A0A077K846_MOUSE Loading...

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 (Q3TZM9), UniProt , Accession A0A077K846, Species MOUSE (Mus musculus, Mouse), Gene Alg11, Length 492 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.6	Very low	55.9	Low	248 Å²	248	129.9 Å²	129.9	100%	1.222	74%	0.742	S	S	*	*				0	138.7	0	-60.5	-165.6	-107.2	0	0	107.3
2	A	44	Very low	57.9	Low	95 Å²	95	124.3 Å²	124.3	79%	0.785	72%	0.723	S	S	*	*			cis	-157.9	154.6	-19.8	0	0	0	0	0	103.4
3	A	46.5	Very low	59.7	Low	90 Å²	90	120.1 Å²	120.1	74%	0.744	70%	0.7	S	S	*	*			trans	-54.8	136.6	-178.8	0	0	0	0	0	112.8
4	D	52.4	Low	61.4	Low	148 Å²	148	117.3 Å²	117.3	79%	0.791	68%	0.68	S	S	*	*			trans	-137.4	63.6	158.5	-148.5	-0.2	0	0	0	110.2
5	T	50.2	Low	62.9	Low	141 Å²	141	123.1 Å²	123.1	87%	0.865	69%	0.686	S	S	*	*			trans	-102	19.8	177.4	46.8	0	0	0	0	112.5
6	G	53.9	Low	64.1	Low	56 Å²	56	122.8 Å²	122.8	58%	0.577	68%	0.676	S	S	*	*	S	Bend	trans	-103.4	-32.6	-173.2	0	0	0	0	0	116.6
7	S	53.6	Low	65.2	Low	63 Å²	63	123.2 Å²	123.2	44%	0.441	67%	0.67	S	S	.	*	S	Bend	trans	-85.7	-29	-166.1	-176.8	0	0	0	0	114.5	C9	S7-C9 VanDerWaalsContact C-N 3.29Å; S7-C9 PolarHBondContact O-N 2.95Å
8	W	53.7	Low	66.1	Low	236 Å²	236	125.1 Å²	125.1	89%	0.894	67%	0.666	S	S	*	*	H	α-helix	trans	-68.7	-20.6	-172.3	-90.4	47.4	0	0	0	115	A12	W8-A12 WeakPolarHBondContact O-CB 3.31Å
9	C	70.2	Confident	67.1	Low	93 Å²	93	122 Å²	122	63%	0.628	66%	0.656	S	S	*	*	H	α-helix	trans	-79.2	-34.3	-174.7	-158.5	0	0	0	0	113.2	S7 V13	S7-C9 VanDerWaalsContact C-N 3.29Å; S7-C9 PolarHBondContact O-N 2.95Å; C9-V13 WeakPolarHBondContact O-CB 3.08Å; C9-V13 WeakPolarHBondContact O-CG2 3.18Å; C9-V13 PolarHBondContact O-N 3.04Å
10	V	76.3	Confident	68.1	Low	92 Å²	92	120.3 Å²	120.3	56%	0.558	65%	0.646	S	S	*	*	H	α-helix	trans	-78.1	-43.7	-175.8	-179	0	0	0	0	111.4	A12 V13 L14	V10-A12 PolarHBondContact O-N 3.25Å; V10-V13 PolarHBondContact O-N 3.27Å; V10-L14 HydrophobicContact CG1-CD1 3.9Å; V10-L14 HydrophobicContact CG1-CG 4.33Å; V10-L14 WeakPolarHBondContact O-CB 3.36Å; V10-L14 WeakPolarHBondContact O-CG 3.45Å; V10-L14 PolarHBondContact O-N 2.98Å
11	Y	77.2	Confident	68.8	Low	167 Å²	167	120 Å²	120	66%	0.655	64%	0.639	S	S	*	*	H	α-helix	trans	-65.3	-39.4	-179.5	-79.8	-78.8	0	0	0	113.1	L14 R15	Y11-L14 PolarHBondContact O-N 3.48Å; Y11-R15 WeakPolarHBondContact O-CB 2.94Å; Y11-R15 PolarHBondContact O-N 3.48Å
12	A	80.7	Confident	71.1	Confident	62 Å²	62	114.8 Å²	114.8	51%	0.512	61%	0.61	S	S	.	*	H	α-helix	trans	-64.6	-43.1	176.5	0	0	0	0	0	111.6	W8 V10 R15 F16	W8-A12 WeakPolarHBondContact O-CB 3.31Å; V10-A12 PolarHBondContact O-N 3.25Å; A12-R15 PolarHBondContact O-N 2.93Å; A12-F16 WeakPolarHBondContact O-CB 3.02Å; A12-F16 PolarHBondContact O-N 3.09Å
13	V	80.6	Confident	73.1	Confident	70 Å²	70	113.4 Å²	113.4	42%	0.424	59%	0.593	S	S	.	*	H	α-helix	trans	-64.7	-45.6	176.8	171	0	0	0	0	111.1	C9 V10 R15 F16 F17	C9-V13 WeakPolarHBondContact O-CB 3.08Å; C9-V13 WeakPolarHBondContact O-CG2 3.18Å; C9-V13 PolarHBondContact O-N 3.04Å; V10-V13 PolarHBondContact O-N 3.27Å; V13-R15 PolarHBondContact O-N 2.97Å; V13-F16 WeakPolarHBondContact O-CB 3.15Å; V13-F16 PolarHBondContact O-N 3.25Å; V13-F17 HydrophobicContact CG1-CD2 3.66Å; V13-F17 HydrophobicContact CG1-CE2 3.41Å; V13-F17 VanDerWaalsContact CG1-CE2 3.41Å; V13-F17 WeakPolarHBondContact O-CD2 3.41Å; V13-F17 PolarHBondContact O-N 2.99Å
14	L	83	Confident	75.1	Confident	81 Å²	81	110.5 Å²	110.5	42%	0.424	57%	0.572	S	S	.	*	H	α-helix	trans	-60.2	-46.4	175.6	-74.4	171.4	0	0	0	111.5	V10 Y11 F16 F17 Y18	V10-L14 HydrophobicContact CG1-CD1 3.9Å; V10-L14 HydrophobicContact CG1-CG 4.33Å; V10-L14 WeakPolarHBondContact O-CB 3.36Å; V10-L14 WeakPolarHBondContact O-CG 3.45Å; V10-L14 PolarHBondContact O-N 2.98Å; Y11-L14 PolarHBondContact O-N 3.48Å; L14-F16 VanDerWaalsContact C-N 3.3Å; L14-F16 PolarHBondContact O-N 3.44Å; L14-F17 PolarHBondContact O-N 3.37Å; L14-Y18 WeakPolarHBondContact O-CD2 3.4Å; L14-Y18 PolarHBondContact O-N 2.93Å
15	R	83.9	Confident	76.8	Confident	205 Å²	205	107.8 Å²	107.8	77%	0.774	56%	0.557	S	S	*	*	H	α-helix	trans	-61.5	-38.6	177.8	-170.5	176.7	-178.2	179.3	0.7	111.9	Y11 A12 V13 Y18 S19	Y11-R15 WeakPolarHBondContact O-CB 2.94Å; Y11-R15 PolarHBondContact O-N 3.48Å; A12-R15 PolarHBondContact O-N 2.93Å; V13-R15 PolarHBondContact O-N 2.97Å; R15-Y18 PolarHBondContact O-N 3.12Å; R15-S19 WeakPolarHBondContact O-CB 3.49Å; R15-S19 PolarHBondContact O-N 3.4Å; R15-S19 PolarHBondContact O-OG 3.35Å
16	F	82.9	Confident	78.6	Confident	118 Å²	118	107.4 Å²	107.4	52%	0.518	55%	0.547	S	S	.	.	H	α-helix	trans	-62	-48.8	173.4	177.8	-105.8	0	0	0	111.6	A12 V13 L14 Y18 S19 L20	A12-F16 WeakPolarHBondContact O-CB 3.02Å; A12-F16 PolarHBondContact O-N 3.09Å; V13-F16 WeakPolarHBondContact O-CB 3.15Å; V13-F16 PolarHBondContact O-N 3.25Å; L14-F16 VanDerWaalsContact C-N 3.3Å; L14-F16 PolarHBondContact O-N 3.44Å; F16-Y18 PolarHBondContact O-N 3.45Å; F16-S19 PolarHBondContact O-N 3Å; F16-S19 VanDerWaalsContact O-N 3.15Å; F16-S19 PolarHBondContact O-OG 3.18Å; F16-L20 HydrophobicContact CD1-CD1 4.1Å; F16-L20 HydrophobicContact CE1-CD1 3.51Å; F16-L20 HydrophobicContact CE2-CD1 4.04Å; F16-L20 HydrophobicContact CE2-CG 4.44Å; F16-L20 HydrophobicContact CZ-CD1 3.49Å; F16-L20 VanDerWaalsContact CZ-CD1 3.49Å; F16-L20 HydrophobicContact CZ-CG 4.35Å; F16-L20 PolarHBondContact O-N 2.7Å; F16-L20 VanDerWaalsContact O-N 3.08Å
17	F	82.4	Confident	80.3	Confident	130 Å²	130	109.8 Å²	109.8	57%	0.57	55%	0.545	S	S	*	.	H	α-helix	trans	-60.7	-44	175.6	-78.9	-65.3	0	0	0	112.5	V13 L14 S19 L20 F21	V13-F17 HydrophobicContact CG1-CD2 3.66Å; V13-F17 HydrophobicContact CG1-CE2 3.41Å; V13-F17 VanDerWaalsContact CG1-CE2 3.41Å; V13-F17 WeakPolarHBondContact O-CD2 3.41Å; V13-F17 PolarHBondContact O-N 2.99Å; L14-F17 PolarHBondContact O-N 3.37Å; F17-S19 VanDerWaalsContact C-N 3.3Å; F17-S19 PolarHBondContact O-N 2.97Å; F17-L20 PolarHBondContact O-N 2.86Å; F17-F21 WeakPolarHBondContact O-CB 3.44Å; F17-F21 PolarHBondContact O-N 2.7Å
18	Y	81.6	Confident	82.1	Confident	156 Å²	156	110.3 Å²	110.3	61%	0.612	55%	0.548	S	S	*	.	H	α-helix	trans	-61.7	-37.4	174.5	-83.1	-68	0	0	0	112.5	L14 R15 F16 L20 F21	L14-Y18 WeakPolarHBondContact O-CD2 3.4Å; L14-Y18 PolarHBondContact O-N 2.93Å; R15-Y18 PolarHBondContact O-N 3.12Å; F16-Y18 PolarHBondContact O-N 3.45Å; Y18-L20 VanDerWaalsContact C-N 3.28Å; Y18-L20 PolarHBondContact O-N 3.03Å; Y18-F21 PolarHBondContact O-N 3.35Å
19	S	85.8	Confident	83.8	Confident	67 Å²	67	100.8 Å²	100.8	47%	0.469	52%	0.523	S	S	.	.	H	α-helix	trans	-67.4	-28.3	177.6	76.3	0	0	0	0	113.1	R15 F16 F17 P23	R15-S19 WeakPolarHBondContact O-CB 3.49Å; R15-S19 PolarHBondContact O-N 3.4Å; R15-S19 PolarHBondContact O-OG 3.35Å; F16-S19 PolarHBondContact O-N 3Å; F16-S19 VanDerWaalsContact O-N 3.15Å; F16-S19 PolarHBondContact O-OG 3.18Å; F17-S19 VanDerWaalsContact C-N 3.3Å; F17-S19 PolarHBondContact O-N 2.97Å; S19-P23 WeakPolarHBondContact O-CD 3.44Å; S19-P23 VanDerWaalsContact O-CG 3.25Å; S19-P23 WeakPolarHBondContact O-CG 3.43Å
20	L	85.9	Confident	84.8	Confident	88 Å²	88	99.7 Å²	99.7	46%	0.461	51%	0.513	S	S	.	.	H	α-helix	trans	-87.9	-24.4	174.7	-67.5	176.9	0	0	0	112.9	F16 F17 Y18 G24	F16-L20 HydrophobicContact CD1-CD1 4.1Å; F16-L20 HydrophobicContact CE1-CD1 3.51Å; F16-L20 HydrophobicContact CE2-CD1 4.04Å; F16-L20 HydrophobicContact CE2-CG 4.44Å; F16-L20 HydrophobicContact CZ-CD1 3.49Å; F16-L20 VanDerWaalsContact CZ-CD1 3.49Å; F16-L20 HydrophobicContact CZ-CG 4.35Å; F16-L20 PolarHBondContact O-N 2.7Å; F16-L20 VanDerWaalsContact O-N 3.08Å; F17-L20 PolarHBondContact O-N 2.86Å; Y18-L20 VanDerWaalsContact C-N 3.28Å; Y18-L20 PolarHBondContact O-N 3.03Å; L20-G24 WeakPolarHBondContact O-CA 3.44Å; L20-G24 PolarHBondContact O-N 3.36Å
21	F	84.1	Confident	85.5	Confident	115 Å²	115	100.5 Å²	100.5	50%	0.504	51%	0.514	S	S	.	.	H	α-helix	trans	-62.5	-50.6	-174.9	-175.4	-105.6	0	0	0	112.4	F17 Y18 G24 L25	F17-F21 WeakPolarHBondContact O-CB 3.44Å; F17-F21 PolarHBondContact O-N 2.7Å; Y18-F21 PolarHBondContact O-N 3.35Å; F21-G24 PolarHBondContact O-N 3.22Å; F21-L25 HydrophobicContact CD1-CD1 3.76Å; F21-L25 HydrophobicContact CD1-CG 4.44Å; F21-L25 HydrophobicContact CE1-CD1 3.28Å; F21-L25 HydrophobicContact CE1-CG 4.18Å; F21-L25 HydrophobicContact CE2-CD1 4.32Å; F21-L25 HydrophobicContact CE2-CG 4.43Å; F21-L25 HydrophobicContact CG-CD1 4.46Å; F21-L25 HydrophobicContact CZ-CD1 3.6Å; F21-L25 HydrophobicContact CZ-CD2 4.46Å; F21-L25 HydrophobicContact CZ-CG 4.17Å; F21-L25 WeakPolarHBondContact O-CB 3.45Å; F21-L25 WeakPolarHBondContact O-CG 3.37Å; F21-L25 PolarHBondContact O-N 3.1Å
22	F	83.9	Confident	86.1	Confident	138 Å²	138	96.2 Å²	96.2	61%	0.605	51%	0.507	S	S	*	.	H	α-helix	trans	-66.9	-48.8	-179.9	-72.3	-78.2	0	0	0	113.2	G24 L25 M26	F22-G24 VanDerWaalsContact C-N 3.28Å; F22-G24 PolarHBondContact O-N 2.93Å; F22-L25 PolarHBondContact O-N 3.29Å; F22-M26 WeakPolarHBondContact O-CG 3.39Å; F22-M26 PolarHBondContact O-N 3.45Å
23	P	87	Confident	86.5	Confident	66 Å²	66	97.3 Å²	97.3	43%	0.429	51%	0.508	S	S	.	.	H	α-helix	trans	-57.7	-40.6	172.4	-25.9	35.8	0	0	0	112.7	S19 M26 I27	S19-P23 WeakPolarHBondContact O-CD 3.44Å; S19-P23 VanDerWaalsContact O-CG 3.25Å; S19-P23 WeakPolarHBondContact O-CG 3.43Å; P23-M26 PolarHBondContact O-N 3.3Å; P23-I27 VanDerWaalsContact O-CG1 3.29Å; P23-I27 WeakPolarHBondContact O-CG1 3.45Å; P23-I27 PolarHBondContact O-N 3.22Å
24	G	87.3	Confident	87.1	Confident	29 Å²	29	101.6 Å²	101.6	30%	0.299	52%	0.517	S	S	.	.	H	α-helix	trans	-61.4	-46	176	0	0	0	0	0	112.6	L20 F21 F22 M26 I27 C28	L20-G24 WeakPolarHBondContact O-CA 3.44Å; L20-G24 PolarHBondContact O-N 3.36Å; F21-G24 PolarHBondContact O-N 3.22Å; F22-G24 VanDerWaalsContact C-N 3.28Å; F22-G24 PolarHBondContact O-N 2.93Å; G24-M26 VanDerWaalsContact C-N 3.34Å; G24-M26 PolarHBondContact O-N 2.92Å; G24-I27 PolarHBondContact O-N 2.84Å; G24-C28 WeakPolarHBondContact O-CB 3.25Å; G24-C28 PolarHBondContact O-N 3.39Å; G24-C28 PolarHBondContact O-SG 3.14Å
25	L	88.5	Confident	87.4	Confident	91 Å²	91	102.9 Å²	102.9	48%	0.476	52%	0.524	S	S	.	.	H	α-helix	trans	-60.8	-41.5	174.2	-77.7	177.6	0	0	0	112.2	F21 F22 C28 G29	F21-L25 HydrophobicContact CD1-CD1 3.76Å; F21-L25 HydrophobicContact CD1-CG 4.44Å; F21-L25 HydrophobicContact CE1-CD1 3.28Å; F21-L25 HydrophobicContact CE1-CG 4.18Å; F21-L25 HydrophobicContact CE2-CD1 4.32Å; F21-L25 HydrophobicContact CE2-CG 4.43Å; F21-L25 HydrophobicContact CG-CD1 4.46Å; F21-L25 HydrophobicContact CZ-CD1 3.6Å; F21-L25 HydrophobicContact CZ-CD2 4.46Å; F21-L25 HydrophobicContact CZ-CG 4.17Å; F21-L25 WeakPolarHBondContact O-CB 3.45Å; F21-L25 WeakPolarHBondContact O-CG 3.37Å; F21-L25 PolarHBondContact O-N 3.1Å; F22-L25 PolarHBondContact O-N 3.29Å; L25-C28 PolarHBondContact O-N 3.26Å; L25-G29 PolarHBondContact O-N 3.16Å
26	M	88.5	Confident	87.7	Confident	132 Å²	132	97.8 Å²	97.8	65%	0.65	52%	0.516	S	S	*	.	H	α-helix	trans	-64.6	-44.8	177.1	-69.9	-61.6	-69.2	0	0	111.6	F22 P23 G24 G29 V30	F22-M26 WeakPolarHBondContact O-CG 3.39Å; F22-M26 PolarHBondContact O-N 3.45Å; P23-M26 PolarHBondContact O-N 3.3Å; G24-M26 VanDerWaalsContact C-N 3.34Å; G24-M26 PolarHBondContact O-N 2.92Å; M26-G29 PolarHBondContact O-N 3.06Å; M26-V30 WeakPolarHBondContact O-CB 3.46Å; M26-V30 VanDerWaalsContact O-CG2 3.31Å; M26-V30 WeakPolarHBondContact O-CG2 3.44Å; M26-V30 PolarHBondContact O-N 3.46Å
27	I	90	Very high	88.1	Confident	106 Å²	106	96.4 Å²	96.4	54%	0.544	51%	0.513	S	S	.	.	H	α-helix	trans	-61	-46.6	175.7	-68.7	165.4	0	0	0	110.3	P23 G24 G29 V30 L31	P23-I27 VanDerWaalsContact O-CG1 3.29Å; P23-I27 WeakPolarHBondContact O-CG1 3.45Å; P23-I27 PolarHBondContact O-N 3.22Å; G24-I27 PolarHBondContact O-N 2.84Å; I27-G29 VanDerWaalsContact C-N 3.34Å; I27-G29 PolarHBondContact O-N 3.06Å; I27-V30 PolarHBondContact O-N 3.43Å; I27-L31 HydrophobicContact CG2-CD1 3.86Å; I27-L31 HydrophobicContact CG2-CG 4.31Å; I27-L31 WeakPolarHBondContact O-CB 3.43Å; I27-L31 VanDerWaalsContact O-CG 3.28Å; I27-L31 WeakPolarHBondContact O-CG 3.42Å; I27-L31 PolarHBondContact O-N 3.38Å
28	C	89.9	Confident	88.5	Confident	74 Å²	74	91.7 Å²	91.7	50%	0.5	50%	0.501	S	S	.	.	H	α-helix	trans	-58.7	-44.8	175.3	-72.9	0	0	0	0	111.7	G24 L25 L31 C32	G24-C28 WeakPolarHBondContact O-CB 3.25Å; G24-C28 PolarHBondContact O-N 3.39Å; G24-C28 PolarHBondContact O-SG 3.14Å; L25-C28 PolarHBondContact O-N 3.26Å; C28-L31 PolarHBondContact O-N 2.97Å; C28-C32 WeakPolarHBondContact O-CB 3.47Å; C28-C32 PolarHBondContact O-N 3.26Å; C28-C32 PolarHBondContact O-SG 3.04Å
29	G	89.9	Confident	88.9	Confident	36 Å²	36	87.2 Å²	87.2	37%	0.371	49%	0.487	S	S	.	.	H	α-helix	trans	-60.3	-46.1	176.9	0	0	0	0	0	112.5	L25 M26 I27 C32 V33	L25-G29 PolarHBondContact O-N 3.16Å; M26-G29 PolarHBondContact O-N 3.06Å; I27-G29 VanDerWaalsContact C-N 3.34Å; I27-G29 PolarHBondContact O-N 3.06Å; G29-C32 WeakPolarHBondContact O-CB 3.48Å; G29-C32 PolarHBondContact O-N 3.03Å; G29-V33 VanDerWaalsContact O-CG2 3.25Å; G29-V33 WeakPolarHBondContact O-CG2 3.43Å; G29-V33 PolarHBondContact O-N 2.93Å
30	V	91	Very high	89.1	Confident	70 Å²	70	92.3 Å²	92.3	42%	0.424	50%	0.496	S	S	.	.	H	α-helix	trans	-62.6	-45.2	176.5	170.2	0	0	0	0	111.3	M26 I27 C32 V33 Y34	M26-V30 WeakPolarHBondContact O-CB 3.46Å; M26-V30 VanDerWaalsContact O-CG2 3.31Å; M26-V30 WeakPolarHBondContact O-CG2 3.44Å; M26-V30 PolarHBondContact O-N 3.46Å; I27-V30 PolarHBondContact O-N 3.43Å; V30-C32 VanDerWaalsContact C-N 3.34Å; V30-C32 PolarHBondContact O-N 3.15Å; V30-V33 PolarHBondContact O-N 3.24Å; V30-Y34 HydrophobicContact CG1-CD2 3.62Å; V30-Y34 HydrophobicContact CG1-CE2 3.32Å; V30-Y34 WeakPolarHBondContact O-CD2 3.34Å; V30-Y34 PolarHBondContact O-N 2.99Å
31	L	91.3	Very high	89.4	Confident	109 Å²	109	90.9 Å²	90.9	57%	0.571	49%	0.491	S	S	*	.	H	α-helix	trans	-62.5	-39.3	176	-70.7	173.5	0	0	0	112.2	I27 C28 Y34 L35	I27-L31 HydrophobicContact CG2-CD1 3.86Å; I27-L31 HydrophobicContact CG2-CG 4.31Å; I27-L31 WeakPolarHBondContact O-CB 3.43Å; I27-L31 VanDerWaalsContact O-CG 3.28Å; I27-L31 WeakPolarHBondContact O-CG 3.42Å; I27-L31 PolarHBondContact O-N 3.38Å; C28-L31 PolarHBondContact O-N 2.97Å; L31-Y34 PolarHBondContact O-N 3.4Å; L31-L35 WeakPolarHBondContact O-CB 3.36Å; L31-L35 PolarHBondContact O-N 2.96Å
32	C	89.5	Confident	89.8	Confident	77 Å²	77	88.1 Å²	88.1	52%	0.52	48%	0.481	S	S	.	.	H	α-helix	trans	-62.1	-43.1	173.4	-74.3	0	0	0	0	111.7	C28 G29 V30 L35 V36	C28-C32 WeakPolarHBondContact O-CB 3.47Å; C28-C32 PolarHBondContact O-N 3.26Å; C28-C32 PolarHBondContact O-SG 3.04Å; G29-C32 WeakPolarHBondContact O-CB 3.48Å; G29-C32 PolarHBondContact O-N 3.03Å; V30-C32 VanDerWaalsContact C-N 3.34Å; V30-C32 PolarHBondContact O-N 3.15Å; C32-L35 PolarHBondContact O-N 2.97Å; C32-V36 VanDerWaalsContact O-CG2 3.29Å; C32-V36 WeakPolarHBondContact O-CG2 3.35Å; C32-V36 PolarHBondContact O-N 3.23Å
33	V	90.2	Very high	90.2	Very high	86 Å²	86	85.3 Å²	85.3	52%	0.521	47%	0.466	S	S	.	.	H	α-helix	trans	-62.1	-47.3	176.8	172.9	0	0	0	0	110.5	G29 V30 L35 V36 I37	G29-V33 VanDerWaalsContact O-CG2 3.25Å; G29-V33 WeakPolarHBondContact O-CG2 3.43Å; G29-V33 PolarHBondContact O-N 2.93Å; V30-V33 PolarHBondContact O-N 3.24Å; V33-L35 VanDerWaalsContact C-N 3.32Å; V33-L35 PolarHBondContact O-N 3.01Å; V33-V36 PolarHBondContact O-N 3.3Å; V33-I37 HydrophobicContact CG1-CD1 3.81Å; V33-I37 HydrophobicContact CG1-CG1 4.46Å; V33-I37 VanDerWaalsContact O-CG1 3.31Å; V33-I37 WeakPolarHBondContact O-CG1 3.44Å; V33-I37 PolarHBondContact O-N 3.45Å
34	Y	92	Very high	90.3	Very high	159 Å²	159	87.6 Å²	87.6	62%	0.624	47%	0.466	S	S	*	.	H	α-helix	trans	-61.1	-39.7	176.1	-77.9	-61.6	0	0	0	112.7	V30 L31 I37 G38	V30-Y34 HydrophobicContact CG1-CD2 3.62Å; V30-Y34 HydrophobicContact CG1-CE2 3.32Å; V30-Y34 WeakPolarHBondContact O-CD2 3.34Å; V30-Y34 PolarHBondContact O-N 2.99Å; L31-Y34 PolarHBondContact O-N 3.4Å; Y34-I37 PolarHBondContact O-N 2.9Å; Y34-G38 PolarHBondContact O-N 3.08Å
35	L	89.9	Confident	90.5	Very high	108 Å²	108	91.3 Å²	91.3	57%	0.565	48%	0.476	S	S	*	.	H	α-helix	trans	-62.4	-46	175	179.7	65.5	0	0	0	111.2	L31 C32 V33 G38 L39	L31-L35 WeakPolarHBondContact O-CB 3.36Å; L31-L35 PolarHBondContact O-N 2.96Å; C32-L35 PolarHBondContact O-N 2.97Å; V33-L35 VanDerWaalsContact C-N 3.32Å; V33-L35 PolarHBondContact O-N 3.01Å; L35-G38 PolarHBondContact O-N 2.83Å; L35-L39 HydrophobicContact CD1-CD1 4.31Å; L35-L39 HydrophobicContact CD1-CG 4.26Å; L35-L39 HydrophobicContact CG-CD1 4.13Å; L35-L39 HydrophobicContact CG-CG 4.45Å; L35-L39 WeakPolarHBondContact O-CB 3.13Å; L35-L39 VanDerWaalsContact O-CG 3.28Å; L35-L39 WeakPolarHBondContact O-CG 3.31Å; L35-L39 PolarHBondContact O-N 3.33Å
36	V	89.6	Confident	90.6	Very high	99 Å²	99	87.3 Å²	87.3	60%	0.6	46%	0.455	S	S	*	.	H	α-helix	trans	-61.4	-45.4	177.7	170.2	0	0	0	0	111	C32 V33 L39 W40	C32-V36 VanDerWaalsContact O-CG2 3.29Å; C32-V36 WeakPolarHBondContact O-CG2 3.35Å; C32-V36 PolarHBondContact O-N 3.23Å; V33-V36 PolarHBondContact O-N 3.3Å; V36-L39 PolarHBondContact O-N 2.99Å; V36-W40 WeakPolarHBondContact O-CB 3.42Å; V36-W40 PolarHBondContact O-N 3.31Å
37	I	91.5	Very high	90.5	Very high	89 Å²	89	83.2 Å²	83.2	46%	0.456	43%	0.434	S	S	.	.	H	α-helix	trans	-61	-46.8	176	-66.8	168.1	0	0	0	110.3	V33 Y34 L39 W40 V41	V33-I37 HydrophobicContact CG1-CD1 3.81Å; V33-I37 HydrophobicContact CG1-CG1 4.46Å; V33-I37 VanDerWaalsContact O-CG1 3.31Å; V33-I37 WeakPolarHBondContact O-CG1 3.44Å; V33-I37 PolarHBondContact O-N 3.45Å; Y34-I37 PolarHBondContact O-N 2.9Å; I37-L39 PolarHBondContact O-N 3.06Å; I37-W40 WeakPolarHBondContact O-CB 3.43Å; I37-W40 PolarHBondContact O-N 3.11Å; I37-V41 HydrophobicContact CG2-CG2 4.45Å; I37-V41 WeakPolarHBondContact O-CG2 3.27Å; I37-V41 PolarHBondContact O-N 3.27Å
38	G	90.6	Very high	90.4	Very high	30 Å²	30	85.6 Å²	85.6	31%	0.309	44%	0.436	S	S	.	.	H	α-helix	trans	-59.3	-46.7	177.9	0	0	0	0	0	112.5	Y34 L35 W40 V41 I42	Y34-G38 PolarHBondContact O-N 3.08Å; L35-G38 PolarHBondContact O-N 2.83Å; G38-W40 VanDerWaalsContact C-N 3.31Å; G38-W40 PolarHBondContact O-N 2.86Å; G38-V41 PolarHBondContact O-N 3.46Å; G38-I42 VanDerWaalsContact O-CG1 3.26Å; G38-I42 WeakPolarHBondContact O-CG1 3.14Å; G38-I42 PolarHBondContact O-N 2.95Å
39	L	90.3	Very high	90.1	Very high	63 Å²	63	87.5 Å²	87.5	33%	0.33	44%	0.436	S	S	.	.	H	α-helix	trans	-63.7	-36.2	175.9	-69.9	177.1	0	0	0	112.1	L35 V36 I37 I42 R43 V188	L35-L39 HydrophobicContact CD1-CD1 4.31Å; L35-L39 HydrophobicContact CD1-CG 4.26Å; L35-L39 HydrophobicContact CG-CD1 4.13Å; L35-L39 HydrophobicContact CG-CG 4.45Å; L35-L39 WeakPolarHBondContact O-CB 3.13Å; L35-L39 VanDerWaalsContact O-CG 3.28Å; L35-L39 WeakPolarHBondContact O-CG 3.31Å; L35-L39 PolarHBondContact O-N 3.33Å; V36-L39 PolarHBondContact O-N 2.99Å; I37-L39 PolarHBondContact O-N 3.06Å; L39-I42 PolarHBondContact O-N 3.13Å; L39-R43 VanDerWaalsContact O-CB 3.27Å; L39-R43 WeakPolarHBondContact O-CB 3.39Å; L39-R43 PolarHBondContact O-N 3.02Å; L39-V188 HydrophobicContact CD2-CG2 3.95Å
40	W	90.5	Very high	89.8	Confident	173 Å²	173	86.7 Å²	86.7	66%	0.655	42%	0.422	S	S	*	.	H	α-helix	trans	-67.7	-42.4	176.2	-171.6	82.2	0	0	0	112.2	V36 I37 G38 R43 W44	V36-W40 WeakPolarHBondContact O-CB 3.42Å; V36-W40 PolarHBondContact O-N 3.31Å; I37-W40 WeakPolarHBondContact O-CB 3.43Å; I37-W40 PolarHBondContact O-N 3.11Å; G38-W40 VanDerWaalsContact C-N 3.31Å; G38-W40 PolarHBondContact O-N 2.86Å; W40-R43 WeakPolarHBondContact O-CB 3.35Å; W40-R43 PolarHBondContact O-N 3.32Å; W40-W44 WeakPolarHBondContact O-CB 3.2Å; W40-W44 PolarHBondContact O-N 3.32Å
41	V	92.2	Very high	89.1	Confident	59 Å²	59	90.2 Å²	90.2	36%	0.358	43%	0.432	S	S	.	.	H	α-helix	trans	-62.1	-45.3	173.7	170.3	0	0	0	0	110.7	I37 G38 W44 H45	I37-V41 HydrophobicContact CG2-CG2 4.45Å; I37-V41 WeakPolarHBondContact O-CG2 3.27Å; I37-V41 PolarHBondContact O-N 3.27Å; G38-V41 PolarHBondContact O-N 3.46Å; V41-W44 WeakPolarHBondContact O-CB 3.31Å; V41-W44 PolarHBondContact O-N 2.98Å; V41-H45 PolarHBondContact O-CD2 3.24Å; V41-H45 PolarHBondContact O-N 3.04Å
42	I	91.9	Very high	88.2	Confident	56 Å²	56	89.5 Å²	89.5	29%	0.287	44%	0.436	S	S	.	.	H	α-helix	trans	-61.9	-47.4	176.6	-67.6	167.1	0	0	0	110.6	G38 L39 W44 H45 L46 W161 V188	G38-I42 VanDerWaalsContact O-CG1 3.26Å; G38-I42 WeakPolarHBondContact O-CG1 3.14Å; G38-I42 PolarHBondContact O-N 2.95Å; L39-I42 PolarHBondContact O-N 3.13Å; I42-W44 VanDerWaalsContact C-N 3.27Å; I42-W44 PolarHBondContact O-N 3.1Å; I42-H45 PolarHBondContact O-N 3.31Å; I42-H45 VanDerWaalsContact O-N 3.15Å; I42-L46 HydrophobicContact CG2-CD1 3.85Å; I42-L46 HydrophobicContact CG2-CG 4.12Å; I42-L46 WeakPolarHBondContact O-CB 3.39Å; I42-L46 WeakPolarHBondContact O-CG 3.46Å; I42-L46 PolarHBondContact O-N 3.45Å; I42-W161 HydrophobicContact CD1-CH2 3.89Å; I42-W161 HydrophobicContact CD1-CZ2 4.34Å; I42-W161 HydrophobicContact CG2-CH2 3.87Å; I42-W161 HydrophobicContact CG2-CZ2 4.48Å; I42-V188 HydrophobicContact CG2-CG1 4.2Å
43	R	92.1	Very high	87.5	Confident	80 Å²	80	89.7 Å²	89.7	30%	0.302	44%	0.435	S	S	.	.	H	α-helix	trans	-53.6	-46.9	174.7	174.9	-175.8	178.8	83	8.4	110.8	L39 W40 H45 L46 Q47 Y187 V188	L39-R43 VanDerWaalsContact O-CB 3.27Å; L39-R43 WeakPolarHBondContact O-CB 3.39Å; L39-R43 PolarHBondContact O-N 3.02Å; W40-R43 WeakPolarHBondContact O-CB 3.35Å; W40-R43 PolarHBondContact O-N 3.32Å; R43-H45 PolarHBondContact O-N 2.94Å; R43-L46 PolarHBondContact O-N 3.28Å; R43-Q47 HydrophobicContact CG-CG 4.26Å; R43-Q47 WeakPolarHBondContact O-CB 3.46Å; R43-Q47 WeakPolarHBondContact O-CG 3.38Å; R43-Q47 PolarHBondContact O-N 2.9Å; R43-Y187 PolarHBondContact NH1-O 3.39Å; R43-V188 WeakPolarHBondContact CB-O 3.33Å; R43-V188 WeakPolarHBondContact CG-O 3.47Å
44	W	90.1	Very high	86.6	Confident	113 Å²	113	85.8 Å²	85.8	43%	0.428	41%	0.411	S	S	.	.	H	α-helix	trans	-60.3	-44.3	178.8	176.9	81.5	0	0	0	112.4	W40 V41 I42 Q47 R48	W40-W44 WeakPolarHBondContact O-CB 3.2Å; W40-W44 PolarHBondContact O-N 3.32Å; V41-W44 WeakPolarHBondContact O-CB 3.31Å; V41-W44 PolarHBondContact O-N 2.98Å; I42-W44 VanDerWaalsContact C-N 3.27Å; I42-W44 PolarHBondContact O-N 3.1Å; W44-Q47 PolarHBondContact O-N 2.99Å; W44-R48 VanDerWaalsContact CZ2-NE 3.27Å; W44-R48 PolarHBondContact O-N 2.91Å
45	H	90.7	Very high	85.6	Confident	108 Å²	108	81.7 Å²	81.7	50%	0.5	40%	0.403	S	S	.	.	H	α-helix	trans	-63	-43.7	174.2	-77.9	-68.5	0	0	0	112.8	V41 I42 R43 R48 K49	V41-H45 PolarHBondContact O-CD2 3.24Å; V41-H45 PolarHBondContact O-N 3.04Å; I42-H45 PolarHBondContact O-N 3.31Å; I42-H45 VanDerWaalsContact O-N 3.15Å; R43-H45 PolarHBondContact O-N 2.94Å; H45-R48 PolarHBondContact O-N 2.9Å; H45-K49 PolarHBondContact O-N 3.38Å
46	L	90.7	Very high	84.6	Confident	7 Å²	7	78.3 Å²	78.3	4%	0.037	39%	0.388	C	S	.	.	H	α-helix	trans	-62.4	-42.9	178	-73.5	178.9	0	0	0	111.8	I42 R43 K49 K50 L164 M165 V168 V188	I42-L46 HydrophobicContact CG2-CD1 3.85Å; I42-L46 HydrophobicContact CG2-CG 4.12Å; I42-L46 WeakPolarHBondContact O-CB 3.39Å; I42-L46 WeakPolarHBondContact O-CG 3.46Å; I42-L46 PolarHBondContact O-N 3.45Å; R43-L46 PolarHBondContact O-N 3.28Å; L46-K49 PolarHBondContact O-N 3.4Å; L46-K50 WeakPolarHBondContact O-CB 3.46Å; L46-K50 PolarHBondContact O-N 3.44Å; L46-L164 HydrophobicContact CD1-CD2 3.89Å; L46-L164 HydrophobicContact CD1-CG 3.98Å; L46-M165 HydrophobicContact CD2-SD 3.93Å; L46-V168 HydrophobicContact CB-CG2 3.99Å; L46-V168 HydrophobicContact CD2-CG2 3.78Å; L46-V168 HydrophobicContact CG-CG2 4.31Å; L46-V188 HydrophobicContact CD1-CG1 4.2Å
47	Q	87.5	Confident	83.4	Confident	46 Å²	46	83.7 Å²	83.7	22%	0.215	40%	0.403	C	S	.	.	H	α-helix	trans	-66	-37.5	177.2	-71.3	-68.5	-36.1	0	0	112.2	R43 W44 K50 K51 G189	R43-Q47 HydrophobicContact CG-CG 4.26Å; R43-Q47 WeakPolarHBondContact O-CB 3.46Å; R43-Q47 WeakPolarHBondContact O-CG 3.38Å; R43-Q47 PolarHBondContact O-N 2.9Å; W44-Q47 PolarHBondContact O-N 2.99Å; Q47-K50 PolarHBondContact O-N 3.13Å; Q47-K51 PolarHBondContact O-N 2.86Å; Q47-G189 PolarHBondContact NE2-O 2.86Å
48	R	86.2	Confident	82.3	Confident	156 Å²	156	86.2 Å²	86.2	59%	0.589	42%	0.418	S	S	*	.	H	α-helix	trans	-63.9	-45.9	172	-79.8	-175.1	158.7	-163.2	-3.7	112.1	W44 H45 K50 K51	W44-R48 VanDerWaalsContact CZ2-NE 3.27Å; W44-R48 PolarHBondContact O-N 2.91Å; H45-R48 PolarHBondContact O-N 2.9Å; R48-K50 VanDerWaalsContact C-N 3.32Å; R48-K50 PolarHBondContact O-N 3.1Å; R48-K51 PolarHBondContact O-N 3.44Å
49	K	83.7	Confident	81.4	Confident	113 Å²	113	87.4 Å²	87.4	49%	0.491	43%	0.431	S	S	.	.	H	α-helix	trans	-62	-40.6	176.9	-171.6	-179.4	176.7	-172.9	0	111.3	H45 L46 S52 V53 M165	H45-K49 PolarHBondContact O-N 3.38Å; L46-K49 PolarHBondContact O-N 3.4Å; K49-S52 PolarHBondContact O-N 3.46Å; K49-V53 WeakPolarHBondContact O-CG2 3.37Å; K49-M165 PolarHBondContact NZ-O 3.27Å; K49-M165 VanDerWaalsContact NZ-O 3.08Å
50	K	83.9	Confident	80.7	Confident	20 Å²	20	91.8 Å²	91.8	9%	0.087	45%	0.447	C	S	.	.	H	α-helix	trans	-57.3	-52.3	177.7	-179.5	-179.1	172.9	-178.8	0	112.4	L46 Q47 R48 S52 V53 S54 V168 P169 D170	L46-K50 WeakPolarHBondContact O-CB 3.46Å; L46-K50 PolarHBondContact O-N 3.44Å; Q47-K50 PolarHBondContact O-N 3.13Å; R48-K50 VanDerWaalsContact C-N 3.32Å; R48-K50 PolarHBondContact O-N 3.1Å; K50-S52 PolarHBondContact O-N 3.07Å; K50-S52 VanDerWaalsContact O-N 3.16Å; K50-V53 PolarHBondContact O-N 2.83Å; K50-S54 PolarHBondContact O-N 2.81Å; K50-S54 VanDerWaalsContact O-N 3.08Å; K50-S54 PolarHBondContact O-OG 3.05Å; K50-V168 HydrophobicContact CB-CB 4.34Å; K50-V168 HydrophobicContact CD-CB 4.45Å; K50-V168 HydrophobicContact CD-CG1 4.04Å; K50-P169 PolarHBondContact NZ-O 2.88Å; K50-P169 VanDerWaalsContact NZ-O 3.15Å; K50-D170 VanDerWaalsContact CE-CG 3.45Å; K50-D170 WeakPolarHBondContact CE-OD1 3.19Å; K50-D170 IonicContact NZ-OD1 2.63Å; K50-D170 PolarHBondContact NZ-OD1 2.85Å
51	K	76.7	Confident	80.2	Confident	143 Å²	143	90 Å²	90	62%	0.622	45%	0.446	S	S	*	.	H	α-helix	trans	-58.6	-28	-179.9	-72.8	-174.8	176.5	-169.6	0	114.1	Q47 R48 V53 T55	Q47-K51 PolarHBondContact O-N 2.86Å; R48-K51 PolarHBondContact O-N 3.44Å; K51-V53 VanDerWaalsContact C-N 3.33Å; K51-T55 PolarHBondContact O-OG1 2.83Å
52	S	71.7	Confident	80.1	Confident	95 Å²	95	89.6 Å²	89.6	66%	0.664	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-18.3	177.7	-175.5	0	0	0	0	113.7	K49 K50	K49-S52 PolarHBondContact O-N 3.46Å; K50-S52 PolarHBondContact O-N 3.07Å; K50-S52 VanDerWaalsContact O-N 3.16Å
53	V	74.8	Confident	80.1	Confident	80 Å²	80	89.6 Å²	89.6	49%	0.485	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-8.6	-173	-160.8	0	0	0	0	112.3	K49 K50 K51 T55 R167	K49-V53 WeakPolarHBondContact O-CG2 3.37Å; K50-V53 PolarHBondContact O-N 2.83Å; K51-V53 VanDerWaalsContact C-N 3.33Å; V53-T55 VanDerWaalsContact C-N 3.34Å; V53-R167 VanDerWaalsContact CB-NH1 3.32Å
54	S	72	Confident	80.3	Confident	4 Å²	4	85.8 Å²	85.8	3%	0.028	43%	0.428	C	S	.	.	S	Bend	trans	-83.3	-8.2	173.8	54.9	0	0	0	0	113.3	K50 Q62	K50-S54 PolarHBondContact O-N 2.81Å; K50-S54 VanDerWaalsContact O-N 3.08Å; K50-S54 PolarHBondContact O-OG 3.05Å; S54-Q62 PolarHBondContact O-N 2.81Å
55	T	70.7	Confident	80.6	Confident	74 Å²	74	80.4 Å²	80.4	45%	0.454	41%	0.408	S	S	.	.	B	Isolated β-bridge	trans	-81.7	118.8	-179.6	-1.4	0	0	0	0	111.5	K51 V53	K51-T55 PolarHBondContact O-OG1 2.83Å; V53-T55 VanDerWaalsContact C-N 3.34Å
56	S	69.4	Low	81	Confident	36 Å²	36	75.3 Å²	75.3	25%	0.252	38%	0.384	S	S	.	.			trans	-62.6	164.6	171.4	175.8	0	0	0	0	111.7	N58 G59 K60	S56-N58 PolarHBondContact O-N 2.9Å; S56-G59 PolarHBondContact O-N 3.45Å; S56-K60 WeakPolarHBondContact CB-O 3.34Å; S56-K60 PolarHBondContact N-O 3.08Å
57	K	64.1	Low	81.4	Confident	212 Å²	212	75 Å²	75	92%	0.922	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-27.8	170	-72	-174.1	177.3	-178.5	0	113
58	N	68.3	Low	81.9	Confident	142 Å²	142	72.9 Å²	72.9	76%	0.759	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	9.8	179.6	-63.7	-3.6	0	0	0	113.5	S56 K60	S56-N58 PolarHBondContact O-N 2.9Å; N58-K60 PolarHBondContact O-N 3.23Å
59	G	71.3	Confident	82.5	Confident	56 Å²	56	65.4 Å²	65.4	58%	0.577	35%	0.345	S	S	*	.	S	Bend	trans	76.6	0.2	179.8	0	0	0	0	0	115.6	S56	S56-G59 PolarHBondContact O-N 3.45Å
60	K	76.5	Confident	83.2	Confident	155 Å²	155	60 Å²	60	67%	0.674	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-77.3	134.8	174.7	-68.9	-173.6	179.5	-179	0	111.1	S56 N58 Q62	S56-K60 WeakPolarHBondContact CB-O 3.34Å; S56-K60 PolarHBondContact N-O 3.08Å; N58-K60 PolarHBondContact O-N 3.23Å; K60-Q62 PolarHBondContact O-N 3.19Å
61	E	80.1	Confident	83.7	Confident	136 Å²	136	61.6 Å²	61.6	64%	0.636	33%	0.327	S	S	*	.	B	Isolated β-bridge	trans	-71.1	121.7	171	-171.5	165.1	-156.5	0	0	109.5
62	Q	88.6	Confident	84.6	Confident	50 Å²	50	54.8 Å²	54.8	23%	0.234	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-100.6	130.2	177.8	-61.2	-174.9	-86.3	0	0	109.9	S54 K60 V64 E95 V97	S54-Q62 PolarHBondContact O-N 2.81Å; K60-Q62 PolarHBondContact O-N 3.19Å; Q62-V64 PolarHBondContact O-N 3Å; Q62-E95 PolarHBondContact NE2-O 3.41Å; Q62-V97 HydrophobicContact CB-CG2 3.98Å
63	T	93.4	Very high	85.7	Confident	55 Å²	55	52 Å²	52	34%	0.337	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-64.9	125.9	171.1	-54.8	0	0	0	0	109.9	V65 A96 V97 D170 V171 L491	T63-V65 HydrophobicContact CG2-CG2 4.35Å; T63-A96 WeakPolarHBondContact O-CA 2.76Å; T63-A96 WeakPolarHBondContact O-CB 3.46Å; T63-V97 PolarHBondContact O-N 2.97Å; T63-D170 HydrophobicContact CG2-CB 3.9Å; T63-V171 HydrophobicContact CG2-CG2 4.48Å; T63-L491 HydrophobicContact CG2-CD2 4Å
64	V	95.6	Very high	86.3	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	116.9	176.6	-175.1	0	0	0	0	109.7	Q62 V97 V99 P169 D170 V171	Q62-V64 PolarHBondContact O-N 3Å; V64-V97 CarbonylContact C-O 3.59Å; V64-V97 WeakPolarHBondContact CA-O 3.39Å; V64-V97 HydrophobicContact CG2-CB 4.37Å; V64-V99 HydrophobicContact CG1-CG2 3.77Å; V64-P169 HydrophobicContact CG1-CB 4.14Å; V64-D170 PolarHBondContact N-OD2 3.41Å; V64-D170 WeakPolarHBondContact O-CB 3.4Å; V64-D170 PolarHBondContact O-N 3.2Å; V64-V171 PolarHBondContact O-N 3.35Å
65	V	97.7	Very high	86.8	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	122.3	175.7	-174	0	0	0	0	108.6	T63 F67 L89 V97 Y98 V99 V171 I173 L491	T63-V65 HydrophobicContact CG2-CG2 4.35Å; V65-F67 HydrophobicContact CG1-CE2 4.28Å; V65-L89 HydrophobicContact CG1-CD1 4.28Å; V65-V97 PolarHBondContact N-O 2.9Å; V65-Y98 HydrophobicContact CB-CD1 4.04Å; V65-Y98 HydrophobicContact CB-CE1 4.11Å; V65-Y98 HydrophobicContact CG2-CE1 4.3Å; V65-Y98 WeakPolarHBondContact O-CA 3.22Å; V65-V99 PolarHBondContact O-N 2.79Å; V65-V171 WeakPolarHBondContact CA-O 3.38Å; V65-V171 HydrophobicContact CG1-CB 4.22Å; V65-V171 HydrophobicContact CG1-CG1 4.31Å; V65-V171 HydrophobicContact CG2-CB 4.24Å; V65-I173 HydrophobicContact CG1-CD1 3.89Å; V65-L491 HydrophobicContact CG2-CD2 3.64Å
66	A	98.4	Very high	87.4	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	132.1	-178.8	0	0	0	0	0	112.8	V99 Y101 P169 V171 Y172 I173	A66-V99 CarbonylContact C-O 3.26Å; A66-V99 VanDerWaalsContact CA-O 3.23Å; A66-V99 WeakPolarHBondContact CA-O 3.45Å; A66-V99 HydrophobicContact CB-CB 3.85Å; A66-V99 HydrophobicContact CB-CG1 4.3Å; A66-Y101 HydrophobicContact CB-CD2 4.13Å; A66-Y101 HydrophobicContact CB-CE2 3.35Å; A66-P169 HydrophobicContact CB-CB 3.6Å; A66-P169 HydrophobicContact CB-CG 3.84Å; A66-V171 PolarHBondContact N-O 3.35Å; A66-Y172 CarbonylContact O-C 3.49Å; A66-Y172 WeakPolarHBondContact O-CA 3.47Å; A66-I173 PolarHBondContact O-N 2.99Å
67	F	98.7	Very high	88.1	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.009	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	128.7	170.8	-73.6	-99.5	0	0	0	110	V65 L82 A85 L86 L89 V99 V100 Y101 I173 F483	V65-F67 HydrophobicContact CG1-CE2 4.28Å; F67-L82 HydrophobicContact CB-CD1 3.52Å; F67-L82 HydrophobicContact CD1-CD1 3.51Å; F67-L82 HydrophobicContact CD2-CD1 4.16Å; F67-L82 HydrophobicContact CE1-CD1 4.22Å; F67-L82 HydrophobicContact CG-CD1 3.46Å; F67-L82 VanDerWaalsContact CG-CD1 3.46Å; F67-A85 HydrophobicContact CE1-CB 4.01Å; F67-A85 HydrophobicContact CZ-CB 3.89Å; F67-L86 HydrophobicContact CD2-CD2 3.84Å; F67-L86 HydrophobicContact CD2-CG 4.21Å; F67-L86 HydrophobicContact CE2-CD2 3.7Å; F67-L86 HydrophobicContact CE2-CG 4.04Å; F67-L89 HydrophobicContact CE2-CD1 3.72Å; F67-L89 HydrophobicContact CZ-CD1 3.71Å; F67-V99 PolarHBondContact N-O 3.2Å; F67-V100 WeakPolarHBondContact O-CA 3.03Å; F67-Y101 PolarHBondContact O-N 2.76Å; F67-I173 CarbonylContact C-O 3.48Å; F67-I173 WeakPolarHBondContact CA-O 3.46Å; F67-I173 HydrophobicContact CD1-CB 3.94Å; F67-I173 HydrophobicContact CD1-CD1 4.27Å; F67-I173 HydrophobicContact CD1-CG2 3.91Å; F67-I173 HydrophobicContact CD2-CD1 4.39Å; F67-I173 HydrophobicContact CE1-CB 4.07Å; F67-I173 HydrophobicContact CE1-CD1 3.7Å; F67-I173 HydrophobicContact CE1-CG2 3.82Å; F67-I173 HydrophobicContact CE2-CD1 3.82Å; F67-I173 HydrophobicContact CG-CB 4.39Å; F67-I173 HydrophobicContact CZ-CD1 3.45Å; F67-I173 VanDerWaalsContact CZ-CD1 3.45Å; F67-F483 HydrophobicContact CE1-CZ 4.28Å; F67-F483 HydrophobicContact CZ-CZ 4.02Å
68	F	98.7	Very high	89.3	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	107.4	168.6	-166.3	-94.5	0	0	0	109.2	P70 Y101 L133 L159 A163 Y172 I173 S175 Y178 T181	F68-P70 HydrophobicContact CD1-CG 4.01Å; F68-P70 HydrophobicContact CE1-CG 3.52Å; F68-P70 HydrophobicContact CZ-CG 3.95Å; F68-Y101 HydrophobicContact CB-CD2 4.35Å; F68-Y101 HydrophobicContact CD2-CD2 4.04Å; F68-Y101 HydrophobicContact CD2-CG 4.22Å; F68-L133 HydrophobicContact CE2-CD1 3.89Å; F68-L133 HydrophobicContact CZ-CD1 4.36Å; F68-L159 HydrophobicContact CE1-CD2 4.44Å; F68-L159 HydrophobicContact CE2-CG 4.38Å; F68-L159 HydrophobicContact CZ-CB 4.27Å; F68-L159 HydrophobicContact CZ-CD2 3.85Å; F68-L159 HydrophobicContact CZ-CG 3.79Å; F68-A163 HydrophobicContact CD2-CB 4.26Å; F68-A163 HydrophobicContact CE2-CB 3.98Å; F68-Y172 HydrophobicContact CB-CE2 3.55Å; F68-Y172 WeakPolarHBondContact CB-OH 3.46Å; F68-Y172 HydrophobicContact CD2-CE2 4.13Å; F68-Y172 HydrophobicContact CG-CE2 4.13Å; F68-Y172 WeakPolarHBondContact CG-OH 3.41Å; F68-I173 PolarHBondContact N-O 3.35Å; F68-S175 PolarHBondContact O-N 3.17Å; F68-S175 PolarHBondContact O-OG 3.11Å; F68-Y178 AromaticContact CD1-CD2 3.92Å; F68-Y178 HydrophobicContact CD1-CD2 3.92Å; F68-Y178 HydrophobicContact CD1-CG 4.43Å; F68-Y178 AromaticContact CE1-CD2 3.63Å; F68-Y178 HydrophobicContact CE1-CD2 3.63Å; F68-Y178 HydrophobicContact CE1-CE2 4.43Å; F68-Y178 AromaticContact CE1-CG 3.96Å; F68-Y178 HydrophobicContact CE1-CG 3.96Å; F68-T181 HydrophobicContact CD1-CG2 4.49Å; F68-T181 HydrophobicContact CE1-CG2 4.07Å; F68-T181 HydrophobicContact CZ-CG2 4.09Å
69	H	98.2	Very high	90.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.189	C	C	.	.			trans	-148.2	75.5	-174.8	-149.4	111.8	0	0	0	110.3	Y71 C72 E79 L82 V100 Y101 S175	H69-Y71 PolarHBondContact O-N 3.26Å; H69-C72 HydrophobicContact CB-CB 4.23Å; H69-C72 PolarHBondContact O-N 2.94Å; H69-C72 VanDerWaalsContact O-N 3.14Å; H69-E79 IonicContact NE2-OE1 2.77Å; H69-E79 PolarHBondContact NE2-OE1 2.85Å; H69-L82 HydrophobicContact CB-CD2 3.95Å; H69-V100 HydrophobicContact CB-CG1 4.46Å; H69-Y101 CarbonylContact C-O 3.6Å; H69-Y101 PolarHBondContact N-O 3.12Å; H69-Y101 VanDerWaalsContact O-O 3.14Å; H69-S175 PolarHBondContact CE1-O 2.85Å; H69-S175 VanDerWaalsContact CE1-O 3.31Å; H69-S175 PolarHBondContact ND1-O 3.04Å; H69-S175 PolarHBondContact ND1-OG 2.67Å
70	P	97.8	Very high	91.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-16	-173.8	-27.7	36.5	0	0	0	116.1	F68 G103 R136 L159 Y178	F68-P70 HydrophobicContact CD1-CG 4.01Å; F68-P70 HydrophobicContact CE1-CG 3.52Å; F68-P70 HydrophobicContact CZ-CG 3.95Å; P70-G103 PolarHBondContact O-N 3.36Å; P70-R136 HydrophobicContact CB-CG 4.18Å; P70-R136 WeakPolarHBondContact O-CD 3.3Å; P70-R136 PolarHBondContact O-NH1 2.97Å; P70-L159 HydrophobicContact CB-CD2 4.24Å; P70-L159 HydrophobicContact CG-CD2 3.87Å; P70-Y178 HydrophobicContact CG-CD2 4.19Å; P70-Y178 HydrophobicContact CG-CE2 3.83Å
71	Y	95.7	Very high	92.4	Very high	52 Å²	52	22.5 Å²	22.5	20%	0.204	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	30.5	-177.5	-60.4	-85.8	0	0	0	112.9	H69 N73 A74 E79 R136 V139 M176 Y178	H69-Y71 PolarHBondContact O-N 3.26Å; Y71-N73 PolarHBondContact O-N 3.27Å; Y71-A74 VanDerWaalsContact O-CB 3.28Å; Y71-A74 WeakPolarHBondContact O-CB 3.49Å; Y71-A74 PolarHBondContact O-N 3.27Å; Y71-E79 WeakPolarHBondContact O-CG 3.48Å; Y71-R136 HydrophobicContact CE1-CG 4.34Å; Y71-R136 HydrophobicContact CE2-CG 4.45Å; Y71-V139 HydrophobicContact CE2-CG2 4.24Å; Y71-M176 HydrophobicContact CD2-CE 4.27Å; Y71-Y178 WeakPolarHBondContact CE2-OH 3.4Å
72	C	95.5	Very high	93.3	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.007	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-17	-171.4	70.7	0	0	0	0	114.8	H69 E79 L82 W83 V100 T102 D104	H69-C72 HydrophobicContact CB-CB 4.23Å; H69-C72 PolarHBondContact O-N 2.94Å; H69-C72 VanDerWaalsContact O-N 3.14Å; C72-E79 WeakPolarHBondContact O-CG 3.47Å; C72-L82 HydrophobicContact CB-CD2 3.59Å; C72-W83 HydrophobicContact CB-CZ2 4.06Å; C72-V100 HydrophobicContact CB-CG1 4.12Å; C72-T102 WeakPolarHBondContact SG-CB 3.39Å; C72-T102 PolarHBondContact SG-OG1 2.83Å; C72-D104 PolarHBondContact N-OD2 3.15Å
73	N	94.1	Very high	93.7	Very high	35 Å²	35	13.9 Å²	13.9	19%	0.187	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	5.2	174.7	-164.4	28.5	0	0	0	114.9	Y71 G75 D104 I112 R119	Y71-N73 PolarHBondContact O-N 3.27Å; N73-G75 PolarHBondContact O-N 2.88Å; N73-D104 HydrophobicContact CB-CB 4.21Å; N73-D104 VanDerWaalsContact CB-OD2 3.3Å; N73-D104 WeakPolarHBondContact CB-OD2 3.32Å; N73-D104 PolarHBondContact N-OD2 3.22Å; N73-I112 HydrophobicContact CB-CG1 4.25Å; N73-R119 PolarHBondContact O-NH1 3.31Å; N73-R119 PolarHBondContact OD1-NH1 2.94Å
74	A	87.7	Confident	93.9	Very high	37 Å²	37	11.4 Å²	11.4	31%	0.306	8%	0.078	S	C	.	.	S	Bend	trans	-73.6	-22.7	-176.2	0	0	0	0	0	114.2	Y71 E79 R346	Y71-A74 VanDerWaalsContact O-CB 3.28Å; Y71-A74 WeakPolarHBondContact O-CB 3.49Å; Y71-A74 PolarHBondContact O-N 3.27Å; A74-E79 HydrophobicContact CB-CG 4.46Å; A74-R346 PolarHBondContact O-NH2 2.77Å; A74-R346 VanDerWaalsContact O-NH2 3.14Å
75	G	82.1	Confident	94	Very high	18 Å²	18	11.4 Å²	11.4	19%	0.186	8%	0.078	C	C	.	.			trans	71.6	31.9	171.1	0	0	0	0	0	115.2	N73 R346	N73-G75 PolarHBondContact O-N 2.88Å; G75-R346 PolarHBondContact O-NH2 3.05Å
76	G	82.6	Confident	94	Very high	10 Å²	10	11.4 Å²	11.4	10%	0.103	8%	0.078	C	C	.	.	S	Bend	trans	-98.4	-171	168	0	0	0	0	0	113.2	G78 E79 R80 F120	G76-G78 VanDerWaalsContact C-N 3.3Å; G76-G78 PolarHBondContact O-N 3.39Å; G76-E79 WeakPolarHBondContact CA-OE2 3.31Å; G76-E79 PolarHBondContact N-OE2 2.93Å; G76-E79 PolarHBondContact O-N 3.19Å; G76-R80 PolarHBondContact O-N 3.02Å; G76-R80 VanDerWaalsContact O-N 3.14Å; G76-F120 WeakPolarHBondContact O-CZ 3.3Å
77	G	84.5	Confident	94	Very high	31 Å²	31	14.6 Å²	14.6	32%	0.32	9%	0.09	S	C	.	.	H	α-helix	trans	-62.7	-32.9	-178.5	0	0	0	0	0	113.9	R80 V81	G77-R80 WeakPolarHBondContact O-CB 3.19Å; G77-R80 PolarHBondContact O-N 2.91Å; G77-V81 WeakPolarHBondContact O-CG2 3.45Å; G77-V81 PolarHBondContact O-N 2.96Å; G77-V81 VanDerWaalsContact O-N 3.09Å
78	G	90.6	Very high	93.9	Very high	14 Å²	14	14.5 Å²	14.5	14%	0.144	9%	0.09	C	C	.	.	H	α-helix	trans	-64.7	-41.6	176	0	0	0	0	0	112.5	G76 R80 V81 L82	G76-G78 VanDerWaalsContact C-N 3.3Å; G76-G78 PolarHBondContact O-N 3.39Å; G78-R80 PolarHBondContact O-N 2.78Å; G78-V81 WeakPolarHBondContact O-CB 3.28Å; G78-V81 PolarHBondContact O-N 3.24Å; G78-L82 PolarHBondContact O-N 3.05Å; G78-L82 VanDerWaalsContact O-N 3.07Å
79	E	93	Very high	93.9	Very high	8 Å²	8	14.5 Å²	14.5	4%	0.037	9%	0.09	C	C	.	.	H	α-helix	trans	-67.2	-37.9	175.7	-65.1	72.3	-152.6	0	0	111.1	H69 Y71 C72 A74 G76 V81 L82 W83 F120	H69-E79 IonicContact NE2-OE1 2.77Å; H69-E79 PolarHBondContact NE2-OE1 2.85Å; Y71-E79 WeakPolarHBondContact O-CG 3.48Å; C72-E79 WeakPolarHBondContact O-CG 3.47Å; A74-E79 HydrophobicContact CB-CG 4.46Å; G76-E79 WeakPolarHBondContact CA-OE2 3.31Å; G76-E79 PolarHBondContact N-OE2 2.93Å; G76-E79 PolarHBondContact O-N 3.19Å; E79-V81 VanDerWaalsContact C-N 3.29Å; E79-V81 PolarHBondContact O-N 3.47Å; E79-L82 WeakPolarHBondContact O-CB 3.41Å; E79-L82 PolarHBondContact O-N 3.14Å; E79-W83 PolarHBondContact O-N 2.99Å; E79-W83 PolarHBondContact O-NE1 3Å; E79-F120 HydrophobicContact CB-CE2 4.04Å; E79-F120 HydrophobicContact CB-CZ 4.23Å
80	R	92.1	Very high	93.8	Very high	20 Å²	20	14.6 Å²	14.6	8%	0.075	9%	0.09	C	C	.	.	H	α-helix	trans	-56.9	-44.8	173.2	-167.1	-175.8	-171.2	-63.7	-8.9	111.5	G76 G77 G78 L82 W83 C84 F120 I122 P281 D476	G76-R80 PolarHBondContact O-N 3.02Å; G76-R80 VanDerWaalsContact O-N 3.14Å; G77-R80 WeakPolarHBondContact O-CB 3.19Å; G77-R80 PolarHBondContact O-N 2.91Å; G78-R80 PolarHBondContact O-N 2.78Å; R80-L82 PolarHBondContact O-N 3.47Å; R80-W83 PolarHBondContact O-N 2.7Å; R80-C84 PolarHBondContact NH1-SG 3.03Å; R80-C84 PolarHBondContact O-N 3.41Å; R80-F120 HydrophobicContact CB-CD1 3.85Å; R80-F120 HydrophobicContact CB-CD2 4.33Å; R80-F120 HydrophobicContact CB-CE1 3.8Å; R80-F120 HydrophobicContact CB-CE2 4.27Å; R80-F120 HydrophobicContact CB-CG 4.11Å; R80-F120 HydrophobicContact CB-CZ 4Å; R80-F120 HydrophobicContact CG-CB 4.21Å; R80-F120 HydrophobicContact CG-CD1 3.84Å; R80-F120 HydrophobicContact CG-CE1 4.3Å; R80-F120 HydrophobicContact CG-CG 3.95Å; R80-I122 HydrophobicContact CG-CD1 4Å; R80-P281 VanDerWaalsContact NH1-C 3.33Å; R80-P281 PolarHBondContact NH1-O 3.05Å; R80-D476 IonicContact CZ-OD1 3.92Å; R80-D476 VanDerWaalsContact CZ-OD1 3.23Å; R80-D476 IonicContact CZ-OD2 2.78Å; R80-D476 IonicContact NH1-OD1 3.79Å; R80-D476 PolarHBondContact NH1-OD1 2.77Å; R80-D476 IonicContact NH1-OD2 3.39Å; R80-D476 VanDerWaalsContact NH2-CG 3.33Å; R80-D476 IonicContact NH2-OD1 3.05Å; R80-D476 PolarHBondContact NH2-OD1 3.23Å; R80-D476 IonicContact NH2-OD2 3.98Å; R80-D476 PolarHBondContact NH2-OD2 3.36Å
