolarHBondContact CE1-CD1 3.07Å; H323-L460 WeakPolarHBondContact NE2-CD1 3.19Å
324	K	66.6	Low	79.1	Confident	136 Å²	136	66.6 Å²	66.6	59%	0.591	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-24	179.3	-82.9	174.8	-179.5	172.9	0	114.8	L320 S321 A326	L320-K324 PolarHBondContact O-N 3.44Å; S321-K324 WeakPolarHBondContact O-CD 3Å; S321-K324 WeakPolarHBondContact O-CG 3.05Å; K324-A326 VanDerWaalsContact C-N 3.26Å; K324-A326 PolarHBondContact O-N 2.82Å
325	S	55	Low	79	Confident	127 Å²	127	66.6 Å²	66.6	89%	0.888	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-8.6	-179.7	-50.9	0	0	0	0	113.9	H323	H323-S325 PolarHBondContact O-N 3.22Å
326	A	56.2	Low	79	Confident	25 Å²	25	66.6 Å²	66.6	21%	0.207	34%	0.336	C	S	.	.	S	Bend	trans	-62.3	137.8	167.1	0	0	0	0	0	109.6	H323 K324 E330	H323-A326 WeakPolarHBondContact O-CB 3.24Å; H323-A326 PolarHBondContact O-N 3.47Å; K324-A326 VanDerWaalsContact C-N 3.26Å; K324-A326 PolarHBondContact O-N 2.82Å; A326-E330 VanDerWaalsContact CA-OE2 3.3Å; A326-E330 WeakPolarHBondContact CA-OE2 3.28Å; A326-E330 HydrophobicContact CB-CB 3.89Å; A326-E330 WeakPolarHBondContact CB-OE2 3.31Å
327	K	57.6	Low	79	Confident	159 Å²	159	66.6 Å²	66.6	69%	0.691	34%	0.336	S	S	*	.			trans	-52.9	150.9	177.2	-70.4	178.6	179	176.2	0	109.7	D329 E330	K327-D329 PolarHBondContact O-N 2.8Å; K327-E330 WeakPolarHBondContact O-CB 3.37Å; K327-E330 PolarHBondContact O-N 3.26Å
328	S	56.7	Low	79.1	Confident	82 Å²	82	63.4 Å²	63.4	57%	0.573	32%	0.321	S	S	*	.	H	α-helix	trans	-49.6	-32	-178.2	50.9	0	0	0	0	113.9	K331 H332	S328-K331 PolarHBondContact O-N 3.16Å; S328-H332 PolarHBondContact O-ND1 3.38Å
329	D	58.8	Low	79.1	Confident	128 Å²	128	61.8 Å²	61.8	68%	0.684	31%	0.314	S	S	*	.	H	α-helix	trans	-72.9	-28.9	-179	-55	-18.1	0	0	0	112.3	K327	K327-D329 PolarHBondContact O-N 2.8Å
330	E	61.3	Low	79	Confident	94 Å²	94	62.1 Å²	62.1	44%	0.439	32%	0.317	S	S	.	.	H	α-helix	trans	-72.9	-26.9	177.5	-71.1	173.2	-165.8	0	0	112.2	A326 K327 H332 E333	A326-E330 VanDerWaalsContact CA-OE2 3.3Å; A326-E330 WeakPolarHBondContact CA-OE2 3.28Å; A326-E330 HydrophobicContact CB-CB 3.89Å; A326-E330 WeakPolarHBondContact CB-OE2 3.31Å; K327-E330 WeakPolarHBondContact O-CB 3.37Å; K327-E330 PolarHBondContact O-N 3.26Å; E330-H332 VanDerWaalsContact C-N 3.28Å; E330-H332 PolarHBondContact O-N 3.18Å; E330-E333 WeakPolarHBondContact O-CB 3.38Å; E330-E333 PolarHBondContact O-N 3.42Å
331	K	58.3	Low	78.8	Confident	79 Å²	79	62 Å²	62	34%	0.343	32%	0.322	S	S	.	.	H	α-helix	trans	-66.2	-30.8	177.6	-74.6	-174.7	-178.6	171.1	0	113.3	S328 E333 F334	S328-K331 PolarHBondContact O-N 3.16Å; K331-E333 PolarHBondContact O-N 3.45Å; K331-F334 PolarHBondContact O-N 2.95Å
332	H	67.9	Low	78.7	Confident	116 Å²	116	60.6 Å²	60.6	54%	0.537	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-9.1	179	-66.2	83.7	0	0	0	112.6	S328 E330 F334	S328-H332 PolarHBondContact O-ND1 3.38Å; E330-H332 VanDerWaalsContact C-N 3.28Å; E330-H332 PolarHBondContact O-N 3.18Å; H332-F334 VanDerWaalsContact C-N 3.35Å
333	E	87.3	Confident	78.4	Confident	79 Å²	79	61.2 Å²	61.2	37%	0.369	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-34.3	174.9	-163.1	-174.4	-176.3	0	0	111.7	K295 W296 E330 K331	K295-E333 HydrophobicContact CB-CG 4.41Å; K295-E333 HydrophobicContact CD-CG 4.24Å; K295-E333 VanDerWaalsContact CD-OE1 3.29Å; K295-E333 WeakPolarHBondContact CD-OE1 3.46Å; K295-E333 WeakPolarHBondContact CE-OE1 3.5Å; K295-E333 HydrophobicContact CG-CG 4.49Å; K295-E333 IonicContact NZ-OE1 3.87Å; K295-E333 PolarHBondContact NZ-OE1 3.49Å; K295-E333 IonicContact NZ-OE2 3.14Å; K295-E333 PolarHBondContact NZ-OE2 3.05Å; W296-E333 PolarHBondContact NE1-O 3.02Å; E330-E333 WeakPolarHBondContact O-CB 3.38Å; E330-E333 PolarHBondContact O-N 3.42Å; K331-E333 PolarHBondContact O-N 3.45Å
334	F	93.9	Very high	78.5	Confident	10 Å²	10	62.2 Å²	62.2	4%	0.044	32%	0.321	C	S	.	.			trans	-92.3	128.2	-177.8	-53.9	-73.6	0	0	0	111.4	K295 F316 F319 L320 K331 H332 L459 L460	K295-F334 HydrophobicContact CB-CD1 3.85Å; K295-F334 HydrophobicContact CB-CE1 3.92Å; K295-F334 HydrophobicContact CD-CD1 4.35Å; K295-F334 HydrophobicContact CD-CE1 3.57Å; K295-F334 HydrophobicContact CD-CZ 4.1Å; K295-F334 HydrophobicContact CG-CE1 4.4Å; F316-F334 HydrophobicContact CE2-CB 4.32Å; F316-F334 HydrophobicContact CZ-CB 4.2Å; F319-F334 HydrophobicContact CE1-CB 4.34Å; F319-F334 AromaticContact CE1-CD1 3.91Å; F319-F334 HydrophobicContact CE1-CD1 3.91Å; F319-F334 HydrophobicContact CE1-CD2 4.43Å; F319-F334 HydrophobicContact CE1-CE1 4.37Å; F319-F334 AromaticContact CE1-CG 3.95Å; F319-F334 HydrophobicContact CE1-CG 3.95Å; F319-F334 AromaticContact CZ-CD1 3.93Å; F319-F334 HydrophobicContact CZ-CD1 3.93Å; F319-F334 AromaticContact CZ-CE1 3.93Å; F319-F334 HydrophobicContact CZ-CE1 3.93Å; F319-F334 HydrophobicContact CZ-CG 4.29Å; F319-F334 HydrophobicContact CZ-CZ 4.31Å; L320-F334 HydrophobicContact CD2-CB 4.01Å; L320-F334 HydrophobicContact CD2-CD2 4.09Å; L320-F334 HydrophobicContact CD2-CG 4.28Å; K331-F334 PolarHBondContact O-N 2.95Å; H332-F334 VanDerWaalsContact C-N 3.35Å; F334-L459 HydrophobicContact CD1-CD1 4.03Å; F334-L459 HydrophobicContact CE1-CB 4.11Å; F334-L459 HydrophobicContact CE1-CD1 4.33Å; F334-L460 HydrophobicContact CE1-CD2 4.23Å; F334-L460 HydrophobicContact CZ-CD2 3.74Å; F334-L460 HydrophobicContact CZ-CG 4.49Å
335	K	96.6	Very high	79.7	Confident	49 Å²	49	62.4 Å²	62.4	21%	0.213	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	148.2	173	-64.5	-171	172.6	-169.3	0	111.9	W296 I297 L337 T366 E368	W296-K335 CarbonylContact C-O 3.41Å; W296-K335 WeakPolarHBondContact CA-O 3.31Å; W296-K335 HydrophobicContact CB-CB 4.38Å; W296-K335 HydrophobicContact CD2-CB 4.34Å; W296-K335 HydrophobicContact CD2-CD 4.3Å; W296-K335 HydrophobicContact CG-CB 3.87Å; W296-K335 HydrophobicContact CG-CG 4.45Å; W296-K335 HydrophobicContact CZ2-CD 4.03Å; I297-K335 PolarHBondContact N-O 2.75Å; K335-L337 HydrophobicContact CB-CD2 4.39Å; K335-T366 CarbonylContact C-O 3.59Å; K335-T366 VanDerWaalsContact CA-O 3.25Å; K335-T366 WeakPolarHBondContact CA-O 3.32Å; K335-E368 IonicContact NZ-OE1 2.87Å; K335-E368 PolarHBondContact NZ-OE1 2.84Å
336	L	98.4	Very high	81.4	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	114.6	166.7	173.3	63	0	0	0	109	I297 Q312 L313 F316 L338 T366 V367 E368 L389	I297-L336 HydrophobicContact CB-CD1 4.02Å; I297-L336 HydrophobicContact CG2-CD1 3.77Å; I297-L336 CarbonylContact O-C 3.52Å; I297-L336 WeakPolarHBondContact O-CA 3.4Å; Q312-L336 HydrophobicContact CB-CD2 4.44Å; L313-L336 HydrophobicContact CD2-CD2 4.24Å; F316-L336 HydrophobicContact CB-CD2 3.86Å; F316-L336 HydrophobicContact CD1-CB 3.69Å; F316-L336 HydrophobicContact CD1-CD2 4.09Å; F316-L336 HydrophobicContact CD2-CB 4.22Å; F316-L336 HydrophobicContact CE1-CB 3.74Å; F316-L336 HydrophobicContact CE2-CB 4.27Å; F316-L336 HydrophobicContact CG-CB 3.94Å; F316-L336 HydrophobicContact CG-CD2 4.04Å; F316-L336 HydrophobicContact CZ-CB 4.03Å; L336-L338 HydrophobicContact CD1-CD2 3.93Å; L336-L338 HydrophobicContact CD2-CD2 4.11Å; L336-L338 HydrophobicContact CG-CD2 3.88Å; L336-L338 HydrophobicContact CG-CG 4.24Å; L336-T366 PolarHBondContact N-O 2.67Å; L336-V367 HydrophobicContact CB-CG2 4.13Å; L336-V367 HydrophobicContact CD2-CG2 4.29Å; L336-V367 CarbonylContact O-C 3.52Å; L336-V367 VanDerWaalsContact O-CA 3.3Å; L336-V367 WeakPolarHBondContact O-CA 3.41Å; L336-E368 PolarHBondContact O-N 2.93Å; L336-L389 HydrophobicContact CD1-CD2 4.05Å
337	L	98.3	Very high	83.2	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	113.7	178.8	-53.1	180	0	0	0	109	W296 I297 L298 S299 K335 I339 E368 Y381	W296-L337 HydrophobicContact CE3-CD1 3.89Å; I297-L337 PolarHBondContact O-N 3.12Å; L298-L337 HydrophobicContact CD1-CB 3.98Å; S299-L337 PolarHBondContact N-O 2.83Å; K335-L337 HydrophobicContact CB-CD2 4.39Å; L337-I339 HydrophobicContact CB-CG1 4.4Å; L337-E368 HydrophobicContact CD2-CB 3.7Å; L337-E368 HydrophobicContact CD2-CG 3.89Å; L337-E368 WeakPolarHBondContact CD2-OE2 3.49Å; L337-Y381 HydrophobicContact CD1-CD1 3.51Å; L337-Y381 HydrophobicContact CD1-CE1 3.8Å; L337-Y381 HydrophobicContact CD1-CG 4.42Å
338	L	98.5	Very high	85.1	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	104.6	175.7	-57.9	-176.5	0	0	0	108.6	F303 L313 L336 V367 E368 F369 H370	F303-L338 HydrophobicContact CE1-CB 4.18Å; F303-L338 HydrophobicContact CZ-CB 4.3Å; L313-L338 HydrophobicContact CD2-CD1 4.14Å; L336-L338 HydrophobicContact CD1-CD2 3.93Å; L336-L338 HydrophobicContact CD2-CD2 4.11Å; L336-L338 HydrophobicContact CG-CD2 3.88Å; L336-L338 HydrophobicContact CG-CG 4.24Å; L338-V367 HydrophobicContact CD1-CG1 4.13Å; L338-V367 HydrophobicContact CG-CG1 4.4Å; L338-E368 PolarHBondContact N-O 3.06Å; L338-F369 HydrophobicContact CB-CD1 4.11Å; L338-F369 HydrophobicContact CB-CE1 4.37Å; L338-F369 HydrophobicContact CD1-CD1 4.09Å; L338-F369 HydrophobicContact CD1-CE1 3.5Å; L338-F369 HydrophobicContact CD1-CZ 3.8Å; L338-F369 WeakPolarHBondContact O-CA 3.49Å; L338-H370 PolarHBondContact O-N 2.66Å
339	I	97.1	Very high	87	Confident	8 Å²	8	57.5 Å²	57.5	4%	0.041	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	125.3	-176.2	-46.8	-161.9	0	0	0	109.8	L298 S299 V300 G301 L337 H370 L373 L378 Y381	L298-I339 HydrophobicContact CD1-CB 4.47Å; L298-I339 HydrophobicContact CD1-CD1 3.47Å; L298-I339 VanDerWaalsContact CD1-CD1 3.47Å; L298-I339 HydrophobicContact CD1-CG1 3.65Å; S299-I339 PolarHBondContact O-N 2.84Å; V300-I339 WeakPolarHBondContact CA-O 3.17Å; G301-I339 PolarHBondContact N-O 2.78Å; L337-I339 HydrophobicContact CB-CG1 4.4Å; I339-H370 WeakPolarHBondContact CA-O 3.2Å; I339-H370 HydrophobicContact CB-CB 4.29Å; I339-H370 HydrophobicContact CD1-CB 4.21Å; I339-H370 HydrophobicContact CG1-CB 3.91Å; I339-H370 HydrophobicContact CG2-CB 4.03Å; I339-L373 HydrophobicContact CD1-CD2 4.03Å; I339-L373 HydrophobicContact CG2-CB 3.88Å; I339-L373 HydrophobicContact CG2-CD2 3.94Å; I339-L378 HydrophobicContact CD1-CD1 4.27Å; I339-L378 HydrophobicContact CG2-CD1 4.19Å; I339-Y381 HydrophobicContact CD1-CD2 3.58Å; I339-Y381 HydrophobicContact CD1-CE2 4.06Å; I339-Y381 HydrophobicContact CD1-CG 3.85Å
340	G	92.6	Very high	88.8	Confident	8 Å²	8	52.9 Å²	52.9	8%	0.082	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	159.7	-170	0	0	0	0	0	115.9	G301 F303 H370 I371 N372	G301-G340 WeakPolarHBondContact O-CA 3.38Å; F303-G340 WeakPolarHBondContact CE2-O 3.33Å; G340-H370 PolarHBondContact N-O 2.82Å; G340-I371 CarbonylContact O-C 3.43Å; G340-I371 WeakPolarHBondContact O-CA 3.16Å; G340-N372 PolarHBondContact O-N 2.73Å
341	G	88.6	Confident	90.6	Very high	22 Å²	22	48.6 Å²	48.6	23%	0.227	24%	0.244	C	C	.	.			trans	-85.5	142.4	174.3	0	0	0	0	0	112.8	F303 N372	F303-G341 PolarHBondContact N-O 2.87Å; G341-N372 WeakPolarHBondContact CA-OD1 3.33Å
342	C	91.6	Very high	92.5	Very high	8 Å²	8	47.9 Å²	47.9	5%	0.054	25%	0.249	C	C	.	.			trans	-119.6	126.8	164.7	-71.5	0	0	0	0	108.9	D347 F348 I371 N372	C342-D347 HydrophobicContact CB-CB 3.74Å; C342-F348 HydrophobicContact CB-CD1 4.04Å; C342-F348 HydrophobicContact CB-CD2 4.01Å; C342-F348 HydrophobicContact CB-CE1 3.8Å; C342-F348 HydrophobicContact CB-CE2 3.76Å; C342-F348 HydrophobicContact CB-CG 4.14Å; C342-F348 HydrophobicContact CB-CZ 3.64Å; C342-I371 HydrophobicContact CB-CG2 3.84Å; C342-N372 PolarHBondContact N-OD1 2.96Å; C342-N372 PolarHBondContact O-ND2 2.88Å; C342-N372 PolarHBondContact O-OD1 3Å
343	R	82.6	Confident	93.9	Very high	112 Å²	112	48.4 Å²	48.4	42%	0.423	25%	0.249	S	C	.	.			trans	-102	-30.8	-177.6	-63.5	-179.6	175.9	174.6	-5.1	113.5	S55 D347	S55-R343 VanDerWaalsContact O-CZ 3.24Å; S55-R343 PolarHBondContact O-NE 3.31Å; S55-R343 PolarHBondContact O-NH2 2.79Å; R343-D347 PolarHBondContact N-OD2 3.45Å
344	D	84.7	Confident	94.4	Very high	64 Å²	64	45 Å²	45	34%	0.342	23%	0.233	S	C	.	.	S	Bend	trans	-146.8	174.7	-174.5	65.4	33.4	0	0	0	111.5	K346 D347 F348	D344-K346 PolarHBondContact O-N 3.44Å; D344-K346 VanDerWaalsContact O-N 3.09Å; D344-K346 WeakPolarHBondContact OD1-CA 3.24Å; D344-K346 VanDerWaalsContact OD1-CB 3.23Å; D344-K346 WeakPolarHBondContact OD1-CB 3.33Å; D344-K346 PolarHBondContact OD1-N 2.93Å; D344-D347 PolarHBondContact O-N 3.35Å; D344-D347 VanDerWaalsContact O-N 3.08Å; D344-D347 PolarHBondContact OD1-N 3.34Å; D344-F348 VanDerWaalsContact O-CD2 3.25Å; D344-F348 WeakPolarHBondContact O-CD2 3.34Å; D344-F348 PolarHBondContact O-N 2.98Å
345	D	92.2	Very high	94.6	Very high	140 Å²	140	49.2 Å²	49.2	75%	0.749	25%	0.252	S	S	*	.	H	α-helix	trans	-57.6	-24.7	-178.7	-60	-26.3	0	0	0	113.4	A349	D345-A349 VanDerWaalsContact O-CB 3.27Å; D345-A349 WeakPolarHBondContact O-CB 3.42Å; D345-A349 PolarHBondContact O-N 2.87Å
346	K	91.4	Very high	94.7	Very high	130 Å²	130	51.9 Å²	51.9	57%	0.565	27%	0.269	S	S	*	.	H	α-helix	trans	-72.8	-40.6	178	-59.7	-179.1	174.6	-174.6	0	111.2	D344 F348 A349 L350	D344-K346 PolarHBondContact O-N 3.44Å; D344-K346 VanDerWaalsContact O-N 3.09Å; D344-K346 WeakPolarHBondContact OD1-CA 3.24Å; D344-K346 VanDerWaalsContact OD1-CB 3.23Å; D344-K346 WeakPolarHBondContact OD1-CB 3.33Å; D344-K346 PolarHBondContact OD1-N 2.93Å; K346-F348 VanDerWaalsContact C-N 3.35Å; K346-A349 PolarHBondContact O-N 3.41Å; K346-L350 PolarHBondContact O-N 3.23Å
347	D	93.4	Very high	94.7	Very high	5 Å²	5	53.5 Å²	53.5	3%	0.027	28%	0.276	C	S	.	.	H	α-helix	trans	-64.2	-43.6	175.3	-64.1	-9.1	0	0	0	110	R304 C342 R343 D344 A349 L350 V351	R304-D347 WeakPolarHBondContact CD-OD1 3.48Å; R304-D347 IonicContact CZ-OD1 2.88Å; R304-D347 IonicContact CZ-OD2 2.96Å; R304-D347 IonicContact NE-OD1 2.79Å; R304-D347 PolarHBondContact NE-OD1 2.95Å; R304-D347 IonicContact NE-OD2 2.87Å; R304-D347 PolarHBondContact NE-OD2 3.11Å; R304-D347 IonicContact NH1-OD1 3.67Å; R304-D347 VanDerWaalsContact NH2-CG 3.32Å; R304-D347 IonicContact NH2-OD1 3.4Å; R304-D347 PolarHBondContact NH2-OD1 3.23Å; R304-D347 VanDerWaalsContact NH2-OD1 3.16Å; R304-D347 IonicContact NH2-OD2 3.32Å; R304-D347 PolarHBondContact NH2-OD2 3.39Å; C342-D347 HydrophobicContact CB-CB 3.74Å; R343-D347 PolarHBondContact N-OD2 3.45Å; D344-D347 PolarHBondContact O-N 3.35Å; D344-D347 VanDerWaalsContact O-N 3.08Å; D344-D347 PolarHBondContact OD1-N 3.34Å; D347-A349 PolarHBondContact O-N 3.47Å; D347-L350 WeakPolarHBondContact O-CB 3.48Å; D347-L350 PolarHBondContact O-N 2.98Å; D347-V351 WeakPolarHBondContact O-CG2 3.35Å; D347-V351 PolarHBondContact O-N 3.26Å
348	F	96.6	Very high	94.7	Very high	95 Å²	95	53.7 Å²	53.7	42%	0.417	28%	0.277	S	S	.	.	H	α-helix	trans	-63.2	-41.1	175.6	-74.7	-72	0	0	0	112.9	C342 D344 K346 L350 V351 S352 I371	C342-F348 HydrophobicContact CB-CD1 4.04Å; C342-F348 HydrophobicContact CB-CD2 4.01Å; C342-F348 HydrophobicContact CB-CE1 3.8Å; C342-F348 HydrophobicContact CB-CE2 3.76Å; C342-F348 HydrophobicContact CB-CG 4.14Å; C342-F348 HydrophobicContact CB-CZ 3.64Å; D344-F348 VanDerWaalsContact O-CD2 3.25Å; D344-F348 WeakPolarHBondContact O-CD2 3.34Å; D344-F348 PolarHBondContact O-N 2.98Å; K346-F348 VanDerWaalsContact C-N 3.35Å; F348-L350 VanDerWaalsContact C-N 3.31Å; F348-L350 PolarHBondContact O-N 3.42Å; F348-V351 PolarHBondContact O-N 3.21Å; F348-S352 PolarHBondContact O-N 2.67Å; F348-I371 HydrophobicContact CE1-CD1 4.45Å; F348-I371 HydrophobicContact CE1-CG2 4.08Å
349	A	97.5	Very high	94.6	Very high	60 Å²	60	56.6 Å²	56.6	50%	0.496	30%	0.301	S	S	.	.	H	α-helix	trans	-62.7	-37.9	174.6	0	0	0	0	0	112.1	D345 K346 D347 S352 K353	D345-A349 VanDerWaalsContact O-CB 3.27Å; D345-A349 WeakPolarHBondContact O-CB 3.42Å; D345-A349 PolarHBondContact O-N 2.87Å; K346-A349 PolarHBondContact O-N 3.41Å; D347-A349 PolarHBondContact O-N 3.47Å; A349-S352 WeakPolarHBondContact O-CB 3.42Å; A349-S352 PolarHBondContact O-N 3.01Å; A349-K353 PolarHBondContact O-N 3.21Å
