A0A077ZGC4_TRITR 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 , UniProt , Accession A0A077ZGC4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 469 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.4	Very low	58.1	Low	240 Å²	240	124.3 Å²	124.3	100%	1.182	67%	0.67	S	S	*	*				0	108.6	0	-86.7	175.2	175.7	0	0	107.6
2	F	43	Very low	59.6	Low	201 Å²	201	121.6 Å²	121.6	88%	0.882	65%	0.653	S	S	*	*			trans	-66.4	130.7	166.4	-76.9	-83.8	0	0	0	107.8
3	P	47.4	Very low	60.7	Low	101 Å²	101	116.5 Å²	116.5	66%	0.656	64%	0.639	S	S	*	*			trans	-63.7	147.4	-179.8	28.3	-33.2	0	0	0	109	L5	P3-L5 PolarHBondContact O-N 3.03Å
4	P	51.3	Low	61.8	Low	89 Å²	89	117.1 Å²	117.1	58%	0.578	63%	0.632	S	S	*	*			trans	-67.4	114.5	-168.8	27.2	-32.3	0	0	0	109.7	S6 V7	P4-S6 PolarHBondContact O-N 3.44Å; P4-V7 HydrophobicContact CG-CG2 4.44Å; P4-V7 PolarHBondContact O-N 3.27Å
5	L	53.6	Low	62.8	Low	136 Å²	136	112.3 Å²	112.3	71%	0.712	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.4	-8.8	173.4	-87.5	137.4	0	0	0	113.8	P3 V7	P3-L5 PolarHBondContact O-N 3.03Å; L5-V7 VanDerWaalsContact C-N 3.31Å; L5-V7 PolarHBondContact O-N 2.9Å
6	S	54.8	Low	63.6	Low	86 Å²	86	111.5 Å²	111.5	60%	0.601	61%	0.609	S	S	*	*	H	α-helix	trans	-67.1	-27.6	176.9	56.6	0	0	0	0	113.8	P4	P4-S6 PolarHBondContact O-N 3.44Å
7	V	55.4	Low	64.4	Low	83 Å²	83	111 Å²	111	50%	0.503	61%	0.605	S	S	.	*	H	α-helix	trans	-71.6	-32.5	-177	179.8	0	0	0	0	111.6	P4 L5 Y11	P4-V7 HydrophobicContact CG-CG2 4.44Å; P4-V7 PolarHBondContact O-N 3.27Å; L5-V7 VanDerWaalsContact C-N 3.31Å; L5-V7 PolarHBondContact O-N 2.9Å; V7-Y11 HydrophobicContact CG1-CD2 4.04Å; V7-Y11 HydrophobicContact CG1-CE2 3.52Å; V7-Y11 WeakPolarHBondContact O-CD2 3.08Å
8	S	66.8	Low	65.1	Low	67 Å²	67	109.1 Å²	109.1	47%	0.469	59%	0.593	S	S	.	*	H	α-helix	trans	-71.9	-40.2	-177.8	178.6	0	0	0	0	113.3	G10 Y11 I12	S8-G10 VanDerWaalsContact C-N 3.34Å; S8-G10 PolarHBondContact O-N 3.44Å; S8-Y11 PolarHBondContact O-N 2.81Å; S8-I12 WeakPolarHBondContact O-CG1 3.28Å; S8-I12 PolarHBondContact O-N 3.42Å; S8-I12 VanDerWaalsContact O-N 3.14Å
9	F	69.6	Low	65.7	Low	152 Å²	152	108.3 Å²	108.3	67%	0.667	59%	0.587	S	S	*	*	H	α-helix	trans	-65.7	-36.7	-179.7	-83.7	-82	0	0	0	112.8	I12 A13	F9-I12 PolarHBondContact O-N 3.43Å; F9-A13 VanDerWaalsContact O-CB 3.25Å; F9-A13 WeakPolarHBondContact O-CB 3.36Å; F9-A13 PolarHBondContact O-N 2.89Å
10	G	75.3	Confident	66.1	Low	45 Å²	45	106.7 Å²	106.7	46%	0.464	58%	0.58	S	S	.	*	H	α-helix	trans	-61.6	-45.8	177.8	0	0	0	0	0	112.4	S8 A13 F14	S8-G10 VanDerWaalsContact C-N 3.34Å; S8-G10 PolarHBondContact O-N 3.44Å; G10-A13 PolarHBondContact O-N 3.46Å; G10-F14 WeakPolarHBondContact O-CB 3.25Å; G10-F14 PolarHBondContact O-N 3.14Å
11	Y	77.9	Confident	66.3	Low	167 Å²	167	104.7 Å²	104.7	66%	0.655	57%	0.572	S	S	*	*	H	α-helix	trans	-67.3	-40.6	177.7	-71.7	-65.6	0	0	0	112.8	V7 S8 F14 A15	V7-Y11 HydrophobicContact CG1-CD2 4.04Å; V7-Y11 HydrophobicContact CG1-CE2 3.52Å; V7-Y11 WeakPolarHBondContact O-CD2 3.08Å; S8-Y11 PolarHBondContact O-N 2.81Å; Y11-F14 PolarHBondContact O-N 3.42Å; Y11-A15 WeakPolarHBondContact O-CB 3.22Å; Y11-A15 PolarHBondContact O-N 2.88Å
12	I	76.4	Confident	67.8	Low	92 Å²	92	97.2 Å²	97.2	47%	0.472	54%	0.54	S	S	.	.	H	α-helix	trans	-64.4	-46.4	176.7	-65.8	167.7	0	0	0	110.2	S8 F9 F14 A15 L16	S8-I12 WeakPolarHBondContact O-CG1 3.28Å; S8-I12 PolarHBondContact O-N 3.42Å; S8-I12 VanDerWaalsContact O-N 3.14Å; F9-I12 PolarHBondContact O-N 3.43Å; I12-F14 VanDerWaalsContact C-N 3.34Å; I12-F14 PolarHBondContact O-N 3.48Å; I12-A15 PolarHBondContact O-N 2.85Å; I12-L16 HydrophobicContact CG2-CD1 3.89Å; I12-L16 HydrophobicContact CG2-CG 4.41Å; I12-L16 WeakPolarHBondContact O-CB 3.21Å; I12-L16 VanDerWaalsContact O-CG 3.28Å; I12-L16 WeakPolarHBondContact O-CG 3.33Å; I12-L16 PolarHBondContact O-N 3.38Å
13	A	73.9	Confident	69.2	Low	56 Å²	56	91.8 Å²	91.8	46%	0.463	52%	0.52	S	S	.	.	H	α-helix	trans	-63	-40.5	177.7	0	0	0	0	0	112	F9 G10 L17	F9-A13 VanDerWaalsContact O-CB 3.25Å; F9-A13 WeakPolarHBondContact O-CB 3.36Å; F9-A13 PolarHBondContact O-N 2.89Å; G10-A13 PolarHBondContact O-N 3.46Å; A13-L17 WeakPolarHBondContact O-CB 3.34Å; A13-L17 PolarHBondContact O-N 3.48Å
14	F	76.1	Confident	70.2	Confident	125 Å²	125	88.4 Å²	88.4	55%	0.548	50%	0.496	S	S	.	.	H	α-helix	trans	-68.1	-43	176.7	-173.9	-108.4	0	0	0	112.2	G10 Y11 I12 L17 I18	G10-F14 WeakPolarHBondContact O-CB 3.25Å; G10-F14 PolarHBondContact O-N 3.14Å; Y11-F14 PolarHBondContact O-N 3.42Å; I12-F14 VanDerWaalsContact C-N 3.34Å; I12-F14 PolarHBondContact O-N 3.48Å; F14-L17 WeakPolarHBondContact O-CB 3.21Å; F14-L17 PolarHBondContact O-N 2.87Å; F14-I18 HydrophobicContact CD1-CD1 3.74Å; F14-I18 HydrophobicContact CE1-CD1 3.3Å; F14-I18 HydrophobicContact CE1-CG1 4.24Å; F14-I18 HydrophobicContact CZ-CD1 3.73Å; F14-I18 HydrophobicContact CZ-CG1 4.33Å; F14-I18 WeakPolarHBondContact O-CG1 3.46Å; F14-I18 PolarHBondContact O-N 3.23Å
15	A	75.8	Confident	71.2	Confident	44 Å²	44	88.6 Å²	88.6	36%	0.364	49%	0.492	S	S	.	.	H	α-helix	trans	-63.1	-43.5	174.7	0	0	0	0	0	111.3	Y11 I12 L17 I18 I19	Y11-A15 WeakPolarHBondContact O-CB 3.22Å; Y11-A15 PolarHBondContact O-N 2.88Å; I12-A15 PolarHBondContact O-N 2.85Å; A15-L17 VanDerWaalsContact C-N 3.34Å; A15-L17 PolarHBondContact O-N 2.82Å; A15-I18 PolarHBondContact O-N 3.48Å; A15-I19 WeakPolarHBondContact O-CB 3.42Å; A15-I19 WeakPolarHBondContact O-CG1 3.3Å; A15-I19 PolarHBondContact O-N 2.9Å
16	L	76.7	Confident	72.1	Confident	100 Å²	100	86.7 Å²	86.7	52%	0.524	48%	0.478	S	S	.	.	H	α-helix	trans	-60.4	-42.8	172.6	-75.6	169.1	0	0	0	111.4	I12 I18 I19 V20	I12-L16 HydrophobicContact CG2-CD1 3.89Å; I12-L16 HydrophobicContact CG2-CG 4.41Å; I12-L16 WeakPolarHBondContact O-CB 3.21Å; I12-L16 VanDerWaalsContact O-CG 3.28Å; I12-L16 WeakPolarHBondContact O-CG 3.33Å; I12-L16 PolarHBondContact O-N 3.38Å; L16-I18 PolarHBondContact O-N 2.81Å; L16-I19 PolarHBondContact O-N 2.74Å; L16-V20 VanDerWaalsContact O-CB 3.25Å; L16-V20 WeakPolarHBondContact O-CB 3.38Å; L16-V20 WeakPolarHBondContact O-CG2 3.45Å; L16-V20 PolarHBondContact O-N 2.87Å
17	L	76.6	Confident	72.8	Confident	103 Å²	103	84.1 Å²	84.1	54%	0.539	46%	0.457	S	S	.	.	H	α-helix	trans	-62.1	-42.3	176.2	-176.4	69.7	0	0	0	111.5	A13 F14 A15 T21	A13-L17 WeakPolarHBondContact O-CB 3.34Å; A13-L17 PolarHBondContact O-N 3.48Å; F14-L17 WeakPolarHBondContact O-CB 3.21Å; F14-L17 PolarHBondContact O-N 2.87Å; A15-L17 VanDerWaalsContact C-N 3.34Å; A15-L17 PolarHBondContact O-N 2.82Å; L17-T21 VanDerWaalsContact O-CB 3.27Å; L17-T21 WeakPolarHBondContact O-CB 3.41Å; L17-T21 PolarHBondContact O-N 3.36Å; L17-T21 PolarHBondContact O-OG1 3.27Å
18	I	76.5	Confident	73.6	Confident	77 Å²	77	85.5 Å²	85.5	40%	0.395	45%	0.453	S	S	.	.	H	α-helix	trans	-64.3	-50.6	175.1	-71.2	173	0	0	0	110	F14 A15 L16 V20 T21 V22	F14-I18 HydrophobicContact CD1-CD1 3.74Å; F14-I18 HydrophobicContact CE1-CD1 3.3Å; F14-I18 HydrophobicContact CE1-CG1 4.24Å; F14-I18 HydrophobicContact CZ-CD1 3.73Å; F14-I18 HydrophobicContact CZ-CG1 4.33Å; F14-I18 WeakPolarHBondContact O-CG1 3.46Å; F14-I18 PolarHBondContact O-N 3.23Å; A15-I18 PolarHBondContact O-N 3.48Å; L16-I18 PolarHBondContact O-N 2.81Å; I18-V20 VanDerWaalsContact C-N 3.27Å; I18-V20 PolarHBondContact O-N 3.24Å; I18-T21 CarbonylContact O-C 3.58Å; I18-T21 PolarHBondContact O-N 2.83Å; I18-T21 VanDerWaalsContact O-N 3.11Å; I18-V22 HydrophobicContact CG2-CG2 3.97Å; I18-V22 WeakPolarHBondContact O-CB 3.43Å; I18-V22 VanDerWaalsContact O-CG2 3.29Å; I18-V22 WeakPolarHBondContact O-CG2 3.15Å; I18-V22 PolarHBondContact O-N 3.34Å
19	I	76.3	Confident	73.7	Confident	93 Å²	93	89 Å²	89	48%	0.477	47%	0.466	S	S	.	.	H	α-helix	trans	-57.9	-44	180	-70.6	165.3	0	0	0	110.2	A15 L16 N23	A15-I19 WeakPolarHBondContact O-CB 3.42Å; A15-I19 WeakPolarHBondContact O-CG1 3.3Å; A15-I19 PolarHBondContact O-N 2.9Å; L16-I19 PolarHBondContact O-N 2.74Å; I19-N23 WeakPolarHBondContact CG2-ND2 3.29Å; I19-N23 VanDerWaalsContact O-CB 3.3Å; I19-N23 WeakPolarHBondContact O-CB 3.25Å; I19-N23 PolarHBondContact O-N 3.11Å; I19-N23 PolarHBondContact O-ND2 3.38Å
20	V	73.4	Confident	73.5	Confident	76 Å²	76	90 Å²	90	46%	0.461	47%	0.466	S	S	.	.	H	α-helix	trans	-61.3	-53	174.2	168.3	0	0	0	0	109.4	L16 I18 V22 N23 L24	L16-V20 VanDerWaalsContact O-CB 3.25Å; L16-V20 WeakPolarHBondContact O-CB 3.38Å; L16-V20 WeakPolarHBondContact O-CG2 3.45Å; L16-V20 PolarHBondContact O-N 2.87Å; I18-V20 VanDerWaalsContact C-N 3.27Å; I18-V20 PolarHBondContact O-N 3.24Å; V20-V22 PolarHBondContact O-N 3.35Å; V20-N23 PolarHBondContact O-N 3.34Å; V20-L24 HydrophobicContact CG1-CD1 3.49Å; V20-L24 VanDerWaalsContact CG1-CD1 3.49Å; V20-L24 HydrophobicContact CG1-CG 4.12Å; V20-L24 VanDerWaalsContact O-CB 3.3Å; V20-L24 WeakPolarHBondContact O-CB 3.27Å; V20-L24 WeakPolarHBondContact O-CD1 3.44Å; V20-L24 WeakPolarHBondContact O-CG 3.45Å; V20-L24 PolarHBondContact O-N 2.68Å
21	T	72.1	Confident	73	Confident	65 Å²	65	93.3 Å²	93.3	40%	0.399	46%	0.464	S	S	.	.	H	α-helix	trans	-59.5	-41.2	-179.4	-54.7	0	0	0	0	113.1	L17 I18 L24 L25	L17-T21 VanDerWaalsContact O-CB 3.27Å; L17-T21 WeakPolarHBondContact O-CB 3.41Å; L17-T21 PolarHBondContact O-N 3.36Å; L17-T21 PolarHBondContact O-OG1 3.27Å; I18-T21 CarbonylContact O-C 3.58Å; I18-T21 PolarHBondContact O-N 2.83Å; I18-T21 VanDerWaalsContact O-N 3.11Å; T21-L24 WeakPolarHBondContact O-CB 3.42Å; T21-L24 PolarHBondContact O-N 2.81Å; T21-L25 HydrophobicContact CG2-CD1 4.16Å; T21-L25 WeakPolarHBondContact O-CB 3.01Å; T21-L25 WeakPolarHBondContact O-CG 3.3Å; T21-L25 PolarHBondContact O-N 3.33Å
22	V	75.1	Confident	72.1	Confident	84 Å²	84	94.2 Å²	94.2	51%	0.509	47%	0.471	S	S	.	.	H	α-helix	trans	-67.7	-46.2	177.1	170.9	0	0	0	0	110.7	I18 V20 L24 L25 F26	I18-V22 HydrophobicContact CG2-CG2 3.97Å; I18-V22 WeakPolarHBondContact O-CB 3.43Å; I18-V22 VanDerWaalsContact O-CG2 3.29Å; I18-V22 WeakPolarHBondContact O-CG2 3.15Å; I18-V22 PolarHBondContact O-N 3.34Å; V20-V22 PolarHBondContact O-N 3.35Å; V22-L24 VanDerWaalsContact C-N 3.26Å; V22-L24 PolarHBondContact O-N 2.85Å; V22-L25 PolarHBondContact O-N 2.81Å; V22-F26 VanDerWaalsContact O-CB 3.25Å; V22-F26 WeakPolarHBondContact O-CB 3.25Å; V22-F26 PolarHBondContact O-N 2.82Å
23	N	71.6	Confident	71.4	Confident	86 Å²	86	96.1 Å²	96.1	46%	0.46	49%	0.487	S	S	.	.	H	α-helix	trans	-60.7	-38.9	173.9	-83.1	-67.5	0	0	0	111	I19 V20 F26 L27	I19-N23 WeakPolarHBondContact CG2-ND2 3.29Å; I19-N23 VanDerWaalsContact O-CB 3.3Å; I19-N23 WeakPolarHBondContact O-CB 3.25Å; I19-N23 PolarHBondContact O-N 3.11Å; I19-N23 PolarHBondContact O-ND2 3.38Å; V20-N23 PolarHBondContact O-N 3.34Å; N23-F26 CarbonylContact O-C 3.55Å; N23-F26 WeakPolarHBondContact O-CB 3.39Å; N23-F26 PolarHBondContact O-N 3.31Å; N23-L27 WeakPolarHBondContact O-CB 3.4Å; N23-L27 WeakPolarHBondContact O-CG 3.25Å; N23-L27 PolarHBondContact O-N 2.84Å
24	L	69.6	Low	70.9	Confident	31 Å²	31	97.7 Å²	97.7	16%	0.162	49%	0.487	C	S	.	.	H	α-helix	trans	-65.4	-44.8	177.1	-70.1	170.6	0	0	0	112.9	V20 T21 V22 F26 L27 R28 L162	V20-L24 HydrophobicContact CG1-CD1 3.49Å; V20-L24 VanDerWaalsContact CG1-CD1 3.49Å; V20-L24 HydrophobicContact CG1-CG 4.12Å; V20-L24 VanDerWaalsContact O-CB 3.3Å; V20-L24 WeakPolarHBondContact O-CB 3.27Å; V20-L24 WeakPolarHBondContact O-CD1 3.44Å; V20-L24 WeakPolarHBondContact O-CG 3.45Å; V20-L24 PolarHBondContact O-N 2.68Å; T21-L24 WeakPolarHBondContact O-CB 3.42Å; T21-L24 PolarHBondContact O-N 2.81Å; V22-L24 VanDerWaalsContact C-N 3.26Å; V22-L24 PolarHBondContact O-N 2.85Å; L24-F26 VanDerWaalsContact C-N 3.28Å; L24-F26 PolarHBondContact O-N 3.48Å; L24-L27 HydrophobicContact CD2-CD1 4.28Å; L24-L27 PolarHBondContact O-N 3.02Å; L24-R28 WeakPolarHBondContact O-CG 3.41Å; L24-R28 PolarHBondContact O-N 3.37Å; L24-L162 HydrophobicContact CD1-CD2 3.55Å; L24-L162 HydrophobicContact CD2-CB 3.42Å; L24-L162 VanDerWaalsContact CD2-CB 3.42Å; L24-L162 HydrophobicContact CD2-CD1 3.96Å; L24-L162 HydrophobicContact CD2-CD2 3.69Å; L24-L162 HydrophobicContact CD2-CG 3.85Å; L24-L162 HydrophobicContact CG-CD2 4.24Å
25	L	71.6	Confident	70.5	Confident	92 Å²	92	98.5 Å²	98.5	48%	0.482	50%	0.502	S	S	.	.	H	α-helix	trans	-60.3	-42.1	171.2	-80.7	161.6	0	0	0	110.6	T21 V22 R28 L29	T21-L25 HydrophobicContact CG2-CD1 4.16Å; T21-L25 WeakPolarHBondContact O-CB 3.01Å; T21-L25 WeakPolarHBondContact O-CG 3.3Å; T21-L25 PolarHBondContact O-N 3.33Å; V22-L25 PolarHBondContact O-N 2.81Å; L25-R28 WeakPolarHBondContact O-CB 3.44Å; L25-R28 PolarHBondContact O-N 2.78Å; L25-L29 WeakPolarHBondContact O-CB 3.47Å; L25-L29 WeakPolarHBondContact O-CG 3.2Å; L25-L29 PolarHBondContact O-N 2.91Å
26	F	72.9	Confident	70.8	Confident	97 Å²	97	99.4 Å²	99.4	43%	0.425	52%	0.516	S	S	.	.	H	α-helix	trans	-65.6	-40	178.1	-170	-106.2	0	0	0	112.7	V22 N23 L24 R28 L29 R30	V22-F26 VanDerWaalsContact O-CB 3.25Å; V22-F26 WeakPolarHBondContact O-CB 3.25Å; V22-F26 PolarHBondContact O-N 2.82Å; N23-F26 CarbonylContact O-C 3.55Å; N23-F26 WeakPolarHBondContact O-CB 3.39Å; N23-F26 PolarHBondContact O-N 3.31Å; L24-F26 VanDerWaalsContact C-N 3.28Å; L24-F26 PolarHBondContact O-N 3.48Å; F26-R28 VanDerWaalsContact C-N 3.33Å; F26-L29 PolarHBondContact O-N 3.23Å; F26-R30 HydrophobicContact CD1-CG 4.38Å; F26-R30 HydrophobicContact CE1-CG 4.11Å; F26-R30 HydrophobicContact CZ-CG 4.26Å; F26-R30 WeakPolarHBondContact O-CB 3.44Å; F26-R30 PolarHBondContact O-N 3.26Å
27	L	70	Confident	71.4	Confident	31 Å²	31	97.6 Å²	97.6	16%	0.162	50%	0.504	C	S	.	.	H	α-helix	trans	-60.6	-43.6	172.8	-69.1	166.2	0	0	0	110.7	N23 L24	N23-L27 WeakPolarHBondContact O-CB 3.4Å; N23-L27 WeakPolarHBondContact O-CG 3.25Å; N23-L27 PolarHBondContact O-N 2.84Å; L24-L27 HydrophobicContact CD2-CD1 4.28Å; L24-L27 PolarHBondContact O-N 3.02Å
28	R	71	Confident	72.2	Confident	113 Å²	113	94.1 Å²	94.1	43%	0.426	49%	0.487	S	S	.	.	H	α-helix	trans	-63.9	-43.3	174.6	-74.1	179.4	173.4	-157.2	-5.5	112.8	L24 L25 F26 R31 L161 L162	L24-R28 WeakPolarHBondContact O-CG 3.41Å; L24-R28 PolarHBondContact O-N 3.37Å; L25-R28 WeakPolarHBondContact O-CB 3.44Å; L25-R28 PolarHBondContact O-N 2.78Å; F26-R28 VanDerWaalsContact C-N 3.33Å; R28-R31 VanDerWaalsContact O-CB 3.3Å; R28-R31 WeakPolarHBondContact O-CB 3.16Å; R28-R31 PolarHBondContact O-N 3.35Å; R28-L161 PolarHBondContact NH2-O 3.28Å; R28-L162 WeakPolarHBondContact CG-O 3.34Å; R28-L162 PolarHBondContact NE-O 3.01Å
29	L	69	Low	73	Confident	141 Å²	141	94.2 Å²	94.2	74%	0.738	48%	0.483	S	S	*	.	H	α-helix	trans	-71	-28.9	-178.6	-71.4	169.2	0	0	0	112.8	L25 F26 R31	L25-L29 WeakPolarHBondContact O-CB 3.47Å; L25-L29 WeakPolarHBondContact O-CG 3.2Å; L25-L29 PolarHBondContact O-N 2.91Å; F26-L29 PolarHBondContact O-N 3.23Å; L29-R31 PolarHBondContact O-N 3.12Å