81	V	96.1	Very high	93.8	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.018	12%	0.12	C	C	.	.	H	α-helix	trans	-60.2	-45.9	177.8	173.8	0	0	0	0	110.9	G77 G78 E79 W83 C84 A85 Y196 P280 P281 F479	G77-V81 WeakPolarHBondContact O-CG2 3.45Å; G77-V81 PolarHBondContact O-N 2.96Å; G77-V81 VanDerWaalsContact O-N 3.09Å; G78-V81 WeakPolarHBondContact O-CB 3.28Å; G78-V81 PolarHBondContact O-N 3.24Å; E79-V81 VanDerWaalsContact C-N 3.29Å; E79-V81 PolarHBondContact O-N 3.47Å; V81-W83 VanDerWaalsContact C-N 3.34Å; V81-W83 PolarHBondContact O-N 2.85Å; V81-C84 PolarHBondContact O-N 3.15Å; V81-A85 WeakPolarHBondContact O-CB 3.44Å; V81-A85 PolarHBondContact O-N 3.03Å; V81-Y196 HydrophobicContact CG1-CD1 3.86Å; V81-Y196 HydrophobicContact CG1-CD2 4.2Å; V81-Y196 HydrophobicContact CG1-CE1 3.69Å; V81-Y196 HydrophobicContact CG1-CE2 4.02Å; V81-Y196 HydrophobicContact CG1-CG 4.12Å; V81-Y196 HydrophobicContact CG2-CE1 4.39Å; V81-P280 HydrophobicContact CG2-CB 3.76Å; V81-P281 HydrophobicContact CG2-CG 4.28Å; V81-F479 HydrophobicContact CG1-CE2 3.99Å; V81-F479 HydrophobicContact CG1-CZ 3.91Å
82	L	97.9	Very high	93.8	Very high	1 Å²	1	23 Å²	23	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-53.8	-49.6	174.3	168.5	68.2	0	0	0	111.7	F67 H69 C72 G78 E79 R80 A85 L86 V100	F67-L82 HydrophobicContact CB-CD1 3.52Å; F67-L82 HydrophobicContact CD1-CD1 3.51Å; F67-L82 HydrophobicContact CD2-CD1 4.16Å; F67-L82 HydrophobicContact CE1-CD1 4.22Å; F67-L82 HydrophobicContact CG-CD1 3.46Å; F67-L82 VanDerWaalsContact CG-CD1 3.46Å; H69-L82 HydrophobicContact CB-CD2 3.95Å; C72-L82 HydrophobicContact CB-CD2 3.59Å; G78-L82 PolarHBondContact O-N 3.05Å; G78-L82 VanDerWaalsContact O-N 3.07Å; E79-L82 WeakPolarHBondContact O-CB 3.41Å; E79-L82 PolarHBondContact O-N 3.14Å; R80-L82 PolarHBondContact O-N 3.47Å; L82-A85 PolarHBondContact O-N 3.43Å; L82-L86 HydrophobicContact CD1-CD1 3.95Å; L82-L86 HydrophobicContact CD1-CG 4.33Å; L82-L86 HydrophobicContact CG-CD1 4.17Å; L82-L86 WeakPolarHBondContact O-CG 3.46Å; L82-L86 PolarHBondContact O-N 3.44Å; L82-V100 HydrophobicContact CD2-CG1 4.38Å
83	W	97.3	Very high	93.8	Very high	3 Å²	3	25.6 Å²	25.6	1%	0.011	14%	0.138	C	C	.	.	H	α-helix	trans	-71.3	-37.9	-175	-58.9	123.6	0	0	0	112.6	C72 E79 R80 V81 L86 R87 I112 L113 A116 F120 I122 L124 F130	C72-W83 HydrophobicContact CB-CZ2 4.06Å; E79-W83 PolarHBondContact O-N 2.99Å; E79-W83 PolarHBondContact O-NE1 3Å; R80-W83 PolarHBondContact O-N 2.7Å; V81-W83 VanDerWaalsContact C-N 3.34Å; V81-W83 PolarHBondContact O-N 2.85Å; W83-L86 HydrophobicContact CE3-CD1 3.68Å; W83-L86 HydrophobicContact CZ3-CD1 3.67Å; W83-L86 PolarHBondContact O-N 3.27Å; W83-R87 WeakPolarHBondContact O-CB 3.49Å; W83-R87 PolarHBondContact O-N 3.01Å; W83-I112 HydrophobicContact CH2-CG2 3.61Å; W83-I112 HydrophobicContact CZ2-CG2 3.48Å; W83-I112 VanDerWaalsContact CZ2-CG2 3.48Å; W83-L113 HydrophobicContact CH2-CD2 4.43Å; W83-L113 HydrophobicContact CZ3-CD2 3.98Å; W83-A116 HydrophobicContact CD2-CB 3.88Å; W83-A116 HydrophobicContact CG-CB 3.82Å; W83-A116 HydrophobicContact CZ2-CB 4.45Å; W83-F120 AromaticContact CD1-CD2 3.78Å; W83-F120 AromaticContact CD1-CE2 3.84Å; W83-I122 HydrophobicContact CB-CB 4.29Å; W83-I122 HydrophobicContact CB-CD1 3.76Å; W83-I122 HydrophobicContact CB-CG2 3.9Å; W83-L124 HydrophobicContact CE3-CD1 4.09Å; W83-L124 HydrophobicContact CZ3-CD1 4.27Å; W83-F130 AromaticContact CH2-CE1 3.94Å; W83-F130 HydrophobicContact CH2-CE1 3.94Å; W83-F130 AromaticContact CH2-CZ 3.95Å; W83-F130 HydrophobicContact CH2-CZ 3.95Å; W83-F130 HydrophobicContact CZ3-CZ 4.39Å
84	C	96.8	Very high	93.8	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.02	15%	0.148	C	C	.	.	H	α-helix	trans	-65.2	-40.6	171.9	-79.5	0	0	0	0	111.9	R80 V81 R87 A88 I122 P281 F479	R80-C84 PolarHBondContact NH1-SG 3.03Å; R80-C84 PolarHBondContact O-N 3.41Å; V81-C84 PolarHBondContact O-N 3.15Å; C84-R87 PolarHBondContact O-N 2.65Å; C84-A88 WeakPolarHBondContact O-CB 3.47Å; C84-A88 PolarHBondContact O-N 3Å; C84-I122 WeakPolarHBondContact SG-CD1 3.17Å; C84-P281 HydrophobicContact CB-CB 4.18Å; C84-P281 HydrophobicContact CB-CG 3.64Å; C84-F479 HydrophobicContact CB-CD1 3.89Å; C84-F479 HydrophobicContact CB-CE1 3.54Å; C84-F479 HydrophobicContact CB-CZ 4.45Å
85	A	98.2	Very high	94	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-61.2	-45.9	176.2	0	0	0	0	0	111.4	F67 V81 L82 A88 L89 F479 F483	F67-A85 HydrophobicContact CE1-CB 4.01Å; F67-A85 HydrophobicContact CZ-CB 3.89Å; V81-A85 WeakPolarHBondContact O-CB 3.44Å; V81-A85 PolarHBondContact O-N 3.03Å; L82-A85 PolarHBondContact O-N 3.43Å; A85-A88 PolarHBondContact O-N 3.26Å; A85-L89 WeakPolarHBondContact O-CG 3.34Å; A85-L89 PolarHBondContact O-N 3Å; A85-F479 HydrophobicContact CB-CE1 4.38Å; A85-F479 HydrophobicContact CB-CZ 4.15Å; A85-F483 HydrophobicContact CB-CD1 4.17Å; A85-F483 HydrophobicContact CB-CD2 4.33Å; A85-F483 HydrophobicContact CB-CE1 3.62Å; A85-F483 HydrophobicContact CB-CE2 3.82Å; A85-F483 HydrophobicContact CB-CZ 3.45Å; A85-F483 VanDerWaalsContact CB-CZ 3.45Å
86	L	98.2	Very high	94.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.1	-44.2	175.1	-80.3	169.7	0	0	0	112.2	F67 L82 W83 A88 L89 Q90 Y98 V100 L124 V128	F67-L86 HydrophobicContact CD2-CD2 3.84Å; F67-L86 HydrophobicContact CD2-CG 4.21Å; F67-L86 HydrophobicContact CE2-CD2 3.7Å; F67-L86 HydrophobicContact CE2-CG 4.04Å; L82-L86 HydrophobicContact CD1-CD1 3.95Å; L82-L86 HydrophobicContact CD1-CG 4.33Å; L82-L86 HydrophobicContact CG-CD1 4.17Å; L82-L86 WeakPolarHBondContact O-CG 3.46Å; L82-L86 PolarHBondContact O-N 3.44Å; W83-L86 HydrophobicContact CE3-CD1 3.68Å; W83-L86 HydrophobicContact CZ3-CD1 3.67Å; W83-L86 PolarHBondContact O-N 3.27Å; L86-A88 PolarHBondContact O-N 3.15Å; L86-L89 PolarHBondContact O-N 3.07Å; L86-Q90 WeakPolarHBondContact O-CB 3.17Å; L86-Q90 VanDerWaalsContact O-CG 3.29Å; L86-Q90 WeakPolarHBondContact O-CG 3.5Å; L86-Q90 PolarHBondContact O-N 2.78Å; L86-Y98 HydrophobicContact CD2-CD1 3.81Å; L86-Y98 HydrophobicContact CD2-CG 4.01Å; L86-V100 HydrophobicContact CD1-CG2 3.85Å; L86-L124 HydrophobicContact CB-CD1 4.34Å; L86-L124 HydrophobicContact CB-CD2 4.09Å; L86-L124 HydrophobicContact CD1-CD1 4.4Å; L86-V128 HydrophobicContact CD1-CG2 4.45Å
87	R	97.7	Very high	95.1	Very high	67 Å²	67	32.2 Å²	32.2	25%	0.253	16%	0.163	S	C	.	.	H	α-helix	trans	-58.7	-47.2	176.2	-176.8	177.5	66.1	-170.6	-1.8	111.3	W83 C84 Q90 K91 I122 L124 D476	W83-R87 WeakPolarHBondContact O-CB 3.49Å; W83-R87 PolarHBondContact O-N 3.01Å; C84-R87 PolarHBondContact O-N 2.65Å; R87-Q90 PolarHBondContact O-N 3.21Å; R87-K91 WeakPolarHBondContact O-CB 3.29Å; R87-K91 PolarHBondContact O-N 2.7Å; R87-K91 VanDerWaalsContact O-N 3.12Å; R87-I122 HydrophobicContact CB-CG2 4.43Å; R87-L124 HydrophobicContact CB-CD2 3.93Å; R87-D476 IonicContact CZ-OD2 3.88Å; R87-D476 IonicContact NH2-OD2 2.84Å; R87-D476 PolarHBondContact NH2-OD2 2.89Å
88	A	97.7	Very high	95.8	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.008	15%	0.149	C	C	.	.	H	α-helix	trans	-59.6	-49	177.8	0	0	0	0	0	111.7	C84 A85 L86 K91 K92 E480 L484	C84-A88 WeakPolarHBondContact O-CB 3.47Å; C84-A88 PolarHBondContact O-N 3Å; A85-A88 PolarHBondContact O-N 3.26Å; L86-A88 PolarHBondContact O-N 3.15Å; A88-K91 PolarHBondContact O-N 2.8Å; A88-K92 PolarHBondContact O-N 2.88Å; A88-K92 VanDerWaalsContact O-N 3.14Å; A88-E480 HydrophobicContact CB-CB 4.31Å; A88-E480 HydrophobicContact CB-CG 3.76Å; A88-L484 HydrophobicContact CB-CD1 4.31Å; A88-L484 HydrophobicContact CB-CD2 4.12Å; A88-L484 HydrophobicContact CB-CG 4.14Å
89	L	97.8	Very high	96.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.5	-46.4	178.9	-71.3	168.1	0	0	0	112	V65 F67 A85 L86 K91 K92 Y93 Y98 F483 L484 M487 L491	V65-L89 HydrophobicContact CG1-CD1 4.28Å; F67-L89 HydrophobicContact CE2-CD1 3.72Å; F67-L89 HydrophobicContact CZ-CD1 3.71Å; A85-L89 WeakPolarHBondContact O-CG 3.34Å; A85-L89 PolarHBondContact O-N 3Å; L86-L89 PolarHBondContact O-N 3.07Å; L89-K91 PolarHBondContact O-N 3.22Å; L89-K92 PolarHBondContact O-N 3.13Å; L89-Y93 HydrophobicContact CD2-CD2 4.05Å; L89-Y93 HydrophobicContact CD2-CE2 4.24Å; L89-Y93 WeakPolarHBondContact O-CA 3.39Å; L89-Y93 PolarHBondContact O-N 3.32Å; L89-Y98 HydrophobicContact CB-CD1 4.45Å; L89-Y98 HydrophobicContact CB-CE1 3.47Å; L89-Y98 VanDerWaalsContact CB-CE1 3.47Å; L89-Y98 HydrophobicContact CD1-CE1 4.08Å; L89-Y98 HydrophobicContact CG-CE1 4.35Å; L89-Y98 PolarHBondContact O-OH 3.39Å; L89-F483 HydrophobicContact CD1-CE1 3.86Å; L89-F483 HydrophobicContact CD1-CZ 4.33Å; L89-F483 HydrophobicContact CD2-CE1 4.2Å; L89-F483 HydrophobicContact CG-CE1 3.81Å; L89-L484 HydrophobicContact CD2-CD2 3.97Å; L89-L484 HydrophobicContact CG-CD2 4.46Å; L89-M487 HydrophobicContact CD2-CB 4.2Å; L89-M487 HydrophobicContact CD2-CE 4.47Å; L89-M487 HydrophobicContact CD2-CG 4.22Å; L89-L491 HydrophobicContact CD2-CD1 3.74Å
90	Q	97.2	Very high	96.4	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-59.5	-30.9	178.4	-78.7	-174.8	-0.9	0	0	113.2	L86 R87 P94 Y98 H126	L86-Q90 WeakPolarHBondContact O-CB 3.17Å; L86-Q90 VanDerWaalsContact O-CG 3.29Å; L86-Q90 WeakPolarHBondContact O-CG 3.5Å; L86-Q90 PolarHBondContact O-N 2.78Å; R87-Q90 PolarHBondContact O-N 3.21Å; Q90-P94 WeakPolarHBondContact O-CA 3.45Å; Q90-Y98 HydrophobicContact CB-CE2 4.26Å; Q90-Y98 HydrophobicContact CG-CD2 3.54Å; Q90-Y98 HydrophobicContact CG-CE2 3.43Å; Q90-Y98 VanDerWaalsContact CG-CE2 3.43Å; Q90-Y98 HydrophobicContact CG-CG 4.28Å; Q90-Y98 PolarHBondContact N-OH 2.77Å; Q90-H126 HydrophobicContact CG-CB 4.18Å; Q90-H126 PolarHBondContact NE2-O 2.75Å; Q90-H126 PolarHBondContact OE1-O 2.88Å
91	K	96.5	Very high	96.7	Very high	145 Å²	145	28.9 Å²	28.9	63%	0.63	14%	0.136	S	C	*	.	H	α-helix	trans	-74.1	-43.2	176.6	-176.4	-178.9	168.3	-162.3	0	112.1	R87 A88 L89 E480	R87-K91 WeakPolarHBondContact O-CB 3.29Å; R87-K91 PolarHBondContact O-N 2.7Å; R87-K91 VanDerWaalsContact O-N 3.12Å; A88-K91 PolarHBondContact O-N 2.8Å; L89-K91 PolarHBondContact O-N 3.22Å; K91-E480 WeakPolarHBondContact CD-OE1 3.48Å; K91-E480 IonicContact NZ-OE1 2.75Å; K91-E480 PolarHBondContact NZ-OE1 3.33Å; K91-E480 IonicContact NZ-OE2 3.78Å
92	K	96.1	Very high	96.8	Very high	85 Å²	85	28.7 Å²	28.7	37%	0.37	14%	0.135	S	C	.	.	H	α-helix	trans	-81.9	-33.5	-179.2	-172.1	172.6	178.6	-176.1	0	113.2	A88 L89 L484 E488	A88-K92 PolarHBondContact O-N 2.88Å; A88-K92 VanDerWaalsContact O-N 3.14Å; L89-K92 PolarHBondContact O-N 3.13Å; K92-L484 HydrophobicContact CB-CD1 4.1Å; K92-L484 HydrophobicContact CB-CD2 4.11Å; K92-L484 HydrophobicContact CD-CB 4.17Å; K92-L484 HydrophobicContact CD-CD1 3.95Å; K92-L484 HydrophobicContact CD-CD2 4.05Å; K92-L484 HydrophobicContact CD-CG 4.28Å; K92-E488 IonicContact NZ-OE2 2.77Å; K92-E488 PolarHBondContact NZ-OE2 2.81Å
93	Y	95.2	Very high	96.8	Very high	54 Å²	54	28.8 Å²	28.8	21%	0.212	14%	0.136	C	C	.	.			trans	-130	69.5	-175.7	-50.9	-79.1	0	0	0	110.9	L89 E95 A96 Y98 L484 L491	L89-Y93 HydrophobicContact CD2-CD2 4.05Å; L89-Y93 HydrophobicContact CD2-CE2 4.24Å; L89-Y93 WeakPolarHBondContact O-CA 3.39Å; L89-Y93 PolarHBondContact O-N 3.32Å; Y93-E95 VanDerWaalsContact C-N 3.25Å; Y93-E95 PolarHBondContact O-N 3.29Å; Y93-A96 PolarHBondContact O-N 3.27Å; Y93-Y98 PolarHBondContact O-OH 2.97Å; Y93-L484 HydrophobicContact CE2-CD2 4.43Å; Y93-L491 HydrophobicContact CD2-CD1 3.68Å; Y93-L491 HydrophobicContact CE1-CB 4.45Å; Y93-L491 HydrophobicContact CE2-CD1 3.4Å; Y93-L491 HydrophobicContact CG-CD1 4.36Å
94	P	94.3	Very high	96.8	Very high	60 Å²	60	29.6 Å²	29.6	39%	0.39	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-24.2	-176.3	26.9	-35.8	0	0	0	113.9	Q90 A96	Q90-P94 WeakPolarHBondContact O-CA 3.45Å; P94-A96 VanDerWaalsContact C-N 3.31Å; P94-A96 PolarHBondContact O-N 3.03Å
95	E	91.9	Very high	96.7	Very high	142 Å²	142	33.5 Å²	33.5	66%	0.664	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-13.2	180	-61.9	-62	146.5	0	0	113.6	Q62 Y93	Q62-E95 PolarHBondContact NE2-O 3.41Å; Y93-E95 VanDerWaalsContact C-N 3.25Å; Y93-E95 PolarHBondContact O-N 3.29Å
96	A	93.8	Very high	96.5	Very high	15 Å²	15	40.4 Å²	40.4	12%	0.124	20%	0.198	C	C	.	.	S	Bend	trans	-77.9	151.6	179.9	0	0	0	0	0	111.7	T63 Y93 P94 Y98	T63-A96 WeakPolarHBondContact O-CA 2.76Å; T63-A96 WeakPolarHBondContact O-CB 3.46Å; Y93-A96 PolarHBondContact O-N 3.27Å; P94-A96 VanDerWaalsContact C-N 3.31Å; P94-A96 PolarHBondContact O-N 3.03Å; A96-Y98 HydrophobicContact CB-CE1 4.48Å; A96-Y98 HydrophobicContact CB-CE2 4.16Å; A96-Y98 WeakPolarHBondContact O-CE2 3.43Å
97	V	95	Very high	96.4	Very high	22 Å²	22	42.2 Å²	42.2	13%	0.133	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	124.2	176.3	177.9	0	0	0	0	109.4	Q62 T63 V64 V65 Q129	Q62-V97 HydrophobicContact CB-CG2 3.98Å; T63-V97 PolarHBondContact O-N 2.97Å; V64-V97 CarbonylContact C-O 3.59Å; V64-V97 WeakPolarHBondContact CA-O 3.39Å; V64-V97 HydrophobicContact CG2-CB 4.37Å; V65-V97 PolarHBondContact N-O 2.9Å; V97-Q129 HydrophobicContact CG1-CG 4.48Å
98	Y	97.5	Very high	96.4	Very high	3 Å²	3	41.6 Å²	41.6	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	128.7	-178.4	-61.1	-77.2	0	0	0	111.7	V65 L86 L89 Q90 Y93 A96 Q129	V65-Y98 HydrophobicContact CB-CD1 4.04Å; V65-Y98 HydrophobicContact CB-CE1 4.11Å; V65-Y98 HydrophobicContact CG2-CE1 4.3Å; V65-Y98 WeakPolarHBondContact O-CA 3.22Å; L86-Y98 HydrophobicContact CD2-CD1 3.81Å; L86-Y98 HydrophobicContact CD2-CG 4.01Å; L89-Y98 HydrophobicContact CB-CD1 4.45Å; L89-Y98 HydrophobicContact CB-CE1 3.47Å; L89-Y98 VanDerWaalsContact CB-CE1 3.47Å; L89-Y98 HydrophobicContact CD1-CE1 4.08Å; L89-Y98 HydrophobicContact CG-CE1 4.35Å; L89-Y98 PolarHBondContact O-OH 3.39Å; Q90-Y98 HydrophobicContact CB-CE2 4.26Å; Q90-Y98 HydrophobicContact CG-CD2 3.54Å; Q90-Y98 HydrophobicContact CG-CE2 3.43Å; Q90-Y98 VanDerWaalsContact CG-CE2 3.43Å; Q90-Y98 HydrophobicContact CG-CG 4.28Å; Q90-Y98 PolarHBondContact N-OH 2.77Å; Y93-Y98 PolarHBondContact O-OH 2.97Å; A96-Y98 HydrophobicContact CB-CE1 4.48Å; A96-Y98 HydrophobicContact CB-CE2 4.16Å; A96-Y98 WeakPolarHBondContact O-CE2 3.43Å; Y98-Q129 PolarHBondContact O-N 2.85Å
99	V	98.2	Very high	96.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	139.6	179.7	-178.6	0	0	0	0	109.8	V64 V65 A66 F67 Y101 Q129 V131 R167	V64-V99 HydrophobicContact CG1-CG2 3.77Å; V65-V99 PolarHBondContact O-N 2.79Å; A66-V99 CarbonylContact C-O 3.26Å; A66-V99 VanDerWaalsContact CA-O 3.23Å; A66-V99 WeakPolarHBondContact CA-O 3.45Å; A66-V99 HydrophobicContact CB-CB 3.85Å; A66-V99 HydrophobicContact CB-CG1 4.3Å; F67-V99 PolarHBondContact N-O 3.2Å; V99-Y101 HydrophobicContact CG1-CE1 4.38Å; V99-Q129 CarbonylContact C-O 3.6Å; V99-Q129 VanDerWaalsContact CA-O 3.25Å; V99-Q129 WeakPolarHBondContact CA-O 3.37Å; V99-Q129 HydrophobicContact CG2-CB 4.19Å; V99-V131 HydrophobicContact CG1-CB 4.43Å; V99-V131 HydrophobicContact CG1-CG2 3.65Å; V99-R167 HydrophobicContact CG1-CG 4.3Å; V99-R167 HydrophobicContact CG2-CG 4.13Å
100	V	98.7	Very high	96.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	117.8	169.1	178.1	0	0	0	0	108.6	F67 H69 C72 L82 L86 V128 Q129 F130 V131	F67-V100 WeakPolarHBondContact O-CA 3.03Å; H69-V100 HydrophobicContact CB-CG1 4.46Å; C72-V100 HydrophobicContact CB-CG1 4.12Å; L82-V100 HydrophobicContact CD2-CG1 4.38Å; L86-V100 HydrophobicContact CD1-CG2 3.85Å; V100-V128 HydrophobicContact CB-CG1 4.35Å; V100-V128 HydrophobicContact CG2-CG1 3.66Å; V100-Q129 PolarHBondContact N-O 3.39Å; V100-F130 HydrophobicContact CB-CD1 3.98Å; V100-F130 HydrophobicContact CB-CE1 4.04Å; V100-F130 HydrophobicContact CG1-CD1 4.33Å; V100-F130 HydrophobicContact CG1-CE1 4.28Å; V100-F130 HydrophobicContact CG2-CE1 4.47Å; V100-V131 PolarHBondContact O-N 2.83Å
101	Y	98.7	Very high	96.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	116.2	167.3	-54.8	-74.3	0	0	0	108.8	A66 F67 F68 H69 V99 V131 L133 A163 R167 P169 Y172 F185	A66-Y101 HydrophobicContact CB-CD2 4.13Å; A66-Y101 HydrophobicContact CB-CE2 3.35Å; F67-Y101 PolarHBondContact O-N 2.76Å; F68-Y101 HydrophobicContact CB-CD2 4.35Å; F68-Y101 HydrophobicContact CD2-CD2 4.04Å; F68-Y101 HydrophobicContact CD2-CG 4.22Å; H69-Y101 CarbonylContact C-O 3.6Å; H69-Y101 PolarHBondContact N-O 3.12Å; H69-Y101 VanDerWaalsContact O-O 3.14Å; V99-Y101 HydrophobicContact CG1-CE1 4.38Å; Y101-V131 WeakPolarHBondContact CA-O 3.33Å; Y101-V131 HydrophobicContact CD1-CB 3.6Å; Y101-V131 HydrophobicContact CD1-CG1 3.67Å; Y101-V131 HydrophobicContact CD1-CG2 4.18Å; Y101-V131 HydrophobicContact CE1-CB 4.05Å; Y101-V131 HydrophobicContact CE1-CG1 4.03Å; Y101-V131 HydrophobicContact CE1-CG2 4.15Å; Y101-L133 HydrophobicContact CD1-CD2 4.46Å; Y101-A163 HydrophobicContact CD1-CB 3.44Å; Y101-A163 VanDerWaalsContact CD1-CB 3.44Å; Y101-A163 HydrophobicContact CD2-CB 4.31Å; Y101-A163 HydrophobicContact CE1-CB 3.73Å; Y101-A163 WeakPolarHBondContact CE1-O 3.26Å; Y101-A163 HydrophobicContact CG-CB 3.78Å; Y101-R167 HydrophobicContact CE1-CB 4.11Å; Y101-R167 PolarHBondContact OH-O 3.26Å; Y101-P169 WeakPolarHBondContact OH-CD 3.23Å; Y101-Y172 HydrophobicContact CE2-CD2 4.31Å; Y101-Y172 HydrophobicContact CE2-CE2 4.37Å; Y101-F185 HydrophobicContact CE2-CE1 4.12Å; Y101-F185 HydrophobicContact CE2-CZ 4.21Å
102	T	98.4	Very high	96.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	147.8	-176.9	177.8	0	0	0	0	110.8	C72 D104 I112 F130 V131 F132 L133	C72-T102 WeakPolarHBondContact SG-CB 3.39Å; C72-T102 PolarHBondContact SG-OG1 2.83Å; T102-D104 WeakPolarHBondContact OG1-CB 2.97Å; T102-D104 PolarHBondContact OG1-N 2.99Å; T102-D104 PolarHBondContact OG1-OD2 3.24Å; T102-I112 HydrophobicContact CG2-CD1 4.35Å; T102-F130 HydrophobicContact CG2-CD1 3.96Å; T102-V131 PolarHBondContact N-O 3.32Å; T102-F132 HydrophobicContact CG2-CD1 3.74Å; T102-F132 HydrophobicContact CG2-CE1 3.84Å; T102-F132 HydrophobicContact CG2-CG 4.48Å; T102-F132 CarbonylContact O-C 3.52Å; T102-F132 VanDerWaalsContact O-CA 3.28Å; T102-F132 WeakPolarHBondContact O-CA 3.48Å; T102-L133 PolarHBondContact O-N 2.89Å
103	G	97.7	Very high	96.3	Very high	2 Å²	2	43.6 Å²	43.6	2%	0.021	23%	0.232	C	C	.	.			trans	-95.8	11.7	169.5	0	0	0	0	0	113.9	P70 I105 L133 R136	P70-G103 PolarHBondContact O-N 3.36Å; G103-I105 PolarHBondContact O-N 3.42Å; G103-L133 WeakPolarHBondContact CA-O 3.3Å; G103-R136 VanDerWaalsContact O-CZ 3.27Å; G103-R136 PolarHBondContact O-NH1 2.98Å
104	D	96.3	Very high	96.2	Very high	21 Å²	21	45 Å²	45	11%	0.112	24%	0.244	C	C	.	.			trans	-76	55.3	178.4	-66.2	-52.5	0	0	0	112.1	C72 N73 T102 N106 V107 I112 F132 R136	C72-D104 PolarHBondContact N-OD2 3.15Å; N73-D104 HydrophobicContact CB-CB 4.21Å; N73-D104 VanDerWaalsContact CB-OD2 3.3Å; N73-D104 WeakPolarHBondContact CB-OD2 3.32Å; N73-D104 PolarHBondContact N-OD2 3.22Å; T102-D104 WeakPolarHBondContact OG1-CB 2.97Å; T102-D104 PolarHBondContact OG1-N 2.99Å; T102-D104 PolarHBondContact OG1-OD2 3.24Å; D104-N106 PolarHBondContact O-N 2.67Å; D104-V107 HydrophobicContact CB-CG2 3.76Å; D104-V107 VanDerWaalsContact O-CG2 3.27Å; D104-V107 WeakPolarHBondContact O-CG2 3.36Å; D104-V107 PolarHBondContact O-N 2.98Å; D104-I112 HydrophobicContact CB-CD1 4.26Å; D104-F132 WeakPolarHBondContact O-CD1 3.27Å; D104-F132 WeakPolarHBondContact O-CE1 3.47Å; D104-R136 IonicContact OD1-CZ 3.59Å; D104-R136 IonicContact OD1-NH1 3.77Å; D104-R136 PolarHBondContact OD1-NH1 3.08Å; D104-R136 IonicContact OD1-NH2 3.39Å
105	I	95.9	Very high	96.1	Very high	84 Å²	84	42.3 Å²	42.3	43%	0.431	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-17.8	-172.8	59	165.8	0	0	0	114.8	G103 F132 L133	G103-I105 PolarHBondContact O-N 3.42Å; I105-F132 HydrophobicContact CG2-CB 4.14Å; I105-L133 WeakPolarHBondContact CG2-O 3.4Å
106	N	94.6	Very high	96.1	Very high	147 Å²	147	35.8 Å²	35.8	79%	0.786	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.6	1.9	-174.7	-63.4	-29.3	0	0	0	113.2	D104	D104-N106 PolarHBondContact O-N 2.67Å
107	V	95.7	Very high	95.9	Very high	37 Å²	37	40.2 Å²	40.2	22%	0.224	21%	0.213	C	C	.	.	S	Bend	trans	-131.9	149.3	-179.9	-67.5	0	0	0	0	110.7	D104 Q111 I112 F132	D104-V107 HydrophobicContact CB-CG2 3.76Å; D104-V107 VanDerWaalsContact O-CG2 3.27Å; D104-V107 WeakPolarHBondContact O-CG2 3.36Å; D104-V107 PolarHBondContact O-N 2.98Å; V107-Q111 HydrophobicContact CB-CB 4.31Å; V107-I112 HydrophobicContact CG2-CD1 3.96Å; V107-I112 HydrophobicContact CG2-CG1 3.65Å; V107-F132 VanDerWaalsContact O-CE1 3.31Å; V107-F132 WeakPolarHBondContact O-CE1 3.21Å; V107-F132 WeakPolarHBondContact O-CZ 3.41Å
108	S	97.2	Very high	95.6	Very high	55 Å²	55	48.3 Å²	48.3	39%	0.385	24%	0.241	S	C	.	.			trans	-76.1	157.9	174.9	79	0	0	0	0	111.3	Q110 Q111 I112	S108-Q110 PolarHBondContact O-N 3.36Å; S108-Q111 PolarHBondContact O-N 3.21Å; S108-Q111 VanDerWaalsContact O-N 3.11Å; S108-Q111 WeakPolarHBondContact OG-CG 3.39Å; S108-Q111 PolarHBondContact OG-N 2.94Å; S108-Q111 PolarHBondContact OG-OE1 3.01Å; S108-I112 WeakPolarHBondContact O-CG1 3.13Å; S108-I112 PolarHBondContact O-N 3.28Å; S108-I112 VanDerWaalsContact O-N 3.1Å
109	G	96.8	Very high	94.9	Very high	15 Å²	15	53.3 Å²	53.3	16%	0.155	26%	0.26	C	S	.	.	H	α-helix	trans	-56.6	-36	174	0	0	0	0	0	112.8	I112 L113 F130	G109-I112 WeakPolarHBondContact O-CB 3.36Å; G109-I112 PolarHBondContact O-N 2.84Å; G109-L113 WeakPolarHBondContact O-CG 3.39Å; G109-L113 PolarHBondContact O-N 3.17Å; G109-L113 VanDerWaalsContact O-N 3.08Å; G109-F130 VanDerWaalsContact CA-CD2 3.4Å
110	Q	96.2	Very high	94.2	Very high	115 Å²	115	54.8 Å²	54.8	54%	0.537	27%	0.267	S	S	.	.	H	α-helix	trans	-66	-43.2	176.3	-170.9	59.6	47.7	0	0	111.7	S108 I112 L113 D114	S108-Q110 PolarHBondContact O-N 3.36Å; Q110-I112 VanDerWaalsContact C-N 3.25Å; Q110-I112 PolarHBondContact O-N 2.86Å; Q110-L113 PolarHBondContact O-N 3.5Å; Q110-L113 VanDerWaalsContact O-N 3.12Å; Q110-D114 PolarHBondContact NE2-OD1 3.39Å; Q110-D114 PolarHBondContact O-N 2.84Å
111	Q	96.4	Very high	93.5	Very high	106 Å²	106	60.1 Å²	60.1	50%	0.495	30%	0.295	S	S	.	.	H	α-helix	trans	-61.8	-34.5	176.4	-72.6	172.9	-49.6	0	0	112.3	V107 S108 G115	V107-Q111 HydrophobicContact CB-CB 4.31Å; S108-Q111 PolarHBondContact O-N 3.21Å; S108-Q111 VanDerWaalsContact O-N 3.11Å; S108-Q111 WeakPolarHBondContact OG-CG 3.39Å; S108-Q111 PolarHBondContact OG-N 2.94Å; S108-Q111 PolarHBondContact OG-OE1 3.01Å; Q111-G115 PolarHBondContact O-N 3.28Å
112	I	96.9	Very high	93.2	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-64.6	-47.2	173.9	-64.1	171.5	0	0	0	110.3	N73 W83 T102 D104 V107 S108 G109 Q110 G115 A116 F130 F132	N73-I112 HydrophobicContact CB-CG1 4.25Å; W83-I112 HydrophobicContact CH2-CG2 3.61Å; W83-I112 HydrophobicContact CZ2-CG2 3.48Å; W83-I112 VanDerWaalsContact CZ2-CG2 3.48Å; T102-I112 HydrophobicContact CG2-CD1 4.35Å; D104-I112 HydrophobicContact CB-CD1 4.26Å; V107-I112 HydrophobicContact CG2-CD1 3.96Å; V107-I112 HydrophobicContact CG2-CG1 3.65Å; S108-I112 WeakPolarHBondContact O-CG1 3.13Å; S108-I112 PolarHBondContact O-N 3.28Å; S108-I112 VanDerWaalsContact O-N 3.1Å; G109-I112 WeakPolarHBondContact O-CB 3.36Å; G109-I112 PolarHBondContact O-N 2.84Å; Q110-I112 VanDerWaalsContact C-N 3.25Å; Q110-I112 PolarHBondContact O-N 2.86Å; I112-G115 PolarHBondContact O-N 2.9Å; I112-A116 PolarHBondContact O-N 3.1Å; I112-F130 HydrophobicContact CB-CE1 4.28Å; I112-F130 HydrophobicContact CB-CZ 4.18Å; I112-F130 HydrophobicContact CD1-CD1 3.99Å; I112-F130 HydrophobicContact CD1-CE1 3.93Å; I112-F130 HydrophobicContact CG2-CE1 3.88Å; I112-F130 HydrophobicContact CG2-CZ 3.99Å; I112-F132 HydrophobicContact CD1-CE1 4.07Å; I112-F132 HydrophobicContact CD1-CZ 4.41Å
113	L	96.7	Very high	92.9	Very high	37 Å²	37	68.1 Å²	68.1	19%	0.194	33%	0.33	C	S	.	.	H	α-helix	trans	-64.4	-42.4	178.7	-66.3	174.7	0	0	0	112.2	W83 G109 Q110 G115 A116 F117 L124 F130	W83-L113 HydrophobicContact CH2-CD2 4.43Å; W83-L113 HydrophobicContact CZ3-CD2 3.98Å; G109-L113 WeakPolarHBondContact O-CG 3.39Å; G109-L113 PolarHBondContact O-N 3.17Å; G109-L113 VanDerWaalsContact O-N 3.08Å; Q110-L113 PolarHBondContact O-N 3.5Å; Q110-L113 VanDerWaalsContact O-N 3.12Å; L113-G115 VanDerWaalsContact C-N 3.27Å; L113-G115 PolarHBondContact O-N 2.87Å; L113-A116 WeakPolarHBondContact O-CB 3.43Å; L113-A116 PolarHBondContact O-N 3.19Å; L113-F117 PolarHBondContact O-N 3.18Å; L113-L124 HydrophobicContact CD2-CD1 3.69Å; L113-L124 HydrophobicContact CD2-CG 4.38Å; L113-F130 HydrophobicContact CD1-CE2 4.41Å; L113-F130 HydrophobicContact CD2-CZ 4.17Å; L113-F130 HydrophobicContact CG-CE2 4.21Å; L113-F130 HydrophobicContact CG-CZ 4.2Å
114	D	94.3	Very high	92.9	Very high	84 Å²	84	69.4 Å²	69.4	45%	0.449	34%	0.336	S	S	.	.	H	α-helix	trans	-62.7	-38	175.1	-62	-19.5	0	0	0	110.8	Q110 F117 R118	Q110-D114 PolarHBondContact NE2-OD1 3.39Å; Q110-D114 PolarHBondContact O-N 2.84Å; D114-F117 PolarHBondContact O-N 3.45Å; D114-R118 WeakPolarHBondContact O-CB 3.27Å; D114-R118 PolarHBondContact O-N 2.9Å
115	G	90.8	Very high	92.7	Very high	3 Å²	3	72.3 Å²	72.3	3%	0.031	36%	0.363	C	S	.	.	H	α-helix	trans	-62.5	-41.5	172.9	0	0	0	0	0	113.2	Q111 I112 L113 R119	Q111-G115 PolarHBondContact O-N 3.28Å; I112-G115 PolarHBondContact O-N 2.9Å; L113-G115 VanDerWaalsContact C-N 3.27Å; L113-G115 PolarHBondContact O-N 2.87Å; G115-R119 WeakPolarHBondContact O-CB 3.08Å; G115-R119 VanDerWaalsContact O-CG 3.28Å; G115-R119 WeakPolarHBondContact O-CG 3.24Å; G115-R119 PolarHBondContact O-N 3.44Å
116	A	91.8	Very high	92.5	Very high	4 Å²	4	71.9 Å²	71.9	3%	0.033	36%	0.359	C	S	.	.	H	α-helix	trans	-65.3	-44.1	175.4	0	0	0	0	0	111.8	W83 I112 L113 R119 F120	W83-A116 HydrophobicContact CD2-CB 3.88Å; W83-A116 HydrophobicContact CG-CB 3.82Å; W83-A116 HydrophobicContact CZ2-CB 4.45Å; I112-A116 PolarHBondContact O-N 3.1Å; L113-A116 WeakPolarHBondContact O-CB 3.43Å; L113-A116 PolarHBondContact O-N 3.19Å; A116-R119 PolarHBondContact O-N 3.42Å; A116-F120 WeakPolarHBondContact O-CB 3.39Å; A116-F120 PolarHBondContact O-N 3.45Å
117	F	91.2	Very high	92.5	Very high	109 Å²	109	70.5 Å²	70.5	48%	0.478	36%	0.358	S	S	.	.	H	α-helix	trans	-61.2	-49.2	175.2	178.4	-109	0	0	0	111.4	L113 D114 R119 N121 K123	L113-F117 PolarHBondContact O-N 3.18Å; D114-F117 PolarHBondContact O-N 3.45Å; F117-R119 VanDerWaalsContact C-N 3.34Å; F117-R119 PolarHBondContact O-N 2.87Å; F117-N121 WeakPolarHBondContact CE2-OD1 3.26Å; F117-N121 WeakPolarHBondContact O-CA 3.36Å; F117-N121 PolarHBondContact O-N 3.47Å; F117-K123 HydrophobicContact CD2-CB 4.27Å
118	R	87	Confident	92.5	Very high	191 Å²	191	69.4 Å²	69.4	72%	0.721	35%	0.352	S	S	*	.	H	α-helix	trans	-62.5	-36.7	-179.4	-179.6	178.3	57	167.2	-4.3	113.6	D114	D114-R118 WeakPolarHBondContact O-CB 3.27Å; D114-R118 PolarHBondContact O-N 2.9Å
119	R	82.8	Confident	92.5	Very high	109 Å²	109	71.3 Å²	71.3	41%	0.411	35%	0.354	S	S	.	.	H	α-helix	trans	-89.7	-30.2	-174.8	-68.4	176.8	-176	145.9	-7.3	113.8	N73 G115 A116 F117	N73-R119 PolarHBondContact O-NH1 3.31Å; N73-R119 PolarHBondContact OD1-NH1 2.94Å; G115-R119 WeakPolarHBondContact O-CB 3.08Å; G115-R119 VanDerWaalsContact O-CG 3.28Å; G115-R119 WeakPolarHBondContact O-CG 3.24Å; G115-R119 PolarHBondContact O-N 3.44Å; A116-R119 PolarHBondContact O-N 3.42Å; F117-R119 VanDerWaalsContact C-N 3.34Å; F117-R119 PolarHBondContact O-N 2.87Å
120	F	84.7	Confident	92.6	Very high	31 Å²	31	72.1 Å²	72.1	14%	0.136	35%	0.354	C	S	.	.	H	α-helix	trans	-127.5	-3.4	-170.6	-52.3	-54.1	0	0	0	114	G76 E79 R80 W83 A116 I122	G76-F120 WeakPolarHBondContact O-CZ 3.3Å; E79-F120 HydrophobicContact CB-CE2 4.04Å; E79-F120 HydrophobicContact CB-CZ 4.23Å; R80-F120 HydrophobicContact CB-CD1 3.85Å; R80-F120 HydrophobicContact CB-CD2 4.33Å; R80-F120 HydrophobicContact CB-CE1 3.8Å; R80-F120 HydrophobicContact CB-CE2 4.27Å; R80-F120 HydrophobicContact CB-CG 4.11Å; R80-F120 HydrophobicContact CB-CZ 4Å; R80-F120 HydrophobicContact CG-CB 4.21Å; R80-F120 HydrophobicContact CG-CD1 3.84Å; R80-F120 HydrophobicContact CG-CE1 4.3Å; R80-F120 HydrophobicContact CG-CG 3.95Å; W83-F120 AromaticContact CD1-CD2 3.78Å; W83-F120 AromaticContact CD1-CE2 3.84Å; A116-F120 WeakPolarHBondContact O-CB 3.39Å; A116-F120 PolarHBondContact O-N 3.45Å; F120-I122 HydrophobicContact CB-CB 4.46Å; F120-I122 HydrophobicContact CB-CD1 3.6Å; F120-I122 HydrophobicContact CB-CG1 3.85Å; F120-I122 HydrophobicContact CG-CD1 4.38Å; F120-I122 PolarHBondContact O-N 3.25Å
121	N	84.6	Confident	92.7	Very high	112 Å²	112	67.5 Å²	67.5	60%	0.599	33%	0.333	S	S	*	.			trans	56.1	34.7	-172.8	-165.1	27.1	0	0	0	113.1	F117	F117-N121 WeakPolarHBondContact CE2-OD1 3.26Å; F117-N121 WeakPolarHBondContact O-CA 3.36Å; F117-N121 PolarHBondContact O-N 3.47Å
122	I	90.8	Very high	92.8	Very high	4 Å²	4	65.4 Å²	65.4	2%	0.021	32%	0.323	C	S	.	.			trans	-105.3	116.1	179.7	-60.7	165.9	0	0	0	109.4	R80 W83 C84 R87 F120 L124	R80-I122 HydrophobicContact CG-CD1 4Å; W83-I122 HydrophobicContact CB-CB 4.29Å; W83-I122 HydrophobicContact CB-CD1 3.76Å; W83-I122 HydrophobicContact CB-CG2 3.9Å; C84-I122 WeakPolarHBondContact SG-CD1 3.17Å; R87-I122 HydrophobicContact CB-CG2 4.43Å; F120-I122 HydrophobicContact CB-CB 4.46Å; F120-I122 HydrophobicContact CB-CD1 3.6Å; F120-I122 HydrophobicContact CB-CG1 3.85Å; F120-I122 HydrophobicContact CG-CD1 4.38Å; F120-I122 PolarHBondContact O-N 3.25Å; I122-L124 HydrophobicContact CG2-CD2 4.24Å
123	K	93.4	Very high	92.8	Very high	164 Å²	164	65.4 Å²	65.4	71%	0.713	32%	0.323	S	S	*	.			trans	-107.4	132.2	170.2	-170.2	173.9	-177.6	177.8	0	109.7	F117	F117-K123 HydrophobicContact CD2-CB 4.27Å
124	L	96.1	Very high	92.9	Very high	28 Å²	28	73 Å²	73	15%	0.147	35%	0.349	C	S	.	.			trans	-88.4	141.7	175.9	-60.4	-172.1	0	0	0	110.3	W83 L86 R87 L113 I122 V128	W83-L124 HydrophobicContact CE3-CD1 4.09Å; W83-L124 HydrophobicContact CZ3-CD1 4.27Å; L86-L124 HydrophobicContact CB-CD1 4.34Å; L86-L124 HydrophobicContact CB-CD2 4.09Å; L86-L124 HydrophobicContact CD1-CD1 4.4Å; R87-L124 HydrophobicContact CB-CD2 3.93Å; L113-L124 HydrophobicContact CD2-CD1 3.69Å; L113-L124 HydrophobicContact CD2-CG 4.38Å; I122-L124 HydrophobicContact CG2-CD2 4.24Å; L124-V128 HydrophobicContact CD1-CG2 3.43Å; L124-V128 VanDerWaalsContact CD1-CG2 3.43Å
125	A	92	Very high	93.1	Very high	82 Å²	82	73.4 Å²	73.4	68%	0.678	35%	0.347	S	S	*	.	S	Bend	trans	-81.7	-28.3	-177.5	0	0	0	0	0	112.4
126	H	93.2	Very high	93.4	Very high	76 Å²	76	75.6 Å²	75.6	35%	0.352	35%	0.354	S	S	.	.	S	Bend	trans	-124.7	156.3	-177.5	-59	90.6	0	0	0	111.3	Q90	Q90-H126 HydrophobicContact CG-CB 4.18Å; Q90-H126 PolarHBondContact NE2-O 2.75Å; Q90-H126 PolarHBondContact OE1-O 2.88Å
127	P	93	Very high	93.6	Very high	117 Å²	117	80.1 Å²	80.1	76%	0.76	37%	0.371	S	S	*	.			trans	-59.6	147.1	175.8	-23.7	34.2	0	0	0	113
128	V	96.9	Very high	93.9	Very high	15 Å²	15	75.6 Å²	75.6	9%	0.091	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	133.4	172	177.2	0	0	0	0	108.8	L86 V100 L124 F130	L86-V128 HydrophobicContact CD1-CG2 4.45Å; V100-V128 HydrophobicContact CB-CG1 4.35Å; V100-V128 HydrophobicContact CG2-CG1 3.66Å; L124-V128 HydrophobicContact CD1-CG2 3.43Å; L124-V128 VanDerWaalsContact CD1-CG2 3.43Å; V128-F130 HydrophobicContact CB-CE2 4.25Å; V128-F130 HydrophobicContact CG1-CE2 4.22Å; V128-F130 HydrophobicContact CG1-CZ 4.21Å
129	Q	97.2	Very high	94.4	Very high	94 Å²	94	66.5 Å²	66.5	44%	0.439	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	130	174.2	-65.1	-178.6	-3.5	0	0	109.9	V97 Y98 V99 V100	V97-Q129 HydrophobicContact CG1-CG 4.48Å; Y98-Q129 PolarHBondContact O-N 2.85Å; V99-Q129 CarbonylContact C-O 3.6Å; V99-Q129 VanDerWaalsContact CA-O 3.25Å; V99-Q129 WeakPolarHBondContact CA-O 3.37Å; V99-Q129 HydrophobicContact CG2-CB 4.19Å; V100-Q129 PolarHBondContact N-O 3.39Å
130	F	98.3	Very high	94.9	Very high	33 Å²	33	64.4 Å²	64.4	15%	0.145	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.7	176.4	-69.1	-86.8	0	0	0	110.4	W83 V100 T102 G109 I112 L113 V128 F132	W83-F130 AromaticContact CH2-CE1 3.94Å; W83-F130 HydrophobicContact CH2-CE1 3.94Å; W83-F130 AromaticContact CH2-CZ 3.95Å; W83-F130 HydrophobicContact CH2-CZ 3.95Å; W83-F130 HydrophobicContact CZ3-CZ 4.39Å; V100-F130 HydrophobicContact CB-CD1 3.98Å; V100-F130 HydrophobicContact CB-CE1 4.04Å; V100-F130 HydrophobicContact CG1-CD1 4.33Å; V100-F130 HydrophobicContact CG1-CE1 4.28Å; V100-F130 HydrophobicContact CG2-CE1 4.47Å; T102-F130 HydrophobicContact CG2-CD1 3.96Å; G109-F130 VanDerWaalsContact CA-CD2 3.4Å; I112-F130 HydrophobicContact CB-CE1 4.28Å; I112-F130 HydrophobicContact CB-CZ 4.18Å; I112-F130 HydrophobicContact CD1-CD1 3.99Å; I112-F130 HydrophobicContact CD1-CE1 3.93Å; I112-F130 HydrophobicContact CG2-CE1 3.88Å; I112-F130 HydrophobicContact CG2-CZ 3.99Å; L113-F130 HydrophobicContact CD1-CE2 4.41Å; L113-F130 HydrophobicContact CD2-CZ 4.17Å; L113-F130 HydrophobicContact CG-CE2 4.21Å; L113-F130 HydrophobicContact CG-CZ 4.2Å; V128-F130 HydrophobicContact CB-CE2 4.25Å; V128-F130 HydrophobicContact CG1-CE2 4.22Å; V128-F130 HydrophobicContact CG1-CZ 4.21Å; F130-F132 HydrophobicContact CB-CD2 4.2Å; F130-F132 HydrophobicContact CB-CE1 4.41Å; F130-F132 HydrophobicContact CB-CE2 3.54Å; F130-F132 HydrophobicContact CB-CZ 3.66Å; F130-F132 HydrophobicContact CG-CZ 4.31Å
131	V	98.1	Very high	95.2	Very high	17 Å²	17	68 Å²	68	10%	0.103	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	106.7	171.3	176.2	0	0	0	0	107.5	V99 V100 Y101 T102 L133 Q166 R167	V99-V131 HydrophobicContact CG1-CB 4.43Å; V99-V131 HydrophobicContact CG1-CG2 3.65Å; V100-V131 PolarHBondContact O-N 2.83Å; Y101-V131 WeakPolarHBondContact CA-O 3.33Å; Y101-V131 HydrophobicContact CD1-CB 3.6Å; Y101-V131 HydrophobicContact CD1-CG1 3.67Å; Y101-V131 HydrophobicContact CD1-CG2 4.18Å; Y101-V131 HydrophobicContact CE1-CB 4.05Å; Y101-V131 HydrophobicContact CE1-CG1 4.03Å; Y101-V131 HydrophobicContact CE1-CG2 4.15Å; T102-V131 PolarHBondContact N-O 3.32Å; V131-L133 HydrophobicContact CG1-CD2 4.05Å; V131-Q166 HydrophobicContact CG1-CB 3.68Å; V131-Q166 HydrophobicContact CG1-CG 4.31Å; V131-R167 HydrophobicContact CG2-CB 3.94Å
132	F	98.4	Very high	95.4	Very high	62 Å²	62	67 Å²	67	27%	0.272	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	117.6	-175.4	-66.5	-83.1	0	0	0	111.1	T102 D104 I105 V107 I112 F130	T102-F132 HydrophobicContact CG2-CD1 3.74Å; T102-F132 HydrophobicContact CG2-CE1 3.84Å; T102-F132 HydrophobicContact CG2-CG 4.48Å; T102-F132 CarbonylContact O-C 3.52Å; T102-F132 VanDerWaalsContact O-CA 3.28Å; T102-F132 WeakPolarHBondContact O-CA 3.48Å; D104-F132 WeakPolarHBondContact O-CD1 3.27Å; D104-F132 WeakPolarHBondContact O-CE1 3.47Å; I105-F132 HydrophobicContact CG2-CB 4.14Å; V107-F132 VanDerWaalsContact O-CE1 3.31Å; V107-F132 WeakPolarHBondContact O-CE1 3.21Å; V107-F132 WeakPolarHBondContact O-CZ 3.41Å; I112-F132 HydrophobicContact CD1-CE1 4.07Å; I112-F132 HydrophobicContact CD1-CZ 4.41Å; F130-F132 HydrophobicContact CB-CD2 4.2Å; F130-F132 HydrophobicContact CB-CE1 4.41Å; F130-F132 HydrophobicContact CB-CE2 3.54Å; F130-F132 HydrophobicContact CB-CZ 3.66Å; F130-F132 HydrophobicContact CG-CZ 4.31Å
133	L	98.5	Very high	95.6	Very high	1 Å²	1	73.1 Å²	73.1	1%	0.005	36%	0.358	C	S	.	.			trans	-96.3	120.3	-176.7	-51.4	-176.6	0	0	0	110.4	F68 Y101 T102 G103 I105 V131 L159 E162 A163	F68-L133 HydrophobicContact CE2-CD1 3.89Å; F68-L133 HydrophobicContact CZ-CD1 4.36Å; Y101-L133 HydrophobicContact CD1-CD2 4.46Å; T102-L133 PolarHBondContact O-N 2.89Å; G103-L133 WeakPolarHBondContact CA-O 3.3Å; I105-L133 WeakPolarHBondContact CG2-O 3.4Å; V131-L133 HydrophobicContact CG1-CD2 4.05Å; L133-L159 HydrophobicContact CB-CD1 3.62Å; L133-L159 HydrophobicContact CD1-CD1 3.58Å; L133-L159 HydrophobicContact CD1-CD2 4.35Å; L133-L159 HydrophobicContact CD1-CG 3.71Å; L133-L159 HydrophobicContact CG-CD1 4.23Å; L133-E162 HydrophobicContact CD2-CG 4.09Å; L133-A163 HydrophobicContact CD1-CB 4.13Å; L133-A163 HydrophobicContact CD2-CB 3.8Å
134	R	98	Very high	95.7	Very high	197 Å²	197	67.4 Å²	67.4	74%	0.743	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-21	-177.3	-62.7	178.2	-179.9	-103	0	112.2	R136 E162	R134-R136 PolarHBondContact O-N 2.83Å; R134-E162 PolarHBondContact N-OE1 2.95Å; R134-E162 PolarHBondContact N-OE2 3.34Å
135	K	97.8	Very high	95.4	Very high	92 Å²	92	71 Å²	71	40%	0.4	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	22.3	-175.3	-56.1	-179.9	-178.4	-179.1	0	113.9	Y137 L138 L159 E162	K135-Y137 HydrophobicContact CB-CE1 4.19Å; K135-Y137 HydrophobicContact CG-CE1 4.35Å; K135-Y137 PolarHBondContact O-N 3.04Å; K135-Y137 VanDerWaalsContact O-N 3.12Å; K135-L138 HydrophobicContact CB-CD1 3.72Å; K135-L138 HydrophobicContact CB-CG 4.11Å; K135-L138 HydrophobicContact CD-CD1 4.13Å; K135-L138 HydrophobicContact CG-CD1 4.44Å; K135-L138 VanDerWaalsContact O-CB 3.28Å; K135-L138 WeakPolarHBondContact O-CB 3.46Å; K135-L138 WeakPolarHBondContact O-CG 3.3Å; K135-L138 PolarHBondContact O-N 2.79Å; K135-L159 HydrophobicContact CB-CD1 4.15Å; K135-E162 WeakPolarHBondContact CB-OE2 3.38Å; K135-E162 WeakPolarHBondContact CG-OE2 3.24Å; K135-E162 PolarHBondContact N-OE2 3.25Å
136	R	97.3	Very high	95.2	Very high	49 Å²	49	74 Å²	74	19%	0.185	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-54.3	-32.3	178.2	-177.6	175	67.7	-172.7	1	113	P70 Y71 G103 D104 R134 L138 V139	P70-R136 HydrophobicContact CB-CG 4.18Å; P70-R136 WeakPolarHBondContact O-CD 3.3Å; P70-R136 PolarHBondContact O-NH1 2.97Å; Y71-R136 HydrophobicContact CE1-CG 4.34Å; Y71-R136 HydrophobicContact CE2-CG 4.45Å; G103-R136 VanDerWaalsContact O-CZ 3.27Å; G103-R136 PolarHBondContact O-NH1 2.98Å; D104-R136 IonicContact OD1-CZ 3.59Å; D104-R136 IonicContact OD1-NH1 3.77Å; D104-R136 PolarHBondContact OD1-NH1 3.08Å; D104-R136 IonicContact OD1-NH2 3.39Å; R134-R136 PolarHBondContact O-N 2.83Å; R136-L138 PolarHBondContact O-N 3.21Å; R136-V139 HydrophobicContact CG-CG2 4.19Å; R136-V139 WeakPolarHBondContact O-CG2 3.47Å; R136-V139 PolarHBondContact O-N 3.04Å
137	Y	96.3	Very high	95.1	Very high	99 Å²	99	76.6 Å²	76.6	39%	0.388	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-54.8	-19.9	175.1	69	-96.3	0	0	0	114	K135 V139 E140 R143	K135-Y137 HydrophobicContact CB-CE1 4.19Å; K135-Y137 HydrophobicContact CG-CE1 4.35Å; K135-Y137 PolarHBondContact O-N 3.04Å; K135-Y137 VanDerWaalsContact O-N 3.12Å; Y137-V139 PolarHBondContact O-N 3.47Å; Y137-E140 PolarHBondContact O-N 3.49Å; Y137-R143 VanDerWaalsContact O-CD 3.29Å; Y137-R143 WeakPolarHBondContact O-CD 3.28Å
138	L	97.8	Very high	95.1	Very high	15 Å²	15	73.2 Å²	73.2	8%	0.079	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-69.5	-17.6	175.6	-65.7	179.1	0	0	0	113.5	K135 R136 Y144 G155 L158	K135-L138 HydrophobicContact CB-CD1 3.72Å; K135-L138 HydrophobicContact CB-CG 4.11Å; K135-L138 HydrophobicContact CD-CD1 4.13Å; K135-L138 HydrophobicContact CG-CD1 4.44Å; K135-L138 VanDerWaalsContact O-CB 3.28Å; K135-L138 WeakPolarHBondContact O-CB 3.46Å; K135-L138 WeakPolarHBondContact O-CG 3.3Å; K135-L138 PolarHBondContact O-N 2.79Å; R136-L138 PolarHBondContact O-N 3.21Å; L138-Y144 WeakPolarHBondContact O-CE2 3.4Å; L138-Y144 PolarHBondContact O-OH 2.79Å; L138-G155 WeakPolarHBondContact O-CA 3.44Å; L138-L158 HydrophobicContact CD1-CB 3.65Å; L138-L158 HydrophobicContact CD1-CD1 4.02Å
139	V	96.8	Very high	95	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-107.9	6.2	176.7	-61.3	0	0	0	0	113.2	Y71 R136 Y137 Q152 L159 Y178	Y71-V139 HydrophobicContact CE2-CG2 4.24Å; R136-V139 HydrophobicContact CG-CG2 4.19Å; R136-V139 WeakPolarHBondContact O-CG2 3.47Å; R136-V139 PolarHBondContact O-N 3.04Å; Y137-V139 PolarHBondContact O-N 3.47Å; V139-Q152 PolarHBondContact O-NE2 3.43Å; V139-L159 HydrophobicContact CG1-CB 4.48Å; V139-L159 HydrophobicContact CG1-CD2 3.86Å; V139-L159 HydrophobicContact CG2-CD2 3.83Å; V139-Y178 HydrophobicContact CB-CE1 3.7Å; V139-Y178 HydrophobicContact CG1-CD1 4.23Å; V139-Y178 HydrophobicContact CG1-CE1 3.79Å; V139-Y178 HydrophobicContact CG2-CE1 4.19Å
140	E	94.2	Very high	95	Very high	65 Å²	65	72.4 Å²	72.4	30%	0.304	34%	0.342	S	S	.	.			trans	-78.3	136.4	176	-68.5	176.2	-173.2	0	0	110.6	Y137 R143 Y144	Y137-E140 PolarHBondContact O-N 3.49Å; E140-R143 WeakPolarHBondContact O-CB 3.41Å; E140-R143 PolarHBondContact O-N 2.99Å; E140-Y144 WeakPolarHBondContact O-CD2 3.3Å
141	D	89.7	Confident	94.9	Very high	105 Å²	105	71.3 Å²	71.3	56%	0.561	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-66	-36.8	-178.3	60	-21	0	0	0	112.5	R143 Y144 T148	D141-R143 PolarHBondContact O-N 2.67Å; D141-R143 VanDerWaalsContact O-N 3.07Å; D141-Y144 CarbonylContact O-C 3.5Å; D141-Y144 PolarHBondContact O-N 2.92Å; D141-T148 HydrophobicContact CB-CG2 3.93Å
142	S	90.6	Very high	94.9	Very high	93 Å²	93	72.7 Å²	72.7	65%	0.65	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-54.4	-26.5	175.9	65.8	0	0	0	0	113.6	Y144	S142-Y144 VanDerWaalsContact C-N 3.3Å
143	R	93.9	Very high	94.9	Very high	131 Å²	131	70 Å²	70	49%	0.494	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-73.3	-22.8	176.6	-170.9	172	-167.5	80.9	2.2	113.1	Y137 E140 D141 P145	Y137-R143 VanDerWaalsContact O-CD 3.29Å; Y137-R143 WeakPolarHBondContact O-CD 3.28Å; E140-R143 WeakPolarHBondContact O-CB 3.41Å; E140-R143 PolarHBondContact O-N 2.99Å; D141-R143 PolarHBondContact O-N 2.67Å; D141-R143 VanDerWaalsContact O-N 3.07Å; R143-P145 WeakPolarHBondContact O-CD 3.36Å
144	Y	94.9	Very high	94.8	Very high	44 Å²	44	74.3 Å²	74.3	17%	0.173	36%	0.357	C	S	.	.			trans	-126.8	74.9	-172.8	-50.4	-72.9	0	0	0	110.6	L138 E140 D141 S142 H146 T148 G151 Q152	L138-Y144 WeakPolarHBondContact O-CE2 3.4Å; L138-Y144 PolarHBondContact O-OH 2.79Å; E140-Y144 WeakPolarHBondContact O-CD2 3.3Å; D141-Y144 CarbonylContact O-C 3.5Å; D141-Y144 PolarHBondContact O-N 2.92Å; S142-Y144 VanDerWaalsContact C-N 3.3Å; Y144-H146 PolarHBondContact O-N 3.05Å; Y144-H146 VanDerWaalsContact O-N 3.14Å; Y144-T148 WeakPolarHBondContact O-CB 3.42Å; Y144-T148 PolarHBondContact O-OG1 2.89Å; Y144-G151 VanDerWaalsContact CZ-C 3.42Å; Y144-G151 VanDerWaalsContact CZ-O 3.27Å; Y144-G151 PolarHBondContact OH-O 3.07Å; Y144-Q152 HydrophobicContact CD2-CG 3.84Å; Y144-Q152 HydrophobicContact CE2-CG 4.12Å
145	P	90.2	Very high	94.8	Very high	103 Å²	103	65 Å²	65	67%	0.669	32%	0.322	S	S	*	.	S	Bend	trans	-62.7	-19.6	176.9	26	-35.2	0	0	0	113.2	R143	R143-P145 WeakPolarHBondContact O-CD 3.36Å
146	H	88.7	Confident	94.9	Very high	147 Å²	147	60.6 Å²	60.6	68%	0.681	30%	0.303	S	S	*	.	S	Bend	trans	-128.6	148	173.4	-56.2	-46.2	0	0	0	109.9	Y144 T148	Y144-H146 PolarHBondContact O-N 3.05Å; Y144-H146 VanDerWaalsContact O-N 3.14Å; H146-T148 PolarHBondContact O-N 3.14Å
147	F	91.2	Very high	94.9	Very high	130 Å²	130	61.1 Å²	61.1	57%	0.57	31%	0.309	S	S	*	.	S	Bend	trans	52.6	37	-177.6	-57.5	-81.3	0	0	0	113.4	L149 L150 G151 Y236	F147-L149 VanDerWaalsContact C-N 3.28Å; F147-L149 PolarHBondContact O-N 3.12Å; F147-L149 VanDerWaalsContact O-N 3.15Å; F147-L150 HydrophobicContact CB-CB 4.37Å; F147-L150 PolarHBondContact O-N 3.42Å; F147-G151 PolarHBondContact O-N 2.9Å; F147-Y236 HydrophobicContact CD1-CD1 4.15Å; F147-Y236 AromaticContact CD1-CD2 3.99Å; F147-Y236 HydrophobicContact CD1-CD2 3.99Å; F147-Y236 AromaticContact CD1-CE1 3.95Å; F147-Y236 HydrophobicContact CD1-CE1 3.95Å; F147-Y236 AromaticContact CD1-CE2 3.79Å; F147-Y236 HydrophobicContact CD1-CE2 3.79Å; F147-Y236 HydrophobicContact CD1-CG 4.18Å; F147-Y236 AromaticContact CD1-CZ 3.78Å; F147-Y236 HydrophobicContact CE1-CD1 4.38Å; F147-Y236 HydrophobicContact CE1-CD2 4.23Å; F147-Y236 HydrophobicContact CE1-CE2 4.48Å; F147-Y236 HydrophobicContact CE1-CG 4.2Å