350	L	97.2	Very high	94.6	Very high	31 Å²	31	60.1 Å²	60.1	16%	0.162	33%	0.332	C	S	.	.	H	α-helix	trans	-62.9	-43.5	174	178.4	63.9	0	0	0	111.4	P305 K346 D347 F348 S352 K353 L354	P305-L350 HydrophobicContact CG-CD2 4.34Å; K346-L350 PolarHBondContact O-N 3.23Å; D347-L350 WeakPolarHBondContact O-CB 3.48Å; D347-L350 PolarHBondContact O-N 2.98Å; F348-L350 VanDerWaalsContact C-N 3.31Å; F348-L350 PolarHBondContact O-N 3.42Å; L350-S352 VanDerWaalsContact C-N 3.3Å; L350-S352 PolarHBondContact O-N 3.01Å; L350-K353 PolarHBondContact O-N 3.43Å; L350-L354 HydrophobicContact CD1-CD1 4.37Å; L350-L354 HydrophobicContact CD1-CG 4.33Å; L350-L354 HydrophobicContact CG-CD1 4.02Å; L350-L354 HydrophobicContact CG-CG 4.43Å; L350-L354 VanDerWaalsContact O-CG 3.32Å; L350-L354 WeakPolarHBondContact O-CG 3.04Å; L350-L354 PolarHBondContact O-N 3.35Å
351	V	98	Very high	94.7	Very high	4 Å²	4	61.4 Å²	61.4	2%	0.024	34%	0.337	C	S	.	.	H	α-helix	trans	-59.8	-42.5	175.5	175.6	0	0	0	0	111.2	F303 D347 F348 K353 L354 K355 F369 I371	F303-V351 HydrophobicContact CB-CG2 3.68Å; F303-V351 HydrophobicContact CD1-CG2 3.64Å; F303-V351 HydrophobicContact CD2-CG2 3.58Å; F303-V351 HydrophobicContact CE1-CG2 4.12Å; F303-V351 HydrophobicContact CE2-CG2 4.06Å; F303-V351 HydrophobicContact CG-CG2 3.33Å; F303-V351 HydrophobicContact CZ-CG2 4.31Å; D347-V351 WeakPolarHBondContact O-CG2 3.35Å; D347-V351 PolarHBondContact O-N 3.26Å; F348-V351 PolarHBondContact O-N 3.21Å; V351-K353 PolarHBondContact O-N 3.3Å; V351-L354 PolarHBondContact O-N 2.9Å; V351-K355 HydrophobicContact CG1-CD 4.32Å; V351-K355 HydrophobicContact CG1-CG 4.46Å; V351-K355 WeakPolarHBondContact O-CG 3.34Å; V351-K355 PolarHBondContact O-N 3.42Å; V351-F369 HydrophobicContact CG1-CD1 4.08Å; V351-I371 HydrophobicContact CB-CD1 4.48Å; V351-I371 HydrophobicContact CG1-CD1 3.85Å; V351-I371 HydrophobicContact CG1-CG1 4.49Å; V351-I371 HydrophobicContact CG2-CD1 4.38Å
352	S	97.9	Very high	94.9	Very high	64 Å²	64	69.5 Å²	69.5	45%	0.448	37%	0.366	S	S	.	.	H	α-helix	trans	-57.6	-49.2	175.5	-165.3	0	0	0	0	111.3	F348 A349 L350 L354 K355 D356	F348-S352 PolarHBondContact O-N 2.67Å; A349-S352 WeakPolarHBondContact O-CB 3.42Å; A349-S352 PolarHBondContact O-N 3.01Å; L350-S352 VanDerWaalsContact C-N 3.3Å; L350-S352 PolarHBondContact O-N 3.01Å; S352-L354 VanDerWaalsContact C-N 3.3Å; S352-L354 PolarHBondContact O-N 2.86Å; S352-K355 WeakPolarHBondContact O-CB 3.07Å; S352-K355 PolarHBondContact O-N 3.07Å; S352-K355 VanDerWaalsContact O-N 3.16Å; S352-D356 PolarHBondContact O-N 3.47Å
353	K	98.1	Very high	95	Very high	128 Å²	128	69.3 Å²	69.3	56%	0.557	36%	0.364	S	S	*	.	H	α-helix	trans	-58.8	-40.5	177.1	-176.2	-174.8	174.7	-168	0	112.3	A349 L350 V351 D356 Q357	A349-K353 PolarHBondContact O-N 3.21Å; L350-K353 PolarHBondContact O-N 3.43Å; V351-K353 PolarHBondContact O-N 3.3Å; K353-D356 PolarHBondContact O-N 3.16Å; K353-Q357 WeakPolarHBondContact O-CB 3.38Å; K353-Q357 PolarHBondContact O-N 3.5Å
354	L	98.3	Very high	95.2	Very high	6 Å²	6	66.4 Å²	66.4	3%	0.031	37%	0.369	C	S	.	.	H	α-helix	trans	-68.3	-35.7	178.5	-69.8	168.9	0	0	0	112.2	F303 H309 L313 L350 V351 S352 Q357 A358 F369	F303-L354 HydrophobicContact CD1-CD1 4.16Å; H309-L354 HydrophobicContact CB-CD1 3.58Å; H309-L354 HydrophobicContact CB-CD2 3.66Å; H309-L354 HydrophobicContact CB-CG 4.28Å; L313-L354 HydrophobicContact CD1-CB 4.44Å; L313-L354 HydrophobicContact CD1-CD2 4Å; L350-L354 HydrophobicContact CD1-CD1 4.37Å; L350-L354 HydrophobicContact CD1-CG 4.33Å; L350-L354 HydrophobicContact CG-CD1 4.02Å; L350-L354 HydrophobicContact CG-CG 4.43Å; L350-L354 VanDerWaalsContact O-CG 3.32Å; L350-L354 WeakPolarHBondContact O-CG 3.04Å; L350-L354 PolarHBondContact O-N 3.35Å; V351-L354 PolarHBondContact O-N 2.9Å; S352-L354 VanDerWaalsContact C-N 3.3Å; S352-L354 PolarHBondContact O-N 2.86Å; L354-Q357 PolarHBondContact O-N 2.85Å; L354-A358 WeakPolarHBondContact O-CB 3.47Å; L354-A358 PolarHBondContact O-N 3.49Å; L354-F369 HydrophobicContact CB-CE1 3.73Å; L354-F369 HydrophobicContact CB-CZ 3.96Å
355	K	98.1	Very high	95.3	Very high	99 Å²	99	69.9 Å²	69.9	43%	0.43	39%	0.387	S	S	.	.	H	α-helix	trans	-64.2	-44.5	172.5	-74.6	178.9	174.8	-173	0	111.5	V351 S352 Q357 A358 A359 F369	V351-K355 HydrophobicContact CG1-CD 4.32Å; V351-K355 HydrophobicContact CG1-CG 4.46Å; V351-K355 WeakPolarHBondContact O-CG 3.34Å; V351-K355 PolarHBondContact O-N 3.42Å; S352-K355 WeakPolarHBondContact O-CB 3.07Å; S352-K355 PolarHBondContact O-N 3.07Å; S352-K355 VanDerWaalsContact O-N 3.16Å; K355-Q357 VanDerWaalsContact C-N 3.31Å; K355-Q357 PolarHBondContact O-N 3.13Å; K355-A358 PolarHBondContact O-N 2.92Å; K355-A359 PolarHBondContact O-N 3.33Å; K355-F369 HydrophobicContact CB-CE2 4.41Å; K355-F369 HydrophobicContact CD-CD2 4.46Å; K355-F369 HydrophobicContact CG-CD1 4.43Å; K355-F369 HydrophobicContact CG-CD2 3.68Å; K355-F369 HydrophobicContact CG-CE1 4.34Å; K355-F369 HydrophobicContact CG-CE2 3.58Å; K355-F369 HydrophobicContact CG-CG 4.11Å; K355-F369 HydrophobicContact CG-CZ 3.93Å
356	D	97.9	Very high	95.4	Very high	106 Å²	106	63.9 Å²	63.9	57%	0.567	36%	0.356	S	S	*	.	H	α-helix	trans	-61.5	-41.9	176.3	-62.9	-26.2	0	0	0	111.2	S352 K353 A359 A360	S352-D356 PolarHBondContact O-N 3.47Å; K353-D356 PolarHBondContact O-N 3.16Å; D356-A359 PolarHBondContact O-N 3.12Å; D356-A360 WeakPolarHBondContact O-CB 3.29Å; D356-A360 PolarHBondContact O-N 3.31Å
357	Q	97.8	Very high	95.7	Very high	34 Å²	34	58.2 Å²	58.2	16%	0.159	33%	0.332	C	S	.	.	H	α-helix	trans	-63.5	-44.8	174.9	-174.1	-174	-19.5	0	0	112	L313 N314 K353 L354 K355 A359 A360 L361	L313-Q357 HydrophobicContact CD1-CB 4.17Å; L313-Q357 HydrophobicContact CD1-CG 4.14Å; N314-Q357 PolarHBondContact OD1-NE2 3.46Å; K353-Q357 WeakPolarHBondContact O-CB 3.38Å; K353-Q357 PolarHBondContact O-N 3.5Å; L354-Q357 PolarHBondContact O-N 2.85Å; K355-Q357 VanDerWaalsContact C-N 3.31Å; K355-Q357 PolarHBondContact O-N 3.13Å; Q357-A359 VanDerWaalsContact C-N 3.3Å; Q357-A359 PolarHBondContact O-N 2.96Å; Q357-A360 PolarHBondContact O-N 2.96Å; Q357-L361 HydrophobicContact CG-CD1 4.08Å; Q357-L361 WeakPolarHBondContact O-CB 3.45Å; Q357-L361 WeakPolarHBondContact O-CG 3.35Å; Q357-L361 PolarHBondContact O-N 2.79Å
358	A	97.8	Very high	95.8	Very high	3 Å²	3	60.6 Å²	60.6	3%	0.025	34%	0.343	C	S	.	.	H	α-helix	trans	-60.1	-41.3	176.2	0	0	0	0	0	111.3	L313 L354 K355 L361 K362 L363 V367 F369	L313-A358 HydrophobicContact CD1-CB 4.44Å; L313-A358 HydrophobicContact CD2-CB 4.06Å; L354-A358 WeakPolarHBondContact O-CB 3.47Å; L354-A358 PolarHBondContact O-N 3.49Å; K355-A358 PolarHBondContact O-N 2.92Å; A358-L361 CarbonylContact O-C 3.53Å; A358-L361 PolarHBondContact O-N 3.49Å; A358-K362 PolarHBondContact O-N 3.14Å; A358-L363 HydrophobicContact CB-CB 4.35Å; A358-L363 WeakPolarHBondContact O-CB 3.29Å; A358-L363 PolarHBondContact O-N 2.92Å; A358-V367 HydrophobicContact CB-CB 4.46Å; A358-V367 HydrophobicContact CB-CG1 4.43Å; A358-F369 HydrophobicContact CB-CE2 4.4Å
359	A	96.6	Very high	95.9	Very high	61 Å²	61	57.7 Å²	57.7	50%	0.504	33%	0.33	S	S	.	.	H	α-helix	trans	-63	-45.4	174.4	0	0	0	0	0	112	K355 D356 Q357 L361 K362	K355-A359 PolarHBondContact O-N 3.33Å; D356-A359 PolarHBondContact O-N 3.12Å; Q357-A359 VanDerWaalsContact C-N 3.3Å; Q357-A359 PolarHBondContact O-N 2.96Å; A359-L361 VanDerWaalsContact C-N 3.28Å; A359-L361 PolarHBondContact O-N 2.89Å; A359-K362 WeakPolarHBondContact O-CA 3.34Å; A359-K362 PolarHBondContact O-N 2.95Å
360	A	97	Very high	95.9	Very high	82 Å²	82	56.6 Å²	56.6	68%	0.678	32%	0.315	S	S	*	.	H	α-helix	trans	-61.3	-35.6	176.8	0	0	0	0	0	112.7	D356 Q357 K362	D356-A360 WeakPolarHBondContact O-CB 3.29Å; D356-A360 PolarHBondContact O-N 3.31Å; Q357-A360 PolarHBondContact O-N 2.96Å; A360-K362 PolarHBondContact O-N 3.03Å
361	L	96.3	Very high	95.8	Very high	35 Å²	35	57.8 Å²	57.8	18%	0.183	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	2.9	173.7	-67.7	173.8	0	0	0	113.7	L313 H317 Q357 A358 A359 L363	L313-L361 HydrophobicContact CB-CD1 4.02Å; H317-L361 HydrophobicContact CB-CB 4.41Å; H317-L361 HydrophobicContact CB-CD1 4.3Å; H317-L361 HydrophobicContact CB-CD2 4.43Å; H317-L361 PolarHBondContact CE1-O 3.39Å; H317-L361 PolarHBondContact ND1-O 3.2Å; Q357-L361 HydrophobicContact CG-CD1 4.08Å; Q357-L361 WeakPolarHBondContact O-CB 3.45Å; Q357-L361 WeakPolarHBondContact O-CG 3.35Å; Q357-L361 PolarHBondContact O-N 2.79Å; A358-L361 CarbonylContact O-C 3.53Å; A358-L361 PolarHBondContact O-N 3.49Å; A359-L361 VanDerWaalsContact C-N 3.28Å; A359-L361 PolarHBondContact O-N 2.89Å; L361-L363 VanDerWaalsContact C-N 3.3Å; L361-L363 HydrophobicContact CB-CD1 3.96Å; L361-L363 HydrophobicContact CB-CG 3.89Å; L361-L363 HydrophobicContact CD1-CD1 4.23Å; L361-L363 PolarHBondContact O-N 3.31Å
362	K	92.8	Very high	95.4	Very high	193 Å²	193	61.5 Å²	61.5	84%	0.839	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	39.8	-176.7	-54.5	-178.3	179.7	-176.7	0	112.9	A358 A359 A360	A358-K362 PolarHBondContact O-N 3.14Å; A359-K362 WeakPolarHBondContact O-CA 3.34Å; A359-K362 PolarHBondContact O-N 2.95Å; A360-K362 PolarHBondContact O-N 3.03Å
363	L	94	Very high	95.1	Very high	4 Å²	4	60.2 Å²	60.2	2%	0.021	33%	0.328	C	S	.	.			trans	-104.1	3.8	179.9	-63.3	179	0	0	0	113.8	L313 F316 H317 L320 A358 L361 D365 T366 V367	L313-L363 HydrophobicContact CD2-CD1 4.36Å; F316-L363 HydrophobicContact CD1-CD1 4.27Å; F316-L363 HydrophobicContact CD1-CD2 4.1Å; F316-L363 HydrophobicContact CE1-CD2 4.4Å; H317-L363 HydrophobicContact CB-CD1 4.07Å; H317-L363 HydrophobicContact CB-CD2 4.36Å; H317-L363 HydrophobicContact CB-CG 4.47Å; L320-L363 HydrophobicContact CD1-CD2 3.73Å; A358-L363 HydrophobicContact CB-CB 4.35Å; A358-L363 WeakPolarHBondContact O-CB 3.29Å; A358-L363 PolarHBondContact O-N 2.92Å; L361-L363 VanDerWaalsContact C-N 3.3Å; L361-L363 HydrophobicContact CB-CD1 3.96Å; L361-L363 HydrophobicContact CB-CG 3.89Å; L361-L363 HydrophobicContact CD1-CD1 4.23Å; L361-L363 PolarHBondContact O-N 3.31Å; L363-D365 PolarHBondContact O-N 2.96Å; L363-T366 PolarHBondContact O-N 2.08Å; L363-T366 PolarHBondContact O-OG1 3.14Å; L363-V367 HydrophobicContact CB-CB 4.43Å; L363-V367 HydrophobicContact CB-CG2 3.63Å; L363-V367 HydrophobicContact CD1-CG2 3.96Å; L363-V367 HydrophobicContact CG-CG2 4.35Å; L363-V367 PolarHBondContact O-N 3.01Å
364	G	85.2	Confident	94.6	Very high	51 Å²	51	56.1 Å²	56.1	53%	0.526	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-36.8	-170	0	0	0	0	0	115.3
365	D	87.4	Confident	94.1	Very high	136 Å²	136	56.2 Å²	56.2	73%	0.727	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-9.3	-178.3	-55.3	-40.2	0	0	0	113.8	L363	L363-D365 PolarHBondContact O-N 2.96Å
366	T	93.9	Very high	93.6	Very high	15 Å²	15	57.5 Å²	57.5	9%	0.092	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-11.1	-173.3	58.7	0	0	0	0	113.4	L320 K335 L336 L363	L320-T366 HydrophobicContact CD1-CG2 4.49Å; K335-T366 CarbonylContact C-O 3.59Å; K335-T366 VanDerWaalsContact CA-O 3.25Å; K335-T366 WeakPolarHBondContact CA-O 3.32Å; L336-T366 PolarHBondContact N-O 2.67Å; L363-T366 PolarHBondContact O-N 2.08Å; L363-T366 PolarHBondContact O-OG1 3.14Å
367	V	97.3	Very high	93.2	Very high	11 Å²	11	57.2 Å²	57.2	7%	0.067	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	123.6	178.7	176.7	0	0	0	0	109.6	L313 F316 L336 L338 A358 L363 F369	L313-V367 HydrophobicContact CD2-CG1 3.93Å; L313-V367 HydrophobicContact CD2-CG2 4.08Å; F316-V367 HydrophobicContact CD1-CG2 4.04Å; F316-V367 HydrophobicContact CE1-CG2 4.17Å; L336-V367 HydrophobicContact CB-CG2 4.13Å; L336-V367 HydrophobicContact CD2-CG2 4.29Å; L336-V367 CarbonylContact O-C 3.52Å; L336-V367 VanDerWaalsContact O-CA 3.3Å; L336-V367 WeakPolarHBondContact O-CA 3.41Å; L338-V367 HydrophobicContact CD1-CG1 4.13Å; L338-V367 HydrophobicContact CG-CG1 4.4Å; A358-V367 HydrophobicContact CB-CB 4.46Å; A358-V367 HydrophobicContact CB-CG1 4.43Å; L363-V367 HydrophobicContact CB-CB 4.43Å; L363-V367 HydrophobicContact CB-CG2 3.63Å; L363-V367 HydrophobicContact CD1-CG2 3.96Å; L363-V367 HydrophobicContact CG-CG2 4.35Å; L363-V367 PolarHBondContact O-N 3.01Å; V367-F369 HydrophobicContact CG1-CD2 4.17Å; V367-F369 HydrophobicContact CG1-CE2 3.56Å; V367-F369 HydrophobicContact CG1-CZ 4Å
368	E	97.4	Very high	92.9	Very high	54 Å²	54	56.5 Å²	56.5	25%	0.252	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	143.8	177	-58	180	-167.6	0	0	110.9	K335 L336 L337 L338 H370	K335-E368 IonicContact NZ-OE1 2.87Å; K335-E368 PolarHBondContact NZ-OE1 2.84Å; L336-E368 PolarHBondContact O-N 2.93Å; L337-E368 HydrophobicContact CD2-CB 3.7Å; L337-E368 HydrophobicContact CD2-CG 3.89Å; L337-E368 WeakPolarHBondContact CD2-OE2 3.49Å; L338-E368 PolarHBondContact N-O 3.06Å; E368-H370 IonicContact OE2-CE1 2.52Å; E368-H370 IonicContact OE2-NE2 2.76Å; E368-H370 PolarHBondContact OE2-NE2 3.37Å
369	F	97.9	Very high	92.5	Very high	34 Å²	34	57.5 Å²	57.5	15%	0.149	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	115.9	178.1	-67.3	-99.7	0	0	0	109.7	F303 L338 V351 L354 K355 A358 V367	F303-F369 AromaticContact CE1-CD1 3.98Å; F303-F369 HydrophobicContact CE1-CD1 3.98Å; F303-F369 HydrophobicContact CE1-CE1 4.41Å; F303-F369 HydrophobicContact CZ-CD1 4.15Å; L338-F369 HydrophobicContact CB-CD1 4.11Å; L338-F369 HydrophobicContact CB-CE1 4.37Å; L338-F369 HydrophobicContact CD1-CD1 4.09Å; L338-F369 HydrophobicContact CD1-CE1 3.5Å; L338-F369 HydrophobicContact CD1-CZ 3.8Å; L338-F369 WeakPolarHBondContact O-CA 3.49Å; V351-F369 HydrophobicContact CG1-CD1 4.08Å; L354-F369 HydrophobicContact CB-CE1 3.73Å; L354-F369 HydrophobicContact CB-CZ 3.96Å; K355-F369 HydrophobicContact CB-CE2 4.41Å; K355-F369 HydrophobicContact CD-CD2 4.46Å; K355-F369 HydrophobicContact CG-CD1 4.43Å; K355-F369 HydrophobicContact CG-CD2 3.68Å; K355-F369 HydrophobicContact CG-CE1 4.34Å; K355-F369 HydrophobicContact CG-CE2 3.58Å; K355-F369 HydrophobicContact CG-CG 4.11Å; K355-F369 HydrophobicContact CG-CZ 3.93Å; A358-F369 HydrophobicContact CB-CE2 4.4Å; V367-F369 HydrophobicContact CG1-CD2 4.17Å; V367-F369 HydrophobicContact CG1-CE2 3.56Å; V367-F369 HydrophobicContact CG1-CZ 4Å
370	H	96.8	Very high	92.2	Very high	37 Å²	37	56.9 Å²	56.9	17%	0.171	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	106.1	178.4	-63.4	-87.8	0	0	0	109.5	L338 I339 G340 E368 Y381	L338-H370 PolarHBondContact O-N 2.66Å; I339-H370 WeakPolarHBondContact CA-O 3.2Å; I339-H370 HydrophobicContact CB-CB 4.29Å; I339-H370 HydrophobicContact CD1-CB 4.21Å; I339-H370 HydrophobicContact CG1-CB 3.91Å; I339-H370 HydrophobicContact CG2-CB 4.03Å; G340-H370 PolarHBondContact N-O 2.82Å; E368-H370 IonicContact OE2-CE1 2.52Å; E368-H370 IonicContact OE2-NE2 2.76Å; E368-H370 PolarHBondContact OE2-NE2 3.37Å; H370-Y381 AromaticContact CE1-CZ 3.88Å; H370-Y381 PolarHBondContact CE1-OH 2.93Å
371	I	95.3	Very high	92.1	Very high	56 Å²	56	55 Å²	55	29%	0.287	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	131.7	-172.7	-50.7	171.8	0	0	0	110	F303 G340 C342 F348 V351 L373	F303-I371 HydrophobicContact CE2-CG1 4.09Å; G340-I371 CarbonylContact O-C 3.43Å; G340-I371 WeakPolarHBondContact O-CA 3.16Å; C342-I371 HydrophobicContact CB-CG2 3.84Å; F348-I371 HydrophobicContact CE1-CD1 4.45Å; F348-I371 HydrophobicContact CE1-CG2 4.08Å; V351-I371 HydrophobicContact CB-CD1 4.48Å; V351-I371 HydrophobicContact CG1-CD1 3.85Å; V351-I371 HydrophobicContact CG1-CG1 4.49Å; V351-I371 HydrophobicContact CG2-CD1 4.38Å; I371-L373 PolarHBondContact O-N 2.96Å
372	N	89.9	Confident	91.9	Very high	83 Å²	83	53.4 Å²	53.4	44%	0.444	28%	0.278	S	S	.	.	S	Bend	trans	55.6	35.4	176	-65.5	-30.9	0	0	0	114	G340 G341 C342	G340-N372 PolarHBondContact O-N 2.73Å; G341-N372 WeakPolarHBondContact CA-OD1 3.33Å; C342-N372 PolarHBondContact N-OD1 2.96Å; C342-N372 PolarHBondContact O-ND2 2.88Å; C342-N372 PolarHBondContact O-OD1 3Å