30	R	66.8	Low	74	Confident	173 Å²	173	89.8 Å²	89.8	65%	0.653	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-2.5	175.1	-86.3	-168.9	165.5	-174.2	2.3	114.2	F26 K32	F26-R30 HydrophobicContact CD1-CG 4.38Å; F26-R30 HydrophobicContact CE1-CG 4.11Å; F26-R30 HydrophobicContact CZ-CG 4.26Å; F26-R30 WeakPolarHBondContact O-CB 3.44Å; F26-R30 PolarHBondContact O-N 3.26Å; R30-K32 PolarHBondContact O-N 2.89Å
31	R	63.9	Low	75.2	Confident	113 Å²	113	86.1 Å²	86.1	43%	0.426	44%	0.438	S	S	.	.			trans	-63.8	109.5	-179.6	-165.3	175.5	-176.2	-177.5	-0.1	109.7	R28 L29 D144	R28-R31 VanDerWaalsContact O-CB 3.3Å; R28-R31 WeakPolarHBondContact O-CB 3.16Å; R28-R31 PolarHBondContact O-N 3.35Å; L29-R31 PolarHBondContact O-N 3.12Å; R31-D144 IonicContact CZ-OD1 3.88Å; R31-D144 IonicContact NE-OD1 3.05Å; R31-D144 PolarHBondContact NE-OD1 3.03Å; R31-D144 IonicContact NH2-OD1 3.55Å; R31-D144 PolarHBondContact NH2-OD1 3.38Å
32	K	59.8	Low	76.5	Confident	186 Å²	186	83 Å²	83	81%	0.809	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-65.1	145.8	172.6	-65.6	-174.6	178.6	-177.1	0	109.5	R30 L34	R30-K32 PolarHBondContact O-N 2.89Å; K32-L34 PolarHBondContact O-N 3.31Å
33	T	60.4	Low	77.6	Confident	132 Å²	132	79 Å²	79	81%	0.81	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-53.8	136.8	166.9	-19	0	0	0	0	109.1	V35	T33-V35 PolarHBondContact O-N 2.93Å; T33-V35 VanDerWaalsContact O-N 3.16Å
34	L	64.4	Low	78.8	Confident	89 Å²	89	75.1 Å²	75.1	47%	0.466	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-63.1	117	-178.3	-149.3	106.8	0	0	0	109.2	K32 G36 P38 D144	K32-L34 PolarHBondContact O-N 3.31Å; L34-G36 WeakPolarHBondContact CD2-O 3.48Å; L34-P38 HydrophobicContact CD2-CB 4.32Å; L34-D144 HydrophobicContact CD1-CB 3.93Å; L34-D144 WeakPolarHBondContact CD1-OD1 3.27Å; L34-D144 WeakPolarHBondContact CD1-OD2 3.44Å
35	V	66.4	Low	80.1	Confident	142 Å²	142	73.8 Å²	73.8	86%	0.861	37%	0.367	S	S	*	.			trans	-115.1	115.7	169.7	-179.3	0	0	0	0	106.9	T33	T33-V35 PolarHBondContact O-N 2.93Å; T33-V35 VanDerWaalsContact O-N 3.16Å
36	G	83.8	Confident	81.1	Confident	63 Å²	63	74.1 Å²	74.1	65%	0.649	37%	0.369	S	S	*	.	S	Bend	trans	90.4	-152	-179	0	0	0	0	0	114.3	L34	L34-G36 WeakPolarHBondContact CD2-O 3.48Å
37	K	88.5	Confident	82.1	Confident	63 Å²	63	69.6 Å²	69.6	27%	0.274	35%	0.349	S	S	.	.	S	Bend	trans	-66.4	143	-178.3	-69.9	175.7	-179	176.4	0	110.7	S68 D71 E100	K37-S68 WeakPolarHBondContact CE-O 3.48Å; K37-D71 WeakPolarHBondContact CD-OD1 3.46Å; K37-E100 IonicContact NZ-OE1 2.97Å; K37-E100 PolarHBondContact NZ-OE1 3.23Å; K37-E100 IonicContact NZ-OE2 3.24Å; K37-E100 PolarHBondContact NZ-OE2 3.33Å
38	P	92.7	Very high	83.2	Confident	29 Å²	29	69.5 Å²	69.5	19%	0.188	35%	0.349	C	S	.	.			trans	-61.7	138.2	170.7	26.7	-34.9	0	0	0	110.8	L34 V40 I69 A70 D71	L34-P38 HydrophobicContact CD2-CB 4.32Å; P38-V40 PolarHBondContact O-N 3.42Å; P38-I69 WeakPolarHBondContact CD-O 3.36Å; P38-I69 WeakPolarHBondContact CG-O 3.29Å; P38-A70 HydrophobicContact CG-CB 4.23Å; P38-A70 WeakPolarHBondContact O-CA 3.33Å; P38-A70 WeakPolarHBondContact O-CB 3.42Å; P38-D71 PolarHBondContact O-N 3.34Å
39	R	94.7	Very high	84	Confident	79 Å²	79	66 Å²	66	30%	0.298	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	112.2	176.2	-58.3	170.2	-59.6	142.2	11.6	109.1	Y73 F141 Q142 D144 I145	R39-Y73 HydrophobicContact CB-CD2 4.39Å; R39-Y73 HydrophobicContact CB-CE2 4.07Å; R39-Y73 HydrophobicContact CG-CE2 4.16Å; R39-F141 HydrophobicContact CB-CZ 4.03Å; R39-Q142 PolarHBondContact NH1-O 3.49Å; R39-Q142 VanDerWaalsContact NH1-O 3.08Å; R39-Q142 PolarHBondContact NH2-O 3.16Å; R39-D144 WeakPolarHBondContact CB-OD2 3.2Å; R39-D144 IonicContact CZ-OD2 4Å; R39-D144 PolarHBondContact N-OD2 3.25Å; R39-D144 IonicContact NE-OD2 2.89Å; R39-D144 PolarHBondContact NE-OD2 2.86Å; R39-D144 IonicContact NH2-OD1 3.64Å; R39-D144 IonicContact NH2-OD2 3.49Å; R39-D144 PolarHBondContact NH2-OD2 3.45Å; R39-D144 PolarHBondContact O-N 3.22Å; R39-I145 PolarHBondContact O-N 3.45Å
40	V	97.4	Very high	84.6	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	121.9	-179.1	179.6	0	0	0	0	108.5	P38 F42 L64 A70 D71 C72 Y73 I145 I147 F462	P38-V40 PolarHBondContact O-N 3.42Å; V40-F42 HydrophobicContact CG1-CD2 4.23Å; V40-F42 HydrophobicContact CG1-CE2 3.68Å; V40-F42 HydrophobicContact CG1-CZ 4.09Å; V40-L64 HydrophobicContact CG1-CD1 4.3Å; V40-A70 HydrophobicContact CB-CB 4.16Å; V40-A70 HydrophobicContact CG2-CB 3.42Å; V40-A70 VanDerWaalsContact CG2-CB 3.42Å; V40-D71 PolarHBondContact N-O 2.85Å; V40-C72 WeakPolarHBondContact O-CA 3.44Å; V40-Y73 PolarHBondContact O-N 3.02Å; V40-I145 WeakPolarHBondContact CA-O 3.42Å; V40-I145 HydrophobicContact CG2-CB 4.19Å; V40-I145 HydrophobicContact CG2-CD1 4.27Å; V40-I147 HydrophobicContact CG1-CD1 3.69Å; V40-I147 HydrophobicContact CG1-CG1 4.06Å; V40-F462 HydrophobicContact CG1-CE2 4.19Å; V40-F462 HydrophobicContact CG2-CE2 3.68Å; V40-F462 HydrophobicContact CG2-CZ 3.51Å
41	A	98.2	Very high	85.3	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128.8	174.8	0	0	0	0	0	111.8	Y73 Y75 F141 P143 I145 F146 I147	A41-Y73 CarbonylContact C-O 3.57Å; A41-Y73 WeakPolarHBondContact CA-O 3.4Å; A41-Y75 HydrophobicContact CB-CD2 4.15Å; A41-Y75 HydrophobicContact CB-CE2 3.44Å; A41-Y75 VanDerWaalsContact CB-CE2 3.44Å; A41-F141 HydrophobicContact CB-CD1 4.15Å; A41-F141 HydrophobicContact CB-CE1 4.14Å; A41-P143 HydrophobicContact CB-CB 3.58Å; A41-P143 HydrophobicContact CB-CG 3.84Å; A41-I145 PolarHBondContact N-O 3.36Å; A41-F146 WeakPolarHBondContact O-CA 3.48Å; A41-I147 PolarHBondContact O-N 3.44Å
42	F	98.5	Very high	86.3	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	129.4	172.8	-65.6	-96.9	0	0	0	109.9	V40 H44 L57 A60 I61 L64 Y73 V74 Y75 I147 T149 F458	V40-F42 HydrophobicContact CG1-CD2 4.23Å; V40-F42 HydrophobicContact CG1-CE2 3.68Å; V40-F42 HydrophobicContact CG1-CZ 4.09Å; F42-H44 PolarHBondContact O-N 3.49Å; F42-L57 HydrophobicContact CB-CD1 3.43Å; F42-L57 VanDerWaalsContact CB-CD1 3.43Å; F42-L57 HydrophobicContact CD1-CD1 3.72Å; F42-L57 HydrophobicContact CD2-CD1 4.41Å; F42-L57 HydrophobicContact CG-CD1 3.61Å; F42-A60 HydrophobicContact CE1-CB 3.89Å; F42-A60 HydrophobicContact CZ-CB 4.17Å; F42-I61 HydrophobicContact CD2-CD1 4.27Å; F42-I61 HydrophobicContact CD2-CG1 3.89Å; F42-I61 HydrophobicContact CE2-CD1 4.5Å; F42-I61 HydrophobicContact CE2-CG1 3.64Å; F42-I61 HydrophobicContact CZ-CG1 4.07Å; F42-L64 HydrophobicContact CE2-CD1 4.06Å; F42-L64 HydrophobicContact CZ-CD1 3.8Å; F42-Y73 PolarHBondContact N-O 3.44Å; F42-V74 WeakPolarHBondContact O-CA 3.29Å; F42-Y75 PolarHBondContact O-N 3.16Å; F42-I147 CarbonylContact C-O 3.51Å; F42-I147 VanDerWaalsContact CA-O 3.31Å; F42-I147 WeakPolarHBondContact CA-O 3.41Å; F42-I147 HydrophobicContact CD1-CB 3.84Å; F42-I147 HydrophobicContact CD1-CD1 4.42Å; F42-I147 HydrophobicContact CD1-CG2 3.99Å; F42-I147 HydrophobicContact CE1-CB 4.03Å; F42-I147 HydrophobicContact CE1-CD1 3.76Å; F42-I147 HydrophobicContact CE1-CG1 4.4Å; F42-I147 HydrophobicContact CE1-CG2 4.01Å; F42-I147 HydrophobicContact CG-CB 4.47Å; F42-I147 HydrophobicContact CZ-CD1 3.88Å; F42-T149 HydrophobicContact CD1-CG2 4.07Å; F42-F458 HydrophobicContact CE1-CZ 4.23Å; F42-F458 HydrophobicContact CZ-CZ 4.21Å
43	F	98.2	Very high	87.7	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	106.6	168.9	-169.7	-95.3	0	0	0	109.4	P45 Y75 L107 L113 V133 F146 I147 T149 F152 T155	F43-P45 HydrophobicContact CD1-CG 4.27Å; F43-P45 HydrophobicContact CE1-CG 3.61Å; F43-P45 HydrophobicContact CE2-CG 4.29Å; F43-P45 HydrophobicContact CZ-CG 3.63Å; F43-Y75 HydrophobicContact CB-CD2 4.42Å; F43-Y75 HydrophobicContact CD2-CD2 4.16Å; F43-Y75 HydrophobicContact CD2-CG 4.27Å; F43-L107 HydrophobicContact CE2-CD1 3.87Å; F43-L113 HydrophobicContact CE1-CD1 4.3Å; F43-L113 HydrophobicContact CZ-CD1 4.08Å; F43-V133 HydrophobicContact CE2-CG1 3.92Å; F43-V133 HydrophobicContact CZ-CG1 3.78Å; F43-F146 HydrophobicContact CB-CE2 3.69Å; F43-F146 HydrophobicContact CB-CZ 3.52Å; F43-F146 HydrophobicContact CD2-CE2 4.44Å; F43-F146 HydrophobicContact CD2-CZ 4.39Å; F43-F146 HydrophobicContact CG-CE2 4.44Å; F43-F146 HydrophobicContact CG-CZ 4.13Å; F43-I147 PolarHBondContact N-O 3.43Å; F43-T149 PolarHBondContact O-N 2.78Å; F43-T149 PolarHBondContact O-OG1 2.79Å; F43-T149 VanDerWaalsContact O-OG1 3.07Å; F43-F152 HydrophobicContact CE1-CB 4.31Å; F43-F152 HydrophobicContact CE1-CD2 4Å; F43-T155 HydrophobicContact CD1-CG2 4.18Å; F43-T155 HydrophobicContact CD2-CG2 4.38Å; F43-T155 HydrophobicContact CE1-CG2 3.92Å; F43-T155 HydrophobicContact CE2-CG2 4.14Å; F43-T155 HydrophobicContact CG-CG2 4.4Å; F43-T155 HydrophobicContact CZ-CG2 3.9Å
44	H	97.4	Very high	89.3	Confident	3 Å²	3	35.5 Å²	35.5	1%	0.014	23%	0.227	C	C	.	.			trans	-151.5	73.3	179.8	-144.7	110.3	0	0	0	111.9	F42 N46 C47 G53 E54 L57 V74 Y75 T149 T150	F42-H44 PolarHBondContact O-N 3.49Å; H44-N46 PolarHBondContact O-N 3.33Å; H44-C47 HydrophobicContact CB-CB 4.37Å; H44-C47 WeakPolarHBondContact O-CB 3.47Å; H44-C47 PolarHBondContact O-N 3.36Å; H44-G53 VanDerWaalsContact CE1-C 3.47Å; H44-G53 PolarHBondContact CE1-O 2.97Å; H44-E54 IonicContact NE2-OE1 3.18Å; H44-E54 PolarHBondContact NE2-OE1 2.85Å; H44-L57 HydrophobicContact CB-CD1 4.14Å; H44-L57 HydrophobicContact CB-CD2 3.71Å; H44-L57 HydrophobicContact CB-CG 4.44Å; H44-V74 HydrophobicContact CB-CG1 4.38Å; H44-Y75 CarbonylContact C-O 3.56Å; H44-Y75 PolarHBondContact N-O 3Å; H44-T149 PolarHBondContact CE1-O 3.15Å; H44-T149 PolarHBondContact ND1-OG1 3.31Å; H44-T150 HydrophobicContact CB-CG2 4.14Å
45	P	96.2	Very high	90.7	Very high	4 Å²	4	32.4 Å²	32.4	3%	0.026	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-40.2	-175.2	-32.3	37.7	0	0	0	114.5	F43 C47 S77 C110 L113	F43-P45 HydrophobicContact CD1-CG 4.27Å; F43-P45 HydrophobicContact CE1-CG 3.61Å; F43-P45 HydrophobicContact CE2-CG 4.29Å; F43-P45 HydrophobicContact CZ-CG 3.63Å; P45-C47 PolarHBondContact O-N 3.38Å; P45-S77 PolarHBondContact O-N 3Å; P45-S77 PolarHBondContact O-OG 3.49Å; P45-C110 HydrophobicContact CB-CB 4.24Å; P45-L113 HydrophobicContact CG-CD1 3.93Å
46	N	93	Very high	92.1	Very high	99 Å²	99	25.7 Å²	25.7	53%	0.529	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	32.5	-177.7	-62.4	-41.6	0	0	0	113.4	H44 N48 A49 E54	H44-N46 PolarHBondContact O-N 3.33Å; N46-N48 PolarHBondContact O-N 2.95Å; N46-A49 HydrophobicContact CB-CB 4.12Å; N46-A49 VanDerWaalsContact O-CB 3.28Å; N46-A49 WeakPolarHBondContact O-CB 3.45Å; N46-A49 PolarHBondContact O-N 3.32Å; N46-E54 WeakPolarHBondContact O-CG 3.4Å
47	C	94.1	Very high	92.7	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.007	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-18.3	-173.5	64.7	0	0	0	0	115.6	H44 P45 E54 L57 W58 V74 S76	H44-C47 HydrophobicContact CB-CB 4.37Å; H44-C47 WeakPolarHBondContact O-CB 3.47Å; H44-C47 PolarHBondContact O-N 3.36Å; P45-C47 PolarHBondContact O-N 3.38Å; C47-E54 WeakPolarHBondContact O-CG 3.44Å; C47-L57 HydrophobicContact CB-CD2 3.57Å; C47-W58 HydrophobicContact CB-CZ2 4.04Å; C47-W58 PolarHBondContact O-NE1 3.45Å; C47-W58 VanDerWaalsContact O-NE1 3.16Å; C47-V74 HydrophobicContact CB-CG1 4.07Å; C47-S76 PolarHBondContact SG-OG 3.13Å; C47-S76 VanDerWaalsContact SG-OG 3.36Å
48	N	93.3	Very high	93.2	Very high	30 Å²	30	19.8 Å²	19.8	16%	0.16	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	12.3	177.5	-162.1	28.2	0	0	0	114.1	N46 V78 I86 N89 R93	N46-N48 PolarHBondContact O-N 2.95Å; N48-V78 HydrophobicContact CB-CG1 4.48Å; N48-V78 HydrophobicContact CB-CG2 3.79Å; N48-I86 HydrophobicContact CB-CG1 4.47Å; N48-I86 HydrophobicContact CB-CG2 4.3Å; N48-N89 VanDerWaalsContact OD1-CB 3.32Å; N48-N89 WeakPolarHBondContact OD1-CB 3.28Å; N48-N89 PolarHBondContact OD1-ND2 3.17Å; N48-R93 PolarHBondContact O-NH1 3.47Å
49	A	87.1	Confident	93.4	Very high	38 Å²	38	18.4 Å²	18.4	31%	0.314	12%	0.116	S	C	.	.	S	Bend	trans	-82.1	-13.4	-177.6	0	0	0	0	0	114.7	N46 G51 E54 R321	N46-A49 HydrophobicContact CB-CB 4.12Å; N46-A49 VanDerWaalsContact O-CB 3.28Å; N46-A49 WeakPolarHBondContact O-CB 3.45Å; N46-A49 PolarHBondContact O-N 3.32Å; A49-G51 PolarHBondContact O-N 3.47Å; A49-E54 HydrophobicContact CB-CG 4.4Å; A49-R321 PolarHBondContact O-NH2 2.92Å
50	G	82.2	Confident	93.6	Very high	22 Å²	22	14.7 Å²	14.7	23%	0.227	10%	0.102	C	C	.	.			trans	71.5	22	169.4	0	0	0	0	0	115.9
51	G	82.2	Confident	93.6	Very high	13 Å²	13	14.7 Å²	14.7	13%	0.134	10%	0.102	C	C	.	.	S	Bend	trans	-92.5	-172.6	172.9	0	0	0	0	0	113.4	A49 G53 E54 R55 F94	A49-G51 PolarHBondContact O-N 3.47Å; G51-G53 VanDerWaalsContact C-N 3.27Å; G51-G53 PolarHBondContact O-N 3.43Å; G51-E54 VanDerWaalsContact C-OE2 3.28Å; G51-E54 WeakPolarHBondContact CA-OE2 3.35Å; G51-E54 PolarHBondContact N-OE2 2.93Å; G51-E54 PolarHBondContact O-N 3.24Å; G51-R55 PolarHBondContact O-N 3.28Å; G51-R55 VanDerWaalsContact O-N 3.11Å; G51-F94 VanDerWaalsContact O-CZ 3.27Å; G51-F94 WeakPolarHBondContact O-CZ 3.27Å
52	G	83.9	Confident	93.6	Very high	32 Å²	32	14.8 Å²	14.8	33%	0.33	10%	0.102	S	C	.	.	H	α-helix	trans	-66.2	-26	179.5	0	0	0	0	0	114.2	V56	G52-V56 PolarHBondContact O-N 2.97Å
53	G	90.1	Very high	93.5	Very high	18 Å²	18	14.9 Å²	14.9	19%	0.186	10%	0.103	C	C	.	.	H	α-helix	trans	-67.9	-46.3	174.1	0	0	0	0	0	112.2	H44 G51 R55 V56 L57	H44-G53 VanDerWaalsContact CE1-C 3.47Å; H44-G53 PolarHBondContact CE1-O 2.97Å; G51-G53 VanDerWaalsContact C-N 3.27Å; G51-G53 PolarHBondContact O-N 3.43Å; G53-R55 VanDerWaalsContact C-N 3.28Å; G53-R55 PolarHBondContact O-N 2.94Å; G53-V56 WeakPolarHBondContact O-CB 3.22Å; G53-V56 PolarHBondContact O-N 2.68Å; G53-L57 PolarHBondContact O-N 2.87Å
54	E	93.4	Very high	93.5	Very high	20 Å²	20	14.9 Å²	14.9	9%	0.093	10%	0.103	C	C	.	.	H	α-helix	trans	-65.2	-36.9	177.4	-63.8	71.7	-155.1	0	0	110.4	H44 N46 C47 A49 G51 V56 L57 W58 F94	H44-E54 IonicContact NE2-OE1 3.18Å; H44-E54 PolarHBondContact NE2-OE1 2.85Å; N46-E54 WeakPolarHBondContact O-CG 3.4Å; C47-E54 WeakPolarHBondContact O-CG 3.44Å; A49-E54 HydrophobicContact CB-CG 4.4Å; G51-E54 VanDerWaalsContact C-OE2 3.28Å; G51-E54 WeakPolarHBondContact CA-OE2 3.35Å; G51-E54 PolarHBondContact N-OE2 2.93Å; G51-E54 PolarHBondContact O-N 3.24Å; E54-V56 VanDerWaalsContact C-N 3.34Å; E54-V56 PolarHBondContact O-N 3.39Å; E54-L57 WeakPolarHBondContact O-CB 3.4Å; E54-L57 PolarHBondContact O-N 2.94Å; E54-W58 PolarHBondContact O-N 2.89Å; E54-F94 HydrophobicContact CB-CE2 3.98Å; E54-F94 HydrophobicContact CB-CZ 4.02Å