148	T	93.1	Very high	95	Very high	46 Å²	46	61 Å²	61	28%	0.282	31%	0.314	S	S	.	.	H	α-helix	trans	-48.9	-46	-173.3	-43.6	0	0	0	0	112.9	D141 Y144 H146 L150 G151 Q152	D141-T148 HydrophobicContact CB-CG2 3.93Å; Y144-T148 WeakPolarHBondContact O-CB 3.42Å; Y144-T148 PolarHBondContact O-OG1 2.89Å; H146-T148 PolarHBondContact O-N 3.14Å; T148-L150 PolarHBondContact O-N 2.69Å; T148-G151 PolarHBondContact O-N 3.32Å; T148-Q152 HydrophobicContact CG2-CG 4.3Å; T148-Q152 WeakPolarHBondContact O-CB 3.41Å; T148-Q152 WeakPolarHBondContact O-CG 3.38Å; T148-Q152 PolarHBondContact O-N 2.75Å
149	L	94.2	Very high	95.1	Very high	26 Å²	26	60.2 Å²	60.2	14%	0.136	31%	0.31	C	S	.	.	H	α-helix	trans	-58.9	-45.1	178.5	-58.1	-179.3	0	0	0	112.2	F147 S153 T201 I202 M206 Y237 F240	F147-L149 VanDerWaalsContact C-N 3.28Å; F147-L149 PolarHBondContact O-N 3.12Å; F147-L149 VanDerWaalsContact O-N 3.15Å; L149-S153 WeakPolarHBondContact O-CB 3.43Å; L149-S153 PolarHBondContact O-N 2.75Å; L149-S153 PolarHBondContact O-OG 3.35Å; L149-T201 HydrophobicContact CD2-CG2 4.37Å; L149-T201 WeakPolarHBondContact CD2-O 3.41Å; L149-I202 HydrophobicContact CD1-CB 4.47Å; L149-I202 HydrophobicContact CD1-CD1 4.44Å; L149-M206 HydrophobicContact CD1-CE 3.92Å; L149-Y237 HydrophobicContact CD1-CE1 4.17Å; L149-F240 HydrophobicContact CB-CD1 4.44Å; L149-F240 HydrophobicContact CB-CE1 4Å; L149-F240 HydrophobicContact CB-CE2 4.1Å; L149-F240 HydrophobicContact CB-CZ 3.81Å; L149-F240 HydrophobicContact CD1-CD1 4.32Å; L149-F240 HydrophobicContact CD1-CE1 4.25Å
150	L	96.1	Very high	95.1	Very high	66 Å²	66	60.2 Å²	60.2	35%	0.346	31%	0.31	S	S	.	.	H	α-helix	trans	-69.7	-44.8	178.9	178.7	63.5	0	0	0	110.9	F147 T148 S153 L154 Y236 F240	F147-L150 HydrophobicContact CB-CB 4.37Å; F147-L150 PolarHBondContact O-N 3.42Å; T148-L150 PolarHBondContact O-N 2.69Å; L150-S153 PolarHBondContact O-N 2.78Å; L150-L154 HydrophobicContact CD1-CD1 4.05Å; L150-L154 HydrophobicContact CD1-CG 4.07Å; L150-L154 HydrophobicContact CG-CD1 4.03Å; L150-L154 HydrophobicContact CG-CG 4.42Å; L150-L154 WeakPolarHBondContact O-CG 3.15Å; L150-L154 PolarHBondContact O-N 2.88Å; L150-Y236 HydrophobicContact CB-CE2 4.07Å; L150-Y236 WeakPolarHBondContact CB-OH 3.48Å; L150-Y236 HydrophobicContact CD2-CE2 4.43Å; L150-Y236 PolarHBondContact N-OH 3.3Å; L150-Y236 VanDerWaalsContact N-OH 3.13Å; L150-F240 HydrophobicContact CB-CD2 4.45Å; L150-F240 HydrophobicContact CD1-CD2 4.5Å
151	G	97.2	Very high	95.3	Very high	10 Å²	10	61.3 Å²	61.3	10%	0.103	31%	0.312	C	S	.	.	H	α-helix	trans	-58.3	-52.5	178.7	0	0	0	0	0	112.3	Y144 F147 T148 S153 L154 G155	Y144-G151 VanDerWaalsContact CZ-C 3.42Å; Y144-G151 VanDerWaalsContact CZ-O 3.27Å; Y144-G151 PolarHBondContact OH-O 3.07Å; F147-G151 PolarHBondContact O-N 2.9Å; T148-G151 PolarHBondContact O-N 3.32Å; G151-S153 VanDerWaalsContact C-N 3.32Å; G151-S153 PolarHBondContact O-N 3.34Å; G151-L154 PolarHBondContact O-N 3Å; G151-G155 PolarHBondContact O-N 3.28Å
152	Q	97.6	Very high	95.7	Very high	46 Å²	46	57.5 Å²	57.5	22%	0.215	29%	0.29	C	S	.	.	H	α-helix	trans	-62.5	-38.1	176.4	-69.7	-178.5	-54.3	0	0	112.2	V139 Y144 T148 G155 S156	V139-Q152 PolarHBondContact O-NE2 3.43Å; Y144-Q152 HydrophobicContact CD2-CG 3.84Å; Y144-Q152 HydrophobicContact CE2-CG 4.12Å; T148-Q152 HydrophobicContact CG2-CG 4.3Å; T148-Q152 WeakPolarHBondContact O-CB 3.41Å; T148-Q152 WeakPolarHBondContact O-CG 3.38Å; T148-Q152 PolarHBondContact O-N 2.75Å; Q152-G155 PolarHBondContact O-N 3.11Å; Q152-S156 WeakPolarHBondContact O-CB 3.02Å; Q152-S156 PolarHBondContact O-N 2.84Å
153	S	98.2	Very high	96.1	Very high	4 Å²	4	53 Å²	53	3%	0.028	26%	0.26	C	S	.	.	H	α-helix	trans	-63.4	-47.3	177.3	-65.4	0	0	0	0	112	L149 L150 G151 S156 I157 F180 F240	L149-S153 WeakPolarHBondContact O-CB 3.43Å; L149-S153 PolarHBondContact O-N 2.75Å; L149-S153 PolarHBondContact O-OG 3.35Å; L150-S153 PolarHBondContact O-N 2.78Å; G151-S153 VanDerWaalsContact C-N 3.32Å; G151-S153 PolarHBondContact O-N 3.34Å; S153-S156 PolarHBondContact O-N 3.48Å; S153-S156 PolarHBondContact O-OG 3.34Å; S153-I157 PolarHBondContact O-N 3.29Å; S153-F180 VanDerWaalsContact CB-CD2 3.47Å; S153-F180 WeakPolarHBondContact OG-CD2 3.43Å; S153-F180 VanDerWaalsContact OG-CE2 3.22Å; S153-F180 WeakPolarHBondContact OG-CE2 3.49Å; S153-F240 WeakPolarHBondContact OG-CE2 3.42Å; S153-F240 VanDerWaalsContact OG-CZ 3.31Å; S153-F240 WeakPolarHBondContact OG-CZ 3.17Å
154	L	97.8	Very high	96.2	Very high	92 Å²	92	46.8 Å²	46.8	48%	0.482	24%	0.236	S	C	.	.	H	α-helix	trans	-66.2	-40.9	176	-67.3	176	0	0	0	111.7	L150 G151 S156 I157 L158	L150-L154 HydrophobicContact CD1-CD1 4.05Å; L150-L154 HydrophobicContact CD1-CG 4.07Å; L150-L154 HydrophobicContact CG-CD1 4.03Å; L150-L154 HydrophobicContact CG-CG 4.42Å; L150-L154 WeakPolarHBondContact O-CG 3.15Å; L150-L154 PolarHBondContact O-N 2.88Å; G151-L154 PolarHBondContact O-N 3Å; L154-S156 VanDerWaalsContact C-N 3.27Å; L154-S156 PolarHBondContact O-N 2.78Å; L154-I157 HydrophobicContact CD2-CD1 4.27Å; L154-I157 WeakPolarHBondContact O-CB 3.49Å; L154-I157 PolarHBondContact O-N 2.98Å; L154-L158 PolarHBondContact O-N 2.88Å
155	G	98.2	Very high	96.2	Very high	2 Å²	2	48.4 Å²	48.4	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-60.6	-35.8	174.2	0	0	0	0	0	113	L138 G151 Q152 I157 L158 L159	L138-G155 WeakPolarHBondContact O-CA 3.44Å; G151-G155 PolarHBondContact O-N 3.28Å; Q152-G155 PolarHBondContact O-N 3.11Å; G155-I157 VanDerWaalsContact C-N 3.31Å; G155-I157 PolarHBondContact O-N 3.32Å; G155-L158 PolarHBondContact O-N 2.93Å; G155-L159 PolarHBondContact O-N 3.18Å
156	S	98.4	Very high	96.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-66.4	-31.4	177.1	81.1	0	0	0	0	112.6	Q152 S153 L154 L159 G160 T181	Q152-S156 WeakPolarHBondContact O-CB 3.02Å; Q152-S156 PolarHBondContact O-N 2.84Å; S153-S156 PolarHBondContact O-N 3.48Å; S153-S156 PolarHBondContact O-OG 3.34Å; L154-S156 VanDerWaalsContact C-N 3.27Å; L154-S156 PolarHBondContact O-N 2.78Å; S156-L159 PolarHBondContact O-N 3.06Å; S156-G160 PolarHBondContact O-N 3Å; S156-T181 WeakPolarHBondContact O-CG2 3.46Å
157	I	98.4	Very high	96.8	Very high	60 Å²	60	42.1 Å²	42.1	31%	0.308	21%	0.207	S	C	.	.	H	α-helix	trans	-63.4	-44.9	173.7	-61	170.3	0	0	0	109.8	S153 L154 G155 G160 W161 F180	S153-I157 PolarHBondContact O-N 3.29Å; L154-I157 HydrophobicContact CD2-CD1 4.27Å; L154-I157 WeakPolarHBondContact O-CB 3.49Å; L154-I157 PolarHBondContact O-N 2.98Å; G155-I157 VanDerWaalsContact C-N 3.31Å; G155-I157 PolarHBondContact O-N 3.32Å; I157-G160 PolarHBondContact O-N 3.01Å; I157-W161 WeakPolarHBondContact O-CB 3.42Å; I157-W161 PolarHBondContact O-N 3.49Å; I157-F180 HydrophobicContact CD1-CB 4.38Å; I157-F180 HydrophobicContact CD1-CD1 4.29Å; I157-F180 HydrophobicContact CG1-CB 3.92Å
158	L	98.4	Very high	97	Very high	95 Å²	95	36.3 Å²	36.3	50%	0.497	18%	0.182	S	C	.	.	H	α-helix	trans	-68.6	-35.9	179.2	-63.7	177.8	0	0	0	112.4	L138 L154 G155 W161 E162	L138-L158 HydrophobicContact CD1-CB 3.65Å; L138-L158 HydrophobicContact CD1-CD1 4.02Å; L154-L158 PolarHBondContact O-N 2.88Å; G155-L158 PolarHBondContact O-N 2.93Å; L158-W161 WeakPolarHBondContact O-CB 3.49Å; L158-W161 PolarHBondContact O-N 3.3Å; L158-E162 PolarHBondContact O-N 3.43Å; L158-E162 VanDerWaalsContact O-N 3.08Å
159	L	98.6	Very high	97.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-68.6	-41.9	173.4	-173	61.7	0	0	0	111.5	F68 P70 L133 K135 V139 G155 S156 W161 E162 A163	F68-L159 HydrophobicContact CE1-CD2 4.44Å; F68-L159 HydrophobicContact CE2-CG 4.38Å; F68-L159 HydrophobicContact CZ-CB 4.27Å; F68-L159 HydrophobicContact CZ-CD2 3.85Å; F68-L159 HydrophobicContact CZ-CG 3.79Å; P70-L159 HydrophobicContact CB-CD2 4.24Å; P70-L159 HydrophobicContact CG-CD2 3.87Å; L133-L159 HydrophobicContact CB-CD1 3.62Å; L133-L159 HydrophobicContact CD1-CD1 3.58Å; L133-L159 HydrophobicContact CD1-CD2 4.35Å; L133-L159 HydrophobicContact CD1-CG 3.71Å; L133-L159 HydrophobicContact CG-CD1 4.23Å; K135-L159 HydrophobicContact CB-CD1 4.15Å; V139-L159 HydrophobicContact CG1-CB 4.48Å; V139-L159 HydrophobicContact CG1-CD2 3.86Å; V139-L159 HydrophobicContact CG2-CD2 3.83Å; G155-L159 PolarHBondContact O-N 3.18Å; S156-L159 PolarHBondContact O-N 3.06Å; L159-W161 VanDerWaalsContact C-N 3.27Å; L159-W161 PolarHBondContact O-N 3.21Å; L159-E162 WeakPolarHBondContact O-CB 3.38Å; L159-E162 PolarHBondContact O-N 3.44Å; L159-A163 PolarHBondContact O-N 3.48Å
160	G	98.5	Very high	97.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.4	-35.8	172	0	0	0	0	0	112	S156 I157 A163 L164 L184	S156-G160 PolarHBondContact O-N 3Å; I157-G160 PolarHBondContact O-N 3.01Å; G160-A163 WeakPolarHBondContact O-CB 3.43Å; G160-A163 PolarHBondContact O-N 3Å; G160-L164 WeakPolarHBondContact O-CB 3.16Å; G160-L164 PolarHBondContact O-N 3.34Å; G160-L184 VanDerWaalsContact C-CD2 3.44Å
161	W	98.1	Very high	97.3	Very high	87 Å²	87	31.2 Å²	31.2	33%	0.33	15%	0.154	S	C	.	.	H	α-helix	trans	-64.3	-46	173.8	-175.8	-96.2	0	0	0	111.7	I42 I157 L158 L159 A163 L164 M165 L184 V188	I42-W161 HydrophobicContact CD1-CH2 3.89Å; I42-W161 HydrophobicContact CD1-CZ2 4.34Å; I42-W161 HydrophobicContact CG2-CH2 3.87Å; I42-W161 HydrophobicContact CG2-CZ2 4.48Å; I157-W161 WeakPolarHBondContact O-CB 3.42Å; I157-W161 PolarHBondContact O-N 3.49Å; L158-W161 WeakPolarHBondContact O-CB 3.49Å; L158-W161 PolarHBondContact O-N 3.3Å; L159-W161 VanDerWaalsContact C-N 3.27Å; L159-W161 PolarHBondContact O-N 3.21Å; W161-A163 VanDerWaalsContact C-N 3.29Å; W161-A163 PolarHBondContact O-N 3.39Å; W161-L164 PolarHBondContact O-N 3.05Å; W161-M165 HydrophobicContact CD2-CG 4.39Å; W161-M165 HydrophobicContact CG-CG 4.47Å; W161-M165 HydrophobicContact CZ2-CG 4.38Å; W161-M165 HydrophobicContact CZ2-SD 3.93Å; W161-M165 WeakPolarHBondContact O-CB 3.24Å; W161-M165 VanDerWaalsContact O-CG 3.25Å; W161-M165 WeakPolarHBondContact O-CG 3.44Å; W161-M165 PolarHBondContact O-N 3.41Å; W161-L184 HydrophobicContact CB-CD2 4.23Å; W161-L184 HydrophobicContact CE3-CD1 3.59Å; W161-L184 HydrophobicContact CE3-CD2 4.43Å; W161-L184 HydrophobicContact CZ3-CD1 3.88Å; W161-L184 VanDerWaalsContact N-CD2 3.34Å; W161-V188 HydrophobicContact CZ3-CG1 4.09Å
162	E	98.3	Very high	97.3	Very high	25 Å²	25	30.8 Å²	30.8	12%	0.117	15%	0.149	C	C	.	.	H	α-helix	trans	-56.3	-45.3	173.3	179.8	-178.5	-162.5	0	0	111.3	L133 R134 K135 L158 L159 Q166	L133-E162 HydrophobicContact CD2-CG 4.09Å; R134-E162 PolarHBondContact N-OE1 2.95Å; R134-E162 PolarHBondContact N-OE2 3.34Å; K135-E162 WeakPolarHBondContact CB-OE2 3.38Å; K135-E162 WeakPolarHBondContact CG-OE2 3.24Å; K135-E162 PolarHBondContact N-OE2 3.25Å; L158-E162 PolarHBondContact O-N 3.43Å; L158-E162 VanDerWaalsContact O-N 3.08Å; L159-E162 WeakPolarHBondContact O-CB 3.38Å; L159-E162 PolarHBondContact O-N 3.44Å; E162-Q166 WeakPolarHBondContact O-CG 3.48Å; E162-Q166 PolarHBondContact O-N 2.76Å
163	A	98.3	Very high	97.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.9	-50.6	177.1	0	0	0	0	0	112.4	F68 Y101 L133 L159 G160 W161 M165 Q166 R167 F185	F68-A163 HydrophobicContact CD2-CB 4.26Å; F68-A163 HydrophobicContact CE2-CB 3.98Å; Y101-A163 HydrophobicContact CD1-CB 3.44Å; Y101-A163 VanDerWaalsContact CD1-CB 3.44Å; Y101-A163 HydrophobicContact CD2-CB 4.31Å; Y101-A163 HydrophobicContact CE1-CB 3.73Å; Y101-A163 WeakPolarHBondContact CE1-O 3.26Å; Y101-A163 HydrophobicContact CG-CB 3.78Å; L133-A163 HydrophobicContact CD1-CB 4.13Å; L133-A163 HydrophobicContact CD2-CB 3.8Å; L159-A163 PolarHBondContact O-N 3.48Å; G160-A163 WeakPolarHBondContact O-CB 3.43Å; G160-A163 PolarHBondContact O-N 3Å; W161-A163 VanDerWaalsContact C-N 3.29Å; W161-A163 PolarHBondContact O-N 3.39Å; A163-M165 VanDerWaalsContact C-N 3.33Å; A163-M165 PolarHBondContact O-N 2.9Å; A163-Q166 PolarHBondContact O-N 3.44Å; A163-R167 PolarHBondContact O-N 3.02Å; A163-F185 HydrophobicContact CB-CZ 3.95Å
164	L	96.6	Very high	97.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.9	-39.2	-177.3	-175.5	65.4	0	0	0	112.4	L46 G160 W161 Q166 R167 V168 L184 F185 V188	L46-L164 HydrophobicContact CD1-CD2 3.89Å; L46-L164 HydrophobicContact CD1-CG 3.98Å; G160-L164 WeakPolarHBondContact O-CB 3.16Å; G160-L164 PolarHBondContact O-N 3.34Å; W161-L164 PolarHBondContact O-N 3.05Å; L164-Q166 VanDerWaalsContact C-N 3.31Å; L164-Q166 PolarHBondContact O-N 2.93Å; L164-R167 CarbonylContact O-C 3.59Å; L164-V168 HydrophobicContact CD1-CB 4.38Å; L164-V168 HydrophobicContact CD1-CG1 4.04Å; L164-V168 HydrophobicContact CD1-CG2 4.04Å; L164-V168 VanDerWaalsContact O-CG2 3.28Å; L164-V168 WeakPolarHBondContact O-CG2 3.47Å; L164-L184 HydrophobicContact CD2-CD1 3.94Å; L164-L184 HydrophobicContact CD2-CG 4.1Å; L164-F185 HydrophobicContact CB-CE1 4.09Å; L164-F185 HydrophobicContact CB-CE2 4.48Å; L164-F185 HydrophobicContact CB-CZ 3.97Å; L164-F185 HydrophobicContact CD1-CD1 3.74Å; L164-F185 HydrophobicContact CD1-CE1 3.71Å; L164-F185 HydrophobicContact CD1-CG 4.47Å; L164-F185 HydrophobicContact CD1-CZ 4.41Å; L164-V188 HydrophobicContact CD2-CB 4.24Å; L164-V188 HydrophobicContact CD2-CG1 4.17Å
165	M	94.9	Very high	97.3	Very high	78 Å²	78	24.1 Å²	24.1	38%	0.384	12%	0.115	S	C	.	.	H	α-helix	trans	-69.1	-29.3	179	-69	-57.9	-61.8	0	0	113.1	L46 K49 W161 A163	L46-M165 HydrophobicContact CD2-SD 3.93Å; K49-M165 PolarHBondContact NZ-O 3.27Å; K49-M165 VanDerWaalsContact NZ-O 3.08Å; W161-M165 HydrophobicContact CD2-CG 4.39Å; W161-M165 HydrophobicContact CG-CG 4.47Å; W161-M165 HydrophobicContact CZ2-CG 4.38Å; W161-M165 HydrophobicContact CZ2-SD 3.93Å; W161-M165 WeakPolarHBondContact O-CB 3.24Å; W161-M165 VanDerWaalsContact O-CG 3.25Å; W161-M165 WeakPolarHBondContact O-CG 3.44Å; W161-M165 PolarHBondContact O-N 3.41Å; A163-M165 VanDerWaalsContact C-N 3.33Å; A163-M165 PolarHBondContact O-N 2.9Å
166	Q	94.9	Very high	97.2	Very high	90 Å²	90	27.2 Å²	27.2	42%	0.421	13%	0.13	S	C	.	.	H	α-helix	trans	-78.6	-48.3	177.9	-72.2	-170.4	67.7	0	0	111.8	V131 E162 A163 L164	V131-Q166 HydrophobicContact CG1-CB 3.68Å; V131-Q166 HydrophobicContact CG1-CG 4.31Å; E162-Q166 WeakPolarHBondContact O-CG 3.48Å; E162-Q166 PolarHBondContact O-N 2.76Å; A163-Q166 PolarHBondContact O-N 3.44Å; L164-Q166 VanDerWaalsContact C-N 3.31Å; L164-Q166 PolarHBondContact O-N 2.93Å
167	R	94.9	Very high	97	Very high	27 Å²	27	27.7 Å²	27.7	10%	0.102	14%	0.135	C	C	.	.			trans	-145.7	127	-179.7	-176.5	66.9	166.6	163	-1.5	109.2	V53 V99 Y101 V131 A163 L164	V53-R167 VanDerWaalsContact CB-NH1 3.32Å; V99-R167 HydrophobicContact CG1-CG 4.3Å; V99-R167 HydrophobicContact CG2-CG 4.13Å; Y101-R167 HydrophobicContact CE1-CB 4.11Å; Y101-R167 PolarHBondContact OH-O 3.26Å; V131-R167 HydrophobicContact CG2-CB 3.94Å; A163-R167 PolarHBondContact O-N 3.02Å; L164-R167 CarbonylContact O-C 3.59Å
168	V	95.5	Very high	96.9	Very high	8 Å²	8	26.4 Å²	26.4	5%	0.048	13%	0.126	C	C	.	.			trans	-101.5	119.1	175	-174.7	0	0	0	0	108.5	L46 K50 L164 G189	L46-V168 HydrophobicContact CB-CG2 3.99Å; L46-V168 HydrophobicContact CD2-CG2 3.78Å; L46-V168 HydrophobicContact CG-CG2 4.31Å; K50-V168 HydrophobicContact CB-CB 4.34Å; K50-V168 HydrophobicContact CD-CB 4.45Å; K50-V168 HydrophobicContact CD-CG1 4.04Å; L164-V168 HydrophobicContact CD1-CB 4.38Å; L164-V168 HydrophobicContact CD1-CG1 4.04Å; L164-V168 HydrophobicContact CD1-CG2 4.04Å; L164-V168 VanDerWaalsContact O-CG2 3.28Å; L164-V168 WeakPolarHBondContact O-CG2 3.47Å; V168-G189 WeakPolarHBondContact CG1-O 3.17Å
169	P	96.1	Very high	96.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.103	C	C	.	.			trans	-89.1	170.2	179.7	35.6	-32.7	0	0	0	112.4	K50 V64 A66 Y101 V171 F185 C191	K50-P169 PolarHBondContact NZ-O 2.88Å; K50-P169 VanDerWaalsContact NZ-O 3.15Å; V64-P169 HydrophobicContact CG1-CB 4.14Å; A66-P169 HydrophobicContact CB-CB 3.6Å; A66-P169 HydrophobicContact CB-CG 3.84Å; Y101-P169 WeakPolarHBondContact OH-CD 3.23Å; P169-V171 WeakPolarHBondContact CB-O 3.47Å; P169-F185 HydrophobicContact CG-CD1 4.18Å; P169-F185 HydrophobicContact CG-CE1 4.25Å; P169-C191 PolarHBondContact O-SG 2.97Å
170	D	95.7	Very high	96.8	Very high	32 Å²	32	22.6 Å²	22.6	17%	0.171	11%	0.106	C	C	.	.	S	Bend	trans	-81.5	-43.6	163.9	-65	-73.1	0	0	0	110.8	K50 T63 V64 C191 R192	K50-D170 VanDerWaalsContact CE-CG 3.45Å; K50-D170 WeakPolarHBondContact CE-OD1 3.19Å; K50-D170 IonicContact NZ-OD1 2.63Å; K50-D170 PolarHBondContact NZ-OD1 2.85Å; T63-D170 HydrophobicContact CG2-CB 3.9Å; V64-D170 PolarHBondContact N-OD2 3.41Å; V64-D170 WeakPolarHBondContact O-CB 3.4Å; V64-D170 PolarHBondContact O-N 3.2Å; D170-C191 WeakPolarHBondContact O-CA 3.35Å; D170-R192 PolarHBondContact O-N 3.18Å
171	V	97.9	Very high	96.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.8	179.3	-175.8	0	0	0	0	108.9	T63 V64 V65 A66 P169 I173 R192 M487 L490 L491	T63-V171 HydrophobicContact CG2-CG2 4.48Å; V64-V171 PolarHBondContact O-N 3.35Å; V65-V171 WeakPolarHBondContact CA-O 3.38Å; V65-V171 HydrophobicContact CG1-CB 4.22Å; V65-V171 HydrophobicContact CG1-CG1 4.31Å; V65-V171 HydrophobicContact CG2-CB 4.24Å; A66-V171 PolarHBondContact N-O 3.35Å; P169-V171 WeakPolarHBondContact CB-O 3.47Å; V171-I173 HydrophobicContact CG1-CG1 4.2Å; V171-R192 CarbonylContact C-O 3.4Å; V171-R192 WeakPolarHBondContact CA-O 3.37Å; V171-M487 HydrophobicContact CG1-CE 3.97Å; V171-L490 HydrophobicContact CG1-CB 3.91Å; V171-L490 HydrophobicContact CG1-CD1 4.01Å; V171-L490 HydrophobicContact CG2-CB 4.48Å; V171-L490 WeakPolarHBondContact CG2-O 3.4Å; V171-L491 HydrophobicContact CG2-CD2 3.79Å
172	Y	98.5	Very high	96.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	132.6	177	171.6	-94.7	0	0	0	109.5	A66 F68 Y101 D174 T181 L182 F185 R192 V193 G194	A66-Y172 CarbonylContact O-C 3.49Å; A66-Y172 WeakPolarHBondContact O-CA 3.47Å; F68-Y172 HydrophobicContact CB-CE2 3.55Å; F68-Y172 WeakPolarHBondContact CB-OH 3.46Å; F68-Y172 HydrophobicContact CD2-CE2 4.13Å; F68-Y172 HydrophobicContact CG-CE2 4.13Å; F68-Y172 WeakPolarHBondContact CG-OH 3.41Å; Y101-Y172 HydrophobicContact CE2-CD2 4.31Å; Y101-Y172 HydrophobicContact CE2-CE2 4.37Å; Y172-D174 HydrophobicContact CE1-CB 4.18Å; Y172-T181 WeakPolarHBondContact OH-CB 3.31Å; Y172-T181 PolarHBondContact OH-OG1 3.33Å; Y172-L182 HydrophobicContact CD1-CD2 4.29Å; Y172-L182 HydrophobicContact CE1-CD2 4.01Å; Y172-F185 HydrophobicContact CD1-CB 3.88Å; Y172-F185 HydrophobicContact CD1-CD2 4.31Å; Y172-F185 AromaticContact CD1-CG 4Å; Y172-F185 HydrophobicContact CD1-CG 4Å; Y172-F185 HydrophobicContact CD2-CB 4.13Å; Y172-F185 AromaticContact CD2-CD1 3.25Å; Y172-F185 HydrophobicContact CD2-CD1 3.25Å; Y172-F185 AromaticContact CD2-CD2 3.76Å; Y172-F185 HydrophobicContact CD2-CD2 3.76Å; Y172-F185 AromaticContact CD2-CE1 3.44Å; Y172-F185 HydrophobicContact CD2-CE1 3.44Å; Y172-F185 VanDerWaalsContact CD2-CE1 3.44Å; Y172-F185 AromaticContact CD2-CE2 3.93Å; Y172-F185 HydrophobicContact CD2-CE2 3.93Å; Y172-F185 AromaticContact CD2-CG 3.43Å; Y172-F185 HydrophobicContact CD2-CG 3.43Å; Y172-F185 VanDerWaalsContact CD2-CG 3.43Å; Y172-F185 AromaticContact CD2-CZ 3.77Å; Y172-F185 HydrophobicContact CD2-CZ 3.77Å; Y172-F185 HydrophobicContact CE1-CB 4.35Å; Y172-F185 HydrophobicContact CE1-CD2 4.05Å; Y172-F185 HydrophobicContact CE1-CG 4.21Å; Y172-F185 AromaticContact CE2-CD1 3.77Å; Y172-F185 HydrophobicContact CE2-CD1 3.77Å; Y172-F185 AromaticContact CE2-CD2 3.44Å; Y172-F185 HydrophobicContact CE2-CD2 3.44Å; Y172-F185 VanDerWaalsContact CE2-CD2 3.44Å; Y172-F185 AromaticContact CE2-CE1 3.69Å; Y172-F185 HydrophobicContact CE2-CE1 3.69Å; Y172-F185 AromaticContact CE2-CE2 3.35Å; Y172-F185 HydrophobicContact CE2-CE2 3.35Å; Y172-F185 AromaticContact CE2-CG 3.66Å; Y172-F185 HydrophobicContact CE2-CG 3.66Å; Y172-F185 AromaticContact CE2-CZ 3.48Å; Y172-F185 HydrophobicContact CE2-CZ 3.48Å; Y172-F185 VanDerWaalsContact CE2-CZ 3.48Å; Y172-F185 HydrophobicContact CG-CB 3.74Å; Y172-F185 AromaticContact CG-CD1 3.68Å; Y172-F185 HydrophobicContact CG-CD1 3.68Å; Y172-F185 HydrophobicContact CG-CD2 4.16Å; Y172-F185 HydrophobicContact CG-CE1 4.31Å; Y172-F185 AromaticContact CG-CG 3.59Å; Y172-F185 HydrophobicContact CG-CG 3.59Å; Y172-F185 AromaticContact CZ-CD2 3.61Å; Y172-F185 AromaticContact CZ-CE2 3.79Å; Y172-R192 PolarHBondContact N-O 3.02Å; Y172-V193 HydrophobicContact CD1-CB 4.4Å; Y172-V193 HydrophobicContact CD1-CG1 3.96Å; Y172-V193 HydrophobicContact CG-CG1 4.47Å; Y172-V193 CarbonylContact O-C 3.56Å; Y172-V193 WeakPolarHBondContact O-CA 3.49Å; Y172-G194 PolarHBondContact O-N 2.98Å
173	I	98.5	Very high	96.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	114.5	179.1	-54.1	167.3	0	0	0	108.7	V65 A66 F67 F68 V171 S175 G194 M487	V65-I173 HydrophobicContact CG1-CD1 3.89Å; A66-I173 PolarHBondContact O-N 2.99Å; F67-I173 CarbonylContact C-O 3.48Å; F67-I173 WeakPolarHBondContact CA-O 3.46Å; F67-I173 HydrophobicContact CD1-CB 3.94Å; F67-I173 HydrophobicContact CD1-CD1 4.27Å; F67-I173 HydrophobicContact CD1-CG2 3.91Å; F67-I173 HydrophobicContact CD2-CD1 4.39Å; F67-I173 HydrophobicContact CE1-CB 4.07Å; F67-I173 HydrophobicContact CE1-CD1 3.7Å; F67-I173 HydrophobicContact CE1-CG2 3.82Å; F67-I173 HydrophobicContact CE2-CD1 3.82Å; F67-I173 HydrophobicContact CG-CB 4.39Å; F67-I173 HydrophobicContact CZ-CD1 3.45Å; F67-I173 VanDerWaalsContact CZ-CD1 3.45Å; F68-I173 PolarHBondContact N-O 3.35Å; V171-I173 HydrophobicContact CG1-CG1 4.2Å; I173-S175 PolarHBondContact O-N 3.16Å; I173-G194 WeakPolarHBondContact CA-O 3.39Å; I173-M487 HydrophobicContact CD1-CE 3.53Å; I173-M487 HydrophobicContact CD1-SD 3.7Å; I173-M487 HydrophobicContact CG1-CE 4.27Å; I173-M487 HydrophobicContact CG1-SD 4.37Å
174	D	98.3	Very high	96.8	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	118.4	163.8	173.4	23.1	0	0	0	108.8	Y172 M176 G177 Y178 A179 L182 G194 S195 Y196	Y172-D174 HydrophobicContact CE1-CB 4.18Å; D174-M176 PolarHBondContact OD1-N 3.35Å; D174-M176 VanDerWaalsContact OD1-N 3.08Å; D174-G177 PolarHBondContact OD1-N 3.09Å; D174-G177 WeakPolarHBondContact OD2-CA 3.42Å; D174-G177 PolarHBondContact OD2-N 3.13Å; D174-Y178 VanDerWaalsContact CG-N 3.32Å; D174-Y178 PolarHBondContact OD1-N 3.14Å; D174-Y178 VanDerWaalsContact OD1-N 3.14Å; D174-Y178 WeakPolarHBondContact OD2-CA 3.15Å; D174-Y178 PolarHBondContact OD2-N 3.17Å; D174-A179 PolarHBondContact OD2-N 3.27Å; D174-L182 HydrophobicContact CB-CD2 4.18Å; D174-G194 PolarHBondContact N-O 3.41Å; D174-S195 CarbonylContact O-C 3.54Å; D174-S195 VanDerWaalsContact O-CA 3.3Å; D174-S195 WeakPolarHBondContact O-CA 3.22Å; D174-Y196 PolarHBondContact O-N 3.02Å
175	S	97.1	Very high	96.8	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.014	10%	0.098	C	C	.	.			trans	-119.9	15.4	-178.1	54.2	0	0	0	0	112.8	F68 H69 I173 H198	F68-S175 PolarHBondContact O-N 3.17Å; F68-S175 PolarHBondContact O-OG 3.11Å; H69-S175 PolarHBondContact CE1-O 2.85Å; H69-S175 VanDerWaalsContact CE1-O 3.31Å; H69-S175 PolarHBondContact ND1-O 3.04Å; H69-S175 PolarHBondContact ND1-OG 2.67Å; I173-S175 PolarHBondContact O-N 3.16Å; S175-H198 PolarHBondContact O-CD2 2.81Å; S175-H198 PolarHBondContact O-NE2 2.83Å
176	M	94.4	Very high	96.9	Very high	66 Å²	66	18 Å²	18	33%	0.325	9%	0.089	S	C	.	.	S	Bend	trans	-132.7	-11.1	-178.4	-160.8	63.9	-179.9	0	0	113.2	Y71 D174 Y178	Y71-M176 HydrophobicContact CD2-CE 4.27Å; D174-M176 PolarHBondContact OD1-N 3.35Å; D174-M176 VanDerWaalsContact OD1-N 3.08Å; M176-Y178 HydrophobicContact CB-CD2 3.95Å; M176-Y178 HydrophobicContact CB-CE2 3.93Å; M176-Y178 HydrophobicContact CG-CD2 4.34Å; M176-Y178 HydrophobicContact CG-CE2 3.8Å
177	G	94.6	Very high	97	Very high	10 Å²	10	20.3 Å²	20.3	10%	0.103	10%	0.095	C	C	.	.	S	Bend	trans	98.4	26.4	176.6	0	0	0	0	0	114.2	D174 A179 T201	D174-G177 PolarHBondContact OD1-N 3.09Å; D174-G177 WeakPolarHBondContact OD2-CA 3.42Å; D174-G177 PolarHBondContact OD2-N 3.13Å; G177-A179 VanDerWaalsContact C-N 3.33Å; G177-A179 PolarHBondContact O-N 3.22Å; G177-T201 PolarHBondContact O-OG1 2.64Å
178	Y	96.9	Very high	97	Very high	33 Å²	33	19.6 Å²	19.6	13%	0.129	9%	0.094	C	C	.	.			trans	-90.7	57.8	172.1	-65.3	-66.3	0	0	0	112.1	F68 P70 Y71 V139 D174 M176 F180 T181	F68-Y178 AromaticContact CD1-CD2 3.92Å; F68-Y178 HydrophobicContact CD1-CD2 3.92Å; F68-Y178 HydrophobicContact CD1-CG 4.43Å; F68-Y178 AromaticContact CE1-CD2 3.63Å; F68-Y178 HydrophobicContact CE1-CD2 3.63Å; F68-Y178 HydrophobicContact CE1-CE2 4.43Å; F68-Y178 AromaticContact CE1-CG 3.96Å; F68-Y178 HydrophobicContact CE1-CG 3.96Å; P70-Y178 HydrophobicContact CG-CD2 4.19Å; P70-Y178 HydrophobicContact CG-CE2 3.83Å; Y71-Y178 WeakPolarHBondContact CE2-OH 3.4Å; V139-Y178 HydrophobicContact CB-CE1 3.7Å; V139-Y178 HydrophobicContact CG1-CD1 4.23Å; V139-Y178 HydrophobicContact CG1-CE1 3.79Å; V139-Y178 HydrophobicContact CG2-CE1 4.19Å; D174-Y178 VanDerWaalsContact CG-N 3.32Å; D174-Y178 PolarHBondContact OD1-N 3.14Å; D174-Y178 VanDerWaalsContact OD1-N 3.14Å; D174-Y178 WeakPolarHBondContact OD2-CA 3.15Å; D174-Y178 PolarHBondContact OD2-N 3.17Å; M176-Y178 HydrophobicContact CB-CD2 3.95Å; M176-Y178 HydrophobicContact CB-CE2 3.93Å; M176-Y178 HydrophobicContact CG-CD2 4.34Å; M176-Y178 HydrophobicContact CG-CE2 3.8Å; Y178-F180 PolarHBondContact O-N 3.37Å; Y178-T181 WeakPolarHBondContact O-CB 3Å; Y178-T181 WeakPolarHBondContact O-CG2 3.45Å; Y178-T181 PolarHBondContact O-N 3.35Å; Y178-T181 PolarHBondContact O-OG1 3.48Å
179	A	97.5	Very high	96.9	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.008	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-56.2	-25.5	-173.6	0	0	0	0	0	114.7	D174 G177 T181 L182 Y244 V247 W269	D174-A179 PolarHBondContact OD2-N 3.27Å; G177-A179 VanDerWaalsContact C-N 3.33Å; G177-A179 PolarHBondContact O-N 3.22Å; A179-T181 PolarHBondContact O-N 3.34Å; A179-T181 VanDerWaalsContact O-N 3.13Å; A179-L182 HydrophobicContact CB-CD1 3.87Å; A179-L182 VanDerWaalsContact O-CB 3.29Å; A179-L182 WeakPolarHBondContact O-CB 3.4Å; A179-L182 VanDerWaalsContact O-CD1 3.31Å; A179-L182 WeakPolarHBondContact O-CD1 3.37Å; A179-L182 WeakPolarHBondContact O-CG 3.47Å; A179-L182 PolarHBondContact O-N 3Å; A179-Y244 HydrophobicContact CB-CD2 4.25Å; A179-Y244 HydrophobicContact CB-CE2 3.65Å; A179-V247 HydrophobicContact CB-CG2 4.33Å; A179-W269 HydrophobicContact CB-CH2 3.95Å; A179-W269 HydrophobicContact CB-CZ2 3.57Å
180	F	98.2	Very high	96.9	Very high	15 Å²	15	20.3 Å²	20.3	7%	0.066	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-65.3	-13.3	176.6	-76.6	-102.6	0	0	0	113.6	S153 I157 Y178 F240 V243 Y244 V247	S153-F180 VanDerWaalsContact CB-CD2 3.47Å; S153-F180 WeakPolarHBondContact OG-CD2 3.43Å; S153-F180 VanDerWaalsContact OG-CE2 3.22Å; S153-F180 WeakPolarHBondContact OG-CE2 3.49Å; I157-F180 HydrophobicContact CD1-CB 4.38Å; I157-F180 HydrophobicContact CD1-CD1 4.29Å; I157-F180 HydrophobicContact CG1-CB 3.92Å; Y178-F180 PolarHBondContact O-N 3.37Å; F180-F240 HydrophobicContact CE2-CE2 4.07Å; F180-F240 AromaticContact CE2-CZ 3.87Å; F180-F240 HydrophobicContact CE2-CZ 3.87Å; F180-F240 AromaticContact CZ-CE2 3.82Å; F180-F240 HydrophobicContact CZ-CE2 3.82Å; F180-F240 HydrophobicContact CZ-CZ 4.06Å; F180-V243 HydrophobicContact CE1-CG1 3.68Å; F180-V243 HydrophobicContact CZ-CG1 4.03Å; F180-Y244 AromaticContact CE2-CD2 3.92Å; F180-Y244 HydrophobicContact CE2-CD2 3.92Å; F180-V247 HydrophobicContact CD1-CG1 4.06Å; F180-V247 HydrophobicContact CD1-CG2 4.28Å; F180-V247 HydrophobicContact CD2-CG2 4.02Å; F180-V247 HydrophobicContact CE1-CG1 4.23Å; F180-V247 HydrophobicContact CE1-CG2 4.38Å; F180-V247 HydrophobicContact CE2-CG2 4.1Å; F180-V247 HydrophobicContact CG-CG2 4.11Å; F180-V247 HydrophobicContact CZ-CG2 4.28Å
181	T	98.3	Very high	96.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-76.5	-22.6	170.3	61.2	0	0	0	0	113.1	F68 S156 Y172 Y178 A179 L184 F185	F68-T181 HydrophobicContact CD1-CG2 4.49Å; F68-T181 HydrophobicContact CE1-CG2 4.07Å; F68-T181 HydrophobicContact CZ-CG2 4.09Å; S156-T181 WeakPolarHBondContact O-CG2 3.46Å; Y172-T181 WeakPolarHBondContact OH-CB 3.31Å; Y172-T181 PolarHBondContact OH-OG1 3.33Å; Y178-T181 WeakPolarHBondContact O-CB 3Å; Y178-T181 WeakPolarHBondContact O-CG2 3.45Å; Y178-T181 PolarHBondContact O-N 3.35Å; Y178-T181 PolarHBondContact O-OG1 3.48Å; A179-T181 PolarHBondContact O-N 3.34Å; A179-T181 VanDerWaalsContact O-N 3.13Å; T181-L184 WeakPolarHBondContact O-CB 3.39Å; T181-L184 PolarHBondContact O-N 2.95Å; T181-F185 WeakPolarHBondContact O-CD2 3.22Å; T181-F185 PolarHBondContact O-N 2.89Å; T181-F185 VanDerWaalsContact O-N 3.07Å
182	L	98.4	Very high	96.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.4	-49	-172	-58.3	161.3	0	0	0	112.8	Y172 D174 A179 L184 F185 K186 V193 S195 S251 W269	Y172-L182 HydrophobicContact CD1-CD2 4.29Å; Y172-L182 HydrophobicContact CE1-CD2 4.01Å; D174-L182 HydrophobicContact CB-CD2 4.18Å; A179-L182 HydrophobicContact CB-CD1 3.87Å; A179-L182 VanDerWaalsContact O-CB 3.29Å; A179-L182 WeakPolarHBondContact O-CB 3.4Å; A179-L182 VanDerWaalsContact O-CD1 3.31Å; A179-L182 WeakPolarHBondContact O-CD1 3.37Å; A179-L182 WeakPolarHBondContact O-CG 3.47Å; A179-L182 PolarHBondContact O-N 3Å; L182-L184 PolarHBondContact O-N 2.95Å; L182-F185 PolarHBondContact O-N 2.94Å; L182-K186 WeakPolarHBondContact O-CB 3.41Å; L182-K186 PolarHBondContact O-N 2.9Å; L182-V193 HydrophobicContact CD2-CB 4.16Å; L182-S195 WeakPolarHBondContact CD2-OG 3.44Å; L182-S251 VanDerWaalsContact CD1-OG 3.31Å; L182-S251 WeakPolarHBondContact CD1-OG 3.38Å; L182-W269 HydrophobicContact CD1-CH2 4.3Å
183	P	97.8	Very high	96.9	Very high	29 Å²	29	22.9 Å²	22.9	19%	0.188	11%	0.111	C	C	.	.	H	α-helix	trans	-63	-34.6	178.9	-19.8	33	0	0	0	112	K186 Y187 V247 C250	P183-K186 PolarHBondContact O-N 3.31Å; P183-Y187 HydrophobicContact CB-CD2 3.97Å; P183-Y187 HydrophobicContact CB-CE2 4.15Å; P183-Y187 WeakPolarHBondContact O-CB 3.5Å; P183-Y187 VanDerWaalsContact O-CD2 3.25Å; P183-Y187 WeakPolarHBondContact O-CD2 3.37Å; P183-Y187 PolarHBondContact O-N 3.43Å; P183-V247 HydrophobicContact CG-CB 3.75Å; P183-V247 HydrophobicContact CG-CG1 3.9Å; P183-C250 HydrophobicContact CG-CB 4.35Å
184	L	97.1	Very high	96.8	Very high	17 Å²	17	22.9 Å²	22.9	9%	0.089	11%	0.111	C	C	.	.	I	π-helix	trans	-62.2	-52.2	177.8	171.2	64.1	0	0	0	110.9	G160 W161 L164 T181 L182 V188 G189	G160-L184 VanDerWaalsContact C-CD2 3.44Å; W161-L184 HydrophobicContact CB-CD2 4.23Å; W161-L184 HydrophobicContact CE3-CD1 3.59Å; W161-L184 HydrophobicContact CE3-CD2 4.43Å; W161-L184 HydrophobicContact CZ3-CD1 3.88Å; W161-L184 VanDerWaalsContact N-CD2 3.34Å; L164-L184 HydrophobicContact CD2-CD1 3.94Å; L164-L184 HydrophobicContact CD2-CG 4.1Å; T181-L184 WeakPolarHBondContact O-CB 3.39Å; T181-L184 PolarHBondContact O-N 2.95Å; L182-L184 PolarHBondContact O-N 2.95Å; L184-V188 HydrophobicContact CD1-CB 3.9Å; L184-V188 HydrophobicContact CD1-CG1 4.44Å; L184-V188 HydrophobicContact CD1-CG2 3.84Å; L184-V188 WeakPolarHBondContact O-CA 3.26Å; L184-V188 VanDerWaalsContact O-CB 3.27Å; L184-V188 WeakPolarHBondContact O-CB 3.14Å; L184-V188 PolarHBondContact O-N 3.26Å; L184-G189 PolarHBondContact O-N 3.23Å
185	F	97.9	Very high	96.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.111	C	C	.	.	I	π-helix	trans	-68.2	-35	179.3	-82.7	-93.9	0	0	0	112.5	Y101 A163 L164 P169 Y172 T181 L182 G189 G190 C191 V193	Y101-F185 HydrophobicContact CE2-CE1 4.12Å; Y101-F185 HydrophobicContact CE2-CZ 4.21Å; A163-F185 HydrophobicContact CB-CZ 3.95Å; L164-F185 HydrophobicContact CB-CE1 4.09Å; L164-F185 HydrophobicContact CB-CE2 4.48Å; L164-F185 HydrophobicContact CB-CZ 3.97Å; L164-F185 HydrophobicContact CD1-CD1 3.74Å; L164-F185 HydrophobicContact CD1-CE1 3.71Å; L164-F185 HydrophobicContact CD1-CG 4.47Å; L164-F185 HydrophobicContact CD1-CZ 4.41Å; P169-F185 HydrophobicContact CG-CD1 4.18Å; P169-F185 HydrophobicContact CG-CE1 4.25Å; Y172-F185 HydrophobicContact CD1-CB 3.88Å; Y172-F185 HydrophobicContact CD1-CD2 4.31Å; Y172-F185 AromaticContact CD1-CG 4Å; Y172-F185 HydrophobicContact CD1-CG 4Å; Y172-F185 HydrophobicContact CD2-CB 4.13Å; Y172-F185 AromaticContact CD2-CD1 3.25Å; Y172-F185 HydrophobicContact CD2-CD1 3.25Å; Y172-F185 AromaticContact CD2-CD2 3.76Å; Y172-F185 HydrophobicContact CD2-CD2 3.76Å; Y172-F185 AromaticContact CD2-CE1 3.44Å; Y172-F185 HydrophobicContact CD2-CE1 3.44Å; Y172-F185 VanDerWaalsContact CD2-CE1 3.44Å; Y172-F185 AromaticContact CD2-CE2 3.93Å; Y172-F185 HydrophobicContact CD2-CE2 3.93Å; Y172-F185 AromaticContact CD2-CG 3.43Å; Y172-F185 HydrophobicContact CD2-CG 3.43Å; Y172-F185 VanDerWaalsContact CD2-CG 3.43Å; Y172-F185 AromaticContact CD2-CZ 3.77Å; Y172-F185 HydrophobicContact CD2-CZ 3.77Å; Y172-F185 HydrophobicContact CE1-CB 4.35Å; Y172-F185 HydrophobicContact CE1-CD2 4.05Å; Y172-F185 HydrophobicContact CE1-CG 4.21Å; Y172-F185 AromaticContact CE2-CD1 3.77Å; Y172-F185 HydrophobicContact CE2-CD1 3.77Å; Y172-F185 AromaticContact CE2-CD2 3.44Å; Y172-F185 HydrophobicContact CE2-CD2 3.44Å; Y172-F185 VanDerWaalsContact CE2-CD2 3.44Å; Y172-F185 AromaticContact CE2-CE1 3.69Å; Y172-F185 HydrophobicContact CE2-CE1 3.69Å; Y172-F185 AromaticContact CE2-CE2 3.35Å; Y172-F185 HydrophobicContact CE2-CE2 3.35Å; Y172-F185 AromaticContact CE2-CG 3.66Å; Y172-F185 HydrophobicContact CE2-CG 3.66Å; Y172-F185 AromaticContact CE2-CZ 3.48Å; Y172-F185 HydrophobicContact CE2-CZ 3.48Å; Y172-F185 VanDerWaalsContact CE2-CZ 3.48Å; Y172-F185 HydrophobicContact CG-CB 3.74Å; Y172-F185 AromaticContact CG-CD1 3.68Å; Y172-F185 HydrophobicContact CG-CD1 3.68Å; Y172-F185 HydrophobicContact CG-CD2 4.16Å; Y172-F185 HydrophobicContact CG-CE1 4.31Å; Y172-F185 AromaticContact CG-CG 3.59Å; Y172-F185 HydrophobicContact CG-CG 3.59Å; Y172-F185 AromaticContact CZ-CD2 3.61Å; Y172-F185 AromaticContact CZ-CE2 3.79Å; T181-F185 WeakPolarHBondContact O-CD2 3.22Å; T181-F185 PolarHBondContact O-N 2.89Å; T181-F185 VanDerWaalsContact O-N 3.07Å; L182-F185 PolarHBondContact O-N 2.94Å; F185-G189 CarbonylContact O-C 3.52Å; F185-G189 VanDerWaalsContact O-C 3.26Å; F185-G189 WeakPolarHBondContact O-CA 3.38Å; F185-G189 PolarHBondContact O-N 3.15Å; F185-G190 PolarHBondContact O-N 3.47Å; F185-C191 HydrophobicContact CB-CB 4.37Å; F185-C191 WeakPolarHBondContact O-CB 3.47Å; F185-C191 PolarHBondContact O-N 2.58Å; F185-C191 PolarHBondContact O-SG 3.3Å; F185-V193 HydrophobicContact CB-CG1 3.96Å
186	K	97.2	Very high	96.9	Very high	48 Å²	48	22.9 Å²	22.9	21%	0.209	11%	0.111	C	C	.	.	I	π-helix	trans	-68.2	-60.1	177.6	-173.5	165.7	-171.2	136.1	0	112.4	L182 P183 G190 V193 C250 D252	L182-K186 WeakPolarHBondContact O-CB 3.41Å; L182-K186 PolarHBondContact O-N 2.9Å; P183-K186 PolarHBondContact O-N 3.31Å; K186-G190 WeakPolarHBondContact O-CA 3.42Å; K186-G190 PolarHBondContact O-N 3.39Å; K186-V193 HydrophobicContact CB-CG1 3.95Å; K186-V193 HydrophobicContact CB-CG2 3.97Å; K186-V193 HydrophobicContact CD-CG2 3.82Å; K186-V193 HydrophobicContact CG-CG2 4.25Å; K186-C250 HydrophobicContact CD-CB 4.22Å; K186-C250 WeakPolarHBondContact CD-O 3.45Å; K186-C250 WeakPolarHBondContact CE-O 3.23Å; K186-C250 PolarHBondContact NZ-O 2.94Å; K186-D252 IonicContact NZ-OD1 2.63Å; K186-D252 PolarHBondContact NZ-OD1 2.93Å; K186-D252 IonicContact NZ-OD2 3.38Å; K186-D252 PolarHBondContact NZ-OD2 2.69Å
187	Y	95.4	Very high	97	Very high	138 Å²	138	19.8 Å²	19.8	54%	0.541	10%	0.095	S	C	.	.	I	π-helix	trans	-85.9	-39.6	-168.7	-59	-63.5	0	0	0	112.9	R43 P183 C250	R43-Y187 PolarHBondContact NH1-O 3.39Å; P183-Y187 HydrophobicContact CB-CD2 3.97Å; P183-Y187 HydrophobicContact CB-CE2 4.15Å; P183-Y187 WeakPolarHBondContact O-CB 3.5Å; P183-Y187 VanDerWaalsContact O-CD2 3.25Å; P183-Y187 WeakPolarHBondContact O-CD2 3.37Å; P183-Y187 PolarHBondContact O-N 3.43Å; Y187-C250 HydrophobicContact CE2-CB 4.37Å
188	V	95	Very high	96.9	Very high	12 Å²	12	20.8 Å²	20.8	7%	0.073	10%	0.098	C	C	.	.	I	π-helix	trans	-87	-46.5	177.2	-170.9	0	0	0	0	110.6	L39 I42 R43 L46 W161 L164 L184	L39-V188 HydrophobicContact CD2-CG2 3.95Å; I42-V188 HydrophobicContact CG2-CG1 4.2Å; R43-V188 WeakPolarHBondContact CB-O 3.33Å; R43-V188 WeakPolarHBondContact CG-O 3.47Å; L46-V188 HydrophobicContact CD1-CG1 4.2Å; W161-V188 HydrophobicContact CZ3-CG1 4.09Å; L164-V188 HydrophobicContact CD2-CB 4.24Å; L164-V188 HydrophobicContact CD2-CG1 4.17Å; L184-V188 HydrophobicContact CD1-CB 3.9Å; L184-V188 HydrophobicContact CD1-CG1 4.44Å; L184-V188 HydrophobicContact CD1-CG2 3.84Å; L184-V188 WeakPolarHBondContact O-CA 3.26Å; L184-V188 VanDerWaalsContact O-CB 3.27Å; L184-V188 WeakPolarHBondContact O-CB 3.14Å; L184-V188 PolarHBondContact O-N 3.26Å
189	G	95.3	Very high	96.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.105	C	C	.	.	I	π-helix	trans	-72.7	-31	-179.8	0	0	0	0	0	114.2	Q47 V168 L184 F185 C191	Q47-G189 PolarHBondContact NE2-O 2.86Å; V168-G189 WeakPolarHBondContact CG1-O 3.17Å; L184-G189 PolarHBondContact O-N 3.23Å; F185-G189 CarbonylContact O-C 3.52Å; F185-G189 VanDerWaalsContact O-C 3.26Å; F185-G189 WeakPolarHBondContact O-CA 3.38Å; F185-G189 PolarHBondContact O-N 3.15Å; G189-C191 VanDerWaalsContact C-N 3.29Å
190	G	94.1	Very high	96.3	Very high	23 Å²	23	22.6 Å²	22.6	24%	0.237	10%	0.104	C	C	.	.			trans	71.3	27.9	-174.5	0	0	0	0	0	113.6	F185 K186	F185-G190 PolarHBondContact O-N 3.47Å; K186-G190 WeakPolarHBondContact O-CA 3.42Å; K186-G190 PolarHBondContact O-N 3.39Å
191	C	96.2	Very high	96	Very high	7 Å²	7	23.1 Å²	23.1	5%	0.047	11%	0.109	C	C	.	.			trans	-87.1	152.6	177.1	-49.1	0	0	0	0	110.2	P169 D170 F185 G189 V193	P169-C191 PolarHBondContact O-SG 2.97Å; D170-C191 WeakPolarHBondContact O-CA 3.35Å; F185-C191 HydrophobicContact CB-CB 4.37Å; F185-C191 WeakPolarHBondContact O-CB 3.47Å; F185-C191 PolarHBondContact O-N 2.58Å; F185-C191 PolarHBondContact O-SG 3.3Å; G189-C191 VanDerWaalsContact C-N 3.29Å; C191-V193 HydrophobicContact CB-CG1 4.36Å
192	R	97.6	Very high	95.7	Very high	79 Å²	79	23.1 Å²	23.1	30%	0.298	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	131.9	154.6	-65.9	-172.3	-80.5	-177.5	-8.1	107.8	D170 V171 Y172 D252 L490 L491 T492	D170-R192 PolarHBondContact O-N 3.18Å; V171-R192 CarbonylContact C-O 3.4Å; V171-R192 WeakPolarHBondContact CA-O 3.37Å; Y172-R192 PolarHBondContact N-O 3.02Å; R192-D252 WeakPolarHBondContact CA-OD2 3.13Å; R192-L490 HydrophobicContact CB-CD2 4.14Å; R192-L490 PolarHBondContact NE-O 3.45Å; R192-L490 PolarHBondContact NH1-O 2.86Å; R192-L490 PolarHBondContact NH2-O 3.03Å; R192-L491 PolarHBondContact NH2-O 3.47Å; R192-T492 PolarHBondContact NH1-OXT 3.26Å
193	V	98.3	Very high	95.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	124.9	-170.2	-68.1	0	0	0	0	111.6	Y172 L182 F185 K186 C191 C250 D252 I253	Y172-V193 HydrophobicContact CD1-CB 4.4Å; Y172-V193 HydrophobicContact CD1-CG1 3.96Å; Y172-V193 HydrophobicContact CG-CG1 4.47Å; Y172-V193 CarbonylContact O-C 3.56Å; Y172-V193 WeakPolarHBondContact O-CA 3.49Å; L182-V193 HydrophobicContact CD2-CB 4.16Å; F185-V193 HydrophobicContact CB-CG1 3.96Å; K186-V193 HydrophobicContact CB-CG1 3.95Å; K186-V193 HydrophobicContact CB-CG2 3.97Å; K186-V193 HydrophobicContact CD-CG2 3.82Å; K186-V193 HydrophobicContact CG-CG2 4.25Å; C191-V193 HydrophobicContact CB-CG1 4.36Å; V193-C250 WeakPolarHBondContact CG2-O 3.28Å; V193-D252 WeakPolarHBondContact CG2-OD2 3.37Å; V193-D252 PolarHBondContact N-OD2 3.4Å; V193-D252 WeakPolarHBondContact O-CB 3.29Å; V193-D252 PolarHBondContact O-N 2.95Å; V193-I253 PolarHBondContact O-N 3.41Å
194	G	98	Very high	94.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	161.9	172.7	0	0	0	0	0	111.8	Y172 I173 D174 I253	Y172-G194 PolarHBondContact O-N 2.98Å; I173-G194 WeakPolarHBondContact CA-O 3.39Å; D174-G194 PolarHBondContact N-O 3.41Å; G194-I253 CarbonylContact C-O 3.32Å; G194-I253 VanDerWaalsContact CA-O 3.25Å; G194-I253 WeakPolarHBondContact CA-O 3.16Å
195	S	98	Very high	94.1	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	139.2	170.5	-47.4	0	0	0	0	110.6	D174 L182 S251 I253 M255	D174-S195 CarbonylContact O-C 3.54Å; D174-S195 VanDerWaalsContact O-CA 3.3Å; D174-S195 WeakPolarHBondContact O-CA 3.22Å; L182-S195 WeakPolarHBondContact CD2-OG 3.44Å; S195-S251 PolarHBondContact OG-OG 3.33Å; S195-S251 VanDerWaalsContact OG-OG 3.13Å; S195-I253 PolarHBondContact N-O 3.14Å; S195-M255 PolarHBondContact O-N 2.95Å
196	Y	98.1	Very high	93.4	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.008	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	105.9	161.8	-170.2	-76.5	0	0	0	108	V81 D174 H198 M255 N257 V278 P280 F479	V81-Y196 HydrophobicContact CG1-CD1 3.86Å; V81-Y196 HydrophobicContact CG1-CD2 4.2Å; V81-Y196 HydrophobicContact CG1-CE1 3.69Å; V81-Y196 HydrophobicContact CG1-CE2 4.02Å; V81-Y196 HydrophobicContact CG1-CG 4.12Å; V81-Y196 HydrophobicContact CG2-CE1 4.39Å; D174-Y196 PolarHBondContact O-N 3.02Å; Y196-H198 AromaticContact CD1-CE1 3.4Å; Y196-H198 VanDerWaalsContact CD1-CE1 3.4Å; Y196-H198 WeakPolarHBondContact CD1-CE1 3.14Å; Y196-H198 AromaticContact CD1-ND1 3.9Å; Y196-H198 AromaticContact CD1-NE2 3.53Å; Y196-H198 AromaticContact CE1-CE1 3.21Å; Y196-H198 WeakPolarHBondContact CE1-CE1 3.48Å; Y196-H198 AromaticContact CE1-ND1 3.49Å; Y196-H198 WeakPolarHBondContact CE1-ND1 3.49Å; Y196-H198 AromaticContact CE1-NE2 3.85Å; Y196-M255 CarbonylContact C-O 3.52Å; Y196-M255 WeakPolarHBondContact CA-O 3.33Å; Y196-M255 HydrophobicContact CD2-CB 3.69Å; Y196-M255 HydrophobicContact CD2-SD 4.4Å; Y196-M255 HydrophobicContact CE2-CB 4.31Å; Y196-M255 HydrophobicContact CG-CB 4.39Å; Y196-N257 HydrophobicContact CE1-CB 4Å; Y196-V278 HydrophobicContact CE2-CB 3.95Å; Y196-V278 HydrophobicContact CE2-CG1 3.94Å; Y196-V278 WeakPolarHBondContact CE2-O 3.5Å; Y196-V278 VanDerWaalsContact CZ-O 3.31Å; Y196-V278 PolarHBondContact OH-O 3.21Å; Y196-P280 WeakPolarHBondContact OH-CA 3.39Å; Y196-F479 AromaticContact CE2-CE2 3.92Å; Y196-F479 HydrophobicContact CE2-CE2 3.92Å