373	L	90.9	Very high	91.8	Very high	36 Å²	36	44.3 Å²	44.3	19%	0.188	24%	0.239	C	C	.	.			trans	-62.2	135.3	-178.6	-165	73.6	0	0	0	111.9	I339 I371 E377 L378 Y381	I339-L373 HydrophobicContact CD1-CD2 4.03Å; I339-L373 HydrophobicContact CG2-CB 3.88Å; I339-L373 HydrophobicContact CG2-CD2 3.94Å; I371-L373 PolarHBondContact O-N 2.96Å; L373-E377 HydrophobicContact CD1-CB 3.94Å; L373-E377 WeakPolarHBondContact CD1-OE2 3.33Å; L373-E377 HydrophobicContact CD2-CB 3.96Å; L373-E377 HydrophobicContact CG-CB 3.79Å; L373-L378 HydrophobicContact CD2-CB 4.25Å; L373-Y381 HydrophobicContact CD2-CD2 3.65Å; L373-Y381 HydrophobicContact CD2-CE2 3.64Å
374	P	88.9	Confident	91.7	Very high	42 Å²	42	49.3 Å²	49.3	27%	0.273	26%	0.258	S	S	.	.			trans	-62	148	174.1	-23.7	35	0	0	0	113.1	Q376 E377 L378	P374-Q376 VanDerWaalsContact C-N 3.28Å; P374-Q376 PolarHBondContact O-N 3.35Å; P374-E377 WeakPolarHBondContact CG-OE1 3.38Å; P374-E377 PolarHBondContact O-N 3.14Å; P374-L378 PolarHBondContact O-N 2.92Å
375	Y	86.9	Confident	92.2	Very high	9 Å²	9	46.9 Å²	46.9	4%	0.035	23%	0.233	C	C	.	.	H	α-helix	trans	-56.9	-37.1	-177.3	178.1	-117	0	0	0	113.5	R101 P280 D283 E377 L378 K379	R101-Y375 WeakPolarHBondContact O-CB 3.44Å; R101-Y375 PolarHBondContact O-N 2.96Å; P280-Y375 WeakPolarHBondContact CG-OH 3.2Å; D283-Y375 VanDerWaalsContact OD2-CE1 3.24Å; D283-Y375 WeakPolarHBondContact OD2-CE1 3.19Å; D283-Y375 PolarHBondContact OD2-OH 3.03Å; Y375-E377 VanDerWaalsContact C-N 3.35Å; Y375-E377 PolarHBondContact O-N 2.54Å; Y375-L378 WeakPolarHBondContact O-CB 3.37Å; Y375-L378 PolarHBondContact O-N 3.5Å; Y375-K379 HydrophobicContact CE1-CD 3.82Å; Y375-K379 HydrophobicContact CE1-CG 4.29Å; Y375-K379 HydrophobicContact CE2-CD 4.44Å; Y375-K379 HydrophobicContact CE2-CG 4.16Å; Y375-K379 WeakPolarHBondContact O-CG 3.19Å; Y375-K379 PolarHBondContact O-N 3.39Å
376	Q	86.9	Confident	92.5	Very high	125 Å²	125	41.2 Å²	41.2	58%	0.584	20%	0.204	S	C	*	.	H	α-helix	trans	-64.9	-37.7	178.2	-63.9	-60.2	-27.4	0	0	112.8	P374 K379 S380	P374-Q376 VanDerWaalsContact C-N 3.28Å; P374-Q376 PolarHBondContact O-N 3.35Å; Q376-K379 PolarHBondContact O-N 2.93Å; Q376-S380 PolarHBondContact O-N 3.05Å
377	E	89.8	Confident	92.7	Very high	101 Å²	101	40.5 Å²	40.5	47%	0.472	20%	0.199	S	C	.	.	H	α-helix	trans	-72.6	-38.3	175.9	-69.7	179.8	-124.6	0	0	111	L373 P374 Y375 K379 S380 Y381	L373-E377 HydrophobicContact CD1-CB 3.94Å; L373-E377 WeakPolarHBondContact CD1-OE2 3.33Å; L373-E377 HydrophobicContact CD2-CB 3.96Å; L373-E377 HydrophobicContact CG-CB 3.79Å; P374-E377 WeakPolarHBondContact CG-OE1 3.38Å; P374-E377 PolarHBondContact O-N 3.14Å; Y375-E377 VanDerWaalsContact C-N 3.35Å; Y375-E377 PolarHBondContact O-N 2.54Å; E377-K379 VanDerWaalsContact C-N 3.29Å; E377-K379 PolarHBondContact O-N 3.09Å; E377-S380 WeakPolarHBondContact O-CB 3.44Å; E377-S380 PolarHBondContact O-N 3.24Å; E377-Y381 WeakPolarHBondContact O-CD2 3.32Å; E377-Y381 PolarHBondContact O-N 3.22Å
378	L	91.7	Very high	92.7	Very high	19 Å²	19	40 Å²	40	10%	0.099	20%	0.196	C	C	.	.	H	α-helix	trans	-57.2	-41.7	173.3	176.9	60.2	0	0	0	111.9	V300 I339 L373 P374 Y375 S380 Y381 F382	V300-L378 HydrophobicContact CG1-CD1 4.34Å; V300-L378 HydrophobicContact CG1-CD2 4.12Å; V300-L378 HydrophobicContact CG2-CD1 3.78Å; I339-L378 HydrophobicContact CD1-CD1 4.27Å; I339-L378 HydrophobicContact CG2-CD1 4.19Å; L373-L378 HydrophobicContact CD2-CB 4.25Å; P374-L378 PolarHBondContact O-N 2.92Å; Y375-L378 WeakPolarHBondContact O-CB 3.37Å; Y375-L378 PolarHBondContact O-N 3.5Å; L378-S380 PolarHBondContact O-N 2.88Å; L378-Y381 PolarHBondContact O-N 2.69Å; L378-Y381 VanDerWaalsContact O-N 3.08Å; L378-F382 HydrophobicContact CD1-CD2 4.3Å; L378-F382 HydrophobicContact CD1-CE2 3.95Å; L378-F382 HydrophobicContact CD1-CZ 4.27Å; L378-F382 HydrophobicContact CD2-CE2 3.84Å; L378-F382 HydrophobicContact CD2-CZ 4.42Å; L378-F382 HydrophobicContact CG-CD2 3.92Å; L378-F382 HydrophobicContact CG-CE2 3.56Å; L378-F382 HydrophobicContact CG-CZ 4.31Å; L378-F382 PolarHBondContact O-N 3.49Å
379	K	90.3	Very high	92.8	Very high	24 Å²	24	37.5 Å²	37.5	10%	0.104	18%	0.184	C	C	.	.	H	α-helix	trans	-59.1	-34.3	174.3	-72.5	-163.7	-65.5	-173.6	0	113.5	D283 L284 Y375 Q376 E377 Y381 F382 G383	D283-K379 IonicContact OD1-NZ 2.76Å; D283-K379 PolarHBondContact OD1-NZ 3.23Å; D283-K379 VanDerWaalsContact OD2-CD 3.31Å; D283-K379 WeakPolarHBondContact OD2-CD 3.23Å; D283-K379 IonicContact OD2-NZ 2.89Å; D283-K379 PolarHBondContact OD2-NZ 3.12Å; L284-K379 HydrophobicContact CD2-CD 3.89Å; L284-K379 HydrophobicContact CD2-CG 3.8Å; Y375-K379 HydrophobicContact CE1-CD 3.82Å; Y375-K379 HydrophobicContact CE1-CG 4.29Å; Y375-K379 HydrophobicContact CE2-CD 4.44Å; Y375-K379 HydrophobicContact CE2-CG 4.16Å; Y375-K379 WeakPolarHBondContact O-CG 3.19Å; Y375-K379 PolarHBondContact O-N 3.39Å; Q376-K379 PolarHBondContact O-N 2.93Å; E377-K379 VanDerWaalsContact C-N 3.29Å; E377-K379 PolarHBondContact O-N 3.09Å; K379-Y381 VanDerWaalsContact C-N 3.35Å; K379-F382 PolarHBondContact O-N 3.35Å; K379-G383 PolarHBondContact O-N 3.34Å
380	S	90.3	Very high	92.8	Very high	47 Å²	47	36.2 Å²	36.2	33%	0.329	18%	0.179	S	C	.	.	H	α-helix	trans	-63.2	-42.1	174.6	-171.7	0	0	0	0	111.3	Q376 E377 L378 G383 R384	Q376-S380 PolarHBondContact O-N 3.05Å; E377-S380 WeakPolarHBondContact O-CB 3.44Å; E377-S380 PolarHBondContact O-N 3.24Å; L378-S380 PolarHBondContact O-N 2.88Å; S380-G383 PolarHBondContact O-N 3.42Å; S380-R384 VanDerWaalsContact O-CG 3.3Å; S380-R384 WeakPolarHBondContact O-CG 3.39Å; S380-R384 PolarHBondContact O-N 2.89Å; S380-R384 PolarHBondContact OG-NE 2.93Å; S380-R384 PolarHBondContact OG-NH2 3.01Å
381	Y	93.5	Very high	92.9	Very high	44 Å²	44	34.5 Å²	34.5	17%	0.173	17%	0.171	C	C	.	.	H	α-helix	trans	-67.1	-40.7	175.6	-73.3	-67.8	0	0	0	112.7	L337 I339 H370 L373 E377 L378 K379 G383 R384 C385	L337-Y381 HydrophobicContact CD1-CD1 3.51Å; L337-Y381 HydrophobicContact CD1-CE1 3.8Å; L337-Y381 HydrophobicContact CD1-CG 4.42Å; I339-Y381 HydrophobicContact CD1-CD2 3.58Å; I339-Y381 HydrophobicContact CD1-CE2 4.06Å; I339-Y381 HydrophobicContact CD1-CG 3.85Å; H370-Y381 AromaticContact CE1-CZ 3.88Å; H370-Y381 PolarHBondContact CE1-OH 2.93Å; L373-Y381 HydrophobicContact CD2-CD2 3.65Å; L373-Y381 HydrophobicContact CD2-CE2 3.64Å; E377-Y381 WeakPolarHBondContact O-CD2 3.32Å; E377-Y381 PolarHBondContact O-N 3.22Å; L378-Y381 PolarHBondContact O-N 2.69Å; L378-Y381 VanDerWaalsContact O-N 3.08Å; K379-Y381 VanDerWaalsContact C-N 3.35Å; Y381-G383 PolarHBondContact O-N 3.45Å; Y381-R384 PolarHBondContact O-N 3.45Å; Y381-C385 PolarHBondContact O-N 3.27Å; Y381-C385 PolarHBondContact O-SG 3.05Å
382	F	93.2	Very high	92.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-57.2	-35.3	170.9	-79.9	-48.4	0	0	0	112.5	L284 R293 L298 V300 L378 K379 R384 E403 S407 L409	L284-F382 HydrophobicContact CD2-CD2 4.3Å; R293-F382 PolarHBondContact NH1-O 3.22Å; L298-F382 HydrophobicContact CD2-CD1 3.49Å; L298-F382 VanDerWaalsContact CD2-CD1 3.49Å; L298-F382 HydrophobicContact CD2-CE1 3.69Å; L298-F382 HydrophobicContact CD2-CG 4.22Å; V300-F382 HydrophobicContact CG2-CE1 4.04Å; V300-F382 HydrophobicContact CG2-CZ 3.89Å; L378-F382 HydrophobicContact CD1-CD2 4.3Å; L378-F382 HydrophobicContact CD1-CE2 3.95Å; L378-F382 HydrophobicContact CD1-CZ 4.27Å; L378-F382 HydrophobicContact CD2-CE2 3.84Å; L378-F382 HydrophobicContact CD2-CZ 4.42Å; L378-F382 HydrophobicContact CG-CD2 3.92Å; L378-F382 HydrophobicContact CG-CE2 3.56Å; L378-F382 HydrophobicContact CG-CZ 4.31Å; L378-F382 PolarHBondContact O-N 3.49Å; K379-F382 PolarHBondContact O-N 3.35Å; F382-R384 VanDerWaalsContact C-N 3.31Å; F382-R384 PolarHBondContact O-N 2.76Å; F382-E403 HydrophobicContact CE1-CB 4.38Å; F382-E403 HydrophobicContact CE2-CB 4.14Å; F382-E403 HydrophobicContact CZ-CB 3.73Å; F382-S407 WeakPolarHBondContact CB-OG 3.4Å; F382-L409 HydrophobicContact CD1-CD1 4.23Å; F382-L409 HydrophobicContact CD1-CD2 4.15Å; F382-L409 WeakPolarHBondContact O-CD1 3.32Å
383	G	90.1	Very high	93.1	Very high	3 Å²	3	32.2 Å²	32.2	3%	0.031	16%	0.162	C	C	.	.	H	α-helix	trans	-71.6	-22.3	175.3	0	0	0	0	0	115.2	K379 S380 Y381	K379-G383 PolarHBondContact O-N 3.34Å; S380-G383 PolarHBondContact O-N 3.42Å; Y381-G383 PolarHBondContact O-N 3.45Å
384	R	91.8	Very high	93.1	Very high	109 Å²	109	33.8 Å²	33.8	41%	0.411	17%	0.17	S	C	.	.	H	α-helix	trans	-107.1	-28.1	-168.7	-71.2	173.9	-174.8	-175.6	1.2	113.9	V291 R293 F294 S380 Y381 F382	V291-R384 HydrophobicContact CG1-CG 4.4Å; R293-R384 CarbonylContact C-O 3.15Å; R293-R384 WeakPolarHBondContact CA-O 3.28Å; F294-R384 HydrophobicContact CD2-CB 4.08Å; F294-R384 HydrophobicContact CE2-CB 4.38Å; F294-R384 HydrophobicContact CE2-CG 4.38Å; F294-R384 PolarHBondContact N-O 3.25Å; S380-R384 VanDerWaalsContact O-CG 3.3Å; S380-R384 WeakPolarHBondContact O-CG 3.39Å; S380-R384 PolarHBondContact O-N 2.89Å; S380-R384 PolarHBondContact OG-NE 2.93Å; S380-R384 PolarHBondContact OG-NH2 3.01Å; Y381-R384 PolarHBondContact O-N 3.45Å; F382-R384 VanDerWaalsContact C-N 3.31Å; F382-R384 PolarHBondContact O-N 2.76Å
385	C	95	Very high	93.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.161	C	C	.	.			trans	-81.3	155.1	-178	-59.6	0	0	0	0	111.4	R293 W296 L298 Y381 L409	R293-C385 PolarHBondContact NH1-O 3.46Å; W296-C385 HydrophobicContact CB-CB 4.36Å; L298-C385 HydrophobicContact CB-CB 3.87Å; Y381-C385 PolarHBondContact O-N 3.27Å; Y381-C385 PolarHBondContact O-SG 3.05Å; C385-L409 HydrophobicContact CB-CD2 4.04Å
386	S	94.8	Very high	93.6	Very high	16 Å²	16	34.3 Å²	34.3	11%	0.112	17%	0.169	C	C	.	.	S	Bend	trans	-96.1	-33	178.4	-69.6	0	0	0	0	112.6	F294 W296 I410	F294-S386 WeakPolarHBondContact O-CB 3.23Å; F294-S386 PolarHBondContact O-N 3.17Å; F294-S386 PolarHBondContact O-OG 3.13Å; W296-S386 PolarHBondContact O-N 2.93Å; S386-I410 PolarHBondContact O-N 3.22Å
387	V	97.7	Very high	94	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	135.6	-172.9	174.8	0	0	0	0	110.7	W296 I297 L298 I410 I412 V458 L459	W296-V387 PolarHBondContact O-N 3.37Å; I297-V387 HydrophobicContact CB-CB 4.36Å; I297-V387 HydrophobicContact CG1-CB 4.03Å; I297-V387 HydrophobicContact CG1-CG1 4.3Å; I297-V387 HydrophobicContact CG1-CG2 4.5Å; I297-V387 HydrophobicContact CG2-CB 4.27Å; I297-V387 HydrophobicContact CG2-CG1 3.95Å; L298-V387 PolarHBondContact N-O 2.97Å; V387-I410 CarbonylContact C-O 3.6Å; V387-I410 VanDerWaalsContact CA-O 3.27Å; V387-I410 WeakPolarHBondContact CA-O 3.28Å; V387-I412 HydrophobicContact CG1-CD1 3.54Å; V387-I412 HydrophobicContact CG1-CG1 4.03Å; V387-V458 HydrophobicContact CG2-CB 4.39Å; V387-V458 HydrophobicContact CG2-CG1 3.73Å; V387-L459 HydrophobicContact CG2-CD2 3.77Å; V387-L459 HydrophobicContact CG2-CG 4.27Å
388	N	98	Very high	94.2	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.5	168.2	-179.3	32.9	0	0	0	108.7	L298 S400 I401 G404 L409 I410 T411 I412	L298-N388 CarbonylContact O-C 3.5Å; L298-N388 WeakPolarHBondContact O-CA 3.46Å; L298-N388 PolarHBondContact O-OD1 2.83Å; N388-S400 PolarHBondContact ND2-O 3.36Å; N388-S400 VanDerWaalsContact ND2-O 3.08Å; N388-I401 WeakPolarHBondContact ND2-CA 3.31Å; N388-I401 PolarHBondContact ND2-O 2.94Å; N388-G404 WeakPolarHBondContact ND2-CA 3.18Å; N388-L409 HydrophobicContact CB-CB 3.69Å; N388-L409 HydrophobicContact CB-CD2 3.71Å; N388-L409 HydrophobicContact CB-CG 4.34Å; N388-I410 PolarHBondContact N-O 3.31Å; N388-T411 HydrophobicContact CB-CG2 4.21Å; N388-T411 CarbonylContact O-C 3.57Å; N388-T411 WeakPolarHBondContact O-CA 3.05Å; N388-I412 PolarHBondContact O-N 3.24Å
389	L	98.7	Very high	94.4	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	130.5	-173.2	177.9	62.1	0	0	0	111.1	I297 L298 Q312 L336 T391 Y451 F455	I297-L389 HydrophobicContact CG2-CB 3.61Å; I297-L389 HydrophobicContact CG2-CD2 3.9Å; I297-L389 HydrophobicContact CG2-CG 4.35Å; L298-L389 PolarHBondContact O-N 2.8Å; Q312-L389 HydrophobicContact CB-CD2 3.81Å; Q312-L389 HydrophobicContact CG-CD2 3.84Å; Q312-L389 HydrophobicContact CG-CG 4.31Å; L336-L389 HydrophobicContact CD1-CD2 4.05Å; L389-T391 HydrophobicContact CD1-CG2 4.17Å; L389-T391 HydrophobicContact CG-CG2 4.46Å; L389-Y451 HydrophobicContact CD1-CD1 3.51Å; L389-Y451 HydrophobicContact CD1-CE1 3.44Å; L389-Y451 VanDerWaalsContact CD1-CE1 3.44Å; L389-F455 HydrophobicContact CD1-CE1 3.95Å; L389-F455 HydrophobicContact CD1-CZ 3.87Å; L389-F455 HydrophobicContact CD2-CZ 3.94Å
390	H	98.4	Very high	94.5	Very high	7 Å²	7	23.9 Å²	23.9	3%	0.032	12%	0.124	C	C	.	.			trans	-140.2	130.3	174.6	-166.6	-87.3	0	0	0	111.7	E395 I401 I412 A413 H414 Y451	H390-E395 IonicContact CE1-OE2 2.96Å; H390-E395 PolarHBondContact CE1-OE2 3.25Å; H390-E395 IonicContact NE2-OE2 2.73Å; H390-E395 PolarHBondContact NE2-OE2 3.49Å; H390-I401 HydrophobicContact CB-CD1 4.05Å; H390-I401 HydrophobicContact CB-CG1 3.78Å; H390-I412 PolarHBondContact N-O 3.05Å; H390-A413 HydrophobicContact CB-CB 4.27Å; H390-A413 CarbonylContact O-C 3.53Å; H390-A413 WeakPolarHBondContact O-CA 3.43Å; H390-H414 PolarHBondContact O-N 3.49Å; H390-H414 VanDerWaalsContact O-N 3.1Å; H390-Y451 PolarHBondContact O-OH 3.32Å
391	T	98	Very high	94.9	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	11%	0.108	C	C	.	.			trans	-128.7	1.9	-169.2	43.3	0	0	0	0	115	K307 N308 L311 Q312 L389 V393 Y451	K307-T391 PolarHBondContact O-OG1 2.73Å; K307-T391 VanDerWaalsContact O-OG1 3.1Å; N308-T391 PolarHBondContact O-OG1 2.74Å; L311-T391 HydrophobicContact CB-CG2 4.37Å; L311-T391 HydrophobicContact CD2-CG2 3.98Å; L311-T391 HydrophobicContact CG-CG2 4.02Å; Q312-T391 HydrophobicContact CG-CG2 3.55Å; Q312-T391 WeakPolarHBondContact CG-OG1 3.45Å; Q312-T391 PolarHBondContact NE2-OG1 2.76Å; L389-T391 HydrophobicContact CD1-CG2 4.17Å; L389-T391 HydrophobicContact CG-CG2 4.46Å; T391-V393 PolarHBondContact O-N 2.85Å; T391-Y451 HydrophobicContact CG2-CE1 3.94Å; T391-Y451 HydrophobicContact CG2-CE2 3.99Å
392	M	96.3	Very high	95	Very high	20 Å²	20	19.6 Å²	19.6	10%	0.099	10%	0.1	C	C	.	.			trans	-64.9	124.6	176	176.7	169.3	172.1	0	0	110.8	E306 K307 E395 H414	E306-M392 HydrophobicContact CB-CE 4.45Å; E306-M392 HydrophobicContact CG-CE 4.31Å; E306-M392 HydrophobicContact CG-SD 4.32Å; E306-M392 VanDerWaalsContact O-CG 3.31Å; E306-M392 WeakPolarHBondContact O-CG 3.4Å; K307-M392 HydrophobicContact CD-CB 4.13Å; K307-M392 HydrophobicContact CD-CG 4.49Å; K307-M392 HydrophobicContact CD-SD 3.76Å; K307-M392 PolarHBondContact NZ-SD 2.65Å; K307-M392 VanDerWaalsContact NZ-SD 3.43Å; M392-E395 HydrophobicContact CB-CB 4.21Å; M392-E395 HydrophobicContact CG-CB 4.07Å; M392-E395 HydrophobicContact SD-CB 4.33Å; M392-H414 WeakPolarHBondContact O-CB 3.46Å
393	V	93.5	Very high	95	Very high	72 Å²	72	20.4 Å²	20.4	44%	0.436	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	139.2	171.9	-173.9	0	0	0	0	109.1	T391 E395	T391-V393 PolarHBondContact O-N 2.85Å; V393-E395 PolarHBondContact O-N 3.12Å
394	D	91.5	Very high	95.3	Very high	68 Å²	68	20.3 Å²	20.3	36%	0.364	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	38	-176.9	-63.6	-31.2	0	0	0	113	W259 H396 S416	W259-D394 HydrophobicContact CH2-CB 4.29Å; W259-D394 HydrophobicContact CZ2-CB 4.01Å; D394-H396 PolarHBondContact O-CD2 2.8Å; D394-H396 VanDerWaalsContact O-CD2 3.25Å; D394-H396 PolarHBondContact O-N 2.98Å; D394-S416 PolarHBondContact N-OG 2.99Å; D394-S416 WeakPolarHBondContact OD1-CB 3.36Å
395	E	93.5	Very high	95.4	Very high	16 Å²	16	15.1 Å²	15.1	8%	0.075	8%	0.083	C	C	.	.			trans	-55.2	129.8	171.2	173.5	61	-108.1	0	0	110	K307 H390 M392 V393 F397 G417 G418 P419	K307-E395 IonicContact NZ-OE2 2.82Å; K307-E395 PolarHBondContact NZ-OE2 3.23Å; H390-E395 IonicContact CE1-OE2 2.96Å; H390-E395 PolarHBondContact CE1-OE2 3.25Å; H390-E395 IonicContact NE2-OE2 2.73Å; H390-E395 PolarHBondContact NE2-OE2 3.49Å; M392-E395 HydrophobicContact CB-CB 4.21Å; M392-E395 HydrophobicContact CG-CB 4.07Å; M392-E395 HydrophobicContact SD-CB 4.33Å; V393-E395 PolarHBondContact O-N 3.12Å; E395-F397 PolarHBondContact O-N 3.43Å; E395-F397 PolarHBondContact OE1-N 3.45Å; E395-G417 CarbonylContact O-C 3.55Å; E395-G417 WeakPolarHBondContact O-CA 3.23Å; E395-G418 PolarHBondContact O-N 3.33Å; E395-P419 HydrophobicContact CB-CG 3.9Å; E395-P419 HydrophobicContact CG-CG 4.1Å; E395-P419 WeakPolarHBondContact O-CD 3.35Å