55	R	92.9	Very high	93.4	Very high	24 Å²	24	14.8 Å²	14.8	9%	0.091	10%	0.102	C	C	.	.	H	α-helix	trans	-57.2	-45.7	172.8	-170.8	-177.8	174.2	123.1	31.3	112.5	G51 G53 W58 C59 F94 P256 D258	G51-R55 PolarHBondContact O-N 3.28Å; G51-R55 VanDerWaalsContact O-N 3.11Å; G53-R55 VanDerWaalsContact C-N 3.28Å; G53-R55 PolarHBondContact O-N 2.94Å; R55-W58 PolarHBondContact O-N 3.41Å; R55-C59 WeakPolarHBondContact O-CB 3.49Å; R55-C59 PolarHBondContact O-N 2.86Å; R55-C59 PolarHBondContact O-SG 2.92Å; R55-C59 VanDerWaalsContact O-SG 3.38Å; R55-F94 HydrophobicContact CB-CD1 3.89Å; R55-F94 HydrophobicContact CB-CE1 3.71Å; R55-F94 HydrophobicContact CB-CE2 4.46Å; R55-F94 HydrophobicContact CB-CG 4.33Å; R55-F94 HydrophobicContact CB-CZ 3.99Å; R55-F94 HydrophobicContact CG-CD1 3.91Å; R55-F94 HydrophobicContact CG-CE1 4.24Å; R55-F94 HydrophobicContact CG-CG 4.25Å; R55-P256 WeakPolarHBondContact CD-O 3.44Å; R55-P256 HydrophobicContact CG-CG 4.29Å; R55-P256 PolarHBondContact NE-O 2.93Å; R55-D258 VanDerWaalsContact CZ-N 3.27Å
56	V	96	Very high	93.4	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.012	13%	0.127	C	C	.	.	H	α-helix	trans	-59.5	-46.2	175.5	163.8	0	0	0	0	111.1	G52 G53 E54 W58 C59 A60 Y170 H172 P255 P256 F454	G52-V56 PolarHBondContact O-N 2.97Å; G53-V56 WeakPolarHBondContact O-CB 3.22Å; G53-V56 PolarHBondContact O-N 2.68Å; E54-V56 VanDerWaalsContact C-N 3.34Å; E54-V56 PolarHBondContact O-N 3.39Å; V56-W58 PolarHBondContact O-N 3.48Å; V56-C59 PolarHBondContact O-N 3.41Å; V56-A60 VanDerWaalsContact O-CB 3.3Å; V56-A60 WeakPolarHBondContact O-CB 3.31Å; V56-A60 PolarHBondContact O-N 2.92Å; V56-Y170 HydrophobicContact CB-CE1 4.43Å; V56-Y170 HydrophobicContact CG1-CD1 3.65Å; V56-Y170 HydrophobicContact CG1-CD2 4.18Å; V56-Y170 HydrophobicContact CG1-CE1 3.86Å; V56-Y170 HydrophobicContact CG1-CE2 4.38Å; V56-Y170 HydrophobicContact CG1-CG 3.82Å; V56-Y170 HydrophobicContact CG2-CD1 4.43Å; V56-Y170 HydrophobicContact CG2-CE1 3.84Å; V56-H172 VanDerWaalsContact CG2-CE1 3.5Å; V56-H172 WeakPolarHBondContact CG2-CE1 3.41Å; V56-P255 HydrophobicContact CG2-CB 4.08Å; V56-P256 VanDerWaalsContact CG2-CD 3.47Å; V56-P256 HydrophobicContact CG2-CG 4.22Å; V56-F454 HydrophobicContact CG1-CE2 4.11Å; V56-F454 HydrophobicContact CG1-CZ 3.89Å; V56-F454 HydrophobicContact CG2-CE2 4.46Å
57	L	97.8	Very high	93.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-54.4	-54	176.2	170	72.3	0	0	0	111.1	F42 H44 C47 G53 E54 A60 I61 V74	F42-L57 HydrophobicContact CB-CD1 3.43Å; F42-L57 VanDerWaalsContact CB-CD1 3.43Å; F42-L57 HydrophobicContact CD1-CD1 3.72Å; F42-L57 HydrophobicContact CD2-CD1 4.41Å; F42-L57 HydrophobicContact CG-CD1 3.61Å; H44-L57 HydrophobicContact CB-CD1 4.14Å; H44-L57 HydrophobicContact CB-CD2 3.71Å; H44-L57 HydrophobicContact CB-CG 4.44Å; C47-L57 HydrophobicContact CB-CD2 3.57Å; G53-L57 PolarHBondContact O-N 2.87Å; E54-L57 WeakPolarHBondContact O-CB 3.4Å; E54-L57 PolarHBondContact O-N 2.94Å; L57-A60 WeakPolarHBondContact O-CB 3.49Å; L57-A60 PolarHBondContact O-N 3.35Å; L57-I61 HydrophobicContact CD1-CD1 3.8Å; L57-I61 HydrophobicContact CD1-CG1 4.38Å; L57-I61 HydrophobicContact CG-CD1 3.97Å; L57-I61 WeakPolarHBondContact O-CG1 3.37Å; L57-I61 PolarHBondContact O-N 3.4Å; L57-V74 HydrophobicContact CD2-CG1 4.37Å
58	W	97.4	Very high	93.4	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.008	15%	0.145	C	C	.	.	H	α-helix	trans	-68.5	-37.8	-174.6	-63.9	120.1	0	0	0	112.2	C47 E54 R55 V56 A60 I61 N62 I86 A90 F94 I96 L98 V102 F104	C47-W58 HydrophobicContact CB-CZ2 4.04Å; C47-W58 PolarHBondContact O-NE1 3.45Å; C47-W58 VanDerWaalsContact O-NE1 3.16Å; E54-W58 PolarHBondContact O-N 2.89Å; R55-W58 PolarHBondContact O-N 3.41Å; V56-W58 PolarHBondContact O-N 3.48Å; W58-A60 VanDerWaalsContact C-N 3.35Å; W58-I61 HydrophobicContact CE3-CD1 3.93Å; W58-I61 HydrophobicContact CZ3-CD1 3.9Å; W58-I61 PolarHBondContact O-N 3.47Å; W58-N62 WeakPolarHBondContact O-CB 3.3Å; W58-N62 PolarHBondContact O-N 3.21Å; W58-I86 HydrophobicContact CH2-CG2 3.94Å; W58-I86 HydrophobicContact CZ2-CG2 3.73Å; W58-A90 HydrophobicContact CD2-CB 3.71Å; W58-A90 HydrophobicContact CE3-CB 4.41Å; W58-A90 HydrophobicContact CG-CB 3.79Å; W58-A90 HydrophobicContact CZ2-CB 4.21Å; W58-F94 AromaticContact CD1-CD2 3.73Å; W58-F94 AromaticContact CD1-CE2 3.64Å; W58-I96 HydrophobicContact CB-CD1 3.71Å; W58-I96 HydrophobicContact CB-CG2 4.47Å; W58-L98 HydrophobicContact CE3-CD1 3.89Å; W58-L98 HydrophobicContact CZ3-CD1 3.92Å; W58-V102 HydrophobicContact CZ3-CG2 4.46Å; W58-F104 HydrophobicContact CH2-CE1 4Å; W58-F104 AromaticContact CH2-CZ 3.8Å; W58-F104 HydrophobicContact CH2-CZ 3.8Å
59	C	97.5	Very high	93.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.9	-38.9	172.2	-72.9	0	0	0	0	112	R55 V56 A63 I96 P256 F454	R55-C59 WeakPolarHBondContact O-CB 3.49Å; R55-C59 PolarHBondContact O-N 2.86Å; R55-C59 PolarHBondContact O-SG 2.92Å; R55-C59 VanDerWaalsContact O-SG 3.38Å; V56-C59 PolarHBondContact O-N 3.41Å; C59-A63 WeakPolarHBondContact O-CB 3.4Å; C59-A63 PolarHBondContact O-N 3.06Å; C59-I96 WeakPolarHBondContact SG-CD1 3.14Å; C59-P256 HydrophobicContact CB-CB 4.21Å; C59-P256 HydrophobicContact CB-CG 3.8Å; C59-P256 VanDerWaalsContact SG-CG 3.57Å; C59-F454 HydrophobicContact CB-CD1 3.84Å; C59-F454 HydrophobicContact CB-CE1 3.57Å
60	A	98.2	Very high	93.8	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.008	13%	0.132	C	C	.	.	H	α-helix	trans	-65.7	-45.2	177.6	0	0	0	0	0	111.9	F42 V56 L57 W58 A63 L64 F454 F458	F42-A60 HydrophobicContact CE1-CB 3.89Å; F42-A60 HydrophobicContact CZ-CB 4.17Å; V56-A60 VanDerWaalsContact O-CB 3.3Å; V56-A60 WeakPolarHBondContact O-CB 3.31Å; V56-A60 PolarHBondContact O-N 2.92Å; L57-A60 WeakPolarHBondContact O-CB 3.49Å; L57-A60 PolarHBondContact O-N 3.35Å; W58-A60 VanDerWaalsContact C-N 3.35Å; A60-A63 PolarHBondContact O-N 3.35Å; A60-L64 WeakPolarHBondContact O-CG 3.37Å; A60-L64 PolarHBondContact O-N 3.15Å; A60-F454 HydrophobicContact CB-CE1 4.38Å; A60-F454 HydrophobicContact CB-CZ 4.3Å; A60-F458 HydrophobicContact CB-CD1 4.32Å; A60-F458 HydrophobicContact CB-CD2 4.14Å; A60-F458 HydrophobicContact CB-CE1 3.96Å; A60-F458 HydrophobicContact CB-CE2 3.75Å; A60-F458 HydrophobicContact CB-CG 4.42Å; A60-F458 HydrophobicContact CB-CZ 3.67Å
61	I	98.3	Very high	94.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.1	-49.4	174.9	-70	171.2	0	0	0	110.2	F42 L57 W58 A63 L64 Q65 C72 V74 L98 V102	F42-I61 HydrophobicContact CD2-CD1 4.27Å; F42-I61 HydrophobicContact CD2-CG1 3.89Å; F42-I61 HydrophobicContact CE2-CD1 4.5Å; F42-I61 HydrophobicContact CE2-CG1 3.64Å; F42-I61 HydrophobicContact CZ-CG1 4.07Å; L57-I61 HydrophobicContact CD1-CD1 3.8Å; L57-I61 HydrophobicContact CD1-CG1 4.38Å; L57-I61 HydrophobicContact CG-CD1 3.97Å; L57-I61 WeakPolarHBondContact O-CG1 3.37Å; L57-I61 PolarHBondContact O-N 3.4Å; W58-I61 HydrophobicContact CE3-CD1 3.93Å; W58-I61 HydrophobicContact CZ3-CD1 3.9Å; W58-I61 PolarHBondContact O-N 3.47Å; I61-A63 VanDerWaalsContact C-N 3.3Å; I61-A63 PolarHBondContact O-N 3.44Å; I61-L64 PolarHBondContact O-N 2.83Å; I61-L64 VanDerWaalsContact O-N 3.11Å; I61-Q65 HydrophobicContact CG2-CG 4.13Å; I61-Q65 WeakPolarHBondContact O-CG 3.42Å; I61-Q65 PolarHBondContact O-N 3.13Å; I61-C72 HydrophobicContact CG1-CB 4.41Å; I61-C72 HydrophobicContact CG2-CB 4.05Å; I61-V74 HydrophobicContact CD1-CG2 3.65Å; I61-L98 HydrophobicContact CG2-CD1 4.32Å; I61-L98 HydrophobicContact CG2-CD2 4.11Å; I61-V102 HydrophobicContact CG2-CG2 3.84Å
62	N	97.4	Very high	95.2	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.011	13%	0.129	C	C	.	.	H	α-helix	trans	-57.2	-42.2	178.7	-179.2	50.8	0	0	0	112.3	W58 L64 Q65 R66 I96 S97 L98 E455	W58-N62 WeakPolarHBondContact O-CB 3.3Å; W58-N62 PolarHBondContact O-N 3.21Å; N62-L64 VanDerWaalsContact C-N 3.33Å; N62-L64 PolarHBondContact O-N 3.38Å; N62-Q65 PolarHBondContact O-N 3.49Å; N62-R66 PolarHBondContact ND2-NE 3.28Å; N62-R66 PolarHBondContact ND2-NH1 3.09Å; N62-R66 PolarHBondContact ND2-NH2 3.45Å; N62-R66 WeakPolarHBondContact O-CB 3.38Å; N62-R66 VanDerWaalsContact O-CG 3.31Å; N62-R66 WeakPolarHBondContact O-CG 3.4Å; N62-R66 PolarHBondContact O-N 3.07Å; N62-R66 PolarHBondContact OD1-NE 3.2Å; N62-I96 HydrophobicContact CB-CG2 3.68Å; N62-S97 PolarHBondContact OD1-O 3.15Å; N62-L98 HydrophobicContact CB-CD2 3.83Å; N62-E455 PolarHBondContact ND2-OE1 3.28Å
63	A	97.4	Very high	95.9	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.008	12%	0.12	C	C	.	.	H	α-helix	trans	-60	-41.9	176.1	0	0	0	0	0	112.5	C59 A60 I61 E455 F458 L459	C59-A63 WeakPolarHBondContact O-CB 3.4Å; C59-A63 PolarHBondContact O-N 3.06Å; A60-A63 PolarHBondContact O-N 3.35Å; I61-A63 VanDerWaalsContact C-N 3.3Å; I61-A63 PolarHBondContact O-N 3.44Å; A63-E455 HydrophobicContact CB-CB 3.83Å; A63-E455 HydrophobicContact CB-CG 3.87Å; A63-F458 HydrophobicContact CB-CD1 4.42Å; A63-L459 HydrophobicContact CB-CD1 4Å; A63-L459 HydrophobicContact CB-CD2 4.13Å; A63-L459 HydrophobicContact CB-CG 3.91Å
64	L	97.6	Very high	96.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-68.9	-44.6	177.4	-67.2	170.1	0	0	0	111.9	V40 F42 A60 I61 N62 R67 S68 I69 A70 F458 L459 F462	V40-L64 HydrophobicContact CG1-CD1 4.3Å; F42-L64 HydrophobicContact CE2-CD1 4.06Å; F42-L64 HydrophobicContact CZ-CD1 3.8Å; A60-L64 WeakPolarHBondContact O-CG 3.37Å; A60-L64 PolarHBondContact O-N 3.15Å; I61-L64 PolarHBondContact O-N 2.83Å; I61-L64 VanDerWaalsContact O-N 3.11Å; N62-L64 VanDerWaalsContact C-N 3.33Å; N62-L64 PolarHBondContact O-N 3.38Å; L64-R67 PolarHBondContact O-N 3.34Å; L64-S68 PolarHBondContact O-N 3.05Å; L64-I69 HydrophobicContact CD2-CB 4.23Å; L64-I69 HydrophobicContact CD2-CG2 3.94Å; L64-I69 PolarHBondContact O-N 2.91Å; L64-A70 HydrophobicContact CB-CB 4.49Å; L64-A70 HydrophobicContact CD1-CB 4.42Å; L64-F458 HydrophobicContact CD1-CE1 4.11Å; L64-F458 HydrophobicContact CD1-CZ 4.44Å; L64-F458 HydrophobicContact CD2-CE1 4.14Å; L64-F458 HydrophobicContact CG-CE1 3.93Å; L64-L459 HydrophobicContact CD2-CD2 3.84Å; L64-L459 HydrophobicContact CG-CD2 4.46Å; L64-F462 HydrophobicContact CD1-CE2 4.48Å; L64-F462 HydrophobicContact CD2-CD1 3.71Å; L64-F462 HydrophobicContact CD2-CD2 4.21Å; L64-F462 HydrophobicContact CD2-CE1 3.7Å; L64-F462 HydrophobicContact CD2-CE2 4.19Å; L64-F462 HydrophobicContact CD2-CG 3.98Å; L64-F462 HydrophobicContact CD2-CZ 3.95Å
65	Q	96.5	Very high	96.5	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-70.4	-39.3	-176.1	-71.3	-172.5	-17.7	0	0	113.1	I61 N62 R67 S68 S99 E100	I61-Q65 HydrophobicContact CG2-CG 4.13Å; I61-Q65 WeakPolarHBondContact O-CG 3.42Å; I61-Q65 PolarHBondContact O-N 3.13Å; N62-Q65 PolarHBondContact O-N 3.49Å; Q65-R67 PolarHBondContact O-N 3Å; Q65-R67 VanDerWaalsContact O-N 3.08Å; Q65-S68 PolarHBondContact O-N 3.45Å; Q65-S99 WeakPolarHBondContact CB-OG 3.37Å; Q65-S99 PolarHBondContact O-OG 3.28Å; Q65-E100 HydrophobicContact CB-CB 4.36Å; Q65-E100 HydrophobicContact CB-CG 4.33Å; Q65-E100 HydrophobicContact CG-CB 4.03Å; Q65-E100 HydrophobicContact CG-CG 4.47Å; Q65-E100 PolarHBondContact NE2-O 3.12Å; Q65-E100 PolarHBondContact OE1-O 3.05Å
66	R	95.4	Very high	96.7	Very high	143 Å²	143	22.6 Å²	22.6	54%	0.54	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-25.2	176.8	-79.6	178.2	177.4	162.9	-1.7	113.5	N62 E455	N62-R66 PolarHBondContact ND2-NE 3.28Å; N62-R66 PolarHBondContact ND2-NH1 3.09Å; N62-R66 PolarHBondContact ND2-NH2 3.45Å; N62-R66 WeakPolarHBondContact O-CB 3.38Å; N62-R66 VanDerWaalsContact O-CG 3.31Å; N62-R66 WeakPolarHBondContact O-CG 3.4Å; N62-R66 PolarHBondContact O-N 3.07Å; N62-R66 PolarHBondContact OD1-NE 3.2Å; R66-E455 IonicContact NH1-OE1 3.79Å; R66-E455 PolarHBondContact NH1-OE1 3.38Å; R66-E455 IonicContact NH1-OE2 3.37Å; R66-E455 PolarHBondContact NH1-OE2 3.29Å
67	R	94	Very high	96.6	Very high	126 Å²	126	24 Å²	24	48%	0.475	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	7.3	177.7	-60.2	-169.3	-172.1	179.7	6.4	112.6	L64 Q65 I69 N456	L64-R67 PolarHBondContact O-N 3.34Å; Q65-R67 PolarHBondContact O-N 3Å; Q65-R67 VanDerWaalsContact O-N 3.08Å; R67-I69 HydrophobicContact CB-CD1 3.55Å; R67-I69 HydrophobicContact CB-CG1 3.67Å; R67-I69 HydrophobicContact CG-CD1 4.33Å; R67-I69 PolarHBondContact O-N 2.98Å; R67-I69 VanDerWaalsContact O-N 3.13Å; R67-N456 PolarHBondContact NH2-OD1 2.93Å
68	S	93.8	Very high	96.2	Very high	64 Å²	64	25.3 Å²	25.3	45%	0.448	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	40.3	-175.8	-66.9	0	0	0	0	113.2	K37 L64 Q65 E100	K37-S68 WeakPolarHBondContact CE-O 3.48Å; L64-S68 PolarHBondContact O-N 3.05Å; Q65-S68 PolarHBondContact O-N 3.45Å; S68-E100 WeakPolarHBondContact CA-OE1 3.24Å; S68-E100 WeakPolarHBondContact CB-OE1 3.41Å; S68-E100 PolarHBondContact OG-OE1 3.48Å
69	I	93	Very high	95.7	Very high	39 Å²	39	30.8 Å²	30.8	20%	0.2	15%	0.145	C	C	.	.			trans	-79.9	-31.6	-173.8	-71.6	168.6	0	0	0	112.1	P38 L64 R67 L459 F462	P38-I69 WeakPolarHBondContact CD-O 3.36Å; P38-I69 WeakPolarHBondContact CG-O 3.29Å; L64-I69 HydrophobicContact CD2-CB 4.23Å; L64-I69 HydrophobicContact CD2-CG2 3.94Å; L64-I69 PolarHBondContact O-N 2.91Å; R67-I69 HydrophobicContact CB-CD1 3.55Å; R67-I69 HydrophobicContact CB-CG1 3.67Å; R67-I69 HydrophobicContact CG-CD1 4.33Å; R67-I69 PolarHBondContact O-N 2.98Å; R67-I69 VanDerWaalsContact O-N 3.13Å; I69-L459 HydrophobicContact CD1-CD2 3.73Å; I69-F462 HydrophobicContact CG2-CD1 4.14Å; I69-F462 HydrophobicContact CG2-CE1 3.57Å
70	A	95	Very high	95.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.185	C	C	.	.			trans	-154.2	149.3	-169.9	0	0	0	0	0	112.9	P38 V40 L64	P38-A70 HydrophobicContact CG-CB 4.23Å; P38-A70 WeakPolarHBondContact O-CA 3.33Å; P38-A70 WeakPolarHBondContact O-CB 3.42Å; V40-A70 HydrophobicContact CB-CB 4.16Å; V40-A70 HydrophobicContact CG2-CB 3.42Å; V40-A70 VanDerWaalsContact CG2-CB 3.42Å; L64-A70 HydrophobicContact CB-CB 4.49Å; L64-A70 HydrophobicContact CD1-CB 4.42Å
71	D	95.6	Very high	94.6	Very high	53 Å²	53	40 Å²	40	28%	0.283	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	120.5	165.6	-66.2	-30.3	0	0	0	108.8	K37 P38 V40 Y73	K37-D71 WeakPolarHBondContact CD-OD1 3.46Å; P38-D71 PolarHBondContact O-N 3.34Å; V40-D71 PolarHBondContact N-O 2.85Å; D71-Y73 HydrophobicContact CB-CE2 4.07Å
72	C	97.9	Very high	94.4	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.007	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	127.7	-170.5	-66.1	0	0	0	0	112.3	V40 I61 H103	V40-C72 WeakPolarHBondContact O-CA 3.44Å; I61-C72 HydrophobicContact CG1-CB 4.41Å; I61-C72 HydrophobicContact CG2-CB 4.05Å; C72-H103 PolarHBondContact O-N 2.93Å