197	V	97.3	Very high	92.7	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.006	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	112.8	-174.4	-173.8	0	0	0	0	109.6	P200 V254 M255 V256 N257 T261 I265 W269	V197-P200 HydrophobicContact CG1-CG 4.46Å; V197-V254 HydrophobicContact CG2-CG1 4.27Å; V197-M255 PolarHBondContact N-O 3.27Å; V197-V256 HydrophobicContact CB-CG1 4.39Å; V197-N257 PolarHBondContact O-N 3.09Å; V197-N257 PolarHBondContact O-OD1 2.75Å; V197-T261 HydrophobicContact CB-CG2 4.17Å; V197-T261 HydrophobicContact CG1-CG2 3.85Å; V197-I265 HydrophobicContact CG1-CD1 4.16Å; V197-I265 HydrophobicContact CG1-CG1 4.42Å; V197-I265 HydrophobicContact CG2-CD1 4.35Å; V197-W269 HydrophobicContact CG2-CH2 3.82Å; V197-W269 HydrophobicContact CG2-CZ3 4.22Å
198	H	93.2	Very high	92.1	Very high	32 Å²	32	20 Å²	20	15%	0.148	11%	0.107	C	C	.	.	S	Bend	trans	-80.3	-43.1	169.9	-60.2	-76.1	0	0	0	112.1	S175 Y196 N257 H399	S175-H198 PolarHBondContact O-CD2 2.81Å; S175-H198 PolarHBondContact O-NE2 2.83Å; Y196-H198 AromaticContact CD1-CE1 3.4Å; Y196-H198 VanDerWaalsContact CD1-CE1 3.4Å; Y196-H198 WeakPolarHBondContact CD1-CE1 3.14Å; Y196-H198 AromaticContact CD1-ND1 3.9Å; Y196-H198 AromaticContact CD1-NE2 3.53Å; Y196-H198 AromaticContact CE1-CE1 3.21Å; Y196-H198 WeakPolarHBondContact CE1-CE1 3.48Å; Y196-H198 AromaticContact CE1-ND1 3.49Å; Y196-H198 WeakPolarHBondContact CE1-ND1 3.49Å; Y196-H198 AromaticContact CE1-NE2 3.85Å; H198-N257 PolarHBondContact O-ND2 3.12Å; H198-N257 PolarHBondContact O-OD1 3.2Å; H198-H399 VanDerWaalsContact O-CB 3.32Å; H198-H399 WeakPolarHBondContact O-CB 3.44Å
199	Y	88.9	Confident	91.4	Very high	71 Å²	71	20.5 Å²	20.5	28%	0.278	11%	0.111	S	C	.	.	S	Bend	trans	-146.2	131.1	179.1	175.6	-112.7	0	0	0	108.8	M206 W260 H399	Y199-M206 PolarHBondContact OH-SD 3.42Å; Y199-W260 AromaticContact CD2-CH2 3.76Å; Y199-W260 HydrophobicContact CD2-CH2 3.76Å; Y199-W260 AromaticContact CD2-CZ3 3.9Å; Y199-W260 HydrophobicContact CD2-CZ3 3.9Å; Y199-W260 AromaticContact CE2-CH2 3.66Å; Y199-W260 HydrophobicContact CE2-CH2 3.66Å; Y199-W260 HydrophobicContact CE2-CZ3 4.29Å; Y199-H399 AromaticContact CD2-CD2 3.79Å; Y199-H399 AromaticContact CD2-CE1 3Å; Y199-H399 WeakPolarHBondContact CD2-CE1 3.39Å; Y199-H399 AromaticContact CD2-CG 3.82Å; Y199-H399 AromaticContact CD2-ND1 3.34Å; Y199-H399 VanDerWaalsContact CD2-ND1 3.34Å; Y199-H399 WeakPolarHBondContact CD2-ND1 3.36Å; Y199-H399 AromaticContact CD2-NE2 3.29Å; Y199-H399 VanDerWaalsContact CD2-NE2 3.29Å; Y199-H399 WeakPolarHBondContact CD2-NE2 3.48Å; Y199-H399 AromaticContact CE2-CE1 3.31Å; Y199-H399 WeakPolarHBondContact CE2-CE1 3.25Å; Y199-H399 AromaticContact CE2-ND1 3.88Å; Y199-H399 AromaticContact CE2-NE2 3.89Å; Y199-H399 AromaticContact CG-CE1 3.86Å; Y199-H399 AromaticContact CG-NE2 3.67Å
200	P	92.1	Very high	90.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.111	C	C	.	.			trans	-65.6	138	173.1	-20.6	33.7	0	0	0	111.4	V197 I202 Y244 T261 H264 I265	V197-P200 HydrophobicContact CG1-CG 4.46Å; P200-I202 VanDerWaalsContact CB-O 3.27Å; P200-I202 WeakPolarHBondContact CB-O 3.49Å; P200-I202 PolarHBondContact O-N 2.82Å; P200-Y244 WeakPolarHBondContact CA-OH 3.39Å; P200-Y244 HydrophobicContact CB-CE1 4.17Å; P200-T261 HydrophobicContact CG-CG2 4.2Å; P200-H264 HydrophobicContact CG-CB 3.8Å; P200-I265 HydrophobicContact CB-CD1 4.28Å; P200-I265 HydrophobicContact CG-CD1 4.17Å; P200-I265 HydrophobicContact CG-CG1 4.42Å
201	T	91.9	Very high	89.7	Confident	26 Å²	26	25.9 Å²	25.9	16%	0.16	13%	0.128	C	C	.	.	S	Bend	trans	-53.8	-33.6	177.8	-47.5	0	0	0	0	112.4	L149 G177 F240 Y244	L149-T201 HydrophobicContact CD2-CG2 4.37Å; L149-T201 WeakPolarHBondContact CD2-O 3.41Å; G177-T201 PolarHBondContact O-OG1 2.64Å; T201-F240 HydrophobicContact CG2-CE1 4.06Å; T201-F240 HydrophobicContact CG2-CZ 3.89Å; T201-Y244 PolarHBondContact N-OH 2.73Å; T201-Y244 VanDerWaalsContact OG1-CE2 3.24Å; T201-Y244 WeakPolarHBondContact OG1-CE2 3.48Å
202	I	91.3	Very high	88.9	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-134.8	139.4	166.9	-173.7	164.7	0	0	0	108.3	L149 P200 M206 L207 Y237 F240 A241 Y244 L268	L149-I202 HydrophobicContact CD1-CB 4.47Å; L149-I202 HydrophobicContact CD1-CD1 4.44Å; P200-I202 VanDerWaalsContact CB-O 3.27Å; P200-I202 WeakPolarHBondContact CB-O 3.49Å; P200-I202 PolarHBondContact O-N 2.82Å; I202-M206 HydrophobicContact CG1-CB 4.44Å; I202-M206 HydrophobicContact CG1-SD 4.34Å; I202-L207 HydrophobicContact CD1-CD2 4.49Å; I202-Y237 HydrophobicContact CD1-CD1 4.43Å; I202-Y237 HydrophobicContact CD1-CD2 4.04Å; I202-Y237 HydrophobicContact CD1-CG 3.89Å; I202-F240 HydrophobicContact CB-CD1 3.97Å; I202-F240 HydrophobicContact CB-CE1 3.94Å; I202-F240 HydrophobicContact CD1-CD1 3.93Å; I202-F240 HydrophobicContact CG2-CD1 3.77Å; I202-F240 HydrophobicContact CG2-CE1 3.81Å; I202-A241 HydrophobicContact CD1-CB 4.33Å; I202-A241 HydrophobicContact CG2-CB 4.27Å; I202-Y244 HydrophobicContact CG2-CD1 3.54Å; I202-Y244 HydrophobicContact CG2-CE1 4.14Å; I202-Y244 HydrophobicContact CG2-CG 4.03Å; I202-L268 WeakPolarHBondContact O-CD1 3.42Å
203	S	88.9	Confident	87.9	Confident	3 Å²	3	30.4 Å²	30.4	2%	0.021	15%	0.154	C	C	.	.			trans	-114	161.1	177.3	71.3	0	0	0	0	111.8	D205 M206 L207	S203-D205 PolarHBondContact O-N 2.84Å; S203-M206 WeakPolarHBondContact O-CB 3.14Å; S203-M206 PolarHBondContact O-N 3.49Å; S203-M206 VanDerWaalsContact O-N 3.17Å; S203-M206 WeakPolarHBondContact OG-CG 3.37Å; S203-M206 PolarHBondContact OG-N 3.39Å; S203-M206 VanDerWaalsContact OG-N 3.16Å; S203-L207 PolarHBondContact O-N 3.14Å
204	T	86.5	Confident	86.7	Confident	47 Å²	47	34.3 Å²	34.3	29%	0.288	18%	0.175	S	C	.	.	H	α-helix	trans	-66.4	-23.6	173.2	65	0	0	0	0	112.1	L207 S208 H264 L268	T204-L207 WeakPolarHBondContact O-CB 3.08Å; T204-L207 PolarHBondContact O-N 2.92Å; T204-S208 PolarHBondContact O-N 3.43Å; T204-H264 PolarHBondContact N-ND1 3.07Å; T204-H264 PolarHBondContact OG1-CE1 3.39Å; T204-H264 PolarHBondContact OG1-ND1 2.73Å; T204-L268 HydrophobicContact CG2-CD2 4.4Å; T204-L268 HydrophobicContact CG2-CG 4.35Å
205	D	84	Confident	85.2	Confident	35 Å²	35	38.7 Å²	38.7	19%	0.187	20%	0.204	C	C	.	.	H	α-helix	trans	-68.5	-37.7	172.3	-63.5	-40.6	0	0	0	111.7	S203 L207 S208 V209 W260 H264 W396 N397	S203-D205 PolarHBondContact O-N 2.84Å; D205-L207 VanDerWaalsContact C-N 3.28Å; D205-L207 PolarHBondContact O-N 3.36Å; D205-S208 WeakPolarHBondContact CA-OG 3.44Å; D205-S208 PolarHBondContact O-N 3.29Å; D205-S208 PolarHBondContact O-OG 2.98Å; D205-V209 VanDerWaalsContact O-CG2 3.27Å; D205-V209 WeakPolarHBondContact O-CG2 3.32Å; D205-V209 PolarHBondContact O-N 3.22Å; D205-W260 WeakPolarHBondContact OD2-CZ2 3.27Å; D205-W260 PolarHBondContact OD2-NE1 3.24Å; D205-W260 VanDerWaalsContact OD2-NE1 3.09Å; D205-H264 IonicContact OD1-CE1 3.93Å; D205-H264 IonicContact OD2-CE1 2.84Å; D205-H264 PolarHBondContact OD2-CE1 3.42Å; D205-H264 IonicContact OD2-NE2 3.01Å; D205-H264 PolarHBondContact OD2-NE2 3.23Å; D205-W396 HydrophobicContact CB-CH2 4.39Å; D205-N397 PolarHBondContact OD2-ND2 3.11Å
206	M	83.7	Confident	84.1	Confident	18 Å²	18	40.7 Å²	40.7	9%	0.089	22%	0.224	C	C	.	.	H	α-helix	trans	-63.2	-37.1	173.3	-70.5	175.5	69.7	0	0	111.7	L149 Y199 I202 S203 V210 Y237	L149-M206 HydrophobicContact CD1-CE 3.92Å; Y199-M206 PolarHBondContact OH-SD 3.42Å; I202-M206 HydrophobicContact CG1-CB 4.44Å; I202-M206 HydrophobicContact CG1-SD 4.34Å; S203-M206 WeakPolarHBondContact O-CB 3.14Å; S203-M206 PolarHBondContact O-N 3.49Å; S203-M206 VanDerWaalsContact O-N 3.17Å; S203-M206 WeakPolarHBondContact OG-CG 3.37Å; S203-M206 PolarHBondContact OG-N 3.39Å; S203-M206 VanDerWaalsContact OG-N 3.16Å; M206-V210 WeakPolarHBondContact O-CG2 3.41Å; M206-V210 PolarHBondContact O-N 3.41Å; M206-Y237 HydrophobicContact CB-CE2 4.15Å; M206-Y237 HydrophobicContact CE-CE2 4Å
207	L	83.6	Confident	82.5	Confident	18 Å²	18	47.5 Å²	47.5	9%	0.094	26%	0.255	C	S	.	.	H	α-helix	trans	-64.5	-44.2	174.5	-67.5	169.7	0	0	0	111.3	I202 S203 T204 D205 V210 K211 L234 Y237 Y238 A241	I202-L207 HydrophobicContact CD1-CD2 4.49Å; S203-L207 PolarHBondContact O-N 3.14Å; T204-L207 WeakPolarHBondContact O-CB 3.08Å; T204-L207 PolarHBondContact O-N 2.92Å; D205-L207 VanDerWaalsContact C-N 3.28Å; D205-L207 PolarHBondContact O-N 3.36Å; L207-V210 PolarHBondContact O-N 3.35Å; L207-K211 VanDerWaalsContact O-CB 3.26Å; L207-K211 WeakPolarHBondContact O-CB 3.4Å; L207-K211 PolarHBondContact O-N 2.96Å; L207-L234 HydrophobicContact CD2-CD1 4.44Å; L207-Y237 HydrophobicContact CD2-CD2 4.38Å; L207-Y237 HydrophobicContact CD2-CG 4.48Å; L207-Y238 HydrophobicContact CD1-CD1 4.34Å; L207-Y238 HydrophobicContact CD1-CE1 4.09Å; L207-Y238 HydrophobicContact CD2-CD1 4.06Å; L207-Y238 HydrophobicContact CD2-CE1 4.12Å; L207-Y238 HydrophobicContact CD2-CG 4.39Å; L207-A241 HydrophobicContact CD1-CB 4.5Å
208	S	82.4	Confident	81.1	Confident	46 Å²	46	51.5 Å²	51.5	32%	0.322	28%	0.276	S	S	.	.	H	α-helix	trans	-67	-40.6	-179.9	71.9	0	0	0	0	112.2	T204 D205 V210 K211 N212	T204-S208 PolarHBondContact O-N 3.43Å; D205-S208 WeakPolarHBondContact CA-OG 3.44Å; D205-S208 PolarHBondContact O-N 3.29Å; D205-S208 PolarHBondContact O-OG 2.98Å; S208-V210 PolarHBondContact O-N 2.91Å; S208-K211 PolarHBondContact O-N 2.84Å; S208-N212 VanDerWaalsContact O-CB 3.32Å; S208-N212 WeakPolarHBondContact O-CB 3.33Å; S208-N212 VanDerWaalsContact O-CG 3.25Å; S208-N212 PolarHBondContact O-N 2.88Å; S208-N212 PolarHBondContact O-ND2 3.49Å
209	V	80.9	Confident	80.3	Confident	23 Å²	23	50 Å²	50	14%	0.139	27%	0.269	C	S	.	.	H	α-helix	trans	-59.1	-45.5	175.7	167.7	0	0	0	0	111.8	D205 Q213 N214 N219 W396	D205-V209 VanDerWaalsContact O-CG2 3.27Å; D205-V209 WeakPolarHBondContact O-CG2 3.32Å; D205-V209 PolarHBondContact O-N 3.22Å; V209-Q213 PolarHBondContact O-N 3.39Å; V209-N214 HydrophobicContact CG1-CB 4.23Å; V209-N214 WeakPolarHBondContact CG1-O 3.21Å; V209-N214 PolarHBondContact O-N 3.5Å; V209-N219 HydrophobicContact CG1-CB 3.9Å; V209-W396 HydrophobicContact CG2-CH2 3.66Å; V209-W396 HydrophobicContact CG2-CZ3 4.14Å
210	V	77.2	Confident	79.6	Confident	3 Å²	3	48.6 Å²	48.6	2%	0.018	27%	0.272	C	S	.	.	H	α-helix	trans	-69.9	-41.7	178.3	176.8	0	0	0	0	111	M206 L207 S208 N212 Q213 K233 L234 Y237	M206-V210 WeakPolarHBondContact O-CG2 3.41Å; M206-V210 PolarHBondContact O-N 3.41Å; L207-V210 PolarHBondContact O-N 3.35Å; S208-V210 PolarHBondContact O-N 2.91Å; V210-N212 VanDerWaalsContact C-N 3.3Å; V210-N212 PolarHBondContact O-N 3.49Å; V210-Q213 PolarHBondContact O-N 3.29Å; V210-K233 HydrophobicContact CG1-CB 4.1Å; V210-K233 HydrophobicContact CG1-CD 4.12Å; V210-K233 HydrophobicContact CG1-CG 3.99Å; V210-K233 HydrophobicContact CG2-CD 3.98Å; V210-K233 HydrophobicContact CG2-CG 4.33Å; V210-L234 HydrophobicContact CG1-CB 4.03Å; V210-L234 HydrophobicContact CG1-CD1 4.38Å; V210-Y237 HydrophobicContact CG2-CD2 3.88Å; V210-Y237 HydrophobicContact CG2-CE2 3.59Å
211	K	75.4	Confident	78.5	Confident	133 Å²	133	50.7 Å²	50.7	58%	0.578	29%	0.289	S	S	*	.	H	α-helix	trans	-59.5	-41.4	176.9	-177.7	-178.6	176.2	-175.6	0	111.9	L207 S208 Q213 L234	L207-K211 VanDerWaalsContact O-CB 3.26Å; L207-K211 WeakPolarHBondContact O-CB 3.4Å; L207-K211 PolarHBondContact O-N 2.96Å; S208-K211 PolarHBondContact O-N 2.84Å; K211-Q213 VanDerWaalsContact C-N 3.29Å; K211-Q213 PolarHBondContact O-N 3.23Å; K211-L234 HydrophobicContact CB-CD1 4.26Å; K211-L234 HydrophobicContact CB-CD2 4.29Å; K211-L234 HydrophobicContact CG-CD2 4.41Å
212	N	80.1	Confident	77.7	Confident	98 Å²	98	56 Å²	56	52%	0.524	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-1.1	-179.1	-65.6	-14.2	0	0	0	113.4	S208 V210 N214	S208-N212 VanDerWaalsContact O-CB 3.32Å; S208-N212 WeakPolarHBondContact O-CB 3.33Å; S208-N212 VanDerWaalsContact O-CG 3.25Å; S208-N212 PolarHBondContact O-N 2.88Å; S208-N212 PolarHBondContact O-ND2 3.49Å; V210-N212 VanDerWaalsContact C-N 3.3Å; V210-N212 PolarHBondContact O-N 3.49Å; N212-N214 PolarHBondContact O-N 3.26Å; N212-N214 PolarHBondContact O-OD1 2.84Å
213	Q	75	Confident	76.5	Confident	82 Å²	82	57.4 Å²	57.4	38%	0.383	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	33.8	-176.6	-58.7	-179	0.3	0	0	113.3	V209 V210 K211 S224	V209-Q213 PolarHBondContact O-N 3.39Å; V210-Q213 PolarHBondContact O-N 3.29Å; K211-Q213 VanDerWaalsContact C-N 3.29Å; K211-Q213 PolarHBondContact O-N 3.23Å; Q213-S224 WeakPolarHBondContact CB-O 3.35Å; Q213-S224 VanDerWaalsContact O-CB 3.3Å; Q213-S224 WeakPolarHBondContact O-CB 3.43Å; Q213-S224 PolarHBondContact OE1-O 2.94Å
214	N	73.7	Confident	75.6	Confident	82 Å²	82	57.7 Å²	57.7	44%	0.439	32%	0.319	S	S	.	.			trans	-77.7	125.1	176.7	-73	-10.5	0	0	0	109.4	V209 N212 N219	V209-N214 HydrophobicContact CG1-CB 4.23Å; V209-N214 WeakPolarHBondContact CG1-O 3.21Å; V209-N214 PolarHBondContact O-N 3.5Å; N212-N214 PolarHBondContact O-N 3.26Å; N212-N214 PolarHBondContact O-OD1 2.84Å; N214-N219 PolarHBondContact O-ND2 2.78Å
215	P	67.8	Low	75.2	Confident	92 Å²	92	65.7 Å²	65.7	60%	0.597	34%	0.344	S	S	*	.			trans	-67.1	141.2	170.5	29.1	-32.7	0	0	0	109.7	N219	P215-N219 WeakPolarHBondContact CA-O 3.2Å
216	G	73.1	Confident	75.1	Confident	42 Å²	42	67.2 Å²	67.2	43%	0.433	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-169.6	-179.3	178.7	0	0	0	0	0	111.9	N218 N219	G216-N218 VanDerWaalsContact C-N 3.3Å; G216-N218 PolarHBondContact O-N 3.34Å; G216-N219 PolarHBondContact N-O 3.21Å; G216-N219 CarbonylContact O-C 3.5Å; G216-N219 VanDerWaalsContact O-C 3.3Å; G216-N219 PolarHBondContact O-N 2.98Å; G216-N219 VanDerWaalsContact O-O 3.08Å
217	F	64.8	Low	75.1	Confident	146 Å²	146	69.3 Å²	69.3	64%	0.64	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-45.5	-178	175.4	-104	0	0	0	112.7	P311	F217-P311 HydrophobicContact CD2-CB 3.85Å; F217-P311 HydrophobicContact CD2-CG 4.16Å; F217-P311 HydrophobicContact CE2-CB 4.1Å; F217-P311 HydrophobicContact CE2-CG 3.89Å
218	N	68.6	Low	75.2	Confident	84 Å²	84	74.6 Å²	74.6	45%	0.449	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	0.2	178.7	-68.7	-30.8	0	0	0	114.1	G216 K233	G216-N218 VanDerWaalsContact C-N 3.3Å; G216-N218 PolarHBondContact O-N 3.34Å; N218-K233 PolarHBondContact O-NZ 3.43Å
219	N	75.7	Confident	75.3	Confident	2 Å²	2	75.7 Å²	75.7	1%	0.011	40%	0.402	C	S	.	.	B	Isolated β-bridge	trans	-133.9	89.4	-178.7	-162.2	39.8	0	0	0	111.5	V209 N214 P215 G216 K233	V209-N219 HydrophobicContact CG1-CB 3.9Å; N214-N219 PolarHBondContact O-ND2 2.78Å; P215-N219 WeakPolarHBondContact CA-O 3.2Å; G216-N219 PolarHBondContact N-O 3.21Å; G216-N219 CarbonylContact O-C 3.5Å; G216-N219 VanDerWaalsContact O-C 3.3Å; G216-N219 PolarHBondContact O-N 2.98Å; G216-N219 VanDerWaalsContact O-O 3.08Å; N219-K233 PolarHBondContact OD1-NZ 3.15Å
220	A	74.5	Confident	75.4	Confident	40 Å²	40	74.7 Å²	74.7	33%	0.331	40%	0.396	S	S	.	.			trans	-57.7	142.6	-176.8	0	0	0	0	0	112.7	F222 I223 S224	A220-F222 HydrophobicContact CB-CD1 3.58Å; A220-F222 HydrophobicContact CB-CE1 3.37Å; A220-F222 HydrophobicContact CB-CZ 4.3Å; A220-F222 PolarHBondContact O-N 3.16Å; A220-F222 VanDerWaalsContact O-N 3.13Å; A220-I223 PolarHBondContact O-N 3.09Å; A220-S224 PolarHBondContact O-N 3.03Å; A220-S224 VanDerWaalsContact O-N 3.14Å
221	A	70.2	Confident	75.9	Confident	44 Å²	44	81.4 Å²	81.4	36%	0.364	43%	0.425	S	S	.	.	H	α-helix	trans	-57.8	-30.6	-175.6	0	0	0	0	0	113.8	I223 S224 R225	A221-I223 VanDerWaalsContact C-N 3.34Å; A221-S224 WeakPolarHBondContact CA-OG 3.32Å; A221-S224 PolarHBondContact O-OG 3.01Å; A221-S224 VanDerWaalsContact O-OG 3.1Å; A221-R225 VanDerWaalsContact O-CB 3.31Å; A221-R225 WeakPolarHBondContact O-CB 3.34Å; A221-R225 WeakPolarHBondContact O-CD 3.44Å; A221-R225 WeakPolarHBondContact O-CG 3.31Å; A221-R225 PolarHBondContact O-N 3.27Å
222	F	74	Confident	76.6	Confident	137 Å²	137	77.6 Å²	77.6	60%	0.601	42%	0.418	S	S	*	.	H	α-helix	trans	-71	-29.8	178.2	75.3	-92.7	0	0	0	112.9	A220 L229	A220-F222 HydrophobicContact CB-CD1 3.58Å; A220-F222 HydrophobicContact CB-CE1 3.37Å; A220-F222 HydrophobicContact CB-CZ 4.3Å; A220-F222 PolarHBondContact O-N 3.16Å; A220-F222 VanDerWaalsContact O-N 3.13Å; F222-L229 HydrophobicContact CD2-CD1 4.28Å
223	I	65.5	Low	77.1	Confident	30 Å²	30	74.2 Å²	74.2	15%	0.154	40%	0.399	C	S	.	.	H	α-helix	trans	-75.2	-48	174.4	-58.7	-178.5	0	0	0	108.7	A220 A221 R225 N226 L229 S230 K233	A220-I223 PolarHBondContact O-N 3.09Å; A221-I223 VanDerWaalsContact C-N 3.34Å; I223-R225 VanDerWaalsContact C-N 3.27Å; I223-R225 PolarHBondContact O-N 2.86Å; I223-N226 CarbonylContact O-C 3.51Å; I223-N226 PolarHBondContact O-N 3.37Å; I223-L229 HydrophobicContact CG2-CB 4.15Å; I223-S230 PolarHBondContact O-OG 3.25Å; I223-K233 HydrophobicContact CD1-CD 4Å; I223-K233 HydrophobicContact CG2-CB 4.31Å; I223-K233 HydrophobicContact CG2-CD 3.9Å
224	S	70.3	Confident	77.8	Confident	9 Å²	9	71.8 Å²	71.8	6%	0.063	39%	0.389	C	S	.	.	H	α-helix	trans	-64.2	-31.4	-177.4	65.9	0	0	0	0	113	Q213 A220 A221 N226	Q213-S224 WeakPolarHBondContact CB-O 3.35Å; Q213-S224 VanDerWaalsContact O-CB 3.3Å; Q213-S224 WeakPolarHBondContact O-CB 3.43Å; Q213-S224 PolarHBondContact OE1-O 2.94Å; A220-S224 PolarHBondContact O-N 3.03Å; A220-S224 VanDerWaalsContact O-N 3.14Å; A221-S224 WeakPolarHBondContact CA-OG 3.32Å; A221-S224 PolarHBondContact O-OG 3.01Å; A221-S224 VanDerWaalsContact O-OG 3.1Å; S224-N226 VanDerWaalsContact C-N 3.26Å; S224-N226 PolarHBondContact O-N 3.28Å
225	R	78.3	Confident	78.7	Confident	215 Å²	215	72.3 Å²	72.3	81%	0.811	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-14.6	174	-72.7	171.5	-175.4	-170.7	1.6	114.2	A221 I223	A221-R225 VanDerWaalsContact O-CB 3.31Å; A221-R225 WeakPolarHBondContact O-CB 3.34Å; A221-R225 WeakPolarHBondContact O-CD 3.44Å; A221-R225 WeakPolarHBondContact O-CG 3.31Å; A221-R225 PolarHBondContact O-N 3.27Å; I223-R225 VanDerWaalsContact C-N 3.27Å; I223-R225 PolarHBondContact O-N 2.86Å
226	N	82.5	Confident	80	Confident	68 Å²	68	69.8 Å²	69.8	36%	0.364	37%	0.369	S	S	.	.			trans	-118.1	112.3	-176.6	-174.9	-34.1	0	0	0	111	I223 S224 L228 L229 S230	I223-N226 CarbonylContact O-C 3.51Å; I223-N226 PolarHBondContact O-N 3.37Å; S224-N226 VanDerWaalsContact C-N 3.26Å; S224-N226 PolarHBondContact O-N 3.28Å; N226-L228 VanDerWaalsContact C-N 3.29Å; N226-L228 PolarHBondContact O-N 2.72Å; N226-L228 WeakPolarHBondContact OD1-CB 3.42Å; N226-L228 PolarHBondContact OD1-N 3Å; N226-L229 HydrophobicContact CB-CB 4.07Å; N226-L229 HydrophobicContact CB-CD1 3.94Å; N226-L229 HydrophobicContact CB-CG 4.04Å; N226-L229 PolarHBondContact O-N 2.91Å; N226-L229 PolarHBondContact OD1-N 3.33Å; N226-S230 WeakPolarHBondContact O-CB 3.27Å; N226-S230 PolarHBondContact O-N 2.8Å; N226-S230 PolarHBondContact O-OG 3.44Å
227	A	82.8	Confident	81	Confident	62 Å²	62	68.6 Å²	68.6	51%	0.512	35%	0.352	S	S	.	.	H	α-helix	trans	-59.9	-35.2	-177.9	0	0	0	0	0	113.7	K231	A227-K231 WeakPolarHBondContact O-CB 3.21Å; A227-K231 PolarHBondContact O-N 3.07Å
228	L	86.7	Confident	82.4	Confident	128 Å²	128	67.3 Å²	67.3	67%	0.67	34%	0.343	S	S	*	.	H	α-helix	trans	-71.5	-44.4	179.2	-173.5	147.4	0	0	0	111.3	N226 S230 K231 A232	N226-L228 VanDerWaalsContact C-N 3.29Å; N226-L228 PolarHBondContact O-N 2.72Å; N226-L228 WeakPolarHBondContact OD1-CB 3.42Å; N226-L228 PolarHBondContact OD1-N 3Å; L228-S230 VanDerWaalsContact C-N 3.33Å; L228-K231 PolarHBondContact O-N 2.8Å; L228-A232 WeakPolarHBondContact O-CB 3.29Å; L228-A232 PolarHBondContact O-N 2.6Å
229	L	84.5	Confident	83.7	Confident	69 Å²	69	68.6 Å²	68.6	36%	0.361	35%	0.35	S	S	.	.	H	α-helix	trans	-64.6	-40	175.1	-65.5	-179.6	0	0	0	111.3	F222 I223 N226 A232 K233	F222-L229 HydrophobicContact CD2-CD1 4.28Å; I223-L229 HydrophobicContact CG2-CB 4.15Å; N226-L229 HydrophobicContact CB-CB 4.07Å; N226-L229 HydrophobicContact CB-CD1 3.94Å; N226-L229 HydrophobicContact CB-CG 4.04Å; N226-L229 PolarHBondContact O-N 2.91Å; N226-L229 PolarHBondContact OD1-N 3.33Å; L229-A232 PolarHBondContact O-N 3.47Å; L229-K233 WeakPolarHBondContact O-CB 3.46Å; L229-K233 PolarHBondContact O-N 3.14Å
230	S	83.4	Confident	84.7	Confident	3 Å²	3	68.9 Å²	68.9	2%	0.021	35%	0.351	C	S	.	.	H	α-helix	trans	-61.5	-43.3	173.9	-71.3	0	0	0	0	111.7	I223 N226 L228 K233 L234	I223-S230 PolarHBondContact O-OG 3.25Å; N226-S230 WeakPolarHBondContact O-CB 3.27Å; N226-S230 PolarHBondContact O-N 2.8Å; N226-S230 PolarHBondContact O-OG 3.44Å; L228-S230 VanDerWaalsContact C-N 3.33Å; S230-K233 PolarHBondContact O-N 2.97Å; S230-L234 VanDerWaalsContact O-CB 3.27Å; S230-L234 WeakPolarHBondContact O-CB 3.34Å; S230-L234 PolarHBondContact O-N 2.99Å
231	K	87.5	Confident	85.8	Confident	144 Å²	144	67.4 Å²	67.4	63%	0.626	34%	0.339	S	S	*	.	H	α-helix	trans	-64.7	-43.5	175.9	-171.9	177.1	-178.3	179.8	0	112.1	A227 L228 L234 I235	A227-K231 WeakPolarHBondContact O-CB 3.21Å; A227-K231 PolarHBondContact O-N 3.07Å; L228-K231 PolarHBondContact O-N 2.8Å; K231-L234 PolarHBondContact O-N 3.41Å; K231-I235 HydrophobicContact CG-CD1 4.35Å; K231-I235 WeakPolarHBondContact O-CG1 3.41Å; K231-I235 PolarHBondContact O-N 3.42Å
232	A	89.9	Confident	87	Confident	52 Å²	52	71.8 Å²	71.8	43%	0.43	35%	0.35	S	S	.	.	H	α-helix	trans	-62.3	-45.6	176.6	0	0	0	0	0	111.6	L228 L229 L234 I235 Y236	L228-A232 WeakPolarHBondContact O-CB 3.29Å; L228-A232 PolarHBondContact O-N 2.6Å; L229-A232 PolarHBondContact O-N 3.47Å; A232-L234 VanDerWaalsContact C-N 3.31Å; A232-L234 PolarHBondContact O-N 2.72Å; A232-I235 PolarHBondContact O-N 3.43Å; A232-Y236 PolarHBondContact O-N 3.34Å
233	K	90.9	Very high	88.1	Confident	27 Å²	27	68.1 Å²	68.1	12%	0.117	34%	0.339	C	S	.	.	H	α-helix	trans	-61.4	-39.5	174.6	-175.4	175.2	178.3	178.8	0	111.8	V210 N218 N219 I223 L229 S230 Y236 Y237	V210-K233 HydrophobicContact CG1-CB 4.1Å; V210-K233 HydrophobicContact CG1-CD 4.12Å; V210-K233 HydrophobicContact CG1-CG 3.99Å; V210-K233 HydrophobicContact CG2-CD 3.98Å; V210-K233 HydrophobicContact CG2-CG 4.33Å; N218-K233 PolarHBondContact O-NZ 3.43Å; N219-K233 PolarHBondContact OD1-NZ 3.15Å; I223-K233 HydrophobicContact CD1-CD 4Å; I223-K233 HydrophobicContact CG2-CB 4.31Å; I223-K233 HydrophobicContact CG2-CD 3.9Å; L229-K233 WeakPolarHBondContact O-CB 3.46Å; L229-K233 PolarHBondContact O-N 3.14Å; S230-K233 PolarHBondContact O-N 2.97Å; K233-Y236 WeakPolarHBondContact O-CB 3.38Å; K233-Y236 PolarHBondContact O-N 3Å; K233-Y237 WeakPolarHBondContact CE-OH 3.02Å; K233-Y237 HydrophobicContact CG-CD1 4.22Å; K233-Y237 HydrophobicContact CG-CE1 4.05Å; K233-Y237 WeakPolarHBondContact O-CB 2.99Å; K233-Y237 PolarHBondContact O-N 3.21Å
234	L	90.1	Very high	89.7	Confident	32 Å²	32	66.8 Å²	66.8	17%	0.168	33%	0.332	C	S	.	.	H	α-helix	trans	-64.5	-44.3	177.7	-173.9	61.2	0	0	0	111.8	L207 V210 K211 S230 K231 A232 Y236 Y237 Y238	L207-L234 HydrophobicContact CD2-CD1 4.44Å; V210-L234 HydrophobicContact CG1-CB 4.03Å; V210-L234 HydrophobicContact CG1-CD1 4.38Å; K211-L234 HydrophobicContact CB-CD1 4.26Å; K211-L234 HydrophobicContact CB-CD2 4.29Å; K211-L234 HydrophobicContact CG-CD2 4.41Å; S230-L234 VanDerWaalsContact O-CB 3.27Å; S230-L234 WeakPolarHBondContact O-CB 3.34Å; S230-L234 PolarHBondContact O-N 2.99Å; K231-L234 PolarHBondContact O-N 3.41Å; A232-L234 VanDerWaalsContact C-N 3.31Å; A232-L234 PolarHBondContact O-N 2.72Å; L234-Y236 VanDerWaalsContact C-N 3.35Å; L234-Y237 PolarHBondContact O-N 3.14Å; L234-Y238 HydrophobicContact CD1-CD2 3.99Å; L234-Y238 HydrophobicContact CD1-CE2 3.51Å; L234-Y238 HydrophobicContact CD2-CE2 3.99Å; L234-Y238 HydrophobicContact CG-CD2 3.81Å; L234-Y238 HydrophobicContact CG-CE2 3.5Å; L234-Y238 VanDerWaalsContact O-CD2 3.24Å; L234-Y238 WeakPolarHBondContact O-CD2 3.39Å; L234-Y238 PolarHBondContact O-N 3.45Å
235	I	92.5	Very high	91	Very high	92 Å²	92	66.7 Å²	66.7	47%	0.472	33%	0.332	S	S	.	.	H	α-helix	trans	-59.8	-47.1	173.9	-67.8	166.1	0	0	0	110.3	K231 A232 Y237 Y238 L239	K231-I235 HydrophobicContact CG-CD1 4.35Å; K231-I235 WeakPolarHBondContact O-CG1 3.41Å; K231-I235 PolarHBondContact O-N 3.42Å; A232-I235 PolarHBondContact O-N 3.43Å; I235-Y237 VanDerWaalsContact C-N 3.33Å; I235-Y237 PolarHBondContact O-N 3.03Å; I235-Y238 PolarHBondContact O-N 3.04Å; I235-L239 HydrophobicContact CG2-CD1 3.98Å; I235-L239 HydrophobicContact CG2-CG 4.38Å; I235-L239 WeakPolarHBondContact O-CG 3.22Å; I235-L239 PolarHBondContact O-N 3.27Å
236	Y	94.3	Very high	91.9	Very high	39 Å²	39	60.7 Å²	60.7	15%	0.153	32%	0.316	C	S	.	.	H	α-helix	trans	-56.1	-46.6	175.1	163.2	-118.4	0	0	0	111.8	F147 L150 A232 K233 L234 Y238 L239 F240	F147-Y236 HydrophobicContact CD1-CD1 4.15Å; F147-Y236 AromaticContact CD1-CD2 3.99Å; F147-Y236 HydrophobicContact CD1-CD2 3.99Å; F147-Y236 AromaticContact CD1-CE1 3.95Å; F147-Y236 HydrophobicContact CD1-CE1 3.95Å; F147-Y236 AromaticContact CD1-CE2 3.79Å; F147-Y236 HydrophobicContact CD1-CE2 3.79Å; F147-Y236 HydrophobicContact CD1-CG 4.18Å; F147-Y236 AromaticContact CD1-CZ 3.78Å; F147-Y236 HydrophobicContact CE1-CD1 4.38Å; F147-Y236 HydrophobicContact CE1-CD2 4.23Å; F147-Y236 HydrophobicContact CE1-CE2 4.48Å; F147-Y236 HydrophobicContact CE1-CG 4.2Å; L150-Y236 HydrophobicContact CB-CE2 4.07Å; L150-Y236 WeakPolarHBondContact CB-OH 3.48Å; L150-Y236 HydrophobicContact CD2-CE2 4.43Å; L150-Y236 PolarHBondContact N-OH 3.3Å; L150-Y236 VanDerWaalsContact N-OH 3.13Å; A232-Y236 PolarHBondContact O-N 3.34Å; K233-Y236 WeakPolarHBondContact O-CB 3.38Å; K233-Y236 PolarHBondContact O-N 3Å; L234-Y236 VanDerWaalsContact C-N 3.35Å; Y236-Y238 PolarHBondContact O-N 2.97Å; Y236-L239 PolarHBondContact O-N 2.64Å; Y236-F240 HydrophobicContact CE2-CB 4.3Å; Y236-F240 VanDerWaalsContact O-CB 3.27Å; Y236-F240 WeakPolarHBondContact O-CB 3.47Å; Y236-F240 PolarHBondContact O-N 3.21Å
237	Y	94.1	Very high	92.6	Very high	17 Å²	17	58.3 Å²	58.3	7%	0.067	30%	0.304	C	S	.	.	H	α-helix	trans	-65.9	-37.9	179.3	-83.2	19.8	0	0	0	112.5	L149 I202 M206 L207 V210 K233 L234 I235 F240 A241	L149-Y237 HydrophobicContact CD1-CE1 4.17Å; I202-Y237 HydrophobicContact CD1-CD1 4.43Å; I202-Y237 HydrophobicContact CD1-CD2 4.04Å; I202-Y237 HydrophobicContact CD1-CG 3.89Å; M206-Y237 HydrophobicContact CB-CE2 4.15Å; M206-Y237 HydrophobicContact CE-CE2 4Å; L207-Y237 HydrophobicContact CD2-CD2 4.38Å; L207-Y237 HydrophobicContact CD2-CG 4.48Å; V210-Y237 HydrophobicContact CG2-CD2 3.88Å; V210-Y237 HydrophobicContact CG2-CE2 3.59Å; K233-Y237 WeakPolarHBondContact CE-OH 3.02Å; K233-Y237 HydrophobicContact CG-CD1 4.22Å; K233-Y237 HydrophobicContact CG-CE1 4.05Å; K233-Y237 WeakPolarHBondContact O-CB 2.99Å; K233-Y237 PolarHBondContact O-N 3.21Å; L234-Y237 PolarHBondContact O-N 3.14Å; I235-Y237 VanDerWaalsContact C-N 3.33Å; I235-Y237 PolarHBondContact O-N 3.03Å; Y237-F240 PolarHBondContact O-N 2.94Å; Y237-A241 WeakPolarHBondContact O-CB 3.5Å; Y237-A241 PolarHBondContact O-N 2.9Å
238	Y	94.6	Very high	93.3	Very high	119 Å²	119	55.4 Å²	55.4	47%	0.467	28%	0.279	S	S	.	.	H	α-helix	trans	-66.3	-43.9	174.6	-81.1	-57.7	0	0	0	112.5	L207 L234 I235 Y236 F240 A241 F242	L207-Y238 HydrophobicContact CD1-CD1 4.34Å; L207-Y238 HydrophobicContact CD1-CE1 4.09Å; L207-Y238 HydrophobicContact CD2-CD1 4.06Å; L207-Y238 HydrophobicContact CD2-CE1 4.12Å; L207-Y238 HydrophobicContact CD2-CG 4.39Å; L234-Y238 HydrophobicContact CD1-CD2 3.99Å; L234-Y238 HydrophobicContact CD1-CE2 3.51Å; L234-Y238 HydrophobicContact CD2-CE2 3.99Å; L234-Y238 HydrophobicContact CG-CD2 3.81Å; L234-Y238 HydrophobicContact CG-CE2 3.5Å; L234-Y238 VanDerWaalsContact O-CD2 3.24Å; L234-Y238 WeakPolarHBondContact O-CD2 3.39Å; L234-Y238 PolarHBondContact O-N 3.45Å; I235-Y238 PolarHBondContact O-N 3.04Å; Y236-Y238 PolarHBondContact O-N 2.97Å; Y238-F240 VanDerWaalsContact C-N 3.35Å; Y238-A241 PolarHBondContact O-N 3.31Å; Y238-F242 WeakPolarHBondContact O-CB 3.32Å; Y238-F242 PolarHBondContact O-N 3.02Å
239	L	95.9	Very high	93.8	Very high	112 Å²	112	52 Å²	52	59%	0.586	27%	0.266	S	S	*	.	H	α-helix	trans	-62	-44.9	175.1	-70	174	0	0	0	110.9	I235 Y236 F242 V243	I235-L239 HydrophobicContact CG2-CD1 3.98Å; I235-L239 HydrophobicContact CG2-CG 4.38Å; I235-L239 WeakPolarHBondContact O-CG 3.22Å; I235-L239 PolarHBondContact O-N 3.27Å; Y236-L239 PolarHBondContact O-N 2.64Å; L239-F242 WeakPolarHBondContact O-CB 3.32Å; L239-F242 PolarHBondContact O-N 3.04Å; L239-V243 WeakPolarHBondContact O-CG2 3.35Å; L239-V243 PolarHBondContact O-N 2.86Å
240	F	96.7	Very high	94.4	Very high	8 Å²	8	49.3 Å²	49.3	4%	0.035	25%	0.253	C	S	.	.	H	α-helix	trans	-63.8	-44.4	176.8	-176.5	-93.9	0	0	0	111.6	L149 L150 S153 F180 T201 I202 Y236 Y237 Y238 F242 V243 Y244	L149-F240 HydrophobicContact CB-CD1 4.44Å; L149-F240 HydrophobicContact CB-CE1 4Å; L149-F240 HydrophobicContact CB-CE2 4.1Å; L149-F240 HydrophobicContact CB-CZ 3.81Å; L149-F240 HydrophobicContact CD1-CD1 4.32Å; L149-F240 HydrophobicContact CD1-CE1 4.25Å; L150-F240 HydrophobicContact CB-CD2 4.45Å; L150-F240 HydrophobicContact CD1-CD2 4.5Å; S153-F240 WeakPolarHBondContact OG-CE2 3.42Å; S153-F240 VanDerWaalsContact OG-CZ 3.31Å; S153-F240 WeakPolarHBondContact OG-CZ 3.17Å; F180-F240 HydrophobicContact CE2-CE2 4.07Å; F180-F240 AromaticContact CE2-CZ 3.87Å; F180-F240 HydrophobicContact CE2-CZ 3.87Å; F180-F240 AromaticContact CZ-CE2 3.82Å; F180-F240 HydrophobicContact CZ-CE2 3.82Å; F180-F240 HydrophobicContact CZ-CZ 4.06Å; T201-F240 HydrophobicContact CG2-CE1 4.06Å; T201-F240 HydrophobicContact CG2-CZ 3.89Å; I202-F240 HydrophobicContact CB-CD1 3.97Å; I202-F240 HydrophobicContact CB-CE1 3.94Å; I202-F240 HydrophobicContact CD1-CD1 3.93Å; I202-F240 HydrophobicContact CG2-CD1 3.77Å; I202-F240 HydrophobicContact CG2-CE1 3.81Å; Y236-F240 HydrophobicContact CE2-CB 4.3Å; Y236-F240 VanDerWaalsContact O-CB 3.27Å; Y236-F240 WeakPolarHBondContact O-CB 3.47Å; Y236-F240 PolarHBondContact O-N 3.21Å; Y237-F240 PolarHBondContact O-N 2.94Å; Y238-F240 VanDerWaalsContact C-N 3.35Å; F240-F242 VanDerWaalsContact C-N 3.3Å; F240-F242 PolarHBondContact O-N 3.28Å; F240-V243 PolarHBondContact O-N 3.38Å; F240-Y244 VanDerWaalsContact O-CB 3.25Å; F240-Y244 WeakPolarHBondContact O-CB 3.4Å; F240-Y244 PolarHBondContact O-N 3.42Å
241	A	96.1	Very high	95	Very high	9 Å²	9	49.5 Å²	49.5	7%	0.074	25%	0.254	C	S	.	.	H	α-helix	trans	-60.3	-38.9	176.1	0	0	0	0	0	112	I202 L207 Y237 Y238 Y244 G245 L268	I202-A241 HydrophobicContact CD1-CB 4.33Å; I202-A241 HydrophobicContact CG2-CB 4.27Å; L207-A241 HydrophobicContact CD1-CB 4.5Å; Y237-A241 WeakPolarHBondContact O-CB 3.5Å; Y237-A241 PolarHBondContact O-N 2.9Å; Y238-A241 PolarHBondContact O-N 3.31Å; A241-Y244 PolarHBondContact O-N 3.3Å; A241-G245 PolarHBondContact O-N 2.82Å; A241-L268 HydrophobicContact CB-CD2 3.95Å
242	F	96.9	Very high	95.5	Very high	135 Å²	135	45.4 Å²	45.4	59%	0.592	24%	0.24	S	C	*	.	H	α-helix	trans	-62	-50.4	174.1	174.6	-103.3	0	0	0	111.6	Y238 L239 F240 Y244 G245 L246	Y238-F242 WeakPolarHBondContact O-CB 3.32Å; Y238-F242 PolarHBondContact O-N 3.02Å; L239-F242 WeakPolarHBondContact O-CB 3.32Å; L239-F242 PolarHBondContact O-N 3.04Å; F240-F242 VanDerWaalsContact C-N 3.3Å; F240-F242 PolarHBondContact O-N 3.28Å; F242-Y244 VanDerWaalsContact C-N 3.34Å; F242-Y244 PolarHBondContact O-N 3.47Å; F242-G245 PolarHBondContact O-N 2.79Å; F242-L246 HydrophobicContact CD1-CD1 4.14Å; F242-L246 HydrophobicContact CE1-CD1 3.54Å; F242-L246 HydrophobicContact CE1-CG 4.25Å; F242-L246 HydrophobicContact CZ-CD1 3.81Å; F242-L246 HydrophobicContact CZ-CD2 4.29Å; F242-L246 HydrophobicContact CZ-CG 4.2Å; F242-L246 WeakPolarHBondContact O-CG 3.29Å; F242-L246 PolarHBondContact O-N 3.33Å
243	V	97.5	Very high	95.9	Very high	61 Å²	61	43.2 Å²	43.2	37%	0.37	22%	0.22	S	C	.	.	H	α-helix	trans	-63.8	-40.8	177.7	178	0	0	0	0	111.4	F180 L239 F240 G245 L246 V247	F180-V243 HydrophobicContact CE1-CG1 3.68Å; F180-V243 HydrophobicContact CZ-CG1 4.03Å; L239-V243 WeakPolarHBondContact O-CG2 3.35Å; L239-V243 PolarHBondContact O-N 2.86Å; F240-V243 PolarHBondContact O-N 3.38Å; V243-G245 VanDerWaalsContact C-N 3.29Å; V243-G245 PolarHBondContact O-N 2.82Å; V243-L246 WeakPolarHBondContact O-CB 3.28Å; V243-L246 PolarHBondContact O-N 3.36Å; V243-L246 VanDerWaalsContact O-N 3.16Å; V243-V247 PolarHBondContact O-N 2.83Å
244	Y	97.7	Very high	96.3	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	22%	0.215	C	C	.	.	H	α-helix	trans	-59	-41.5	174.7	-178	-122.7	0	0	0	111.6	A179 F180 P200 T201 I202 F240 A241 F242 V247 G248 L268 W269	A179-Y244 HydrophobicContact CB-CD2 4.25Å; A179-Y244 HydrophobicContact CB-CE2 3.65Å; F180-Y244 AromaticContact CE2-CD2 3.92Å; F180-Y244 HydrophobicContact CE2-CD2 3.92Å; P200-Y244 WeakPolarHBondContact CA-OH 3.39Å; P200-Y244 HydrophobicContact CB-CE1 4.17Å; T201-Y244 PolarHBondContact N-OH 2.73Å; T201-Y244 VanDerWaalsContact OG1-CE2 3.24Å; T201-Y244 WeakPolarHBondContact OG1-CE2 3.48Å; I202-Y244 HydrophobicContact CG2-CD1 3.54Å; I202-Y244 HydrophobicContact CG2-CE1 4.14Å; I202-Y244 HydrophobicContact CG2-CG 4.03Å; F240-Y244 VanDerWaalsContact O-CB 3.25Å; F240-Y244 WeakPolarHBondContact O-CB 3.4Å; F240-Y244 PolarHBondContact O-N 3.42Å; A241-Y244 PolarHBondContact O-N 3.3Å; F242-Y244 VanDerWaalsContact C-N 3.34Å; F242-Y244 PolarHBondContact O-N 3.47Å; Y244-V247 HydrophobicContact CD2-CG2 4.43Å; Y244-V247 VanDerWaalsContact O-CG2 3.31Å; Y244-V247 WeakPolarHBondContact O-CG2 3.48Å; Y244-G248 PolarHBondContact O-N 3.06Å; Y244-L268 HydrophobicContact CD1-CB 4.5Å; Y244-L268 HydrophobicContact CD1-CD1 4.32Å; Y244-L268 HydrophobicContact CE1-CD1 4.24Å; Y244-W269 AromaticContact CD1-CD1 3.94Å; Y244-W269 AromaticContact CD1-NE1 3.35Å; Y244-W269 AromaticContact CD2-NE1 3.95Å; Y244-W269 AromaticContact CE1-CD1 3.89Å; Y244-W269 AromaticContact CE1-CE2 3.93Å; Y244-W269 HydrophobicContact CE1-CZ2 4.32Å; Y244-W269 AromaticContact CE1-NE1 3.02Å; Y244-W269 AromaticContact CE2-CZ2 3.84Å; Y244-W269 HydrophobicContact CE2-CZ2 3.84Å; Y244-W269 AromaticContact CE2-NE1 3.66Å; Y244-W269 AromaticContact CG-NE1 3.82Å; Y244-W269 AromaticContact CZ-CE2 3.67Å; Y244-W269 AromaticContact CZ-CZ2 3.6Å; Y244-W269 AromaticContact CZ-NE1 3.19Å; Y244-W269 WeakPolarHBondContact OH-CZ2 3.35Å
245	G	97.6	Very high	96.7	Very high	7 Å²	7	40.4 Å²	40.4	7%	0.072	21%	0.207	C	C	.	.	H	α-helix	trans	-60.8	-45.5	172.6	0	0	0	0	0	112.9	A241 F242 V243 G248 S249 L268	A241-G245 PolarHBondContact O-N 2.82Å; F242-G245 PolarHBondContact O-N 2.79Å; V243-G245 VanDerWaalsContact C-N 3.29Å; V243-G245 PolarHBondContact O-N 2.82Å; G245-G248 PolarHBondContact O-N 3.14Å; G245-S249 VanDerWaalsContact O-CB 3.31Å; G245-S249 WeakPolarHBondContact O-CB 3.38Å; G245-S249 PolarHBondContact O-N 3.42Å; G245-L268 WeakPolarHBondContact CA-O 3.42Å
246	L	97.7	Very high	96.9	Very high	90 Å²	90	36 Å²	36	47%	0.471	18%	0.184	S	C	.	.	H	α-helix	trans	-60.4	-48.8	177.1	-67.5	178.3	0	0	0	112.2	F242 V243 S249	F242-L246 HydrophobicContact CD1-CD1 4.14Å; F242-L246 HydrophobicContact CE1-CD1 3.54Å; F242-L246 HydrophobicContact CE1-CG 4.25Å; F242-L246 HydrophobicContact CZ-CD1 3.81Å; F242-L246 HydrophobicContact CZ-CD2 4.29Å; F242-L246 HydrophobicContact CZ-CG 4.2Å; F242-L246 WeakPolarHBondContact O-CG 3.29Å; F242-L246 PolarHBondContact O-N 3.33Å; V243-L246 WeakPolarHBondContact O-CB 3.28Å; V243-L246 PolarHBondContact O-N 3.36Å; V243-L246 VanDerWaalsContact O-N 3.16Å; L246-S249 PolarHBondContact O-N 2.91Å; L246-S249 PolarHBondContact O-OG 2.75Å
247	V	98	Very high	97	Very high	18 Å²	18	34.5 Å²	34.5	11%	0.109	18%	0.179	C	C	.	.	H	α-helix	trans	-69.6	-37.3	-178.6	-57.3	0	0	0	0	112.4	A179 F180 P183 V243 Y244 S249 C250	A179-V247 HydrophobicContact CB-CG2 4.33Å; F180-V247 HydrophobicContact CD1-CG1 4.06Å; F180-V247 HydrophobicContact CD1-CG2 4.28Å; F180-V247 HydrophobicContact CD2-CG2 4.02Å; F180-V247 HydrophobicContact CE1-CG1 4.23Å; F180-V247 HydrophobicContact CE1-CG2 4.38Å; F180-V247 HydrophobicContact CE2-CG2 4.1Å; F180-V247 HydrophobicContact CG-CG2 4.11Å; F180-V247 HydrophobicContact CZ-CG2 4.28Å; P183-V247 HydrophobicContact CG-CB 3.75Å; P183-V247 HydrophobicContact CG-CG1 3.9Å; V243-V247 PolarHBondContact O-N 2.83Å; Y244-V247 HydrophobicContact CD2-CG2 4.43Å; Y244-V247 VanDerWaalsContact O-CG2 3.31Å; Y244-V247 WeakPolarHBondContact O-CG2 3.48Å; V247-S249 VanDerWaalsContact C-N 3.31Å; V247-C250 WeakPolarHBondContact O-CB 3.38Å; V247-C250 PolarHBondContact O-N 3.04Å
248	G	97.5	Very high	97.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-67.6	-31.7	175.3	0	0	0	0	0	112.9	Y244 G245 C250 S251 W269	Y244-G248 PolarHBondContact O-N 3.06Å; G245-G248 PolarHBondContact O-N 3.14Å; G248-C250 PolarHBondContact O-N 3.25Å; G248-C250 VanDerWaalsContact O-N 3.11Å; G248-S251 WeakPolarHBondContact O-CB 3.46Å; G248-S251 PolarHBondContact O-N 3.36Å; G248-S251 VanDerWaalsContact O-N 3.12Å; G248-S251 PolarHBondContact O-OG 3.37Å; G248-W269 VanDerWaalsContact CA-CD2 3.44Å
249	S	96.9	Very high	97.3	Very high	56 Å²	56	29.4 Å²	29.4	39%	0.392	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-13.6	176.2	77.7	0	0	0	0	114.2	G245 L246 V247 S251	G245-S249 VanDerWaalsContact O-CB 3.31Å; G245-S249 WeakPolarHBondContact O-CB 3.38Å; G245-S249 PolarHBondContact O-N 3.42Å; L246-S249 PolarHBondContact O-N 2.91Å; L246-S249 PolarHBondContact O-OG 2.75Å; V247-S249 VanDerWaalsContact C-N 3.31Å; S249-S251 VanDerWaalsContact C-N 3.26Å; S249-S251 PolarHBondContact O-N 3.13Å
250	C	96.4	Very high	97.3	Very high	14 Å²	14	24.7 Å²	24.7	10%	0.095	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-13.3	175.1	-60.6	0	0	0	0	113.3	P183 K186 Y187 V193 V247 G248	P183-C250 HydrophobicContact CG-CB 4.35Å; K186-C250 HydrophobicContact CD-CB 4.22Å; K186-C250 WeakPolarHBondContact CD-O 3.45Å; K186-C250 WeakPolarHBondContact CE-O 3.23Å; K186-C250 PolarHBondContact NZ-O 2.94Å; Y187-C250 HydrophobicContact CE2-CB 4.37Å; V193-C250 WeakPolarHBondContact CG2-O 3.28Å; V247-C250 WeakPolarHBondContact O-CB 3.38Å; V247-C250 PolarHBondContact O-N 3.04Å; G248-C250 PolarHBondContact O-N 3.25Å; G248-C250 VanDerWaalsContact O-N 3.11Å
251	S	96.9	Very high	97.3	Very high	6 Å²	6	24.3 Å²	24.3	4%	0.042	14%	0.136	C	C	.	.			trans	-62.7	136.1	-179.6	-71.8	0	0	0	0	112.8	L182 S195 G248 S249 V254	L182-S251 VanDerWaalsContact CD1-OG 3.31Å; L182-S251 WeakPolarHBondContact CD1-OG 3.38Å; S195-S251 PolarHBondContact OG-OG 3.33Å; S195-S251 VanDerWaalsContact OG-OG 3.13Å; G248-S251 WeakPolarHBondContact O-CB 3.46Å; G248-S251 PolarHBondContact O-N 3.36Å; G248-S251 VanDerWaalsContact O-N 3.12Å; G248-S251 PolarHBondContact O-OG 3.37Å; S249-S251 VanDerWaalsContact C-N 3.26Å; S249-S251 PolarHBondContact O-N 3.13Å; S251-V254 VanDerWaalsContact CB-CG2 3.44Å
252	D	97.9	Very high	97.3	Very high	59 Å²	59	25.5 Å²	25.5	32%	0.316	14%	0.141	S	C	.	.	S	Bend	trans	-79.2	-34.8	170.8	-62.4	-61.4	0	0	0	110.7	K186 R192 V193 C274 L490	K186-D252 IonicContact NZ-OD1 2.63Å; K186-D252 PolarHBondContact NZ-OD1 2.93Å; K186-D252 IonicContact NZ-OD2 3.38Å; K186-D252 PolarHBondContact NZ-OD2 2.69Å; R192-D252 WeakPolarHBondContact CA-OD2 3.13Å; V193-D252 WeakPolarHBondContact CG2-OD2 3.37Å; V193-D252 PolarHBondContact N-OD2 3.4Å; V193-D252 WeakPolarHBondContact O-CB 3.29Å; V193-D252 PolarHBondContact O-N 2.95Å; D252-C274 WeakPolarHBondContact O-CB 3.17Å; D252-L490 HydrophobicContact CB-CD2 3.59Å
253	I	97.9	Very high	97.2	Very high	5 Å²	5	23.4 Å²	23.4	3%	0.026	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	137.9	173.3	-65.7	-63.4	0	0	0	110.4	V193 G194 S195 M255 C274 K489 L490	V193-I253 PolarHBondContact O-N 3.41Å; G194-I253 CarbonylContact C-O 3.32Å; G194-I253 VanDerWaalsContact CA-O 3.25Å; G194-I253 WeakPolarHBondContact CA-O 3.16Å; S195-I253 PolarHBondContact N-O 3.14Å; I253-M255 HydrophobicContact CG2-CG 4.29Å; I253-C274 HydrophobicContact CD1-CB 4.35Å; I253-K489 HydrophobicContact CD1-CB 3.88Å; I253-K489 HydrophobicContact CD1-CD 3.4Å; I253-K489 VanDerWaalsContact CD1-CD 3.4Å; I253-K489 HydrophobicContact CD1-CG 4.27Å; I253-K489 HydrophobicContact CG1-CB 4.05Å; I253-K489 HydrophobicContact CG1-CD 4.43Å; I253-L490 HydrophobicContact CB-CD1 4.14Å; I253-L490 HydrophobicContact CB-CD2 4.17Å; I253-L490 HydrophobicContact CB-CG 4.15Å; I253-L490 HydrophobicContact CG1-CD1 4.38Å; I253-L490 HydrophobicContact CG1-CD2 3.75Å; I253-L490 HydrophobicContact CG1-CG 3.82Å
254	V	98.3	Very high	97.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126	173.7	-173.1	0	0	0	0	109.3	V197 S251 V256 I265 W269 V271 C274 T275 N276	V197-V254 HydrophobicContact CG2-CG1 4.27Å; S251-V254 VanDerWaalsContact CB-CG2 3.44Å; V254-V256 HydrophobicContact CG1-CG1 4.18Å; V254-I265 HydrophobicContact CG1-CG2 4.06Å; V254-W269 HydrophobicContact CG1-CE3 4.19Å; V254-W269 HydrophobicContact CG1-CZ3 3.88Å; V254-W269 HydrophobicContact CG2-CE3 3.96Å; V254-W269 HydrophobicContact CG2-CZ3 3.87Å; V254-V271 HydrophobicContact CG2-CG2 3.98Å; V254-C274 PolarHBondContact N-O 3.15Å; V254-T275 HydrophobicContact CB-CG2 4.17Å; V254-T275 HydrophobicContact CG1-CG2 4.14Å; V254-T275 CarbonylContact O-C 3.55Å; V254-T275 VanDerWaalsContact O-CA 3.28Å; V254-T275 WeakPolarHBondContact O-CA 3.46Å; V254-N276 PolarHBondContact O-N 3.45Å
255	M	98.5	Very high	97.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	134.9	172.1	-65.4	168.3	-78.8	0	0	108.1	S195 Y196 V197 I253 N276 V278 F483 M487	S195-M255 PolarHBondContact O-N 2.95Å; Y196-M255 CarbonylContact C-O 3.52Å; Y196-M255 WeakPolarHBondContact CA-O 3.33Å; Y196-M255 HydrophobicContact CD2-CB 3.69Å; Y196-M255 HydrophobicContact CD2-SD 4.4Å; Y196-M255 HydrophobicContact CE2-CB 4.31Å; Y196-M255 HydrophobicContact CG-CB 4.39Å; V197-M255 PolarHBondContact N-O 3.27Å; I253-M255 HydrophobicContact CG2-CG 4.29Å; M255-N276 CarbonylContact C-O 3.58Å; M255-N276 WeakPolarHBondContact CA-O 3.17Å; M255-V278 HydrophobicContact CB-CB 4.23Å; M255-V278 HydrophobicContact CB-CG2 3.98Å; M255-V278 HydrophobicContact CG-CB 4.47Å; M255-V278 HydrophobicContact CG-CG2 3.74Å; M255-V278 HydrophobicContact SD-CG2 4.19Å; M255-F483 HydrophobicContact CE-CD2 4.24Å; M255-F483 HydrophobicContact CE-CE2 3.71Å; M255-F483 HydrophobicContact CE-CZ 4.47Å; M255-F483 HydrophobicContact SD-CD2 3.51Å; M255-F483 VanDerWaalsContact SD-CD2 3.51Å; M255-F483 HydrophobicContact SD-CE2 3.64Å; M255-F483 HydrophobicContact SD-CG 4.46Å; M255-M487 HydrophobicContact CE-SD 3.98Å
256	V	97.9	Very high	97	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	144.2	178.7	-61.6	0	0	0	0	110.3	V197 V254 S258 T261 L262 I265 T275 N276 I277 V278	V197-V256 HydrophobicContact CB-CG1 4.39Å; V254-V256 HydrophobicContact CG1-CG1 4.18Å; V256-S258 VanDerWaalsContact C-N 3.31Å; V256-S258 PolarHBondContact O-N 3.22Å; V256-T261 HydrophobicContact CB-CG2 3.83Å; V256-T261 HydrophobicContact CG1-CG2 3.9Å; V256-L262 HydrophobicContact CG2-CB 3.76Å; V256-L262 HydrophobicContact CG2-CD1 3.95Å; V256-L262 HydrophobicContact CG2-CG 4.45Å; V256-I265 HydrophobicContact CG1-CB 4.27Å; V256-I265 HydrophobicContact CG1-CG1 3.95Å; V256-I265 HydrophobicContact CG1-CG2 4.46Å; V256-T275 HydrophobicContact CG1-CG2 4.04Å; V256-T275 HydrophobicContact CG2-CG2 4.44Å; V256-N276 PolarHBondContact N-O 3.08Å; V256-I277 HydrophobicContact CG2-CB 4.44Å; V256-I277 HydrophobicContact CG2-CG1 3.88Å; V256-I277 WeakPolarHBondContact O-CA 3.44Å; V256-V278 CarbonylContact O-C 3.58Å; V256-V278 PolarHBondContact O-N 3.19Å