396	H	93.2	Very high	95.4	Very high	46 Å²	46	15.2 Å²	15.2	21%	0.213	8%	0.084	C	C	.	.	S	Bend	trans	-71.3	-37.3	-170.8	-47.6	151	0	0	0	111.4	H186 Y187 S257 W259 D394	H186-H396 WeakPolarHBondContact O-CB 3.28Å; Y187-H396 WeakPolarHBondContact CB-CE1 3.4Å; Y187-H396 WeakPolarHBondContact CB-ND1 3.44Å; Y187-H396 AromaticContact CD2-CD2 3.49Å; Y187-H396 VanDerWaalsContact CD2-CD2 3.49Å; Y187-H396 WeakPolarHBondContact CD2-CD2 3.08Å; Y187-H396 AromaticContact CD2-CE1 3.66Å; Y187-H396 AromaticContact CD2-CG 3.97Å; Y187-H396 AromaticContact CD2-NE2 3.26Å; Y187-H396 VanDerWaalsContact CD2-NE2 3.26Å; Y187-H396 WeakPolarHBondContact CD2-NE2 3.49Å; Y187-H396 AromaticContact CE2-NE2 3.8Å; Y187-H396 AromaticContact CG-CE1 3.41Å; Y187-H396 VanDerWaalsContact CG-CE1 3.41Å; Y187-H396 AromaticContact CG-ND1 3.94Å; Y187-H396 AromaticContact CG-NE2 3.48Å; S257-H396 WeakPolarHBondContact CB-O 3.47Å; S257-H396 PolarHBondContact OG-O 3Å; W259-H396 HydrophobicContact CE3-CB 4.47Å; W259-H396 AromaticContact CH2-CD2 3.78Å; W259-H396 HydrophobicContact CZ3-CB 4.16Å; W259-H396 AromaticContact CZ3-CD2 3.4Å; W259-H396 VanDerWaalsContact CZ3-CD2 3.4Å; W259-H396 WeakPolarHBondContact CZ3-CD2 3.26Å; D394-H396 PolarHBondContact O-CD2 2.8Å; D394-H396 VanDerWaalsContact O-CD2 3.25Å; D394-H396 PolarHBondContact O-N 2.98Å
397	F	94.9	Very high	95.3	Very high	3 Å²	3	14.5 Å²	14.5	1%	0.013	8%	0.079	C	C	.	.			trans	-143.6	-70.5	172.1	-179.5	-102.4	0	0	0	110.8	N256 Y276 P277 E395 I399 V402 P419 I423 F482	N256-F397 VanDerWaalsContact O-CD2 3.22Å; N256-F397 WeakPolarHBondContact O-CD2 3.32Å; Y276-F397 AromaticContact CD1-CD2 3.93Å; Y276-F397 HydrophobicContact CD1-CD2 3.93Å; Y276-F397 AromaticContact CD1-CE2 3.39Å; Y276-F397 HydrophobicContact CD1-CE2 3.39Å; Y276-F397 HydrophobicContact CD1-CZ 4.28Å; Y276-F397 HydrophobicContact CE1-CE2 4.14Å; Y276-F397 AromaticContact CG-CE2 3.99Å; Y276-F397 HydrophobicContact CG-CE2 3.99Å; Y276-F397 HydrophobicContact CG-CZ 4.48Å; P277-F397 HydrophobicContact CG-CB 4.5Å; P277-F397 HydrophobicContact CG-CD1 3.14Å; P277-F397 HydrophobicContact CG-CD2 4.45Å; P277-F397 HydrophobicContact CG-CE1 3.26Å; P277-F397 HydrophobicContact CG-CG 3.78Å; P277-F397 HydrophobicContact CG-CZ 4Å; E395-F397 PolarHBondContact O-N 3.43Å; E395-F397 PolarHBondContact OE1-N 3.45Å; F397-I399 HydrophobicContact CD1-CG1 4.08Å; F397-I399 HydrophobicContact CE1-CG1 4.32Å; F397-V402 HydrophobicContact CE1-CG2 3.73Å; F397-V402 HydrophobicContact CZ-CG2 3.76Å; F397-P419 WeakPolarHBondContact O-CD 3.47Å; F397-I423 HydrophobicContact CD1-CD1 4.49Å; F397-I423 HydrophobicContact CD2-CD1 4.29Å; F397-I423 HydrophobicContact CD2-CG1 4.45Å; F397-I423 HydrophobicContact CE1-CD1 4.34Å; F397-I423 HydrophobicContact CE2-CD1 4.12Å; F397-I423 HydrophobicContact CE2-CG1 4.03Å; F397-I423 HydrophobicContact CG-CD1 4.49Å; F397-I423 HydrophobicContact CZ-CD1 4.16Å; F397-I423 HydrophobicContact CZ-CG1 4.34Å; F397-I423 WeakPolarHBondContact O-CD1 3.48Å; F397-F482 AromaticContact CE2-CD1 3.93Å; F397-F482 HydrophobicContact CE2-CD1 3.93Å; F397-F482 AromaticContact CE2-CE1 3.85Å; F397-F482 HydrophobicContact CE2-CE1 3.85Å; F397-F482 HydrophobicContact CZ-CB 4.49Å; F397-F482 AromaticContact CZ-CD1 3.62Å; F397-F482 HydrophobicContact CZ-CD1 3.62Å; F397-F482 AromaticContact CZ-CE1 3.98Å; F397-F482 HydrophobicContact CZ-CE1 3.98Å; F397-F482 HydrophobicContact CZ-CG 4.05Å
398	G	94.1	Very high	95.1	Very high	5 Å²	5	15 Å²	15	5%	0.052	8%	0.084	C	C	.	.			trans	97.6	75.7	-177.9	0	0	0	0	0	114	S400 I401 V402	G398-S400 VanDerWaalsContact C-N 3.28Å; G398-S400 PolarHBondContact O-N 3.33Å; G398-I401 VanDerWaalsContact O-CB 3.27Å; G398-I401 WeakPolarHBondContact O-CB 3.39Å; G398-I401 PolarHBondContact O-N 2.98Å; G398-I401 VanDerWaalsContact O-N 3.1Å; G398-V402 PolarHBondContact O-N 3.36Å
399	I	94.6	Very high	94.9	Very high	27 Å²	27	15 Å²	15	14%	0.138	8%	0.084	C	C	.	.	H	α-helix	trans	-58.1	-39.9	177.3	-65.9	173.6	0	0	0	111.4	P277 F397 I401 V402 E403	P277-I399 HydrophobicContact CB-CD1 3.88Å; P277-I399 HydrophobicContact CB-CG1 4.08Å; P277-I399 HydrophobicContact CG-CD1 4.08Å; P277-I399 HydrophobicContact CG-CG1 3.72Å; F397-I399 HydrophobicContact CD1-CG1 4.08Å; F397-I399 HydrophobicContact CE1-CG1 4.32Å; I399-I401 PolarHBondContact O-N 3.44Å; I399-V402 WeakPolarHBondContact O-CB 3.44Å; I399-V402 PolarHBondContact O-N 3.07Å; I399-V402 VanDerWaalsContact O-N 3.1Å; I399-E403 HydrophobicContact CG2-CG 4.16Å; I399-E403 WeakPolarHBondContact O-CG 3.13Å; I399-E403 PolarHBondContact O-N 3.2Å
400	S	94.4	Very high	94.7	Very high	16 Å²	16	15 Å²	15	11%	0.112	8%	0.084	C	C	.	.	H	α-helix	trans	-66.5	-23.2	179.2	55.4	0	0	0	0	114.1	V300 N388 G398 G404	V300-S400 VanDerWaalsContact O-CB 3.22Å; V300-S400 WeakPolarHBondContact O-CB 3.49Å; V300-S400 PolarHBondContact O-OG 2.97Å; N388-S400 PolarHBondContact ND2-O 3.36Å; N388-S400 VanDerWaalsContact ND2-O 3.08Å; G398-S400 VanDerWaalsContact C-N 3.28Å; G398-S400 PolarHBondContact O-N 3.33Å; S400-G404 PolarHBondContact O-N 2.91Å; S400-G404 VanDerWaalsContact O-N 3.1Å
401	I	96.8	Very high	94.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-65.8	-50.3	172.1	-57.5	175.1	0	0	0	108.4	N388 H390 G398 I399 E403 G404 M405 T411 A413 P419 I423	N388-I401 WeakPolarHBondContact ND2-CA 3.31Å; N388-I401 PolarHBondContact ND2-O 2.94Å; H390-I401 HydrophobicContact CB-CD1 4.05Å; H390-I401 HydrophobicContact CB-CG1 3.78Å; G398-I401 VanDerWaalsContact O-CB 3.27Å; G398-I401 WeakPolarHBondContact O-CB 3.39Å; G398-I401 PolarHBondContact O-N 2.98Å; G398-I401 VanDerWaalsContact O-N 3.1Å; I399-I401 PolarHBondContact O-N 3.44Å; I401-E403 PolarHBondContact O-N 3.35Å; I401-G404 PolarHBondContact O-N 2.9Å; I401-M405 HydrophobicContact CG2-SD 4.14Å; I401-M405 VanDerWaalsContact O-CG 3.28Å; I401-M405 WeakPolarHBondContact O-CG 3.24Å; I401-M405 PolarHBondContact O-N 3.24Å; I401-T411 HydrophobicContact CB-CG2 4.49Å; I401-T411 HydrophobicContact CG2-CG2 3.52Å; I401-A413 HydrophobicContact CD1-CB 3.92Å; I401-A413 HydrophobicContact CG2-CB 4.33Å; I401-P419 HydrophobicContact CD1-CB 4.02Å; I401-P419 HydrophobicContact CD1-CG 3.49Å; I401-P419 VanDerWaalsContact CD1-CG 3.49Å; I401-I423 HydrophobicContact CB-CD1 4.22Å; I401-I423 HydrophobicContact CD1-CD1 4.41Å; I401-I423 HydrophobicContact CG2-CD1 4.26Å; I401-I423 HydrophobicContact CG2-CG2 3.87Å
402	V	96.1	Very high	94.7	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.2	-40.5	177.9	-176.8	0	0	0	0	111.6	C279 V281 F397 G398 I399 G404 M405 A406 I423 V478 F482	C279-V402 HydrophobicContact CB-CB 4.13Å; C279-V402 HydrophobicContact CB-CG1 3.53Å; V281-V402 HydrophobicContact CG2-CG1 4.4Å; F397-V402 HydrophobicContact CE1-CG2 3.73Å; F397-V402 HydrophobicContact CZ-CG2 3.76Å; G398-V402 PolarHBondContact O-N 3.36Å; I399-V402 WeakPolarHBondContact O-CB 3.44Å; I399-V402 PolarHBondContact O-N 3.07Å; I399-V402 VanDerWaalsContact O-N 3.1Å; V402-G404 PolarHBondContact O-N 2.81Å; V402-M405 PolarHBondContact O-N 2.88Å; V402-A406 VanDerWaalsContact O-CB 3.31Å; V402-A406 WeakPolarHBondContact O-CB 3.42Å; V402-A406 PolarHBondContact O-N 3.22Å; V402-I423 HydrophobicContact CG2-CD1 3.86Å; V402-I423 HydrophobicContact CG2-CG1 4.4Å; V402-I423 HydrophobicContact CG2-CG2 4.44Å; V402-V478 HydrophobicContact CG1-CB 3.87Å; V402-V478 HydrophobicContact CG1-CG1 3.89Å; V402-F482 HydrophobicContact CG1-CB 3.65Å; V402-F482 HydrophobicContact CG1-CD2 3.92Å; V402-F482 HydrophobicContact CG1-CG 4.15Å; V402-F482 HydrophobicContact CG2-CB 4.33Å; V402-F482 HydrophobicContact CG2-CD2 3.89Å; V402-F482 HydrophobicContact CG2-CE2 4.47Å; V402-F482 HydrophobicContact CG2-CG 4.15Å
403	E	94.7	Very high	94.8	Very high	18 Å²	18	13.7 Å²	13.7	8%	0.084	8%	0.077	C	C	.	.	H	α-helix	trans	-61	-43.7	176.5	-71.3	174.7	150.4	0	0	112.1	R61 P280 L284 F382 I399 I401 A406 S407	R61-E403 IonicContact NH1-OE1 2.69Å; R61-E403 PolarHBondContact NH1-OE1 2.95Å; P280-E403 HydrophobicContact CG-CG 4.18Å; L284-E403 HydrophobicContact CD1-CB 3.87Å; L284-E403 HydrophobicContact CD1-CG 4.02Å; F382-E403 HydrophobicContact CE1-CB 4.38Å; F382-E403 HydrophobicContact CE2-CB 4.14Å; F382-E403 HydrophobicContact CZ-CB 3.73Å; I399-E403 HydrophobicContact CG2-CG 4.16Å; I399-E403 WeakPolarHBondContact O-CG 3.13Å; I399-E403 PolarHBondContact O-N 3.2Å; I401-E403 PolarHBondContact O-N 3.35Å; E403-A406 PolarHBondContact O-N 3.29Å; E403-S407 VanDerWaalsContact O-CB 3.28Å; E403-S407 WeakPolarHBondContact O-CB 3.42Å; E403-S407 PolarHBondContact O-N 3.25Å; E403-S407 PolarHBondContact O-OG 2.75Å
404	G	95.3	Very high	95	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-65.7	-40.6	175.8	0	0	0	0	0	112.8	N388 S400 I401 V402 S407 G408 L409	N388-G404 WeakPolarHBondContact ND2-CA 3.18Å; S400-G404 PolarHBondContact O-N 2.91Å; S400-G404 VanDerWaalsContact O-N 3.1Å; I401-G404 PolarHBondContact O-N 2.9Å; V402-G404 PolarHBondContact O-N 2.81Å; G404-S407 CarbonylContact O-C 3.53Å; G404-S407 PolarHBondContact O-N 2.86Å; G404-G408 PolarHBondContact O-N 2.89Å; G404-L409 WeakPolarHBondContact O-CB 3.32Å; G404-L409 PolarHBondContact O-N 3.39Å
405	M	94.9	Very high	95.2	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-62.9	-45.5	175	-68.6	172.3	73.3	0	0	112.2	I401 V402 S407 G408 T411 I423 V441 A474 T475 V478	I401-M405 HydrophobicContact CG2-SD 4.14Å; I401-M405 VanDerWaalsContact O-CG 3.28Å; I401-M405 WeakPolarHBondContact O-CG 3.24Å; I401-M405 PolarHBondContact O-N 3.24Å; V402-M405 PolarHBondContact O-N 2.88Å; M405-S407 PolarHBondContact O-N 2.99Å; M405-G408 PolarHBondContact O-N 3.18Å; M405-G408 VanDerWaalsContact O-N 3.1Å; M405-T411 HydrophobicContact CG-CG2 4.09Å; M405-T411 VanDerWaalsContact CG-OG1 3.23Å; M405-T411 WeakPolarHBondContact CG-OG1 3.31Å; M405-I423 HydrophobicContact CE-CG2 4.19Å; M405-I423 HydrophobicContact SD-CG2 3.42Å; M405-I423 WeakPolarHBondContact SD-CG2 3.22Å; M405-V441 HydrophobicContact CE-CB 3.67Å; M405-V441 HydrophobicContact CE-CG2 3.43Å; M405-V441 VanDerWaalsContact CE-CG2 3.43Å; M405-A474 HydrophobicContact CB-CB 4.28Å; M405-A474 HydrophobicContact CE-CB 3.98Å; M405-T475 PolarHBondContact O-OG1 3.4Å; M405-V478 HydrophobicContact CB-CG1 3.64Å; M405-V478 HydrophobicContact CE-CG1 3.66Å; M405-V478 HydrophobicContact CG-CG1 4.41Å; M405-V478 HydrophobicContact SD-CG1 3.93Å
406	A	93.8	Very high	95.2	Very high	2 Å²	2	12.2 Å²	12.2	2%	0.017	6%	0.061	C	C	.	.	H	α-helix	trans	-60.8	-30.7	175.1	0	0	0	0	0	111.9	V281 L284 V402 E403 G408 V478	V281-A406 HydrophobicContact CB-CB 4.31Å; V281-A406 HydrophobicContact CG1-CB 4.1Å; V281-A406 HydrophobicContact CG2-CB 4.12Å; L284-A406 HydrophobicContact CB-CB 4.08Å; L284-A406 HydrophobicContact CD1-CB 4.1Å; V402-A406 VanDerWaalsContact O-CB 3.31Å; V402-A406 WeakPolarHBondContact O-CB 3.42Å; V402-A406 PolarHBondContact O-N 3.22Å; E403-A406 PolarHBondContact O-N 3.29Å; A406-G408 VanDerWaalsContact C-N 3.3Å; A406-G408 PolarHBondContact O-N 3.3Å; A406-V478 HydrophobicContact CB-CG2 3.89Å
407	S	93.3	Very high	95.2	Very high	2 Å²	2	10.1 Å²	10.1	1%	0.014	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	2.9	178.9	-57.6	0	0	0	0	114.5	R293 F382 E403 G404 M405	R293-S407 PolarHBondContact NH2-O 2.91Å; F382-S407 WeakPolarHBondContact CB-OG 3.4Å; E403-S407 VanDerWaalsContact O-CB 3.28Å; E403-S407 WeakPolarHBondContact O-CB 3.42Å; E403-S407 PolarHBondContact O-N 3.25Å; E403-S407 PolarHBondContact O-OG 2.75Å; G404-S407 CarbonylContact O-C 3.53Å; G404-S407 PolarHBondContact O-N 2.86Å; M405-S407 PolarHBondContact O-N 2.99Å
408	G	92.3	Very high	95.2	Very high	9 Å²	9	10 Å²	10	9%	0.093	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	23.1	-179.9	0	0	0	0	0	114.5	G404 M405 A406 R471	G404-G408 PolarHBondContact O-N 2.89Å; M405-G408 PolarHBondContact O-N 3.18Å; M405-G408 VanDerWaalsContact O-N 3.1Å; A406-G408 VanDerWaalsContact C-N 3.3Å; A406-G408 PolarHBondContact O-N 3.3Å; G408-R471 VanDerWaalsContact O-CD 3.23Å; G408-R471 WeakPolarHBondContact O-CD 2.76Å; G408-R471 VanDerWaalsContact O-CG 3.28Å; G408-R471 WeakPolarHBondContact O-CG 2.93Å; G408-R471 PolarHBondContact O-NE 2.89Å
409	L	94.8	Very high	95.3	Very high	2 Å²	2	9.8 Å²	9.8	1%	0.01	5%	0.049	C	C	.	.			trans	-83.1	139.5	168.9	-77.2	66.8	0	0	0	109.5	L298 F382 C385 N388 G404 T411	L298-L409 HydrophobicContact CB-CD2 4.06Å; L298-L409 HydrophobicContact CD2-CD2 3.94Å; F382-L409 HydrophobicContact CD1-CD1 4.23Å; F382-L409 HydrophobicContact CD1-CD2 4.15Å; F382-L409 WeakPolarHBondContact O-CD1 3.32Å; C385-L409 HydrophobicContact CB-CD2 4.04Å; N388-L409 HydrophobicContact CB-CB 3.69Å; N388-L409 HydrophobicContact CB-CD2 3.71Å; N388-L409 HydrophobicContact CB-CG 4.34Å; G404-L409 WeakPolarHBondContact O-CB 3.32Å; G404-L409 PolarHBondContact O-N 3.39Å; L409-T411 PolarHBondContact O-N 2.97Å; L409-T411 VanDerWaalsContact O-N 3.14Å; L409-T411 PolarHBondContact O-OG1 3.47Å
410	I	95.5	Very high	95.4	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.005	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	113.8	167.8	-58.2	-60.6	0	0	0	107.7	S386 V387 N388 F443 V458 I467 I470 R471	S386-I410 PolarHBondContact O-N 3.22Å; V387-I410 CarbonylContact C-O 3.6Å; V387-I410 VanDerWaalsContact CA-O 3.27Å; V387-I410 WeakPolarHBondContact CA-O 3.28Å; N388-I410 PolarHBondContact N-O 3.31Å; I410-F443 HydrophobicContact CG2-CD2 3.83Å; I410-F443 HydrophobicContact CG2-CE2 3.61Å; I410-V458 HydrophobicContact CB-CG1 3.85Å; I410-V458 HydrophobicContact CG1-CG1 3.95Å; I410-V458 HydrophobicContact CG2-CB 4.46Å; I410-V458 HydrophobicContact CG2-CG1 3.84Å; I410-V458 HydrophobicContact CG2-CG2 3.71Å; I410-I467 HydrophobicContact CD1-CG2 3.91Å; I410-I467 HydrophobicContact CG1-CG2 3.92Å; I410-I470 HydrophobicContact CD1-CB 3.72Å; I410-I470 HydrophobicContact CD1-CG2 3.52Å; I410-R471 HydrophobicContact CD1-CG 3.97Å
411	T	97	Very high	95.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	130.1	-169.2	-62.5	0	0	0	0	111.2	N388 I401 M405 L409 I424 G442 F443	N388-T411 HydrophobicContact CB-CG2 4.21Å; N388-T411 CarbonylContact O-C 3.57Å; N388-T411 WeakPolarHBondContact O-CA 3.05Å; I401-T411 HydrophobicContact CB-CG2 4.49Å; I401-T411 HydrophobicContact CG2-CG2 3.52Å; M405-T411 HydrophobicContact CG-CG2 4.09Å; M405-T411 VanDerWaalsContact CG-OG1 3.23Å; M405-T411 WeakPolarHBondContact CG-OG1 3.31Å; L409-T411 PolarHBondContact O-N 2.97Å; L409-T411 VanDerWaalsContact O-N 3.14Å; L409-T411 PolarHBondContact O-OG1 3.47Å; T411-I424 HydrophobicContact CG2-CD1 4.21Å; T411-G442 CarbonylContact O-C 3.53Å; T411-G442 VanDerWaalsContact O-CA 3.25Å; T411-G442 WeakPolarHBondContact O-CA 3.41Å; T411-F443 PolarHBondContact O-N 2.89Å
412	I	98.2	Very high	95.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	108.9	177.8	-47.5	169.9	0	0	0	107.6	V387 N388 H390 F443 A445 Y451 I454 F455	V387-I412 HydrophobicContact CG1-CD1 3.54Å; V387-I412 HydrophobicContact CG1-CG1 4.03Å; N388-I412 PolarHBondContact O-N 3.24Å; H390-I412 PolarHBondContact N-O 3.05Å; I412-F443 WeakPolarHBondContact CA-O 3.49Å; I412-F443 HydrophobicContact CG1-CB 4.44Å; I412-F443 HydrophobicContact CG2-CB 4.38Å; I412-A445 HydrophobicContact CG2-CB 4.3Å; I412-Y451 HydrophobicContact CB-CE1 4.46Å; I412-Y451 HydrophobicContact CG2-CD1 3.61Å; I412-Y451 HydrophobicContact CG2-CE1 3.62Å; I412-I454 HydrophobicContact CD1-CB 4.09Å; I412-I454 HydrophobicContact CD1-CG2 3.39Å; I412-I454 HydrophobicContact CG1-CG2 3.71Å; I412-I454 HydrophobicContact CG2-CD1 3.98Å; I412-I454 HydrophobicContact CG2-CG2 4.25Å; I412-F455 HydrophobicContact CD1-CD1 3.57Å; I412-F455 HydrophobicContact CD1-CE1 3.65Å