73	Y	98.2	Very high	94.2	Very high	39 Å²	39	44.4 Å²	44.4	15%	0.153	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	145.6	175.6	-66.6	-107.3	0	0	0	109.8	R39 V40 A41 F42 D71 H103 V105 F141	R39-Y73 HydrophobicContact CB-CD2 4.39Å; R39-Y73 HydrophobicContact CB-CE2 4.07Å; R39-Y73 HydrophobicContact CG-CE2 4.16Å; V40-Y73 PolarHBondContact O-N 3.02Å; A41-Y73 CarbonylContact C-O 3.57Å; A41-Y73 WeakPolarHBondContact CA-O 3.4Å; F42-Y73 PolarHBondContact N-O 3.44Å; D71-Y73 HydrophobicContact CB-CE2 4.07Å; Y73-H103 CarbonylContact C-O 3.28Å; Y73-H103 WeakPolarHBondContact CA-O 3.19Å; Y73-H103 HydrophobicContact CD1-CB 3.36Å; Y73-H103 HydrophobicContact CD2-CB 4.48Å; Y73-H103 HydrophobicContact CE1-CB 3.48Å; Y73-H103 VanDerWaalsContact CE1-CB 3.48Å; Y73-H103 AromaticContact CE1-CG 3.76Å; Y73-H103 HydrophobicContact CG-CB 3.9Å; Y73-H103 AromaticContact CZ-CD2 3.95Å; Y73-H103 AromaticContact CZ-CG 3.95Å; Y73-V105 HydrophobicContact CD1-CG2 4.23Å; Y73-F141 HydrophobicContact CD1-CD1 4.01Å; Y73-F141 HydrophobicContact CD1-CD2 4.11Å; Y73-F141 AromaticContact CD1-CE1 3.6Å; Y73-F141 HydrophobicContact CD1-CE1 3.6Å; Y73-F141 AromaticContact CD1-CE2 3.72Å; Y73-F141 HydrophobicContact CD1-CE2 3.72Å; Y73-F141 HydrophobicContact CD1-CG 4.25Å; Y73-F141 AromaticContact CD1-CZ 3.44Å; Y73-F141 HydrophobicContact CD1-CZ 3.44Å; Y73-F141 VanDerWaalsContact CD1-CZ 3.44Å; Y73-F141 AromaticContact CD2-CE1 3.72Å; Y73-F141 HydrophobicContact CD2-CE1 3.72Å; Y73-F141 AromaticContact CD2-CZ 3.57Å; Y73-F141 HydrophobicContact CD2-CZ 3.57Å; Y73-F141 HydrophobicContact CE1-CD2 4.04Å; Y73-F141 HydrophobicContact CE1-CE1 4.06Å; Y73-F141 AromaticContact CE1-CE2 3.38Å; Y73-F141 HydrophobicContact CE1-CE2 3.38Å; Y73-F141 AromaticContact CE1-CZ 3.39Å; Y73-F141 HydrophobicContact CE1-CZ 3.39Å; Y73-F141 HydrophobicContact CE2-CE1 4.19Å; Y73-F141 HydrophobicContact CE2-CE2 4.27Å; Y73-F141 AromaticContact CE2-CZ 3.55Å; Y73-F141 HydrophobicContact CE2-CZ 3.55Å; Y73-F141 HydrophobicContact CG-CD1 4.1Å; Y73-F141 AromaticContact CG-CE1 3.42Å; Y73-F141 HydrophobicContact CG-CE1 3.42Å; Y73-F141 VanDerWaalsContact CG-CE1 3.42Å; Y73-F141 HydrophobicContact CG-CE2 4.3Å; Y73-F141 AromaticContact CG-CZ 3.55Å; Y73-F141 HydrophobicContact CG-CZ 3.55Å; Y73-F141 AromaticContact CZ-CE2 3.7Å; Y73-F141 AromaticContact CZ-CZ 3.46Å; Y73-F141 VanDerWaalsContact CZ-CZ 3.46Å
74	V	98.5	Very high	94	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	119	176.6	-178.1	0	0	0	0	109.3	F42 H44 C47 L57 I61 S76 V102 H103 F104 V105	F42-V74 WeakPolarHBondContact O-CA 3.29Å; H44-V74 HydrophobicContact CB-CG1 4.38Å; C47-V74 HydrophobicContact CB-CG1 4.07Å; L57-V74 HydrophobicContact CD2-CG1 4.37Å; I61-V74 HydrophobicContact CD1-CG2 3.65Å; V74-S76 PolarHBondContact O-N 2.94Å; V74-V102 HydrophobicContact CB-CG1 4.46Å; V74-V102 HydrophobicContact CG2-CG1 3.64Å; V74-H103 PolarHBondContact N-O 2.93Å; V74-F104 HydrophobicContact CB-CD1 4.04Å; V74-F104 HydrophobicContact CB-CE1 4.19Å; V74-F104 HydrophobicContact CG1-CD1 4.41Å; V74-F104 HydrophobicContact CG1-CE1 4.43Å; V74-F104 WeakPolarHBondContact O-CA 3.37Å; V74-V105 PolarHBondContact O-N 3.36Å
75	Y	98.4	Very high	93.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	116.7	167.1	-62.9	-71.2	0	0	0	109.3	A41 F42 F43 H44 V105 L107 A137 F141 F146 F159	A41-Y75 HydrophobicContact CB-CD2 4.15Å; A41-Y75 HydrophobicContact CB-CE2 3.44Å; A41-Y75 VanDerWaalsContact CB-CE2 3.44Å; F42-Y75 PolarHBondContact O-N 3.16Å; F43-Y75 HydrophobicContact CB-CD2 4.42Å; F43-Y75 HydrophobicContact CD2-CD2 4.16Å; F43-Y75 HydrophobicContact CD2-CG 4.27Å; H44-Y75 CarbonylContact C-O 3.56Å; H44-Y75 PolarHBondContact N-O 3Å; Y75-V105 WeakPolarHBondContact CA-O 3.23Å; Y75-V105 HydrophobicContact CD1-CB 3.63Å; Y75-V105 HydrophobicContact CD1-CG1 3.68Å; Y75-V105 HydrophobicContact CD1-CG2 4.33Å; Y75-V105 HydrophobicContact CE1-CB 3.94Å; Y75-V105 HydrophobicContact CE1-CG1 3.76Å; Y75-V105 HydrophobicContact CE1-CG2 4.24Å; Y75-L107 HydrophobicContact CD1-CD1 4.43Å; Y75-L107 HydrophobicContact CD1-CD2 4.18Å; Y75-L107 HydrophobicContact CG-CD1 4.47Å; Y75-A137 HydrophobicContact CD1-CB 3.65Å; Y75-A137 HydrophobicContact CD2-CB 4.4Å; Y75-A137 HydrophobicContact CE1-CB 3.67Å; Y75-A137 VanDerWaalsContact CE1-O 3.26Å; Y75-A137 WeakPolarHBondContact CE1-O 3.46Å; Y75-A137 HydrophobicContact CE2-CB 4.4Å; Y75-A137 HydrophobicContact CG-CB 4.04Å; Y75-F141 HydrophobicContact CE1-CB 3.94Å; Y75-F141 PolarHBondContact OH-O 2.89Å; Y75-F146 HydrophobicContact CD2-CE2 4.09Å; Y75-F146 HydrophobicContact CE2-CD2 4.02Å; Y75-F146 AromaticContact CE2-CE2 3.86Å; Y75-F146 HydrophobicContact CE2-CE2 3.86Å; Y75-F159 HydrophobicContact CE2-CE1 4.36Å; Y75-F159 AromaticContact CE2-CZ 3.83Å; Y75-F159 HydrophobicContact CE2-CZ 3.83Å; Y75-F159 AromaticContact CZ-CZ 3.75Å; Y75-F159 WeakPolarHBondContact OH-CE1 3.29Å; Y75-F159 WeakPolarHBondContact OH-CZ 3.28Å
76	S	96.2	Very high	93.8	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.007	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	150.1	-170.1	-178.4	0	0	0	0	111.6	C47 V74 V78 V105 T106 L107	C47-S76 PolarHBondContact SG-OG 3.13Å; C47-S76 VanDerWaalsContact SG-OG 3.36Å; V74-S76 PolarHBondContact O-N 2.94Å; S76-V78 WeakPolarHBondContact OG-CB 3.48Å; S76-V78 WeakPolarHBondContact OG-CG2 3.38Å; S76-V78 PolarHBondContact OG-N 2.67Å; S76-V78 VanDerWaalsContact OG-N 3.09Å; S76-V105 PolarHBondContact N-O 3.42Å; S76-T106 CarbonylContact O-C 3.46Å; S76-T106 WeakPolarHBondContact O-CA 3.4Å; S76-L107 PolarHBondContact O-N 2.82Å
77	S	94.2	Very high	93.8	Very high	31 Å²	31	49.6 Å²	49.6	22%	0.217	26%	0.259	C	S	.	.			trans	-104.4	4.8	168.8	61.4	0	0	0	0	113.5	P45 K79	P45-S77 PolarHBondContact O-N 3Å; P45-S77 PolarHBondContact O-OG 3.49Å; S77-K79 PolarHBondContact O-N 3.34Å
78	V	89.3	Confident	93.8	Very high	28 Å²	28	50.6 Å²	50.6	17%	0.17	27%	0.267	C	S	.	.			trans	-71.5	120.1	179.2	-177.8	0	0	0	0	108.8	N48 S76 C81 I86	N48-V78 HydrophobicContact CB-CG1 4.48Å; N48-V78 HydrophobicContact CB-CG2 3.79Å; S76-V78 WeakPolarHBondContact OG-CB 3.48Å; S76-V78 WeakPolarHBondContact OG-CG2 3.38Å; S76-V78 PolarHBondContact OG-N 2.67Å; S76-V78 VanDerWaalsContact OG-N 3.09Å; V78-C81 HydrophobicContact CG1-CB 3.88Å; V78-I86 HydrophobicContact CB-CD1 3.96Å; V78-I86 HydrophobicContact CG1-CD1 3.81Å; V78-I86 HydrophobicContact CG1-CG1 4.13Å
79	K	86.7	Confident	93.7	Very high	117 Å²	117	49.8 Å²	49.8	51%	0.509	26%	0.257	S	S	.	.			trans	-111	-28.5	179.1	-62	-177.2	-171.9	-178.1	0	112.9	S77 C81 T106	S77-K79 PolarHBondContact O-N 3.34Å; K79-C81 VanDerWaalsContact C-N 3.34Å; K79-C81 PolarHBondContact O-N 3.27Å; K79-T106 HydrophobicContact CG-CG2 4.43Å
80	D	86	Confident	93.7	Very high	157 Å²	157	48.1 Å²	48.1	84%	0.84	25%	0.249	S	C	*	.	S	Bend	trans	-91	7.6	-170	-48.4	-44.1	0	0	0	113.8
81	C	88.2	Confident	93.5	Very high	38 Å²	38	52.1 Å²	52.1	26%	0.257	27%	0.268	S	S	.	.	S	Bend	trans	-135.1	142.6	178.7	-57.1	0	0	0	0	110.2	V78 K79 E85 I86	V78-C81 HydrophobicContact CG1-CB 3.88Å; K79-C81 VanDerWaalsContact C-N 3.34Å; K79-C81 PolarHBondContact O-N 3.27Å; C81-E85 VanDerWaalsContact CA-OE2 3.27Å; C81-E85 WeakPolarHBondContact CA-OE2 3.01Å; C81-E85 HydrophobicContact CB-CB 4.16Å; C81-I86 HydrophobicContact CB-CG1 3.92Å
82	S	93.2	Very high	93.2	Very high	43 Å²	43	58.3 Å²	58.3	30%	0.301	29%	0.292	S	S	.	.			trans	-67.9	155.5	170.4	72.3	0	0	0	0	111.2	E84 E85 I86	S82-E84 PolarHBondContact O-N 3.02Å; S82-E85 PolarHBondContact N-OE2 3.34Å; S82-E85 WeakPolarHBondContact O-CB 3.44Å; S82-E85 PolarHBondContact O-N 3.29Å; S82-E85 VanDerWaalsContact O-N 3.09Å; S82-E85 WeakPolarHBondContact OG-CB 3.24Å; S82-E85 VanDerWaalsContact OG-CG 3.25Å; S82-E85 WeakPolarHBondContact OG-CG 3.4Å; S82-E85 PolarHBondContact OG-N 3.25Å; S82-E85 VanDerWaalsContact OG-N 3.13Å; S82-I86 WeakPolarHBondContact O-CG1 3.28Å; S82-I86 PolarHBondContact O-N 3.31Å
83	P	92.9	Very high	92.6	Very high	51 Å²	51	64.4 Å²	64.4	33%	0.331	32%	0.315	S	S	.	.	H	α-helix	trans	-47	-42.4	170.2	-33.8	40.4	0	0	0	113.9	I86 V87 F104	P83-I86 PolarHBondContact O-N 3Å; P83-V87 WeakPolarHBondContact O-CG2 3.26Å; P83-V87 PolarHBondContact O-N 2.83Å; P83-V87 VanDerWaalsContact O-N 3.16Å; P83-F104 HydrophobicContact CB-CD2 3.58Å; P83-F104 HydrophobicContact CB-CE2 3.81Å; P83-F104 HydrophobicContact CG-CD2 4.1Å
84	E	94	Very high	92.1	Very high	117 Å²	117	63.5 Å²	63.5	55%	0.547	31%	0.312	S	S	.	.	H	α-helix	trans	-67.9	-38.9	-179.6	-64.2	70.9	-154.1	0	0	111.7	S82 V87 K88	S82-E84 PolarHBondContact O-N 3.02Å; E84-V87 PolarHBondContact O-N 3.4Å; E84-K88 WeakPolarHBondContact O-CB 3.4Å; E84-K88 PolarHBondContact O-N 2.78Å
85	E	94.7	Very high	91.6	Very high	97 Å²	97	69 Å²	69	45%	0.453	34%	0.342	S	S	.	.	H	α-helix	trans	-66.3	-39.1	174.5	-75.2	170.1	167	0	0	112.2	C81 S82 V87 K88 N89	C81-E85 VanDerWaalsContact CA-OE2 3.27Å; C81-E85 WeakPolarHBondContact CA-OE2 3.01Å; C81-E85 HydrophobicContact CB-CB 4.16Å; S82-E85 PolarHBondContact N-OE2 3.34Å; S82-E85 WeakPolarHBondContact O-CB 3.44Å; S82-E85 PolarHBondContact O-N 3.29Å; S82-E85 VanDerWaalsContact O-N 3.09Å; S82-E85 WeakPolarHBondContact OG-CB 3.24Å; S82-E85 VanDerWaalsContact OG-CG 3.25Å; S82-E85 WeakPolarHBondContact OG-CG 3.4Å; S82-E85 PolarHBondContact OG-N 3.25Å; S82-E85 VanDerWaalsContact OG-N 3.13Å; E85-V87 VanDerWaalsContact C-N 3.34Å; E85-V87 PolarHBondContact O-N 3.45Å; E85-K88 PolarHBondContact O-N 2.76Å; E85-N89 WeakPolarHBondContact O-CB 3.29Å; E85-N89 PolarHBondContact O-N 3.32Å; E85-N89 PolarHBondContact O-ND2 3.25Å; E85-N89 VanDerWaalsContact O-ND2 3.12Å
86	I	94.3	Very high	91.2	Very high	5 Å²	5	69.4 Å²	69.4	3%	0.026	34%	0.344	C	S	.	.	H	α-helix	trans	-60.7	-46.5	176.1	-64	168.4	0	0	0	110.1	N48 W58 V78 C81 S82 P83 N89 A90 F104	N48-I86 HydrophobicContact CB-CG1 4.47Å; N48-I86 HydrophobicContact CB-CG2 4.3Å; W58-I86 HydrophobicContact CH2-CG2 3.94Å; W58-I86 HydrophobicContact CZ2-CG2 3.73Å; V78-I86 HydrophobicContact CB-CD1 3.96Å; V78-I86 HydrophobicContact CG1-CD1 3.81Å; V78-I86 HydrophobicContact CG1-CG1 4.13Å; C81-I86 HydrophobicContact CB-CG1 3.92Å; S82-I86 WeakPolarHBondContact O-CG1 3.28Å; S82-I86 PolarHBondContact O-N 3.31Å; P83-I86 PolarHBondContact O-N 3Å; I86-N89 PolarHBondContact O-N 3.33Å; I86-A90 PolarHBondContact O-N 3.25Å; I86-F104 HydrophobicContact CB-CE1 4.26Å; I86-F104 HydrophobicContact CB-CZ 3.94Å; I86-F104 HydrophobicContact CD1-CD1 4.16Å; I86-F104 HydrophobicContact CD1-CE1 3.96Å; I86-F104 HydrophobicContact CD1-CZ 4.27Å; I86-F104 HydrophobicContact CG2-CE1 3.72Å; I86-F104 HydrophobicContact CG2-CZ 3.67Å
87	V	95.3	Very high	91	Very high	35 Å²	35	72.5 Å²	72.5	21%	0.212	37%	0.365	C	S	.	.	H	α-helix	trans	-64.3	-44.2	177.7	173.8	0	0	0	0	111.1	P83 E84 E85 N89 A90 E91 L98 F104	P83-V87 WeakPolarHBondContact O-CG2 3.26Å; P83-V87 PolarHBondContact O-N 2.83Å; P83-V87 VanDerWaalsContact O-N 3.16Å; E84-V87 PolarHBondContact O-N 3.4Å; E85-V87 VanDerWaalsContact C-N 3.34Å; E85-V87 PolarHBondContact O-N 3.45Å; V87-N89 VanDerWaalsContact C-N 3.31Å; V87-N89 PolarHBondContact O-N 3.08Å; V87-A90 WeakPolarHBondContact O-CB 3.32Å; V87-A90 PolarHBondContact O-N 3.47Å; V87-A90 VanDerWaalsContact O-N 3.16Å; V87-E91 PolarHBondContact O-N 2.87Å; V87-L98 HydrophobicContact CG1-CB 4.41Å; V87-L98 HydrophobicContact CG1-CD1 3.92Å; V87-L98 HydrophobicContact CG1-CG 4.3Å; V87-L98 HydrophobicContact CG2-CD1 4.17Å; V87-F104 HydrophobicContact CG2-CE2 4.27Å; V87-F104 HydrophobicContact CG2-CZ 4.25Å
88	K	94.4	Very high	91.1	Very high	147 Å²	147	72.7 Å²	72.7	64%	0.639	36%	0.363	S	S	*	.	H	α-helix	trans	-62.1	-37.2	176.8	-172.1	177.9	-178.3	178.6	0	112.5	E84 E85 E91 K92	E84-K88 WeakPolarHBondContact O-CB 3.4Å; E84-K88 PolarHBondContact O-N 2.78Å; E85-K88 PolarHBondContact O-N 2.76Å; K88-E91 PolarHBondContact O-N 2.97Å; K88-K92 WeakPolarHBondContact O-CB 3.48Å; K88-K92 PolarHBondContact O-N 3.27Å
89	N	92.3	Very high	91.3	Very high	47 Å²	47	75 Å²	75	25%	0.251	38%	0.381	S	S	.	.	H	α-helix	trans	-67.1	-39.6	175	-73.7	-30	0	0	0	111.8	N48 E85 I86 V87 K92 R93	N48-N89 VanDerWaalsContact OD1-CB 3.32Å; N48-N89 WeakPolarHBondContact OD1-CB 3.28Å; N48-N89 PolarHBondContact OD1-ND2 3.17Å; E85-N89 WeakPolarHBondContact O-CB 3.29Å; E85-N89 PolarHBondContact O-N 3.32Å; E85-N89 PolarHBondContact O-ND2 3.25Å; E85-N89 VanDerWaalsContact O-ND2 3.12Å; I86-N89 PolarHBondContact O-N 3.33Å; V87-N89 VanDerWaalsContact C-N 3.31Å; V87-N89 PolarHBondContact O-N 3.08Å; N89-K92 PolarHBondContact O-N 3.45Å; N89-R93 WeakPolarHBondContact O-CB 3.38Å; N89-R93 VanDerWaalsContact O-CG 3.27Å; N89-R93 WeakPolarHBondContact O-CG 3.2Å; N89-R93 PolarHBondContact O-N 3.07Å
90	A	91.8	Very high	91.7	Very high	4 Å²	4	71.7 Å²	71.7	3%	0.033	37%	0.367	C	S	.	.	H	α-helix	trans	-62.4	-44.9	173.8	0	0	0	0	0	111.4	W58 I86 V87 R93 F94	W58-A90 HydrophobicContact CD2-CB 3.71Å; W58-A90 HydrophobicContact CE3-CB 4.41Å; W58-A90 HydrophobicContact CG-CB 3.79Å; W58-A90 HydrophobicContact CZ2-CB 4.21Å; I86-A90 PolarHBondContact O-N 3.25Å; V87-A90 WeakPolarHBondContact O-CB 3.32Å; V87-A90 PolarHBondContact O-N 3.47Å; V87-A90 VanDerWaalsContact O-N 3.16Å; A90-R93 PolarHBondContact O-N 3.04Å; A90-F94 HydrophobicContact CB-CD2 4.44Å; A90-F94 WeakPolarHBondContact O-CB 3.22Å; A90-F94 PolarHBondContact O-N 2.91Å
91	E	92.4	Very high	92.1	Very high	83 Å²	83	71.1 Å²	71.1	39%	0.388	36%	0.357	S	S	.	.	H	α-helix	trans	-60	-49.4	175.2	-176.9	173	-144.9	0	0	111.6	V87 K88 R93 N95 I96 S97	V87-E91 PolarHBondContact O-N 2.87Å; K88-E91 PolarHBondContact O-N 2.97Å; E91-R93 VanDerWaalsContact C-N 3.32Å; E91-R93 PolarHBondContact O-N 3.16Å; E91-N95 WeakPolarHBondContact O-CA 3.49Å; E91-N95 PolarHBondContact O-N 3.39Å; E91-I96 WeakPolarHBondContact CA-O 3.26Å; E91-S97 WeakPolarHBondContact OE1-CB 3.3Å; E91-S97 PolarHBondContact OE1-OG 2.81Å
92	K	89.1	Confident	92.6	Very high	183 Å²	183	69.6 Å²	69.6	80%	0.796	35%	0.347	S	S	*	.	H	α-helix	trans	-59.9	-39.6	178.8	-176.7	178.7	178.4	-179	0	113	K88 N89	K88-K92 WeakPolarHBondContact O-CB 3.48Å; K88-K92 PolarHBondContact O-N 3.27Å; N89-K92 PolarHBondContact O-N 3.45Å
93	R	84.8	Confident	92.8	Very high	130 Å²	130	70.9 Å²	70.9	49%	0.491	35%	0.348	S	S	.	.	H	α-helix	trans	-84.2	-34.8	-174.5	-71.6	177.3	178.6	170.1	1.7	113.4	N48 N89 A90 E91	N48-R93 PolarHBondContact O-NH1 3.47Å; N89-R93 WeakPolarHBondContact O-CB 3.38Å; N89-R93 VanDerWaalsContact O-CG 3.27Å; N89-R93 WeakPolarHBondContact O-CG 3.2Å; N89-R93 PolarHBondContact O-N 3.07Å; A90-R93 PolarHBondContact O-N 3.04Å; E91-R93 VanDerWaalsContact C-N 3.32Å; E91-R93 PolarHBondContact O-N 3.16Å