257	N	96.8	Very high	96.9	Very high	8 Å²	8	22.5 Å²	22.5	4%	0.043	13%	0.133	C	C	.	.	S	Bend	trans	-78.2	-8.2	-174.1	68.9	-22.9	0	0	0	114.9	Y196 V197 H198 T261 Y279 P280 F400	Y196-N257 HydrophobicContact CE1-CB 4Å; V197-N257 PolarHBondContact O-N 3.09Å; V197-N257 PolarHBondContact O-OD1 2.75Å; H198-N257 PolarHBondContact O-ND2 3.12Å; H198-N257 PolarHBondContact O-OD1 3.2Å; N257-T261 VanDerWaalsContact OD1-CB 3.28Å; N257-T261 WeakPolarHBondContact OD1-CB 3.49Å; N257-T261 PolarHBondContact OD1-OG1 2.93Å; N257-Y279 WeakPolarHBondContact O-CD1 3.44Å; N257-P280 HydrophobicContact CB-CG 4.49Å; N257-P280 VanDerWaalsContact O-CD 3.3Å; N257-P280 WeakPolarHBondContact O-CD 3.43Å; N257-F400 WeakPolarHBondContact O-CD2 3.38Å
258	S	97.1	Very high	96.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-164.9	164.9	-174.2	70	0	0	0	0	112.3	V256 W260 T261 L262 H399 D425	V256-S258 VanDerWaalsContact C-N 3.31Å; V256-S258 PolarHBondContact O-N 3.22Å; S258-W260 VanDerWaalsContact C-N 3.26Å; S258-W260 PolarHBondContact O-N 3.12Å; S258-W260 PolarHBondContact OG-N 3.48Å; S258-T261 PolarHBondContact O-N 3.44Å; S258-T261 PolarHBondContact OG-N 2.74Å; S258-T261 PolarHBondContact OG-OG1 2.98Å; S258-L262 WeakPolarHBondContact O-CB 3.3Å; S258-L262 PolarHBondContact O-N 2.92Å; S258-H399 WeakPolarHBondContact CB-O 3.4Å; S258-H399 PolarHBondContact OG-O 3.43Å; S258-D425 VanDerWaalsContact CB-OD2 3.31Å; S258-D425 WeakPolarHBondContact CB-OD2 3.45Å
259	S	97.2	Very high	96.9	Very high	29 Å²	29	22.7 Å²	22.7	20%	0.203	13%	0.133	C	C	.	.	H	α-helix	trans	-65.4	-31.4	170.7	-62.9	0	0	0	0	111.9	L262 N263 I277 D425	S259-L262 WeakPolarHBondContact O-CB 3.17Å; S259-L262 PolarHBondContact O-N 3.05Å; S259-N263 VanDerWaalsContact O-CG 3.28Å; S259-N263 PolarHBondContact O-N 3.25Å; S259-N263 PolarHBondContact O-ND2 2.75Å; S259-I277 WeakPolarHBondContact OG-CD1 3.23Å; S259-D425 WeakPolarHBondContact CB-OD1 3.48Å; S259-D425 PolarHBondContact N-OD1 3.2Å; S259-D425 VanDerWaalsContact N-OD1 3.1Å; S259-D425 PolarHBondContact N-OD2 2.77Å; S259-D425 PolarHBondContact OG-OD1 3.02Å
260	W	95.5	Very high	96.7	Very high	13 Å²	13	28.2 Å²	28.2	5%	0.049	15%	0.15	C	C	.	.	H	α-helix	trans	-60.8	-50.1	173.4	-179.6	83.2	0	0	0	111.1	Y199 D205 S258 L262 N263 H264 N397 H399 L424	Y199-W260 AromaticContact CD2-CH2 3.76Å; Y199-W260 HydrophobicContact CD2-CH2 3.76Å; Y199-W260 AromaticContact CD2-CZ3 3.9Å; Y199-W260 HydrophobicContact CD2-CZ3 3.9Å; Y199-W260 AromaticContact CE2-CH2 3.66Å; Y199-W260 HydrophobicContact CE2-CH2 3.66Å; Y199-W260 HydrophobicContact CE2-CZ3 4.29Å; D205-W260 WeakPolarHBondContact OD2-CZ2 3.27Å; D205-W260 PolarHBondContact OD2-NE1 3.24Å; D205-W260 VanDerWaalsContact OD2-NE1 3.09Å; S258-W260 VanDerWaalsContact C-N 3.26Å; S258-W260 PolarHBondContact O-N 3.12Å; S258-W260 PolarHBondContact OG-N 3.48Å; W260-L262 VanDerWaalsContact C-N 3.33Å; W260-L262 PolarHBondContact O-N 2.99Å; W260-N263 PolarHBondContact O-N 2.91Å; W260-H264 AromaticContact CD1-NE2 3.93Å; W260-H264 AromaticContact CD2-CD2 3.67Å; W260-H264 AromaticContact CD2-NE2 3.76Å; W260-H264 AromaticContact CE2-CD2 3.43Å; W260-H264 VanDerWaalsContact CE2-CD2 3.43Å; W260-H264 AromaticContact CE2-NE2 3.06Å; W260-H264 AromaticContact CE3-CD2 3.9Å; W260-H264 AromaticContact CH2-CD2 3.62Å; W260-H264 AromaticContact CH2-NE2 3.75Å; W260-H264 AromaticContact CZ2-CD2 3.44Å; W260-H264 VanDerWaalsContact CZ2-CD2 3.44Å; W260-H264 WeakPolarHBondContact CZ2-CD2 3.28Å; W260-H264 AromaticContact CZ2-NE2 3.08Å; W260-H264 WeakPolarHBondContact CZ2-NE2 3.28Å; W260-H264 AromaticContact CZ3-CD2 3.87Å; W260-H264 AromaticContact NE1-CD2 3.91Å; W260-H264 AromaticContact NE1-NE2 3.21Å; W260-H264 PolarHBondContact NE1-NE2 2.97Å; W260-H264 PolarHBondContact O-CD2 3.28Å; W260-H264 PolarHBondContact O-N 3.45Å; W260-N397 HydrophobicContact CZ2-CB 4.07Å; W260-H399 HydrophobicContact CE3-CB 4.04Å; W260-H399 AromaticContact CE3-ND1 3.86Å; W260-H399 AromaticContact CH2-ND1 3.46Å; W260-H399 WeakPolarHBondContact CH2-ND1 3.5Å; W260-H399 HydrophobicContact CZ3-CB 4.03Å; W260-H399 AromaticContact CZ3-CG 3.84Å; W260-H399 AromaticContact CZ3-ND1 3.21Å; W260-H399 WeakPolarHBondContact CZ3-ND1 3.2Å; W260-L424 HydrophobicContact CB-CD1 3.92Å
261	T	96.1	Very high	96.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65.7	-38.7	178.3	-59.9	0	0	0	0	111	V197 P200 V256 N257 S258 N263 H264 I265	V197-T261 HydrophobicContact CB-CG2 4.17Å; V197-T261 HydrophobicContact CG1-CG2 3.85Å; P200-T261 HydrophobicContact CG-CG2 4.2Å; V256-T261 HydrophobicContact CB-CG2 3.83Å; V256-T261 HydrophobicContact CG1-CG2 3.9Å; N257-T261 VanDerWaalsContact OD1-CB 3.28Å; N257-T261 WeakPolarHBondContact OD1-CB 3.49Å; N257-T261 PolarHBondContact OD1-OG1 2.93Å; S258-T261 PolarHBondContact O-N 3.44Å; S258-T261 PolarHBondContact OG-N 2.74Å; S258-T261 PolarHBondContact OG-OG1 2.98Å; T261-N263 VanDerWaalsContact C-N 3.34Å; T261-N263 PolarHBondContact O-N 2.87Å; T261-H264 PolarHBondContact O-N 3.46Å; T261-I265 HydrophobicContact CG2-CG1 4.17Å; T261-I265 WeakPolarHBondContact O-CG1 3.17Å; T261-I265 PolarHBondContact O-N 3.45Å
262	L	97.1	Very high	96.5	Very high	33 Å²	33	29.6 Å²	29.6	17%	0.173	17%	0.166	C	C	.	.	H	α-helix	trans	-51.9	-53.3	174.5	-178.9	64.5	0	0	0	111.2	V256 S258 S259 W260 H264 I265 L266 T275 I277	V256-L262 HydrophobicContact CG2-CB 3.76Å; V256-L262 HydrophobicContact CG2-CD1 3.95Å; V256-L262 HydrophobicContact CG2-CG 4.45Å; S258-L262 WeakPolarHBondContact O-CB 3.3Å; S258-L262 PolarHBondContact O-N 2.92Å; S259-L262 WeakPolarHBondContact O-CB 3.17Å; S259-L262 PolarHBondContact O-N 3.05Å; W260-L262 VanDerWaalsContact C-N 3.33Å; W260-L262 PolarHBondContact O-N 2.99Å; L262-H264 VanDerWaalsContact C-N 3.31Å; L262-H264 PolarHBondContact O-N 2.93Å; L262-I265 PolarHBondContact O-N 2.92Å; L262-I265 VanDerWaalsContact O-N 3.13Å; L262-L266 HydrophobicContact CD1-CD1 3.97Å; L262-L266 HydrophobicContact CD1-CD2 4.24Å; L262-L266 HydrophobicContact CD1-CG 3.9Å; L262-L266 HydrophobicContact CD2-CD1 4.32Å; L262-L266 HydrophobicContact CG-CD1 3.82Å; L262-L266 HydrophobicContact CG-CG 4.11Å; L262-L266 VanDerWaalsContact O-CG 3.31Å; L262-L266 WeakPolarHBondContact O-CG 3.48Å; L262-L266 PolarHBondContact O-N 3.36Å; L262-T275 HydrophobicContact CD1-CG2 3.45Å; L262-T275 VanDerWaalsContact CD1-CG2 3.45Å; L262-I277 HydrophobicContact CB-CD1 4.43Å; L262-I277 HydrophobicContact CB-CG1 4.23Å; L262-I277 HydrophobicContact CD2-CD1 3.71Å; L262-I277 HydrophobicContact CD2-CG1 3.87Å; L262-I277 HydrophobicContact CG-CG1 4.43Å
263	N	95.8	Very high	96.4	Very high	91 Å²	91	34.3 Å²	34.3	49%	0.487	19%	0.186	S	C	.	.	H	α-helix	trans	-59.7	-40.9	-176	-70.9	-28.4	0	0	0	112.4	S259 W260 T261 S267	S259-N263 VanDerWaalsContact O-CG 3.28Å; S259-N263 PolarHBondContact O-N 3.25Å; S259-N263 PolarHBondContact O-ND2 2.75Å; W260-N263 PolarHBondContact O-N 2.91Å; T261-N263 VanDerWaalsContact C-N 3.34Å; T261-N263 PolarHBondContact O-N 2.87Å; N263-S267 WeakPolarHBondContact O-CB 3.27Å; N263-S267 PolarHBondContact O-N 2.92Å; N263-S267 VanDerWaalsContact O-N 3.1Å
264	H	95.7	Very high	96.3	Very high	6 Å²	6	34.4 Å²	34.4	3%	0.028	19%	0.187	C	C	.	.	H	α-helix	trans	-65.2	-45.4	175.1	-70.9	-62.9	0	0	0	112.1	P200 T204 D205 W260 T261 L262 S267 L268	P200-H264 HydrophobicContact CG-CB 3.8Å; T204-H264 PolarHBondContact N-ND1 3.07Å; T204-H264 PolarHBondContact OG1-CE1 3.39Å; T204-H264 PolarHBondContact OG1-ND1 2.73Å; D205-H264 IonicContact OD1-CE1 3.93Å; D205-H264 IonicContact OD2-CE1 2.84Å; D205-H264 PolarHBondContact OD2-CE1 3.42Å; D205-H264 IonicContact OD2-NE2 3.01Å; D205-H264 PolarHBondContact OD2-NE2 3.23Å; W260-H264 AromaticContact CD1-NE2 3.93Å; W260-H264 AromaticContact CD2-CD2 3.67Å; W260-H264 AromaticContact CD2-NE2 3.76Å; W260-H264 AromaticContact CE2-CD2 3.43Å; W260-H264 VanDerWaalsContact CE2-CD2 3.43Å; W260-H264 AromaticContact CE2-NE2 3.06Å; W260-H264 AromaticContact CE3-CD2 3.9Å; W260-H264 AromaticContact CH2-CD2 3.62Å; W260-H264 AromaticContact CH2-NE2 3.75Å; W260-H264 AromaticContact CZ2-CD2 3.44Å; W260-H264 VanDerWaalsContact CZ2-CD2 3.44Å; W260-H264 WeakPolarHBondContact CZ2-CD2 3.28Å; W260-H264 AromaticContact CZ2-NE2 3.08Å; W260-H264 WeakPolarHBondContact CZ2-NE2 3.28Å; W260-H264 AromaticContact CZ3-CD2 3.87Å; W260-H264 AromaticContact NE1-CD2 3.91Å; W260-H264 AromaticContact NE1-NE2 3.21Å; W260-H264 PolarHBondContact NE1-NE2 2.97Å; W260-H264 PolarHBondContact O-CD2 3.28Å; W260-H264 PolarHBondContact O-N 3.45Å; T261-H264 PolarHBondContact O-N 3.46Å; L262-H264 VanDerWaalsContact C-N 3.31Å; L262-H264 PolarHBondContact O-N 2.93Å; H264-S267 PolarHBondContact O-N 2.87Å; H264-L268 HydrophobicContact CB-CD1 4.41Å; H264-L268 VanDerWaalsContact O-CB 3.29Å; H264-L268 WeakPolarHBondContact O-CB 3.34Å; H264-L268 WeakPolarHBondContact O-CD1 3.33Å; H264-L268 WeakPolarHBondContact O-CG 3.4Å; H264-L268 PolarHBondContact O-N 3.07Å
265	I	96.4	Very high	96.3	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.6	-41.9	-179.7	-69	-58.7	0	0	0	111.7	V197 P200 V254 V256 T261 L262 S267 L268 W269 K270 T275	V197-I265 HydrophobicContact CG1-CD1 4.16Å; V197-I265 HydrophobicContact CG1-CG1 4.42Å; V197-I265 HydrophobicContact CG2-CD1 4.35Å; P200-I265 HydrophobicContact CB-CD1 4.28Å; P200-I265 HydrophobicContact CG-CD1 4.17Å; P200-I265 HydrophobicContact CG-CG1 4.42Å; V254-I265 HydrophobicContact CG1-CG2 4.06Å; V256-I265 HydrophobicContact CG1-CB 4.27Å; V256-I265 HydrophobicContact CG1-CG1 3.95Å; V256-I265 HydrophobicContact CG1-CG2 4.46Å; T261-I265 HydrophobicContact CG2-CG1 4.17Å; T261-I265 WeakPolarHBondContact O-CG1 3.17Å; T261-I265 PolarHBondContact O-N 3.45Å; L262-I265 PolarHBondContact O-N 2.92Å; L262-I265 VanDerWaalsContact O-N 3.13Å; I265-S267 VanDerWaalsContact C-N 3.31Å; I265-S267 PolarHBondContact O-N 3.42Å; I265-L268 PolarHBondContact O-N 2.93Å; I265-W269 HydrophobicContact CD1-CD2 3.82Å; I265-W269 HydrophobicContact CD1-CE3 4.26Å; I265-W269 HydrophobicContact CD1-CG 4.26Å; I265-W269 HydrophobicContact CD1-CH2 4.42Å; I265-W269 HydrophobicContact CD1-CZ2 4Å; I265-W269 HydrophobicContact CG2-CB 4.27Å; I265-W269 HydrophobicContact CG2-CD2 4.13Å; I265-W269 HydrophobicContact CG2-CE3 4Å; I265-W269 HydrophobicContact CG2-CG 4.28Å; I265-W269 WeakPolarHBondContact O-CB 3.36Å; I265-W269 PolarHBondContact O-N 3.48Å; I265-K270 PolarHBondContact O-N 3.5Å; I265-T275 HydrophobicContact CG2-CG2 4.18Å
266	L	96.2	Very high	96.2	Very high	63 Å²	63	37.6 Å²	37.6	33%	0.33	20%	0.204	S	C	.	.	H	α-helix	trans	-60.9	-42	175.1	-67.8	-177.9	0	0	0	111.5	L262 K270	L262-L266 HydrophobicContact CD1-CD1 3.97Å; L262-L266 HydrophobicContact CD1-CD2 4.24Å; L262-L266 HydrophobicContact CD1-CG 3.9Å; L262-L266 HydrophobicContact CD2-CD1 4.32Å; L262-L266 HydrophobicContact CG-CD1 3.82Å; L262-L266 HydrophobicContact CG-CG 4.11Å; L262-L266 VanDerWaalsContact O-CG 3.31Å; L262-L266 WeakPolarHBondContact O-CG 3.48Å; L262-L266 PolarHBondContact O-N 3.36Å; L266-K270 WeakPolarHBondContact O-CA 3.34Å; L266-K270 PolarHBondContact O-N 3.48Å
267	S	95.7	Very high	96.2	Very high	71 Å²	71	40 Å²	40	50%	0.497	22%	0.217	S	C	.	.	H	α-helix	trans	-68.4	-37.7	177.8	-176.8	0	0	0	0	113.2	N263 H264 I265	N263-S267 WeakPolarHBondContact O-CB 3.27Å; N263-S267 PolarHBondContact O-N 2.92Å; N263-S267 VanDerWaalsContact O-N 3.1Å; H264-S267 PolarHBondContact O-N 2.87Å; I265-S267 VanDerWaalsContact C-N 3.31Å; I265-S267 PolarHBondContact O-N 3.42Å
268	L	96.3	Very high	96.3	Very high	18 Å²	18	39.7 Å²	39.7	9%	0.094	22%	0.215	C	C	.	.	H	α-helix	trans	-92.7	-52.1	-170.5	-67.5	166.8	0	0	0	112.2	I202 T204 A241 Y244 G245 H264 I265	I202-L268 WeakPolarHBondContact O-CD1 3.42Å; T204-L268 HydrophobicContact CG2-CD2 4.4Å; T204-L268 HydrophobicContact CG2-CG 4.35Å; A241-L268 HydrophobicContact CB-CD2 3.95Å; Y244-L268 HydrophobicContact CD1-CB 4.5Å; Y244-L268 HydrophobicContact CD1-CD1 4.32Å; Y244-L268 HydrophobicContact CE1-CD1 4.24Å; G245-L268 WeakPolarHBondContact CA-O 3.42Å; H264-L268 HydrophobicContact CB-CD1 4.41Å; H264-L268 VanDerWaalsContact O-CB 3.29Å; H264-L268 WeakPolarHBondContact O-CB 3.34Å; H264-L268 WeakPolarHBondContact O-CD1 3.33Å; H264-L268 WeakPolarHBondContact O-CG 3.4Å; H264-L268 PolarHBondContact O-N 3.07Å; I265-L268 PolarHBondContact O-N 2.93Å
269	W	97.3	Very high	96.3	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.015	23%	0.225	C	C	.	.	H	α-helix	trans	-88	-21.3	-174.5	-64.1	7.3	0	0	0	112.8	A179 L182 V197 Y244 G248 V254 I265 V271	A179-W269 HydrophobicContact CB-CH2 3.95Å; A179-W269 HydrophobicContact CB-CZ2 3.57Å; L182-W269 HydrophobicContact CD1-CH2 4.3Å; V197-W269 HydrophobicContact CG2-CH2 3.82Å; V197-W269 HydrophobicContact CG2-CZ3 4.22Å; Y244-W269 AromaticContact CD1-CD1 3.94Å; Y244-W269 AromaticContact CD1-NE1 3.35Å; Y244-W269 AromaticContact CD2-NE1 3.95Å; Y244-W269 AromaticContact CE1-CD1 3.89Å; Y244-W269 AromaticContact CE1-CE2 3.93Å; Y244-W269 HydrophobicContact CE1-CZ2 4.32Å; Y244-W269 AromaticContact CE1-NE1 3.02Å; Y244-W269 AromaticContact CE2-CZ2 3.84Å; Y244-W269 HydrophobicContact CE2-CZ2 3.84Å; Y244-W269 AromaticContact CE2-NE1 3.66Å; Y244-W269 AromaticContact CG-NE1 3.82Å; Y244-W269 AromaticContact CZ-CE2 3.67Å; Y244-W269 AromaticContact CZ-CZ2 3.6Å; Y244-W269 AromaticContact CZ-NE1 3.19Å; Y244-W269 WeakPolarHBondContact OH-CZ2 3.35Å; G248-W269 VanDerWaalsContact CA-CD2 3.44Å; V254-W269 HydrophobicContact CG1-CE3 4.19Å; V254-W269 HydrophobicContact CG1-CZ3 3.88Å; V254-W269 HydrophobicContact CG2-CE3 3.96Å; V254-W269 HydrophobicContact CG2-CZ3 3.87Å; I265-W269 HydrophobicContact CD1-CD2 3.82Å; I265-W269 HydrophobicContact CD1-CE3 4.26Å; I265-W269 HydrophobicContact CD1-CG 4.26Å; I265-W269 HydrophobicContact CD1-CH2 4.42Å; I265-W269 HydrophobicContact CD1-CZ2 4Å; I265-W269 HydrophobicContact CG2-CB 4.27Å; I265-W269 HydrophobicContact CG2-CD2 4.13Å; I265-W269 HydrophobicContact CG2-CE3 4Å; I265-W269 HydrophobicContact CG2-CG 4.28Å; I265-W269 WeakPolarHBondContact O-CB 3.36Å; I265-W269 PolarHBondContact O-N 3.48Å; W269-V271 HydrophobicContact CB-CG2 3.75Å; W269-V271 HydrophobicContact CE3-CG2 4.28Å; W269-V271 PolarHBondContact O-N 2.94Å
270	K	94.4	Very high	96.3	Very high	173 Å²	173	40.9 Å²	40.9	75%	0.752	22%	0.216	S	C	*	.			trans	57.2	34	177.3	-54.8	-178.7	-179.8	-179.7	0	114	I265 L266	I265-K270 PolarHBondContact O-N 3.5Å; L266-K270 WeakPolarHBondContact O-CA 3.34Å; L266-K270 PolarHBondContact O-N 3.48Å
271	V	94.6	Very high	96.2	Very high	6 Å²	6	40.2 Å²	40.2	4%	0.036	21%	0.214	C	C	.	.			trans	-113	44.6	-178.1	-71.8	0	0	0	0	113.2	V254 W269 H273 C274 T275	V254-V271 HydrophobicContact CG2-CG2 3.98Å; W269-V271 HydrophobicContact CB-CG2 3.75Å; W269-V271 HydrophobicContact CE3-CG2 4.28Å; W269-V271 PolarHBondContact O-N 2.94Å; V271-H273 PolarHBondContact O-N 2.86Å; V271-H273 VanDerWaalsContact O-N 3.11Å; V271-C274 PolarHBondContact O-N 3.21Å; V271-C274 VanDerWaalsContact O-N 3.11Å; V271-T275 PolarHBondContact O-N 3.39Å; V271-T275 PolarHBondContact O-OG1 3.27Å
272	G	94.3	Very high	95.9	Very high	43 Å²	43	40.3 Å²	40.3	44%	0.443	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-58.7	-26.4	-178.2	0	0	0	0	0	114.8	C274	G272-C274 PolarHBondContact O-N 2.96Å
273	H	95.2	Very high	95.2	Very high	158 Å²	158	40.5 Å²	40.5	73%	0.731	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-67.4	-20	178.7	68.1	-85.4	0	0	0	114.3	V271	V271-H273 PolarHBondContact O-N 2.86Å; V271-H273 VanDerWaalsContact O-N 3.11Å
274	C	96.2	Very high	94.7	Very high	6 Å²	6	36.6 Å²	36.6	4%	0.041	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-126.5	14.4	-179.6	70.6	0	0	0	0	113.5	D252 I253 V254 V271 G272	D252-C274 WeakPolarHBondContact O-CB 3.17Å; I253-C274 HydrophobicContact CD1-CB 4.35Å; V254-C274 PolarHBondContact N-O 3.15Å; V271-C274 PolarHBondContact O-N 3.21Å; V271-C274 VanDerWaalsContact O-N 3.11Å; G272-C274 PolarHBondContact O-N 2.96Å
275	T	98	Very high	94.2	Very high	13 Å²	13	41.4 Å²	41.4	8%	0.08	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	124.4	-179.5	-54.2	0	0	0	0	111.4	V254 V256 L262 I265 V271	V254-T275 HydrophobicContact CB-CG2 4.17Å; V254-T275 HydrophobicContact CG1-CG2 4.14Å; V254-T275 CarbonylContact O-C 3.55Å; V254-T275 VanDerWaalsContact O-CA 3.28Å; V254-T275 WeakPolarHBondContact O-CA 3.46Å; V256-T275 HydrophobicContact CG1-CG2 4.04Å; V256-T275 HydrophobicContact CG2-CG2 4.44Å; L262-T275 HydrophobicContact CD1-CG2 3.45Å; L262-T275 VanDerWaalsContact CD1-CG2 3.45Å; I265-T275 HydrophobicContact CG2-CG2 4.18Å; V271-T275 PolarHBondContact O-N 3.39Å; V271-T275 PolarHBondContact O-OG1 3.27Å
276	N	97.4	Very high	93.7	Very high	54 Å²	54	43 Å²	43	29%	0.289	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143.9	178.3	-58.9	-35.9	0	0	0	111.2	V254 M255 V256 S486	V254-N276 PolarHBondContact O-N 3.45Å; M255-N276 CarbonylContact C-O 3.58Å; M255-N276 WeakPolarHBondContact CA-O 3.17Å; V256-N276 PolarHBondContact N-O 3.08Å; N276-S486 PolarHBondContact ND2-OG 2.67Å
277	I	97.8	Very high	93.3	Very high	52 Å²	52	40 Å²	40	27%	0.267	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	127.8	166.4	-63.5	173.3	0	0	0	108.6	V256 S259 L262 Y279	V256-I277 HydrophobicContact CG2-CB 4.44Å; V256-I277 HydrophobicContact CG2-CG1 3.88Å; V256-I277 WeakPolarHBondContact O-CA 3.44Å; S259-I277 WeakPolarHBondContact OG-CD1 3.23Å; L262-I277 HydrophobicContact CB-CD1 4.43Å; L262-I277 HydrophobicContact CB-CG1 4.23Å; L262-I277 HydrophobicContact CD2-CD1 3.71Å; L262-I277 HydrophobicContact CD2-CG1 3.87Å; L262-I277 HydrophobicContact CG-CG1 4.43Å; I277-Y279 HydrophobicContact CG2-CD1 3.83Å; I277-Y279 HydrophobicContact CG2-CD2 4.2Å; I277-Y279 HydrophobicContact CG2-CE1 3.58Å; I277-Y279 HydrophobicContact CG2-CE2 3.96Å; I277-Y279 HydrophobicContact CG2-CG 4.13Å
278	V	98	Very high	93.1	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	20%	0.199	C	C	.	.			trans	-133.4	90.9	170.9	-179.1	0	0	0	0	106.3	Y196 M255 V256 F479 A482 F483	Y196-V278 HydrophobicContact CE2-CB 3.95Å; Y196-V278 HydrophobicContact CE2-CG1 3.94Å; Y196-V278 WeakPolarHBondContact CE2-O 3.5Å; Y196-V278 VanDerWaalsContact CZ-O 3.31Å; Y196-V278 PolarHBondContact OH-O 3.21Å; M255-V278 HydrophobicContact CB-CB 4.23Å; M255-V278 HydrophobicContact CB-CG2 3.98Å; M255-V278 HydrophobicContact CG-CB 4.47Å; M255-V278 HydrophobicContact CG-CG2 3.74Å; M255-V278 HydrophobicContact SD-CG2 4.19Å; V256-V278 CarbonylContact O-C 3.58Å; V256-V278 PolarHBondContact O-N 3.19Å; V278-F479 HydrophobicContact CG1-CD2 3.65Å; V278-F479 HydrophobicContact CG1-CE2 3.78Å; V278-A482 HydrophobicContact CG1-CB 4.14Å; V278-A482 HydrophobicContact CG2-CB 4.27Å; V278-F483 HydrophobicContact CG1-CB 4.09Å
279	Y	97.5	Very high	92.8	Very high	50 Å²	50	43 Å²	43	20%	0.196	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-56.2	144.2	-178.8	-64.3	-61.5	0	0	0	111.4	N257 I277 F400 D425 F474 F479	N257-Y279 WeakPolarHBondContact O-CD1 3.44Å; I277-Y279 HydrophobicContact CG2-CD1 3.83Å; I277-Y279 HydrophobicContact CG2-CD2 4.2Å; I277-Y279 HydrophobicContact CG2-CE1 3.58Å; I277-Y279 HydrophobicContact CG2-CE2 3.96Å; I277-Y279 HydrophobicContact CG2-CG 4.13Å; Y279-F400 HydrophobicContact CD1-CD2 4.05Å; Y279-F400 AromaticContact CD1-CE2 3.51Å; Y279-F400 HydrophobicContact CD1-CE2 3.51Å; Y279-F400 HydrophobicContact CD1-CZ 4.46Å; Y279-F400 HydrophobicContact CE1-CE2 4.24Å; Y279-F400 HydrophobicContact CG-CE2 4.17Å; Y279-D425 HydrophobicContact CE1-CB 3.87Å; Y279-D425 PolarHBondContact OH-OD1 2.92Å; Y279-D425 VanDerWaalsContact OH-OD1 3.11Å; Y279-F474 HydrophobicContact CD1-CD1 4.19Å; Y279-F474 AromaticContact CD1-CE1 3.76Å; Y279-F474 HydrophobicContact CD1-CE1 3.76Å; Y279-F474 AromaticContact CD2-CD1 3.9Å; Y279-F474 HydrophobicContact CD2-CD1 3.9Å; Y279-F474 AromaticContact CD2-CE1 3.78Å; Y279-F474 HydrophobicContact CD2-CE1 3.78Å; Y279-F474 HydrophobicContact CE1-CE1 4.03Å; Y279-F474 HydrophobicContact CE2-CE1 4.06Å; Y279-F474 AromaticContact CG-CD1 3.68Å; Y279-F474 HydrophobicContact CG-CD1 3.68Å; Y279-F474 AromaticContact CG-CE1 3.63Å; Y279-F474 HydrophobicContact CG-CE1 3.63Å; Y279-F479 WeakPolarHBondContact O-CD2 3.49Å
280	P	96.3	Very high	92.5	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.019	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-67.3	144.9	-177.1	30.1	-34	0	0	0	110.1	V81 Y196 N257 C282 F400 I402	V81-P280 HydrophobicContact CG2-CB 3.76Å; Y196-P280 WeakPolarHBondContact OH-CA 3.39Å; N257-P280 HydrophobicContact CB-CG 4.49Å; N257-P280 VanDerWaalsContact O-CD 3.3Å; N257-P280 WeakPolarHBondContact O-CD 3.43Å; P280-C282 PolarHBondContact O-N 3.25Å; P280-C282 PolarHBondContact O-SG 2.92Å; P280-F400 HydrophobicContact CG-CB 4.2Å; P280-F400 HydrophobicContact CG-CD1 3.14Å; P280-F400 HydrophobicContact CG-CD2 4.13Å; P280-F400 HydrophobicContact CG-CE1 3.37Å; P280-F400 HydrophobicContact CG-CE2 4.32Å; P280-F400 HydrophobicContact CG-CG 3.54Å; P280-F400 HydrophobicContact CG-CZ 3.96Å; P280-I402 HydrophobicContact CB-CD1 4.39Å; P280-I402 HydrophobicContact CG-CD1 4.48Å; P280-I402 HydrophobicContact CG-CG1 4.23Å
281	P	94	Very high	92.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-70.6	118.9	-177	30.6	-31.9	0	0	0	109.2	R80 V81 C84 D476 F479	R80-P281 VanDerWaalsContact NH1-C 3.33Å; R80-P281 PolarHBondContact NH1-O 3.05Å; V81-P281 HydrophobicContact CG2-CG 4.28Å; C84-P281 HydrophobicContact CB-CB 4.18Å; C84-P281 HydrophobicContact CB-CG 3.64Å; P281-D476 WeakPolarHBondContact CB-OD1 3.04Å; P281-F479 HydrophobicContact CB-CB 3.63Å; P281-F479 HydrophobicContact CB-CD1 3.69Å; P281-F479 HydrophobicContact CB-CD2 4.23Å; P281-F479 HydrophobicContact CB-CE1 4.43Å; P281-F479 HydrophobicContact CB-CG 3.56Å; P281-F479 HydrophobicContact CG-CB 4.39Å; P281-F479 HydrophobicContact CG-CD1 3.75Å; P281-F479 HydrophobicContact CG-CD2 4.09Å; P281-F479 HydrophobicContact CG-CE1 3.99Å; P281-F479 HydrophobicContact CG-CE2 4.28Å; P281-F479 HydrophobicContact CG-CG 3.79Å; P281-F479 HydrophobicContact CG-CZ 4.23Å
282	C	90.3	Very high	92	Very high	1 Å²	1	41 Å²	41	1%	0.007	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-105.8	133.2	175.6	-59.1	0	0	0	0	109	P280 V284 V405 F474	P280-C282 PolarHBondContact O-N 3.25Å; P280-C282 PolarHBondContact O-SG 2.92Å; C282-V284 HydrophobicContact CB-CG1 3.83Å; C282-V284 PolarHBondContact O-N 3.4Å; C282-V405 HydrophobicContact CB-CG1 4.04Å; C282-F474 HydrophobicContact CB-CB 4.38Å; C282-F474 WeakPolarHBondContact CB-O 3.44Å; C282-F474 PolarHBondContact N-O 3.34Å
283	D	81.8	Confident	91.5	Very high	38 Å²	38	44.3 Å²	44.3	20%	0.203	23%	0.227	C	C	.	.			trans	-75.9	70.9	172.8	-175.5	19.8	0	0	0	110.4	T286 F287	D283-T286 VanDerWaalsContact CG-OG1 3.29Å; D283-T286 PolarHBondContact OD1-OG1 3.13Å; D283-T286 WeakPolarHBondContact OD2-CB 3.43Å; D283-T286 PolarHBondContact OD2-OG1 2.99Å; D283-F287 VanDerWaalsContact O-CD2 3.23Å; D283-F287 WeakPolarHBondContact O-CD2 3.46Å
284	V	85	Confident	90.6	Very high	8 Å²	8	41.4 Å²	41.4	5%	0.048	21%	0.214	C	C	.	.			trans	-71.9	-30.7	-176.3	-65.2	0	0	0	0	112.2	C282 T286 F287 L288 V405 A409 I471	C282-V284 HydrophobicContact CB-CG1 3.83Å; C282-V284 PolarHBondContact O-N 3.4Å; V284-T286 VanDerWaalsContact C-N 3.34Å; V284-T286 PolarHBondContact O-N 2.88Å; V284-F287 PolarHBondContact O-N 3.49Å; V284-F287 VanDerWaalsContact O-N 3.13Å; V284-L288 HydrophobicContact CB-CD1 4.21Å; V284-L288 HydrophobicContact CG2-CD1 4.09Å; V284-L288 WeakPolarHBondContact O-CB 3.21Å; V284-L288 VanDerWaalsContact O-CG 3.29Å; V284-L288 WeakPolarHBondContact O-CG 3.29Å; V284-L288 PolarHBondContact O-N 3.3Å; V284-V405 HydrophobicContact CG1-CG1 3.74Å; V284-A409 HydrophobicContact CB-CB 4.32Å; V284-A409 HydrophobicContact CG1-CB 4.46Å; V284-I471 HydrophobicContact CB-CD1 4.09Å; V284-I471 HydrophobicContact CG1-CD1 4Å
285	Q	86.8	Confident	89.3	Confident	107 Å²	107	48.4 Å²	48.4	50%	0.5	24%	0.243	S	C	.	.	H	α-helix	trans	-60.6	-46.4	-172.1	-172.1	61.1	51.5	0	0	111.1	F287 L288 D289	Q285-F287 PolarHBondContact O-N 3.3Å; Q285-F287 VanDerWaalsContact O-N 3.09Å; Q285-L288 PolarHBondContact O-N 3.4Å; Q285-D289 PolarHBondContact NE2-OD1 3.07Å; Q285-D289 PolarHBondContact O-N 3.36Å
286	T	84.4	Confident	87.8	Confident	34 Å²	34	51.6 Å²	51.6	21%	0.209	26%	0.256	C	S	.	.	H	α-helix	trans	-60.5	-26	-178.3	-52.5	0	0	0	0	113.4	D283 V284 F378 K382	D283-T286 VanDerWaalsContact CG-OG1 3.29Å; D283-T286 PolarHBondContact OD1-OG1 3.13Å; D283-T286 WeakPolarHBondContact OD2-CB 3.43Å; D283-T286 PolarHBondContact OD2-OG1 2.99Å; V284-T286 VanDerWaalsContact C-N 3.34Å; V284-T286 PolarHBondContact O-N 2.88Å; T286-F378 HydrophobicContact CG2-CE1 3.58Å; T286-F378 HydrophobicContact CG2-CZ 3.8Å; T286-K382 HydrophobicContact CG2-CD 3.86Å; T286-K382 VanDerWaalsContact CG2-NZ 3.28Å; T286-K382 WeakPolarHBondContact O-CE 3.41Å; T286-K382 PolarHBondContact O-NZ 3.39Å
287	F	89.2	Confident	86.3	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-93.1	-31.9	174.9	-63	-68.7	0	0	0	113	D283 V284 Q285 D289 I290 F378 K382 L385 E406 A409 A410	D283-F287 VanDerWaalsContact O-CD2 3.23Å; D283-F287 WeakPolarHBondContact O-CD2 3.46Å; V284-F287 PolarHBondContact O-N 3.49Å; V284-F287 VanDerWaalsContact O-N 3.13Å; Q285-F287 PolarHBondContact O-N 3.3Å; Q285-F287 VanDerWaalsContact O-N 3.09Å; F287-D289 PolarHBondContact O-N 2.91Å; F287-I290 HydrophobicContact CD1-CD1 4.18Å; F287-I290 VanDerWaalsContact O-CB 3.28Å; F287-I290 WeakPolarHBondContact O-CB 3.49Å; F287-I290 WeakPolarHBondContact O-CG1 3.05Å; F287-I290 PolarHBondContact O-N 3.32Å; F287-I290 VanDerWaalsContact O-N 3.14Å; F287-F378 HydrophobicContact CE1-CE2 4.36Å; F287-F378 HydrophobicContact CE1-CZ 4.36Å; F287-F378 HydrophobicContact CE2-CE2 4.12Å; F287-F378 HydrophobicContact CE2-CZ 4.2Å; F287-F378 AromaticContact CZ-CE2 3.58Å; F287-F378 HydrophobicContact CZ-CE2 3.58Å; F287-F378 AromaticContact CZ-CZ 3.82Å; F287-F378 HydrophobicContact CZ-CZ 3.82Å; F287-K382 HydrophobicContact CD1-CG 4.24Å; F287-K382 HydrophobicContact CE1-CG 3.83Å; F287-L385 HydrophobicContact CD1-CD1 3.83Å; F287-L385 HydrophobicContact CE1-CD1 3.41Å; F287-L385 VanDerWaalsContact CE1-CD1 3.41Å; F287-L385 HydrophobicContact CZ-CD1 4.19Å; F287-E406 HydrophobicContact CD2-CB 4.19Å; F287-E406 HydrophobicContact CD2-CG 4.12Å; F287-E406 HydrophobicContact CE2-CB 3.9Å; F287-E406 HydrophobicContact CE2-CG 3.6Å; F287-E406 HydrophobicContact CZ-CB 4.26Å; F287-E406 HydrophobicContact CZ-CG 4.24Å; F287-A409 CarbonylContact C-O 3.3Å; F287-A409 HydrophobicContact CB-CB 3.55Å; F287-A409 HydrophobicContact CG-CB 4.41Å; F287-A410 HydrophobicContact CB-CB 4.26Å; F287-A410 HydrophobicContact CD1-CB 4.19Å
288	L	90.6	Very high	84.9	Confident	47 Å²	47	56.7 Å²	56.7	25%	0.246	29%	0.291	C	S	.	.	H	α-helix	trans	-61.6	-31.3	173.1	-76.5	172	0	0	0	112	V284 Q285 I290 R468 I471	V284-L288 HydrophobicContact CB-CD1 4.21Å; V284-L288 HydrophobicContact CG2-CD1 4.09Å; V284-L288 WeakPolarHBondContact O-CB 3.21Å; V284-L288 VanDerWaalsContact O-CG 3.29Å; V284-L288 WeakPolarHBondContact O-CG 3.29Å; V284-L288 PolarHBondContact O-N 3.3Å; Q285-L288 PolarHBondContact O-N 3.4Å; L288-I290 PolarHBondContact O-N 3.1Å; L288-R468 HydrophobicContact CD2-CB 3.88Å; L288-R468 HydrophobicContact CD2-CG 3.82Å; L288-R468 PolarHBondContact O-NH1 3.49Å; L288-I471 HydrophobicContact CD2-CD1 4.04Å; L288-I471 HydrophobicContact CG-CD1 4.37Å
289	D	90.2	Very high	84	Confident	104 Å²	104	62.4 Å²	62.4	56%	0.556	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-13.9	176.5	-64.8	-17.1	0	0	0	113.4	Q285 F287 P291	Q285-D289 PolarHBondContact NE2-OD1 3.07Å; Q285-D289 PolarHBondContact O-N 3.36Å; F287-D289 PolarHBondContact O-N 2.91Å; D289-P291 WeakPolarHBondContact O-CD 3.25Å
290	I	90.1	Very high	83.5	Confident	16 Å²	16	60.9 Å²	60.9	8%	0.082	33%	0.328	C	S	.	.	S	Bend	trans	-67.8	124.3	173.9	-62.2	171.8	0	0	0	108.3	F287 L288 L292 A410 R468	F287-I290 HydrophobicContact CD1-CD1 4.18Å; F287-I290 VanDerWaalsContact O-CB 3.28Å; F287-I290 WeakPolarHBondContact O-CB 3.49Å; F287-I290 WeakPolarHBondContact O-CG1 3.05Å; F287-I290 PolarHBondContact O-N 3.32Å; F287-I290 VanDerWaalsContact O-N 3.14Å; L288-I290 PolarHBondContact O-N 3.1Å; I290-L292 PolarHBondContact O-N 3.41Å; I290-A410 HydrophobicContact CD1-CB 3.96Å; I290-R468 PolarHBondContact O-NH1 2.94Å; I290-R468 PolarHBondContact O-NH2 3.21Å
291	P	90.1	Very high	83.4	Confident	80 Å²	80	61.8 Å²	61.8	52%	0.519	33%	0.332	S	S	.	.			trans	-62.7	138.2	179.3	-23.2	33.8	0	0	0	112.9	D289 H293	D289-P291 WeakPolarHBondContact O-CD 3.25Å; P291-H293 PolarHBondContact O-N 3.48Å
292	L	89	Confident	83.4	Confident	46 Å²	46	63 Å²	63	24%	0.241	34%	0.338	C	S	.	.			trans	-83.1	95	169.8	-70	-177.8	0	0	0	109.8	I290 L461 R464 K465	I290-L292 PolarHBondContact O-N 3.41Å; L292-L461 HydrophobicContact CB-CD1 3.84Å; L292-L461 HydrophobicContact CD1-CD1 4.25Å; L292-R464 HydrophobicContact CD2-CB 4.2Å; L292-K465 HydrophobicContact CD1-CG 3.74Å
293	H	83.7	Confident	83.8	Confident	112 Å²	112	63 Å²	63	52%	0.519	34%	0.338	S	S	.	.			trans	-77.9	134.8	169.8	-59.4	-63.2	0	0	0	111	P291 R464	P291-H293 PolarHBondContact O-N 3.48Å; H293-R464 PolarHBondContact O-NH1 3.34Å
294	E	76.6	Confident	84.6	Confident	98 Å²	98	61.1 Å²	61.1	46%	0.458	33%	0.328	S	S	.	.	S	Bend	trans	-69.3	-51.4	174.7	-176.4	172.3	-140.4	0	0	110.9	L461	E294-L461 HydrophobicContact CB-CD2 3.93Å; E294-L461 HydrophobicContact CG-CD2 4.03Å
295	K	68.5	Low	85.2	Confident	153 Å²	153	60.9 Å²	60.9	67%	0.665	33%	0.327	S	S	*	.	S	Bend	trans	-104.8	137.9	174.2	-65.6	-176.9	-177.8	177.5	0	110.5
296	K	67.4	Low	85.5	Confident	79 Å²	79	57.4 Å²	57.4	34%	0.343	31%	0.311	S	S	.	.			trans	-70	147.1	172.2	-80.4	-175.4	152.2	-170	0	111	E387 T389	K296-E387 WeakPolarHBondContact CE-O 3.38Å; K296-E387 PolarHBondContact NZ-O 2.84Å; K296-T389 WeakPolarHBondContact CE-OG1 3.37Å; K296-T389 PolarHBondContact NZ-OG1 3.34Å
297	V	64.3	Low	85.7	Confident	132 Å²	132	56.4 Å²	56.4	80%	0.8	31%	0.308	S	S	*	.	S	Bend	trans	-75.6	-39.7	173.2	-176.9	0	0	0	0	110.4
298	T	69.6	Low	85.7	Confident	82 Å²	82	59.2 Å²	59.2	50%	0.503	32%	0.321	S	S	.	.	S	Bend	trans	-94.8	135.2	-177.1	-32.5	0	0	0	0	111.3
299	P	78.9	Confident	85.8	Confident	121 Å²	121	57 Å²	57	79%	0.786	31%	0.309	S	S	*	.	S	Bend	trans	-65	140.8	172.4	26.2	-33.2	0	0	0	111
300	G	87.3	Confident	85.8	Confident	17 Å²	17	54.4 Å²	54.4	18%	0.175	29%	0.292	C	S	.	.	S	Bend	trans	102.4	172.3	178	0	0	0	0	0	114.9	S336	G300-S336 CarbonylContact C-O 3.57Å; G300-S336 WeakPolarHBondContact CA-O 3.42Å
301	H	92.7	Very high	85.8	Confident	22 Å²	22	56 Å²	56	10%	0.102	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	132.8	-179.6	-64.2	-79.4	0	0	0	111.6	H335 S336 L337 K338 T389 L453	H301-H335 AromaticContact CD2-CD2 3.97Å; H301-H335 AromaticContact NE2-CD2 3.7Å; H301-S336 PolarHBondContact N-O 3.05Å; H301-L337 HydrophobicContact CB-CD2 3.71Å; H301-L337 WeakPolarHBondContact O-CA 3.16Å; H301-K338 PolarHBondContact O-N 3.07Å; H301-T389 PolarHBondContact ND1-OG1 2.87Å; H301-L453 HydrophobicContact CB-CD2 3.59Å; H301-L453 VanDerWaalsContact CG-CD2 3.4Å
302	L	95.5	Very high	85.7	Confident	26 Å²	26	55.6 Å²	55.6	14%	0.136	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	125.6	176.6	177.2	67.9	0	0	0	108	V304 K338 V340 Y384 E387 A388 T389 I390	L302-V304 HydrophobicContact CD1-CG1 4.44Å; L302-V304 HydrophobicContact CD2-CG1 3.99Å; L302-V304 HydrophobicContact CG-CG1 3.9Å; L302-K338 HydrophobicContact CD1-CB 4.18Å; L302-V340 HydrophobicContact CD1-CB 4.29Å; L302-V340 HydrophobicContact CD1-CG2 3.42Å; L302-V340 VanDerWaalsContact CD1-CG2 3.42Å; L302-Y384 HydrophobicContact CD2-CD1 4.15Å; L302-Y384 WeakPolarHBondContact CD2-O 3.36Å; L302-E387 HydrophobicContact CD2-CB 4.02Å; L302-A388 HydrophobicContact CD2-CB 4.34Å; L302-A388 HydrophobicContact CG-CB 4.47Å; L302-T389 PolarHBondContact O-N 3.41Å; L302-I390 PolarHBondContact O-N 2.93Å
303	L	98	Very high	85.9	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	132.2	171.7	-63.3	80.8	0	0	0	107.3	F322 K338 L339 V340 I390 L392 M449	L303-F322 HydrophobicContact CD1-CE2 4.08Å; L303-F322 HydrophobicContact CD2-CD2 4.25Å; L303-F322 HydrophobicContact CD2-CE2 4.48Å; L303-K338 PolarHBondContact N-O 3.25Å; L303-L339 HydrophobicContact CB-CD1 4.08Å; L303-L339 CarbonylContact O-C 3.52Å; L303-L339 WeakPolarHBondContact O-CA 3.48Å; L303-V340 PolarHBondContact O-N 3.5Å; L303-I390 WeakPolarHBondContact CA-O 3.17Å; L303-I390 HydrophobicContact CB-CB 4.48Å; L303-I390 HydrophobicContact CD2-CB 4.27Å; L303-I390 HydrophobicContact CD2-CD1 4.03Å; L303-I390 HydrophobicContact CG-CB 3.98Å; L303-I390 HydrophobicContact CG-CD1 4.25Å; L303-I390 HydrophobicContact CG-CG1 4.33Å; L303-L392 HydrophobicContact CB-CD1 4.25Å; L303-L392 HydrophobicContact CD2-CD1 4.15Å; L303-M449 HydrophobicContact CD2-CG 4Å; L303-M449 HydrophobicContact CD2-SD 3.35Å; L303-M449 WeakPolarHBondContact CD2-SD 3.37Å
304	V	98.2	Very high	86.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142.1	-177.3	-63.5	0	0	0	0	110.4	L302 V340 L385 A388 I390 G391 L392 T412	L302-V304 HydrophobicContact CD1-CG1 4.44Å; L302-V304 HydrophobicContact CD2-CG1 3.99Å; L302-V304 HydrophobicContact CG-CG1 3.9Å; V304-V340 WeakPolarHBondContact CA-O 3.31Å; V304-V340 HydrophobicContact CG1-CB 4.39Å; V304-L385 HydrophobicContact CG2-CD2 3.85Å; V304-A388 HydrophobicContact CB-CB 4.18Å; V304-A388 HydrophobicContact CG1-CB 3.64Å; V304-A388 HydrophobicContact CG2-CB 3.45Å; V304-A388 VanDerWaalsContact CG2-CB 3.45Å; V304-I390 PolarHBondContact N-O 3.41Å; V304-G391 CarbonylContact O-C 3.56Å; V304-G391 WeakPolarHBondContact O-CA 3.08Å; V304-L392 PolarHBondContact O-N 2.84Å; V304-T412 HydrophobicContact CG2-CG2 4.5Å
305	S	98.1	Very high	87.5	Confident	3 Å²	3	48.6 Å²	48.6	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135.9	167.1	168.7	0	0	0	0	109.4	Q318 V340 I342	S305-Q318 PolarHBondContact OG-NE2 3.4Å; S305-Q318 PolarHBondContact OG-OE1 3.15Å; S305-V340 PolarHBondContact N-O 3.09Å; S305-I342 WeakPolarHBondContact O-CA 3.34Å; S305-I342 WeakPolarHBondContact O-CB 3.24Å; S305-I342 PolarHBondContact O-N 2.94Å
306	I	93.8	Very high	88.9	Confident	33 Å²	33	42.8 Å²	42.8	17%	0.169	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	116	177.9	-58.2	168.6	0	0	0	108.8	I342 L381 L385	I306-I342 WeakPolarHBondContact CA-O 3.28Å; I306-L381 HydrophobicContact CD1-CD1 3.68Å; I306-L381 HydrophobicContact CG1-CD1 3.87Å; I306-L385 HydrophobicContact CD1-CD1 3.66Å; I306-L385 HydrophobicContact CD1-CD2 3.49Å; I306-L385 VanDerWaalsContact CD1-CD2 3.49Å; I306-L385 HydrophobicContact CD1-CG 3.83Å
307	G	88.8	Confident	90.4	Very high	14 Å²	14	39.9 Å²	39.9	14%	0.144	23%	0.23	C	C	.	.			trans	179.1	151.5	176.6	0	0	0	0	0	112.6	I342 G343	G307-I342 PolarHBondContact N-O 3.24Å; G307-G343 WeakPolarHBondContact O-CA 3.39Å
308	Q	88.3	Confident	92	Very high	58 Å²	58	33.9 Å²	33.9	27%	0.271	19%	0.193	S	C	.	.			trans	-60	144	171.6	-63.7	179.4	14.5	0	0	110.6	R310 K313 H315	Q308-R310 HydrophobicContact CB-CG 3.9Å; Q308-R310 PolarHBondContact O-N 3.47Å; Q308-K313 WeakPolarHBondContact O-CG 3.39Å; Q308-H315 PolarHBondContact O-CE1 3.18Å
309	F	91.8	Very high	93.4	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-74.2	75.5	178.7	-68.5	-75.3	0	0	0	111.9	L341 G343 G344 R353 V354 L357 F372 I374	F309-L341 HydrophobicContact CE1-CB 4.14Å; F309-L341 HydrophobicContact CZ-CB 4.28Å; F309-G343 VanDerWaalsContact CE2-CA 3.5Å; F309-G344 PolarHBondContact N-O 3.42Å; F309-R353 WeakPolarHBondContact O-CD 3.37Å; F309-R353 PolarHBondContact O-NH1 3.18Å; F309-V354 HydrophobicContact CB-CG2 3.83Å; F309-V354 HydrophobicContact CD1-CG2 3.75Å; F309-V354 HydrophobicContact CD2-CG2 3.56Å; F309-V354 HydrophobicContact CE1-CG2 4.16Å; F309-V354 HydrophobicContact CE2-CG2 3.98Å; F309-V354 HydrophobicContact CG-CG2 3.42Å; F309-V354 VanDerWaalsContact CG-CG2 3.42Å; F309-V354 HydrophobicContact CZ-CG2 4.26Å; F309-L357 HydrophobicContact CD1-CD1 3.92Å; F309-L357 HydrophobicContact CE1-CD1 4.37Å; F309-F372 HydrophobicContact CE1-CD1 4Å; F309-F372 HydrophobicContact CE1-CE1 4.42Å; F309-F372 HydrophobicContact CZ-CD1 4.17Å; F309-I374 HydrophobicContact CE2-CG1 4.16Å
310	R	90.1	Very high	94.3	Very high	51 Å²	51	28.2 Å²	28.2	19%	0.192	15%	0.15	C	C	.	.			trans	-116.2	155.9	-178.9	-61.4	-74.1	179.5	-155.6	-22.5	112	Q308 E312 K313 D350	Q308-R310 HydrophobicContact CB-CG 3.9Å; Q308-R310 PolarHBondContact O-N 3.47Å; R310-E312 VanDerWaalsContact C-N 3.34Å; R310-E312 VanDerWaalsContact CB-CD 3.41Å; R310-E312 HydrophobicContact CB-CG 4.42Å; R310-E312 WeakPolarHBondContact CB-OE1 3.28Å; R310-E312 WeakPolarHBondContact CB-OE2 3.31Å; R310-E312 PolarHBondContact O-N 2.55Å; R310-K313 HydrophobicContact CB-CG 4.15Å; R310-K313 PolarHBondContact O-N 3.11Å; R310-D350 IonicContact CZ-OD1 3.15Å; R310-D350 IonicContact CZ-OD2 3.53Å; R310-D350 IonicContact NE-OD1 2.67Å; R310-D350 IonicContact NH1-OD1 3.4Å; R310-D350 PolarHBondContact NH1-OD1 3.48Å; R310-D350 IonicContact NH1-OD2 3.28Å; R310-D350 IonicContact NH2-OD1 2.98Å; R310-D350 PolarHBondContact NH2-OD1 3.3Å; R310-D350 IonicContact NH2-OD2 3.77Å; R310-D350 PolarHBondContact NH2-OD2 2.82Å
311	P	90.1	Very high	94.9	Very high	49 Å²	49	27.4 Å²	27.4	32%	0.318	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-56.7	-45.3	179.6	-23.6	33.9	0	0	0	113.1	F217 K313 N314	F217-P311 HydrophobicContact CD2-CB 3.85Å; F217-P311 HydrophobicContact CD2-CG 4.16Å; F217-P311 HydrophobicContact CE2-CB 4.1Å; F217-P311 HydrophobicContact CE2-CG 3.89Å; P311-K313 PolarHBondContact O-N 3.1Å; P311-N314 PolarHBondContact O-N 2.78Å; P311-N314 VanDerWaalsContact O-N 3.13Å
312	E	89.8	Confident	95.1	Very high	72 Å²	72	26.4 Å²	26.4	34%	0.336	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-64.8	-23.6	-176.1	64.9	-82.1	-173.7	0	0	113.3	R310 N314 M395	R310-E312 VanDerWaalsContact C-N 3.34Å; R310-E312 VanDerWaalsContact CB-CD 3.41Å; R310-E312 HydrophobicContact CB-CG 4.42Å; R310-E312 WeakPolarHBondContact CB-OE1 3.28Å; R310-E312 WeakPolarHBondContact CB-OE2 3.31Å; R310-E312 PolarHBondContact O-N 2.55Å; E312-N314 PolarHBondContact O-N 3.03Å; E312-M395 HydrophobicContact CB-CE 4.13Å; E312-M395 HydrophobicContact CB-SD 4.19Å; E312-M395 HydrophobicContact CG-CE 3.82Å; E312-M395 HydrophobicContact CG-SD 3.73Å; E312-M395 VanDerWaalsContact O-CG 3.3Å; E312-M395 WeakPolarHBondContact O-CG 3.46Å
313	K	93.2	Very high	95.3	Very high	43 Å²	43	25.3 Å²	25.3	19%	0.187	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-71.4	-16.9	177.6	-61.7	-64.8	176.6	-177.1	0	113.4	Q308 R310 P311 H315 T394 M395 E398	Q308-K313 WeakPolarHBondContact O-CG 3.39Å; R310-K313 HydrophobicContact CB-CG 4.15Å; R310-K313 PolarHBondContact O-N 3.11Å; P311-K313 PolarHBondContact O-N 3.1Å; K313-H315 VanDerWaalsContact C-N 3.33Å; K313-H315 VanDerWaalsContact CB-CE1 3.42Å; K313-H315 WeakPolarHBondContact CB-CE1 3.38Å; K313-H315 PolarHBondContact O-N 2.93Å; K313-T394 PolarHBondContact O-OG1 2.95Å; K313-M395 HydrophobicContact CD-CB 4.17Å; K313-M395 HydrophobicContact CD-SD 3.72Å; K313-M395 PolarHBondContact NZ-SD 3.27Å; K313-E398 IonicContact NZ-OE1 2.82Å; K313-E398 IonicContact NZ-OE2 3.23Å; K313-E398 PolarHBondContact NZ-OE2 3.3Å
314	N	95.6	Very high	95.2	Very high	63 Å²	63	26.6 Å²	26.6	34%	0.337	14%	0.137	S	C	.	.			trans	52.7	43.4	172.9	-161.8	9.4	0	0	0	114.4	P311 E312 A316 L317 T394	P311-N314 PolarHBondContact O-N 2.78Å; P311-N314 VanDerWaalsContact O-N 3.13Å; E312-N314 PolarHBondContact O-N 3.03Å; N314-A316 PolarHBondContact O-N 3.01Å; N314-A316 VanDerWaalsContact O-N 3.1Å; N314-L317 WeakPolarHBondContact ND2-CB 3.47Å; N314-L317 WeakPolarHBondContact O-CB 3.3Å; N314-L317 PolarHBondContact O-N 3.4Å; N314-L317 PolarHBondContact OD1-N 2.66Å; N314-T394 PolarHBondContact O-OG1 3.46Å
315	H	97.8	Very high	95.1	Very high	3 Å²	3	26.7 Å²	26.7	1%	0.014	14%	0.137	C	C	.	.	H	α-helix	trans	-55.4	-26.9	174.6	-63.9	96.3	0	0	0	112.9	Q308 K313 L317 Q318 I319 L357	Q308-H315 PolarHBondContact O-CE1 3.18Å; K313-H315 VanDerWaalsContact C-N 3.33Å; K313-H315 VanDerWaalsContact CB-CE1 3.42Å; K313-H315 WeakPolarHBondContact CB-CE1 3.38Å; K313-H315 PolarHBondContact O-N 2.93Å; H315-L317 VanDerWaalsContact C-N 3.28Å; H315-L317 PolarHBondContact O-N 2.65Å; H315-Q318 WeakPolarHBondContact O-CB 3.41Å; H315-Q318 PolarHBondContact O-N 3.27Å; H315-Q318 VanDerWaalsContact O-N 3.13Å; H315-I319 WeakPolarHBondContact O-CG1 3.19Å; H315-I319 PolarHBondContact O-N 2.7Å; H315-I319 VanDerWaalsContact O-N 3.07Å; H315-L357 HydrophobicContact CB-CD1 3.69Å; H315-L357 HydrophobicContact CB-CD2 3.85Å; H315-L357 HydrophobicContact CB-CG 4.45Å
316	A	97.9	Very high	95	Very high	30 Å²	30	27.9 Å²	27.9	25%	0.248	14%	0.143	C	C	.	.	H	α-helix	trans	-59	-38.6	174.6	0	0	0	0	0	112.2	N314 Q318 I319 K320 L357 L360	N314-A316 PolarHBondContact O-N 3.01Å; N314-A316 VanDerWaalsContact O-N 3.1Å; A316-Q318 VanDerWaalsContact C-N 3.34Å; A316-I319 PolarHBondContact O-N 3.36Å; A316-K320 WeakPolarHBondContact O-CB 3.43Å; A316-K320 VanDerWaalsContact O-CG 3.25Å; A316-K320 WeakPolarHBondContact O-CG 3.49Å; A316-K320 PolarHBondContact O-N 2.89Å; A316-L357 HydrophobicContact CB-CD2 4.19Å; A316-L360 HydrophobicContact CB-CD2 3.74Å
317	L	98.3	Very high	95	Very high	19 Å²	19	32.3 Å²	32.3	10%	0.099	17%	0.168	C	C	.	.	H	α-helix	trans	-63.5	-39.7	174.7	177.3	59.8	0	0	0	111.7	N314 H315 K320 A321 T394 E442 Y445	N314-L317 WeakPolarHBondContact ND2-CB 3.47Å; N314-L317 WeakPolarHBondContact O-CB 3.3Å; N314-L317 PolarHBondContact O-N 3.4Å; N314-L317 PolarHBondContact OD1-N 2.66Å; H315-L317 VanDerWaalsContact C-N 3.28Å; H315-L317 PolarHBondContact O-N 2.65Å; L317-K320 PolarHBondContact O-N 3.24Å; L317-A321 VanDerWaalsContact O-CB 3.27Å; L317-A321 WeakPolarHBondContact O-CB 3.43Å; L317-A321 PolarHBondContact O-N 3.28Å; L317-T394 HydrophobicContact CB-CG2 4.24Å; L317-T394 HydrophobicContact CD2-CG2 3.93Å; L317-T394 HydrophobicContact CG-CG2 4.03Å; L317-E442 HydrophobicContact CD1-CB 3.86Å; L317-E442 HydrophobicContact CD1-CG 4.45Å; L317-Y445 HydrophobicContact CD2-CD2 4.02Å; L317-Y445 HydrophobicContact CD2-CE2 3.79Å; L317-Y445 HydrophobicContact CG-CD2 4.29Å; L317-Y445 HydrophobicContact CG-CE2 4.47Å