413	A	98	Very high	95.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	163.6	-177.5	0	0	0	0	0	112.5	H390 I401 P419 I424 F443 L444 A445	H390-A413 HydrophobicContact CB-CB 4.27Å; H390-A413 CarbonylContact O-C 3.53Å; H390-A413 WeakPolarHBondContact O-CA 3.43Å; I401-A413 HydrophobicContact CD1-CB 3.92Å; I401-A413 HydrophobicContact CG2-CB 4.33Å; A413-P419 HydrophobicContact CB-CB 3.85Å; A413-I424 HydrophobicContact CB-CD1 3.61Å; A413-F443 PolarHBondContact N-O 3.45Å; A413-L444 HydrophobicContact CB-CD2 4.35Å; A413-L444 WeakPolarHBondContact O-CA 3.44Å; A413-A445 PolarHBondContact O-N 3.45Å
414	H	97.2	Very high	95.4	Very high	15 Å²	15	12.6 Å²	12.6	7%	0.069	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	138.6	177.2	-167.4	-85	0	0	0	111.5	H390 M392 S416 P419 A445 Y451	H390-H414 PolarHBondContact O-N 3.49Å; H390-H414 VanDerWaalsContact O-N 3.1Å; M392-H414 WeakPolarHBondContact O-CB 3.46Å; H414-S416 PolarHBondContact CE1-OG 3.26Å; H414-S416 PolarHBondContact ND1-OG 2.9Å; H414-S416 PolarHBondContact O-N 3.43Å; H414-P419 WeakPolarHBondContact O-CB 3.46Å; H414-A445 CarbonylContact C-O 3.59Å; H414-A445 WeakPolarHBondContact CA-O 3.31Å; H414-Y451 VanDerWaalsContact CA-OH 3.28Å; H414-Y451 WeakPolarHBondContact CA-OH 3.04Å; H414-Y451 PolarHBondContact N-OH 2.8Å
415	R	96	Very high	95	Very high	97 Å²	97	13.3 Å²	13.3	37%	0.366	7%	0.073	S	C	.	.	S	Bend	trans	-75.9	54.6	180	-161.9	-174.6	-64	121	4.6	113.3	L420 L444 A445 S446 E450	R415-L420 HydrophobicContact CG-CD1 4.16Å; R415-L444 HydrophobicContact CB-CB 3.96Å; R415-L444 HydrophobicContact CG-CB 3.95Å; R415-L444 HydrophobicContact CG-CD1 4.19Å; R415-L444 PolarHBondContact NH2-O 2.75Å; R415-A445 PolarHBondContact N-O 2.97Å; R415-S446 VanDerWaalsContact CB-OG 3.31Å; R415-S446 WeakPolarHBondContact CB-OG 3.49Å; R415-E450 IonicContact CZ-OE1 2.93Å; R415-E450 IonicContact CZ-OE2 3.84Å; R415-E450 IonicContact NH1-OE1 2.97Å; R415-E450 PolarHBondContact NH1-OE1 2.87Å; R415-E450 IonicContact NH1-OE2 3.68Å; R415-E450 PolarHBondContact NH1-OE2 3.25Å; R415-E450 VanDerWaalsContact NH2-CD 3.33Å; R415-E450 IonicContact NH2-OE1 2.97Å; R415-E450 PolarHBondContact NH2-OE1 3.48Å; R415-E450 IonicContact NH2-OE2 2.78Å; R415-E450 PolarHBondContact NH2-OE2 3.01Å
416	S	94.1	Very high	94.5	Very high	13 Å²	13	16.4 Å²	16.4	9%	0.091	9%	0.093	C	C	.	.	S	Bend	trans	-160.4	162.1	176.9	62.9	0	0	0	0	111.1	D394 H414 P419	D394-S416 PolarHBondContact N-OG 2.99Å; D394-S416 WeakPolarHBondContact OD1-CB 3.36Å; H414-S416 PolarHBondContact CE1-OG 3.26Å; H414-S416 PolarHBondContact ND1-OG 2.9Å; H414-S416 PolarHBondContact O-N 3.43Å; S416-P419 WeakPolarHBondContact O-CD 3.44Å
417	G	93.5	Very high	93.7	Very high	3 Å²	3	17.1 Å²	17.1	3%	0.031	10%	0.098	C	C	.	.	S	Bend	trans	66.4	-155.8	175.6	0	0	0	0	0	113.3	E395 P419 L420 T421	E395-G417 CarbonylContact O-C 3.55Å; E395-G417 WeakPolarHBondContact O-CA 3.23Å; G417-P419 VanDerWaalsContact C-CD 3.43Å; G417-P419 VanDerWaalsContact C-N 3.34Å; G417-L420 PolarHBondContact O-N 2.9Å; G417-T421 PolarHBondContact O-N 3.41Å; G417-T421 PolarHBondContact O-OG1 3.36Å
418	G	95.2	Very high	92.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-52.4	-38.6	176.4	0	0	0	0	0	115.2	E395 L420 T421 D422 I423	E395-G418 PolarHBondContact O-N 3.33Å; G418-L420 VanDerWaalsContact C-N 3.26Å; G418-L420 PolarHBondContact O-N 3.4Å; G418-T421 WeakPolarHBondContact CA-OG1 3.24Å; G418-T421 PolarHBondContact O-N 3.44Å; G418-D422 WeakPolarHBondContact O-CA 3.41Å; G418-D422 WeakPolarHBondContact O-CB 3.49Å; G418-D422 PolarHBondContact O-N 3.44Å; G418-I423 PolarHBondContact O-N 3.33Å; G418-I423 VanDerWaalsContact O-N 3.08Å
419	P	96.4	Very high	90	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.139	C	C	.	.	I	π-helix	trans	-55.5	-39.9	173.4	-27.7	33.6	0	0	0	113.7	E395 F397 I401 A413 H414 S416 G417 I424 G425 L444	E395-P419 HydrophobicContact CB-CG 3.9Å; E395-P419 HydrophobicContact CG-CG 4.1Å; E395-P419 WeakPolarHBondContact O-CD 3.35Å; F397-P419 WeakPolarHBondContact O-CD 3.47Å; I401-P419 HydrophobicContact CD1-CB 4.02Å; I401-P419 HydrophobicContact CD1-CG 3.49Å; I401-P419 VanDerWaalsContact CD1-CG 3.49Å; A413-P419 HydrophobicContact CB-CB 3.85Å; H414-P419 WeakPolarHBondContact O-CB 3.46Å; S416-P419 WeakPolarHBondContact O-CD 3.44Å; G417-P419 VanDerWaalsContact C-CD 3.43Å; G417-P419 VanDerWaalsContact C-N 3.34Å; P419-I424 PolarHBondContact O-N 3.38Å; P419-G425 PolarHBondContact O-N 2.99Å; P419-L444 HydrophobicContact CB-CD2 4.46Å
420	L	95.4	Very high	87.1	Confident	68 Å²	68	30.1 Å²	30.1	36%	0.356	17%	0.173	S	C	.	.	I	π-helix	trans	-79.9	-41.8	177.9	171.1	64.8	0	0	0	112.3	R415 G417 G418 G425 P426 L444	R415-L420 HydrophobicContact CG-CD1 4.16Å; G417-L420 PolarHBondContact O-N 2.9Å; G418-L420 VanDerWaalsContact C-N 3.26Å; G418-L420 PolarHBondContact O-N 3.4Å; L420-G425 WeakPolarHBondContact O-CA 3.2Å; L420-G425 PolarHBondContact O-N 3.12Å; L420-P426 WeakPolarHBondContact O-CD 3.2Å; L420-L444 HydrophobicContact CB-CD1 4.46Å; L420-L444 HydrophobicContact CD1-CD1 3.61Å
421	T	95	Very high	84.4	Confident	51 Å²	51	36.6 Å²	36.6	31%	0.313	22%	0.219	S	C	.	.	I	π-helix	trans	-91.3	-19.9	-169.7	50.5	0	0	0	0	114.4	W259 G417 G418 P426	W259-T421 WeakPolarHBondContact CB-OG1 3.4Å; G417-T421 PolarHBondContact O-N 3.41Å; G417-T421 PolarHBondContact O-OG1 3.36Å; G418-T421 WeakPolarHBondContact CA-OG1 3.24Å; G418-T421 PolarHBondContact O-N 3.44Å; T421-P426 VanDerWaalsContact C-CG 3.41Å; T421-P426 WeakPolarHBondContact O-CG 3.31Å
422	D	96.2	Very high	81.4	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.011	24%	0.244	C	C	.	.	I	π-helix	trans	-129.4	-41.9	-169	-60.6	-83.7	0	0	0	112.6	S257 S258 W259 Y276 G418 F482	S257-D422 WeakPolarHBondContact CB-OD2 3.45Å; S258-D422 WeakPolarHBondContact CA-OD1 3.46Å; S258-D422 WeakPolarHBondContact CB-OD1 2.92Å; S258-D422 PolarHBondContact N-OD1 2.68Å; S258-D422 PolarHBondContact N-OD2 3.43Å; S258-D422 PolarHBondContact OG-OD1 3.2Å; S258-D422 PolarHBondContact OG-OD2 3.33Å; W259-D422 PolarHBondContact N-OD2 2.71Å; Y276-D422 HydrophobicContact CE1-CB 3.8Å; Y276-D422 WeakPolarHBondContact CE1-OD1 3.41Å; Y276-D422 PolarHBondContact OH-OD1 3.3Å; G418-D422 WeakPolarHBondContact O-CA 3.41Å; G418-D422 WeakPolarHBondContact O-CB 3.49Å; G418-D422 PolarHBondContact O-N 3.44Å; D422-F482 WeakPolarHBondContact O-CZ 3.23Å
423	I	96.2	Very high	78.7	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	29%	0.285	C	S	.	.	I	π-helix	trans	-94.3	-68	-169.3	-54.6	178.1	0	0	0	112.7	F397 I401 V402 M405 G418 W477 F482	F397-I423 HydrophobicContact CD1-CD1 4.49Å; F397-I423 HydrophobicContact CD2-CD1 4.29Å; F397-I423 HydrophobicContact CD2-CG1 4.45Å; F397-I423 HydrophobicContact CE1-CD1 4.34Å; F397-I423 HydrophobicContact CE2-CD1 4.12Å; F397-I423 HydrophobicContact CE2-CG1 4.03Å; F397-I423 HydrophobicContact CG-CD1 4.49Å; F397-I423 HydrophobicContact CZ-CD1 4.16Å; F397-I423 HydrophobicContact CZ-CG1 4.34Å; F397-I423 WeakPolarHBondContact O-CD1 3.48Å; I401-I423 HydrophobicContact CB-CD1 4.22Å; I401-I423 HydrophobicContact CD1-CD1 4.41Å; I401-I423 HydrophobicContact CG2-CD1 4.26Å; I401-I423 HydrophobicContact CG2-CG2 3.87Å; V402-I423 HydrophobicContact CG2-CD1 3.86Å; V402-I423 HydrophobicContact CG2-CG1 4.4Å; V402-I423 HydrophobicContact CG2-CG2 4.44Å; M405-I423 HydrophobicContact CE-CG2 4.19Å; M405-I423 HydrophobicContact SD-CG2 3.42Å; M405-I423 WeakPolarHBondContact SD-CG2 3.22Å; G418-I423 PolarHBondContact O-N 3.33Å; G418-I423 VanDerWaalsContact O-N 3.08Å; I423-W477 PolarHBondContact O-NE1 2.6Å; I423-F482 HydrophobicContact CG1-CE2 4.47Å; I423-F482 HydrophobicContact CG1-CZ 4.23Å; I423-F482 HydrophobicContact CG2-CE2 4.35Å
424	I	94.8	Very high	75.9	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	31%	0.309	C	S	.	.	S	Bend	trans	-94.6	-52.7	-172.9	-56.7	-175.1	0	0	0	110.6	T411 A413 P419 S427 E428 V441 F443 L444	T411-I424 HydrophobicContact CG2-CD1 4.21Å; A413-I424 HydrophobicContact CB-CD1 3.61Å; P419-I424 PolarHBondContact O-N 3.38Å; I424-S427 WeakPolarHBondContact O-CB 3.39Å; I424-S427 PolarHBondContact O-N 2.84Å; I424-S427 PolarHBondContact O-OG 3.23Å; I424-E428 PolarHBondContact O-N 3.21Å; I424-V441 HydrophobicContact CB-CG2 4.46Å; I424-V441 HydrophobicContact CG2-CG2 4.31Å; I424-F443 WeakPolarHBondContact CD1-O 3.39Å; I424-L444 HydrophobicContact CB-CD1 4.45Å; I424-L444 HydrophobicContact CB-CD2 3.91Å; I424-L444 HydrophobicContact CB-CG 4.05Å; I424-L444 HydrophobicContact CD1-CD2 4.1Å; I424-L444 HydrophobicContact CG1-CD2 4.44Å; I424-L444 HydrophobicContact CG2-CD1 4.35Å; I424-L444 HydrophobicContact CG2-CD2 4.21Å; I424-L444 HydrophobicContact CG2-CG 3.83Å
425	G	86.6	Confident	73.4	Confident	15 Å²	15	57.4 Å²	57.4	16%	0.155	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-57.1	-40.1	-171.4	0	0	0	0	0	115.3	P419 L420 S427 E428	P419-G425 PolarHBondContact O-N 2.99Å; L420-G425 WeakPolarHBondContact O-CA 3.2Å; L420-G425 PolarHBondContact O-N 3.12Å; G425-S427 PolarHBondContact O-N 3.09Å; G425-S427 VanDerWaalsContact O-N 3.16Å; G425-E428 WeakPolarHBondContact O-CB 3.35Å; G425-E428 PolarHBondContact O-N 2.66Å; G425-E428 VanDerWaalsContact O-N 3.11Å
426	P	84.3	Confident	71.1	Confident	64 Å²	64	57.8 Å²	57.8	42%	0.416	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-68.9	-13.4	178.1	-20.8	35	0	0	0	114.4	L420 T421 W477	L420-P426 WeakPolarHBondContact O-CD 3.2Å; T421-P426 VanDerWaalsContact C-CG 3.41Å; T421-P426 WeakPolarHBondContact O-CG 3.31Å; P426-W477 HydrophobicContact CB-CH2 4.15Å; P426-W477 HydrophobicContact CB-CZ2 4.1Å
427	S	77.7	Confident	69	Low	18 Å²	18	64.7 Å²	64.7	13%	0.126	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-91.6	-19	174.8	81.3	0	0	0	0	112.9	I424 G425 T429 V441	I424-S427 WeakPolarHBondContact O-CB 3.39Å; I424-S427 PolarHBondContact O-N 2.84Å; I424-S427 PolarHBondContact O-OG 3.23Å; G425-S427 PolarHBondContact O-N 3.09Å; G425-S427 VanDerWaalsContact O-N 3.16Å; S427-T429 VanDerWaalsContact C-N 3.34Å; S427-T429 PolarHBondContact O-N 3.04Å; S427-V441 VanDerWaalsContact CB-CG1 3.5Å; S427-V441 WeakPolarHBondContact OG-CG1 3.41Å; S427-V441 WeakPolarHBondContact OG-CG2 3.41Å
428	E	64	Low	67.2	Low	97 Å²	97	68.9 Å²	68.9	45%	0.453	40%	0.402	S	S	.	.	S	Bend	trans	-67	98.7	171.5	-66.4	-175.6	-173.4	0	0	106.4	I424 G425 S430	I424-E428 PolarHBondContact O-N 3.21Å; G425-E428 WeakPolarHBondContact O-CB 3.35Å; G425-E428 PolarHBondContact O-N 2.66Å; G425-E428 VanDerWaalsContact O-N 3.11Å; E428-S430 VanDerWaalsContact C-N 3.28Å; E428-S430 PolarHBondContact O-N 2.86Å
429	T	43	Very low	65.9	Low	83 Å²	83	70.4 Å²	70.4	51%	0.509	41%	0.413	S	S	.	.			trans	-66.3	93.6	176.3	9.3	0	0	0	0	107.5	S427 N438	S427-T429 VanDerWaalsContact C-N 3.34Å; S427-T429 PolarHBondContact O-N 3.04Å; T429-N438 VanDerWaalsContact CB-ND2 3.33Å; T429-N438 WeakPolarHBondContact CB-ND2 3.38Å; T429-N438 VanDerWaalsContact OG1-CG 3.28Å; T429-N438 PolarHBondContact OG1-ND2 3.14Å
430	S	34.4	Very low	65.5	Low	105 Å²	105	71.1 Å²	71.1	73%	0.734	42%	0.42	S	S	*	.	S	Bend	trans	31.1	100.9	155.4	-52.9	0	0	0	0	116.1	E428 S432	E428-S430 VanDerWaalsContact C-N 3.28Å; E428-S430 PolarHBondContact O-N 2.86Å; S430-S432 PolarHBondContact O-N 3.38Å
431	S	38.7	Very low	65.5	Low	138 Å²	138	68.2 Å²	68.2	97%	0.965	41%	0.405	S	S	*	.			trans	34.6	70	144.4	-53.9	0	0	0	0	117.4
432	S	34.1	Very low	65.5	Low	77 Å²	77	66 Å²	66	54%	0.538	39%	0.393	S	S	.	.			trans	-130.3	127.6	155.8	59.4	0	0	0	0	109.2	S430 N434	S430-S432 PolarHBondContact O-N 3.38Å; S432-N434 PolarHBondContact O-N 3.22Å
433	S	42	Very low	65.5	Low	123 Å²	123	67.2 Å²	67.2	86%	0.86	40%	0.398	S	S	*	.	S	Bend	trans	-60.3	7.6	-176	44.3	0	0	0	0	115.9
434	N	38.9	Very low	65.6	Low	93 Å²	93	67.7 Å²	67.7	50%	0.497	40%	0.401	S	S	.	.			trans	-102.3	75.9	168.2	-72.1	-0.9	0	0	0	109.3	S432 L436 E437	S432-N434 PolarHBondContact O-N 3.22Å; N434-L436 PolarHBondContact O-N 2.93Å; N434-E437 PolarHBondContact ND2-OE2 3.19Å; N434-E437 PolarHBondContact O-N 2.62Å
435	Q	45.9	Very low	65.7	Low	159 Å²	159	67.7 Å²	67.7	74%	0.743	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-8.2	-179	-76.7	-147.2	-0.4	0	0	115.1
436	L	47.6	Very low	66.1	Low	104 Å²	104	68.9 Å²	68.9	55%	0.545	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-18	-176.1	-120	74	0	0	0	114.7	N434	N434-L436 PolarHBondContact O-N 2.93Å
437	E	48.4	Very low	66.8	Low	158 Å²	158	68.8 Å²	68.8	74%	0.738	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-26.6	-173	-74.4	-177.6	149	0	0	113.4	N434	N434-E437 PolarHBondContact ND2-OE2 3.19Å; N434-E437 PolarHBondContact O-N 2.62Å
438	N	56.8	Low	67.8	Low	91 Å²	91	70 Å²	70	49%	0.487	41%	0.412	S	S	.	.	S	Bend	trans	-103.9	97.9	174.1	-127.6	-16.8	0	0	0	109.1	T429 G440	T429-N438 VanDerWaalsContact CB-ND2 3.33Å; T429-N438 WeakPolarHBondContact CB-ND2 3.38Å; T429-N438 VanDerWaalsContact OG1-CG 3.28Å; T429-N438 PolarHBondContact OG1-ND2 3.14Å; N438-G440 VanDerWaalsContact C-N 3.3Å; N438-G440 PolarHBondContact O-N 2.95Å
439	S	68	Low	69.4	Low	32 Å²	32	69.2 Å²	69.2	22%	0.224	41%	0.411	C	S	.	.			trans	-62.9	90	176.6	-54.8	0	0	0	0	109.2	A469 N473	S439-A469 VanDerWaalsContact OG-CB 3.24Å; S439-A469 WeakPolarHBondContact OG-CB 3.43Å; S439-N473 PolarHBondContact O-ND2 3.13Å
440	G	88.2	Confident	72	Confident	15 Å²	15	68 Å²	68	16%	0.155	40%	0.399	C	S	.	.			trans	-61.4	-170.9	174.3	0	0	0	0	0	112	N438 I470	N438-G440 VanDerWaalsContact C-N 3.3Å; N438-G440 PolarHBondContact O-N 2.95Å; G440-I470 WeakPolarHBondContact O-CA 3.1Å; G440-I470 WeakPolarHBondContact O-CG2 2.94Å
441	V	94.2	Very high	75.1	Confident	7 Å²	7	63 Å²	63	4%	0.042	36%	0.364	C	S	.	.	S	Bend	trans	-96.8	-0.8	178.8	-53.8	0	0	0	0	113.7	M405 I424 S427 N473 A474 W477	M405-V441 HydrophobicContact CE-CB 3.67Å; M405-V441 HydrophobicContact CE-CG2 3.43Å; M405-V441 VanDerWaalsContact CE-CG2 3.43Å; I424-V441 HydrophobicContact CB-CG2 4.46Å; I424-V441 HydrophobicContact CG2-CG2 4.31Å; S427-V441 VanDerWaalsContact CB-CG1 3.5Å; S427-V441 WeakPolarHBondContact OG-CG1 3.41Å; S427-V441 WeakPolarHBondContact OG-CG2 3.41Å; V441-N473 HydrophobicContact CG1-CB 4.45Å; V441-A474 HydrophobicContact CB-CB 3.91Å; V441-A474 WeakPolarHBondContact O-CB 3.33Å; V441-W477 HydrophobicContact CG1-CB 3.84Å; V441-W477 HydrophobicContact CG1-CG 3.98Å
442	G	95.6	Very high	77.9	Confident	6 Å²	6	56.4 Å²	56.4	6%	0.062	32%	0.318	C	S	.	.			trans	161.1	-166.4	-172.9	0	0	0	0	0	110.9	T411	T411-G442 CarbonylContact O-C 3.53Å; T411-G442 VanDerWaalsContact O-CA 3.25Å; T411-G442 WeakPolarHBondContact O-CA 3.41Å
443	F	97.1	Very high	80.9	Confident	27 Å²	27	56.4 Å²	56.4	12%	0.118	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	148.9	-176.7	-59.6	-88.6	0	0	0	111.4	I410 T411 I412 A413 I424 I454 L457 V458 M462 I470	I410-F443 HydrophobicContact CG2-CD2 3.83Å; I410-F443 HydrophobicContact CG2-CE2 3.61Å; T411-F443 PolarHBondContact O-N 2.89Å; I412-F443 WeakPolarHBondContact CA-O 3.49Å; I412-F443 HydrophobicContact CG1-CB 4.44Å; I412-F443 HydrophobicContact CG2-CB 4.38Å; A413-F443 PolarHBondContact N-O 3.45Å; I424-F443 WeakPolarHBondContact CD1-O 3.39Å; F443-I454 HydrophobicContact CB-CD1 3.93Å; F443-I454 HydrophobicContact CB-CG1 4.42Å; F443-I454 HydrophobicContact CB-CG2 3.85Å; F443-I454 HydrophobicContact CD1-CG2 4.24Å; F443-I454 HydrophobicContact CD2-CG2 3.8Å; F443-I454 HydrophobicContact CE2-CG2 4.42Å; F443-I454 HydrophobicContact CG-CG2 3.7Å; F443-L457 HydrophobicContact CE1-CD2 3.91Å; F443-L457 HydrophobicContact CZ-CD2 4.08Å; F443-V458 HydrophobicContact CD2-CG2 4.25Å; F443-V458 HydrophobicContact CE2-CG2 3.74Å; F443-V458 HydrophobicContact CZ-CG2 4.37Å; F443-M462 HydrophobicContact CZ-SD 4.25Å; F443-I470 HydrophobicContact CE2-CD1 3.86Å; F443-I470 HydrophobicContact CZ-CD1 3.75Å