94	F	87.1	Confident	93	Very high	20 Å²	20	70.2 Å²	70.2	9%	0.088	34%	0.34	C	S	.	.	H	α-helix	trans	-118.2	-4.9	-170.4	-55.5	-54.1	0	0	0	114.2	G51 E54 R55 W58 A90 I96	G51-F94 VanDerWaalsContact O-CZ 3.27Å; G51-F94 WeakPolarHBondContact O-CZ 3.27Å; E54-F94 HydrophobicContact CB-CE2 3.98Å; E54-F94 HydrophobicContact CB-CZ 4.02Å; R55-F94 HydrophobicContact CB-CD1 3.89Å; R55-F94 HydrophobicContact CB-CE1 3.71Å; R55-F94 HydrophobicContact CB-CE2 4.46Å; R55-F94 HydrophobicContact CB-CG 4.33Å; R55-F94 HydrophobicContact CB-CZ 3.99Å; R55-F94 HydrophobicContact CG-CD1 3.91Å; R55-F94 HydrophobicContact CG-CE1 4.24Å; R55-F94 HydrophobicContact CG-CG 4.25Å; W58-F94 AromaticContact CD1-CD2 3.73Å; W58-F94 AromaticContact CD1-CE2 3.64Å; A90-F94 HydrophobicContact CB-CD2 4.44Å; A90-F94 WeakPolarHBondContact O-CB 3.22Å; A90-F94 PolarHBondContact O-N 2.91Å; F94-I96 VanDerWaalsContact C-N 3.3Å; F94-I96 HydrophobicContact CB-CD1 3.56Å; F94-I96 HydrophobicContact CB-CG1 3.8Å; F94-I96 HydrophobicContact CG-CD1 4.38Å; F94-I96 PolarHBondContact O-N 3.2Å
95	N	88.1	Confident	93.1	Very high	116 Å²	116	65.5 Å²	65.5	62%	0.62	32%	0.319	S	S	*	.			trans	57.1	43.1	-174.5	-166.8	43.2	0	0	0	112.2	E91	E91-N95 WeakPolarHBondContact O-CA 3.49Å; E91-N95 PolarHBondContact O-N 3.39Å
96	I	90.9	Very high	93.2	Very high	8 Å²	8	63.7 Å²	63.7	4%	0.041	32%	0.315	C	S	.	.			trans	-115.5	104.8	-179.6	-58.4	169.6	0	0	0	108.7	W58 C59 N62 E91 F94 L98	W58-I96 HydrophobicContact CB-CD1 3.71Å; W58-I96 HydrophobicContact CB-CG2 4.47Å; C59-I96 WeakPolarHBondContact SG-CD1 3.14Å; N62-I96 HydrophobicContact CB-CG2 3.68Å; E91-I96 WeakPolarHBondContact CA-O 3.26Å; F94-I96 VanDerWaalsContact C-N 3.3Å; F94-I96 HydrophobicContact CB-CD1 3.56Å; F94-I96 HydrophobicContact CB-CG1 3.8Å; F94-I96 HydrophobicContact CG-CD1 4.38Å; F94-I96 PolarHBondContact O-N 3.2Å; I96-L98 HydrophobicContact CG2-CD2 3.97Å
97	S	92.6	Very high	93.4	Very high	66 Å²	66	63.5 Å²	63.5	46%	0.462	31%	0.314	S	S	.	.			trans	-90.6	120.1	173	-49	0	0	0	0	109.9	N62 E91	N62-S97 PolarHBondContact OD1-O 3.15Å; E91-S97 WeakPolarHBondContact OE1-CB 3.3Å; E91-S97 PolarHBondContact OE1-OG 2.81Å
98	L	95.5	Very high	93.4	Very high	34 Å²	34	66.5 Å²	66.5	18%	0.178	33%	0.325	C	S	.	.			trans	-85.1	135.5	179.8	-63.1	-173.4	0	0	0	110.7	W58 I61 N62 V87 I96 V102	W58-L98 HydrophobicContact CE3-CD1 3.89Å; W58-L98 HydrophobicContact CZ3-CD1 3.92Å; I61-L98 HydrophobicContact CG2-CD1 4.32Å; I61-L98 HydrophobicContact CG2-CD2 4.11Å; N62-L98 HydrophobicContact CB-CD2 3.83Å; V87-L98 HydrophobicContact CG1-CB 4.41Å; V87-L98 HydrophobicContact CG1-CD1 3.92Å; V87-L98 HydrophobicContact CG1-CG 4.3Å; V87-L98 HydrophobicContact CG2-CD1 4.17Å; I96-L98 HydrophobicContact CG2-CD2 3.97Å; L98-V102 HydrophobicContact CD1-CG2 3.57Å
99	S	93.6	Very high	93.5	Very high	77 Å²	77	62.9 Å²	62.9	54%	0.538	31%	0.313	S	S	.	.	S	Bend	trans	-89.5	-17.4	-176.7	57.6	0	0	0	0	114	Q65	Q65-S99 WeakPolarHBondContact CB-OG 3.37Å; Q65-S99 PolarHBondContact O-OG 3.28Å
100	E	94.7	Very high	93.6	Very high	48 Å²	48	61 Å²	61	22%	0.224	30%	0.303	C	S	.	.	S	Bend	trans	-132.4	160.5	-178.6	-57.5	-176.7	-171	0	0	110.8	K37 Q65 S68 V102	K37-E100 IonicContact NZ-OE1 2.97Å; K37-E100 PolarHBondContact NZ-OE1 3.23Å; K37-E100 IonicContact NZ-OE2 3.24Å; K37-E100 PolarHBondContact NZ-OE2 3.33Å; Q65-E100 HydrophobicContact CB-CB 4.36Å; Q65-E100 HydrophobicContact CB-CG 4.33Å; Q65-E100 HydrophobicContact CG-CB 4.03Å; Q65-E100 HydrophobicContact CG-CG 4.47Å; Q65-E100 PolarHBondContact NE2-O 3.12Å; Q65-E100 PolarHBondContact OE1-O 3.05Å; S68-E100 WeakPolarHBondContact CA-OE1 3.24Å; S68-E100 WeakPolarHBondContact CB-OE1 3.41Å; S68-E100 PolarHBondContact OG-OE1 3.48Å; E100-V102 PolarHBondContact O-N 2.78Å
101	K	95.2	Very high	93.8	Very high	144 Å²	144	64.9 Å²	64.9	63%	0.626	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-65	135.7	178	-176.6	170.5	-178.4	167.6	0	110.7
102	V	97.2	Very high	93.9	Very high	6 Å²	6	63.7 Å²	63.7	4%	0.036	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-97.8	133.2	168.6	-179.4	0	0	0	0	109.1	W58 I61 V74 L98 E100 F104	W58-V102 HydrophobicContact CZ3-CG2 4.46Å; I61-V102 HydrophobicContact CG2-CG2 3.84Å; V74-V102 HydrophobicContact CB-CG1 4.46Å; V74-V102 HydrophobicContact CG2-CG1 3.64Å; L98-V102 HydrophobicContact CD1-CG2 3.57Å; E100-V102 PolarHBondContact O-N 2.78Å; V102-F104 HydrophobicContact CB-CE2 4.15Å; V102-F104 HydrophobicContact CB-CZ 4.5Å; V102-F104 HydrophobicContact CG1-CD2 4.49Å; V102-F104 HydrophobicContact CG1-CE2 4.06Å; V102-F104 HydrophobicContact CG1-CZ 4.14Å
103	H	97.2	Very high	94.2	Very high	70 Å²	70	55.6 Å²	55.6	32%	0.324	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	125.8	177.8	-63	-91	0	0	0	110.3	C72 Y73 V74	C72-H103 PolarHBondContact O-N 2.93Å; Y73-H103 CarbonylContact C-O 3.28Å; Y73-H103 WeakPolarHBondContact CA-O 3.19Å; Y73-H103 HydrophobicContact CD1-CB 3.36Å; Y73-H103 HydrophobicContact CD2-CB 4.48Å; Y73-H103 HydrophobicContact CE1-CB 3.48Å; Y73-H103 VanDerWaalsContact CE1-CB 3.48Å; Y73-H103 AromaticContact CE1-CG 3.76Å; Y73-H103 HydrophobicContact CG-CB 3.9Å; Y73-H103 AromaticContact CZ-CD2 3.95Å; Y73-H103 AromaticContact CZ-CG 3.95Å; V74-H103 PolarHBondContact N-O 2.93Å
104	F	97.5	Very high	94.5	Very high	38 Å²	38	53.6 Å²	53.6	17%	0.167	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	130.8	178.1	-66.5	-94.1	0	0	0	110.6	W58 V74 P83 I86 V87 V102	W58-F104 HydrophobicContact CH2-CE1 4Å; W58-F104 AromaticContact CH2-CZ 3.8Å; W58-F104 HydrophobicContact CH2-CZ 3.8Å; V74-F104 HydrophobicContact CB-CD1 4.04Å; V74-F104 HydrophobicContact CB-CE1 4.19Å; V74-F104 HydrophobicContact CG1-CD1 4.41Å; V74-F104 HydrophobicContact CG1-CE1 4.43Å; V74-F104 WeakPolarHBondContact O-CA 3.37Å; P83-F104 HydrophobicContact CB-CD2 3.58Å; P83-F104 HydrophobicContact CB-CE2 3.81Å; P83-F104 HydrophobicContact CG-CD2 4.1Å; I86-F104 HydrophobicContact CB-CE1 4.26Å; I86-F104 HydrophobicContact CB-CZ 3.94Å; I86-F104 HydrophobicContact CD1-CD1 4.16Å; I86-F104 HydrophobicContact CD1-CE1 3.96Å; I86-F104 HydrophobicContact CD1-CZ 4.27Å; I86-F104 HydrophobicContact CG2-CE1 3.72Å; I86-F104 HydrophobicContact CG2-CZ 3.67Å; V87-F104 HydrophobicContact CG2-CE2 4.27Å; V87-F104 HydrophobicContact CG2-CZ 4.25Å; V102-F104 HydrophobicContact CB-CE2 4.15Å; V102-F104 HydrophobicContact CB-CZ 4.5Å; V102-F104 HydrophobicContact CG1-CD2 4.49Å; V102-F104 HydrophobicContact CG1-CE2 4.06Å; V102-F104 HydrophobicContact CG1-CZ 4.14Å
105	V	97	Very high	94.6	Very high	18 Å²	18	54.8 Å²	54.8	11%	0.109	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	102.4	173.8	-176.1	0	0	0	0	107.3	Y73 V74 Y75 S76 H140 F141	Y73-V105 HydrophobicContact CD1-CG2 4.23Å; V74-V105 PolarHBondContact O-N 3.36Å; Y75-V105 WeakPolarHBondContact CA-O 3.23Å; Y75-V105 HydrophobicContact CD1-CB 3.63Å; Y75-V105 HydrophobicContact CD1-CG1 3.68Å; Y75-V105 HydrophobicContact CD1-CG2 4.33Å; Y75-V105 HydrophobicContact CE1-CB 3.94Å; Y75-V105 HydrophobicContact CE1-CG1 3.76Å; Y75-V105 HydrophobicContact CE1-CG2 4.24Å; S76-V105 PolarHBondContact N-O 3.42Å; V105-H140 HydrophobicContact CG1-CB 3.53Å; V105-F141 HydrophobicContact CG1-CB 4.2Å; V105-F141 HydrophobicContact CG2-CB 3.83Å; V105-F141 HydrophobicContact CG2-CG 4.18Å
106	T	96.5	Very high	94.6	Very high	59 Å²	59	53.5 Å²	53.5	36%	0.362	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	131.6	-177.1	-51.7	0	0	0	0	110.9	S76 K79 H140	S76-T106 CarbonylContact O-C 3.46Å; S76-T106 WeakPolarHBondContact O-CA 3.4Å; K79-T106 HydrophobicContact CG-CG2 4.43Å; T106-H140 PolarHBondContact O-ND1 3.38Å; T106-H140 VanDerWaalsContact O-ND1 3.15Å
107	L	97.3	Very high	94.6	Very high	0 Å²	0	57 Å²	57	0%	0	32%	0.32	C	S	.	.			trans	-112.9	138.8	177.8	-58.4	-175.1	0	0	0	110.5	F43 Y75 S76 C110 V133 E136 A137	F43-L107 HydrophobicContact CE2-CD1 3.87Å; Y75-L107 HydrophobicContact CD1-CD1 4.43Å; Y75-L107 HydrophobicContact CD1-CD2 4.18Å; Y75-L107 HydrophobicContact CG-CD1 4.47Å; S76-L107 PolarHBondContact O-N 2.82Å; L107-C110 WeakPolarHBondContact CB-SG 3.47Å; L107-V133 HydrophobicContact CD1-CG1 3.79Å; L107-E136 HydrophobicContact CD2-CG 4.03Å; L107-A137 HydrophobicContact CD1-CB 4.03Å; L107-A137 HydrophobicContact CD2-CB 4.04Å
108	Q	96	Very high	94.6	Very high	98 Å²	98	56 Å²	56	46%	0.458	31%	0.307	S	S	.	.	S	Bend	trans	-95	-29.3	-178.2	-56.1	-59.9	-33.5	0	0	112.1	P111 E136	Q108-P111 WeakPolarHBondContact O-CD 3.42Å; Q108-E136 WeakPolarHBondContact CA-OE1 3.34Å; Q108-E136 WeakPolarHBondContact CB-OE1 3.38Å; Q108-E136 PolarHBondContact N-OE1 3.08Å; Q108-E136 PolarHBondContact N-OE2 2.93Å
109	L	96.6	Very high	94.3	Very high	72 Å²	72	60.2 Å²	60.2	38%	0.377	34%	0.336	S	S	.	.	S	Bend	trans	-91	-1.8	-172.6	-56.9	-179.7	0	0	0	114.1	P111 L112 I132 V133 E136	L109-P111 VanDerWaalsContact C-N 3.27Å; L109-P111 VanDerWaalsContact O-N 3.15Å; L109-L112 HydrophobicContact CB-CD1 4.14Å; L109-L112 VanDerWaalsContact O-CB 3.22Å; L109-L112 WeakPolarHBondContact O-CB 3.48Å; L109-L112 VanDerWaalsContact O-CG 3.31Å; L109-L112 WeakPolarHBondContact O-CG 3.38Å; L109-L112 PolarHBondContact O-N 3.48Å; L109-I132 HydrophobicContact CD1-CG2 3.76Å; L109-V133 HydrophobicContact CB-CG2 3.93Å; L109-V133 WeakPolarHBondContact O-CG2 3.48Å; L109-E136 WeakPolarHBondContact CB-OE2 3.35Å; L109-E136 HydrophobicContact CD1-CB 4.25Å; L109-E136 WeakPolarHBondContact CG-OE2 3.45Å; L109-E136 PolarHBondContact N-OE1 2.78Å; L109-E136 PolarHBondContact N-OE2 2.87Å
110	C	95.5	Very high	93.9	Very high	8 Å²	8	66.6 Å²	66.6	5%	0.054	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-52.8	-29.4	176	-73	0	0	0	0	116.2	P45 L107 L112 L113	P45-C110 HydrophobicContact CB-CB 4.24Å; L107-C110 WeakPolarHBondContact CB-SG 3.47Å; C110-L112 PolarHBondContact O-N 3.22Å; C110-L112 VanDerWaalsContact O-N 3.12Å; C110-L113 HydrophobicContact CB-CD1 4.5Å; C110-L113 VanDerWaalsContact O-CB 3.25Å; C110-L113 WeakPolarHBondContact O-CB 3.31Å; C110-L113 WeakPolarHBondContact O-CG 3.36Å; C110-L113 PolarHBondContact O-N 3.22Å
111	P	94.1	Very high	93.6	Very high	85 Å²	85	68.7 Å²	68.7	55%	0.552	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-55.5	-25.3	171.5	-28.6	37.7	0	0	0	114	Q108 L109 L113 N114	Q108-P111 WeakPolarHBondContact O-CD 3.42Å; L109-P111 VanDerWaalsContact C-N 3.27Å; L109-P111 VanDerWaalsContact O-N 3.15Å; P111-L113 PolarHBondContact O-N 2.99Å; P111-N114 WeakPolarHBondContact O-CB 3.34Å; P111-N114 PolarHBondContact O-N 2.87Å
112	L	95.7	Very high	93.4	Very high	58 Å²	58	63.9 Å²	63.9	30%	0.304	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-64.2	-17.1	173.3	-60.1	179.1	0	0	0	113.1	L109 C110 N114 I117 Y118 A129 I132	L109-L112 HydrophobicContact CB-CD1 4.14Å; L109-L112 VanDerWaalsContact O-CB 3.22Å; L109-L112 WeakPolarHBondContact O-CB 3.48Å; L109-L112 VanDerWaalsContact O-CG 3.31Å; L109-L112 WeakPolarHBondContact O-CG 3.38Å; L109-L112 PolarHBondContact O-N 3.48Å; C110-L112 PolarHBondContact O-N 3.22Å; C110-L112 VanDerWaalsContact O-N 3.12Å; L112-N114 VanDerWaalsContact C-N 3.29Å; L112-I117 HydrophobicContact CD2-CD1 4.39Å; L112-Y118 WeakPolarHBondContact O-CE2 3.43Å; L112-Y118 PolarHBondContact O-OH 2.89Å; L112-A129 HydrophobicContact CB-CB 3.84Å; L112-A129 WeakPolarHBondContact O-CB 3.28Å; L112-I132 HydrophobicContact CD1-CG2 4.19Å
113	L	94.4	Very high	93.2	Very high	13 Å²	13	65 Å²	65	7%	0.068	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-80.2	-11.9	177.7	-57.3	176.5	0	0	0	112.7	F43 P45 C110 P111 Q126 A129 V133 F152	F43-L113 HydrophobicContact CE1-CD1 4.3Å; F43-L113 HydrophobicContact CZ-CD1 4.08Å; P45-L113 HydrophobicContact CG-CD1 3.93Å; C110-L113 HydrophobicContact CB-CD1 4.5Å; C110-L113 VanDerWaalsContact O-CB 3.25Å; C110-L113 WeakPolarHBondContact O-CB 3.31Å; C110-L113 WeakPolarHBondContact O-CG 3.36Å; C110-L113 PolarHBondContact O-N 3.22Å; P111-L113 PolarHBondContact O-N 2.99Å; L113-Q126 PolarHBondContact O-NE2 2.89Å; L113-A129 HydrophobicContact CD2-CB 4.04Å; L113-V133 HydrophobicContact CD1-CG1 4.3Å; L113-V133 HydrophobicContact CD1-CG2 4.45Å; L113-V133 HydrophobicContact CD2-CB 4.37Å; L113-V133 HydrophobicContact CD2-CG2 4.01Å; L113-V133 HydrophobicContact CG-CG2 4.07Å; L113-F152 HydrophobicContact CB-CE1 4.12Å; L113-F152 HydrophobicContact CB-CE2 4.22Å; L113-F152 HydrophobicContact CB-CZ 3.7Å; L113-F152 HydrophobicContact CD1-CD2 4.2Å; L113-F152 HydrophobicContact CD1-CE2 3.93Å; L113-F152 HydrophobicContact CD1-CZ 4.21Å; L113-F152 HydrophobicContact CD2-CD1 4Å; L113-F152 HydrophobicContact CD2-CE1 3.87Å; L113-F152 HydrophobicContact CD2-CE2 4.49Å; L113-F152 HydrophobicContact CD2-CG 4.39Å; L113-F152 HydrophobicContact CD2-CZ 4.14Å; L113-F152 HydrophobicContact CG-CE1 4.44Å; L113-F152 HydrophobicContact CG-CE2 4.45Å; L113-F152 HydrophobicContact CG-CZ 4.23Å
114	N	91.5	Very high	93	Very high	87 Å²	87	64.7 Å²	64.7	47%	0.465	35%	0.349	S	S	.	.			trans	-68.2	134.3	-177.7	-165.9	-17.2	0	0	0	111	P111 L112 S116 I117	P111-N114 WeakPolarHBondContact O-CB 3.34Å; P111-N114 PolarHBondContact O-N 2.87Å; L112-N114 VanDerWaalsContact C-N 3.29Å; N114-S116 VanDerWaalsContact C-N 3.26Å; N114-S116 PolarHBondContact ND2-OG 2.84Å; N114-S116 VanDerWaalsContact ND2-OG 3.17Å; N114-S116 PolarHBondContact O-N 3.48Å; N114-S116 PolarHBondContact OD1-N 3.15Å; N114-S116 VanDerWaalsContact OD1-N 3.07Å; N114-S116 PolarHBondContact OD1-OG 2.77Å; N114-I117 WeakPolarHBondContact O-CG1 3.19Å
115	A	89	Confident	92.8	Very high	45 Å²	45	64.6 Å²	64.6	37%	0.372	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-66.9	-29.7	176.5	0	0	0	0	0	112.3	I117 Y118 T122	A115-I117 PolarHBondContact O-N 3.13Å; A115-Y118 PolarHBondContact O-N 3.46Å; A115-T122 HydrophobicContact CB-CG2 3.73Å
116	S	88.2	Confident	92.7	Very high	89 Å²	89	65.2 Å²	65.2	62%	0.622	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-65.2	-23.9	-172.7	65.8	0	0	0	0	114.2	N114 Y118	N114-S116 VanDerWaalsContact C-N 3.26Å; N114-S116 PolarHBondContact ND2-OG 2.84Å; N114-S116 VanDerWaalsContact ND2-OG 3.17Å; N114-S116 PolarHBondContact O-N 3.48Å; N114-S116 PolarHBondContact OD1-N 3.15Å; N114-S116 VanDerWaalsContact OD1-N 3.07Å; N114-S116 PolarHBondContact OD1-OG 2.77Å; S116-Y118 PolarHBondContact O-N 3.29Å
117	I	91.9	Very high	92.6	Very high	83 Å²	83	63.3 Å²	63.3	43%	0.426	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-78.5	-8.6	176.8	58.8	162.1	0	0	0	112.8	L112 N114 A115 P119	L112-I117 HydrophobicContact CD2-CD1 4.39Å; N114-I117 WeakPolarHBondContact O-CG1 3.19Å; A115-I117 PolarHBondContact O-N 3.13Å; I117-P119 WeakPolarHBondContact O-CD 3.11Å
118	Y	92.4	Very high	92.5	Very high	45 Å²	45	67.6 Å²	67.6	18%	0.176	37%	0.366	C	S	.	.			trans	-122.2	85.7	-177.3	-53.2	-55.3	0	0	0	111.3	L112 A115 S116 R120 T122 C125 Q126	L112-Y118 WeakPolarHBondContact O-CE2 3.43Å; L112-Y118 PolarHBondContact O-OH 2.89Å; A115-Y118 PolarHBondContact O-N 3.46Å; S116-Y118 PolarHBondContact O-N 3.29Å; Y118-R120 PolarHBondContact O-N 2.79Å; Y118-T122 PolarHBondContact O-OG1 3.24Å; Y118-C125 HydrophobicContact CD1-CB 3.41Å; Y118-C125 VanDerWaalsContact CD1-CB 3.41Å; Y118-C125 HydrophobicContact CD2-CB 3.65Å; Y118-C125 HydrophobicContact CE1-CB 3.59Å; Y118-C125 HydrophobicContact CE2-CB 3.79Å; Y118-C125 HydrophobicContact CG-CB 3.43Å; Y118-C125 VanDerWaalsContact CG-CB 3.43Å; Y118-Q126 HydrophobicContact CD2-CG 3.9Å; Y118-Q126 HydrophobicContact CE2-CG 4.03Å