318	Q	98.5	Very high	95.2	Very high	5 Å²	5	36.2 Å²	36.2	2%	0.023	18%	0.182	C	C	.	.	H	α-helix	trans	-61.9	-47.8	177	-56.3	177.8	11	0	0	111.3	S305 H315 A316 F322 T394	S305-Q318 PolarHBondContact OG-NE2 3.4Å; S305-Q318 PolarHBondContact OG-OE1 3.15Å; H315-Q318 WeakPolarHBondContact O-CB 3.41Å; H315-Q318 PolarHBondContact O-N 3.27Å; H315-Q318 VanDerWaalsContact O-N 3.13Å; A316-Q318 VanDerWaalsContact C-N 3.34Å; Q318-F322 WeakPolarHBondContact O-CB 3.18Å; Q318-F322 PolarHBondContact O-N 2.92Å; Q318-T394 HydrophobicContact CB-CG2 4.49Å; Q318-T394 HydrophobicContact CG-CG2 3.35Å; Q318-T394 VanDerWaalsContact CG-OG1 3.29Å; Q318-T394 WeakPolarHBondContact CG-OG1 3.43Å; Q318-T394 PolarHBondContact NE2-OG1 3.29Å
319	I	98.7	Very high	95	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.7	-44.8	-179.9	-62.1	169.5	0	0	0	110.3	H315 A316 F322 A323 L339 L341 L357 L360 L364 V366 F372	H315-I319 WeakPolarHBondContact O-CG1 3.19Å; H315-I319 PolarHBondContact O-N 2.7Å; H315-I319 VanDerWaalsContact O-N 3.07Å; A316-I319 PolarHBondContact O-N 3.36Å; I319-F322 PolarHBondContact O-N 3.32Å; I319-A323 WeakPolarHBondContact O-CB 3.4Å; I319-A323 PolarHBondContact O-N 3.07Å; I319-L339 HydrophobicContact CG1-CD2 4.44Å; I319-L341 HydrophobicContact CD1-CD1 3.86Å; I319-L341 HydrophobicContact CG1-CD1 3.87Å; I319-L357 HydrophobicContact CD1-CB 3.96Å; I319-L357 HydrophobicContact CD1-CD2 3.87Å; I319-L357 HydrophobicContact CD1-CG 4.47Å; I319-L360 HydrophobicContact CB-CD2 4.29Å; I319-L360 HydrophobicContact CD1-CD2 4.35Å; I319-L360 HydrophobicContact CG2-CD2 4.37Å; I319-L360 HydrophobicContact CG2-CG 4.26Å; I319-L364 HydrophobicContact CG2-CD1 3.91Å; I319-V366 HydrophobicContact CG2-CG2 4.29Å; I319-F372 HydrophobicContact CD1-CZ 4.09Å
320	K	98.7	Very high	94.4	Very high	84 Å²	84	37.9 Å²	37.9	37%	0.365	19%	0.194	S	C	.	.	H	α-helix	trans	-64.3	-48.6	179.2	-71.3	174.5	177.5	-169.8	0	112.6	A316 L317 F322 A323 K324 L364 E442	A316-K320 WeakPolarHBondContact O-CB 3.43Å; A316-K320 VanDerWaalsContact O-CG 3.25Å; A316-K320 WeakPolarHBondContact O-CG 3.49Å; A316-K320 PolarHBondContact O-N 2.89Å; L317-K320 PolarHBondContact O-N 3.24Å; K320-F322 VanDerWaalsContact C-N 3.27Å; K320-F322 PolarHBondContact O-N 3.42Å; K320-A323 PolarHBondContact O-N 3.2Å; K320-K324 WeakPolarHBondContact O-CB 3.49Å; K320-K324 PolarHBondContact O-N 3.36Å; K320-L364 HydrophobicContact CG-CD1 3.96Å; K320-E442 HydrophobicContact CB-CG 4.05Å; K320-E442 WeakPolarHBondContact CB-OE2 3.33Å; K320-E442 WeakPolarHBondContact CD-OE2 3.16Å
321	A	98.5	Very high	93.9	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.008	23%	0.225	C	C	.	.	H	α-helix	trans	-62.6	-37.2	177.3	0	0	0	0	0	111.6	L317 K324 L325 E442 M449	L317-A321 VanDerWaalsContact O-CB 3.27Å; L317-A321 WeakPolarHBondContact O-CB 3.43Å; L317-A321 PolarHBondContact O-N 3.28Å; A321-K324 PolarHBondContact O-N 3.42Å; A321-L325 PolarHBondContact O-N 3.14Å; A321-E442 HydrophobicContact CB-CG 4.26Å; A321-M449 VanDerWaalsContact C-CE 3.48Å; A321-M449 HydrophobicContact CB-CE 3.8Å; A321-M449 WeakPolarHBondContact O-CE 3.38Å
322	F	98.3	Very high	93.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-68.6	-40	175.9	-178.7	-110.1	0	0	0	112.2	L303 Q318 I319 K320 K324 L325 L326 L337 L339 N369 V370	L303-F322 HydrophobicContact CD1-CE2 4.08Å; L303-F322 HydrophobicContact CD2-CD2 4.25Å; L303-F322 HydrophobicContact CD2-CE2 4.48Å; Q318-F322 WeakPolarHBondContact O-CB 3.18Å; Q318-F322 PolarHBondContact O-N 2.92Å; I319-F322 PolarHBondContact O-N 3.32Å; K320-F322 VanDerWaalsContact C-N 3.27Å; K320-F322 PolarHBondContact O-N 3.42Å; F322-K324 VanDerWaalsContact C-N 3.33Å; F322-L325 HydrophobicContact CD2-CD2 4.19Å; F322-L325 HydrophobicContact CE2-CD2 4.46Å; F322-L325 WeakPolarHBondContact O-CB 3.21Å; F322-L325 PolarHBondContact O-N 3.46Å; F322-L326 HydrophobicContact CD1-CD1 3.96Å; F322-L326 HydrophobicContact CE1-CD1 3.48Å; F322-L326 VanDerWaalsContact CE1-CD1 3.48Å; F322-L326 HydrophobicContact CE1-CG 4.18Å; F322-L326 HydrophobicContact CE2-CG 4.48Å; F322-L326 HydrophobicContact CZ-CD1 3.85Å; F322-L326 HydrophobicContact CZ-CD2 4.34Å; F322-L326 HydrophobicContact CZ-CG 4.14Å; F322-L326 WeakPolarHBondContact O-CG 3.39Å; F322-L326 PolarHBondContact O-N 2.97Å; F322-L337 HydrophobicContact CE2-CB 4.07Å; F322-L337 HydrophobicContact CZ-CB 4.11Å; F322-L339 HydrophobicContact CB-CD2 3.88Å; F322-L339 HydrophobicContact CD1-CB 3.7Å; F322-L339 HydrophobicContact CD1-CD2 3.97Å; F322-L339 HydrophobicContact CD1-CG 4.49Å; F322-L339 HydrophobicContact CD2-CB 4.14Å; F322-L339 HydrophobicContact CE1-CB 3.65Å; F322-L339 HydrophobicContact CE2-CB 4.12Å; F322-L339 HydrophobicContact CG-CB 3.94Å; F322-L339 HydrophobicContact CG-CD2 3.94Å; F322-L339 HydrophobicContact CZ-CB 3.88Å; F322-N369 HydrophobicContact CE1-CB 3.75Å; F322-N369 HydrophobicContact CZ-CB 4.15Å; F322-V370 HydrophobicContact CD1-CG2 3.9Å; F322-V370 HydrophobicContact CE1-CG2 4.02Å
323	A	98	Very high	93	Very high	3 Å²	3	42.7 Å²	42.7	3%	0.025	23%	0.232	C	C	.	.	H	α-helix	trans	-63.3	-41.1	174	0	0	0	0	0	111.9	I319 K320 L326 N327 L364 V366	I319-A323 WeakPolarHBondContact O-CB 3.4Å; I319-A323 PolarHBondContact O-N 3.07Å; K320-A323 PolarHBondContact O-N 3.2Å; A323-L326 PolarHBondContact O-N 3.08Å; A323-N327 VanDerWaalsContact O-CG 3.26Å; A323-N327 PolarHBondContact O-N 3.4Å; A323-N327 PolarHBondContact O-ND2 3.29Å; A323-L364 HydrophobicContact CB-CB 4.03Å; A323-L364 HydrophobicContact CB-CD1 4.09Å; A323-V366 HydrophobicContact CB-CG1 3.72Å; A323-V366 HydrophobicContact CB-CG2 4.1Å
324	K	97.4	Very high	92.3	Very high	28 Å²	28	43.7 Å²	43.7	12%	0.122	26%	0.255	C	S	.	.	H	α-helix	trans	-61.1	-47.1	174.1	-172.8	-177.4	153.8	84.1	0	111.9	K320 A321 F322 L326 N327 E328 E443 A446	K320-K324 WeakPolarHBondContact O-CB 3.49Å; K320-K324 PolarHBondContact O-N 3.36Å; A321-K324 PolarHBondContact O-N 3.42Å; F322-K324 VanDerWaalsContact C-N 3.33Å; K324-L326 VanDerWaalsContact C-N 3.3Å; K324-L326 PolarHBondContact O-N 3.44Å; K324-N327 PolarHBondContact O-N 3.38Å; K324-E328 WeakPolarHBondContact CE-OE2 3.22Å; K324-E328 HydrophobicContact CG-CG 4.38Å; K324-E328 WeakPolarHBondContact CG-OE1 3.35Å; K324-E328 IonicContact NZ-OE1 2.86Å; K324-E328 PolarHBondContact NZ-OE1 2.66Å; K324-E328 IonicContact NZ-OE2 2.99Å; K324-E328 PolarHBondContact NZ-OE2 3.27Å; K324-E328 WeakPolarHBondContact O-CB 3.46Å; K324-E328 PolarHBondContact O-N 3.49Å; K324-E443 WeakPolarHBondContact CE-OE1 3.44Å; K324-E443 WeakPolarHBondContact CE-OE2 3.29Å; K324-E443 IonicContact NZ-OE1 2.7Å; K324-E443 PolarHBondContact NZ-OE1 2.81Å; K324-E443 IonicContact NZ-OE2 2.58Å; K324-E443 PolarHBondContact NZ-OE2 2.88Å; K324-A446 HydrophobicContact CB-CB 4.24Å; K324-A446 HydrophobicContact CD-CB 3.92Å; K324-A446 HydrophobicContact CG-CB 4.17Å
325	L	96.6	Very high	91.7	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-53.8	-46.4	173	174	75.1	0	0	0	111.8	A321 F322 K329 A330 L333 L337 M449 A450 L453	A321-L325 PolarHBondContact O-N 3.14Å; F322-L325 HydrophobicContact CD2-CD2 4.19Å; F322-L325 HydrophobicContact CE2-CD2 4.46Å; F322-L325 WeakPolarHBondContact O-CB 3.21Å; F322-L325 PolarHBondContact O-N 3.46Å; L325-K329 HydrophobicContact CD1-CB 4.01Å; L325-K329 WeakPolarHBondContact O-CA 3.2Å; L325-K329 WeakPolarHBondContact O-CB 3.42Å; L325-K329 PolarHBondContact O-N 3.42Å; L325-A330 PolarHBondContact O-N 2.82Å; L325-L333 HydrophobicContact CD1-CD1 4.15Å; L325-L337 HydrophobicContact CD2-CD1 3.91Å; L325-L337 HydrophobicContact CG-CD1 4.29Å; L325-M449 HydrophobicContact CB-CE 4.25Å; L325-M449 HydrophobicContact CD1-CB 4.23Å; L325-M449 HydrophobicContact CD2-CB 3.86Å; L325-M449 HydrophobicContact CD2-CE 4.32Å; L325-M449 HydrophobicContact CD2-SD 4.22Å; L325-A450 HydrophobicContact CD1-CB 3.75Å; L325-L453 HydrophobicContact CD2-CD1 4.03Å
326	L	95.6	Very high	91.3	Very high	28 Å²	28	49.4 Å²	49.4	15%	0.147	29%	0.288	C	S	.	.	H	α-helix	trans	-61.9	-44.9	179.3	-76.6	174.2	0	0	0	112	F322 A323 K324 A330 L337 V366 N369	F322-L326 HydrophobicContact CD1-CD1 3.96Å; F322-L326 HydrophobicContact CE1-CD1 3.48Å; F322-L326 VanDerWaalsContact CE1-CD1 3.48Å; F322-L326 HydrophobicContact CE1-CG 4.18Å; F322-L326 HydrophobicContact CE2-CG 4.48Å; F322-L326 HydrophobicContact CZ-CD1 3.85Å; F322-L326 HydrophobicContact CZ-CD2 4.34Å; F322-L326 HydrophobicContact CZ-CG 4.14Å; F322-L326 WeakPolarHBondContact O-CG 3.39Å; F322-L326 PolarHBondContact O-N 2.97Å; A323-L326 PolarHBondContact O-N 3.08Å; K324-L326 VanDerWaalsContact C-N 3.3Å; K324-L326 PolarHBondContact O-N 3.44Å; L326-A330 HydrophobicContact CD2-CB 4.24Å; L326-A330 WeakPolarHBondContact O-CB 3.41Å; L326-A330 PolarHBondContact O-N 3.31Å; L326-L337 HydrophobicContact CD2-CB 4.03Å; L326-L337 HydrophobicContact CD2-CD1 4.09Å; L326-L337 HydrophobicContact CD2-CG 4.48Å; L326-V366 HydrophobicContact CD1-CB 4.08Å; L326-V366 HydrophobicContact CD1-CG1 3.64Å; L326-N369 HydrophobicContact CD1-CB 3.88Å
327	N	93.2	Very high	91.2	Very high	127 Å²	127	48.1 Å²	48.1	68%	0.679	28%	0.277	S	S	*	.	H	α-helix	trans	-71.1	-36.3	-176.8	-69.6	-25.2	0	0	0	113.1	A323 K324	A323-N327 VanDerWaalsContact O-CG 3.26Å; A323-N327 PolarHBondContact O-N 3.4Å; A323-N327 PolarHBondContact O-ND2 3.29Å; K324-N327 PolarHBondContact O-N 3.38Å
328	E	92	Very high	91.1	Very high	95 Å²	95	52.2 Å²	52.2	44%	0.444	29%	0.294	S	S	.	.	H	α-helix	trans	-99.4	-27.3	-170.5	-65.6	178.1	-172.5	0	0	113.5	K324	K324-E328 WeakPolarHBondContact CE-OE2 3.22Å; K324-E328 HydrophobicContact CG-CG 4.38Å; K324-E328 WeakPolarHBondContact CG-OE1 3.35Å; K324-E328 IonicContact NZ-OE1 2.86Å; K324-E328 PolarHBondContact NZ-OE1 2.66Å; K324-E328 IonicContact NZ-OE2 2.99Å; K324-E328 PolarHBondContact NZ-OE2 3.27Å; K324-E328 WeakPolarHBondContact O-CB 3.46Å; K324-E328 PolarHBondContact O-N 3.49Å
329	K	85.7	Confident	91.1	Very high	65 Å²	65	52 Å²	52	28%	0.283	29%	0.293	S	S	.	.	H	α-helix	trans	-132.1	-10.3	-165.6	-59.6	-64.3	175.7	-169.4	0	115.2	L325 A331 E332 L333 A450	L325-K329 HydrophobicContact CD1-CB 4.01Å; L325-K329 WeakPolarHBondContact O-CA 3.2Å; L325-K329 WeakPolarHBondContact O-CB 3.42Å; L325-K329 PolarHBondContact O-N 3.42Å; K329-A331 VanDerWaalsContact C-N 3.31Å; K329-A331 PolarHBondContact O-N 3.23Å; K329-E332 WeakPolarHBondContact CD-OE2 3.46Å; K329-E332 IonicContact NZ-OE1 3.03Å; K329-E332 PolarHBondContact NZ-OE1 2.91Å; K329-E332 IonicContact NZ-OE2 2.7Å; K329-E332 PolarHBondContact NZ-OE2 2.78Å; K329-E332 PolarHBondContact O-N 2.96Å; K329-E332 VanDerWaalsContact O-N 3.16Å; K329-L333 HydrophobicContact CB-CD1 4.45Å; K329-L333 WeakPolarHBondContact O-CG 3.37Å; K329-L333 PolarHBondContact O-N 3.21Å; K329-L333 VanDerWaalsContact O-N 3.1Å; K329-A450 HydrophobicContact CB-CB 4.47Å; K329-A450 HydrophobicContact CG-CB 4.19Å
330	A	78.6	Confident	91.1	Very high	29 Å²	29	52 Å²	52	24%	0.24	29%	0.293	C	S	.	.	H	α-helix	trans	-60.3	-39.3	-177.1	0	0	0	0	0	113.4	L325 L326 E332 L333 G334	L325-A330 PolarHBondContact O-N 2.82Å; L326-A330 HydrophobicContact CD2-CB 4.24Å; L326-A330 WeakPolarHBondContact O-CB 3.41Å; L326-A330 PolarHBondContact O-N 3.31Å; A330-E332 VanDerWaalsContact C-N 3.31Å; A330-E332 PolarHBondContact O-N 3.4Å; A330-L333 PolarHBondContact O-N 2.76Å; A330-G334 PolarHBondContact O-N 3.23Å; A330-G334 VanDerWaalsContact O-N 3.14Å
331	A	79.1	Confident	91.1	Very high	102 Å²	102	48 Å²	48	84%	0.843	28%	0.276	S	S	*	.	H	α-helix	trans	-64.4	-36.4	179	0	0	0	0	0	112.3	K329	K329-A331 VanDerWaalsContact C-N 3.31Å; K329-A331 PolarHBondContact O-N 3.23Å
332	E	80.4	Confident	91	Very high	142 Å²	142	48.3 Å²	48.3	66%	0.664	28%	0.277	S	S	*	.	H	α-helix	trans	-70.4	-35.5	177.2	-62.1	176.7	-179.3	0	0	111.5	K329 A330	K329-E332 WeakPolarHBondContact CD-OE2 3.46Å; K329-E332 IonicContact NZ-OE1 3.03Å; K329-E332 PolarHBondContact NZ-OE1 2.91Å; K329-E332 IonicContact NZ-OE2 2.7Å; K329-E332 PolarHBondContact NZ-OE2 2.78Å; K329-E332 PolarHBondContact O-N 2.96Å; K329-E332 VanDerWaalsContact O-N 3.16Å; A330-E332 VanDerWaalsContact C-N 3.31Å; A330-E332 PolarHBondContact O-N 3.4Å
333	L	81.8	Confident	90.6	Very high	28 Å²	28	48.8 Å²	48.8	15%	0.147	28%	0.283	C	S	.	.	H	α-helix	trans	-77.5	-24.6	-178.3	-68.2	170.2	0	0	0	113.5	L325 K329 A330 H335 L337 L453	L325-L333 HydrophobicContact CD1-CD1 4.15Å; K329-L333 HydrophobicContact CB-CD1 4.45Å; K329-L333 WeakPolarHBondContact O-CG 3.37Å; K329-L333 PolarHBondContact O-N 3.21Å; K329-L333 VanDerWaalsContact O-N 3.1Å; A330-L333 PolarHBondContact O-N 2.76Å; L333-H335 PolarHBondContact O-CD2 2.84Å; L333-H335 PolarHBondContact O-N 3.44Å; L333-L337 HydrophobicContact CD1-CD1 4.04Å; L333-L453 HydrophobicContact CD1-CB 4.23Å; L333-L453 HydrophobicContact CD1-CD1 3.75Å; L333-L453 HydrophobicContact CD2-CB 3.75Å
334	G	78.8	Confident	89.9	Confident	65 Å²	65	49.6 Å²	49.6	67%	0.67	29%	0.291	S	S	*	.			trans	63.2	13.5	173.9	0	0	0	0	0	115.7	A330	A330-G334 PolarHBondContact O-N 3.23Å; A330-G334 VanDerWaalsContact O-N 3.14Å
335	H	81.4	Confident	89.4	Confident	106 Å²	106	48.9 Å²	48.9	49%	0.491	29%	0.289	S	S	.	.	S	Bend	trans	-126.5	147.1	-173.7	-66.1	-44.7	0	0	0	111.7	H301 L333 L337	H301-H335 AromaticContact CD2-CD2 3.97Å; H301-H335 AromaticContact NE2-CD2 3.7Å; L333-H335 PolarHBondContact O-CD2 2.84Å; L333-H335 PolarHBondContact O-N 3.44Å; H335-L337 PolarHBondContact O-N 3.37Å
336	S	90.6	Very high	88.5	Confident	79 Å²	79	54.2 Å²	54.2	55%	0.552	31%	0.309	S	S	*	.			trans	-66.5	129.1	171.2	-176.6	0	0	0	0	110.1	G300 H301	G300-S336 CarbonylContact C-O 3.57Å; G300-S336 WeakPolarHBondContact CA-O 3.42Å; H301-S336 PolarHBondContact N-O 3.05Å
337	L	94.8	Very high	87.9	Confident	3 Å²	3	55.8 Å²	55.8	2%	0.016	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	133.8	-179.9	-56	-177.7	0	0	0	110.1	H301 F322 L325 L326 L333 H335 N369 L453	H301-L337 HydrophobicContact CB-CD2 3.71Å; H301-L337 WeakPolarHBondContact O-CA 3.16Å; F322-L337 HydrophobicContact CE2-CB 4.07Å; F322-L337 HydrophobicContact CZ-CB 4.11Å; L325-L337 HydrophobicContact CD2-CD1 3.91Å; L325-L337 HydrophobicContact CG-CD1 4.29Å; L326-L337 HydrophobicContact CD2-CB 4.03Å; L326-L337 HydrophobicContact CD2-CD1 4.09Å; L326-L337 HydrophobicContact CD2-CG 4.48Å; L333-L337 HydrophobicContact CD1-CD1 4.04Å; H335-L337 PolarHBondContact O-N 3.37Å; L337-N369 PolarHBondContact O-ND2 2.82Å; L337-L453 HydrophobicContact CD1-CD1 4.22Å; L337-L453 HydrophobicContact CD2-CD1 3.99Å
338	K	96.6	Very high	87.7	Confident	105 Å²	105	58 Å²	58	46%	0.457	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	140.1	172.3	-70.5	-169.5	175.3	-171.3	0	111.1	H301 L302 L303 N369	H301-K338 PolarHBondContact O-N 3.07Å; L302-K338 HydrophobicContact CD1-CB 4.18Å; L303-K338 PolarHBondContact N-O 3.25Å; K338-N369 CarbonylContact C-O 3.55Å; K338-N369 WeakPolarHBondContact CA-O 3.47Å
339	L	98.3	Very high	87.5	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	123.3	170.2	173.6	60.4	0	0	0	109.2	L303 I319 F322 L341 N369 V370 E371 L392	L303-L339 HydrophobicContact CB-CD1 4.08Å; L303-L339 CarbonylContact O-C 3.52Å; L303-L339 WeakPolarHBondContact O-CA 3.48Å; I319-L339 HydrophobicContact CG1-CD2 4.44Å; F322-L339 HydrophobicContact CB-CD2 3.88Å; F322-L339 HydrophobicContact CD1-CB 3.7Å; F322-L339 HydrophobicContact CD1-CD2 3.97Å; F322-L339 HydrophobicContact CD1-CG 4.49Å; F322-L339 HydrophobicContact CD2-CB 4.14Å; F322-L339 HydrophobicContact CE1-CB 3.65Å; F322-L339 HydrophobicContact CE2-CB 4.12Å; F322-L339 HydrophobicContact CG-CB 3.94Å; F322-L339 HydrophobicContact CG-CD2 3.94Å; F322-L339 HydrophobicContact CZ-CB 3.88Å; L339-L341 HydrophobicContact CD1-CD2 3.94Å; L339-L341 HydrophobicContact CD2-CD2 4.1Å; L339-L341 HydrophobicContact CD2-CG 4.47Å; L339-L341 HydrophobicContact CG-CD2 3.98Å; L339-L341 HydrophobicContact CG-CG 4.26Å; L339-N369 PolarHBondContact N-O 2.75Å; L339-V370 HydrophobicContact CB-CG2 4.29Å; L339-V370 HydrophobicContact CD2-CG1 4.45Å; L339-V370 HydrophobicContact CD2-CG2 4.29Å; L339-V370 CarbonylContact O-C 3.53Å; L339-V370 WeakPolarHBondContact O-CA 3.48Å; L339-E371 PolarHBondContact O-N 2.84Å; L339-L392 HydrophobicContact CD1-CD1 3.73Å
340	V	98.3	Very high	87.8	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.006	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	116	174.8	-176.3	0	0	0	0	109.5	L302 L303 V304 S305 I342 E371 K373 Y384	L302-V340 HydrophobicContact CD1-CB 4.29Å; L302-V340 HydrophobicContact CD1-CG2 3.42Å; L302-V340 VanDerWaalsContact CD1-CG2 3.42Å; L303-V340 PolarHBondContact O-N 3.5Å; V304-V340 WeakPolarHBondContact CA-O 3.31Å; V304-V340 HydrophobicContact CG1-CB 4.39Å; S305-V340 PolarHBondContact N-O 3.09Å; V340-I342 HydrophobicContact CG1-CD1 4.23Å; V340-I342 HydrophobicContact CG1-CG1 3.74Å; V340-E371 CarbonylContact C-O 3.52Å; V340-E371 WeakPolarHBondContact CA-O 3.31Å; V340-E371 HydrophobicContact CG2-CB 4.15Å; V340-K373 HydrophobicContact CG1-CB 4.29Å; V340-K373 HydrophobicContact CG1-CG 3.59Å; V340-Y384 HydrophobicContact CB-CD1 4.41Å; V340-Y384 HydrophobicContact CB-CE1 4.5Å; V340-Y384 HydrophobicContact CG1-CD1 4.05Å; V340-Y384 HydrophobicContact CG1-CE1 3.99Å; V340-Y384 HydrophobicContact CG2-CD1 4.18Å; V340-Y384 HydrophobicContact CG2-CE1 3.98Å
341	L	98.4	Very high	88.4	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	109.6	176.6	-58.6	-179.5	0	0	0	109	F309 I319 L339 V370 E371 F372 K373	F309-L341 HydrophobicContact CE1-CB 4.14Å; F309-L341 HydrophobicContact CZ-CB 4.28Å; I319-L341 HydrophobicContact CD1-CD1 3.86Å; I319-L341 HydrophobicContact CG1-CD1 3.87Å; L339-L341 HydrophobicContact CD1-CD2 3.94Å; L339-L341 HydrophobicContact CD2-CD2 4.1Å; L339-L341 HydrophobicContact CD2-CG 4.47Å; L339-L341 HydrophobicContact CG-CD2 3.98Å; L339-L341 HydrophobicContact CG-CG 4.26Å; L341-V370 HydrophobicContact CD1-CG1 4.19Å; L341-V370 HydrophobicContact CG-CG1 4.49Å; L341-E371 PolarHBondContact N-O 3.12Å; L341-F372 HydrophobicContact CB-CD1 4.13Å; L341-F372 HydrophobicContact CB-CE1 4.43Å; L341-F372 HydrophobicContact CD1-CD1 4.07Å; L341-F372 HydrophobicContact CD1-CE1 3.52Å; L341-F372 HydrophobicContact CD1-CZ 3.91Å; L341-K373 PolarHBondContact O-N 3.14Å
342	I	96.2	Very high	89.2	Confident	7 Å²	7	60 Å²	60	4%	0.036	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	124	-175.8	-49.7	177.5	0	0	0	109.6	S305 I306 G307 V340 K373 I376 L381 Y384	S305-I342 WeakPolarHBondContact O-CA 3.34Å; S305-I342 WeakPolarHBondContact O-CB 3.24Å; S305-I342 PolarHBondContact O-N 2.94Å; I306-I342 WeakPolarHBondContact CA-O 3.28Å; G307-I342 PolarHBondContact N-O 3.24Å; V340-I342 HydrophobicContact CG1-CD1 4.23Å; V340-I342 HydrophobicContact CG1-CG1 3.74Å; I342-K373 WeakPolarHBondContact CA-O 3.29Å; I342-K373 HydrophobicContact CB-CB 4.39Å; I342-K373 HydrophobicContact CG1-CB 4.02Å; I342-K373 HydrophobicContact CG2-CB 4.28Å; I342-I376 HydrophobicContact CD1-CD1 4.25Å; I342-I376 HydrophobicContact CG1-CD1 4.5Å; I342-I376 HydrophobicContact CG2-CD1 3.43Å; I342-I376 VanDerWaalsContact CG2-CD1 3.43Å; I342-I376 HydrophobicContact CG2-CG1 3.73Å; I342-L381 HydrophobicContact CD1-CD1 3.92Å; I342-L381 HydrophobicContact CG2-CD1 4.02Å; I342-Y384 HydrophobicContact CD1-CD2 4.21Å; I342-Y384 HydrophobicContact CD1-CG 3.97Å
343	G	90.2	Very high	89.9	Confident	11 Å²	11	55.3 Å²	55.3	11%	0.113	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	160.9	-174.6	0	0	0	0	0	115.6	G307 F309 K373 I374 N375	G307-G343 WeakPolarHBondContact O-CA 3.39Å; F309-G343 VanDerWaalsContact CE2-CA 3.5Å; G343-K373 PolarHBondContact N-O 2.62Å; G343-I374 WeakPolarHBondContact O-CA 3.47Å; G343-N375 PolarHBondContact O-N 3.5Å
344	G	84.5	Confident	90.6	Very high	19 Å²	19	54.1 Å²	54.1	20%	0.196	28%	0.281	C	S	.	.			trans	-84.9	139.9	173.2	0	0	0	0	0	112.4	F309 N375	F309-G344 PolarHBondContact N-O 3.42Å; G344-N375 WeakPolarHBondContact CA-OD1 3.5Å
345	C	86.3	Confident	91.5	Very high	13 Å²	13	55.5 Å²	55.5	9%	0.088	27%	0.273	C	S	.	.			trans	-112	119.1	161.8	-73.5	0	0	0	0	108.4	D350 E351 V354 I374 N375	C345-D350 HydrophobicContact CB-CB 3.94Å; C345-E351 HydrophobicContact CB-CG 4.27Å; C345-V354 VanDerWaalsContact SG-CG2 3.55Å; C345-I374 HydrophobicContact CB-CG2 3.7Å; C345-I374 VanDerWaalsContact SG-CG2 3.55Å; C345-N375 PolarHBondContact N-OD1 3.33Å; C345-N375 PolarHBondContact O-ND2 2.93Å; C345-N375 VanDerWaalsContact O-ND2 3.1Å; C345-N375 PolarHBondContact O-OD1 2.82Å
346	R	78.1	Confident	92.2	Very high	113 Å²	113	55.3 Å²	55.3	43%	0.426	27%	0.272	S	S	.	.			trans	-103.9	-23.4	-175.7	-63.2	-179.9	173.7	-172.1	-10.2	113	A74 G75 D350	A74-R346 PolarHBondContact O-NH2 2.77Å; A74-R346 VanDerWaalsContact O-NH2 3.14Å; G75-R346 PolarHBondContact O-NH2 3.05Å; R346-D350 PolarHBondContact N-OD2 2.8Å
347	N	82.4	Confident	92.6	Very high	62 Å²	62	52.1 Å²	52.1	33%	0.332	25%	0.249	S	C	.	.	S	Bend	trans	-149.9	174.8	-175.1	64.7	18.4	0	0	0	111.1	D349 D350 E351	N347-D349 PolarHBondContact O-N 2.98Å; N347-D349 PolarHBondContact OD1-N 3.28Å; N347-D350 PolarHBondContact O-N 3.05Å; N347-D350 VanDerWaalsContact O-N 3.15Å; N347-D350 PolarHBondContact OD1-N 3.14Å; N347-D350 PolarHBondContact OD1-OD1 3.22Å; N347-D350 PolarHBondContact OD1-OD2 2.8Å; N347-E351 PolarHBondContact O-N 2.74Å
348	K	88.7	Confident	92.8	Very high	174 Å²	174	56.5 Å²	56.5	76%	0.757	27%	0.266	S	S	*	.	H	α-helix	trans	-59.6	-29.6	179.8	-65.8	-174	177.5	-176.4	0	113.4	E351 F352	K348-E351 PolarHBondContact O-N 3.35Å; K348-F352 WeakPolarHBondContact O-CB 3.46Å; K348-F352 PolarHBondContact O-N 2.96Å
349	D	89	Confident	92.8	Very high	101 Å²	101	54.1 Å²	54.1	54%	0.54	26%	0.262	S	S	.	.	H	α-helix	trans	-71.1	-34.5	178.7	-60	-33.5	0	0	0	112.1	N347 R353	N347-D349 PolarHBondContact O-N 2.98Å; N347-D349 PolarHBondContact OD1-N 3.28Å; D349-R353 WeakPolarHBondContact O-CB 3.43Å; D349-R353 PolarHBondContact O-N 3.12Å; D349-R353 VanDerWaalsContact O-N 3.12Å; D349-R353 PolarHBondContact O-NH1 3.1Å
350	D	90.3	Very high	92.9	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-68.5	-44.2	173.7	-60.6	-19.8	0	0	0	110.4	R310 C345 R346 N347 R353 V354	R310-D350 IonicContact CZ-OD1 3.15Å; R310-D350 IonicContact CZ-OD2 3.53Å; R310-D350 IonicContact NE-OD1 2.67Å; R310-D350 IonicContact NH1-OD1 3.4Å; R310-D350 PolarHBondContact NH1-OD1 3.48Å; R310-D350 IonicContact NH1-OD2 3.28Å; R310-D350 IonicContact NH2-OD1 2.98Å; R310-D350 PolarHBondContact NH2-OD1 3.3Å; R310-D350 IonicContact NH2-OD2 3.77Å; R310-D350 PolarHBondContact NH2-OD2 2.82Å; C345-D350 HydrophobicContact CB-CB 3.94Å; R346-D350 PolarHBondContact N-OD2 2.8Å; N347-D350 PolarHBondContact O-N 3.05Å; N347-D350 VanDerWaalsContact O-N 3.15Å; N347-D350 PolarHBondContact OD1-N 3.14Å; N347-D350 PolarHBondContact OD1-OD1 3.22Å; N347-D350 PolarHBondContact OD1-OD2 2.8Å; D350-R353 WeakPolarHBondContact O-CB 3.47Å; D350-R353 PolarHBondContact O-N 3.08Å; D350-R353 IonicContact OD1-NH1 3.35Å; D350-V354 PolarHBondContact O-N 3.11Å
351	E	92.7	Very high	92.8	Very high	110 Å²	110	55.8 Å²	55.8	51%	0.514	27%	0.271	S	S	.	.	H	α-helix	trans	-60.2	-46.6	175.8	-69.2	174.2	-170.4	0	0	111.8	C345 N347 K348 R353 V354 N355	C345-E351 HydrophobicContact CB-CG 4.27Å; N347-E351 PolarHBondContact O-N 2.74Å; K348-E351 PolarHBondContact O-N 3.35Å; E351-R353 VanDerWaalsContact C-N 3.26Å; E351-R353 PolarHBondContact O-N 2.93Å; E351-V354 PolarHBondContact O-N 3.25Å; E351-N355 PolarHBondContact O-N 3.32Å; E351-N355 VanDerWaalsContact O-N 3.08Å
352	F	94.9	Very high	92.8	Very high	120 Å²	120	61.2 Å²	61.2	53%	0.526	30%	0.296	S	S	.	.	H	α-helix	trans	-57.7	-41.6	175.7	178.8	-102.2	0	0	0	111.5	K348 N355 Q356	K348-F352 WeakPolarHBondContact O-CB 3.46Å; K348-F352 PolarHBondContact O-N 2.96Å; F352-N355 WeakPolarHBondContact O-CB 3.43Å; F352-N355 PolarHBondContact O-N 3.33Å; F352-Q356 HydrophobicContact CD1-CG 4.29Å; F352-Q356 HydrophobicContact CE1-CG 3.91Å; F352-Q356 HydrophobicContact CZ-CG 4.12Å; F352-Q356 WeakPolarHBondContact O-CG 3.48Å; F352-Q356 PolarHBondContact O-N 2.83Å
353	R	95.2	Very high	92.9	Very high	45 Å²	45	67.5 Å²	67.5	17%	0.17	33%	0.33	C	S	.	.	H	α-helix	trans	-65.8	-39.5	177.5	-173.5	171.5	-59.9	92.2	15.4	112.8	F309 D349 D350 E351 N355 Q356 L357	F309-R353 WeakPolarHBondContact O-CD 3.37Å; F309-R353 PolarHBondContact O-NH1 3.18Å; D349-R353 WeakPolarHBondContact O-CB 3.43Å; D349-R353 PolarHBondContact O-N 3.12Å; D349-R353 VanDerWaalsContact O-N 3.12Å; D349-R353 PolarHBondContact O-NH1 3.1Å; D350-R353 WeakPolarHBondContact O-CB 3.47Å; D350-R353 PolarHBondContact O-N 3.08Å; D350-R353 IonicContact OD1-NH1 3.35Å; E351-R353 VanDerWaalsContact C-N 3.26Å; E351-R353 PolarHBondContact O-N 2.93Å; R353-N355 VanDerWaalsContact C-N 3.28Å; R353-N355 PolarHBondContact O-N 2.94Å; R353-Q356 PolarHBondContact O-N 3.49Å; R353-L357 HydrophobicContact CG-CD1 4.31Å; R353-L357 VanDerWaalsContact O-CG 3.31Å; R353-L357 WeakPolarHBondContact O-CG 3.33Å; R353-L357 PolarHBondContact O-N 3.41Å
354	V	96.8	Very high	93.3	Very high	2 Å²	2	70 Å²	70	1%	0.012	34%	0.34	C	S	.	.	H	α-helix	trans	-59.7	-42.9	173.6	173.3	0	0	0	0	110.5	F309 C345 D350 E351 Q356 L357 R358 F372 I374	F309-V354 HydrophobicContact CB-CG2 3.83Å; F309-V354 HydrophobicContact CD1-CG2 3.75Å; F309-V354 HydrophobicContact CD2-CG2 3.56Å; F309-V354 HydrophobicContact CE1-CG2 4.16Å; F309-V354 HydrophobicContact CE2-CG2 3.98Å; F309-V354 HydrophobicContact CG-CG2 3.42Å; F309-V354 VanDerWaalsContact CG-CG2 3.42Å; F309-V354 HydrophobicContact CZ-CG2 4.26Å; C345-V354 VanDerWaalsContact SG-CG2 3.55Å; D350-V354 PolarHBondContact O-N 3.11Å; E351-V354 PolarHBondContact O-N 3.25Å; V354-Q356 VanDerWaalsContact C-N 3.35Å; V354-Q356 PolarHBondContact O-N 2.87Å; V354-L357 PolarHBondContact O-N 3.31Å; V354-L357 VanDerWaalsContact O-N 3.15Å; V354-R358 HydrophobicContact CG1-CG 4.48Å; V354-R358 WeakPolarHBondContact O-CG 3.25Å; V354-R358 PolarHBondContact O-N 3.21Å; V354-F372 HydrophobicContact CG1-CD1 4.02Å; V354-F372 HydrophobicContact CG1-CG 4.43Å; V354-I374 HydrophobicContact CB-CD1 4.47Å; V354-I374 HydrophobicContact CG1-CD1 3.8Å; V354-I374 HydrophobicContact CG2-CD1 4.34Å
355	N	96.9	Very high	93.9	Very high	94 Å²	94	71.7 Å²	71.7	50%	0.503	36%	0.358	S	S	.	.	H	α-helix	trans	-62.1	-41.6	176.6	-66.8	-25.3	0	0	0	112.1	E351 F352 R353 L357 R358 S359	E351-N355 PolarHBondContact O-N 3.32Å; E351-N355 VanDerWaalsContact O-N 3.08Å; F352-N355 WeakPolarHBondContact O-CB 3.43Å; F352-N355 PolarHBondContact O-N 3.33Å; R353-N355 VanDerWaalsContact C-N 3.28Å; R353-N355 PolarHBondContact O-N 2.94Å; N355-L357 VanDerWaalsContact C-N 3.31Å; N355-L357 PolarHBondContact O-N 3.43Å; N355-R358 PolarHBondContact O-N 3.17Å; N355-S359 PolarHBondContact O-N 2.85Å; N355-S359 PolarHBondContact O-OG 3.34Å
356	Q	97.7	Very high	94.4	Very high	102 Å²	102	71.3 Å²	71.3	48%	0.477	36%	0.355	S	S	.	.	H	α-helix	trans	-60.9	-38.8	173.6	-68.1	-176.8	-49.8	0	0	112.7	F352 R353 V354 L360	F352-Q356 HydrophobicContact CD1-CG 4.29Å; F352-Q356 HydrophobicContact CE1-CG 3.91Å; F352-Q356 HydrophobicContact CZ-CG 4.12Å; F352-Q356 WeakPolarHBondContact O-CG 3.48Å; F352-Q356 PolarHBondContact O-N 2.83Å; R353-Q356 PolarHBondContact O-N 3.49Å; V354-Q356 VanDerWaalsContact C-N 3.35Å; V354-Q356 PolarHBondContact O-N 2.87Å; Q356-L360 PolarHBondContact O-N 3.48Å
357	L	98.3	Very high	95.3	Very high	13 Å²	13	69.8 Å²	69.8	7%	0.068	35%	0.353	C	S	.	.	H	α-helix	trans	-69.4	-35.7	176.6	-67.4	167.8	0	0	0	111.9	F309 H315 A316 I319 R353 V354 N355 L360 S361 F372	F309-L357 HydrophobicContact CD1-CD1 3.92Å; F309-L357 HydrophobicContact CE1-CD1 4.37Å; H315-L357 HydrophobicContact CB-CD1 3.69Å; H315-L357 HydrophobicContact CB-CD2 3.85Å; H315-L357 HydrophobicContact CB-CG 4.45Å; A316-L357 HydrophobicContact CB-CD2 4.19Å; I319-L357 HydrophobicContact CD1-CB 3.96Å; I319-L357 HydrophobicContact CD1-CD2 3.87Å; I319-L357 HydrophobicContact CD1-CG 4.47Å; R353-L357 HydrophobicContact CG-CD1 4.31Å; R353-L357 VanDerWaalsContact O-CG 3.31Å; R353-L357 WeakPolarHBondContact O-CG 3.33Å; R353-L357 PolarHBondContact O-N 3.41Å; V354-L357 PolarHBondContact O-N 3.31Å; V354-L357 VanDerWaalsContact O-N 3.15Å; N355-L357 VanDerWaalsContact C-N 3.31Å; N355-L357 PolarHBondContact O-N 3.43Å; L357-L360 WeakPolarHBondContact O-CB 3.48Å; L357-L360 PolarHBondContact O-N 2.86Å; L357-S361 PolarHBondContact O-N 3.47Å; L357-S361 PolarHBondContact O-OG 2.88Å; L357-F372 HydrophobicContact CB-CE1 3.58Å; L357-F372 HydrophobicContact CB-CZ 3.75Å; L357-F372 HydrophobicContact CD1-CE1 4.31Å
358	R	98.1	Very high	96	Very high	95 Å²	95	74 Å²	74	36%	0.358	37%	0.371	S	S	.	.	H	α-helix	trans	-62.6	-48.8	172.4	-71.3	179.8	-177.4	-77.1	4.8	111.5	V354 N355 L360 S361 E362 F372	V354-R358 HydrophobicContact CG1-CG 4.48Å; V354-R358 WeakPolarHBondContact O-CG 3.25Å; V354-R358 PolarHBondContact O-N 3.21Å; N355-R358 PolarHBondContact O-N 3.17Å; R358-L360 PolarHBondContact O-N 2.99Å; R358-S361 WeakPolarHBondContact O-CB 3.06Å; R358-S361 PolarHBondContact O-N 3.5Å; R358-E362 PolarHBondContact O-N 3.32Å; R358-F372 HydrophobicContact CB-CE2 4.43Å; R358-F372 HydrophobicContact CG-CD2 3.83Å; R358-F372 HydrophobicContact CG-CE2 3.64Å; R358-F372 HydrophobicContact CG-CG 4.39Å; R358-F372 HydrophobicContact CG-CZ 4.05Å
359	S	98.3	Very high	96.4	Very high	54 Å²	54	68.1 Å²	68.1	38%	0.378	35%	0.347	S	S	.	.	H	α-helix	trans	-60.9	-33.7	175.1	-58.1	0	0	0	0	112.3	N355 E362 N363	N355-S359 PolarHBondContact O-N 2.85Å; N355-S359 PolarHBondContact O-OG 3.34Å; S359-E362 PolarHBondContact O-N 3.42Å; S359-N363 WeakPolarHBondContact O-CB 3.41Å; S359-N363 PolarHBondContact O-N 2.84Å; S359-N363 PolarHBondContact O-ND2 3.49Å; S359-N363 VanDerWaalsContact O-ND2 3.09Å
360	L	98.5	Very high	96.8	Very high	35 Å²	35	63.8 Å²	63.8	18%	0.183	32%	0.324	C	S	.	.	H	α-helix	trans	-63.3	-44.9	172.5	177.7	63.4	0	0	0	111.6	A316 I319 Q356 L357 R358 E362 N363 L364	A316-L360 HydrophobicContact CB-CD2 3.74Å; I319-L360 HydrophobicContact CB-CD2 4.29Å; I319-L360 HydrophobicContact CD1-CD2 4.35Å; I319-L360 HydrophobicContact CG2-CD2 4.37Å; I319-L360 HydrophobicContact CG2-CG 4.26Å; Q356-L360 PolarHBondContact O-N 3.48Å; L357-L360 WeakPolarHBondContact O-CB 3.48Å; L357-L360 PolarHBondContact O-N 2.86Å; R358-L360 PolarHBondContact O-N 2.99Å; L360-E362 VanDerWaalsContact C-N 3.33Å; L360-E362 PolarHBondContact O-N 3.2Å; L360-N363 PolarHBondContact O-N 3.3Å; L360-L364 HydrophobicContact CD1-CD1 3.78Å; L360-L364 HydrophobicContact CD1-CG 4.14Å; L360-L364 HydrophobicContact CG-CD1 3.92Å; L360-L364 WeakPolarHBondContact O-CB 3.15Å; L360-L364 VanDerWaalsContact O-CG 3.31Å; L360-L364 WeakPolarHBondContact O-CG 3.31Å; L360-L364 PolarHBondContact O-N 2.96Å
361	S	98.3	Very high	97.2	Very high	2 Å²	2	67.2 Å²	67.2	1%	0.014	34%	0.34	C	S	.	.	H	α-helix	trans	-61.5	-40	176.1	-60	0	0	0	0	112.4	L357 R358 L364 G365 V366 Q367	L357-S361 PolarHBondContact O-N 3.47Å; L357-S361 PolarHBondContact O-OG 2.88Å; R358-S361 WeakPolarHBondContact O-CB 3.06Å; R358-S361 PolarHBondContact O-N 3.5Å; S361-L364 PolarHBondContact O-N 2.99Å; S361-G365 PolarHBondContact O-N 2.9Å; S361-G365 VanDerWaalsContact O-N 3.12Å; S361-V366 PolarHBondContact O-N 2.98Å; S361-Q367 PolarHBondContact O-N 2.81Å
362	E	98	Very high	97.4	Very high	114 Å²	114	62.7 Å²	62.7	53%	0.533	32%	0.319	S	S	.	.	H	α-helix	trans	-63.9	-47.7	175.2	-70	166.8	-168.8	0	0	111.7	R358 S359 L360 L364 G365 Q367	R358-E362 PolarHBondContact O-N 3.32Å; S359-E362 PolarHBondContact O-N 3.42Å; L360-E362 VanDerWaalsContact C-N 3.33Å; L360-E362 PolarHBondContact O-N 3.2Å; E362-L364 PolarHBondContact O-N 3.16Å; E362-G365 PolarHBondContact O-N 3.42Å; E362-Q367 HydrophobicContact CG-CB 3.94Å; E362-Q367 HydrophobicContact CG-CG 4.24Å
363	N	98.1	Very high	97.5	Very high	139 Å²	139	59 Å²	59	74%	0.743	30%	0.303	S	S	*	.	H	α-helix	trans	-62.7	-29.8	178.8	-72.1	-28	0	0	0	112.9	S359 L360 G365	S359-N363 WeakPolarHBondContact O-CB 3.41Å; S359-N363 PolarHBondContact O-N 2.84Å; S359-N363 PolarHBondContact O-ND2 3.49Å; S359-N363 VanDerWaalsContact O-ND2 3.09Å; L360-N363 PolarHBondContact O-N 3.3Å; N363-G365 VanDerWaalsContact C-N 3.35Å
364	L	98	Very high	97.4	Very high	63 Å²	63	59.9 Å²	59.9	33%	0.33	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-4.1	175.7	-67.5	171.8	0	0	0	112.9	I319 K320 A323 L360 S361 E362 V366	I319-L364 HydrophobicContact CG2-CD1 3.91Å; K320-L364 HydrophobicContact CG-CD1 3.96Å; A323-L364 HydrophobicContact CB-CB 4.03Å; A323-L364 HydrophobicContact CB-CD1 4.09Å; L360-L364 HydrophobicContact CD1-CD1 3.78Å; L360-L364 HydrophobicContact CD1-CG 4.14Å; L360-L364 HydrophobicContact CG-CD1 3.92Å; L360-L364 WeakPolarHBondContact O-CB 3.15Å; L360-L364 VanDerWaalsContact O-CG 3.31Å; L360-L364 WeakPolarHBondContact O-CG 3.31Å; L360-L364 PolarHBondContact O-N 2.96Å; S361-L364 PolarHBondContact O-N 2.99Å; E362-L364 PolarHBondContact O-N 3.16Å; L364-V366 HydrophobicContact CB-CG2 4.1Å
365	G	97.1	Very high	97	Very high	55 Å²	55	64.8 Å²	64.8	57%	0.567	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	22.9	178.8	0	0	0	0	0	114.9	S361 E362 N363 Q367	S361-G365 PolarHBondContact O-N 2.9Å; S361-G365 VanDerWaalsContact O-N 3.12Å; E362-G365 PolarHBondContact O-N 3.42Å; N363-G365 VanDerWaalsContact C-N 3.35Å; G365-Q367 VanDerWaalsContact C-OE1 3.28Å
366	V	97	Very high	96.6	Very high	4 Å²	4	62.1 Å²	62.1	2%	0.024	32%	0.322	C	S	.	.			trans	-118.6	13.1	-174.8	-60.9	0	0	0	0	113.7	I319 A323 L326 S361 L364 E368 N369 V370	I319-V366 HydrophobicContact CG2-CG2 4.29Å; A323-V366 HydrophobicContact CB-CG1 3.72Å; A323-V366 HydrophobicContact CB-CG2 4.1Å; L326-V366 HydrophobicContact CD1-CB 4.08Å; L326-V366 HydrophobicContact CD1-CG1 3.64Å; S361-V366 PolarHBondContact O-N 2.98Å; L364-V366 HydrophobicContact CB-CG2 4.1Å; V366-E368 PolarHBondContact O-N 2.97Å; V366-N369 PolarHBondContact O-N 3.13Å; V366-V370 HydrophobicContact CB-CG2 4.34Å; V366-V370 HydrophobicContact CG2-CG2 3.87Å; V366-V370 WeakPolarHBondContact O-CG2 3.31Å; V366-V370 PolarHBondContact O-N 2.66Å; V366-V370 VanDerWaalsContact O-N 3.08Å
367	Q	97.3	Very high	96	Very high	81 Å²	81	59.8 Å²	59.8	38%	0.379	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-31.1	-177	71.1	-74.5	-3.3	0	0	113.7	S361 E362 G365 N369	S361-Q367 PolarHBondContact O-N 2.81Å; E362-Q367 HydrophobicContact CG-CB 3.94Å; E362-Q367 HydrophobicContact CG-CG 4.24Å; G365-Q367 VanDerWaalsContact C-OE1 3.28Å; Q367-N369 VanDerWaalsContact C-N 3.28Å; Q367-N369 PolarHBondContact O-N 3.13Å
368	E	96.4	Very high	95.3	Very high	152 Å²	152	63.4 Å²	63.4	71%	0.71	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-20.7	177.2	-59.4	-55.1	138.8	0	0	112.9	V366	V366-E368 PolarHBondContact O-N 2.97Å
369	N	96.7	Very high	94.8	Very high	50 Å²	50	64.1 Å²	64.1	27%	0.267	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-10.2	179.1	-61.7	92.4	0	0	0	112.7	F322 L326 L337 K338 L339 V366 Q367	F322-N369 HydrophobicContact CE1-CB 3.75Å; F322-N369 HydrophobicContact CZ-CB 4.15Å; L326-N369 HydrophobicContact CD1-CB 3.88Å; L337-N369 PolarHBondContact O-ND2 2.82Å; K338-N369 CarbonylContact C-O 3.55Å; K338-N369 WeakPolarHBondContact CA-O 3.47Å; L339-N369 PolarHBondContact N-O 2.75Å; V366-N369 PolarHBondContact O-N 3.13Å; Q367-N369 VanDerWaalsContact C-N 3.28Å; Q367-N369 PolarHBondContact O-N 3.13Å
370	V	98.2	Very high	94.5	Very high	9 Å²	9	65.4 Å²	65.4	6%	0.055	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	114.3	-178.1	-177.8	0	0	0	0	110.7	F322 L339 L341 V366 F372	F322-V370 HydrophobicContact CD1-CG2 3.9Å; F322-V370 HydrophobicContact CE1-CG2 4.02Å; L339-V370 HydrophobicContact CB-CG2 4.29Å; L339-V370 HydrophobicContact CD2-CG1 4.45Å; L339-V370 HydrophobicContact CD2-CG2 4.29Å; L339-V370 CarbonylContact O-C 3.53Å; L339-V370 WeakPolarHBondContact O-CA 3.48Å; L341-V370 HydrophobicContact CD1-CG1 4.19Å; L341-V370 HydrophobicContact CG-CG1 4.49Å; V366-V370 HydrophobicContact CB-CG2 4.34Å; V366-V370 HydrophobicContact CG2-CG2 3.87Å; V366-V370 WeakPolarHBondContact O-CG2 3.31Å; V366-V370 PolarHBondContact O-N 2.66Å; V366-V370 VanDerWaalsContact O-N 3.08Å; V370-F372 HydrophobicContact CG1-CD2 4.36Å; V370-F372 HydrophobicContact CG1-CE2 3.73Å; V370-F372 HydrophobicContact CG1-CZ 4.07Å
371	E	97.9	Very high	94.1	Very high	72 Å²	72	64.8 Å²	64.8	34%	0.336	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	141.5	178.1	-172.9	174.7	-162.6	0	0	111	L339 V340 L341 K373	L339-E371 PolarHBondContact O-N 2.84Å; V340-E371 CarbonylContact C-O 3.52Å; V340-E371 WeakPolarHBondContact CA-O 3.31Å; V340-E371 HydrophobicContact CG2-CB 4.15Å; L341-E371 PolarHBondContact N-O 3.12Å; E371-K373 WeakPolarHBondContact OE1-CE 3.49Å; E371-K373 IonicContact OE1-NZ 3.68Å; E371-K373 PolarHBondContact OE1-NZ 2.88Å
372	F	98	Very high	93.8	Very high	16 Å²	16	67 Å²	67	7%	0.07	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	122.2	177.8	-65.9	-100.8	0	0	0	109.8	F309 I319 L341 V354 L357 R358 V370	F309-F372 HydrophobicContact CE1-CD1 4Å; F309-F372 HydrophobicContact CE1-CE1 4.42Å; F309-F372 HydrophobicContact CZ-CD1 4.17Å; I319-F372 HydrophobicContact CD1-CZ 4.09Å; L341-F372 HydrophobicContact CB-CD1 4.13Å; L341-F372 HydrophobicContact CB-CE1 4.43Å; L341-F372 HydrophobicContact CD1-CD1 4.07Å; L341-F372 HydrophobicContact CD1-CE1 3.52Å; L341-F372 HydrophobicContact CD1-CZ 3.91Å; V354-F372 HydrophobicContact CG1-CD1 4.02Å; V354-F372 HydrophobicContact CG1-CG 4.43Å; L357-F372 HydrophobicContact CB-CE1 3.58Å; L357-F372 HydrophobicContact CB-CZ 3.75Å; L357-F372 HydrophobicContact CD1-CE1 4.31Å; R358-F372 HydrophobicContact CB-CE2 4.43Å; R358-F372 HydrophobicContact CG-CD2 3.83Å; R358-F372 HydrophobicContact CG-CE2 3.64Å; R358-F372 HydrophobicContact CG-CG 4.39Å; R358-F372 HydrophobicContact CG-CZ 4.05Å; V370-F372 HydrophobicContact CG1-CD2 4.36Å; V370-F372 HydrophobicContact CG1-CE2 3.73Å; V370-F372 HydrophobicContact CG1-CZ 4.07Å
373	K	96.9	Very high	93.5	Very high	43 Å²	43	66.5 Å²	66.5	19%	0.187	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	101	179.5	-70.3	-70.7	151.7	164.2	0	109.6	V340 L341 I342 G343 E371 I376 Y384	V340-K373 HydrophobicContact CG1-CB 4.29Å; V340-K373 HydrophobicContact CG1-CG 3.59Å; L341-K373 PolarHBondContact O-N 3.14Å; I342-K373 WeakPolarHBondContact CA-O 3.29Å; I342-K373 HydrophobicContact CB-CB 4.39Å; I342-K373 HydrophobicContact CG1-CB 4.02Å; I342-K373 HydrophobicContact CG2-CB 4.28Å; G343-K373 PolarHBondContact N-O 2.62Å; E371-K373 WeakPolarHBondContact OE1-CE 3.49Å; E371-K373 IonicContact OE1-NZ 3.68Å; E371-K373 PolarHBondContact OE1-NZ 2.88Å; K373-I376 HydrophobicContact CB-CD1 4.24Å; K373-I376 HydrophobicContact CB-CG2 3.7Å; K373-I376 HydrophobicContact CD-CG2 4.03Å; K373-I376 HydrophobicContact CG-CG2 4.38Å; K373-Y384 HydrophobicContact CD-CE2 3.81Å; K373-Y384 WeakPolarHBondContact CE-OH 3.45Å; K373-Y384 HydrophobicContact CG-CE2 3.95Å; K373-Y384 PolarHBondContact NZ-OH 2.97Å
374	I	93.8	Very high	93.4	Very high	63 Å²	63	62.2 Å²	62.2	32%	0.323	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	127.7	-172	-50.6	170.9	0	0	0	109.4	F309 G343 C345 V354 I376	F309-I374 HydrophobicContact CE2-CG1 4.16Å; G343-I374 WeakPolarHBondContact O-CA 3.47Å; C345-I374 HydrophobicContact CB-CG2 3.7Å; C345-I374 VanDerWaalsContact SG-CG2 3.55Å; V354-I374 HydrophobicContact CB-CD1 4.47Å; V354-I374 HydrophobicContact CG1-CD1 3.8Å; V354-I374 HydrophobicContact CG2-CD1 4.34Å; I374-I376 PolarHBondContact O-N 2.64Å; I374-I376 VanDerWaalsContact O-N 3.17Å
375	N	86.8	Confident	93.2	Very high	105 Å²	105	59.2 Å²	59.2	56%	0.561	31%	0.309	S	S	*	.	S	Bend	trans	52.8	35.6	175	-63	-35.8	0	0	0	113.7	G343 G344 C345	G343-N375 PolarHBondContact O-N 3.5Å; G344-N375 WeakPolarHBondContact CA-OD1 3.5Å; C345-N375 PolarHBondContact N-OD1 3.33Å; C345-N375 PolarHBondContact O-ND2 2.93Å; C345-N375 VanDerWaalsContact O-ND2 3.1Å; C345-N375 PolarHBondContact O-OD1 2.82Å
376	I	89	Confident	92.9	Very high	37 Å²	37	58.6 Å²	58.6	19%	0.19	30%	0.295	C	S	.	.			trans	-67.2	160.4	178.5	64.9	171.3	0	0	0	111.9	I342 K373 I374 E380 L381 Y384	I342-I376 HydrophobicContact CD1-CD1 4.25Å; I342-I376 HydrophobicContact CG1-CD1 4.5Å; I342-I376 HydrophobicContact CG2-CD1 3.43Å; I342-I376 VanDerWaalsContact CG2-CD1 3.43Å; I342-I376 HydrophobicContact CG2-CG1 3.73Å; K373-I376 HydrophobicContact CB-CD1 4.24Å; K373-I376 HydrophobicContact CB-CG2 3.7Å; K373-I376 HydrophobicContact CD-CG2 4.03Å; K373-I376 HydrophobicContact CG-CG2 4.38Å; I374-I376 PolarHBondContact O-N 2.64Å; I374-I376 VanDerWaalsContact O-N 3.17Å; I376-E380 HydrophobicContact CB-CB 4.11Å; I376-E380 HydrophobicContact CD1-CB 3.97Å; I376-E380 HydrophobicContact CG1-CB 4.4Å; I376-L381 HydrophobicContact CD1-CB 4.04Å; I376-L381 HydrophobicContact CG1-CB 4.46Å; I376-Y384 HydrophobicContact CD1-CD2 4.16Å
377	S	85.3	Confident	92.7	Very high	54 Å²	54	62 Å²	62	38%	0.378	31%	0.311	S	S	.	.			trans	-65.8	158	173.6	64.7	0	0	0	0	111.9	D379 E380 L381	S377-D379 PolarHBondContact O-N 3.46Å; S377-E380 WeakPolarHBondContact CB-OE2 3.31Å; S377-E380 PolarHBondContact N-OE2 2.8Å; S377-E380 PolarHBondContact O-N 3.35Å; S377-E380 WeakPolarHBondContact OG-CB 3.31Å; S377-E380 VanDerWaalsContact OG-CG 3.24Å; S377-E380 WeakPolarHBondContact OG-CG 3.19Å; S377-E380 PolarHBondContact OG-N 3.02Å; S377-E380 PolarHBondContact OG-OE2 3.03Å; S377-L381 PolarHBondContact O-N 2.97Å
378	F	83.1	Confident	92.6	Very high	88 Å²	88	58.4 Å²	58.4	39%	0.386	30%	0.295	S	S	.	.	H	α-helix	trans	-62.2	-34.4	175.4	-178.6	-100.8	0	0	0	112	T286 F287 L381 K382	T286-F378 HydrophobicContact CG2-CE1 3.58Å; T286-F378 HydrophobicContact CG2-CZ 3.8Å; F287-F378 HydrophobicContact CE1-CE2 4.36Å; F287-F378 HydrophobicContact CE1-CZ 4.36Å; F287-F378 HydrophobicContact CE2-CE2 4.12Å; F287-F378 HydrophobicContact CE2-CZ 4.2Å; F287-F378 AromaticContact CZ-CE2 3.58Å; F287-F378 HydrophobicContact CZ-CE2 3.58Å; F287-F378 AromaticContact CZ-CZ 3.82Å; F287-F378 HydrophobicContact CZ-CZ 3.82Å; F378-L381 HydrophobicContact CD2-CD2 4.38Å; F378-L381 WeakPolarHBondContact O-CB 3.39Å; F378-L381 PolarHBondContact O-N 3.25Å; F378-K382 HydrophobicContact CD1-CD 4.11Å; F378-K382 HydrophobicContact CD1-CG 4.4Å; F378-K382 HydrophobicContact CE1-CD 3.65Å; F378-K382 HydrophobicContact CE1-CG 4.08Å; F378-K382 HydrophobicContact CZ-CD 4.25Å; F378-K382 HydrophobicContact CZ-CG 4.34Å; F378-K382 WeakPolarHBondContact O-CG 3.33Å; F378-K382 PolarHBondContact O-N 3.24Å
379	D	87.6	Confident	92.6	Very high	110 Å²	110	51.7 Å²	51.7	59%	0.588	27%	0.265	S	S	*	.	H	α-helix	trans	-67	-42.2	175.9	-65.2	-35.2	0	0	0	112.1	S377 L381 K382 N383	S377-D379 PolarHBondContact O-N 3.46Å; D379-L381 VanDerWaalsContact C-N 3.34Å; D379-L381 PolarHBondContact O-N 3.19Å; D379-K382 WeakPolarHBondContact O-CB 3.3Å; D379-K382 PolarHBondContact O-N 3.4Å; D379-N383 VanDerWaalsContact O-CG 3.3Å; D379-N383 PolarHBondContact O-N 3.08Å; D379-N383 PolarHBondContact O-ND2 3Å