444	L	97.3	Very high	83.5	Confident	10 Å²	10	51.5 Å²	51.5	5%	0.052	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	134.7	173.1	-68.1	173.2	0	0	0	111.3	A413 R415 P419 L420 I424	A413-L444 HydrophobicContact CB-CD2 4.35Å; A413-L444 WeakPolarHBondContact O-CA 3.44Å; R415-L444 HydrophobicContact CB-CB 3.96Å; R415-L444 HydrophobicContact CG-CB 3.95Å; R415-L444 HydrophobicContact CG-CD1 4.19Å; R415-L444 PolarHBondContact NH2-O 2.75Å; P419-L444 HydrophobicContact CB-CD2 4.46Å; L420-L444 HydrophobicContact CB-CD1 4.46Å; L420-L444 HydrophobicContact CD1-CD1 3.61Å; I424-L444 HydrophobicContact CB-CD1 4.45Å; I424-L444 HydrophobicContact CB-CD2 3.91Å; I424-L444 HydrophobicContact CB-CG 4.05Å; I424-L444 HydrophobicContact CD1-CD2 4.1Å; I424-L444 HydrophobicContact CG1-CD2 4.44Å; I424-L444 HydrophobicContact CG2-CD1 4.35Å; I424-L444 HydrophobicContact CG2-CD2 4.21Å; I424-L444 HydrophobicContact CG2-CG 3.83Å
445	A	97.2	Very high	86.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	162.7	177.4	0	0	0	0	0	112.4	I412 A413 H414 R415 E450 Y451 I454	I412-A445 HydrophobicContact CG2-CB 4.3Å; A413-A445 PolarHBondContact O-N 3.45Å; H414-A445 CarbonylContact C-O 3.59Å; H414-A445 WeakPolarHBondContact CA-O 3.31Å; R415-A445 PolarHBondContact N-O 2.97Å; A445-E450 VanDerWaalsContact CA-OE2 3.29Å; A445-E450 WeakPolarHBondContact CA-OE2 3.25Å; A445-E450 HydrophobicContact CB-CB 3.85Å; A445-Y451 HydrophobicContact CB-CD1 3.83Å; A445-Y451 HydrophobicContact CB-CD2 3.65Å; A445-Y451 HydrophobicContact CB-CE1 3.82Å; A445-Y451 HydrophobicContact CB-CE2 3.61Å; A445-Y451 HydrophobicContact CB-CG 3.74Å; A445-I454 HydrophobicContact CB-CD1 3.82Å
446	S	95.5	Very high	88.6	Confident	39 Å²	39	41.4 Å²	41.4	27%	0.273	23%	0.226	S	C	.	.			trans	-139.1	-20	176.6	-60.6	0	0	0	0	113.9	R415 E450	R415-S446 VanDerWaalsContact CB-OG 3.31Å; R415-S446 WeakPolarHBondContact CB-OG 3.49Å; S446-E450 PolarHBondContact N-OE2 2.94Å
447	T	97.8	Very high	90.8	Very high	63 Å²	63	38.5 Å²	38.5	39%	0.387	21%	0.211	S	C	.	.	S	Bend	trans	-121.2	158.9	-175.6	70.5	0	0	0	0	111.6	D449 E450 Y451	T447-D449 PolarHBondContact O-N 3.43Å; T447-E450 PolarHBondContact O-N 3.32Å; T447-E450 VanDerWaalsContact O-N 3.15Å; T447-E450 WeakPolarHBondContact OG1-CG 3.49Å; T447-E450 PolarHBondContact OG1-N 3.25Å; T447-Y451 VanDerWaalsContact O-CD2 3.27Å; T447-Y451 WeakPolarHBondContact O-CD2 3.41Å; T447-Y451 PolarHBondContact O-N 3.07Å
448	V	98.5	Very high	93	Very high	44 Å²	44	31.2 Å²	31.2	27%	0.267	18%	0.177	S	C	.	.	H	α-helix	trans	-51	-43.2	173.7	170.3	0	0	0	0	111.3	L311 N314 H318 A452	L311-V448 HydrophobicContact CD1-CB 4.47Å; L311-V448 HydrophobicContact CD1-CG2 3.51Å; N314-V448 HydrophobicContact CB-CG2 3.99Å; H318-V448 HydrophobicContact CB-CG1 3.74Å; V448-A452 VanDerWaalsContact O-CB 3.28Å; V448-A452 WeakPolarHBondContact O-CB 3.34Å; V448-A452 PolarHBondContact O-N 2.87Å
449	D	98.1	Very high	94.8	Very high	80 Å²	80	27.5 Å²	27.5	43%	0.428	16%	0.157	S	C	.	.	H	α-helix	trans	-62.4	-48.8	177	-74.5	-71.5	0	0	0	112.7	H318 R322 T447 A452 N453	H318-D449 IonicContact CE1-OD1 3.63Å; H318-D449 PolarHBondContact CE1-OD1 3.34Å; H318-D449 IonicContact NE2-OD1 3.93Å; R322-D449 IonicContact NH2-OD1 3.35Å; R322-D449 PolarHBondContact NH2-OD1 2.98Å; T447-D449 PolarHBondContact O-N 3.43Å; D449-A452 PolarHBondContact O-N 2.75Å; D449-N453 WeakPolarHBondContact O-CB 3.43Å; D449-N453 PolarHBondContact O-N 2.76Å; D449-N453 PolarHBondContact O-ND2 2.57Å; D449-N453 PolarHBondContact O-OD1 2.89Å
450	E	98.1	Very high	96	Very high	56 Å²	56	29.6 Å²	29.6	26%	0.262	17%	0.165	S	C	.	.	H	α-helix	trans	-62.3	-46.9	-179	-72.6	179.3	174.6	0	0	111.5	R415 A445 S446 T447 A452 N453 I454	R415-E450 IonicContact CZ-OE1 2.93Å; R415-E450 IonicContact CZ-OE2 3.84Å; R415-E450 IonicContact NH1-OE1 2.97Å; R415-E450 PolarHBondContact NH1-OE1 2.87Å; R415-E450 IonicContact NH1-OE2 3.68Å; R415-E450 PolarHBondContact NH1-OE2 3.25Å; R415-E450 VanDerWaalsContact NH2-CD 3.33Å; R415-E450 IonicContact NH2-OE1 2.97Å; R415-E450 PolarHBondContact NH2-OE1 3.48Å; R415-E450 IonicContact NH2-OE2 2.78Å; R415-E450 PolarHBondContact NH2-OE2 3.01Å; A445-E450 VanDerWaalsContact CA-OE2 3.29Å; A445-E450 WeakPolarHBondContact CA-OE2 3.25Å; A445-E450 HydrophobicContact CB-CB 3.85Å; S446-E450 PolarHBondContact N-OE2 2.94Å; T447-E450 PolarHBondContact O-N 3.32Å; T447-E450 VanDerWaalsContact O-N 3.15Å; T447-E450 WeakPolarHBondContact OG1-CG 3.49Å; T447-E450 PolarHBondContact OG1-N 3.25Å; E450-A452 PolarHBondContact O-N 3.06Å; E450-N453 PolarHBondContact O-N 2.92Å; E450-I454 WeakPolarHBondContact O-CD1 3.46Å; E450-I454 VanDerWaalsContact O-CG1 3.24Å; E450-I454 WeakPolarHBondContact O-CG1 3.28Å; E450-I454 PolarHBondContact O-N 2.77Å
451	Y	98.5	Very high	96.2	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.1	-46.9	176.2	-81.6	-77	0	0	0	111.6	L311 A315 L389 H390 T391 I412 H414 A445 T447 N453 I454 F455	L311-Y451 HydrophobicContact CD2-CD2 4.3Å; L311-Y451 HydrophobicContact CD2-CE2 3.85Å; L311-Y451 HydrophobicContact CG-CD2 4.42Å; L311-Y451 HydrophobicContact CG-CE2 4.39Å; A315-Y451 HydrophobicContact CB-CG 4.38Å; L389-Y451 HydrophobicContact CD1-CD1 3.51Å; L389-Y451 HydrophobicContact CD1-CE1 3.44Å; L389-Y451 VanDerWaalsContact CD1-CE1 3.44Å; H390-Y451 PolarHBondContact O-OH 3.32Å; T391-Y451 HydrophobicContact CG2-CE1 3.94Å; T391-Y451 HydrophobicContact CG2-CE2 3.99Å; I412-Y451 HydrophobicContact CB-CE1 4.46Å; I412-Y451 HydrophobicContact CG2-CD1 3.61Å; I412-Y451 HydrophobicContact CG2-CE1 3.62Å; H414-Y451 VanDerWaalsContact CA-OH 3.28Å; H414-Y451 WeakPolarHBondContact CA-OH 3.04Å; H414-Y451 PolarHBondContact N-OH 2.8Å; A445-Y451 HydrophobicContact CB-CD1 3.83Å; A445-Y451 HydrophobicContact CB-CD2 3.65Å; A445-Y451 HydrophobicContact CB-CE1 3.82Å; A445-Y451 HydrophobicContact CB-CE2 3.61Å; A445-Y451 HydrophobicContact CB-CG 3.74Å; T447-Y451 VanDerWaalsContact O-CD2 3.27Å; T447-Y451 WeakPolarHBondContact O-CD2 3.41Å; T447-Y451 PolarHBondContact O-N 3.07Å; Y451-N453 PolarHBondContact O-N 2.82Å; Y451-I454 PolarHBondContact O-N 2.92Å; Y451-F455 HydrophobicContact CD1-CE1 4.41Å; Y451-F455 HydrophobicContact CD1-CZ 4.28Å; Y451-F455 WeakPolarHBondContact O-CD1 3.49Å; Y451-F455 WeakPolarHBondContact O-CD2 3.11Å; Y451-F455 WeakPolarHBondContact O-CG 3.44Å; Y451-F455 PolarHBondContact O-N 3.37Å
452	A	97.6	Very high	96.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.9	-40.3	179.3	0	0	0	0	0	112.6	H318 F319 V448 D449 E450 I454 F455 E456	H318-A452 HydrophobicContact CB-CB 4.39Å; H318-A452 WeakPolarHBondContact ND1-CB 3.31Å; F319-A452 HydrophobicContact CB-CB 4.1Å; V448-A452 VanDerWaalsContact O-CB 3.28Å; V448-A452 WeakPolarHBondContact O-CB 3.34Å; V448-A452 PolarHBondContact O-N 2.87Å; D449-A452 PolarHBondContact O-N 2.75Å; E450-A452 PolarHBondContact O-N 3.06Å; A452-I454 VanDerWaalsContact C-N 3.32Å; A452-I454 PolarHBondContact O-N 3.39Å; A452-F455 PolarHBondContact O-N 2.85Å; A452-E456 PolarHBondContact O-N 3.3Å
453	N	97	Very high	96	Very high	77 Å²	77	37.9 Å²	37.9	41%	0.412	20%	0.201	S	C	.	.	H	α-helix	trans	-62.6	-39.6	176	-69.4	-15.1	0	0	0	111.6	R322 D449 E450 Y451 E456 L457	R322-N453 PolarHBondContact NH1-OD1 2.81Å; D449-N453 WeakPolarHBondContact O-CB 3.43Å; D449-N453 PolarHBondContact O-N 2.76Å; D449-N453 PolarHBondContact O-ND2 2.57Å; D449-N453 PolarHBondContact O-OD1 2.89Å; E450-N453 PolarHBondContact O-N 2.92Å; Y451-N453 PolarHBondContact O-N 2.82Å; N453-E456 PolarHBondContact O-N 2.79Å; N453-L457 WeakPolarHBondContact O-CB 3.3Å; N453-L457 PolarHBondContact O-N 3.35Å
454	I	97.3	Very high	95.7	Very high	21 Å²	21	42.3 Å²	42.3	11%	0.108	22%	0.222	C	C	.	.	H	α-helix	trans	-72.6	-36.7	178	-60.6	157.8	0	0	0	110.6	I412 F443 A445 E450 Y451 A452 E456 L457 V458	I412-I454 HydrophobicContact CD1-CB 4.09Å; I412-I454 HydrophobicContact CD1-CG2 3.39Å; I412-I454 HydrophobicContact CG1-CG2 3.71Å; I412-I454 HydrophobicContact CG2-CD1 3.98Å; I412-I454 HydrophobicContact CG2-CG2 4.25Å; F443-I454 HydrophobicContact CB-CD1 3.93Å; F443-I454 HydrophobicContact CB-CG1 4.42Å; F443-I454 HydrophobicContact CB-CG2 3.85Å; F443-I454 HydrophobicContact CD1-CG2 4.24Å; F443-I454 HydrophobicContact CD2-CG2 3.8Å; F443-I454 HydrophobicContact CE2-CG2 4.42Å; F443-I454 HydrophobicContact CG-CG2 3.7Å; A445-I454 HydrophobicContact CB-CD1 3.82Å; E450-I454 WeakPolarHBondContact O-CD1 3.46Å; E450-I454 VanDerWaalsContact O-CG1 3.24Å; E450-I454 WeakPolarHBondContact O-CG1 3.28Å; E450-I454 PolarHBondContact O-N 2.77Å; Y451-I454 PolarHBondContact O-N 2.92Å; A452-I454 VanDerWaalsContact C-N 3.32Å; A452-I454 PolarHBondContact O-N 3.39Å; I454-E456 VanDerWaalsContact C-N 3.32Å; I454-E456 PolarHBondContact O-N 3.04Å; I454-L457 PolarHBondContact O-N 3.34Å; I454-V458 HydrophobicContact CG2-CG2 3.98Å; I454-V458 WeakPolarHBondContact O-CB 3.22Å; I454-V458 WeakPolarHBondContact O-CG2 3.27Å; I454-V458 PolarHBondContact O-N 2.82Å
455	F	96.7	Very high	95.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-57.4	-46.9	172	-59.8	-23.1	0	0	0	111.1	I297 A315 F319 L389 I412 Y451 A452 V458 L459	I297-F455 HydrophobicContact CD1-CB 4.47Å; I297-F455 HydrophobicContact CD1-CD1 3.81Å; I297-F455 HydrophobicContact CD1-CD2 4.01Å; I297-F455 HydrophobicContact CD1-CE1 3.98Å; I297-F455 HydrophobicContact CD1-CE2 4.17Å; I297-F455 HydrophobicContact CD1-CG 3.84Å; I297-F455 HydrophobicContact CD1-CZ 4.16Å; A315-F455 HydrophobicContact CB-CE2 3.82Å; A315-F455 HydrophobicContact CB-CZ 4.33Å; F319-F455 HydrophobicContact CB-CB 4.34Å; F319-F455 HydrophobicContact CB-CD2 3.9Å; F319-F455 HydrophobicContact CD1-CB 4.39Å; F319-F455 HydrophobicContact CD2-CB 3.81Å; F319-F455 HydrophobicContact CE2-CB 4.22Å; F319-F455 HydrophobicContact CG-CB 3.92Å; F319-F455 HydrophobicContact CG-CD2 4.22Å; L389-F455 HydrophobicContact CD1-CE1 3.95Å; L389-F455 HydrophobicContact CD1-CZ 3.87Å; L389-F455 HydrophobicContact CD2-CZ 3.94Å; I412-F455 HydrophobicContact CD1-CD1 3.57Å; I412-F455 HydrophobicContact CD1-CE1 3.65Å; Y451-F455 HydrophobicContact CD1-CE1 4.41Å; Y451-F455 HydrophobicContact CD1-CZ 4.28Å; Y451-F455 WeakPolarHBondContact O-CD1 3.49Å; Y451-F455 WeakPolarHBondContact O-CD2 3.11Å; Y451-F455 WeakPolarHBondContact O-CG 3.44Å; Y451-F455 PolarHBondContact O-N 3.37Å; A452-F455 PolarHBondContact O-N 2.85Å; F455-V458 PolarHBondContact O-N 2.93Å; F455-L459 HydrophobicContact CB-CD1 4.45Å; F455-L459 WeakPolarHBondContact O-CB 3.41Å; F455-L459 VanDerWaalsContact O-CG 3.31Å; F455-L459 WeakPolarHBondContact O-CG 3.46Å; F455-L459 PolarHBondContact O-N 3.46Å
456	E	94.9	Very high	95.2	Very high	40 Å²	40	48.4 Å²	48.4	19%	0.187	26%	0.26	C	S	.	.	H	α-helix	trans	-62.2	-44.3	175.9	-177.5	-179.1	174.8	0	0	112	F319 H323 A452 N453 I454 L460 K461	F319-E456 HydrophobicContact CD2-CB 4.26Å; F319-E456 HydrophobicContact CE2-CB 4.24Å; H323-E456 IonicContact CE1-OE1 3.99Å; A452-E456 PolarHBondContact O-N 3.3Å; N453-E456 PolarHBondContact O-N 2.79Å; I454-E456 VanDerWaalsContact C-N 3.32Å; I454-E456 PolarHBondContact O-N 3.04Å; E456-L460 HydrophobicContact CG-CD1 4.21Å; E456-L460 VanDerWaalsContact O-CB 3.3Å; E456-L460 WeakPolarHBondContact O-CB 3.31Å; E456-L460 PolarHBondContact O-N 2.88Å; E456-L460 VanDerWaalsContact O-N 3.09Å; E456-K461 HydrophobicContact CG-CD 4.33Å; E456-K461 PolarHBondContact O-N 3.3Å; E456-K461 WeakPolarHBondContact OE1-CE 3.17Å; E456-K461 IonicContact OE1-NZ 3.69Å; E456-K461 PolarHBondContact OE1-NZ 2.89Å; E456-K461 IonicContact OE2-NZ 4Å
457	L	94.7	Very high	95	Very high	43 Å²	43	47.2 Å²	47.2	23%	0.225	25%	0.251	C	S	.	.	I	π-helix	trans	-56.9	-54.8	176.5	177.3	61.9	0	0	0	111.3	F443 N453 I454 K461 M462	F443-L457 HydrophobicContact CE1-CD2 3.91Å; F443-L457 HydrophobicContact CZ-CD2 4.08Å; N453-L457 WeakPolarHBondContact O-CB 3.3Å; N453-L457 PolarHBondContact O-N 3.35Å; I454-L457 PolarHBondContact O-N 3.34Å; L457-K461 HydrophobicContact CD1-CB 4.24Å; L457-K461 PolarHBondContact O-N 3.42Å; L457-K461 VanDerWaalsContact O-N 3.1Å; L457-M462 HydrophobicContact CD1-CG 3.97Å; L457-M462 HydrophobicContact CG-CG 4.02Å; L457-M462 HydrophobicContact CG-SD 4.13Å; L457-M462 WeakPolarHBondContact O-CG 3.36Å; L457-M462 PolarHBondContact O-N 3.29Å
458	V	94.4	Very high	94.7	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.024	25%	0.248	C	C	.	.	I	π-helix	trans	-73.3	-41.7	-171.8	176.9	0	0	0	0	112.3	V387 I410 F443 I454 F455 M462	V387-V458 HydrophobicContact CG2-CB 4.39Å; V387-V458 HydrophobicContact CG2-CG1 3.73Å; I410-V458 HydrophobicContact CB-CG1 3.85Å; I410-V458 HydrophobicContact CG1-CG1 3.95Å; I410-V458 HydrophobicContact CG2-CB 4.46Å; I410-V458 HydrophobicContact CG2-CG1 3.84Å; I410-V458 HydrophobicContact CG2-CG2 3.71Å; F443-V458 HydrophobicContact CD2-CG2 4.25Å; F443-V458 HydrophobicContact CE2-CG2 3.74Å; F443-V458 HydrophobicContact CZ-CG2 4.37Å; I454-V458 HydrophobicContact CG2-CG2 3.98Å; I454-V458 WeakPolarHBondContact O-CB 3.22Å; I454-V458 WeakPolarHBondContact O-CG2 3.27Å; I454-V458 PolarHBondContact O-N 2.82Å; F455-V458 PolarHBondContact O-N 2.93Å; V458-M462 HydrophobicContact CB-SD 4.44Å; V458-M462 HydrophobicContact CG2-SD 3.99Å
459	L	94.2	Very high	94.4	Very high	13 Å²	13	46.5 Å²	46.5	7%	0.068	25%	0.247	C	C	.	.	I	π-helix	trans	-88.3	-19.5	-172	-60.1	175.6	0	0	0	113.7	K295 I297 F319 F334 V387 F455	K295-L459 HydrophobicContact CB-CD2 4.15Å; I297-L459 HydrophobicContact CD1-CD1 4.08Å; I297-L459 HydrophobicContact CG1-CD1 4.1Å; F319-L459 HydrophobicContact CE1-CD1 4.31Å; F319-L459 HydrophobicContact CZ-CD1 4.15Å; F334-L459 HydrophobicContact CD1-CD1 4.03Å; F334-L459 HydrophobicContact CE1-CB 4.11Å; F334-L459 HydrophobicContact CE1-CD1 4.33Å; V387-L459 HydrophobicContact CG2-CD2 3.77Å; V387-L459 HydrophobicContact CG2-CG 4.27Å; F455-L459 HydrophobicContact CB-CD1 4.45Å; F455-L459 WeakPolarHBondContact O-CB 3.41Å; F455-L459 VanDerWaalsContact O-CG 3.31Å; F455-L459 WeakPolarHBondContact O-CG 3.46Å; F455-L459 PolarHBondContact O-N 3.46Å
460	L	92.5	Very high	94.1	Very high	77 Å²	77	43.2 Å²	43.2	40%	0.403	23%	0.229	S	C	.	.	I	π-helix	trans	-126.8	-31.4	-173.1	-61.7	175.2	0	0	0	114.9	F319 H323 F334 E456	F319-L460 HydrophobicContact CE2-CD1 4.08Å; F319-L460 HydrophobicContact CZ-CD1 4.43Å; H323-L460 VanDerWaalsContact CE1-CD1 3.4Å; H323-L460 WeakPolarHBondContact CE1-CD1 3.07Å; H323-L460 WeakPolarHBondContact NE2-CD1 3.19Å; F334-L460 HydrophobicContact CE1-CD2 4.23Å; F334-L460 HydrophobicContact CZ-CD2 3.74Å; F334-L460 HydrophobicContact CZ-CG 4.49Å; E456-L460 HydrophobicContact CG-CD1 4.21Å; E456-L460 VanDerWaalsContact O-CB 3.3Å; E456-L460 WeakPolarHBondContact O-CB 3.31Å; E456-L460 PolarHBondContact O-N 2.88Å; E456-L460 VanDerWaalsContact O-N 3.09Å
461	K	93	Very high	93.8	Very high	127 Å²	127	42 Å²	42	55%	0.552	22%	0.222	S	C	*	.	I	π-helix	trans	-106.7	-33.3	-169	-63.5	177.7	177.7	164.9	0	114.1	E456 L457	E456-K461 HydrophobicContact CG-CD 4.33Å; E456-K461 PolarHBondContact O-N 3.3Å; E456-K461 WeakPolarHBondContact OE1-CE 3.17Å; E456-K461 IonicContact OE1-NZ 3.69Å; E456-K461 PolarHBondContact OE1-NZ 2.89Å; E456-K461 IonicContact OE2-NZ 4Å; L457-K461 HydrophobicContact CD1-CB 4.24Å; L457-K461 PolarHBondContact O-N 3.42Å; L457-K461 VanDerWaalsContact O-N 3.1Å
462	M	93	Very high	93.5	Very high	26 Å²	26	49 Å²	49	13%	0.128	25%	0.253	C	S	.	.	S	Bend	trans	-73.1	140.7	-179.1	-73.5	178.9	71.6	0	0	112	F443 L457 V458 Q466 I467 I470	F443-M462 HydrophobicContact CZ-SD 4.25Å; L457-M462 HydrophobicContact CD1-CG 3.97Å; L457-M462 HydrophobicContact CG-CG 4.02Å; L457-M462 HydrophobicContact CG-SD 4.13Å; L457-M462 WeakPolarHBondContact O-CG 3.36Å; L457-M462 PolarHBondContact O-N 3.29Å; V458-M462 HydrophobicContact CB-SD 4.44Å; V458-M462 HydrophobicContact CG2-SD 3.99Å; M462-Q466 HydrophobicContact CB-CB 4.45Å; M462-Q466 HydrophobicContact CE-CB 3.63Å; M462-I467 HydrophobicContact CB-CD1 4.2Å; M462-I467 HydrophobicContact CB-CG1 3.84Å; M462-I467 HydrophobicContact CE-CG1 3.98Å; M462-I467 HydrophobicContact SD-CG1 4.45Å; M462-I470 HydrophobicContact CE-CD1 3.54Å; M462-I470 HydrophobicContact CE-CG1 4.38Å