119	P	87.9	Confident	92.5	Very high	122 Å²	122	63 Å²	63	79%	0.792	34%	0.344	S	S	*	.	S	Bend	trans	-68.4	-14.6	178.3	27.1	-35.3	0	0	0	113.7	I117	I117-P119 WeakPolarHBondContact O-CD 3.11Å
120	R	86.4	Confident	92.4	Very high	211 Å²	211	59.6 Å²	59.6	80%	0.796	33%	0.326	S	S	*	.	S	Bend	trans	-139.2	150.7	176.8	-63.9	-177.9	-177.8	147.6	0.3	110	Y118 T122	Y118-R120 PolarHBondContact O-N 2.79Å; R120-T122 PolarHBondContact O-N 2.71Å; R120-T122 VanDerWaalsContact O-N 3.15Å
121	L	88.5	Confident	92.4	Very high	92 Å²	92	62.3 Å²	62.3	48%	0.482	34%	0.337	S	S	.	.	S	Bend	trans	52.8	32.1	-179.8	-57.5	174.9	0	0	0	113.1	L123 L124 C125 Y210	L121-L123 VanDerWaalsContact C-N 3.3Å; L121-L123 PolarHBondContact O-N 3.34Å; L121-L123 VanDerWaalsContact O-N 3.16Å; L121-L124 HydrophobicContact CB-CB 4.44Å; L121-L124 WeakPolarHBondContact O-CB 3.33Å; L121-L124 PolarHBondContact O-N 3.22Å; L121-C125 PolarHBondContact O-N 2.94Å; L121-Y210 HydrophobicContact CD2-CD1 4.08Å; L121-Y210 HydrophobicContact CD2-CD2 4.05Å; L121-Y210 HydrophobicContact CD2-CE1 3.93Å; L121-Y210 HydrophobicContact CD2-CE2 3.89Å; L121-Y210 HydrophobicContact CD2-CG 4.16Å; L121-Y210 PolarHBondContact O-OH 3.13Å
122	T	91.3	Very high	92.5	Very high	42 Å²	42	61.6 Å²	61.6	26%	0.258	33%	0.328	S	S	.	.	H	α-helix	trans	-49.5	-47.6	-169.9	-46	0	0	0	0	112.9	A115 Y118 R120 L124 C125 Q126	A115-T122 HydrophobicContact CB-CG2 3.73Å; Y118-T122 PolarHBondContact O-OG1 3.24Å; R120-T122 PolarHBondContact O-N 2.71Å; R120-T122 VanDerWaalsContact O-N 3.15Å; T122-L124 VanDerWaalsContact C-N 3.32Å; T122-L124 PolarHBondContact O-N 2.94Å; T122-C125 PolarHBondContact O-N 2.95Å; T122-Q126 HydrophobicContact CG2-CG 4.4Å; T122-Q126 WeakPolarHBondContact O-CB 3.31Å; T122-Q126 WeakPolarHBondContact O-CG 3.22Å; T122-Q126 PolarHBondContact O-N 2.87Å
123	L	91.5	Very high	92.6	Very high	29 Å²	29	58.9 Å²	58.9	15%	0.152	31%	0.314	C	S	.	.	H	α-helix	trans	-65.5	-34	-178.6	-57.9	175.9	0	0	0	113	L121 S127 M180 Y211 L214	L121-L123 VanDerWaalsContact C-N 3.3Å; L121-L123 PolarHBondContact O-N 3.34Å; L121-L123 VanDerWaalsContact O-N 3.16Å; L123-S127 VanDerWaalsContact O-CB 3.29Å; L123-S127 WeakPolarHBondContact O-CB 3.22Å; L123-S127 PolarHBondContact O-N 3.03Å; L123-S127 PolarHBondContact O-OG 3.44Å; L123-M180 HydrophobicContact CD1-CE 3.71Å; L123-Y211 HydrophobicContact CD1-CE2 4.45Å; L123-L214 HydrophobicContact CB-CD2 3.41Å; L123-L214 VanDerWaalsContact CB-CD2 3.41Å; L123-L214 HydrophobicContact CD1-CD2 3.84Å; L123-L214 HydrophobicContact CG-CD2 4.29Å
124	L	93.3	Very high	92.7	Very high	64 Å²	64	58.2 Å²	58.2	34%	0.335	31%	0.311	S	S	.	.	H	α-helix	trans	-72.4	-47.5	176.9	174.2	65.2	0	0	0	110.4	L121 T122 Q126 S127 I128 Y210	L121-L124 HydrophobicContact CB-CB 4.44Å; L121-L124 WeakPolarHBondContact O-CB 3.33Å; L121-L124 PolarHBondContact O-N 3.22Å; T122-L124 VanDerWaalsContact C-N 3.32Å; T122-L124 PolarHBondContact O-N 2.94Å; L124-Q126 PolarHBondContact O-N 3.12Å; L124-S127 WeakPolarHBondContact O-CB 3.33Å; L124-S127 PolarHBondContact O-N 3.03Å; L124-S127 VanDerWaalsContact O-N 3.13Å; L124-I128 HydrophobicContact CD1-CD1 4.24Å; L124-I128 HydrophobicContact CD1-CG1 4.5Å; L124-I128 HydrophobicContact CG-CD1 4.13Å; L124-I128 WeakPolarHBondContact O-CG1 3.34Å; L124-I128 PolarHBondContact O-N 2.89Å; L124-Y210 HydrophobicContact CB-CE2 3.77Å; L124-Y210 WeakPolarHBondContact CB-OH 3.5Å; L124-Y210 HydrophobicContact CD2-CE2 4.25Å; L124-Y210 PolarHBondContact N-OH 3.47Å
125	C	95	Very high	92.9	Very high	36 Å²	36	57.8 Å²	57.8	24%	0.243	31%	0.308	C	S	.	.	H	α-helix	trans	-62.5	-43	178.5	-65.4	0	0	0	0	111.5	Y118 L121 T122 S127 I128 A129	Y118-C125 HydrophobicContact CD1-CB 3.41Å; Y118-C125 VanDerWaalsContact CD1-CB 3.41Å; Y118-C125 HydrophobicContact CD2-CB 3.65Å; Y118-C125 HydrophobicContact CE1-CB 3.59Å; Y118-C125 HydrophobicContact CE2-CB 3.79Å; Y118-C125 HydrophobicContact CG-CB 3.43Å; Y118-C125 VanDerWaalsContact CG-CB 3.43Å; L121-C125 PolarHBondContact O-N 2.94Å; T122-C125 PolarHBondContact O-N 2.95Å; C125-S127 VanDerWaalsContact C-N 3.32Å; C125-S127 PolarHBondContact O-N 3.4Å; C125-I128 PolarHBondContact O-N 3.5Å; C125-A129 WeakPolarHBondContact O-CB 3.47Å; C125-A129 PolarHBondContact O-N 2.71Å
126	Q	94.2	Very high	93.2	Very high	32 Å²	32	56.7 Å²	56.7	15%	0.15	30%	0.295	C	S	.	.	H	α-helix	trans	-62.9	-36.4	172.6	-75	-176.9	-52.9	0	0	112.5	L113 Y118 T122 L124 A129 G130 F152	L113-Q126 PolarHBondContact O-NE2 2.89Å; Y118-Q126 HydrophobicContact CD2-CG 3.9Å; Y118-Q126 HydrophobicContact CE2-CG 4.03Å; T122-Q126 HydrophobicContact CG2-CG 4.4Å; T122-Q126 WeakPolarHBondContact O-CB 3.31Å; T122-Q126 WeakPolarHBondContact O-CG 3.22Å; T122-Q126 PolarHBondContact O-N 2.87Å; L124-Q126 PolarHBondContact O-N 3.12Å; Q126-A129 PolarHBondContact O-N 2.97Å; Q126-G130 PolarHBondContact O-N 2.69Å; Q126-F152 HydrophobicContact CB-CE1 4.43Å
127	S	93.8	Very high	93.7	Very high	19 Å²	19	52.4 Å²	52.4	13%	0.133	27%	0.265	C	S	.	.	H	α-helix	trans	-63.8	-44	175.4	-64.8	0	0	0	0	111.4	L123 L124 C125 G130 F131 T154	L123-S127 VanDerWaalsContact O-CB 3.29Å; L123-S127 WeakPolarHBondContact O-CB 3.22Å; L123-S127 PolarHBondContact O-N 3.03Å; L123-S127 PolarHBondContact O-OG 3.44Å; L124-S127 WeakPolarHBondContact O-CB 3.33Å; L124-S127 PolarHBondContact O-N 3.03Å; L124-S127 VanDerWaalsContact O-N 3.13Å; C125-S127 VanDerWaalsContact C-N 3.32Å; C125-S127 PolarHBondContact O-N 3.4Å; S127-G130 PolarHBondContact O-N 3.33Å; S127-F131 WeakPolarHBondContact O-CD2 3.38Å; S127-F131 PolarHBondContact O-N 3.17Å; S127-T154 WeakPolarHBondContact O-CB 3.44Å; S127-T154 WeakPolarHBondContact O-CG2 3.21Å; S127-T154 PolarHBondContact O-OG1 2.84Å
128	I	94.9	Very high	93.8	Very high	90 Å²	90	48.7 Å²	48.7	46%	0.462	25%	0.246	S	C	.	.	H	α-helix	trans	-63.4	-45.6	174.4	-66.3	167.1	0	0	0	110.4	L124 C125 G130 F131 I132	L124-I128 HydrophobicContact CD1-CD1 4.24Å; L124-I128 HydrophobicContact CD1-CG1 4.5Å; L124-I128 HydrophobicContact CG-CD1 4.13Å; L124-I128 WeakPolarHBondContact O-CG1 3.34Å; L124-I128 PolarHBondContact O-N 2.89Å; C125-I128 PolarHBondContact O-N 3.5Å; I128-G130 VanDerWaalsContact C-N 3.27Å; I128-G130 PolarHBondContact O-N 2.9Å; I128-F131 WeakPolarHBondContact O-CB 3.17Å; I128-F131 PolarHBondContact O-N 3.33Å; I128-I132 HydrophobicContact CG2-CD1 4.11Å; I128-I132 PolarHBondContact O-N 3.39Å; I128-I132 VanDerWaalsContact O-N 3.13Å
129	A	95.8	Very high	93.7	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.008	27%	0.269	C	S	.	.	H	α-helix	trans	-58.2	-39.9	175.3	0	0	0	0	0	111.7	L112 L113 C125 Q126 F131 I132 V133	L112-A129 HydrophobicContact CB-CB 3.84Å; L112-A129 WeakPolarHBondContact O-CB 3.28Å; L113-A129 HydrophobicContact CD2-CB 4.04Å; C125-A129 WeakPolarHBondContact O-CB 3.47Å; C125-A129 PolarHBondContact O-N 2.71Å; Q126-A129 PolarHBondContact O-N 2.97Å; A129-F131 VanDerWaalsContact C-N 3.28Å; A129-F131 PolarHBondContact O-N 3.47Å; A129-I132 PolarHBondContact O-N 3.28Å; A129-I132 VanDerWaalsContact O-N 3.09Å; A129-V133 WeakPolarHBondContact O-CG2 3.33Å; A129-V133 PolarHBondContact O-N 3.02Å
130	G	95.7	Very high	94	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.5	-33.8	174.7	0	0	0	0	0	113.6	Q126 S127 I128 G134 T154 T155	Q126-G130 PolarHBondContact O-N 2.69Å; S127-G130 PolarHBondContact O-N 3.33Å; I128-G130 VanDerWaalsContact C-N 3.27Å; I128-G130 PolarHBondContact O-N 2.9Å; G130-G134 PolarHBondContact O-N 2.85Å; G130-T154 WeakPolarHBondContact CA-OG1 3.48Å; G130-T155 WeakPolarHBondContact O-CG2 3.32Å
131	F	95.2	Very high	94.4	Very high	65 Å²	65	43 Å²	43	29%	0.285	22%	0.222	S	C	.	.	H	α-helix	trans	-66.3	-47	170	-81.6	-77.1	0	0	0	111.9	S127 I128 A129 G134 L135 T154 C157 V158 L221	S127-F131 WeakPolarHBondContact O-CD2 3.38Å; S127-F131 PolarHBondContact O-N 3.17Å; I128-F131 WeakPolarHBondContact O-CB 3.17Å; I128-F131 PolarHBondContact O-N 3.33Å; A129-F131 VanDerWaalsContact C-N 3.28Å; A129-F131 PolarHBondContact O-N 3.47Å; F131-G134 PolarHBondContact O-N 2.94Å; F131-L135 WeakPolarHBondContact O-CG 3.34Å; F131-L135 PolarHBondContact O-N 2.93Å; F131-T154 HydrophobicContact CD2-CG2 3.7Å; F131-T154 VanDerWaalsContact CE2-CB 3.49Å; F131-T154 HydrophobicContact CE2-CG2 3.31Å; F131-T154 HydrophobicContact CZ-CG2 3.97Å; F131-C157 HydrophobicContact CE1-CB 3.71Å; F131-C157 HydrophobicContact CZ-CB 4.09Å; F131-V158 HydrophobicContact CD1-CG2 3.77Å; F131-L221 HydrophobicContact CE2-CD1 4.09Å; F131-L221 HydrophobicContact CZ-CD1 3.87Å; F131-L221 HydrophobicContact CZ-CD2 3.89Å
132	I	96.3	Very high	94.7	Very high	71 Å²	71	41 Å²	41	36%	0.364	21%	0.21	S	C	.	.	H	α-helix	trans	-62.3	-48.6	-178.2	-64.8	168.7	0	0	0	110.9	L109 L112 I128 A129 G134 L135 E136	L109-I132 HydrophobicContact CD1-CG2 3.76Å; L112-I132 HydrophobicContact CD1-CG2 4.19Å; I128-I132 HydrophobicContact CG2-CD1 4.11Å; I128-I132 PolarHBondContact O-N 3.39Å; I128-I132 VanDerWaalsContact O-N 3.13Å; A129-I132 PolarHBondContact O-N 3.28Å; A129-I132 VanDerWaalsContact O-N 3.09Å; I132-G134 VanDerWaalsContact C-N 3.32Å; I132-G134 PolarHBondContact O-N 3.41Å; I132-L135 WeakPolarHBondContact O-CB 3.39Å; I132-L135 PolarHBondContact O-N 2.79Å; I132-E136 PolarHBondContact O-N 3.19Å
133	V	97.4	Very high	94.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-67.7	-35.2	177.6	-179.5	0	0	0	0	111	F43 L107 L109 L113 A129 L135 E136 A137	F43-V133 HydrophobicContact CE2-CG1 3.92Å; F43-V133 HydrophobicContact CZ-CG1 3.78Å; L107-V133 HydrophobicContact CD1-CG1 3.79Å; L109-V133 HydrophobicContact CB-CG2 3.93Å; L109-V133 WeakPolarHBondContact O-CG2 3.48Å; L113-V133 HydrophobicContact CD1-CG1 4.3Å; L113-V133 HydrophobicContact CD1-CG2 4.45Å; L113-V133 HydrophobicContact CD2-CB 4.37Å; L113-V133 HydrophobicContact CD2-CG2 4.01Å; L113-V133 HydrophobicContact CG-CG2 4.07Å; A129-V133 WeakPolarHBondContact O-CG2 3.33Å; A129-V133 PolarHBondContact O-N 3.02Å; V133-L135 VanDerWaalsContact C-N 3.31Å; V133-L135 PolarHBondContact O-N 2.84Å; V133-E136 PolarHBondContact O-N 3.42Å; V133-A137 WeakPolarHBondContact O-CB 3.26Å; V133-A137 PolarHBondContact O-N 2.84Å
134	G	96.5	Very high	94.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.9	-38.4	172	0	0	0	0	0	112.7	G130 F131 I132 A137 L138 V158	G130-G134 PolarHBondContact O-N 2.85Å; F131-G134 PolarHBondContact O-N 2.94Å; I132-G134 VanDerWaalsContact C-N 3.32Å; I132-G134 PolarHBondContact O-N 3.41Å; G134-A137 PolarHBondContact O-N 2.99Å; G134-L138 WeakPolarHBondContact O-CB 3.38Å; G134-L138 PolarHBondContact O-N 3.31Å; G134-V158 VanDerWaalsContact C-CG1 3.44Å; G134-V158 VanDerWaalsContact O-CG1 3.28Å; G134-V158 WeakPolarHBondContact O-CG1 3.3Å
135	L	95.4	Very high	95	Very high	77 Å²	77	35.5 Å²	35.5	40%	0.403	18%	0.18	S	C	.	.	H	α-helix	trans	-66.5	-45.2	174.6	-73.3	169.5	0	0	0	111.7	F131 I132 V133 A137 L138 L139 V158 L162	F131-L135 WeakPolarHBondContact O-CG 3.34Å; F131-L135 PolarHBondContact O-N 2.93Å; I132-L135 WeakPolarHBondContact O-CB 3.39Å; I132-L135 PolarHBondContact O-N 2.79Å; V133-L135 VanDerWaalsContact C-N 3.31Å; V133-L135 PolarHBondContact O-N 2.84Å; L135-A137 VanDerWaalsContact C-N 3.32Å; L135-A137 PolarHBondContact O-N 2.77Å; L135-L138 PolarHBondContact O-N 3.08Å; L135-L139 VanDerWaalsContact O-CG 3.29Å; L135-L139 WeakPolarHBondContact O-CG 3.26Å; L135-L139 PolarHBondContact O-N 3.22Å; L135-V158 HydrophobicContact CD2-CG1 4.21Å; L135-V158 HydrophobicContact CG-CG1 4.49Å; L135-V158 HydrophobicContact CG-CG2 4.44Å; L135-L162 HydrophobicContact CD2-CD1 3.31Å
136	E	96.5	Very high	95.1	Very high	22 Å²	22	33.8 Å²	33.8	10%	0.103	17%	0.168	C	C	.	.	H	α-helix	trans	-55.5	-49.7	173.3	-178	-172.2	-158.9	0	0	110.9	L107 Q108 L109 I132 V133 L138 L139 H140	L107-E136 HydrophobicContact CD2-CG 4.03Å; Q108-E136 WeakPolarHBondContact CA-OE1 3.34Å; Q108-E136 WeakPolarHBondContact CB-OE1 3.38Å; Q108-E136 PolarHBondContact N-OE1 3.08Å; Q108-E136 PolarHBondContact N-OE2 2.93Å; L109-E136 WeakPolarHBondContact CB-OE2 3.35Å; L109-E136 HydrophobicContact CD1-CB 4.25Å; L109-E136 WeakPolarHBondContact CG-OE2 3.45Å; L109-E136 PolarHBondContact N-OE1 2.78Å; L109-E136 PolarHBondContact N-OE2 2.87Å; I132-E136 PolarHBondContact O-N 3.19Å; V133-E136 PolarHBondContact O-N 3.42Å; E136-L138 VanDerWaalsContact C-N 3.34Å; E136-L138 PolarHBondContact O-N 2.7Å; E136-L139 PolarHBondContact O-N 2.99Å; E136-L139 VanDerWaalsContact O-N 3.17Å; E136-H140 PolarHBondContact O-N 2.77Å; E136-H140 IonicContact OE1-CE1 3.23Å
137	A	97.2	Very high	95.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-56.4	-47.5	178.3	0	0	0	0	0	111.9	Y75 L107 V133 G134 L135 L139 H140 F141 F159	Y75-A137 HydrophobicContact CD1-CB 3.65Å; Y75-A137 HydrophobicContact CD2-CB 4.4Å; Y75-A137 HydrophobicContact CE1-CB 3.67Å; Y75-A137 VanDerWaalsContact CE1-O 3.26Å; Y75-A137 WeakPolarHBondContact CE1-O 3.46Å; Y75-A137 HydrophobicContact CE2-CB 4.4Å; Y75-A137 HydrophobicContact CG-CB 4.04Å; L107-A137 HydrophobicContact CD1-CB 4.03Å; L107-A137 HydrophobicContact CD2-CB 4.04Å; V133-A137 WeakPolarHBondContact O-CB 3.26Å; V133-A137 PolarHBondContact O-N 2.84Å; G134-A137 PolarHBondContact O-N 2.99Å; L135-A137 VanDerWaalsContact C-N 3.32Å; L135-A137 PolarHBondContact O-N 2.77Å; A137-L139 VanDerWaalsContact C-N 3.31Å; A137-L139 PolarHBondContact O-N 2.97Å; A137-H140 PolarHBondContact O-N 3.21Å; A137-F141 PolarHBondContact O-N 3.49Å; A137-F141 VanDerWaalsContact O-O 3.11Å; A137-F159 HydrophobicContact CB-CE2 4.13Å; A137-F159 HydrophobicContact CB-CZ 3.93Å
138	L	93.8	Very high	95.5	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.021	16%	0.155	C	C	.	.	H	α-helix	trans	-63.1	-35.5	179.2	178.7	64.3	0	0	0	113	G134 L135 E136 F141 Q142 V158 F159 L162 L163	G134-L138 WeakPolarHBondContact O-CB 3.38Å; G134-L138 PolarHBondContact O-N 3.31Å; L135-L138 PolarHBondContact O-N 3.08Å; E136-L138 VanDerWaalsContact C-N 3.34Å; E136-L138 PolarHBondContact O-N 2.7Å; L138-F141 CarbonylContact C-O 3.6Å; L138-F141 WeakPolarHBondContact CA-O 3.41Å; L138-Q142 HydrophobicContact CD1-CG 3.97Å; L138-Q142 WeakPolarHBondContact O-CG 3.47Å; L138-V158 HydrophobicContact CB-CG1 4.04Å; L138-V158 HydrophobicContact CD2-CG1 3.91Å; L138-F159 HydrophobicContact CB-CE1 4.11Å; L138-F159 HydrophobicContact CB-CZ 3.99Å; L138-F159 HydrophobicContact CD1-CD1 3.88Å; L138-F159 HydrophobicContact CD1-CE1 3.7Å; L138-F159 HydrophobicContact CD1-CZ 4.44Å; L138-L162 HydrophobicContact CD2-CB 3.68Å; L138-L162 HydrophobicContact CD2-CD1 4.25Å; L138-L163 HydrophobicContact CD1-CB 3.68Å; L138-L163 HydrophobicContact CD1-CD1 4.2Å; L138-L163 HydrophobicContact CD1-CD2 3.69Å; L138-L163 HydrophobicContact CD1-CG 4.06Å