380	E	91.3	Very high	92.6	Very high	82 Å²	82	49.3 Å²	49.3	38%	0.383	25%	0.252	S	S	.	.	H	α-helix	trans	-62.6	-41.5	172.8	-74.8	171.2	97	0	0	111.8	I376 S377 K382 N383 Y384	I376-E380 HydrophobicContact CB-CB 4.11Å; I376-E380 HydrophobicContact CD1-CB 3.97Å; I376-E380 HydrophobicContact CG1-CB 4.4Å; S377-E380 WeakPolarHBondContact CB-OE2 3.31Å; S377-E380 PolarHBondContact N-OE2 2.8Å; S377-E380 PolarHBondContact O-N 3.35Å; S377-E380 WeakPolarHBondContact OG-CB 3.31Å; S377-E380 VanDerWaalsContact OG-CG 3.24Å; S377-E380 WeakPolarHBondContact OG-CG 3.19Å; S377-E380 PolarHBondContact OG-N 3.02Å; S377-E380 PolarHBondContact OG-OE2 3.03Å; E380-K382 VanDerWaalsContact C-N 3.32Å; E380-K382 PolarHBondContact O-N 2.83Å; E380-N383 PolarHBondContact O-N 3.36Å; E380-Y384 VanDerWaalsContact O-CD2 3.3Å; E380-Y384 WeakPolarHBondContact O-CD2 3.22Å; E380-Y384 PolarHBondContact O-N 3.25Å
381	L	91.6	Very high	92.6	Very high	22 Å²	22	48.9 Å²	48.9	12%	0.115	25%	0.249	C	C	.	.	H	α-helix	trans	-57	-46.4	175	171.4	64.6	0	0	0	111.1	I306 I342 I376 S377 F378 D379 N383 Y384 L385	I306-L381 HydrophobicContact CD1-CD1 3.68Å; I306-L381 HydrophobicContact CG1-CD1 3.87Å; I342-L381 HydrophobicContact CD1-CD1 3.92Å; I342-L381 HydrophobicContact CG2-CD1 4.02Å; I376-L381 HydrophobicContact CD1-CB 4.04Å; I376-L381 HydrophobicContact CG1-CB 4.46Å; S377-L381 PolarHBondContact O-N 2.97Å; F378-L381 HydrophobicContact CD2-CD2 4.38Å; F378-L381 WeakPolarHBondContact O-CB 3.39Å; F378-L381 PolarHBondContact O-N 3.25Å; D379-L381 VanDerWaalsContact C-N 3.34Å; D379-L381 PolarHBondContact O-N 3.19Å; L381-N383 VanDerWaalsContact C-N 3.32Å; L381-N383 PolarHBondContact O-N 2.87Å; L381-Y384 PolarHBondContact O-N 3.26Å; L381-L385 HydrophobicContact CD1-CD1 4.03Å; L381-L385 HydrophobicContact CD1-CG 4.25Å; L381-L385 HydrophobicContact CG-CD1 4.03Å; L381-L385 WeakPolarHBondContact O-CB 3.48Å; L381-L385 WeakPolarHBondContact O-CG 3.29Å; L381-L385 PolarHBondContact O-N 2.94Å
382	K	90.9	Very high	92.7	Very high	47 Å²	47	45.8 Å²	45.8	20%	0.204	24%	0.235	C	C	.	.	H	α-helix	trans	-58.8	-42.7	176	-74.4	-175.9	71.8	173.3	0	112.2	T286 F287 F378 D379 E380 L385 S386	T286-K382 HydrophobicContact CG2-CD 3.86Å; T286-K382 VanDerWaalsContact CG2-NZ 3.28Å; T286-K382 WeakPolarHBondContact O-CE 3.41Å; T286-K382 PolarHBondContact O-NZ 3.39Å; F287-K382 HydrophobicContact CD1-CG 4.24Å; F287-K382 HydrophobicContact CE1-CG 3.83Å; F378-K382 HydrophobicContact CD1-CD 4.11Å; F378-K382 HydrophobicContact CD1-CG 4.4Å; F378-K382 HydrophobicContact CE1-CD 3.65Å; F378-K382 HydrophobicContact CE1-CG 4.08Å; F378-K382 HydrophobicContact CZ-CD 4.25Å; F378-K382 HydrophobicContact CZ-CG 4.34Å; F378-K382 WeakPolarHBondContact O-CG 3.33Å; F378-K382 PolarHBondContact O-N 3.24Å; D379-K382 WeakPolarHBondContact O-CB 3.3Å; D379-K382 PolarHBondContact O-N 3.4Å; E380-K382 VanDerWaalsContact C-N 3.32Å; E380-K382 PolarHBondContact O-N 2.83Å; K382-L385 PolarHBondContact O-N 3.36Å; K382-S386 WeakPolarHBondContact O-CB 3.36Å; K382-S386 PolarHBondContact O-N 3.45Å; K382-S386 PolarHBondContact O-OG 3.43Å
383	N	92.5	Very high	92.7	Very high	105 Å²	105	45.8 Å²	45.8	56%	0.561	24%	0.235	S	C	*	.	H	α-helix	trans	-64.2	-41.7	179.1	-67.5	-21.6	0	0	0	112.1	D379 E380 L381 L385 S386 E387	D379-N383 VanDerWaalsContact O-CG 3.3Å; D379-N383 PolarHBondContact O-N 3.08Å; D379-N383 PolarHBondContact O-ND2 3Å; E380-N383 PolarHBondContact O-N 3.36Å; L381-N383 VanDerWaalsContact C-N 3.32Å; L381-N383 PolarHBondContact O-N 2.87Å; N383-L385 VanDerWaalsContact C-N 3.35Å; N383-S386 PolarHBondContact O-OG 3.33Å; N383-E387 PolarHBondContact O-N 3.41Å
384	Y	94.7	Very high	92.7	Very high	48 Å²	48	43.8 Å²	43.8	19%	0.188	23%	0.226	C	C	.	.	H	α-helix	trans	-64.8	-41.1	174.7	-84	-71.6	0	0	0	112	L302 V340 I342 K373 I376 E380 L381 E387 A388	L302-Y384 HydrophobicContact CD2-CD1 4.15Å; L302-Y384 WeakPolarHBondContact CD2-O 3.36Å; V340-Y384 HydrophobicContact CB-CD1 4.41Å; V340-Y384 HydrophobicContact CB-CE1 4.5Å; V340-Y384 HydrophobicContact CG1-CD1 4.05Å; V340-Y384 HydrophobicContact CG1-CE1 3.99Å; V340-Y384 HydrophobicContact CG2-CD1 4.18Å; V340-Y384 HydrophobicContact CG2-CE1 3.98Å; I342-Y384 HydrophobicContact CD1-CD2 4.21Å; I342-Y384 HydrophobicContact CD1-CG 3.97Å; K373-Y384 HydrophobicContact CD-CE2 3.81Å; K373-Y384 WeakPolarHBondContact CE-OH 3.45Å; K373-Y384 HydrophobicContact CG-CE2 3.95Å; K373-Y384 PolarHBondContact NZ-OH 2.97Å; I376-Y384 HydrophobicContact CD1-CD2 4.16Å; E380-Y384 VanDerWaalsContact O-CD2 3.3Å; E380-Y384 WeakPolarHBondContact O-CD2 3.22Å; E380-Y384 PolarHBondContact O-N 3.25Å; L381-Y384 PolarHBondContact O-N 3.26Å; Y384-E387 PolarHBondContact O-N 2.84Å; Y384-A388 WeakPolarHBondContact O-CB 3.41Å; Y384-A388 PolarHBondContact O-N 3.02Å; Y384-A388 VanDerWaalsContact O-N 3.11Å
385	L	93.8	Very high	92.8	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-67.3	-37.8	178.4	-81.4	173.7	0	0	0	113	F287 V304 I306 L381 K382 N383 E387 A388 A410 T412	F287-L385 HydrophobicContact CD1-CD1 3.83Å; F287-L385 HydrophobicContact CE1-CD1 3.41Å; F287-L385 VanDerWaalsContact CE1-CD1 3.41Å; F287-L385 HydrophobicContact CZ-CD1 4.19Å; V304-L385 HydrophobicContact CG2-CD2 3.85Å; I306-L385 HydrophobicContact CD1-CD1 3.66Å; I306-L385 HydrophobicContact CD1-CD2 3.49Å; I306-L385 VanDerWaalsContact CD1-CD2 3.49Å; I306-L385 HydrophobicContact CD1-CG 3.83Å; L381-L385 HydrophobicContact CD1-CD1 4.03Å; L381-L385 HydrophobicContact CD1-CG 4.25Å; L381-L385 HydrophobicContact CG-CD1 4.03Å; L381-L385 WeakPolarHBondContact O-CB 3.48Å; L381-L385 WeakPolarHBondContact O-CG 3.29Å; L381-L385 PolarHBondContact O-N 2.94Å; K382-L385 PolarHBondContact O-N 3.36Å; N383-L385 VanDerWaalsContact C-N 3.35Å; L385-E387 VanDerWaalsContact C-N 3.28Å; L385-E387 PolarHBondContact O-N 2.87Å; L385-A388 PolarHBondContact O-N 3.34Å; L385-A410 HydrophobicContact CB-CB 3.71Å; L385-A410 HydrophobicContact CD1-CB 4.14Å; L385-A410 HydrophobicContact CD2-CB 4.25Å; L385-A410 HydrophobicContact CG-CB 4.27Å; L385-T412 HydrophobicContact CD2-CG2 4.21Å
386	S	92.4	Very high	93.1	Very high	41 Å²	41	42.7 Å²	42.7	29%	0.287	21%	0.211	S	C	.	.	H	α-helix	trans	-65.5	-33.3	178.4	65.5	0	0	0	0	112.4	K382 N383	K382-S386 WeakPolarHBondContact O-CB 3.36Å; K382-S386 PolarHBondContact O-N 3.45Å; K382-S386 PolarHBondContact O-OG 3.43Å; N383-S386 PolarHBondContact O-OG 3.33Å
387	E	92.7	Very high	93.3	Very high	77 Å²	77	41.9 Å²	41.9	36%	0.36	21%	0.207	S	C	.	.	H	α-helix	trans	-88.4	-9.1	178	-63.8	-52.7	123.6	0	0	113.4	K296 L302 N383 Y384 L385	K296-E387 WeakPolarHBondContact CE-O 3.38Å; K296-E387 PolarHBondContact NZ-O 2.84Å; L302-E387 HydrophobicContact CD2-CB 4.02Å; N383-E387 PolarHBondContact O-N 3.41Å; Y384-E387 PolarHBondContact O-N 2.84Å; L385-E387 VanDerWaalsContact C-N 3.28Å; L385-E387 PolarHBondContact O-N 2.87Å
388	A	95.1	Very high	93.6	Very high	5 Å²	5	40.1 Å²	40.1	4%	0.041	19%	0.193	C	C	.	.			trans	-75.2	139.4	-175.6	0	0	0	0	0	112.8	L302 V304 Y384 L385 T412	L302-A388 HydrophobicContact CD2-CB 4.34Å; L302-A388 HydrophobicContact CG-CB 4.47Å; V304-A388 HydrophobicContact CB-CB 4.18Å; V304-A388 HydrophobicContact CG1-CB 3.64Å; V304-A388 HydrophobicContact CG2-CB 3.45Å; V304-A388 VanDerWaalsContact CG2-CB 3.45Å; Y384-A388 WeakPolarHBondContact O-CB 3.41Å; Y384-A388 PolarHBondContact O-N 3.02Å; Y384-A388 VanDerWaalsContact O-N 3.11Å; L385-A388 PolarHBondContact O-N 3.34Å; A388-T412 HydrophobicContact CB-CG2 3.65Å
389	T	95.4	Very high	94	Very high	11 Å²	11	37.8 Å²	37.8	7%	0.067	18%	0.183	C	C	.	.	S	Bend	trans	-87.1	-45.9	168.5	-61.9	0	0	0	0	110.9	K296 H301 L302 V413 L453	K296-T389 WeakPolarHBondContact CE-OG1 3.37Å; K296-T389 PolarHBondContact NZ-OG1 3.34Å; H301-T389 PolarHBondContact ND1-OG1 2.87Å; L302-T389 PolarHBondContact O-N 3.41Å; T389-V413 PolarHBondContact O-N 3.43Å; T389-L453 HydrophobicContact CG2-CD2 4.25Å
390	I	97.9	Very high	94.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	131	-175.3	-53	-176.5	0	0	0	109.7	L302 L303 V304 L392 V413 L415 M449 I452 L453	L302-I390 PolarHBondContact O-N 2.93Å; L303-I390 WeakPolarHBondContact CA-O 3.17Å; L303-I390 HydrophobicContact CB-CB 4.48Å; L303-I390 HydrophobicContact CD2-CB 4.27Å; L303-I390 HydrophobicContact CD2-CD1 4.03Å; L303-I390 HydrophobicContact CG-CB 3.98Å; L303-I390 HydrophobicContact CG-CD1 4.25Å; L303-I390 HydrophobicContact CG-CG1 4.33Å; V304-I390 PolarHBondContact N-O 3.41Å; I390-L392 HydrophobicContact CG2-CD2 3.74Å; I390-L392 HydrophobicContact CG2-CG 4.22Å; I390-V413 VanDerWaalsContact CA-O 3.28Å; I390-V413 WeakPolarHBondContact CA-O 3.32Å; I390-V413 WeakPolarHBondContact CG2-O 3.16Å; I390-L415 HydrophobicContact CG2-CB 4.01Å; I390-M449 HydrophobicContact CD1-CB 4.41Å; I390-M449 HydrophobicContact CD1-CG 4.34Å; I390-I452 HydrophobicContact CD1-CB 3.91Å; I390-I452 HydrophobicContact CD1-CD1 4.23Å; I390-I452 HydrophobicContact CD1-CG2 3.7Å; I390-I452 HydrophobicContact CG1-CG2 3.78Å; I390-L453 HydrophobicContact CD1-CD2 4.08Å; I390-L453 HydrophobicContact CD1-CG 4.05Å
391	G	98.3	Very high	94.3	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.1	164.8	0	0	0	0	0	109.7	V304 V413 I414 L415	V304-G391 CarbonylContact O-C 3.56Å; V304-G391 WeakPolarHBondContact O-CA 3.08Å; G391-V413 PolarHBondContact N-O 2.91Å; G391-I414 WeakPolarHBondContact O-CD1 3.46Å; G391-L415 PolarHBondContact O-N 3.19Å
392	L	98.5	Very high	94.3	Very high	6 Å²	6	29.8 Å²	29.8	3%	0.031	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	138.9	-179.3	-66.6	179.8	0	0	0	111.5	L303 V304 L339 I390 L415 M449	L303-L392 HydrophobicContact CB-CD1 4.25Å; L303-L392 HydrophobicContact CD2-CD1 4.15Å; V304-L392 PolarHBondContact O-N 2.84Å; L339-L392 HydrophobicContact CD1-CD1 3.73Å; I390-L392 HydrophobicContact CG2-CD2 3.74Å; I390-L392 HydrophobicContact CG2-CG 4.22Å; L392-L415 WeakPolarHBondContact CA-O 3.28Å; L392-L415 HydrophobicContact CD2-CB 4.05Å; L392-L415 HydrophobicContact CD2-CD2 3.85Å; L392-L415 HydrophobicContact CD2-CG 4.14Å; L392-M449 HydrophobicContact CD1-SD 4.13Å; L392-M449 HydrophobicContact CD2-CG 4.23Å; L392-M449 HydrophobicContact CD2-SD 4.05Å
393	H	98.3	Very high	94.4	Very high	16 Å²	16	28.4 Å²	28.4	7%	0.074	14%	0.143	C	C	.	.			trans	-145.8	127.6	172.2	172.7	-86.7	0	0	0	110.8	E398 V404 L415 A416 H417 Y445	H393-E398 VanDerWaalsContact CE1-CB 3.45Å; H393-E398 WeakPolarHBondContact CE1-CB 3.46Å; H393-E398 IonicContact NE2-OE2 2.74Å; H393-E398 PolarHBondContact NE2-OE2 3.28Å; H393-V404 HydrophobicContact CB-CG2 3.81Å; H393-L415 PolarHBondContact N-O 2.95Å; H393-A416 HydrophobicContact CB-CB 4.05Å; H393-A416 CarbonylContact O-C 3.48Å; H393-A416 VanDerWaalsContact O-C 3.32Å; H393-A416 VanDerWaalsContact O-CA 3.3Å; H393-A416 WeakPolarHBondContact O-CA 3.28Å; H393-H417 PolarHBondContact O-N 3.13Å; H393-Y445 PolarHBondContact O-OH 3.08Å
394	T	97.8	Very high	94.6	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.006	12%	0.116	C	C	.	.			trans	-126	3.5	-169.9	43.6	0	0	0	0	115.3	K313 N314 L317 Q318 W396 Y445	K313-T394 PolarHBondContact O-OG1 2.95Å; N314-T394 PolarHBondContact O-OG1 3.46Å; L317-T394 HydrophobicContact CB-CG2 4.24Å; L317-T394 HydrophobicContact CD2-CG2 3.93Å; L317-T394 HydrophobicContact CG-CG2 4.03Å; Q318-T394 HydrophobicContact CB-CG2 4.49Å; Q318-T394 HydrophobicContact CG-CG2 3.35Å; Q318-T394 VanDerWaalsContact CG-OG1 3.29Å; Q318-T394 WeakPolarHBondContact CG-OG1 3.43Å; Q318-T394 PolarHBondContact NE2-OG1 3.29Å; T394-W396 PolarHBondContact O-N 2.85Å; T394-Y445 WeakPolarHBondContact CA-OH 3.37Å; T394-Y445 HydrophobicContact CG2-CD1 4.44Å; T394-Y445 HydrophobicContact CG2-CE1 3.81Å; T394-Y445 HydrophobicContact CG2-CE2 4.03Å
395	M	95.5	Very high	94.6	Very high	12 Å²	12	21.2 Å²	21.2	6%	0.059	11%	0.107	C	C	.	.			trans	-68.6	119.7	178.5	178.3	160.8	167.7	0	0	110.6	E312 K313 E398 H417	E312-M395 HydrophobicContact CB-CE 4.13Å; E312-M395 HydrophobicContact CB-SD 4.19Å; E312-M395 HydrophobicContact CG-CE 3.82Å; E312-M395 HydrophobicContact CG-SD 3.73Å; E312-M395 VanDerWaalsContact O-CG 3.3Å; E312-M395 WeakPolarHBondContact O-CG 3.46Å; K313-M395 HydrophobicContact CD-CB 4.17Å; K313-M395 HydrophobicContact CD-SD 3.72Å; K313-M395 PolarHBondContact NZ-SD 3.27Å; M395-E398 HydrophobicContact CB-CB 4.04Å; M395-E398 HydrophobicContact CG-CB 3.95Å; M395-E398 HydrophobicContact SD-CB 4.43Å; M395-H417 WeakPolarHBondContact O-CB 3.32Å
396	W	93.9	Very high	94.6	Very high	134 Å²	134	22.9 Å²	22.9	51%	0.508	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	133.6	170.8	178.7	65.6	0	0	0	110.2	D205 V209 T394 E398 H417	D205-W396 HydrophobicContact CB-CH2 4.39Å; V209-W396 HydrophobicContact CG2-CH2 3.66Å; V209-W396 HydrophobicContact CG2-CZ3 4.14Å; T394-W396 PolarHBondContact O-N 2.85Å; W396-E398 PolarHBondContact O-N 3.38Å; W396-H417 AromaticContact CD1-CE1 3.54Å; W396-H417 AromaticContact CD1-NE2 3.93Å
397	N	91.6	Very high	94.7	Very high	19 Å²	19	21 Å²	21	10%	0.102	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	40.4	-175.7	-75.5	-22.5	0	0	0	113.5	D205 W260 H399 S419	D205-N397 PolarHBondContact OD2-ND2 3.11Å; W260-N397 HydrophobicContact CZ2-CB 4.07Å; N397-H399 PolarHBondContact O-N 3.27Å; N397-H399 PolarHBondContact O-ND1 3.11Å; N397-H399 VanDerWaalsContact O-ND1 3.17Å; N397-S419 PolarHBondContact N-OG 3.39Å; N397-S419 WeakPolarHBondContact OD1-CB 3.34Å
398	E	92.9	Very high	94.9	Very high	18 Å²	18	17.3 Å²	17.3	8%	0.084	9%	0.085	C	C	.	.			trans	-52.8	128.6	168	176.2	65.2	-120.5	0	0	109.7	K313 H393 M395 W396 F400 G420 G421 P422	K313-E398 IonicContact NZ-OE1 2.82Å; K313-E398 IonicContact NZ-OE2 3.23Å; K313-E398 PolarHBondContact NZ-OE2 3.3Å; H393-E398 VanDerWaalsContact CE1-CB 3.45Å; H393-E398 WeakPolarHBondContact CE1-CB 3.46Å; H393-E398 IonicContact NE2-OE2 2.74Å; H393-E398 PolarHBondContact NE2-OE2 3.28Å; M395-E398 HydrophobicContact CB-CB 4.04Å; M395-E398 HydrophobicContact CG-CB 3.95Å; M395-E398 HydrophobicContact SD-CB 4.43Å; W396-E398 PolarHBondContact O-N 3.38Å; E398-F400 PolarHBondContact O-N 2.73Å; E398-G420 CarbonylContact O-C 3.59Å; E398-G420 WeakPolarHBondContact O-CA 3.27Å; E398-G421 PolarHBondContact O-N 3.04Å; E398-P422 HydrophobicContact CB-CG 3.88Å; E398-P422 HydrophobicContact CG-CG 4.05Å; E398-P422 WeakPolarHBondContact O-CD 3.38Å
399	H	91.3	Very high	94.9	Very high	38 Å²	38	17.1 Å²	17.1	18%	0.176	8%	0.083	C	C	.	.	S	Bend	trans	-69.1	-42.1	-168.4	-43.9	-40.4	0	0	0	110.8	H198 Y199 S258 W260 N397	H198-H399 VanDerWaalsContact O-CB 3.32Å; H198-H399 WeakPolarHBondContact O-CB 3.44Å; Y199-H399 AromaticContact CD2-CD2 3.79Å; Y199-H399 AromaticContact CD2-CE1 3Å; Y199-H399 WeakPolarHBondContact CD2-CE1 3.39Å; Y199-H399 AromaticContact CD2-CG 3.82Å; Y199-H399 AromaticContact CD2-ND1 3.34Å; Y199-H399 VanDerWaalsContact CD2-ND1 3.34Å; Y199-H399 WeakPolarHBondContact CD2-ND1 3.36Å; Y199-H399 AromaticContact CD2-NE2 3.29Å; Y199-H399 VanDerWaalsContact CD2-NE2 3.29Å; Y199-H399 WeakPolarHBondContact CD2-NE2 3.48Å; Y199-H399 AromaticContact CE2-CE1 3.31Å; Y199-H399 WeakPolarHBondContact CE2-CE1 3.25Å; Y199-H399 AromaticContact CE2-ND1 3.88Å; Y199-H399 AromaticContact CE2-NE2 3.89Å; Y199-H399 AromaticContact CG-CE1 3.86Å; Y199-H399 AromaticContact CG-NE2 3.67Å; S258-H399 WeakPolarHBondContact CB-O 3.4Å; S258-H399 PolarHBondContact OG-O 3.43Å; W260-H399 HydrophobicContact CE3-CB 4.04Å; W260-H399 AromaticContact CE3-ND1 3.86Å; W260-H399 AromaticContact CH2-ND1 3.46Å; W260-H399 WeakPolarHBondContact CH2-ND1 3.5Å; W260-H399 HydrophobicContact CZ3-CB 4.03Å; W260-H399 AromaticContact CZ3-CG 3.84Å; W260-H399 AromaticContact CZ3-ND1 3.21Å; W260-H399 WeakPolarHBondContact CZ3-ND1 3.2Å; N397-H399 PolarHBondContact O-N 3.27Å; N397-H399 PolarHBondContact O-ND1 3.11Å; N397-H399 VanDerWaalsContact O-ND1 3.17Å
400	F	93.3	Very high	94.9	Very high	5 Å²	5	16.7 Å²	16.7	2%	0.022	8%	0.08	C	C	.	.	S	Bend	trans	-132.3	-71.4	172.1	179.7	-105.1	0	0	0	110.7	N257 Y279 P280 E398 I402 V405 G421 P422 I426 F474	N257-F400 WeakPolarHBondContact O-CD2 3.38Å; Y279-F400 HydrophobicContact CD1-CD2 4.05Å; Y279-F400 AromaticContact CD1-CE2 3.51Å; Y279-F400 HydrophobicContact CD1-CE2 3.51Å; Y279-F400 HydrophobicContact CD1-CZ 4.46Å; Y279-F400 HydrophobicContact CE1-CE2 4.24Å; Y279-F400 HydrophobicContact CG-CE2 4.17Å; P280-F400 HydrophobicContact CG-CB 4.2Å; P280-F400 HydrophobicContact CG-CD1 3.14Å; P280-F400 HydrophobicContact CG-CD2 4.13Å; P280-F400 HydrophobicContact CG-CE1 3.37Å; P280-F400 HydrophobicContact CG-CE2 4.32Å; P280-F400 HydrophobicContact CG-CG 3.54Å; P280-F400 HydrophobicContact CG-CZ 3.96Å; E398-F400 PolarHBondContact O-N 2.73Å; F400-I402 HydrophobicContact CD1-CG1 3.9Å; F400-I402 HydrophobicContact CE1-CG1 4.19Å; F400-V405 HydrophobicContact CE1-CG2 3.76Å; F400-V405 HydrophobicContact CZ-CG2 3.84Å; F400-G421 CarbonylContact O-C 3.56Å; F400-P422 WeakPolarHBondContact O-CD 3.44Å; F400-I426 HydrophobicContact CD1-CD1 4.4Å; F400-I426 HydrophobicContact CD2-CD1 4.39Å; F400-I426 HydrophobicContact CE1-CD1 4.25Å; F400-I426 HydrophobicContact CE2-CD1 4.22Å; F400-I426 HydrophobicContact CE2-CG1 4.15Å; F400-I426 HydrophobicContact CG-CD1 4.48Å; F400-I426 HydrophobicContact CZ-CD1 4.17Å; F400-I426 HydrophobicContact CZ-CG1 4.29Å; F400-I426 WeakPolarHBondContact O-CD1 3.49Å; F400-F474 AromaticContact CE2-CD1 3.85Å; F400-F474 HydrophobicContact CE2-CD1 3.85Å; F400-F474 AromaticContact CE2-CE1 3.57Å; F400-F474 HydrophobicContact CE2-CE1 3.57Å; F400-F474 HydrophobicContact CE2-CZ 4.18Å; F400-F474 HydrophobicContact CZ-CB 4.48Å; F400-F474 AromaticContact CZ-CD1 3.49Å; F400-F474 HydrophobicContact CZ-CD1 3.49Å; F400-F474 VanDerWaalsContact CZ-CD1 3.49Å; F400-F474 HydrophobicContact CZ-CD2 4.49Å; F400-F474 AromaticContact CZ-CE1 3.64Å; F400-F474 HydrophobicContact CZ-CE1 3.64Å; F400-F474 AromaticContact CZ-CG 3.92Å; F400-F474 HydrophobicContact CZ-CG 3.92Å; F400-F474 HydrophobicContact CZ-CZ 4.19Å
401	G	92.9	Very high	94.7	Very high	4 Å²	4	16.7 Å²	16.7	4%	0.041	8%	0.081	C	C	.	.			trans	104.7	63.9	-179	0	0	0	0	0	114	G403 V404 V405 I426	G401-G403 VanDerWaalsContact C-N 3.29Å; G401-G403 PolarHBondContact O-N 2.91Å; G401-V404 WeakPolarHBondContact O-CA 3.5Å; G401-V404 VanDerWaalsContact O-CB 3.23Å; G401-V404 WeakPolarHBondContact O-CB 3.42Å; G401-V404 PolarHBondContact O-N 3.26Å; G401-V405 PolarHBondContact O-N 3.35Å; G401-I426 WeakPolarHBondContact O-CD1 3.38Å
402	I	91	Very high	94.6	Very high	38 Å²	38	16.7 Å²	16.7	20%	0.195	8%	0.081	C	C	.	.	H	α-helix	trans	-54.6	-44.6	177.5	-64.2	175.9	0	0	0	111.3	P280 F400 V404 V405 E406	P280-I402 HydrophobicContact CB-CD1 4.39Å; P280-I402 HydrophobicContact CG-CD1 4.48Å; P280-I402 HydrophobicContact CG-CG1 4.23Å; F400-I402 HydrophobicContact CD1-CG1 3.9Å; F400-I402 HydrophobicContact CE1-CG1 4.19Å; I402-V404 PolarHBondContact O-N 3.44Å; I402-V405 WeakPolarHBondContact O-CA 3.37Å; I402-V405 WeakPolarHBondContact O-CB 3.36Å; I402-V405 PolarHBondContact O-N 3.35Å; I402-E406 HydrophobicContact CG2-CG 4.17Å; I402-E406 WeakPolarHBondContact O-CG 3.46Å; I402-E406 PolarHBondContact O-N 2.9Å
403	G	91.9	Very high	94.6	Very high	18 Å²	18	16.5 Å²	16.5	19%	0.186	8%	0.08	C	C	.	.	H	α-helix	trans	-61.6	-25.7	177.7	0	0	0	0	0	114	G401 C407	G401-G403 VanDerWaalsContact C-N 3.29Å; G401-G403 PolarHBondContact O-N 2.91Å; G403-C407 WeakPolarHBondContact O-CB 3.29Å; G403-C407 PolarHBondContact O-N 2.85Å; G403-C407 PolarHBondContact O-SG 3.11Å; G403-C407 VanDerWaalsContact O-SG 3.32Å
404	V	96.5	Very high	94.6	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.006	8%	0.076	C	C	.	.	H	α-helix	trans	-69.5	-44.8	173.7	-173.4	0	0	0	0	109.7	H393 G401 I402 C407 M408 I414 A416 P422 I426 V427	H393-V404 HydrophobicContact CB-CG2 3.81Å; G401-V404 WeakPolarHBondContact O-CA 3.5Å; G401-V404 VanDerWaalsContact O-CB 3.23Å; G401-V404 WeakPolarHBondContact O-CB 3.42Å; G401-V404 PolarHBondContact O-N 3.26Å; I402-V404 PolarHBondContact O-N 3.44Å; V404-C407 PolarHBondContact O-N 2.86Å; V404-M408 WeakPolarHBondContact O-CG 3.41Å; V404-M408 PolarHBondContact O-N 2.68Å; V404-I414 HydrophobicContact CB-CD1 4.31Å; V404-I414 HydrophobicContact CG1-CD1 3.69Å; V404-I414 HydrophobicContact CG1-CG1 3.55Å; V404-A416 HydrophobicContact CG1-CB 4.21Å; V404-P422 HydrophobicContact CG2-CG 4.29Å; V404-I426 HydrophobicContact CB-CD1 4.15Å; V404-I426 HydrophobicContact CB-CG2 4.25Å; V404-I426 HydrophobicContact CG1-CB 4.43Å; V404-I426 HydrophobicContact CG1-CD1 4.46Å; V404-I426 HydrophobicContact CG1-CG2 3.65Å; V404-V427 HydrophobicContact CG1-CG2 3.94Å
405	V	95.8	Very high	94.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.4	-43.6	174.8	-176.8	0	0	0	0	111	C282 V284 F400 G401 I402 M408 A409 I426 I471 F474	C282-V405 HydrophobicContact CB-CG1 4.04Å; V284-V405 HydrophobicContact CG1-CG1 3.74Å; F400-V405 HydrophobicContact CE1-CG2 3.76Å; F400-V405 HydrophobicContact CZ-CG2 3.84Å; G401-V405 PolarHBondContact O-N 3.35Å; I402-V405 WeakPolarHBondContact O-CA 3.37Å; I402-V405 WeakPolarHBondContact O-CB 3.36Å; I402-V405 PolarHBondContact O-N 3.35Å; V405-M408 PolarHBondContact O-N 3.35Å; V405-A409 WeakPolarHBondContact O-CB 3.45Å; V405-A409 PolarHBondContact O-N 3.24Å; V405-I426 HydrophobicContact CG2-CD1 3.72Å; V405-I426 HydrophobicContact CG2-CG1 4.04Å; V405-I426 HydrophobicContact CG2-CG2 4.07Å; V405-I471 HydrophobicContact CG1-CB 4.2Å; V405-I471 HydrophobicContact CG1-CG2 4.1Å; V405-F474 HydrophobicContact CB-CD2 4.48Å; V405-F474 HydrophobicContact CG1-CB 4.03Å; V405-F474 HydrophobicContact CG1-CD2 3.8Å; V405-F474 HydrophobicContact CG1-CG 4.29Å; V405-F474 HydrophobicContact CG2-CD2 3.78Å; V405-F474 HydrophobicContact CG2-CE2 4.11Å; V405-F474 HydrophobicContact CG2-CG 4.25Å
406	E	93.3	Very high	94.8	Very high	36 Å²	36	15.1 Å²	15.1	17%	0.168	7%	0.073	C	C	.	.	H	α-helix	trans	-62.4	-43.8	177.8	-67.2	173.4	162.3	0	0	111.7	F287 I402 M408 A409 A410	F287-E406 HydrophobicContact CD2-CB 4.19Å; F287-E406 HydrophobicContact CD2-CG 4.12Å; F287-E406 HydrophobicContact CE2-CB 3.9Å; F287-E406 HydrophobicContact CE2-CG 3.6Å; F287-E406 HydrophobicContact CZ-CB 4.26Å; F287-E406 HydrophobicContact CZ-CG 4.24Å; I402-E406 HydrophobicContact CG2-CG 4.17Å; I402-E406 WeakPolarHBondContact O-CG 3.46Å; I402-E406 PolarHBondContact O-N 2.9Å; E406-M408 PolarHBondContact O-N 3.46Å; E406-A409 PolarHBondContact O-N 3.12Å; E406-A410 WeakPolarHBondContact O-CB 3.33Å; E406-A410 PolarHBondContact O-N 3.3Å
407	C	95.7	Very high	95	Very high	2 Å²	2	9.4 Å²	9.4	1%	0.014	5%	0.052	C	C	.	.	H	α-helix	trans	-59.7	-42.7	173.3	-82.6	0	0	0	0	112.5	G403 V404 G411 T412 I414	G403-C407 WeakPolarHBondContact O-CB 3.29Å; G403-C407 PolarHBondContact O-N 2.85Å; G403-C407 PolarHBondContact O-SG 3.11Å; G403-C407 VanDerWaalsContact O-SG 3.32Å; V404-C407 PolarHBondContact O-N 2.86Å; C407-G411 PolarHBondContact O-N 2.96Å; C407-T412 VanDerWaalsContact C-OG1 3.25Å; C407-T412 WeakPolarHBondContact CB-OG1 3.48Å; C407-T412 PolarHBondContact O-N 2.88Å; C407-T412 PolarHBondContact O-OG1 3.45Å; C407-I414 HydrophobicContact CB-CD1 3.63Å
408	M	96.9	Very high	95.3	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-66	-43.5	175.4	-71.9	175.4	74.8	0	0	111.4	V404 V405 E406 A410 G411 I414 I426 V427 A467 R468 S470 I471	V404-M408 WeakPolarHBondContact O-CG 3.41Å; V404-M408 PolarHBondContact O-N 2.68Å; V405-M408 PolarHBondContact O-N 3.35Å; E406-M408 PolarHBondContact O-N 3.46Å; M408-A410 VanDerWaalsContact C-N 3.34Å; M408-A410 PolarHBondContact O-N 3.42Å; M408-G411 PolarHBondContact O-N 2.84Å; M408-I414 HydrophobicContact CG-CB 3.87Å; M408-I414 HydrophobicContact CG-CG1 4.4Å; M408-I414 HydrophobicContact CG-CG2 3.64Å; M408-I414 HydrophobicContact SD-CG2 4.01Å; M408-I426 HydrophobicContact SD-CG2 3.38Å; M408-I426 WeakPolarHBondContact SD-CG2 3.49Å; M408-V427 HydrophobicContact SD-CG2 4.49Å; M408-A467 HydrophobicContact CB-CB 4.18Å; M408-A467 HydrophobicContact CE-CB 3.63Å; M408-A467 HydrophobicContact CG-CB 4.24Å; M408-R468 WeakPolarHBondContact O-CG 3.44Å; M408-S470 WeakPolarHBondContact CE-OG 3.47Å; M408-I471 HydrophobicContact CB-CG2 3.97Å; M408-I471 HydrophobicContact CE-CG2 4.01Å; M408-I471 HydrophobicContact SD-CG2 4.22Å
409	A	95.1	Very high	95.5	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-61.2	-43.5	178	0	0	0	0	0	111.4	V284 F287 V405 E406 G411 R468 I471	V284-A409 HydrophobicContact CB-CB 4.32Å; V284-A409 HydrophobicContact CG1-CB 4.46Å; F287-A409 CarbonylContact C-O 3.3Å; F287-A409 HydrophobicContact CB-CB 3.55Å; F287-A409 HydrophobicContact CG-CB 4.41Å; V405-A409 WeakPolarHBondContact O-CB 3.45Å; V405-A409 PolarHBondContact O-N 3.24Å; E406-A409 PolarHBondContact O-N 3.12Å; A409-G411 PolarHBondContact O-N 2.88Å; A409-G411 VanDerWaalsContact O-N 3.12Å; A409-R468 VanDerWaalsContact O-CZ 3.29Å; A409-R468 PolarHBondContact O-NE 2.74Å; A409-R468 PolarHBondContact O-NH2 2.75Å; A409-I471 HydrophobicContact CB-CD1 3.31Å
410	A	94.3	Very high	95.6	Very high	2 Å²	2	8.5 Å²	8.5	2%	0.017	5%	0.051	C	C	.	.	H	α-helix	trans	-66.7	-13.5	176.8	0	0	0	0	0	112.9	F287 I290 L385 E406 M408 R468	F287-A410 HydrophobicContact CB-CB 4.26Å; F287-A410 HydrophobicContact CD1-CB 4.19Å; I290-A410 HydrophobicContact CD1-CB 3.96Å; L385-A410 HydrophobicContact CB-CB 3.71Å; L385-A410 HydrophobicContact CD1-CB 4.14Å; L385-A410 HydrophobicContact CD2-CB 4.25Å; L385-A410 HydrophobicContact CG-CB 4.27Å; E406-A410 WeakPolarHBondContact O-CB 3.33Å; E406-A410 PolarHBondContact O-N 3.3Å; M408-A410 VanDerWaalsContact C-N 3.34Å; M408-A410 PolarHBondContact O-N 3.42Å; A410-R468 VanDerWaalsContact C-NH2 3.31Å; A410-R468 PolarHBondContact O-NH2 3.18Å
411	G	94.9	Very high	95.8	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.01	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	42.4	-179.7	0	0	0	0	0	111.6	C407 M408 A409 R464	C407-G411 PolarHBondContact O-N 2.96Å; M408-G411 PolarHBondContact O-N 2.84Å; A409-G411 PolarHBondContact O-N 2.88Å; A409-G411 VanDerWaalsContact O-N 3.12Å; G411-R464 WeakPolarHBondContact O-CD 3.38Å; G411-R464 VanDerWaalsContact O-CZ 3.32Å; G411-R464 PolarHBondContact O-NE 3.43Å; G411-R464 PolarHBondContact O-NH2 2.93Å
412	T	96	Very high	96	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.048	C	C	.	.			trans	-88.6	156.4	161.5	68.6	0	0	0	0	109.5	V304 L385 A388 C407 I414	V304-T412 HydrophobicContact CG2-CG2 4.5Å; L385-T412 HydrophobicContact CD2-CG2 4.21Å; A388-T412 HydrophobicContact CB-CG2 3.65Å; C407-T412 VanDerWaalsContact C-OG1 3.25Å; C407-T412 WeakPolarHBondContact CB-OG1 3.48Å; C407-T412 PolarHBondContact O-N 2.88Å; C407-T412 PolarHBondContact O-OG1 3.45Å; T412-I414 PolarHBondContact O-N 2.99Å
413	V	98.1	Very high	96.3	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.006	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	109.2	163.4	-179.5	0	0	0	0	107.1	T389 I390 G391 F437 I452 R460 I463 R464	T389-V413 PolarHBondContact O-N 3.43Å; I390-V413 VanDerWaalsContact CA-O 3.28Å; I390-V413 WeakPolarHBondContact CA-O 3.32Å; I390-V413 WeakPolarHBondContact CG2-O 3.16Å; G391-V413 PolarHBondContact N-O 2.91Å; V413-F437 HydrophobicContact CG1-CD2 3.83Å; V413-F437 HydrophobicContact CG1-CE2 3.83Å; V413-I452 HydrophobicContact CB-CG2 3.89Å; V413-I452 HydrophobicContact CG1-CD1 4.03Å; V413-I452 HydrophobicContact CG1-CG1 4.05Å; V413-I452 HydrophobicContact CG1-CG2 3.71Å; V413-I452 HydrophobicContact CG2-CG2 4.28Å; V413-R460 HydrophobicContact CG2-CB 4.11Å; V413-R460 HydrophobicContact CG2-CG 4.13Å; V413-I463 HydrophobicContact CG1-CG2 4.25Å; V413-R464 HydrophobicContact CG2-CG 3.99Å
414	I	98.4	Very high	96.6	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	134.4	-177.2	-170.7	75.5	0	0	0	110.9	G391 V404 C407 M408 T412 A416 V427 G436 F437	G391-I414 WeakPolarHBondContact O-CD1 3.46Å; V404-I414 HydrophobicContact CB-CD1 4.31Å; V404-I414 HydrophobicContact CG1-CD1 3.69Å; V404-I414 HydrophobicContact CG1-CG1 3.55Å; C407-I414 HydrophobicContact CB-CD1 3.63Å; M408-I414 HydrophobicContact CG-CB 3.87Å; M408-I414 HydrophobicContact CG-CG1 4.4Å; M408-I414 HydrophobicContact CG-CG2 3.64Å; M408-I414 HydrophobicContact SD-CG2 4.01Å; T412-I414 PolarHBondContact O-N 2.99Å; I414-A416 HydrophobicContact CG1-CB 4.29Å; I414-V427 HydrophobicContact CG1-CG2 4.3Å; I414-V427 HydrophobicContact CG2-CG1 4.11Å; I414-V427 HydrophobicContact CG2-CG2 3.87Å; I414-G436 CarbonylContact O-C 3.54Å; I414-G436 WeakPolarHBondContact O-CA 3.47Å; I414-F437 PolarHBondContact O-N 3.38Å
415	L	98.8	Very high	96.6	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	101.6	168	172.6	58.4	0	0	0	108.5	I390 G391 L392 H393 F437 A439 Y445 M449 I452	I390-L415 HydrophobicContact CG2-CB 4.01Å; G391-L415 PolarHBondContact O-N 3.19Å; L392-L415 WeakPolarHBondContact CA-O 3.28Å; L392-L415 HydrophobicContact CD2-CB 4.05Å; L392-L415 HydrophobicContact CD2-CD2 3.85Å; L392-L415 HydrophobicContact CD2-CG 4.14Å; H393-L415 PolarHBondContact N-O 2.95Å; L415-F437 WeakPolarHBondContact CA-O 3.31Å; L415-F437 HydrophobicContact CD1-CB 3.76Å; L415-A439 HydrophobicContact CD1-CB 3.89Å; L415-Y445 HydrophobicContact CD1-CD1 4.36Å; L415-Y445 HydrophobicContact CD1-CE1 4.38Å; L415-Y445 HydrophobicContact CD2-CD1 3.78Å; L415-Y445 HydrophobicContact CD2-CE1 4.38Å; L415-Y445 HydrophobicContact CG-CD1 3.82Å; L415-Y445 HydrophobicContact CG-CE1 3.91Å; L415-M449 HydrophobicContact CD2-CG 3.63Å; L415-I452 HydrophobicContact CB-CD1 4.08Å; L415-I452 HydrophobicContact CD2-CD1 4.32Å
416	A	98.5	Very high	96.7	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	166.1	-174	0	0	0	0	0	112.7	H393 V404 I414 P422 V427 F437 L438 A439	H393-A416 HydrophobicContact CB-CB 4.05Å; H393-A416 CarbonylContact O-C 3.48Å; H393-A416 VanDerWaalsContact O-C 3.32Å; H393-A416 VanDerWaalsContact O-CA 3.3Å; H393-A416 WeakPolarHBondContact O-CA 3.28Å; V404-A416 HydrophobicContact CG1-CB 4.21Å; I414-A416 HydrophobicContact CG1-CB 4.29Å; A416-P422 HydrophobicContact CB-CB 3.91Å; A416-V427 HydrophobicContact CB-CG2 4.08Å; A416-F437 PolarHBondContact N-O 3.4Å; A416-L438 HydrophobicContact CB-CD2 4.03Å; A416-L438 CarbonylContact O-C 3.14Å; A416-L438 VanDerWaalsContact O-CA 3.24Å; A416-L438 WeakPolarHBondContact O-CA 3.44Å; A416-A439 PolarHBondContact O-N 2.92Å
417	H	98.4	Very high	97	Very high	14 Å²	14	11.9 Å²	11.9	7%	0.065	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	135.6	175	-163.4	-64.5	0	0	0	111	H393 M395 W396 S419 A439 Y445	H393-H417 PolarHBondContact O-N 3.13Å; M395-H417 WeakPolarHBondContact O-CB 3.32Å; W396-H417 AromaticContact CD1-CE1 3.54Å; W396-H417 AromaticContact CD1-NE2 3.93Å; H417-S419 PolarHBondContact ND1-OG 2.95Å; H417-S419 PolarHBondContact O-N 3.44Å; H417-A439 CarbonylContact C-O 3.58Å; H417-A439 VanDerWaalsContact CA-O 3.26Å; H417-A439 WeakPolarHBondContact CA-O 3.5Å; H417-Y445 WeakPolarHBondContact CA-OH 3.36Å; H417-Y445 WeakPolarHBondContact CB-OH 3.25Å; H417-Y445 PolarHBondContact N-OH 2.88Å
418	N	98	Very high	97.1	Very high	42 Å²	42	14.3 Å²	14.3	23%	0.225	7%	0.074	C	C	.	.	S	Bend	trans	-74.8	50.7	179.4	-169.7	24	0	0	0	113.2	K423 L438 A439 E440	N418-K423 WeakPolarHBondContact O-CD 3.36Å; N418-K423 VanDerWaalsContact OD1-CD 3.23Å; N418-K423 WeakPolarHBondContact OD1-CD 3.03Å; N418-K423 WeakPolarHBondContact OD1-CE 3.15Å; N418-K423 PolarHBondContact OD1-NZ 3.5Å; N418-L438 HydrophobicContact CB-CB 3.85Å; N418-A439 PolarHBondContact N-O 3.49Å; N418-E440 HydrophobicContact CB-CG 3.52Å; N418-E440 WeakPolarHBondContact CB-OE1 3.25Å; N418-E440 PolarHBondContact ND2-OE1 3.48Å
419	S	96	Very high	97.1	Very high	11 Å²	11	18.9 Å²	18.9	8%	0.077	10%	0.103	C	C	.	.	S	Bend	trans	-157.1	166.5	179	66.1	0	0	0	0	110.9	N397 H417 P422	N397-S419 PolarHBondContact N-OG 3.39Å; N397-S419 WeakPolarHBondContact OD1-CB 3.34Å; H417-S419 PolarHBondContact ND1-OG 2.95Å; H417-S419 PolarHBondContact O-N 3.44Å; S419-P422 WeakPolarHBondContact O-CD 3.4Å
420	G	95.1	Very high	97.2	Very high	4 Å²	4	21.1 Å²	21.1	4%	0.041	11%	0.114	C	C	.	.	H	α-helix	trans	66.7	-158	173	0	0	0	0	0	114.8	E398 P422 K423 L424	E398-G420 CarbonylContact O-C 3.59Å; E398-G420 WeakPolarHBondContact O-CA 3.27Å; G420-P422 VanDerWaalsContact C-CD 3.49Å; G420-K423 PolarHBondContact O-N 3.34Å; G420-L424 WeakPolarHBondContact O-CG 3.3Å; G420-L424 PolarHBondContact O-N 3.46Å
421	G	96.5	Very high	97.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-55.8	-39.2	174.9	0	0	0	0	0	114.4	E398 F400 K423 L424 D425 I426	E398-G421 PolarHBondContact O-N 3.04Å; F400-G421 CarbonylContact O-C 3.56Å; G421-K423 VanDerWaalsContact C-N 3.29Å; G421-K423 PolarHBondContact O-N 2.89Å; G421-L424 PolarHBondContact O-N 3.32Å; G421-D425 WeakPolarHBondContact O-CA 3.49Å; G421-D425 WeakPolarHBondContact O-CB 3.45Å; G421-D425 PolarHBondContact O-N 3.07Å; G421-I426 PolarHBondContact O-N 2.83Å; G421-I426 VanDerWaalsContact O-N 3.14Å
422	P	97.6	Very high	97.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.184	C	C	.	.	I	π-helix	trans	-56.1	-41.8	176	-29.2	37.1	0	0	0	113.4	E398 F400 V404 A416 S419 G420 V427	E398-P422 HydrophobicContact CB-CG 3.88Å; E398-P422 HydrophobicContact CG-CG 4.05Å; E398-P422 WeakPolarHBondContact O-CD 3.38Å; F400-P422 WeakPolarHBondContact O-CD 3.44Å; V404-P422 HydrophobicContact CG2-CG 4.29Å; A416-P422 HydrophobicContact CB-CB 3.91Å; S419-P422 WeakPolarHBondContact O-CD 3.4Å; G420-P422 VanDerWaalsContact C-CD 3.49Å; P422-V427 WeakPolarHBondContact O-CB 3.33Å; P422-V427 PolarHBondContact O-N 2.99Å
423	K	97.8	Very high	97.3	Very high	87 Å²	87	37.4 Å²	37.4	38%	0.378	21%	0.207	S	C	.	.	I	π-helix	trans	-76.2	-45.1	177.8	175.6	-177.4	-168.4	157.1	0	113.2	N418 G420 G421 I428 L438	N418-K423 WeakPolarHBondContact O-CD 3.36Å; N418-K423 VanDerWaalsContact OD1-CD 3.23Å; N418-K423 WeakPolarHBondContact OD1-CD 3.03Å; N418-K423 WeakPolarHBondContact OD1-CE 3.15Å; N418-K423 PolarHBondContact OD1-NZ 3.5Å; G420-K423 PolarHBondContact O-N 3.34Å; G421-K423 VanDerWaalsContact C-N 3.29Å; G421-K423 PolarHBondContact O-N 2.89Å; K423-I428 WeakPolarHBondContact O-CG2 3.4Å; K423-L438 HydrophobicContact CB-CD1 4.11Å; K423-L438 HydrophobicContact CG-CD1 4.03Å
424	L	97.2	Very high	97.3	Very high	74 Å²	74	40.8 Å²	40.8	39%	0.387	23%	0.225	S	C	.	.	I	π-helix	trans	-82.9	-31.9	-168.7	-65.8	178.5	0	0	0	112.7	W260 G420 G421	W260-L424 HydrophobicContact CB-CD1 3.92Å; G420-L424 WeakPolarHBondContact O-CG 3.3Å; G420-L424 PolarHBondContact O-N 3.46Å; G421-L424 PolarHBondContact O-N 3.32Å
425	D	97.5	Very high	97.3	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.011	23%	0.225	C	C	.	.	I	π-helix	trans	-122.8	-36.2	-166.2	-58.4	-70.8	0	0	0	113	S258 S259 Y279 G421 R473 F474	S258-D425 VanDerWaalsContact CB-OD2 3.31Å; S258-D425 WeakPolarHBondContact CB-OD2 3.45Å; S259-D425 WeakPolarHBondContact CB-OD1 3.48Å; S259-D425 PolarHBondContact N-OD1 3.2Å; S259-D425 VanDerWaalsContact N-OD1 3.1Å; S259-D425 PolarHBondContact N-OD2 2.77Å; S259-D425 PolarHBondContact OG-OD1 3.02Å; Y279-D425 HydrophobicContact CE1-CB 3.87Å; Y279-D425 PolarHBondContact OH-OD1 2.92Å; Y279-D425 VanDerWaalsContact OH-OD1 3.11Å; G421-D425 WeakPolarHBondContact O-CA 3.49Å; G421-D425 WeakPolarHBondContact O-CB 3.45Å; G421-D425 PolarHBondContact O-N 3.07Å; D425-R473 PolarHBondContact O-NH2 3.3Å; D425-F474 WeakPolarHBondContact O-CZ 3.35Å
426	I	97.8	Very high	97.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.229	C	C	.	.	I	π-helix	trans	-99.6	-64.8	-167.2	-58.3	173.6	0	0	0	112.3	F400 G401 V404 V405 M408 G421 I428 R473 F474	F400-I426 HydrophobicContact CD1-CD1 4.4Å; F400-I426 HydrophobicContact CD2-CD1 4.39Å; F400-I426 HydrophobicContact CE1-CD1 4.25Å; F400-I426 HydrophobicContact CE2-CD1 4.22Å; F400-I426 HydrophobicContact CE2-CG1 4.15Å; F400-I426 HydrophobicContact CG-CD1 4.48Å; F400-I426 HydrophobicContact CZ-CD1 4.17Å; F400-I426 HydrophobicContact CZ-CG1 4.29Å; F400-I426 WeakPolarHBondContact O-CD1 3.49Å; G401-I426 WeakPolarHBondContact O-CD1 3.38Å; V404-I426 HydrophobicContact CB-CD1 4.15Å; V404-I426 HydrophobicContact CB-CG2 4.25Å; V404-I426 HydrophobicContact CG1-CB 4.43Å; V404-I426 HydrophobicContact CG1-CD1 4.46Å; V404-I426 HydrophobicContact CG1-CG2 3.65Å; V405-I426 HydrophobicContact CG2-CD1 3.72Å; V405-I426 HydrophobicContact CG2-CG1 4.04Å; V405-I426 HydrophobicContact CG2-CG2 4.07Å; M408-I426 HydrophobicContact SD-CG2 3.38Å; M408-I426 WeakPolarHBondContact SD-CG2 3.49Å; G421-I426 PolarHBondContact O-N 2.83Å; G421-I426 VanDerWaalsContact O-N 3.14Å; I426-I428 PolarHBondContact O-N 3.06Å; I426-R473 PolarHBondContact O-NH2 3.42Å; I426-F474 HydrophobicContact CG1-CE2 4.21Å; I426-F474 HydrophobicContact CG1-CZ 3.98Å; I426-F474 HydrophobicContact CG2-CE2 4.49Å
427	V	98.1	Very high	97.3	Very high	10 Å²	10	42.8 Å²	42.8	6%	0.061	24%	0.236	C	C	.	.	S	Bend	trans	-87.5	63.5	-176.7	-167	0	0	0	0	109.1	V404 M408 I414 A416 P422 L438	V404-V427 HydrophobicContact CG1-CG2 3.94Å; M408-V427 HydrophobicContact SD-CG2 4.49Å; I414-V427 HydrophobicContact CG1-CG2 4.3Å; I414-V427 HydrophobicContact CG2-CG1 4.11Å; I414-V427 HydrophobicContact CG2-CG2 3.87Å; A416-V427 HydrophobicContact CB-CG2 4.08Å; P422-V427 WeakPolarHBondContact O-CB 3.33Å; P422-V427 PolarHBondContact O-N 2.99Å; V427-L438 HydrophobicContact CB-CD2 3.93Å; V427-L438 HydrophobicContact CB-CG 4.35Å; V427-L438 HydrophobicContact CG1-CD2 4.18Å; V427-L438 HydrophobicContact CG1-CG 4.22Å; V427-L438 HydrophobicContact CG2-CD2 4.25Å
428	I	97.4	Very high	97.3	Very high	52 Å²	52	44.7 Å²	44.7	27%	0.267	25%	0.246	S	C	.	.			trans	-111.8	152.6	178.5	61.1	171.4	0	0	0	110.1	K423 I426 H430 T435	K423-I428 WeakPolarHBondContact O-CG2 3.4Å; I426-I428 PolarHBondContact O-N 3.06Å; I428-H430 PolarHBondContact O-N 2.98Å; I428-T435 WeakPolarHBondContact O-CG2 3.28Å; I428-T435 PolarHBondContact O-OG1 3.24Å
429	P	97.4	Very high	97.3	Very high	96 Å²	96	43 Å²	43	62%	0.623	24%	0.238	S	C	*	.			trans	-57.2	137.2	175.6	-24.4	34.2	0	0	0	111.9	Q433	P429-Q433 CarbonylContact C-O 3.54Å; P429-Q433 WeakPolarHBondContact CA-O 3.25Å
430	H	96.7	Very high	97.4	Very high	48 Å²	48	47.7 Å²	47.7	22%	0.222	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-112.7	118.8	173.9	-178	68.2	0	0	0	108.4	I428 G432 Q433 T435 A469	I428-H430 PolarHBondContact O-N 2.98Å; H430-G432 PolarHBondContact O-N 2.83Å; H430-Q433 PolarHBondContact N-O 2.96Å; H430-Q433 WeakPolarHBondContact O-CA 3.4Å; H430-Q433 WeakPolarHBondContact O-CB 3.23Å; H430-Q433 PolarHBondContact O-N 2.88Å; H430-T435 HydrophobicContact CB-CG2 3.63Å; H430-A469 WeakPolarHBondContact NE2-CB 3.47Å
431	E	95.1	Very high	97.5	Very high	171 Å²	171	50.5 Å²	50.5	80%	0.799	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	36.5	-173.5	-56.2	-175.4	164	0	0	112.9	Q433	E431-Q433 PolarHBondContact O-N 2.82Å
432	G	95.9	Very high	97.6	Very high	68 Å²	68	54.2 Å²	54.2	70%	0.701	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	-2	-176.1	0	0	0	0	0	114.7	H430	H430-G432 PolarHBondContact O-N 2.83Å
433	Q	97.6	Very high	97.6	Very high	105 Å²	105	58.4 Å²	58.4	49%	0.491	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-95.2	149.6	-179.9	-57.1	-61.2	-47.5	0	0	112.2	P429 H430 E431 N466	P429-Q433 CarbonylContact C-O 3.54Å; P429-Q433 WeakPolarHBondContact CA-O 3.25Å; H430-Q433 PolarHBondContact N-O 2.96Å; H430-Q433 WeakPolarHBondContact O-CA 3.4Å; H430-Q433 WeakPolarHBondContact O-CB 3.23Å; H430-Q433 PolarHBondContact O-N 2.88Å; E431-Q433 PolarHBondContact O-N 2.82Å; Q433-N466 VanDerWaalsContact CB-ND2 3.32Å; Q433-N466 WeakPolarHBondContact CB-ND2 3.46Å
434	I	97.8	Very high	97.6	Very high	73 Å²	73	55.1 Å²	55.1	37%	0.374	31%	0.306	S	S	.	.			trans	-68.7	137.7	178.2	-168.2	171.1	0	0	0	111.3	G436 F437 I463 N466	I434-G436 WeakPolarHBondContact CD1-O 3.4Å; I434-G436 WeakPolarHBondContact CG1-O 3.34Å; I434-F437 HydrophobicContact CD1-CD1 4.01Å; I434-F437 HydrophobicContact CD1-CE1 3.59Å; I434-F437 HydrophobicContact CD1-CE2 4.17Å; I434-F437 HydrophobicContact CD1-CG 4.46Å; I434-F437 HydrophobicContact CD1-CZ 3.69Å; I434-I463 HydrophobicContact CG2-CD1 4.01Å; I434-I463 HydrophobicContact CG2-CG1 3.79Å; I434-N466 WeakPolarHBondContact O-CB 3.49Å; I434-N466 PolarHBondContact O-ND2 3.16Å
435	T	98.1	Very high	97.6	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.012	29%	0.288	C	S	.	.			trans	-112.2	-10.5	177.9	55	0	0	0	0	112.8	I428 H430 N466 A467	I428-T435 WeakPolarHBondContact O-CG2 3.28Å; I428-T435 PolarHBondContact O-OG1 3.24Å; H430-T435 HydrophobicContact CB-CG2 3.63Å; T435-N466 HydrophobicContact CG2-CB 4.14Å; T435-A467 WeakPolarHBondContact O-CB 3.29Å
436	G	98.3	Very high	97.6	Very high	8 Å²	8	51.8 Å²	51.8	8%	0.082	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.6	-171.3	-179.1	0	0	0	0	0	111.1	I414 I434	I414-G436 CarbonylContact O-C 3.54Å; I414-G436 WeakPolarHBondContact O-CA 3.47Å; I434-G436 WeakPolarHBondContact CD1-O 3.4Å; I434-G436 WeakPolarHBondContact CG1-O 3.34Å
437	F	98.7	Very high	97.6	Very high	32 Å²	32	55.6 Å²	55.6	14%	0.14	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	154.9	-174	-63.3	-93.5	0	0	0	111.3	V413 I414 L415 A416 I434 H451 I452 L455 I463	V413-F437 HydrophobicContact CG1-CD2 3.83Å; V413-F437 HydrophobicContact CG1-CE2 3.83Å; I414-F437 PolarHBondContact O-N 3.38Å; L415-F437 WeakPolarHBondContact CA-O 3.31Å; L415-F437 HydrophobicContact CD1-CB 3.76Å; A416-F437 PolarHBondContact N-O 3.4Å; I434-F437 HydrophobicContact CD1-CD1 4.01Å; I434-F437 HydrophobicContact CD1-CE1 3.59Å; I434-F437 HydrophobicContact CD1-CE2 4.17Å; I434-F437 HydrophobicContact CD1-CG 4.46Å; I434-F437 HydrophobicContact CD1-CZ 3.69Å; F437-H451 AromaticContact CE1-CD2 3.57Å; F437-H451 AromaticContact CE1-NE2 3.79Å; F437-H451 AromaticContact CZ-CD2 3.89Å; F437-H451 AromaticContact CZ-NE2 3.96Å; F437-I452 HydrophobicContact CB-CD1 4.26Å; F437-I452 HydrophobicContact CD2-CD1 3.58Å; F437-I452 HydrophobicContact CD2-CG1 3.52Å; F437-I452 HydrophobicContact CE2-CD1 4.16Å; F437-I452 HydrophobicContact CE2-CG1 3.57Å; F437-I452 HydrophobicContact CG-CD1 4.05Å; F437-I452 HydrophobicContact CG-CG1 4.15Å; F437-I452 HydrophobicContact CZ-CG1 4.23Å; F437-L455 HydrophobicContact CZ-CD1 4.27Å; F437-I463 HydrophobicContact CE2-CD1 3.65Å; F437-I463 HydrophobicContact CZ-CD1 3.85Å