463	S	92.8	Very high	93.2	Very high	48 Å²	48	52.3 Å²	52.3	34%	0.336	27%	0.271	S	S	.	.			trans	-75.9	157.4	168.2	66.1	0	0	0	0	111.2	S465 Q466 I467	S463-S465 PolarHBondContact O-N 2.87Å; S463-S465 PolarHBondContact OG-OG 3.44Å; S463-Q466 WeakPolarHBondContact O-CB 3.32Å; S463-Q466 PolarHBondContact O-N 2.97Å; S463-Q466 WeakPolarHBondContact OG-CG 3.38Å; S463-Q466 PolarHBondContact OG-N 3.29Å; S463-Q466 PolarHBondContact OG-OE1 3.43Å; S463-I467 WeakPolarHBondContact O-CG1 3.5Å; S463-I467 PolarHBondContact O-N 2.86Å
464	E	90.8	Very high	93	Very high	120 Å²	120	48.7 Å²	48.7	56%	0.561	25%	0.252	S	S	*	.	H	α-helix	trans	-55.2	-36.1	173	-78.8	-65.2	169.6	0	0	112.3	Q466 I467 D468 R471	E464-Q466 VanDerWaalsContact C-N 3.33Å; E464-Q466 PolarHBondContact O-N 3.29Å; E464-I467 PolarHBondContact O-N 3.16Å; E464-D468 VanDerWaalsContact O-CB 3.29Å; E464-D468 WeakPolarHBondContact O-CB 3.27Å; E464-D468 PolarHBondContact O-N 3.35Å; E464-R471 IonicContact OE2-NH1 2.95Å
465	S	91.7	Very high	92.8	Very high	86 Å²	86	48.6 Å²	48.6	60%	0.601	25%	0.252	S	S	*	.	H	α-helix	trans	-62.6	-37.7	176.5	56.5	0	0	0	0	113.3	S463 A469	S463-S465 PolarHBondContact O-N 2.87Å; S463-S465 PolarHBondContact OG-OG 3.44Å; S465-A469 WeakPolarHBondContact O-CB 3.46Å; S465-A469 PolarHBondContact O-N 3.44Å; S465-A469 VanDerWaalsContact O-N 3.11Å
466	Q	92.1	Very high	92.6	Very high	52 Å²	52	54 Å²	54	24%	0.243	28%	0.276	C	S	.	.	H	α-helix	trans	-71.4	-43.7	176.6	-69.1	171	-43.8	0	0	111	M462 S463 E464 A469 I470	M462-Q466 HydrophobicContact CB-CB 4.45Å; M462-Q466 HydrophobicContact CE-CB 3.63Å; S463-Q466 WeakPolarHBondContact O-CB 3.32Å; S463-Q466 PolarHBondContact O-N 2.97Å; S463-Q466 WeakPolarHBondContact OG-CG 3.38Å; S463-Q466 PolarHBondContact OG-N 3.29Å; S463-Q466 PolarHBondContact OG-OE1 3.43Å; E464-Q466 VanDerWaalsContact C-N 3.33Å; E464-Q466 PolarHBondContact O-N 3.29Å; Q466-A469 PolarHBondContact O-N 3.28Å; Q466-I470 PolarHBondContact O-N 2.97Å; Q466-I470 VanDerWaalsContact O-N 3.16Å
467	I	92	Very high	92.5	Very high	15 Å²	15	54 Å²	54	8%	0.077	27%	0.274	C	S	.	.	H	α-helix	trans	-59.6	-49.3	176.6	-67	173.4	0	0	0	109.8	I410 M462 S463 E464 A469 I470 R471	I410-I467 HydrophobicContact CD1-CG2 3.91Å; I410-I467 HydrophobicContact CG1-CG2 3.92Å; M462-I467 HydrophobicContact CB-CD1 4.2Å; M462-I467 HydrophobicContact CB-CG1 3.84Å; M462-I467 HydrophobicContact CE-CG1 3.98Å; M462-I467 HydrophobicContact SD-CG1 4.45Å; S463-I467 WeakPolarHBondContact O-CG1 3.5Å; S463-I467 PolarHBondContact O-N 2.86Å; E464-I467 PolarHBondContact O-N 3.16Å; I467-A469 VanDerWaalsContact C-N 3.29Å; I467-A469 PolarHBondContact O-N 2.8Å; I467-I470 PolarHBondContact O-N 2.91Å; I467-R471 HydrophobicContact CG2-CG 4.42Å; I467-R471 VanDerWaalsContact CG2-NH2 3.33Å; I467-R471 WeakPolarHBondContact O-CG 3.02Å; I467-R471 PolarHBondContact O-N 3.34Å
468	D	91.1	Very high	92.5	Very high	61 Å²	61	52 Å²	52	33%	0.326	26%	0.263	S	S	.	.	H	α-helix	trans	-64.1	-32.9	179.9	-79.9	-11.8	0	0	0	113	E464 R471 K472	E464-D468 VanDerWaalsContact O-CB 3.29Å; E464-D468 WeakPolarHBondContact O-CB 3.27Å; E464-D468 PolarHBondContact O-N 3.35Å; D468-R471 PolarHBondContact O-N 2.82Å; D468-R471 IonicContact OD1-NH1 2.82Å; D468-R471 PolarHBondContact OD1-NH1 3.41Å; D468-K472 WeakPolarHBondContact O-CB 3.24Å; D468-K472 VanDerWaalsContact O-CG 3.26Å; D468-K472 WeakPolarHBondContact O-CG 3.36Å; D468-K472 PolarHBondContact O-N 3.16Å
469	A	91.5	Very high	92.4	Very high	30 Å²	30	57 Å²	57	25%	0.248	28%	0.281	C	S	.	.	H	α-helix	trans	-64.3	-46.4	174	0	0	0	0	0	111.5	S439 S465 Q466 I467 K472 N473	S439-A469 VanDerWaalsContact OG-CB 3.24Å; S439-A469 WeakPolarHBondContact OG-CB 3.43Å; S465-A469 WeakPolarHBondContact O-CB 3.46Å; S465-A469 PolarHBondContact O-N 3.44Å; S465-A469 VanDerWaalsContact O-N 3.11Å; Q466-A469 PolarHBondContact O-N 3.28Å; I467-A469 VanDerWaalsContact C-N 3.29Å; I467-A469 PolarHBondContact O-N 2.8Å; A469-K472 PolarHBondContact O-N 3.32Å; A469-N473 WeakPolarHBondContact O-CB 3.41Å; A469-N473 PolarHBondContact O-N 3.49Å; A469-N473 VanDerWaalsContact O-N 3.1Å
470	I	92.8	Very high	92.4	Very high	11 Å²	11	61.8 Å²	61.8	6%	0.056	30%	0.304	C	S	.	.	H	α-helix	trans	-61.8	-45.1	175.1	-65.3	-176.7	0	0	0	110.6	I410 G440 F443 M462 Q466 I467 N473 A474	I410-I470 HydrophobicContact CD1-CB 3.72Å; I410-I470 HydrophobicContact CD1-CG2 3.52Å; G440-I470 WeakPolarHBondContact O-CA 3.1Å; G440-I470 WeakPolarHBondContact O-CG2 2.94Å; F443-I470 HydrophobicContact CE2-CD1 3.86Å; F443-I470 HydrophobicContact CZ-CD1 3.75Å; M462-I470 HydrophobicContact CE-CD1 3.54Å; M462-I470 HydrophobicContact CE-CG1 4.38Å; Q466-I470 PolarHBondContact O-N 2.97Å; Q466-I470 VanDerWaalsContact O-N 3.16Å; I467-I470 PolarHBondContact O-N 2.91Å; I470-N473 PolarHBondContact O-N 2.86Å; I470-A474 VanDerWaalsContact O-CB 3.29Å; I470-A474 WeakPolarHBondContact O-CB 3.27Å; I470-A474 PolarHBondContact O-N 3.06Å
471	R	91.7	Very high	92.4	Very high	30 Å²	30	61.5 Å²	61.5	11%	0.113	30%	0.299	C	S	.	.	H	α-helix	trans	-57.4	-52.1	178.2	-72.2	176.4	176.3	143.1	4.6	111.6	R293 G408 I410 E464 I467 D468 N473 A474 T475	R293-R471 VanDerWaalsContact CD-NH2 3.28Å; G408-R471 VanDerWaalsContact O-CD 3.23Å; G408-R471 WeakPolarHBondContact O-CD 2.76Å; G408-R471 VanDerWaalsContact O-CG 3.28Å; G408-R471 WeakPolarHBondContact O-CG 2.93Å; G408-R471 PolarHBondContact O-NE 2.89Å; I410-R471 HydrophobicContact CD1-CG 3.97Å; E464-R471 IonicContact OE2-NH1 2.95Å; I467-R471 HydrophobicContact CG2-CG 4.42Å; I467-R471 VanDerWaalsContact CG2-NH2 3.33Å; I467-R471 WeakPolarHBondContact O-CG 3.02Å; I467-R471 PolarHBondContact O-N 3.34Å; D468-R471 PolarHBondContact O-N 2.82Å; D468-R471 IonicContact OD1-NH1 2.82Å; D468-R471 PolarHBondContact OD1-NH1 3.41Å; R471-N473 VanDerWaalsContact C-N 3.29Å; R471-N473 PolarHBondContact O-N 2.84Å; R471-A474 PolarHBondContact O-N 2.89Å; R471-T475 PolarHBondContact O-N 2.69Å; R471-T475 PolarHBondContact O-OG1 3.03Å
472	K	91	Very high	92.6	Very high	147 Å²	147	55.5 Å²	55.5	64%	0.639	27%	0.273	S	S	*	.	H	α-helix	trans	-58.3	-43.2	-180	-75.2	171.3	-176.6	172.7	0	111.6	D468 A469 K476	D468-K472 WeakPolarHBondContact O-CB 3.24Å; D468-K472 VanDerWaalsContact O-CG 3.26Å; D468-K472 WeakPolarHBondContact O-CG 3.36Å; D468-K472 PolarHBondContact O-N 3.16Å; A469-K472 PolarHBondContact O-N 3.32Å; K472-K476 WeakPolarHBondContact O-CB 3.34Å; K472-K476 PolarHBondContact O-N 3.2Å
473	N	92.6	Very high	92.7	Very high	71 Å²	71	54.4 Å²	54.4	38%	0.38	27%	0.268	S	S	.	.	H	α-helix	trans	-66.5	-43.3	177.7	-71.7	-11.9	0	0	0	111.5	S439 V441 A469 I470 R471 W477	S439-N473 PolarHBondContact O-ND2 3.13Å; V441-N473 HydrophobicContact CG1-CB 4.45Å; A469-N473 WeakPolarHBondContact O-CB 3.41Å; A469-N473 PolarHBondContact O-N 3.49Å; A469-N473 VanDerWaalsContact O-N 3.1Å; I470-N473 PolarHBondContact O-N 2.86Å; R471-N473 VanDerWaalsContact C-N 3.29Å; R471-N473 PolarHBondContact O-N 2.84Å; N473-W477 WeakPolarHBondContact O-CB 3.24Å; N473-W477 PolarHBondContact O-N 3.1Å
474	A	93	Very high	92.8	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.008	26%	0.263	C	S	.	.	H	α-helix	trans	-62.1	-48.1	176.8	0	0	0	0	0	112.4	M405 V441 I470 R471 W477 V478	M405-A474 HydrophobicContact CB-CB 4.28Å; M405-A474 HydrophobicContact CE-CB 3.98Å; V441-A474 HydrophobicContact CB-CB 3.91Å; V441-A474 WeakPolarHBondContact O-CB 3.33Å; I470-A474 VanDerWaalsContact O-CB 3.29Å; I470-A474 WeakPolarHBondContact O-CB 3.27Å; I470-A474 PolarHBondContact O-N 3.06Å; R471-A474 PolarHBondContact O-N 2.89Å; A474-W477 WeakPolarHBondContact O-CB 3.32Å; A474-W477 PolarHBondContact O-N 3.39Å; A474-V478 WeakPolarHBondContact O-CG1 3.39Å; A474-V478 WeakPolarHBondContact O-CG2 3.29Å; A474-V478 PolarHBondContact O-N 3.12Å
475	T	91.8	Very high	93	Very high	19 Å²	19	52.2 Å²	52.2	12%	0.117	26%	0.255	C	S	.	.	H	α-helix	trans	-64.9	-42	-179.8	-50.1	0	0	0	0	111.6	E285 M405 R471 V478 R479	E285-T475 HydrophobicContact CB-CG2 4.25Å; E285-T475 VanDerWaalsContact CD-CG2 3.49Å; E285-T475 HydrophobicContact CG-CG2 3.7Å; E285-T475 WeakPolarHBondContact OE1-CG2 3.47Å; M405-T475 PolarHBondContact O-OG1 3.4Å; R471-T475 PolarHBondContact O-N 2.69Å; R471-T475 PolarHBondContact O-OG1 3.03Å; T475-V478 WeakPolarHBondContact O-CG2 3.33Å; T475-R479 WeakPolarHBondContact O-CB 3.43Å; T475-R479 PolarHBondContact O-N 2.9Å; T475-R479 VanDerWaalsContact O-N 3.14Å
476	K	92	Very high	93.3	Very high	114 Å²	114	49.3 Å²	49.3	50%	0.496	23%	0.234	S	C	.	.	H	α-helix	trans	-58.9	-50	172.3	-178.2	-179	174.6	-176.1	0	111.2	K472 V478 R479 E480	K472-K476 WeakPolarHBondContact O-CB 3.34Å; K472-K476 PolarHBondContact O-N 3.2Å; K476-V478 PolarHBondContact O-N 3.21Å; K476-R479 PolarHBondContact O-N 3.21Å; K476-E480 WeakPolarHBondContact CE-OE1 3.12Å; K476-E480 WeakPolarHBondContact CG-OE1 3.1Å; K476-E480 IonicContact NZ-OE1 3.67Å; K476-E480 WeakPolarHBondContact O-CG 3.31Å; K476-E480 PolarHBondContact O-N 2.94Å; K476-E480 VanDerWaalsContact O-N 3.13Å
477	W	93.3	Very high	93.5	Very high	40 Å²	40	46.9 Å²	46.9	15%	0.152	22%	0.223	C	C	.	.	H	α-helix	trans	-57.8	-47.8	-178.6	175	-106.8	0	0	0	113	I423 P426 V441 N473 A474 E480 K481 F482	I423-W477 PolarHBondContact O-NE1 2.6Å; P426-W477 HydrophobicContact CB-CH2 4.15Å; P426-W477 HydrophobicContact CB-CZ2 4.1Å; V441-W477 HydrophobicContact CG1-CB 3.84Å; V441-W477 HydrophobicContact CG1-CG 3.98Å; N473-W477 WeakPolarHBondContact O-CB 3.24Å; N473-W477 PolarHBondContact O-N 3.1Å; A474-W477 WeakPolarHBondContact O-CB 3.32Å; A474-W477 PolarHBondContact O-N 3.39Å; W477-E480 PolarHBondContact O-N 3.27Å; W477-K481 HydrophobicContact CD2-CD 4.08Å; W477-K481 HydrophobicContact CE3-CD 4.18Å; W477-K481 HydrophobicContact CH2-CD 4.02Å; W477-K481 VanDerWaalsContact CH2-CE 3.43Å; W477-K481 HydrophobicContact CZ2-CD 3.78Å; W477-K481 VanDerWaalsContact CZ2-NZ 3.26Å; W477-K481 HydrophobicContact CZ3-CD 4.15Å; W477-K481 VanDerWaalsContact CZ3-CE 3.45Å; W477-K481 PolarHBondContact O-N 2.85Å; W477-F482 AromaticContact CD1-CE2 3.91Å; W477-F482 AromaticContact NE1-CE2 3.66Å
478	V	94.3	Very high	93.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-70.4	-33.4	-178.8	-59.6	0	0	0	0	112.8	V281 V402 M405 A406 A474 T475 K476 K481 F482 S483	V281-V478 HydrophobicContact CG1-CG2 4.01Å; V281-V478 HydrophobicContact CG2-CB 4.34Å; V281-V478 HydrophobicContact CG2-CG2 4.14Å; V402-V478 HydrophobicContact CG1-CB 3.87Å; V402-V478 HydrophobicContact CG1-CG1 3.89Å; M405-V478 HydrophobicContact CB-CG1 3.64Å; M405-V478 HydrophobicContact CE-CG1 3.66Å; M405-V478 HydrophobicContact CG-CG1 4.41Å; M405-V478 HydrophobicContact SD-CG1 3.93Å; A406-V478 HydrophobicContact CB-CG2 3.89Å; A474-V478 WeakPolarHBondContact O-CG1 3.39Å; A474-V478 WeakPolarHBondContact O-CG2 3.29Å; A474-V478 PolarHBondContact O-N 3.12Å; T475-V478 WeakPolarHBondContact O-CG2 3.33Å; K476-V478 PolarHBondContact O-N 3.21Å; V478-K481 PolarHBondContact O-N 3.29Å; V478-F482 HydrophobicContact CB-CD2 3.95Å; V478-F482 HydrophobicContact CG1-CD2 3.87Å; V478-F482 HydrophobicContact CG1-CE2 4.31Å; V478-F482 WeakPolarHBondContact O-CA 3.39Å; V478-F482 PolarHBondContact O-N 2.77Å; V478-S483 PolarHBondContact O-N 3.27Å
479	R	93.4	Very high	94.1	Very high	108 Å²	108	52.1 Å²	52.1	41%	0.408	24%	0.241	S	C	.	.	H	α-helix	trans	-62.4	-44.2	174.6	-173.2	-163.5	-68.5	124.2	-35.3	111.6	V281 E285 T475 K476 K481 S483	V281-R479 HydrophobicContact CG1-CB 4.03Å; V281-R479 HydrophobicContact CG1-CG 4.48Å; E285-R479 IonicContact OE1-CZ 2.63Å; E285-R479 IonicContact OE1-NE 3.8Å; E285-R479 IonicContact OE1-NH1 2.95Å; E285-R479 PolarHBondContact OE1-NH1 2.83Å; E285-R479 IonicContact OE1-NH2 3.34Å; E285-R479 PolarHBondContact OE1-NH2 3.49Å; E285-R479 IonicContact OE2-CZ 3.54Å; E285-R479 IonicContact OE2-NE 3.32Å; E285-R479 PolarHBondContact OE2-NE 3.4Å; E285-R479 IonicContact OE2-NH1 2.74Å; E285-R479 IonicContact OE2-NH2 3.38Å; E285-R479 PolarHBondContact OE2-NH2 3.42Å; T475-R479 WeakPolarHBondContact O-CB 3.43Å; T475-R479 PolarHBondContact O-N 2.9Å; T475-R479 VanDerWaalsContact O-N 3.14Å; K476-R479 PolarHBondContact O-N 3.21Å; R479-K481 PolarHBondContact O-N 2.87Å; R479-S483 WeakPolarHBondContact O-CB 3.28Å; R479-S483 PolarHBondContact O-OG 3.27Å
480	E	93.5	Very high	94.4	Very high	115 Å²	115	51.6 Å²	51.6	54%	0.537	24%	0.238	S	C	.	.	H	α-helix	trans	-71.8	-17.8	-176	-70.9	174	176.2	0	0	113.5	K476 W477	K476-E480 WeakPolarHBondContact CE-OE1 3.12Å; K476-E480 WeakPolarHBondContact CG-OE1 3.1Å; K476-E480 IonicContact NZ-OE1 3.67Å; K476-E480 WeakPolarHBondContact O-CG 3.31Å; K476-E480 PolarHBondContact O-N 2.94Å; K476-E480 VanDerWaalsContact O-N 3.13Å; W477-E480 PolarHBondContact O-N 3.27Å
481	K	93.7	Very high	94.7	Very high	70 Å²	70	51 Å²	51	30%	0.304	24%	0.235	S	C	.	.	H	α-helix	trans	-124.5	-36.6	-170.5	-67.4	-166.9	169.8	-162.3	0	116.3	Y276 W477 V478 R479	Y276-K481 WeakPolarHBondContact CD2-O 3.44Å; W477-K481 HydrophobicContact CD2-CD 4.08Å; W477-K481 HydrophobicContact CE3-CD 4.18Å; W477-K481 HydrophobicContact CH2-CD 4.02Å; W477-K481 VanDerWaalsContact CH2-CE 3.43Å; W477-K481 HydrophobicContact CZ2-CD 3.78Å; W477-K481 VanDerWaalsContact CZ2-NZ 3.26Å; W477-K481 HydrophobicContact CZ3-CD 4.15Å; W477-K481 VanDerWaalsContact CZ3-CE 3.45Å; W477-K481 PolarHBondContact O-N 2.85Å; V478-K481 PolarHBondContact O-N 3.29Å; R479-K481 PolarHBondContact O-N 2.87Å
482	F	96	Very high	95	Very high	1 Å²	1	50.5 Å²	50.5	0%	0.004	23%	0.234	C	C	.	.	H	α-helix	trans	-123.4	5.2	-165	-47.4	-53.3	0	0	0	113.2	Y276 C279 F397 V402 D422 I423 W477 V478	Y276-F482 HydrophobicContact CD1-CD1 4.18Å; Y276-F482 AromaticContact CD1-CE1 3.89Å; Y276-F482 HydrophobicContact CD1-CE1 3.89Å; Y276-F482 AromaticContact CD2-CD1 3.67Å; Y276-F482 HydrophobicContact CD2-CD1 3.67Å; Y276-F482 AromaticContact CD2-CE1 3.64Å; Y276-F482 HydrophobicContact CD2-CE1 3.64Å; Y276-F482 HydrophobicContact CE1-CE1 4.06Å; Y276-F482 HydrophobicContact CE2-CD1 4.32Å; Y276-F482 AromaticContact CE2-CE1 3.83Å; Y276-F482 HydrophobicContact CE2-CE1 3.83Å; Y276-F482 AromaticContact CG-CD1 3.59Å; Y276-F482 HydrophobicContact CG-CD1 3.59Å; Y276-F482 AromaticContact CG-CE1 3.67Å; Y276-F482 HydrophobicContact CG-CE1 3.67Å; C279-F482 VanDerWaalsContact CB-O 3.25Å; C279-F482 WeakPolarHBondContact CB-O 3.32Å; C279-F482 PolarHBondContact N-O 3.42Å; F397-F482 AromaticContact CE2-CD1 3.93Å; F397-F482 HydrophobicContact CE2-CD1 3.93Å; F397-F482 AromaticContact CE2-CE1 3.85Å; F397-F482 HydrophobicContact CE2-CE1 3.85Å; F397-F482 HydrophobicContact CZ-CB 4.49Å; F397-F482 AromaticContact CZ-CD1 3.62Å; F397-F482 HydrophobicContact CZ-CD1 3.62Å; F397-F482 AromaticContact CZ-CE1 3.98Å; F397-F482 HydrophobicContact CZ-CE1 3.98Å; F397-F482 HydrophobicContact CZ-CG 4.05Å; V402-F482 HydrophobicContact CG1-CB 3.65Å; V402-F482 HydrophobicContact CG1-CD2 3.92Å; V402-F482 HydrophobicContact CG1-CG 4.15Å; V402-F482 HydrophobicContact CG2-CB 4.33Å; V402-F482 HydrophobicContact CG2-CD2 3.89Å; V402-F482 HydrophobicContact CG2-CE2 4.47Å; V402-F482 HydrophobicContact CG2-CG 4.15Å; D422-F482 WeakPolarHBondContact O-CZ 3.23Å; I423-F482 HydrophobicContact CG1-CE2 4.47Å; I423-F482 HydrophobicContact CG1-CZ 4.23Å; I423-F482 HydrophobicContact CG2-CE2 4.35Å; W477-F482 AromaticContact CD1-CE2 3.91Å; W477-F482 AromaticContact NE1-CE2 3.66Å; V478-F482 HydrophobicContact CB-CD2 3.95Å; V478-F482 HydrophobicContact CG1-CD2 3.87Å; V478-F482 HydrophobicContact CG1-CE2 4.31Å; V478-F482 WeakPolarHBondContact O-CA 3.39Å; V478-F482 PolarHBondContact O-N 2.77Å