139	L	92.3	Very high	95.6	Very high	125 Å²	125	27.3 Å²	27.3	65%	0.654	13%	0.134	S	C	*	.	H	α-helix	trans	-72	-35.8	177.7	-70.7	172.6	0	0	0	112	L135 E136 A137	L135-L139 VanDerWaalsContact O-CG 3.29Å; L135-L139 WeakPolarHBondContact O-CG 3.26Å; L135-L139 PolarHBondContact O-N 3.22Å; E136-L139 PolarHBondContact O-N 2.99Å; E136-L139 VanDerWaalsContact O-N 3.17Å; A137-L139 VanDerWaalsContact C-N 3.31Å; A137-L139 PolarHBondContact O-N 2.97Å
140	H	94	Very high	95.4	Very high	106 Å²	106	28.3 Å²	28.3	49%	0.491	14%	0.14	S	C	.	.	H	α-helix	trans	-75.7	-37.5	177.4	-74.2	-166.5	0	0	0	112.4	V105 T106 E136 A137	V105-H140 HydrophobicContact CG1-CB 3.53Å; T106-H140 PolarHBondContact O-ND1 3.38Å; T106-H140 VanDerWaalsContact O-ND1 3.15Å; E136-H140 PolarHBondContact O-N 2.77Å; E136-H140 IonicContact OE1-CE1 3.23Å; A137-H140 PolarHBondContact O-N 3.21Å
141	F	94.7	Very high	95.1	Very high	27 Å²	27	28.7 Å²	28.7	12%	0.118	14%	0.144	C	C	.	.			trans	-151.7	143.2	179.8	-174.4	-109.5	0	0	0	112.7	R39 A41 Y73 Y75 V105 A137 L138 P143	R39-F141 HydrophobicContact CB-CZ 4.03Å; A41-F141 HydrophobicContact CB-CD1 4.15Å; A41-F141 HydrophobicContact CB-CE1 4.14Å; Y73-F141 HydrophobicContact CD1-CD1 4.01Å; Y73-F141 HydrophobicContact CD1-CD2 4.11Å; Y73-F141 AromaticContact CD1-CE1 3.6Å; Y73-F141 HydrophobicContact CD1-CE1 3.6Å; Y73-F141 AromaticContact CD1-CE2 3.72Å; Y73-F141 HydrophobicContact CD1-CE2 3.72Å; Y73-F141 HydrophobicContact CD1-CG 4.25Å; Y73-F141 AromaticContact CD1-CZ 3.44Å; Y73-F141 HydrophobicContact CD1-CZ 3.44Å; Y73-F141 VanDerWaalsContact CD1-CZ 3.44Å; Y73-F141 AromaticContact CD2-CE1 3.72Å; Y73-F141 HydrophobicContact CD2-CE1 3.72Å; Y73-F141 AromaticContact CD2-CZ 3.57Å; Y73-F141 HydrophobicContact CD2-CZ 3.57Å; Y73-F141 HydrophobicContact CE1-CD2 4.04Å; Y73-F141 HydrophobicContact CE1-CE1 4.06Å; Y73-F141 AromaticContact CE1-CE2 3.38Å; Y73-F141 HydrophobicContact CE1-CE2 3.38Å; Y73-F141 AromaticContact CE1-CZ 3.39Å; Y73-F141 HydrophobicContact CE1-CZ 3.39Å; Y73-F141 HydrophobicContact CE2-CE1 4.19Å; Y73-F141 HydrophobicContact CE2-CE2 4.27Å; Y73-F141 AromaticContact CE2-CZ 3.55Å; Y73-F141 HydrophobicContact CE2-CZ 3.55Å; Y73-F141 HydrophobicContact CG-CD1 4.1Å; Y73-F141 AromaticContact CG-CE1 3.42Å; Y73-F141 HydrophobicContact CG-CE1 3.42Å; Y73-F141 VanDerWaalsContact CG-CE1 3.42Å; Y73-F141 HydrophobicContact CG-CE2 4.3Å; Y73-F141 AromaticContact CG-CZ 3.55Å; Y73-F141 HydrophobicContact CG-CZ 3.55Å; Y73-F141 AromaticContact CZ-CE2 3.7Å; Y73-F141 AromaticContact CZ-CZ 3.46Å; Y73-F141 VanDerWaalsContact CZ-CZ 3.46Å; Y75-F141 HydrophobicContact CE1-CB 3.94Å; Y75-F141 PolarHBondContact OH-O 2.89Å; V105-F141 HydrophobicContact CG1-CB 4.2Å; V105-F141 HydrophobicContact CG2-CB 3.83Å; V105-F141 HydrophobicContact CG2-CG 4.18Å; A137-F141 PolarHBondContact O-N 3.49Å; A137-F141 VanDerWaalsContact O-O 3.11Å; L138-F141 CarbonylContact C-O 3.6Å; L138-F141 WeakPolarHBondContact CA-O 3.41Å; F141-P143 HydrophobicContact CD1-CB 4.33Å; F141-P143 HydrophobicContact CE1-CB 3.91Å
142	Q	93.2	Very high	94.9	Very high	51 Å²	51	27.3 Å²	27.3	24%	0.238	14%	0.138	C	C	.	.			trans	-120.9	100	-178.8	-68.5	169.2	29	0	0	109.4	R39 L138 L163	R39-Q142 PolarHBondContact NH1-O 3.49Å; R39-Q142 VanDerWaalsContact NH1-O 3.08Å; R39-Q142 PolarHBondContact NH2-O 3.16Å; L138-Q142 HydrophobicContact CD1-CG 3.97Å; L138-Q142 WeakPolarHBondContact O-CG 3.47Å; Q142-L163 HydrophobicContact CB-CD1 4.06Å; Q142-L163 HydrophobicContact CB-CD2 3.94Å; Q142-L163 HydrophobicContact CG-CD1 4.01Å; Q142-L163 HydrophobicContact CG-CD2 4.35Å
143	P	94.5	Very high	94.7	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.013	12%	0.122	C	C	.	.			trans	-81.8	164.2	-178.1	35.1	-37.1	0	0	0	112	A41 F141 I145 F146 F159 L163 C165	A41-P143 HydrophobicContact CB-CB 3.58Å; A41-P143 HydrophobicContact CB-CG 3.84Å; F141-P143 HydrophobicContact CD1-CB 4.33Å; F141-P143 HydrophobicContact CE1-CB 3.91Å; P143-I145 WeakPolarHBondContact CB-O 3.3Å; P143-F146 HydrophobicContact CG-CB 4.11Å; P143-F146 HydrophobicContact CG-CD2 4.5Å; P143-F159 VanDerWaalsContact CD-CE1 3.5Å; P143-F159 HydrophobicContact CG-CD1 3.94Å; P143-F159 HydrophobicContact CG-CE1 3.88Å; P143-L163 WeakPolarHBondContact O-CD2 3.2Å; P143-C165 WeakPolarHBondContact O-CB 3.25Å
144	D	93	Very high	94.5	Very high	10 Å²	10	24.5 Å²	24.5	5%	0.053	13%	0.125	C	C	.	.	S	Bend	trans	-80.9	-32.6	169.7	-63.7	-64	0	0	0	111.6	R31 L34 R39 C165 K166	R31-D144 IonicContact CZ-OD1 3.88Å; R31-D144 IonicContact NE-OD1 3.05Å; R31-D144 PolarHBondContact NE-OD1 3.03Å; R31-D144 IonicContact NH2-OD1 3.55Å; R31-D144 PolarHBondContact NH2-OD1 3.38Å; L34-D144 HydrophobicContact CD1-CB 3.93Å; L34-D144 WeakPolarHBondContact CD1-OD1 3.27Å; L34-D144 WeakPolarHBondContact CD1-OD2 3.44Å; R39-D144 WeakPolarHBondContact CB-OD2 3.2Å; R39-D144 IonicContact CZ-OD2 4Å; R39-D144 PolarHBondContact N-OD2 3.25Å; R39-D144 IonicContact NE-OD2 2.89Å; R39-D144 PolarHBondContact NE-OD2 2.86Å; R39-D144 IonicContact NH2-OD1 3.64Å; R39-D144 IonicContact NH2-OD2 3.49Å; R39-D144 PolarHBondContact NH2-OD2 3.45Å; R39-D144 PolarHBondContact O-N 3.22Å; D144-C165 WeakPolarHBondContact O-CB 3.5Å; D144-K166 PolarHBondContact O-N 3.21Å
145	I	95.9	Very high	94.4	Very high	7 Å²	7	24.5 Å²	24.5	4%	0.036	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	126.5	176.2	-55.6	171.6	0	0	0	108.6	R39 V40 A41 P143 I147 K166 F462 L465 C466	R39-I145 PolarHBondContact O-N 3.45Å; V40-I145 WeakPolarHBondContact CA-O 3.42Å; V40-I145 HydrophobicContact CG2-CB 4.19Å; V40-I145 HydrophobicContact CG2-CD1 4.27Å; A41-I145 PolarHBondContact N-O 3.36Å; P143-I145 WeakPolarHBondContact CB-O 3.3Å; I145-I147 HydrophobicContact CG2-CG1 4.13Å; I145-K166 WeakPolarHBondContact CA-O 3.45Å; I145-K166 HydrophobicContact CG1-CB 4.22Å; I145-F462 HydrophobicContact CD1-CE1 4.42Å; I145-F462 HydrophobicContact CD1-CE2 3.74Å; I145-F462 HydrophobicContact CD1-CZ 3.54Å; I145-F462 HydrophobicContact CG2-CE2 4.16Å; I145-L465 HydrophobicContact CG2-CD2 3.76Å; I145-C466 WeakPolarHBondContact CD1-SG 3.45Å
146	F	97.8	Very high	94.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	130.8	176.1	176.7	-101.3	0	0	0	110.5	A41 F43 Y75 P143 E148 L156 F159 K166 T167 A168	A41-F146 WeakPolarHBondContact O-CA 3.48Å; F43-F146 HydrophobicContact CB-CE2 3.69Å; F43-F146 HydrophobicContact CB-CZ 3.52Å; F43-F146 HydrophobicContact CD2-CE2 4.44Å; F43-F146 HydrophobicContact CD2-CZ 4.39Å; F43-F146 HydrophobicContact CG-CE2 4.44Å; F43-F146 HydrophobicContact CG-CZ 4.13Å; Y75-F146 HydrophobicContact CD2-CE2 4.09Å; Y75-F146 HydrophobicContact CE2-CD2 4.02Å; Y75-F146 AromaticContact CE2-CE2 3.86Å; Y75-F146 HydrophobicContact CE2-CE2 3.86Å; P143-F146 HydrophobicContact CG-CB 4.11Å; P143-F146 HydrophobicContact CG-CD2 4.5Å; F146-E148 HydrophobicContact CE1-CB 4.04Å; F146-E148 HydrophobicContact CE1-CG 4.5Å; F146-L156 HydrophobicContact CD1-CD2 3.99Å; F146-L156 HydrophobicContact CE1-CD2 3.97Å; F146-F159 HydrophobicContact CB-CB 3.9Å; F146-F159 HydrophobicContact CB-CD1 4.08Å; F146-F159 HydrophobicContact CB-CG 3.93Å; F146-F159 HydrophobicContact CD1-CB 3.84Å; F146-F159 AromaticContact CD1-CD2 3.86Å; F146-F159 HydrophobicContact CD1-CD2 3.86Å; F146-F159 AromaticContact CD1-CG 3.91Å; F146-F159 HydrophobicContact CD1-CG 3.91Å; F146-F159 HydrophobicContact CD2-CB 4.35Å; F146-F159 AromaticContact CD2-CD1 3.82Å; F146-F159 HydrophobicContact CD2-CD1 3.82Å; F146-F159 AromaticContact CD2-CD2 3.49Å; F146-F159 HydrophobicContact CD2-CD2 3.49Å; F146-F159 VanDerWaalsContact CD2-CD2 3.49Å; F146-F159 AromaticContact CD2-CE1 3.95Å; F146-F159 HydrophobicContact CD2-CE1 3.95Å; F146-F159 AromaticContact CD2-CE2 3.64Å; F146-F159 HydrophobicContact CD2-CE2 3.64Å; F146-F159 AromaticContact CD2-CG 3.6Å; F146-F159 HydrophobicContact CD2-CG 3.6Å; F146-F159 AromaticContact CD2-CZ 3.86Å; F146-F159 HydrophobicContact CD2-CZ 3.86Å; F146-F159 HydrophobicContact CE1-CB 4.46Å; F146-F159 AromaticContact CE1-CD2 3.78Å; F146-F159 HydrophobicContact CE1-CD2 3.78Å; F146-F159 HydrophobicContact CE1-CE2 4.43Å; F146-F159 HydrophobicContact CE1-CG 4.31Å; F146-F159 HydrophobicContact CE2-CD1 4.46Å; F146-F159 AromaticContact CE2-CD2 3.39Å; F146-F159 HydrophobicContact CE2-CD2 3.39Å; F146-F159 HydrophobicContact CE2-CE1 4.37Å; F146-F159 AromaticContact CE2-CE2 3.28Å; F146-F159 HydrophobicContact CE2-CE2 3.28Å; F146-F159 HydrophobicContact CE2-CG 4.02Å; F146-F159 AromaticContact CE2-CZ 3.81Å; F146-F159 HydrophobicContact CE2-CZ 3.81Å; F146-F159 HydrophobicContact CG-CB 3.77Å; F146-F159 AromaticContact CG-CD1 3.99Å; F146-F159 HydrophobicContact CG-CD1 3.99Å; F146-F159 AromaticContact CG-CD2 3.72Å; F146-F159 HydrophobicContact CG-CD2 3.72Å; F146-F159 HydrophobicContact CG-CE2 4.33Å; F146-F159 AromaticContact CG-CG 3.52Å; F146-F159 HydrophobicContact CG-CG 3.52Å; F146-F159 AromaticContact CZ-CD2 3.54Å; F146-F159 HydrophobicContact CZ-CD2 3.54Å; F146-F159 AromaticContact CZ-CE2 3.73Å; F146-F159 HydrophobicContact CZ-CE2 3.73Å; F146-F159 HydrophobicContact CZ-CG 4.35Å; F146-K166 PolarHBondContact N-O 3.46Å; F146-T167 HydrophobicContact CB-CG2 4.45Å; F146-T167 HydrophobicContact CD1-CG2 4.49Å; F146-T167 CarbonylContact O-C 3.6Å; F146-T167 WeakPolarHBondContact O-CA 3.49Å; F146-A168 PolarHBondContact O-N 2.81Å
147	I	98.3	Very high	94.3	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	115.8	179.9	-50.5	-173.8	0	0	0	110.2	V40 A41 F42 F43 I145 T149 A168 F458 F462	V40-I147 HydrophobicContact CG1-CD1 3.69Å; V40-I147 HydrophobicContact CG1-CG1 4.06Å; A41-I147 PolarHBondContact O-N 3.44Å; F42-I147 CarbonylContact C-O 3.51Å; F42-I147 VanDerWaalsContact CA-O 3.31Å; F42-I147 WeakPolarHBondContact CA-O 3.41Å; F42-I147 HydrophobicContact CD1-CB 3.84Å; F42-I147 HydrophobicContact CD1-CD1 4.42Å; F42-I147 HydrophobicContact CD1-CG2 3.99Å; F42-I147 HydrophobicContact CE1-CB 4.03Å; F42-I147 HydrophobicContact CE1-CD1 3.76Å; F42-I147 HydrophobicContact CE1-CG1 4.4Å; F42-I147 HydrophobicContact CE1-CG2 4.01Å; F42-I147 HydrophobicContact CG-CB 4.47Å; F42-I147 HydrophobicContact CZ-CD1 3.88Å; F43-I147 PolarHBondContact N-O 3.43Å; I145-I147 HydrophobicContact CG2-CG1 4.13Å; I147-T149 HydrophobicContact CG2-CG2 3.86Å; I147-A168 CarbonylContact C-O 3.43Å; I147-A168 VanDerWaalsContact CA-O 3.28Å; I147-A168 WeakPolarHBondContact CA-O 3.43Å; I147-A168 HydrophobicContact CG1-CB 4.32Å; I147-A168 HydrophobicContact CG2-CB 4.44Å; I147-F458 HydrophobicContact CD1-CE2 4.48Å; I147-F458 HydrophobicContact CD1-CZ 4.02Å; I147-F462 HydrophobicContact CD1-CD2 4.16Å; I147-F462 HydrophobicContact CD1-CE2 4.22Å
148	E	97.4	Very high	94.1	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.009	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	127.3	175.9	-157.3	-67.3	129.8	0	0	110.2	F146 T150 G151 F152 T155 L156 A168 C169 Y170	F146-E148 HydrophobicContact CE1-CB 4.04Å; F146-E148 HydrophobicContact CE1-CG 4.5Å; E148-T150 WeakPolarHBondContact OE1-CA 3.38Å; E148-T150 WeakPolarHBondContact OE1-CB 3.49Å; E148-T150 PolarHBondContact OE1-N 2.74Å; E148-T150 PolarHBondContact OE1-OG1 3.13Å; E148-G151 VanDerWaalsContact CD-N 3.31Å; E148-G151 PolarHBondContact OE1-N 3.24Å; E148-G151 WeakPolarHBondContact OE2-CA 3.28Å; E148-G151 PolarHBondContact OE2-N 2.97Å; E148-F152 VanDerWaalsContact CD-N 3.29Å; E148-F152 PolarHBondContact OE1-N 2.81Å; E148-F152 PolarHBondContact OE2-N 3.12Å; E148-T155 WeakPolarHBondContact CG-OG1 3.33Å; E148-L156 HydrophobicContact CB-CD2 3.73Å; E148-L156 HydrophobicContact CB-CG 4Å; E148-L156 HydrophobicContact CG-CG 4.48Å; E148-A168 PolarHBondContact N-O 3.19Å; E148-C169 HydrophobicContact CB-CB 4.1Å; E148-C169 CarbonylContact O-C 3.6Å; E148-C169 WeakPolarHBondContact O-CA 3.31Å; E148-Y170 PolarHBondContact O-N 3.07Å
149	T	96.3	Very high	94.2	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.018	10%	0.104	C	C	.	.			trans	-132.1	12	-172.1	51.7	0	0	0	0	113.9	F42 F43 H44 I147	F42-T149 HydrophobicContact CD1-CG2 4.07Å; F43-T149 PolarHBondContact O-N 2.78Å; F43-T149 PolarHBondContact O-OG1 2.79Å; F43-T149 VanDerWaalsContact O-OG1 3.07Å; H44-T149 PolarHBondContact CE1-O 3.15Å; H44-T149 PolarHBondContact ND1-OG1 3.31Å; I147-T149 HydrophobicContact CG2-CG2 3.86Å
150	T	92.2	Very high	94.2	Very high	22 Å²	22	17.7 Å²	17.7	14%	0.135	9%	0.085	C	C	.	.	S	Bend	trans	-122.2	-12	-174.1	52.6	0	0	0	0	114.6	H44 E148 F152	H44-T150 HydrophobicContact CB-CG2 4.14Å; E148-T150 WeakPolarHBondContact OE1-CA 3.38Å; E148-T150 WeakPolarHBondContact OE1-CB 3.49Å; E148-T150 PolarHBondContact OE1-N 2.74Å; E148-T150 PolarHBondContact OE1-OG1 3.13Å; T150-F152 WeakPolarHBondContact OG1-CD2 3.13Å
151	G	88.7	Confident	93.9	Very high	8 Å²	8	16.3 Å²	16.3	8%	0.082	8%	0.081	C	C	.	.	S	Bend	trans	101.7	9	179.1	0	0	0	0	0	114.9	E148 A153 T175	E148-G151 VanDerWaalsContact CD-N 3.31Å; E148-G151 PolarHBondContact OE1-N 3.24Å; E148-G151 WeakPolarHBondContact OE2-CA 3.28Å; E148-G151 PolarHBondContact OE2-N 2.97Å; G151-A153 PolarHBondContact O-N 3Å; G151-T175 PolarHBondContact O-OG1 3.04Å
152	F	91.8	Very high	93.6	Very high	35 Å²	35	16.7 Å²	16.7	15%	0.154	8%	0.084	C	C	.	.			trans	-93.4	71.3	176.2	-65	-73.5	0	0	0	111.5	F43 L113 Q126 E148 T150 T154 T155	F43-F152 HydrophobicContact CE1-CB 4.31Å; F43-F152 HydrophobicContact CE1-CD2 4Å; L113-F152 HydrophobicContact CB-CE1 4.12Å; L113-F152 HydrophobicContact CB-CE2 4.22Å; L113-F152 HydrophobicContact CB-CZ 3.7Å; L113-F152 HydrophobicContact CD1-CD2 4.2Å; L113-F152 HydrophobicContact CD1-CE2 3.93Å; L113-F152 HydrophobicContact CD1-CZ 4.21Å; L113-F152 HydrophobicContact CD2-CD1 4Å; L113-F152 HydrophobicContact CD2-CE1 3.87Å; L113-F152 HydrophobicContact CD2-CE2 4.49Å; L113-F152 HydrophobicContact CD2-CG 4.39Å; L113-F152 HydrophobicContact CD2-CZ 4.14Å; L113-F152 HydrophobicContact CG-CE1 4.44Å; L113-F152 HydrophobicContact CG-CE2 4.45Å; L113-F152 HydrophobicContact CG-CZ 4.23Å; Q126-F152 HydrophobicContact CB-CE1 4.43Å; E148-F152 VanDerWaalsContact CD-N 3.29Å; E148-F152 PolarHBondContact OE1-N 2.81Å; E148-F152 PolarHBondContact OE2-N 3.12Å; T150-F152 WeakPolarHBondContact OG1-CD2 3.13Å; F152-T154 PolarHBondContact O-N 3.37Å; F152-T155 HydrophobicContact CB-CG2 4.07Å; F152-T155 WeakPolarHBondContact O-CB 3.28Å; F152-T155 PolarHBondContact O-N 3.1Å; F152-T155 PolarHBondContact O-OG1 3.04Å