438	L	98.6	Very high	97.6	Very high	53 Å²	53	56.3 Å²	56.3	28%	0.277	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	135.7	179.5	-66.5	175.4	0	0	0	110.1	A416 N418 K423 V427	A416-L438 HydrophobicContact CB-CD2 4.03Å; A416-L438 CarbonylContact O-C 3.14Å; A416-L438 VanDerWaalsContact O-CA 3.24Å; A416-L438 WeakPolarHBondContact O-CA 3.44Å; N418-L438 HydrophobicContact CB-CB 3.85Å; K423-L438 HydrophobicContact CB-CD1 4.11Å; K423-L438 HydrophobicContact CG-CD1 4.03Å; V427-L438 HydrophobicContact CB-CD2 3.93Å; V427-L438 HydrophobicContact CB-CG 4.35Å; V427-L438 HydrophobicContact CG1-CD2 4.18Å; V427-L438 HydrophobicContact CG1-CG 4.22Å; V427-L438 HydrophobicContact CG2-CD2 4.25Å
439	A	98.4	Very high	97.6	Very high	6 Å²	6	53.9 Å²	53.9	5%	0.05	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	167.8	177.5	0	0	0	0	0	111.9	L415 A416 H417 N418 Y445	L415-A439 HydrophobicContact CD1-CB 3.89Å; A416-A439 PolarHBondContact O-N 2.92Å; H417-A439 CarbonylContact C-O 3.58Å; H417-A439 VanDerWaalsContact CA-O 3.26Å; H417-A439 WeakPolarHBondContact CA-O 3.5Å; N418-A439 PolarHBondContact N-O 3.49Å; A439-Y445 HydrophobicContact CB-CD1 3.95Å; A439-Y445 HydrophobicContact CB-CD2 3.66Å; A439-Y445 HydrophobicContact CB-CE1 4.08Å; A439-Y445 HydrophobicContact CB-CE2 3.77Å; A439-Y445 HydrophobicContact CB-CG 3.73Å
440	E	96.9	Very high	97.6	Very high	110 Å²	110	50 Å²	50	51%	0.514	28%	0.278	S	S	.	.			trans	-134.3	-50.3	-177.8	-62.8	-178.8	-162.9	0	0	112.1	N418	N418-E440 HydrophobicContact CB-CG 3.52Å; N418-E440 WeakPolarHBondContact CB-OE1 3.25Å; N418-E440 PolarHBondContact ND2-OE1 3.48Å
441	S	97.6	Very high	97.5	Very high	64 Å²	64	52 Å²	52	45%	0.448	29%	0.287	S	S	.	.	S	Bend	trans	-92.3	160.4	-177.3	63.9	0	0	0	0	112.1	E443 G444 Y445	S441-E443 PolarHBondContact O-N 2.57Å; S441-G444 PolarHBondContact O-N 3.12Å; S441-G444 VanDerWaalsContact O-N 3.11Å; S441-G444 PolarHBondContact OG-N 3.47Å; S441-Y445 VanDerWaalsContact O-CD2 3.31Å; S441-Y445 WeakPolarHBondContact O-CD2 3.42Å; S441-Y445 PolarHBondContact O-N 2.88Å
442	E	97.9	Very high	97.6	Very high	78 Å²	78	43.8 Å²	43.8	36%	0.364	25%	0.249	S	C	.	.	H	α-helix	trans	-51.5	-45.4	172.9	-172.9	177.1	132.8	0	0	112	L317 K320 A321 Y445 A446	L317-E442 HydrophobicContact CD1-CB 3.86Å; L317-E442 HydrophobicContact CD1-CG 4.45Å; K320-E442 HydrophobicContact CB-CG 4.05Å; K320-E442 WeakPolarHBondContact CB-OE2 3.33Å; K320-E442 WeakPolarHBondContact CD-OE2 3.16Å; A321-E442 HydrophobicContact CB-CG 4.26Å; E442-Y445 PolarHBondContact O-N 3.33Å; E442-A446 PolarHBondContact O-N 3.38Å
443	E	97.7	Very high	97.6	Very high	87 Å²	87	41 Å²	41	41%	0.407	22%	0.218	S	C	.	.	H	α-helix	trans	-58.7	-52.9	173.8	-165.4	70.6	-139.1	0	0	111.8	K324 S441 Y445 A446 D447	K324-E443 WeakPolarHBondContact CE-OE1 3.44Å; K324-E443 WeakPolarHBondContact CE-OE2 3.29Å; K324-E443 IonicContact NZ-OE1 2.7Å; K324-E443 PolarHBondContact NZ-OE1 2.81Å; K324-E443 IonicContact NZ-OE2 2.58Å; K324-E443 PolarHBondContact NZ-OE2 2.88Å; S441-E443 PolarHBondContact O-N 2.57Å; E443-Y445 VanDerWaalsContact C-N 3.25Å; E443-Y445 PolarHBondContact O-N 3.05Å; E443-A446 PolarHBondContact O-N 3.46Å; E443-D447 PolarHBondContact O-N 3.19Å
444	G	98	Very high	97.4	Very high	19 Å²	19	40 Å²	40	20%	0.196	22%	0.222	C	C	.	.	H	α-helix	trans	-62.6	-32.9	-177.1	0	0	0	0	0	112.8	S441 S448	S441-G444 PolarHBondContact O-N 3.12Å; S441-G444 VanDerWaalsContact O-N 3.11Å; S441-G444 PolarHBondContact OG-N 3.47Å; G444-S448 WeakPolarHBondContact O-CB 3.09Å; G444-S448 PolarHBondContact O-N 2.89Å; G444-S448 PolarHBondContact O-OG 2.96Å
445	Y	98.6	Very high	97.2	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.008	21%	0.21	C	C	.	.	H	α-helix	trans	-69.1	-45.7	171.7	-87.7	-82.3	0	0	0	111.8	L317 H393 T394 L415 H417 A439 S441 E442 E443 S448 M449	L317-Y445 HydrophobicContact CD2-CD2 4.02Å; L317-Y445 HydrophobicContact CD2-CE2 3.79Å; L317-Y445 HydrophobicContact CG-CD2 4.29Å; L317-Y445 HydrophobicContact CG-CE2 4.47Å; H393-Y445 PolarHBondContact O-OH 3.08Å; T394-Y445 WeakPolarHBondContact CA-OH 3.37Å; T394-Y445 HydrophobicContact CG2-CD1 4.44Å; T394-Y445 HydrophobicContact CG2-CE1 3.81Å; T394-Y445 HydrophobicContact CG2-CE2 4.03Å; L415-Y445 HydrophobicContact CD1-CD1 4.36Å; L415-Y445 HydrophobicContact CD1-CE1 4.38Å; L415-Y445 HydrophobicContact CD2-CD1 3.78Å; L415-Y445 HydrophobicContact CD2-CE1 4.38Å; L415-Y445 HydrophobicContact CG-CD1 3.82Å; L415-Y445 HydrophobicContact CG-CE1 3.91Å; H417-Y445 WeakPolarHBondContact CA-OH 3.36Å; H417-Y445 WeakPolarHBondContact CB-OH 3.25Å; H417-Y445 PolarHBondContact N-OH 2.88Å; A439-Y445 HydrophobicContact CB-CD1 3.95Å; A439-Y445 HydrophobicContact CB-CD2 3.66Å; A439-Y445 HydrophobicContact CB-CE1 4.08Å; A439-Y445 HydrophobicContact CB-CE2 3.77Å; A439-Y445 HydrophobicContact CB-CG 3.73Å; S441-Y445 VanDerWaalsContact O-CD2 3.31Å; S441-Y445 WeakPolarHBondContact O-CD2 3.42Å; S441-Y445 PolarHBondContact O-N 2.88Å; E442-Y445 PolarHBondContact O-N 3.33Å; E443-Y445 VanDerWaalsContact C-N 3.25Å; E443-Y445 PolarHBondContact O-N 3.05Å; Y445-S448 PolarHBondContact O-N 3.31Å; Y445-M449 WeakPolarHBondContact O-CB 3.31Å; Y445-M449 WeakPolarHBondContact O-CE 3.44Å; Y445-M449 VanDerWaalsContact O-CG 3.28Å; Y445-M449 WeakPolarHBondContact O-CG 3.25Å; Y445-M449 PolarHBondContact O-N 3.31Å
446	A	97.6	Very high	97	Very high	4 Å²	4	39.5 Å²	39.5	3%	0.033	22%	0.224	C	C	.	.	H	α-helix	trans	-60	-47.9	178.3	0	0	0	0	0	111.6	K324 E442 E443 M449 A450	K324-A446 HydrophobicContact CB-CB 4.24Å; K324-A446 HydrophobicContact CD-CB 3.92Å; K324-A446 HydrophobicContact CG-CB 4.17Å; E442-A446 PolarHBondContact O-N 3.38Å; E443-A446 PolarHBondContact O-N 3.46Å; A446-M449 PolarHBondContact O-N 3.43Å; A446-A450 PolarHBondContact O-N 2.82Å
447	D	97.2	Very high	96.7	Very high	80 Å²	80	40.1 Å²	40.1	43%	0.428	23%	0.228	S	C	.	.	H	α-helix	trans	-62.2	-44.9	177.3	-73.3	-21.9	0	0	0	112	E443 M449 A450 H451	E443-D447 PolarHBondContact O-N 3.19Å; D447-M449 VanDerWaalsContact C-N 3.35Å; D447-M449 PolarHBondContact O-N 3.04Å; D447-A450 PolarHBondContact O-N 3.21Å; D447-H451 WeakPolarHBondContact O-CB 3.28Å; D447-H451 PolarHBondContact O-N 2.92Å
448	S	98.1	Very high	96.5	Very high	24 Å²	24	43 Å²	43	17%	0.168	24%	0.242	C	C	.	.	H	α-helix	trans	-64.8	-39.4	178.3	-62.4	0	0	0	0	111.7	G444 Y445 H451 I452	G444-S448 WeakPolarHBondContact O-CB 3.09Å; G444-S448 PolarHBondContact O-N 2.89Å; G444-S448 PolarHBondContact O-OG 2.96Å; Y445-S448 PolarHBondContact O-N 3.31Å; S448-H451 PolarHBondContact O-N 3.41Å; S448-I452 WeakPolarHBondContact O-CD1 3.35Å; S448-I452 WeakPolarHBondContact O-CG1 3.34Å; S448-I452 PolarHBondContact O-N 3.38Å
449	M	97.6	Very high	96.4	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-62.3	-47.2	173.5	-73.4	-175.7	-68.4	0	0	111	L303 A321 L325 I390 L392 L415 Y445 A446 D447 H451 I452 L453	L303-M449 HydrophobicContact CD2-CG 4Å; L303-M449 HydrophobicContact CD2-SD 3.35Å; L303-M449 WeakPolarHBondContact CD2-SD 3.37Å; A321-M449 VanDerWaalsContact C-CE 3.48Å; A321-M449 HydrophobicContact CB-CE 3.8Å; A321-M449 WeakPolarHBondContact O-CE 3.38Å; L325-M449 HydrophobicContact CB-CE 4.25Å; L325-M449 HydrophobicContact CD1-CB 4.23Å; L325-M449 HydrophobicContact CD2-CB 3.86Å; L325-M449 HydrophobicContact CD2-CE 4.32Å; L325-M449 HydrophobicContact CD2-SD 4.22Å; I390-M449 HydrophobicContact CD1-CB 4.41Å; I390-M449 HydrophobicContact CD1-CG 4.34Å; L392-M449 HydrophobicContact CD1-SD 4.13Å; L392-M449 HydrophobicContact CD2-CG 4.23Å; L392-M449 HydrophobicContact CD2-SD 4.05Å; L415-M449 HydrophobicContact CD2-CG 3.63Å; Y445-M449 WeakPolarHBondContact O-CB 3.31Å; Y445-M449 WeakPolarHBondContact O-CE 3.44Å; Y445-M449 VanDerWaalsContact O-CG 3.28Å; Y445-M449 WeakPolarHBondContact O-CG 3.25Å; Y445-M449 PolarHBondContact O-N 3.31Å; A446-M449 PolarHBondContact O-N 3.43Å; D447-M449 VanDerWaalsContact C-N 3.35Å; D447-M449 PolarHBondContact O-N 3.04Å; M449-H451 VanDerWaalsContact C-N 3.33Å; M449-H451 PolarHBondContact O-N 3.32Å; M449-I452 PolarHBondContact O-N 2.8Å; M449-L453 WeakPolarHBondContact O-CB 3.47Å; M449-L453 WeakPolarHBondContact O-CG 3.39Å; M449-L453 PolarHBondContact O-N 2.96Å
450	A	96.1	Very high	96.3	Very high	15 Å²	15	46.6 Å²	46.6	12%	0.124	26%	0.255	C	S	.	.	H	α-helix	trans	-59.2	-44.7	177.3	0	0	0	0	0	111.5	L325 K329 A446 D447 L453 S454	L325-A450 HydrophobicContact CD1-CB 3.75Å; K329-A450 HydrophobicContact CB-CB 4.47Å; K329-A450 HydrophobicContact CG-CB 4.19Å; A446-A450 PolarHBondContact O-N 2.82Å; D447-A450 PolarHBondContact O-N 3.21Å; A450-L453 PolarHBondContact O-N 3.23Å; A450-S454 WeakPolarHBondContact O-CB 3.21Å; A450-S454 PolarHBondContact O-N 2.91Å
451	H	96.5	Very high	96.3	Very high	89 Å²	89	42 Å²	42	41%	0.412	23%	0.234	S	C	.	.	H	α-helix	trans	-59.7	-51.7	176.8	177.6	54.1	0	0	0	111.9	F437 D447 S448 M449 L453 S454 L455	F437-H451 AromaticContact CE1-CD2 3.57Å; F437-H451 AromaticContact CE1-NE2 3.79Å; F437-H451 AromaticContact CZ-CD2 3.89Å; F437-H451 AromaticContact CZ-NE2 3.96Å; D447-H451 WeakPolarHBondContact O-CB 3.28Å; D447-H451 PolarHBondContact O-N 2.92Å; S448-H451 PolarHBondContact O-N 3.41Å; M449-H451 VanDerWaalsContact C-N 3.33Å; M449-H451 PolarHBondContact O-N 3.32Å; H451-L453 VanDerWaalsContact C-N 3.25Å; H451-L453 PolarHBondContact O-N 2.63Å; H451-S454 WeakPolarHBondContact CA-OG 3.33Å; H451-S454 PolarHBondContact O-N 2.83Å; H451-S454 PolarHBondContact O-OG 2.78Å; H451-L455 PolarHBondContact O-N 3.39Å; H451-L455 VanDerWaalsContact O-N 3.15Å
452	I	96.6	Very high	96.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.5	-39.1	179.1	-66.4	161.2	0	0	0	111.7	I390 V413 L415 F437 S448 M449 S454 R460	I390-I452 HydrophobicContact CD1-CB 3.91Å; I390-I452 HydrophobicContact CD1-CD1 4.23Å; I390-I452 HydrophobicContact CD1-CG2 3.7Å; I390-I452 HydrophobicContact CG1-CG2 3.78Å; V413-I452 HydrophobicContact CB-CG2 3.89Å; V413-I452 HydrophobicContact CG1-CD1 4.03Å; V413-I452 HydrophobicContact CG1-CG1 4.05Å; V413-I452 HydrophobicContact CG1-CG2 3.71Å; V413-I452 HydrophobicContact CG2-CG2 4.28Å; L415-I452 HydrophobicContact CB-CD1 4.08Å; L415-I452 HydrophobicContact CD2-CD1 4.32Å; F437-I452 HydrophobicContact CB-CD1 4.26Å; F437-I452 HydrophobicContact CD2-CD1 3.58Å; F437-I452 HydrophobicContact CD2-CG1 3.52Å; F437-I452 HydrophobicContact CE2-CD1 4.16Å; F437-I452 HydrophobicContact CE2-CG1 3.57Å; F437-I452 HydrophobicContact CG-CD1 4.05Å; F437-I452 HydrophobicContact CG-CG1 4.15Å; F437-I452 HydrophobicContact CZ-CG1 4.23Å; S448-I452 WeakPolarHBondContact O-CD1 3.35Å; S448-I452 WeakPolarHBondContact O-CG1 3.34Å; S448-I452 PolarHBondContact O-N 3.38Å; M449-I452 PolarHBondContact O-N 2.8Å; I452-S454 VanDerWaalsContact C-N 3.35Å; I452-R460 WeakPolarHBondContact O-CD 3.44Å; I452-R460 PolarHBondContact O-NH1 2.79Å; I452-R460 VanDerWaalsContact O-NH1 3.07Å
453	L	94.7	Very high	96.3	Very high	10 Å²	10	40.2 Å²	40.2	5%	0.052	22%	0.219	C	C	.	.	H	α-helix	trans	-71.4	-30.7	178.1	-64.9	171.3	0	0	0	111.9	H301 L325 L333 L337 T389 I390 M449 A450 H451 R460	H301-L453 HydrophobicContact CB-CD2 3.59Å; H301-L453 VanDerWaalsContact CG-CD2 3.4Å; L325-L453 HydrophobicContact CD2-CD1 4.03Å; L333-L453 HydrophobicContact CD1-CB 4.23Å; L333-L453 HydrophobicContact CD1-CD1 3.75Å; L333-L453 HydrophobicContact CD2-CB 3.75Å; L337-L453 HydrophobicContact CD1-CD1 4.22Å; L337-L453 HydrophobicContact CD2-CD1 3.99Å; T389-L453 HydrophobicContact CG2-CD2 4.25Å; I390-L453 HydrophobicContact CD1-CD2 4.08Å; I390-L453 HydrophobicContact CD1-CG 4.05Å; M449-L453 WeakPolarHBondContact O-CB 3.47Å; M449-L453 WeakPolarHBondContact O-CG 3.39Å; M449-L453 PolarHBondContact O-N 2.96Å; A450-L453 PolarHBondContact O-N 3.23Å; H451-L453 VanDerWaalsContact C-N 3.25Å; H451-L453 PolarHBondContact O-N 2.63Å; L453-R460 PolarHBondContact O-NH1 3Å
454	S	93.4	Very high	96.3	Very high	82 Å²	82	37.5 Å²	37.5	57%	0.573	21%	0.205	S	C	*	.	H	α-helix	trans	-74.7	-21	176.3	74.7	0	0	0	0	114.8	A450 H451 I452	A450-S454 WeakPolarHBondContact O-CB 3.21Å; A450-S454 PolarHBondContact O-N 2.91Å; H451-S454 WeakPolarHBondContact CA-OG 3.33Å; H451-S454 PolarHBondContact O-N 2.83Å; H451-S454 PolarHBondContact O-OG 2.78Å; I452-S454 VanDerWaalsContact C-N 3.35Å
455	L	94.4	Very high	96.2	Very high	22 Å²	22	41.4 Å²	41.4	12%	0.115	22%	0.216	C	C	.	.	S	Bend	trans	-59.3	154.9	176.3	-67.1	175.7	0	0	0	111.7	F437 H451 E459 R460 I463	F437-L455 HydrophobicContact CZ-CD1 4.27Å; H451-L455 PolarHBondContact O-N 3.39Å; H451-L455 VanDerWaalsContact O-N 3.15Å; L455-E459 HydrophobicContact CB-CB 4.14Å; L455-E459 HydrophobicContact CD2-CB 4.38Å; L455-R460 HydrophobicContact CB-CG 3.95Å; L455-R460 HydrophobicContact CD1-CG 4.31Å; L455-R460 PolarHBondContact O-NH1 3.48Å; L455-R460 PolarHBondContact O-NH2 3.23Å; L455-I463 HydrophobicContact CD1-CD1 3.83Å
456	S	93.4	Very high	96.2	Very high	43 Å²	43	42 Å²	42	30%	0.301	22%	0.22	S	C	.	.			trans	-66.4	163.3	169.9	73.1	0	0	0	0	111.6	E458 E459 R460	S456-E458 WeakPolarHBondContact CB-OE2 3.14Å; S456-E458 PolarHBondContact O-N 3.41Å; S456-E458 PolarHBondContact OG-OE2 3.39Å; S456-E459 WeakPolarHBondContact CB-OE2 3.48Å; S456-E459 PolarHBondContact N-OE2 2.96Å; S456-E459 PolarHBondContact O-N 2.85Å; S456-E459 WeakPolarHBondContact OG-CB 3.38Å; S456-E459 WeakPolarHBondContact OG-CG 3.39Å; S456-E459 PolarHBondContact OG-N 3.48Å; S456-E459 PolarHBondContact OG-OE2 2.89Å; S456-E459 VanDerWaalsContact OG-OE2 3.08Å; S456-R460 PolarHBondContact O-N 3.19Å; S456-R460 VanDerWaalsContact O-N 3.12Å
457	A	92.7	Very high	96.2	Very high	21 Å²	21	41.9 Å²	41.9	17%	0.174	22%	0.218	C	C	.	.	H	α-helix	trans	-62.9	-36.8	175.9	0	0	0	0	0	111.1	L461	A457-L461 VanDerWaalsContact O-CB 3.3Å; A457-L461 WeakPolarHBondContact O-CB 3.45Å; A457-L461 PolarHBondContact O-N 3.47Å
458	E	95.1	Very high	96.1	Very high	93 Å²	93	39.7 Å²	39.7	44%	0.435	20%	0.204	S	C	.	.	H	α-helix	trans	-66.5	-46.4	179.3	-62.6	70.3	-159.3	0	0	110.9	S456 L461 Q462	S456-E458 WeakPolarHBondContact CB-OE2 3.14Å; S456-E458 PolarHBondContact O-N 3.41Å; S456-E458 PolarHBondContact OG-OE2 3.39Å; E458-L461 WeakPolarHBondContact O-CB 3.41Å; E458-L461 PolarHBondContact O-N 3.05Å; E458-Q462 PolarHBondContact O-N 3.43Å
459	E	96.4	Very high	95.9	Very high	99 Å²	99	41 Å²	41	46%	0.463	22%	0.216	S	C	.	.	H	α-helix	trans	-61.3	-49.7	176	-75.8	170.1	135.4	0	0	110.9	L455 S456 L461 Q462 I463	L455-E459 HydrophobicContact CB-CB 4.14Å; L455-E459 HydrophobicContact CD2-CB 4.38Å; S456-E459 WeakPolarHBondContact CB-OE2 3.48Å; S456-E459 PolarHBondContact N-OE2 2.96Å; S456-E459 PolarHBondContact O-N 2.85Å; S456-E459 WeakPolarHBondContact OG-CB 3.38Å; S456-E459 WeakPolarHBondContact OG-CG 3.39Å; S456-E459 PolarHBondContact OG-N 3.48Å; S456-E459 PolarHBondContact OG-OE2 2.89Å; S456-E459 VanDerWaalsContact OG-OE2 3.08Å; E459-L461 VanDerWaalsContact C-N 3.29Å; E459-L461 PolarHBondContact O-N 3.28Å; E459-Q462 WeakPolarHBondContact O-CB 3.33Å; E459-Q462 PolarHBondContact O-N 2.84Å; E459-Q462 VanDerWaalsContact O-N 3.11Å; E459-I463 WeakPolarHBondContact O-CG1 3.27Å; E459-I463 PolarHBondContact O-N 3.45Å; E459-I463 VanDerWaalsContact O-N 3.09Å
460	R	96.3	Very high	95.8	Very high	35 Å²	35	41 Å²	41	13%	0.132	22%	0.216	C	C	.	.	H	α-helix	trans	-59	-41.6	175.6	-74.1	-171.7	-71.3	-94	-9.7	111.9	V413 I452 L453 L455 S456 Q462 I463 R464	V413-R460 HydrophobicContact CG2-CB 4.11Å; V413-R460 HydrophobicContact CG2-CG 4.13Å; I452-R460 WeakPolarHBondContact O-CD 3.44Å; I452-R460 PolarHBondContact O-NH1 2.79Å; I452-R460 VanDerWaalsContact O-NH1 3.07Å; L453-R460 PolarHBondContact O-NH1 3Å; L455-R460 HydrophobicContact CB-CG 3.95Å; L455-R460 HydrophobicContact CD1-CG 4.31Å; L455-R460 PolarHBondContact O-NH1 3.48Å; L455-R460 PolarHBondContact O-NH2 3.23Å; S456-R460 PolarHBondContact O-N 3.19Å; S456-R460 VanDerWaalsContact O-N 3.12Å; R460-Q462 VanDerWaalsContact C-N 3.28Å; R460-Q462 PolarHBondContact O-N 3.43Å; R460-I463 PolarHBondContact O-N 3.28Å; R460-R464 VanDerWaalsContact O-CD 3.26Å; R460-R464 WeakPolarHBondContact O-CD 3.46Å; R460-R464 WeakPolarHBondContact O-CG 3.32Å; R460-R464 PolarHBondContact O-N 3.21Å
461	L	96.2	Very high	95.8	Very high	15 Å²	15	40.3 Å²	40.3	8%	0.079	21%	0.21	C	C	.	.	H	α-helix	trans	-59.8	-40.8	176.9	179.4	62.3	0	0	0	111.3	L292 E294 A457 E458 E459 R464 K465	L292-L461 HydrophobicContact CB-CD1 3.84Å; L292-L461 HydrophobicContact CD1-CD1 4.25Å; E294-L461 HydrophobicContact CB-CD2 3.93Å; E294-L461 HydrophobicContact CG-CD2 4.03Å; A457-L461 VanDerWaalsContact O-CB 3.3Å; A457-L461 WeakPolarHBondContact O-CB 3.45Å; A457-L461 PolarHBondContact O-N 3.47Å; E458-L461 WeakPolarHBondContact O-CB 3.41Å; E458-L461 PolarHBondContact O-N 3.05Å; E459-L461 VanDerWaalsContact C-N 3.29Å; E459-L461 PolarHBondContact O-N 3.28Å; L461-R464 PolarHBondContact O-N 2.9Å; L461-K465 HydrophobicContact CG-CD 4.4Å; L461-K465 WeakPolarHBondContact O-CG 3.26Å; L461-K465 PolarHBondContact O-N 2.95Å
462	Q	97.3	Very high	95.6	Very high	91 Å²	91	39.8 Å²	39.8	43%	0.425	22%	0.217	S	C	.	.	H	α-helix	trans	-63.8	-45.6	177.2	-169.4	57.8	39.5	0	0	111.8	E458 E459 R460 R464 K465 N466	E458-Q462 PolarHBondContact O-N 3.43Å; E459-Q462 WeakPolarHBondContact O-CB 3.33Å; E459-Q462 PolarHBondContact O-N 2.84Å; E459-Q462 VanDerWaalsContact O-N 3.11Å; R460-Q462 VanDerWaalsContact C-N 3.28Å; R460-Q462 PolarHBondContact O-N 3.43Å; Q462-R464 VanDerWaalsContact C-N 3.3Å; Q462-R464 PolarHBondContact O-N 3.36Å; Q462-K465 PolarHBondContact O-N 2.84Å; Q462-N466 PolarHBondContact NE2-OD1 2.85Å; Q462-N466 PolarHBondContact O-N 3.15Å; Q462-N466 PolarHBondContact O-ND2 2.77Å; Q462-N466 PolarHBondContact O-OD1 3.06Å
463	I	98.1	Very high	95.4	Very high	12 Å²	12	42.6 Å²	42.6	6%	0.062	23%	0.228	C	C	.	.	H	α-helix	trans	-58	-44.4	176	-56.8	-176	0	0	0	110.7	V413 I434 F437 L455 E459 R460 K465 N466 A467	V413-I463 HydrophobicContact CG1-CG2 4.25Å; I434-I463 HydrophobicContact CG2-CD1 4.01Å; I434-I463 HydrophobicContact CG2-CG1 3.79Å; F437-I463 HydrophobicContact CE2-CD1 3.65Å; F437-I463 HydrophobicContact CZ-CD1 3.85Å; L455-I463 HydrophobicContact CD1-CD1 3.83Å; E459-I463 WeakPolarHBondContact O-CG1 3.27Å; E459-I463 PolarHBondContact O-N 3.45Å; E459-I463 VanDerWaalsContact O-N 3.09Å; R460-I463 PolarHBondContact O-N 3.28Å; I463-K465 PolarHBondContact O-N 2.84Å; I463-N466 PolarHBondContact O-N 2.9Å; I463-A467 WeakPolarHBondContact O-CB 3.46Å; I463-A467 PolarHBondContact O-N 2.98Å
464	R	97.4	Very high	95.5	Very high	31 Å²	31	42.1 Å²	42.1	12%	0.117	23%	0.225	C	C	.	.	H	α-helix	trans	-62.8	-40.6	178.5	-66.3	158.8	67.9	-164.4	11.2	112.3	L292 H293 G411 V413 R460 L461 Q462 A467 R468	L292-R464 HydrophobicContact CD2-CB 4.2Å; H293-R464 PolarHBondContact O-NH1 3.34Å; G411-R464 WeakPolarHBondContact O-CD 3.38Å; G411-R464 VanDerWaalsContact O-CZ 3.32Å; G411-R464 PolarHBondContact O-NE 3.43Å; G411-R464 PolarHBondContact O-NH2 2.93Å; V413-R464 HydrophobicContact CG2-CG 3.99Å; R460-R464 VanDerWaalsContact O-CD 3.26Å; R460-R464 WeakPolarHBondContact O-CD 3.46Å; R460-R464 WeakPolarHBondContact O-CG 3.32Å; R460-R464 PolarHBondContact O-N 3.21Å; L461-R464 PolarHBondContact O-N 2.9Å; Q462-R464 VanDerWaalsContact C-N 3.3Å; Q462-R464 PolarHBondContact O-N 3.36Å; R464-A467 PolarHBondContact O-N 3.15Å; R464-R468 PolarHBondContact O-N 2.9Å
465	K	97	Very high	95.5	Very high	100 Å²	100	39 Å²	39	44%	0.435	20%	0.204	S	C	.	.	H	α-helix	trans	-63	-47.5	175.3	-75.4	174.6	178.7	174.3	0	111.2	L292 L461 Q462 I463 A467 R468 A469	L292-K465 HydrophobicContact CD1-CG 3.74Å; L461-K465 HydrophobicContact CG-CD 4.4Å; L461-K465 WeakPolarHBondContact O-CG 3.26Å; L461-K465 PolarHBondContact O-N 2.95Å; Q462-K465 PolarHBondContact O-N 2.84Å; I463-K465 PolarHBondContact O-N 2.84Å; K465-A467 VanDerWaalsContact C-N 3.31Å; K465-A467 PolarHBondContact O-N 3.3Å; K465-R468 PolarHBondContact O-N 3.37Å; K465-A469 WeakPolarHBondContact O-CB 3.42Å; K465-A469 PolarHBondContact O-N 3.33Å
466	N	97.8	Very high	95.4	Very high	16 Å²	16	39 Å²	39	9%	0.086	20%	0.204	C	C	.	.	H	α-helix	trans	-60.2	-43.3	177.2	-57.8	-21.6	0	0	0	111	Q433 I434 T435 Q462 I463 A469 S470	Q433-N466 VanDerWaalsContact CB-ND2 3.32Å; Q433-N466 WeakPolarHBondContact CB-ND2 3.46Å; I434-N466 WeakPolarHBondContact O-CB 3.49Å; I434-N466 PolarHBondContact O-ND2 3.16Å; T435-N466 HydrophobicContact CG2-CB 4.14Å; Q462-N466 PolarHBondContact NE2-OD1 2.85Å; Q462-N466 PolarHBondContact O-N 3.15Å; Q462-N466 PolarHBondContact O-ND2 2.77Å; Q462-N466 PolarHBondContact O-OD1 3.06Å; I463-N466 PolarHBondContact O-N 2.9Å; N466-A469 PolarHBondContact O-N 2.85Å; N466-S470 WeakPolarHBondContact O-CB 3.36Å; N466-S470 PolarHBondContact O-N 3.48Å
467	A	97.4	Very high	95.4	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-57.4	-51.2	176.7	0	0	0	0	0	111.5	M408 T435 I463 R464 K465 A469 S470 I471	M408-A467 HydrophobicContact CB-CB 4.18Å; M408-A467 HydrophobicContact CE-CB 3.63Å; M408-A467 HydrophobicContact CG-CB 4.24Å; T435-A467 WeakPolarHBondContact O-CB 3.29Å; I463-A467 WeakPolarHBondContact O-CB 3.46Å; I463-A467 PolarHBondContact O-N 2.98Å; R464-A467 PolarHBondContact O-N 3.15Å; K465-A467 VanDerWaalsContact C-N 3.31Å; K465-A467 PolarHBondContact O-N 3.3Å; A467-A469 PolarHBondContact O-N 3.14Å; A467-S470 PolarHBondContact O-N 2.75Å; A467-S470 VanDerWaalsContact O-N 3.14Å; A467-S470 PolarHBondContact O-OG 2.88Å; A467-I471 PolarHBondContact O-N 2.9Å
468	R	95.7	Very high	95.6	Very high	35 Å²	35	46.3 Å²	46.3	13%	0.132	23%	0.229	C	C	.	.	H	α-helix	trans	-62.1	-39.1	177.8	-75.4	-167.5	177.9	-175.1	4.2	113.4	L288 I290 M408 A409 A410 R464 K465 S470 I471	L288-R468 HydrophobicContact CD2-CB 3.88Å; L288-R468 HydrophobicContact CD2-CG 3.82Å; L288-R468 PolarHBondContact O-NH1 3.49Å; I290-R468 PolarHBondContact O-NH1 2.94Å; I290-R468 PolarHBondContact O-NH2 3.21Å; M408-R468 WeakPolarHBondContact O-CG 3.44Å; A409-R468 VanDerWaalsContact O-CZ 3.29Å; A409-R468 PolarHBondContact O-NE 2.74Å; A409-R468 PolarHBondContact O-NH2 2.75Å; A410-R468 VanDerWaalsContact C-NH2 3.31Å; A410-R468 PolarHBondContact O-NH2 3.18Å; R464-R468 PolarHBondContact O-N 2.9Å; K465-R468 PolarHBondContact O-N 3.37Å; R468-S470 PolarHBondContact O-N 3.24Å; R468-I471 WeakPolarHBondContact O-CG1 3.49Å
469	A	94.9	Very high	95.7	Very high	50 Å²	50	42.1 Å²	42.1	41%	0.413	21%	0.21	S	C	.	.	H	α-helix	trans	-65	-31.8	176.5	0	0	0	0	0	112	H430 K465 N466 A467	H430-A469 WeakPolarHBondContact NE2-CB 3.47Å; K465-A469 WeakPolarHBondContact O-CB 3.42Å; K465-A469 PolarHBondContact O-N 3.33Å; N466-A469 PolarHBondContact O-N 2.85Å; A467-A469 PolarHBondContact O-N 3.14Å
470	S	95.6	Very high	95.7	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.014	20%	0.196	C	C	.	.	H	α-helix	trans	-74.1	-32	-177.8	82	0	0	0	0	114.3	M408 N466 A467 R468 S472 R473	M408-S470 WeakPolarHBondContact CE-OG 3.47Å; N466-S470 WeakPolarHBondContact O-CB 3.36Å; N466-S470 PolarHBondContact O-N 3.48Å; A467-S470 PolarHBondContact O-N 2.75Å; A467-S470 VanDerWaalsContact O-N 3.14Å; A467-S470 PolarHBondContact O-OG 2.88Å; R468-S470 PolarHBondContact O-N 3.24Å; S470-S472 VanDerWaalsContact C-N 3.34Å; S470-S472 PolarHBondContact O-N 2.89Å; S470-R473 PolarHBondContact O-NH1 2.64Å
471	I	94.7	Very high	95.8	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-80.5	-3	-165.1	55.4	162.3	0	0	0	115.8	V284 L288 V405 M408 A409 A467 R468 R473 F474	V284-I471 HydrophobicContact CB-CD1 4.09Å; V284-I471 HydrophobicContact CG1-CD1 4Å; L288-I471 HydrophobicContact CD2-CD1 4.04Å; L288-I471 HydrophobicContact CG-CD1 4.37Å; V405-I471 HydrophobicContact CG1-CB 4.2Å; V405-I471 HydrophobicContact CG1-CG2 4.1Å; M408-I471 HydrophobicContact CB-CG2 3.97Å; M408-I471 HydrophobicContact CE-CG2 4.01Å; M408-I471 HydrophobicContact SD-CG2 4.22Å; A409-I471 HydrophobicContact CB-CD1 3.31Å; A467-I471 PolarHBondContact O-N 2.9Å; R468-I471 WeakPolarHBondContact O-CG1 3.49Å; I471-R473 PolarHBondContact O-N 3Å; I471-R473 VanDerWaalsContact O-N 3.07Å; I471-F474 HydrophobicContact CB-CD2 4.04Å; I471-F474 HydrophobicContact CG2-CD2 4.15Å; I471-F474 HydrophobicContact CG2-CE2 4.39Å; I471-F474 WeakPolarHBondContact O-CB 3.39Å; I471-F474 PolarHBondContact O-N 3.18Å
472	S	91.8	Very high	95.8	Very high	79 Å²	79	42.5 Å²	42.5	55%	0.552	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-53.5	-32.8	-177.3	56.8	0	0	0	0	113.6	S470 F474 S475	S470-S472 VanDerWaalsContact C-N 3.34Å; S470-S472 PolarHBondContact O-N 2.89Å; S472-F474 PolarHBondContact O-N 2.9Å; S472-F474 VanDerWaalsContact O-N 3.12Å; S472-S475 VanDerWaalsContact O-CB 3.29Å; S472-S475 WeakPolarHBondContact O-CB 3.44Å; S472-S475 PolarHBondContact O-N 2.96Å; S472-S475 VanDerWaalsContact O-N 3.14Å; S472-S475 PolarHBondContact O-OG 3.46Å
473	R	94.2	Very high	95.9	Very high	58 Å²	58	38.2 Å²	38.2	22%	0.219	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-63.6	-9.2	175.6	67.3	-179.2	179.9	-89.7	-3.7	115.5	D425 I426 S470 I471 E478	D425-R473 PolarHBondContact O-NH2 3.3Å; I426-R473 PolarHBondContact O-NH2 3.42Å; S470-R473 PolarHBondContact O-NH1 2.64Å; I471-R473 PolarHBondContact O-N 3Å; I471-R473 VanDerWaalsContact O-N 3.07Å; R473-E478 WeakPolarHBondContact O-CG 3.49Å
474	F	95.5	Very high	95.9	Very high	1 Å²	1	38.4 Å²	38.4	0%	0.004	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-106.8	4.9	178.4	-52	-50.6	0	0	0	113.1	Y279 C282 F400 V405 D425 I426 I471 S472	Y279-F474 HydrophobicContact CD1-CD1 4.19Å; Y279-F474 AromaticContact CD1-CE1 3.76Å; Y279-F474 HydrophobicContact CD1-CE1 3.76Å; Y279-F474 AromaticContact CD2-CD1 3.9Å; Y279-F474 HydrophobicContact CD2-CD1 3.9Å; Y279-F474 AromaticContact CD2-CE1 3.78Å; Y279-F474 HydrophobicContact CD2-CE1 3.78Å; Y279-F474 HydrophobicContact CE1-CE1 4.03Å; Y279-F474 HydrophobicContact CE2-CE1 4.06Å; Y279-F474 AromaticContact CG-CD1 3.68Å; Y279-F474 HydrophobicContact CG-CD1 3.68Å; Y279-F474 AromaticContact CG-CE1 3.63Å; Y279-F474 HydrophobicContact CG-CE1 3.63Å; C282-F474 HydrophobicContact CB-CB 4.38Å; C282-F474 WeakPolarHBondContact CB-O 3.44Å; C282-F474 PolarHBondContact N-O 3.34Å; F400-F474 AromaticContact CE2-CD1 3.85Å; F400-F474 HydrophobicContact CE2-CD1 3.85Å; F400-F474 AromaticContact CE2-CE1 3.57Å; F400-F474 HydrophobicContact CE2-CE1 3.57Å; F400-F474 HydrophobicContact CE2-CZ 4.18Å; F400-F474 HydrophobicContact CZ-CB 4.48Å; F400-F474 AromaticContact CZ-CD1 3.49Å; F400-F474 HydrophobicContact CZ-CD1 3.49Å; F400-F474 VanDerWaalsContact CZ-CD1 3.49Å; F400-F474 HydrophobicContact CZ-CD2 4.49Å; F400-F474 AromaticContact CZ-CE1 3.64Å; F400-F474 HydrophobicContact CZ-CE1 3.64Å; F400-F474 AromaticContact CZ-CG 3.92Å; F400-F474 HydrophobicContact CZ-CG 3.92Å; F400-F474 HydrophobicContact CZ-CZ 4.19Å; V405-F474 HydrophobicContact CB-CD2 4.48Å; V405-F474 HydrophobicContact CG1-CB 4.03Å; V405-F474 HydrophobicContact CG1-CD2 3.8Å; V405-F474 HydrophobicContact CG1-CG 4.29Å; V405-F474 HydrophobicContact CG2-CD2 3.78Å; V405-F474 HydrophobicContact CG2-CE2 4.11Å; V405-F474 HydrophobicContact CG2-CG 4.25Å; D425-F474 WeakPolarHBondContact O-CZ 3.35Å; I426-F474 HydrophobicContact CG1-CE2 4.21Å; I426-F474 HydrophobicContact CG1-CZ 3.98Å; I426-F474 HydrophobicContact CG2-CE2 4.49Å; I471-F474 HydrophobicContact CB-CD2 4.04Å; I471-F474 HydrophobicContact CG2-CD2 4.15Å; I471-F474 HydrophobicContact CG2-CE2 4.39Å; I471-F474 WeakPolarHBondContact O-CB 3.39Å; I471-F474 PolarHBondContact O-N 3.18Å; S472-F474 PolarHBondContact O-N 2.9Å; S472-F474 VanDerWaalsContact O-N 3.12Å
475	S	93.6	Very high	95.9	Very high	17 Å²	17	41 Å²	41	12%	0.119	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-64	156.8	179.8	63.2	0	0	0	0	112.6	S472 Q477 E478 F479	S472-S475 VanDerWaalsContact O-CB 3.29Å; S472-S475 WeakPolarHBondContact O-CB 3.44Å; S472-S475 PolarHBondContact O-N 2.96Å; S472-S475 VanDerWaalsContact O-N 3.14Å; S472-S475 PolarHBondContact O-OG 3.46Å; S475-Q477 PolarHBondContact O-N 3.15Å; S475-E478 PolarHBondContact O-N 2.96Å; S475-E478 WeakPolarHBondContact OG-CB 3.37Å; S475-E478 PolarHBondContact OG-N 3.14Å; S475-F479 PolarHBondContact O-N 3.27Å
476	D	92.7	Very high	95.8	Very high	22 Å²	22	36.3 Å²	36.3	12%	0.118	21%	0.206	C	C	.	.	H	α-helix	trans	-53.9	-36.9	171.4	-89.4	19.3	0	0	0	112.2	R80 R87 P281 E480	R80-D476 IonicContact CZ-OD1 3.92Å; R80-D476 VanDerWaalsContact CZ-OD1 3.23Å; R80-D476 IonicContact CZ-OD2 2.78Å; R80-D476 IonicContact NH1-OD1 3.79Å; R80-D476 PolarHBondContact NH1-OD1 2.77Å; R80-D476 IonicContact NH1-OD2 3.39Å; R80-D476 VanDerWaalsContact NH2-CG 3.33Å; R80-D476 IonicContact NH2-OD1 3.05Å; R80-D476 PolarHBondContact NH2-OD1 3.23Å; R80-D476 IonicContact NH2-OD2 3.98Å; R80-D476 PolarHBondContact NH2-OD2 3.36Å; R87-D476 IonicContact CZ-OD2 3.88Å; R87-D476 IonicContact NH2-OD2 2.84Å; R87-D476 PolarHBondContact NH2-OD2 2.89Å; P281-D476 WeakPolarHBondContact CB-OD1 3.04Å; D476-E480 WeakPolarHBondContact O-CB 3.43Å; D476-E480 PolarHBondContact O-N 2.96Å
477	Q	93.8	Very high	95.8	Very high	127 Å²	127	35.6 Å²	35.6	59%	0.593	20%	0.202	S	C	*	.	H	α-helix	trans	-67.6	-46.1	179.7	-66.3	79.9	-1.5	0	0	111.5	S475 F479 E480 V481	S475-Q477 PolarHBondContact O-N 3.15Å; Q477-F479 VanDerWaalsContact C-N 3.35Å; Q477-E480 WeakPolarHBondContact O-CB 3.04Å; Q477-E480 PolarHBondContact O-N 3.46Å; Q477-V481 WeakPolarHBondContact O-CG2 3.46Å; Q477-V481 PolarHBondContact O-N 3.04Å
478	E	95.8	Very high	95.7	Very high	90 Å²	90	39.6 Å²	39.6	42%	0.421	22%	0.221	S	C	.	.	H	α-helix	trans	-65.9	-40.8	178.5	-171	58.8	-150.5	0	0	111.2	R473 S475 E480 V481 A482	R473-E478 WeakPolarHBondContact O-CG 3.49Å; S475-E478 PolarHBondContact O-N 2.96Å; S475-E478 WeakPolarHBondContact OG-CB 3.37Å; S475-E478 PolarHBondContact OG-N 3.14Å; E478-E480 PolarHBondContact O-N 2.98Å; E478-V481 PolarHBondContact O-N 2.88Å; E478-A482 WeakPolarHBondContact O-CB 3.22Å; E478-A482 PolarHBondContact O-N 3.23Å
479	F	97.3	Very high	95.4	Very high	5 Å²	5	43.5 Å²	43.5	2%	0.022	24%	0.238	C	C	.	.	H	α-helix	trans	-57.9	-46.9	171.7	170.6	-97.4	0	0	0	111.9	V81 C84 A85 Y196 V278 Y279 P281 S475 Q477 V481 A482 F483	V81-F479 HydrophobicContact CG1-CE2 3.99Å; V81-F479 HydrophobicContact CG1-CZ 3.91Å; C84-F479 HydrophobicContact CB-CD1 3.89Å; C84-F479 HydrophobicContact CB-CE1 3.54Å; C84-F479 HydrophobicContact CB-CZ 4.45Å; A85-F479 HydrophobicContact CB-CE1 4.38Å; A85-F479 HydrophobicContact CB-CZ 4.15Å; Y196-F479 AromaticContact CE2-CE2 3.92Å; Y196-F479 HydrophobicContact CE2-CE2 3.92Å; V278-F479 HydrophobicContact CG1-CD2 3.65Å; V278-F479 HydrophobicContact CG1-CE2 3.78Å; Y279-F479 WeakPolarHBondContact O-CD2 3.49Å; P281-F479 HydrophobicContact CB-CB 3.63Å; P281-F479 HydrophobicContact CB-CD1 3.69Å; P281-F479 HydrophobicContact CB-CD2 4.23Å; P281-F479 HydrophobicContact CB-CE1 4.43Å; P281-F479 HydrophobicContact CB-CG 3.56Å; P281-F479 HydrophobicContact CG-CB 4.39Å; P281-F479 HydrophobicContact CG-CD1 3.75Å; P281-F479 HydrophobicContact CG-CD2 4.09Å; P281-F479 HydrophobicContact CG-CE1 3.99Å; P281-F479 HydrophobicContact CG-CE2 4.28Å; P281-F479 HydrophobicContact CG-CG 3.79Å; P281-F479 HydrophobicContact CG-CZ 4.23Å; S475-F479 PolarHBondContact O-N 3.27Å; Q477-F479 VanDerWaalsContact C-N 3.35Å; F479-V481 VanDerWaalsContact C-N 3.34Å; F479-V481 PolarHBondContact O-N 3.46Å; F479-A482 PolarHBondContact O-N 3.49Å; F479-F483 HydrophobicContact CE1-CB 4.28Å; F479-F483 HydrophobicContact CE1-CG 4.39Å; F479-F483 HydrophobicContact CE2-CB 4.29Å; F479-F483 HydrophobicContact CE2-CD2 4.24Å; F479-F483 HydrophobicContact CZ-CB 4.15Å; F479-F483 AromaticContact CZ-CD2 3.95Å; F479-F483 HydrophobicContact CZ-CD2 3.95Å; F479-F483 HydrophobicContact CZ-CG 4.07Å; F479-F483 WeakPolarHBondContact O-CB 3.4Å; F479-F483 PolarHBondContact O-N 3.46Å
480	E	97	Very high	95.4	Very high	39 Å²	39	41.2 Å²	41.2	18%	0.182	22%	0.219	C	C	.	.	H	α-helix	trans	-56.2	-48.2	178.4	175.9	174.2	151.9	0	0	111	A88 K91 D476 Q477 E478 L484	A88-E480 HydrophobicContact CB-CB 4.31Å; A88-E480 HydrophobicContact CB-CG 3.76Å; K91-E480 WeakPolarHBondContact CD-OE1 3.48Å; K91-E480 IonicContact NZ-OE1 2.75Å; K91-E480 PolarHBondContact NZ-OE1 3.33Å; K91-E480 IonicContact NZ-OE2 3.78Å; D476-E480 WeakPolarHBondContact O-CB 3.43Å; D476-E480 PolarHBondContact O-N 2.96Å; Q477-E480 WeakPolarHBondContact O-CB 3.04Å; Q477-E480 PolarHBondContact O-N 3.46Å; E478-E480 PolarHBondContact O-N 2.98Å; E480-L484 HydrophobicContact CG-CD1 3.8Å; E480-L484 HydrophobicContact CG-CG 4.49Å; E480-L484 VanDerWaalsContact O-CB 3.3Å; E480-L484 WeakPolarHBondContact O-CB 3.45Å; E480-L484 WeakPolarHBondContact O-CG 3.42Å; E480-L484 PolarHBondContact O-N 2.63Å
481	V	97.7	Very high	95.2	Very high	93 Å²	93	42.2 Å²	42.2	56%	0.564	22%	0.224	S	C	*	.	H	α-helix	trans	-62.6	-52.9	179.6	173.8	0	0	0	0	111.4	Q477 E478 F479 F483 L484 C485	Q477-V481 WeakPolarHBondContact O-CG2 3.46Å; Q477-V481 PolarHBondContact O-N 3.04Å; E478-V481 PolarHBondContact O-N 2.88Å; F479-V481 VanDerWaalsContact C-N 3.34Å; F479-V481 PolarHBondContact O-N 3.46Å; V481-F483 PolarHBondContact O-N 3.31Å; V481-L484 PolarHBondContact O-N 2.86Å; V481-C485 WeakPolarHBondContact O-CB 2.9Å; V481-C485 PolarHBondContact O-N 2.96Å
482	A	97.7	Very high	94.3	Very high	24 Å²	24	48.4 Å²	48.4	20%	0.198	26%	0.262	C	S	.	.	H	α-helix	trans	-65.2	-39.6	-177.1	0	0	0	0	0	112.6	V278 E478 F479 S486	V278-A482 HydrophobicContact CG1-CB 4.14Å; V278-A482 HydrophobicContact CG2-CB 4.27Å; E478-A482 WeakPolarHBondContact O-CB 3.22Å; E478-A482 PolarHBondContact O-N 3.23Å; F479-A482 PolarHBondContact O-N 3.49Å; A482-S486 PolarHBondContact O-N 3.47Å; A482-S486 VanDerWaalsContact O-N 3.13Å; A482-S486 PolarHBondContact O-OG 3.3Å
483	F	98.2	Very high	94.4	Very high	1 Å²	1	46.9 Å²	46.9	0%	0.004	25%	0.248	C	C	.	.	H	α-helix	trans	-64.3	-48.9	176.3	-175.9	-97.1	0	0	0	111.1	F67 A85 L89 M255 V278 F479 V481 C485 S486 M487	F67-F483 HydrophobicContact CE1-CZ 4.28Å; F67-F483 HydrophobicContact CZ-CZ 4.02Å; A85-F483 HydrophobicContact CB-CD1 4.17Å; A85-F483 HydrophobicContact CB-CD2 4.33Å; A85-F483 HydrophobicContact CB-CE1 3.62Å; A85-F483 HydrophobicContact CB-CE2 3.82Å; A85-F483 HydrophobicContact CB-CZ 3.45Å; A85-F483 VanDerWaalsContact CB-CZ 3.45Å; L89-F483 HydrophobicContact CD1-CE1 3.86Å; L89-F483 HydrophobicContact CD1-CZ 4.33Å; L89-F483 HydrophobicContact CD2-CE1 4.2Å; L89-F483 HydrophobicContact CG-CE1 3.81Å; M255-F483 HydrophobicContact CE-CD2 4.24Å; M255-F483 HydrophobicContact CE-CE2 3.71Å; M255-F483 HydrophobicContact CE-CZ 4.47Å; M255-F483 HydrophobicContact SD-CD2 3.51Å; M255-F483 VanDerWaalsContact SD-CD2 3.51Å; M255-F483 HydrophobicContact SD-CE2 3.64Å; M255-F483 HydrophobicContact SD-CG 4.46Å; V278-F483 HydrophobicContact CG1-CB 4.09Å; F479-F483 HydrophobicContact CE1-CB 4.28Å; F479-F483 HydrophobicContact CE1-CG 4.39Å; F479-F483 HydrophobicContact CE2-CB 4.29Å; F479-F483 HydrophobicContact CE2-CD2 4.24Å; F479-F483 HydrophobicContact CZ-CB 4.15Å; F479-F483 AromaticContact CZ-CD2 3.95Å; F479-F483 HydrophobicContact CZ-CD2 3.95Å; F479-F483 HydrophobicContact CZ-CG 4.07Å; F479-F483 WeakPolarHBondContact O-CB 3.4Å; F479-F483 PolarHBondContact O-N 3.46Å; V481-F483 PolarHBondContact O-N 3.31Å; F483-C485 VanDerWaalsContact C-N 3.34Å; F483-C485 PolarHBondContact O-N 2.82Å; F483-S486 PolarHBondContact O-N 3.38Å; F483-M487 HydrophobicContact CD1-CG 3.92Å; F483-M487 HydrophobicContact CE1-CG 3.45Å; F483-M487 VanDerWaalsContact CE1-CG 3.45Å; F483-M487 HydrophobicContact CE1-SD 4.37Å; F483-M487 HydrophobicContact CE2-CG 4.16Å; F483-M487 HydrophobicContact CE2-SD 4.48Å; F483-M487 HydrophobicContact CG-CG 4.43Å; F483-M487 HydrophobicContact CZ-CG 3.57Å; F483-M487 HydrophobicContact CZ-SD 3.94Å; F483-M487 WeakPolarHBondContact O-CB 3.36Å; F483-M487 VanDerWaalsContact O-CG 3.32Å; F483-M487 WeakPolarHBondContact O-CG 3.37Å; F483-M487 PolarHBondContact O-N 3.31Å
484	L	98	Very high	94.4	Very high	16 Å²	16	46.3 Å²	46.3	8%	0.084	25%	0.249	C	C	.	.	H	α-helix	trans	-65.4	-35.9	179.6	-69.3	175.4	0	0	0	112.6	A88 L89 K92 Y93 E480 V481 S486 M487 E488	A88-L484 HydrophobicContact CB-CD1 4.31Å; A88-L484 HydrophobicContact CB-CD2 4.12Å; A88-L484 HydrophobicContact CB-CG 4.14Å; L89-L484 HydrophobicContact CD2-CD2 3.97Å; L89-L484 HydrophobicContact CG-CD2 4.46Å; K92-L484 HydrophobicContact CB-CD1 4.1Å; K92-L484 HydrophobicContact CB-CD2 4.11Å; K92-L484 HydrophobicContact CD-CB 4.17Å; K92-L484 HydrophobicContact CD-CD1 3.95Å; K92-L484 HydrophobicContact CD-CD2 4.05Å; K92-L484 HydrophobicContact CD-CG 4.28Å; Y93-L484 HydrophobicContact CE2-CD2 4.43Å; E480-L484 HydrophobicContact CG-CD1 3.8Å; E480-L484 HydrophobicContact CG-CG 4.49Å; E480-L484 VanDerWaalsContact O-CB 3.3Å; E480-L484 WeakPolarHBondContact O-CB 3.45Å; E480-L484 WeakPolarHBondContact O-CG 3.42Å; E480-L484 PolarHBondContact O-N 2.63Å; V481-L484 PolarHBondContact O-N 2.86Å; L484-S486 VanDerWaalsContact C-N 3.35Å; L484-M487 PolarHBondContact O-N 2.99Å; L484-E488 PolarHBondContact O-N 3.08Å
485	C	97.1	Very high	94.4	Very high	85 Å²	85	48.8 Å²	48.8	57%	0.574	26%	0.263	S	S	*	.	H	α-helix	trans	-61.9	-42.7	174.3	-175.4	0	0	0	0	111.6	V481 F483	V481-C485 WeakPolarHBondContact O-CB 2.9Å; V481-C485 PolarHBondContact O-N 2.96Å; F483-C485 VanDerWaalsContact C-N 3.34Å; F483-C485 PolarHBondContact O-N 2.82Å
486	S	96.6	Very high	94.4	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-67.7	-40.4	175.8	-64.4	0	0	0	0	112.1	N276 A482 F483 L484 E488	N276-S486 PolarHBondContact ND2-OG 2.67Å; A482-S486 PolarHBondContact O-N 3.47Å; A482-S486 VanDerWaalsContact O-N 3.13Å; A482-S486 PolarHBondContact O-OG 3.3Å; F483-S486 PolarHBondContact O-N 3.38Å; L484-S486 VanDerWaalsContact C-N 3.35Å; S486-E488 VanDerWaalsContact C-N 3.35Å; S486-E488 PolarHBondContact O-N 3.48Å
487	M	96.9	Very high	94.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-71.6	-24.4	-178.8	-76.3	-57	-52	0	0	114.3	L89 V171 I173 M255 F483 L484 K489 L490 L491	L89-M487 HydrophobicContact CD2-CB 4.2Å; L89-M487 HydrophobicContact CD2-CE 4.47Å; L89-M487 HydrophobicContact CD2-CG 4.22Å; V171-M487 HydrophobicContact CG1-CE 3.97Å; I173-M487 HydrophobicContact CD1-CE 3.53Å; I173-M487 HydrophobicContact CD1-SD 3.7Å; I173-M487 HydrophobicContact CG1-CE 4.27Å; I173-M487 HydrophobicContact CG1-SD 4.37Å; M255-M487 HydrophobicContact CE-SD 3.98Å; F483-M487 HydrophobicContact CD1-CG 3.92Å; F483-M487 HydrophobicContact CE1-CG 3.45Å; F483-M487 VanDerWaalsContact CE1-CG 3.45Å; F483-M487 HydrophobicContact CE1-SD 4.37Å; F483-M487 HydrophobicContact CE2-CG 4.16Å; F483-M487 HydrophobicContact CE2-SD 4.48Å; F483-M487 HydrophobicContact CG-CG 4.43Å; F483-M487 HydrophobicContact CZ-CG 3.57Å; F483-M487 HydrophobicContact CZ-SD 3.94Å; F483-M487 WeakPolarHBondContact O-CB 3.36Å; F483-M487 VanDerWaalsContact O-CG 3.32Å; F483-M487 WeakPolarHBondContact O-CG 3.37Å; F483-M487 PolarHBondContact O-N 3.31Å; L484-M487 PolarHBondContact O-N 2.99Å; M487-K489 PolarHBondContact O-N 2.85Å; M487-L490 HydrophobicContact CE-CB 4.09Å; M487-L490 HydrophobicContact CE-CD1 3.9Å; M487-L490 WeakPolarHBondContact O-CA 3.43Å; M487-L490 WeakPolarHBondContact O-CB 3.44Å; M487-L490 PolarHBondContact O-N 3.16Å; M487-L490 HydrophobicContact SD-CD1 3.93Å; M487-L491 HydrophobicContact CB-CD1 4.29Å; M487-L491 HydrophobicContact CE-CD1 4.13Å; M487-L491 HydrophobicContact CE-CG 4.36Å; M487-L491 PolarHBondContact O-N 3.38Å
488	E	95.1	Very high	94.6	Very high	85 Å²	85	47.5 Å²	47.5	40%	0.397	26%	0.26	S	S	.	.	H	α-helix	trans	-54.5	-41.9	-179.5	-167.9	159.8	153.8	0	0	111.6	K92 L484 S486 L490 L491 T492	K92-E488 IonicContact NZ-OE2 2.77Å; K92-E488 PolarHBondContact NZ-OE2 2.81Å; L484-E488 PolarHBondContact O-N 3.08Å; S486-E488 VanDerWaalsContact C-N 3.35Å; S486-E488 PolarHBondContact O-N 3.48Å; E488-L490 PolarHBondContact O-N 3.32Å; E488-L490 VanDerWaalsContact O-N 3.14Å; E488-L491 PolarHBondContact O-N 2.88Å; E488-T492 HydrophobicContact CG-CG2 3.8Å; E488-T492 PolarHBondContact O-N 3.27Å; E488-T492 PolarHBondContact O-OG1 3.32Å
489	K	90.3	Very high	94.5	Very high	116 Å²	116	44.4 Å²	44.4	50%	0.504	25%	0.248	S	C	.	.	H	α-helix	trans	-61.3	-23	176.5	-62.6	176.4	179.6	-179.3	0	114	I253 M487	I253-K489 HydrophobicContact CD1-CB 3.88Å; I253-K489 HydrophobicContact CD1-CD 3.4Å; I253-K489 VanDerWaalsContact CD1-CD 3.4Å; I253-K489 HydrophobicContact CD1-CG 4.27Å; I253-K489 HydrophobicContact CG1-CB 4.05Å; I253-K489 HydrophobicContact CG1-CD 4.43Å; M487-K489 PolarHBondContact O-N 2.85Å
490	L	93.8	Very high	94.3	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-95.6	-8.1	176.5	-59.8	-177.4	0	0	0	113.1	V171 R192 D252 I253 M487 E488	V171-L490 HydrophobicContact CG1-CB 3.91Å; V171-L490 HydrophobicContact CG1-CD1 4.01Å; V171-L490 HydrophobicContact CG2-CB 4.48Å; V171-L490 WeakPolarHBondContact CG2-O 3.4Å; R192-L490 HydrophobicContact CB-CD2 4.14Å; R192-L490 PolarHBondContact NE-O 3.45Å; R192-L490 PolarHBondContact NH1-O 2.86Å; R192-L490 PolarHBondContact NH2-O 3.03Å; D252-L490 HydrophobicContact CB-CD2 3.59Å; I253-L490 HydrophobicContact CB-CD1 4.14Å; I253-L490 HydrophobicContact CB-CD2 4.17Å; I253-L490 HydrophobicContact CB-CG 4.15Å; I253-L490 HydrophobicContact CG1-CD1 4.38Å; I253-L490 HydrophobicContact CG1-CD2 3.75Å; I253-L490 HydrophobicContact CG1-CG 3.82Å; M487-L490 HydrophobicContact CE-CB 4.09Å; M487-L490 HydrophobicContact CE-CD1 3.9Å; M487-L490 WeakPolarHBondContact O-CA 3.43Å; M487-L490 WeakPolarHBondContact O-CB 3.44Å; M487-L490 PolarHBondContact O-N 3.16Å; M487-L490 HydrophobicContact SD-CD1 3.93Å; E488-L490 PolarHBondContact O-N 3.32Å; E488-L490 VanDerWaalsContact O-N 3.14Å
491	L	91.1	Very high	94.1	Very high	24 Å²	24	48.2 Å²	48.2	13%	0.126	27%	0.273	C	S	.	.	H	α-helix	trans	-118.9	-23.9	-173.3	-70.7	168.4	0	0	0	113.3	T63 V65 L89 Y93 V171 R192 M487 E488	T63-L491 HydrophobicContact CG2-CD2 4Å; V65-L491 HydrophobicContact CG2-CD2 3.64Å; L89-L491 HydrophobicContact CD2-CD1 3.74Å; Y93-L491 HydrophobicContact CD2-CD1 3.68Å; Y93-L491 HydrophobicContact CE1-CB 4.45Å; Y93-L491 HydrophobicContact CE2-CD1 3.4Å; Y93-L491 HydrophobicContact CG-CD1 4.36Å; V171-L491 HydrophobicContact CG2-CD2 3.79Å; R192-L491 PolarHBondContact NH2-O 3.47Å; M487-L491 HydrophobicContact CB-CD1 4.29Å; M487-L491 HydrophobicContact CE-CD1 4.13Å; M487-L491 HydrophobicContact CE-CG 4.36Å; M487-L491 PolarHBondContact O-N 3.38Å; E488-L491 PolarHBondContact O-N 2.88Å
492	T	76.6	Confident	93.7	Very high	129 Å²	129	44.1 Å²	44.1	79%	0.791	25%	0.246	S	C	*	.			trans	-84.3	0	165.7	61.3	0	0	0	0	110.2	R192 E488	R192-T492 PolarHBondContact NH1-OXT 3.26Å; E488-T492 HydrophobicContact CG-CG2 3.8Å; E488-T492 PolarHBondContact O-N 3.27Å; E488-T492 PolarHBondContact O-OG1 3.32Å

Retrieved 492 of 492 residues in 807.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).