483	S	95.1	Very high	95.4	Very high	4 Å²	4	48.2 Å²	48.2	3%	0.028	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-63.9	160.4	179.6	86.2	0	0	0	0	112	E282 V478 R479 D485 C486 F487	E282-S483 WeakPolarHBondContact OE1-CB 3.35Å; E282-S483 PolarHBondContact OE1-OG 2.81Å; V478-S483 PolarHBondContact O-N 3.27Å; R479-S483 WeakPolarHBondContact O-CB 3.28Å; R479-S483 PolarHBondContact O-OG 3.27Å; S483-D485 PolarHBondContact O-N 3.35Å; S483-D485 PolarHBondContact OG-N 3.44Å; S483-C486 WeakPolarHBondContact O-CB 3.38Å; S483-C486 PolarHBondContact O-N 3.36Å; S483-C486 PolarHBondContact OG-N 3.06Å; S483-C486 PolarHBondContact OG-SG 3.18Å; S483-C486 VanDerWaalsContact OG-SG 3.34Å; S483-F487 PolarHBondContact O-N 3.06Å
484	E	94.9	Very high	95.6	Very high	48 Å²	48	46.9 Å²	46.9	22%	0.224	22%	0.221	C	C	.	.	H	α-helix	trans	-62.3	-37.2	177	-56.9	-161.6	147.1	0	0	110.6	R61 P278 C279 E282 C486 F487 I488	R61-E484 IonicContact CZ-OE1 3.01Å; R61-E484 IonicContact NE-OE1 3.64Å; R61-E484 IonicContact NH2-OE1 3.27Å; R61-E484 PolarHBondContact NH2-OE1 2.87Å; P278-E484 HydrophobicContact CB-CB 4.37Å; P278-E484 HydrophobicContact CB-CG 4.13Å; C279-E484 WeakPolarHBondContact O-CG 3.39Å; C279-E484 PolarHBondContact O-N 2.89Å; C279-E484 VanDerWaalsContact O-N 3.16Å; E282-E484 PolarHBondContact OE2-N 3.26Å; E484-C486 PolarHBondContact O-N 3.28Å; E484-F487 PolarHBondContact O-N 3.43Å; E484-I488 WeakPolarHBondContact O-CB 3.41Å; E484-I488 WeakPolarHBondContact O-CG1 3.17Å; E484-I488 PolarHBondContact O-N 3.14Å
485	D	95.3	Very high	95.9	Very high	73 Å²	73	46.9 Å²	46.9	39%	0.39	22%	0.22	S	C	.	.	H	α-helix	trans	-58.4	-43.3	173.8	176.2	76	0	0	0	112.9	E282 S483 F487 I488 R489	E282-D485 PolarHBondContact OE1-N 2.92Å; S483-D485 PolarHBondContact O-N 3.35Å; S483-D485 PolarHBondContact OG-N 3.44Å; D485-F487 VanDerWaalsContact C-N 3.34Å; D485-F487 PolarHBondContact O-N 2.82Å; D485-I488 PolarHBondContact O-N 3.06Å; D485-R489 PolarHBondContact O-N 2.89Å; D485-R489 IonicContact OD1-NE 3.32Å; D485-R489 IonicContact OD2-CZ 2.7Å; D485-R489 VanDerWaalsContact OD2-CZ 3.27Å; D485-R489 IonicContact OD2-NE 3.74Å; D485-R489 PolarHBondContact OD2-NE 3.06Å; D485-R489 IonicContact OD2-NH2 3.16Å; D485-R489 PolarHBondContact OD2-NH2 3.07Å
486	C	97.2	Very high	96.1	Very high	25 Å²	25	49.4 Å²	49.4	17%	0.169	23%	0.233	C	C	.	.	H	α-helix	trans	-61.1	-44.3	177.4	-68.2	0	0	0	0	111.5	S483 E484 G490	S483-C486 WeakPolarHBondContact O-CB 3.38Å; S483-C486 PolarHBondContact O-N 3.36Å; S483-C486 PolarHBondContact OG-N 3.06Å; S483-C486 PolarHBondContact OG-SG 3.18Å; S483-C486 VanDerWaalsContact OG-SG 3.34Å; E484-C486 PolarHBondContact O-N 3.28Å; C486-G490 PolarHBondContact O-N 3.14Å; C486-G490 VanDerWaalsContact O-N 3.11Å
487	F	98.1	Very high	96.3	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.009	24%	0.236	C	C	.	.	H	α-helix	trans	-63.7	-45.8	175	173.1	-94.8	0	0	0	111.7	V62 T65 A66 Y184 L275 Y276 P278 S483 E484 D485 G490 W491	V62-F487 HydrophobicContact CG1-CE2 4.1Å; V62-F487 HydrophobicContact CG1-CZ 3.91Å; T65-F487 HydrophobicContact CG2-CD1 3.62Å; T65-F487 HydrophobicContact CG2-CE1 3.76Å; A66-F487 HydrophobicContact CB-CE1 4.29Å; A66-F487 HydrophobicContact CB-CZ 4.21Å; Y184-F487 AromaticContact CE2-CE2 3.92Å; Y184-F487 HydrophobicContact CE2-CE2 3.92Å; L275-F487 HydrophobicContact CD1-CD2 4.1Å; L275-F487 HydrophobicContact CD2-CD2 4.03Å; L275-F487 HydrophobicContact CD2-CE2 3.86Å; L275-F487 HydrophobicContact CG-CD2 3.8Å; L275-F487 HydrophobicContact CG-CE2 4.04Å; Y276-F487 VanDerWaalsContact O-CD2 3.25Å; Y276-F487 WeakPolarHBondContact O-CD2 3.29Å; P278-F487 HydrophobicContact CB-CB 3.78Å; P278-F487 HydrophobicContact CB-CD1 3.77Å; P278-F487 HydrophobicContact CB-CG 3.76Å; P278-F487 HydrophobicContact CG-CD1 3.84Å; P278-F487 HydrophobicContact CG-CD2 4.36Å; P278-F487 HydrophobicContact CG-CE1 4.11Å; P278-F487 HydrophobicContact CG-CG 3.97Å; P278-F487 HydrophobicContact CG-CZ 4.46Å; S483-F487 PolarHBondContact O-N 3.06Å; E484-F487 PolarHBondContact O-N 3.43Å; D485-F487 VanDerWaalsContact C-N 3.34Å; D485-F487 PolarHBondContact O-N 2.82Å; F487-G490 PolarHBondContact O-N 3.43Å; F487-W491 HydrophobicContact CE1-CB 4.34Å; F487-W491 HydrophobicContact CE1-CE3 4.4Å; F487-W491 AromaticContact CE2-CE3 3.96Å; F487-W491 HydrophobicContact CE2-CE3 3.96Å; F487-W491 HydrophobicContact CZ-CB 4.44Å; F487-W491 HydrophobicContact CZ-CD2 4.16Å; F487-W491 AromaticContact CZ-CE3 3.56Å; F487-W491 HydrophobicContact CZ-CE3 3.56Å; F487-W491 HydrophobicContact CZ-CZ3 4.2Å; F487-W491 VanDerWaalsContact O-CB 3.29Å; F487-W491 WeakPolarHBondContact O-CB 3.42Å; F487-W491 PolarHBondContact O-N 2.9Å
488	I	97.5	Very high	96.5	Very high	52 Å²	52	46.6 Å²	46.6	27%	0.267	23%	0.229	S	C	.	.	H	α-helix	trans	-60.1	-50.1	-178.3	-72.7	166.1	0	0	0	110.7	T65 C69 E484 D485 G490 W491 I492	T65-I488 HydrophobicContact CG2-CG1 4.15Å; C69-I488 HydrophobicContact CB-CB 4.36Å; C69-I488 HydrophobicContact CB-CD1 4.47Å; C69-I488 HydrophobicContact CB-CG1 3.89Å; C69-I488 HydrophobicContact CB-CG2 3.82Å; E484-I488 WeakPolarHBondContact O-CB 3.41Å; E484-I488 WeakPolarHBondContact O-CG1 3.17Å; E484-I488 PolarHBondContact O-N 3.14Å; D485-I488 PolarHBondContact O-N 3.06Å; I488-G490 PolarHBondContact O-N 3.49Å; I488-W491 PolarHBondContact O-N 3.26Å; I488-I492 HydrophobicContact CG2-CG1 4.5Å; I488-I492 WeakPolarHBondContact O-CB 3.19Å; I488-I492 VanDerWaalsContact O-CG1 3.32Å; I488-I492 WeakPolarHBondContact O-CG1 3.33Å; I488-I492 PolarHBondContact O-N 3.19Å
489	R	97.7	Very high	96.4	Very high	134 Å²	134	51.4 Å²	51.4	51%	0.506	26%	0.263	S	S	.	.	H	α-helix	trans	-58.8	-49.7	177.5	-74.6	-171.7	-73.9	121.7	0	111.2	D485 W491 I492 D493	D485-R489 PolarHBondContact O-N 2.89Å; D485-R489 IonicContact OD1-NE 3.32Å; D485-R489 IonicContact OD2-CZ 2.7Å; D485-R489 VanDerWaalsContact OD2-CZ 3.27Å; D485-R489 IonicContact OD2-NE 3.74Å; D485-R489 PolarHBondContact OD2-NE 3.06Å; D485-R489 IonicContact OD2-NH2 3.16Å; D485-R489 PolarHBondContact OD2-NH2 3.07Å; R489-W491 PolarHBondContact O-N 3.33Å; R489-I492 PolarHBondContact O-N 3.31Å; R489-D493 WeakPolarHBondContact O-CB 3.33Å; R489-D493 PolarHBondContact O-N 3.24Å
490	G	98.2	Very high	96.3	Very high	18 Å²	18	47.8 Å²	47.8	19%	0.186	25%	0.251	C	S	.	.	H	α-helix	trans	-61.5	-41.6	179.2	0	0	0	0	0	113.2	C486 F487 I488 D493 Q494	C486-G490 PolarHBondContact O-N 3.14Å; C486-G490 VanDerWaalsContact O-N 3.11Å; F487-G490 PolarHBondContact O-N 3.43Å; I488-G490 PolarHBondContact O-N 3.49Å; G490-D493 PolarHBondContact O-N 3.4Å; G490-Q494 WeakPolarHBondContact O-CG 3.43Å; G490-Q494 PolarHBondContact O-N 3.4Å; G490-Q494 VanDerWaalsContact O-N 3.13Å
491	W	98.6	Very high	96.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.7	-49	176.9	-174.9	-86.5	0	0	0	111.5	F48 A66 M70 I161 T163 Y184 M254 L275 F487 I488 R489 D493 Q494 M495	F48-W491 AromaticContact CE1-CH2 3.93Å; F48-W491 HydrophobicContact CE1-CH2 3.93Å; F48-W491 AromaticContact CE1-CZ2 3.69Å; F48-W491 HydrophobicContact CE1-CZ2 3.69Å; F48-W491 HydrophobicContact CZ-CH2 4.45Å; F48-W491 AromaticContact CZ-CZ2 3.74Å; F48-W491 HydrophobicContact CZ-CZ2 3.74Å; A66-W491 HydrophobicContact CB-CD2 3.75Å; A66-W491 VanDerWaalsContact CB-CE2 3.46Å; A66-W491 HydrophobicContact CB-CE3 4.04Å; A66-W491 HydrophobicContact CB-CG 4.39Å; A66-W491 HydrophobicContact CB-CH2 3.85Å; A66-W491 HydrophobicContact CB-CZ2 3.55Å; A66-W491 HydrophobicContact CB-CZ3 4.07Å; M70-W491 HydrophobicContact SD-CZ2 4.29Å; M70-W491 PolarHBondContact SD-NE1 2.97Å; I161-W491 HydrophobicContact CD1-CZ2 4.02Å; I161-W491 HydrophobicContact CG2-CH2 4Å; I161-W491 HydrophobicContact CG2-CZ2 4.34Å; T163-W491 HydrophobicContact CG2-CH2 4.31Å; Y184-W491 HydrophobicContact CD2-CE3 4.34Å; Y184-W491 AromaticContact CD2-CZ3 3.79Å; Y184-W491 HydrophobicContact CD2-CZ3 3.79Å; Y184-W491 HydrophobicContact CG-CZ3 4.22Å; M254-W491 HydrophobicContact CE-CE3 4.12Å; M254-W491 HydrophobicContact CE-CH2 4.04Å; M254-W491 HydrophobicContact CE-CZ3 3.76Å; M254-W491 HydrophobicContact SD-CE3 4.03Å; M254-W491 HydrophobicContact SD-CZ3 4.2Å; L275-W491 HydrophobicContact CD2-CB 4.08Å; L275-W491 HydrophobicContact CD2-CE3 3.83Å; F487-W491 HydrophobicContact CE1-CB 4.34Å; F487-W491 HydrophobicContact CE1-CE3 4.4Å; F487-W491 AromaticContact CE2-CE3 3.96Å; F487-W491 HydrophobicContact CE2-CE3 3.96Å; F487-W491 HydrophobicContact CZ-CB 4.44Å; F487-W491 HydrophobicContact CZ-CD2 4.16Å; F487-W491 AromaticContact CZ-CE3 3.56Å; F487-W491 HydrophobicContact CZ-CE3 3.56Å; F487-W491 HydrophobicContact CZ-CZ3 4.2Å; F487-W491 VanDerWaalsContact O-CB 3.29Å; F487-W491 WeakPolarHBondContact O-CB 3.42Å; F487-W491 PolarHBondContact O-N 2.9Å; I488-W491 PolarHBondContact O-N 3.26Å; R489-W491 PolarHBondContact O-N 3.33Å; W491-D493 VanDerWaalsContact C-N 3.33Å; W491-D493 PolarHBondContact O-N 2.88Å; W491-Q494 PolarHBondContact O-N 3.48Å; W491-M495 HydrophobicContact CG-CG 4.45Å; W491-M495 HydrophobicContact CZ2-SD 4.34Å; W491-M495 WeakPolarHBondContact O-CG 3.24Å; W491-M495 PolarHBondContact O-N 3.44Å
492	I	98.3	Very high	96.6	Very high	19 Å²	19	43.1 Å²	43.1	10%	0.097	23%	0.234	C	C	.	.	H	α-helix	trans	-62	-41.3	178.6	-67.6	-55.8	0	0	0	111.2	K73 Y74 I488 R489 Q494 M495 N496	K73-I492 HydrophobicContact CB-CD1 3.8Å; K73-I492 HydrophobicContact CD-CG2 4.47Å; K73-I492 HydrophobicContact CG-CD1 3.95Å; K73-I492 HydrophobicContact CG-CG2 4.21Å; Y74-I492 HydrophobicContact CE2-CD1 3.73Å; Y74-I492 PolarHBondContact OH-O 3.41Å; I488-I492 HydrophobicContact CG2-CG1 4.5Å; I488-I492 WeakPolarHBondContact O-CB 3.19Å; I488-I492 VanDerWaalsContact O-CG1 3.32Å; I488-I492 WeakPolarHBondContact O-CG1 3.33Å; I488-I492 PolarHBondContact O-N 3.19Å; R489-I492 PolarHBondContact O-N 3.31Å; I492-Q494 VanDerWaalsContact C-N 3.29Å; I492-Q494 PolarHBondContact O-N 3.29Å; I492-M495 PolarHBondContact O-N 2.86Å; I492-M495 VanDerWaalsContact O-N 3.17Å; I492-N496 PolarHBondContact O-N 2.95Å; I492-N496 PolarHBondContact O-ND2 3.48Å; I492-N496 PolarHBondContact O-OD1 2.98Å
493	D	98	Very high	96.7	Very high	98 Å²	98	45.4 Å²	45.4	52%	0.524	25%	0.246	S	C	.	.	H	α-helix	trans	-58.4	-42.2	176.2	-72.9	-15.5	0	0	0	111.8	R489 G490 W491	R489-D493 WeakPolarHBondContact O-CB 3.33Å; R489-D493 PolarHBondContact O-N 3.24Å; G490-D493 PolarHBondContact O-N 3.4Å; W491-D493 VanDerWaalsContact C-N 3.33Å; W491-D493 PolarHBondContact O-N 2.88Å
494	Q	98	Very high	96.8	Very high	44 Å²	44	47.8 Å²	47.8	21%	0.206	26%	0.259	C	S	.	.	H	α-helix	trans	-69.5	-38.4	176.1	-65.1	-41.6	-70.8	0	0	112.6	V252 M254 G490 W491 I492	V252-Q494 HydrophobicContact CG1-CB 3.87Å; V252-Q494 HydrophobicContact CG1-CG 4.28Å; M254-Q494 HydrophobicContact CG-CG 3.96Å; M254-Q494 HydrophobicContact SD-CB 3.83Å; M254-Q494 HydrophobicContact SD-CG 3.7Å; G490-Q494 WeakPolarHBondContact O-CG 3.43Å; G490-Q494 PolarHBondContact O-N 3.4Å; G490-Q494 VanDerWaalsContact O-N 3.13Å; W491-Q494 PolarHBondContact O-N 3.48Å; I492-Q494 VanDerWaalsContact C-N 3.29Å; I492-Q494 PolarHBondContact O-N 3.29Å
495	M	98.2	Very high	96.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-75.9	-23.6	-178.8	-66.8	-55.8	96.5	0	0	113.6	M70 Y74 I161 A182 V252 M254 W491 I492 V497 F498 L500	M70-M495 HydrophobicContact CE-CB 4.44Å; M70-M495 HydrophobicContact CE-CG 4.02Å; M70-M495 HydrophobicContact CE-SD 4.27Å; M70-M495 HydrophobicContact SD-CG 4.23Å; Y74-M495 HydrophobicContact CE2-CB 4.3Å; I161-M495 HydrophobicContact CD1-SD 3.66Å; A182-M495 HydrophobicContact CB-CE 4.09Å; V252-M495 HydrophobicContact CG1-CE 4.28Å; M254-M495 HydrophobicContact CE-CE 3.76Å; W491-M495 HydrophobicContact CG-CG 4.45Å; W491-M495 HydrophobicContact CZ2-SD 4.34Å; W491-M495 WeakPolarHBondContact O-CG 3.24Å; W491-M495 PolarHBondContact O-N 3.44Å; I492-M495 PolarHBondContact O-N 2.86Å; I492-M495 VanDerWaalsContact O-N 3.17Å; M495-V497 PolarHBondContact O-N 3.27Å; M495-V497 VanDerWaalsContact O-N 3.13Å; M495-F498 HydrophobicContact CE-CD2 4.33Å; M495-F498 HydrophobicContact CE-CE2 3.76Å; M495-F498 WeakPolarHBondContact O-CB 3.47Å; M495-F498 PolarHBondContact O-N 3.16Å; M495-F498 HydrophobicContact SD-CD2 3.93Å; M495-F498 HydrophobicContact SD-CE2 3.83Å; M495-L500 HydrophobicContact CB-CD1 4.2Å
496	N	97.1	Very high	97	Very high	72 Å²	72	46.1 Å²	46.1	39%	0.385	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-59.6	-24.7	177	-75.5	-26.7	0	0	0	113.1	Y74 I492 F498 S499	Y74-N496 PolarHBondContact OH-OD1 3.45Å; I492-N496 PolarHBondContact O-N 2.95Å; I492-N496 PolarHBondContact O-ND2 3.48Å; I492-N496 PolarHBondContact O-OD1 2.98Å; N496-F498 PolarHBondContact O-N 2.82Å; N496-F498 VanDerWaalsContact O-N 3.14Å; N496-S499 PolarHBondContact O-N 3Å; N496-S499 VanDerWaalsContact O-N 3.16Å
497	V	96.2	Very high	97	Very high	92 Å²	92	47.6 Å²	47.6	56%	0.558	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-58.8	-24.5	173.7	-178.7	0	0	0	0	111.9	M495	M495-V497 PolarHBondContact O-N 3.27Å; M495-V497 VanDerWaalsContact O-N 3.13Å
498	F	97	Very high	96.9	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.018	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-90.5	-1.6	-178.3	-55.6	-34.9	0	0	0	114.8	V159 Q180 A182 D251 V252 M495 N496 L500	V159-F498 HydrophobicContact CB-CD2 4.43Å; V159-F498 HydrophobicContact CG1-CD2 3.42Å; V159-F498 VanDerWaalsContact CG1-CD2 3.42Å; V159-F498 HydrophobicContact CG1-CE2 3.61Å; V159-F498 HydrophobicContact CG1-CG 4.15Å; V159-F498 HydrophobicContact CG1-CZ 4.49Å; V159-F498 HydrophobicContact CG2-CB 3.86Å; V159-F498 HydrophobicContact CG2-CD2 4.13Å; V159-F498 HydrophobicContact CG2-CG 4.09Å; Q180-F498 HydrophobicContact CB-CD1 3.59Å; Q180-F498 HydrophobicContact CB-CE1 3.75Å; Q180-F498 HydrophobicContact CB-CG 4.2Å; Q180-F498 HydrophobicContact CB-CZ 4.44Å; Q180-F498 HydrophobicContact CG-CD1 4.05Å; Q180-F498 HydrophobicContact CG-CE1 4.47Å; Q180-F498 PolarHBondContact OE1-O 2.93Å; A182-F498 HydrophobicContact CB-CE2 3.97Å; A182-F498 HydrophobicContact CB-CZ 4.03Å; D251-F498 HydrophobicContact CB-CE1 4.03Å; D251-F498 HydrophobicContact CB-CZ 4.46Å; V252-F498 HydrophobicContact CB-CZ 3.97Å; V252-F498 HydrophobicContact CG2-CE1 3.9Å; V252-F498 HydrophobicContact CG2-CE2 4.37Å; V252-F498 HydrophobicContact CG2-CZ 3.55Å; M495-F498 HydrophobicContact CE-CD2 4.33Å; M495-F498 HydrophobicContact CE-CE2 3.76Å; M495-F498 WeakPolarHBondContact O-CB 3.47Å; M495-F498 PolarHBondContact O-N 3.16Å; M495-F498 HydrophobicContact SD-CD2 3.93Å; M495-F498 HydrophobicContact SD-CE2 3.83Å; N496-F498 PolarHBondContact O-N 2.82Å; N496-F498 VanDerWaalsContact O-N 3.14Å; F498-L500 HydrophobicContact CB-CD2 4.29Å; F498-L500 HydrophobicContact CB-CG 4.1Å; F498-L500 PolarHBondContact O-N 2.88Å
499	S	92.5	Very high	96.8	Very high	101 Å²	101	51.1 Å²	51.1	71%	0.706	28%	0.279	S	S	*	.			trans	52	51	177.9	-54.1	0	0	0	0	113.1	N496	N496-S499 PolarHBondContact O-N 3Å; N496-S499 VanDerWaalsContact O-N 3.16Å
500	L	92.2	Very high	96.8	Very high	31 Å²	31	43.5 Å²	43.5	16%	0.162	26%	0.258	C	S	.	.			trans	-72.4	0	-175.8	-68.7	179	0	0	0	114.8	K44 V46 M70 Y74 I77 V159 M495 F498	K44-L500 HydrophobicContact CB-CD2 4.05Å; K44-L500 HydrophobicContact CG-CD2 4.38Å; V46-L500 HydrophobicContact CG2-CD1 4.16Å; V46-L500 HydrophobicContact CG2-CD2 3.66Å; M70-L500 HydrophobicContact CE-CD1 3.32Å; Y74-L500 HydrophobicContact CD1-CB 3.66Å; Y74-L500 HydrophobicContact CD2-CB 4.21Å; Y74-L500 HydrophobicContact CD2-CD1 4.04Å; Y74-L500 HydrophobicContact CE1-CB 3.88Å; Y74-L500 HydrophobicContact CE2-CB 4.4Å; Y74-L500 HydrophobicContact CE2-CD1 3.88Å; Y74-L500 HydrophobicContact CG-CB 3.85Å; I77-L500 HydrophobicContact CG2-CB 3.94Å; I77-L500 HydrophobicContact CG2-CD2 4.18Å; V159-L500 HydrophobicContact CG2-CD2 3.68Å; M495-L500 HydrophobicContact CB-CD1 4.2Å; F498-L500 HydrophobicContact CB-CD2 4.29Å; F498-L500 HydrophobicContact CB-CG 4.1Å; F498-L500 PolarHBondContact O-N 2.88Å

Retrieved 500 of 500 residues in 210.7 ms (Link to these results)

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