153	A	91.6	Very high	93.4	Very high	4 Å²	4	14.6 Å²	14.6	3%	0.033	8%	0.075	C	C	.	.	H	α-helix	trans	-58.9	-18.9	-175.7	0	0	0	0	0	114.6	G151 T155 L156 Y218 W244	G151-A153 PolarHBondContact O-N 3Å; A153-T155 PolarHBondContact O-N 2.95Å; A153-L156 HydrophobicContact CB-CD1 4.24Å; A153-L156 VanDerWaalsContact O-CB 3.3Å; A153-L156 WeakPolarHBondContact O-CB 3.44Å; A153-L156 PolarHBondContact O-N 2.68Å; A153-Y218 HydrophobicContact CB-CD2 4.11Å; A153-Y218 HydrophobicContact CB-CE2 3.58Å; A153-W244 HydrophobicContact CB-CH2 3.93Å; A153-W244 HydrophobicContact CB-CZ2 3.69Å
154	T	93	Very high	93.1	Very high	8 Å²	8	16 Å²	16	5%	0.049	9%	0.089	C	C	.	.	H	α-helix	trans	-65.1	-26.6	174.4	51.9	0	0	0	0	112.7	S127 G130 F131 F152 L156 C157 V158 L221	S127-T154 WeakPolarHBondContact O-CB 3.44Å; S127-T154 WeakPolarHBondContact O-CG2 3.21Å; S127-T154 PolarHBondContact O-OG1 2.84Å; G130-T154 WeakPolarHBondContact CA-OG1 3.48Å; F131-T154 HydrophobicContact CD2-CG2 3.7Å; F131-T154 VanDerWaalsContact CE2-CB 3.49Å; F131-T154 HydrophobicContact CE2-CG2 3.31Å; F131-T154 HydrophobicContact CZ-CG2 3.97Å; F152-T154 PolarHBondContact O-N 3.37Å; T154-L156 VanDerWaalsContact C-N 3.33Å; T154-L156 PolarHBondContact O-N 3.29Å; T154-C157 VanDerWaalsContact O-CB 3.29Å; T154-C157 WeakPolarHBondContact O-CB 3.33Å; T154-C157 PolarHBondContact O-N 3.2Å; T154-C157 VanDerWaalsContact O-N 3.17Å; T154-V158 PolarHBondContact O-N 3.02Å; T154-L221 HydrophobicContact CG2-CD1 3.95Å
155	T	95.9	Very high	93	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-65.1	-35.6	173.2	62.6	0	0	0	0	111.9	F43 G130 E148 F152 A153 C157 V158 F159	F43-T155 HydrophobicContact CD1-CG2 4.18Å; F43-T155 HydrophobicContact CD2-CG2 4.38Å; F43-T155 HydrophobicContact CE1-CG2 3.92Å; F43-T155 HydrophobicContact CE2-CG2 4.14Å; F43-T155 HydrophobicContact CG-CG2 4.4Å; F43-T155 HydrophobicContact CZ-CG2 3.9Å; G130-T155 WeakPolarHBondContact O-CG2 3.32Å; E148-T155 WeakPolarHBondContact CG-OG1 3.33Å; F152-T155 HydrophobicContact CB-CG2 4.07Å; F152-T155 WeakPolarHBondContact O-CB 3.28Å; F152-T155 PolarHBondContact O-N 3.1Å; F152-T155 PolarHBondContact O-OG1 3.04Å; A153-T155 PolarHBondContact O-N 2.95Å; T155-C157 PolarHBondContact O-N 3.39Å; T155-V158 WeakPolarHBondContact O-CB 3.41Å; T155-V158 PolarHBondContact O-N 2.66Å; T155-V158 VanDerWaalsContact O-N 3.08Å; T155-F159 WeakPolarHBondContact O-CD2 3.34Å; T155-F159 PolarHBondContact O-N 2.79Å; T155-F159 VanDerWaalsContact O-N 3.07Å
156	L	96.2	Very high	93	Very high	1 Å²	1	17 Å²	17	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-57.3	-38.9	174	-61.5	165.3	0	0	0	110.7	F146 E148 A153 T154 F159 R160 A168 C169 A226 W244	F146-L156 HydrophobicContact CD1-CD2 3.99Å; F146-L156 HydrophobicContact CE1-CD2 3.97Å; E148-L156 HydrophobicContact CB-CD2 3.73Å; E148-L156 HydrophobicContact CB-CG 4Å; E148-L156 HydrophobicContact CG-CG 4.48Å; A153-L156 HydrophobicContact CB-CD1 4.24Å; A153-L156 VanDerWaalsContact O-CB 3.3Å; A153-L156 WeakPolarHBondContact O-CB 3.44Å; A153-L156 PolarHBondContact O-N 2.68Å; T154-L156 VanDerWaalsContact C-N 3.33Å; T154-L156 PolarHBondContact O-N 3.29Å; L156-F159 PolarHBondContact O-N 3.4Å; L156-R160 WeakPolarHBondContact O-CB 3.4Å; L156-R160 PolarHBondContact O-N 3.12Å; L156-A168 WeakPolarHBondContact CD2-O 3.45Å; L156-C169 HydrophobicContact CD1-CB 3.95Å; L156-C169 HydrophobicContact CD2-CB 4.24Å; L156-A226 HydrophobicContact CD1-CB 4.17Å; L156-W244 HydrophobicContact CD1-CH2 4Å; L156-W244 HydrophobicContact CD1-CZ3 4.41Å
157	C	92.8	Very high	92.9	Very high	10 Å²	10	17 Å²	17	7%	0.068	9%	0.093	C	C	.	.	H	α-helix	trans	-64.9	-41.1	178	-175.8	0	0	0	0	112.2	F131 T154 T155 L161 L221 S225	F131-C157 HydrophobicContact CE1-CB 3.71Å; F131-C157 HydrophobicContact CZ-CB 4.09Å; T154-C157 VanDerWaalsContact O-CB 3.29Å; T154-C157 WeakPolarHBondContact O-CB 3.33Å; T154-C157 PolarHBondContact O-N 3.2Å; T154-C157 VanDerWaalsContact O-N 3.17Å; T155-C157 PolarHBondContact O-N 3.39Å; C157-L161 VanDerWaalsContact O-CB 3.22Å; C157-L161 WeakPolarHBondContact O-CB 3.29Å; C157-L161 WeakPolarHBondContact O-CG 3.12Å; C157-L161 PolarHBondContact O-N 3.19Å; C157-L161 WeakPolarHBondContact SG-CD1 3.35Å; C157-L221 HydrophobicContact CB-CD2 3.93Å; C157-S225 WeakPolarHBondContact CA-OG 3.4Å
158	V	93.4	Very high	92.9	Very high	3 Å²	3	17.1 Å²	17.1	2%	0.018	9%	0.094	C	C	.	.	I	π-helix	trans	-57.6	-58.6	173.4	171.5	0	0	0	0	109.5	F131 G134 L135 L138 T154 T155 R160 L162	F131-V158 HydrophobicContact CD1-CG2 3.77Å; G134-V158 VanDerWaalsContact C-CG1 3.44Å; G134-V158 VanDerWaalsContact O-CG1 3.28Å; G134-V158 WeakPolarHBondContact O-CG1 3.3Å; L135-V158 HydrophobicContact CD2-CG1 4.21Å; L135-V158 HydrophobicContact CG-CG1 4.49Å; L135-V158 HydrophobicContact CG-CG2 4.44Å; L138-V158 HydrophobicContact CB-CG1 4.04Å; L138-V158 HydrophobicContact CD2-CG1 3.91Å; T154-V158 PolarHBondContact O-N 3.02Å; T155-V158 WeakPolarHBondContact O-CB 3.41Å; T155-V158 PolarHBondContact O-N 2.66Å; T155-V158 VanDerWaalsContact O-N 3.08Å; V158-R160 PolarHBondContact O-N 2.88Å; V158-L162 HydrophobicContact CB-CD1 4.4Å; V158-L162 HydrophobicContact CG1-CD1 3.89Å; V158-L162 WeakPolarHBondContact O-CA 3.38Å; V158-L162 WeakPolarHBondContact O-CB 3.29Å; V158-L162 VanDerWaalsContact O-CG 3.25Å; V158-L162 WeakPolarHBondContact O-CG 3.45Å; V158-L162 PolarHBondContact O-N 3Å
159	F	94.9	Very high	92.9	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.093	C	C	.	.	I	π-helix	trans	-66.6	-37.7	-175.7	-77.3	-88	0	0	0	113.3	Y75 A137 L138 P143 F146 T155 L156 L163 G164 T167	Y75-F159 HydrophobicContact CE2-CE1 4.36Å; Y75-F159 AromaticContact CE2-CZ 3.83Å; Y75-F159 HydrophobicContact CE2-CZ 3.83Å; Y75-F159 AromaticContact CZ-CZ 3.75Å; Y75-F159 WeakPolarHBondContact OH-CE1 3.29Å; Y75-F159 WeakPolarHBondContact OH-CZ 3.28Å; A137-F159 HydrophobicContact CB-CE2 4.13Å; A137-F159 HydrophobicContact CB-CZ 3.93Å; L138-F159 HydrophobicContact CB-CE1 4.11Å; L138-F159 HydrophobicContact CB-CZ 3.99Å; L138-F159 HydrophobicContact CD1-CD1 3.88Å; L138-F159 HydrophobicContact CD1-CE1 3.7Å; L138-F159 HydrophobicContact CD1-CZ 4.44Å; P143-F159 VanDerWaalsContact CD-CE1 3.5Å; P143-F159 HydrophobicContact CG-CD1 3.94Å; P143-F159 HydrophobicContact CG-CE1 3.88Å; F146-F159 HydrophobicContact CB-CB 3.9Å; F146-F159 HydrophobicContact CB-CD1 4.08Å; F146-F159 HydrophobicContact CB-CG 3.93Å; F146-F159 HydrophobicContact CD1-CB 3.84Å; F146-F159 AromaticContact CD1-CD2 3.86Å; F146-F159 HydrophobicContact CD1-CD2 3.86Å; F146-F159 AromaticContact CD1-CG 3.91Å; F146-F159 HydrophobicContact CD1-CG 3.91Å; F146-F159 HydrophobicContact CD2-CB 4.35Å; F146-F159 AromaticContact CD2-CD1 3.82Å; F146-F159 HydrophobicContact CD2-CD1 3.82Å; F146-F159 AromaticContact CD2-CD2 3.49Å; F146-F159 HydrophobicContact CD2-CD2 3.49Å; F146-F159 VanDerWaalsContact CD2-CD2 3.49Å; F146-F159 AromaticContact CD2-CE1 3.95Å; F146-F159 HydrophobicContact CD2-CE1 3.95Å; F146-F159 AromaticContact CD2-CE2 3.64Å; F146-F159 HydrophobicContact CD2-CE2 3.64Å; F146-F159 AromaticContact CD2-CG 3.6Å; F146-F159 HydrophobicContact CD2-CG 3.6Å; F146-F159 AromaticContact CD2-CZ 3.86Å; F146-F159 HydrophobicContact CD2-CZ 3.86Å; F146-F159 HydrophobicContact CE1-CB 4.46Å; F146-F159 AromaticContact CE1-CD2 3.78Å; F146-F159 HydrophobicContact CE1-CD2 3.78Å; F146-F159 HydrophobicContact CE1-CE2 4.43Å; F146-F159 HydrophobicContact CE1-CG 4.31Å; F146-F159 HydrophobicContact CE2-CD1 4.46Å; F146-F159 AromaticContact CE2-CD2 3.39Å; F146-F159 HydrophobicContact CE2-CD2 3.39Å; F146-F159 HydrophobicContact CE2-CE1 4.37Å; F146-F159 AromaticContact CE2-CE2 3.28Å; F146-F159 HydrophobicContact CE2-CE2 3.28Å; F146-F159 HydrophobicContact CE2-CG 4.02Å; F146-F159 AromaticContact CE2-CZ 3.81Å; F146-F159 HydrophobicContact CE2-CZ 3.81Å; F146-F159 HydrophobicContact CG-CB 3.77Å; F146-F159 AromaticContact CG-CD1 3.99Å; F146-F159 HydrophobicContact CG-CD1 3.99Å; F146-F159 AromaticContact CG-CD2 3.72Å; F146-F159 HydrophobicContact CG-CD2 3.72Å; F146-F159 HydrophobicContact CG-CE2 4.33Å; F146-F159 AromaticContact CG-CG 3.52Å; F146-F159 HydrophobicContact CG-CG 3.52Å; F146-F159 AromaticContact CZ-CD2 3.54Å; F146-F159 HydrophobicContact CZ-CD2 3.54Å; F146-F159 AromaticContact CZ-CE2 3.73Å; F146-F159 HydrophobicContact CZ-CE2 3.73Å; F146-F159 HydrophobicContact CZ-CG 4.35Å; T155-F159 WeakPolarHBondContact O-CD2 3.34Å; T155-F159 PolarHBondContact O-N 2.79Å; T155-F159 VanDerWaalsContact O-N 3.07Å; L156-F159 PolarHBondContact O-N 3.4Å; F159-L163 HydrophobicContact CD1-CD2 4.12Å; F159-L163 WeakPolarHBondContact O-CA 3.31Å; F159-L163 VanDerWaalsContact O-CB 3.26Å; F159-L163 WeakPolarHBondContact O-CB 3.4Å; F159-L163 PolarHBondContact O-N 3.14Å; F159-G164 PolarHBondContact O-N 3.44Å; F159-T167 HydrophobicContact CB-CG2 4.38Å
160	R	93.5	Very high	93	Very high	71 Å²	71	17 Å²	17	27%	0.268	9%	0.093	S	C	.	.	I	π-helix	trans	-72.9	-51.2	178.4	-177	57.7	176.7	-150.5	-7	112.9	L156 V158 G164 T167 D227	L156-R160 WeakPolarHBondContact O-CB 3.4Å; L156-R160 PolarHBondContact O-N 3.12Å; V158-R160 PolarHBondContact O-N 2.88Å; R160-G164 VanDerWaalsContact O-CA 3.23Å; R160-G164 WeakPolarHBondContact O-CA 3.42Å; R160-G164 PolarHBondContact O-N 3.17Å; R160-G164 VanDerWaalsContact O-N 3.16Å; R160-T167 HydrophobicContact CB-CG2 3.88Å; R160-D227 IonicContact CZ-OD1 3.2Å; R160-D227 IonicContact CZ-OD2 3.78Å; R160-D227 IonicContact NH1-OD1 2.79Å; R160-D227 PolarHBondContact NH1-OD1 2.67Å; R160-D227 IonicContact NH1-OD2 2.89Å; R160-D227 PolarHBondContact NH1-OD2 3.18Å; R160-D227 IonicContact NH2-OD1 3.24Å; R160-D227 PolarHBondContact NH2-OD1 3.28Å
161	L	87.7	Confident	93.2	Very high	77 Å²	77	16 Å²	16	40%	0.403	9%	0.087	S	C	.	.	I	π-helix	trans	-79.4	-31.5	-173.3	-60.3	-169.8	0	0	0	112	R28 C157	R28-L161 PolarHBondContact NH2-O 3.28Å; C157-L161 VanDerWaalsContact O-CB 3.22Å; C157-L161 WeakPolarHBondContact O-CB 3.29Å; C157-L161 WeakPolarHBondContact O-CG 3.12Å; C157-L161 PolarHBondContact O-N 3.19Å; C157-L161 WeakPolarHBondContact SG-CD1 3.35Å
162	L	87.6	Confident	93.4	Very high	35 Å²	35	17.1 Å²	17.1	18%	0.183	9%	0.09	C	C	.	.	I	π-helix	trans	-90.9	-54	-176	-53.4	-170.2	0	0	0	110.6	L24 R28 L135 L138 V158	L24-L162 HydrophobicContact CD1-CD2 3.55Å; L24-L162 HydrophobicContact CD2-CB 3.42Å; L24-L162 VanDerWaalsContact CD2-CB 3.42Å; L24-L162 HydrophobicContact CD2-CD1 3.96Å; L24-L162 HydrophobicContact CD2-CD2 3.69Å; L24-L162 HydrophobicContact CD2-CG 3.85Å; L24-L162 HydrophobicContact CG-CD2 4.24Å; R28-L162 WeakPolarHBondContact CG-O 3.34Å; R28-L162 PolarHBondContact NE-O 3.01Å; L135-L162 HydrophobicContact CD2-CD1 3.31Å; L138-L162 HydrophobicContact CD2-CB 3.68Å; L138-L162 HydrophobicContact CD2-CD1 4.25Å; V158-L162 HydrophobicContact CB-CD1 4.4Å; V158-L162 HydrophobicContact CG1-CD1 3.89Å; V158-L162 WeakPolarHBondContact O-CA 3.38Å; V158-L162 WeakPolarHBondContact O-CB 3.29Å; V158-L162 VanDerWaalsContact O-CG 3.25Å; V158-L162 WeakPolarHBondContact O-CG 3.45Å; V158-L162 PolarHBondContact O-N 3Å
163	L	88.5	Confident	93.2	Very high	7 Å²	7	20.9 Å²	20.9	4%	0.037	10%	0.104	C	C	.	.	I	π-helix	trans	-85.1	-30.2	-178.6	-171.7	60.1	0	0	0	113.8	L138 Q142 P143 F159 C165	L138-L163 HydrophobicContact CD1-CB 3.68Å; L138-L163 HydrophobicContact CD1-CD1 4.2Å; L138-L163 HydrophobicContact CD1-CD2 3.69Å; L138-L163 HydrophobicContact CD1-CG 4.06Å; Q142-L163 HydrophobicContact CB-CD1 4.06Å; Q142-L163 HydrophobicContact CB-CD2 3.94Å; Q142-L163 HydrophobicContact CG-CD1 4.01Å; Q142-L163 HydrophobicContact CG-CD2 4.35Å; P143-L163 WeakPolarHBondContact O-CD2 3.2Å; F159-L163 HydrophobicContact CD1-CD2 4.12Å; F159-L163 WeakPolarHBondContact O-CA 3.31Å; F159-L163 VanDerWaalsContact O-CB 3.26Å; F159-L163 WeakPolarHBondContact O-CB 3.4Å; F159-L163 PolarHBondContact O-N 3.14Å; L163-C165 VanDerWaalsContact C-N 3.26Å; L163-C165 HydrophobicContact CD2-CB 3.89Å; L163-C165 HydrophobicContact CG-CB 4.13Å; L163-C165 PolarHBondContact O-N 3.17Å
164	G	88.8	Confident	93.2	Very high	31 Å²	31	21 Å²	21	32%	0.32	10%	0.104	S	C	.	.			trans	72.9	17.5	-174.2	0	0	0	0	0	113.7	F159 R160	F159-G164 PolarHBondContact O-N 3.44Å; R160-G164 VanDerWaalsContact O-CA 3.23Å; R160-G164 WeakPolarHBondContact O-CA 3.42Å; R160-G164 PolarHBondContact O-N 3.17Å; R160-G164 VanDerWaalsContact O-N 3.16Å
165	C	91.1	Very high	93	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.109	C	C	.	.			trans	-73.5	167.4	175.8	75.2	0	0	0	0	111.3	P143 D144 L163	P143-C165 WeakPolarHBondContact O-CB 3.25Å; D144-C165 WeakPolarHBondContact O-CB 3.5Å; L163-C165 VanDerWaalsContact C-N 3.26Å; L163-C165 HydrophobicContact CD2-CB 3.89Å; L163-C165 HydrophobicContact CG-CB 4.13Å; L163-C165 PolarHBondContact O-N 3.17Å
166	K	94.4	Very high	92.7	Very high	40 Å²	40	21.7 Å²	21.7	17%	0.174	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	145.7	171	-62.5	-68.9	173.8	177.5	0	108.9	D144 I145 F146 D227 L465 L468 Q469	D144-K166 PolarHBondContact O-N 3.21Å; I145-K166 WeakPolarHBondContact CA-O 3.45Å; I145-K166 HydrophobicContact CG1-CB 4.22Å; F146-K166 PolarHBondContact N-O 3.46Å; K166-D227 WeakPolarHBondContact CA-OD2 3.41Å; K166-L465 HydrophobicContact CB-CD1 4.07Å; K166-L465 HydrophobicContact CB-CG 4.19Å; K166-L465 HydrophobicContact CD-CD1 4.48Å; K166-L468 WeakPolarHBondContact CE-O 3.37Å; K166-L468 PolarHBondContact NZ-O 3.15Å; K166-Q469 PolarHBondContact NZ-OXT 3.05Å
167	T	97.2	Very high	92.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	132.1	-170.8	51.1	0	0	0	0	111.5	F146 F159 R160 S225 D227 T228	F146-T167 HydrophobicContact CB-CG2 4.45Å; F146-T167 HydrophobicContact CD1-CG2 4.49Å; F146-T167 CarbonylContact O-C 3.6Å; F146-T167 WeakPolarHBondContact O-CA 3.49Å; F159-T167 HydrophobicContact CB-CG2 4.38Å; R160-T167 HydrophobicContact CB-CG2 3.88Å; T167-S225 VanDerWaalsContact CB-O 3.32Å; T167-S225 WeakPolarHBondContact CB-O 3.42Å; T167-S225 PolarHBondContact OG1-O 2.88Å; T167-D227 PolarHBondContact N-OD2 2.82Å; T167-D227 VanDerWaalsContact O-CB 3.29Å; T167-D227 WeakPolarHBondContact O-CB 3.45Å; T167-D227 PolarHBondContact O-N 3.29Å; T167-D227 PolarHBondContact OG1-N 3.07Å; T167-D227 VanDerWaalsContact OG1-N 3.15Å; T167-D227 PolarHBondContact OG1-OD2 3.41Å; T167-T228 PolarHBondContact O-N 3.27Å
168	A	97.8	Very high	92.1	Very high	2 Å²	2	22.6 Å²	22.6	2%	0.017	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	163	170	0	0	0	0	0	111.2	F146 I147 E148 L156 T228 M230 L465	F146-A168 PolarHBondContact O-N 2.81Å; I147-A168 CarbonylContact C-O 3.43Å; I147-A168 VanDerWaalsContact CA-O 3.28Å; I147-A168 WeakPolarHBondContact CA-O 3.43Å; I147-A168 HydrophobicContact CG1-CB 4.32Å; I147-A168 HydrophobicContact CG2-CB 4.44Å; E148-A168 PolarHBondContact N-O 3.19Å; L156-A168 WeakPolarHBondContact CD2-O 3.45Å; A168-T228 WeakPolarHBondContact CA-O 3.33Å; A168-T228 HydrophobicContact CB-CG2 4.45Å; A168-M230 HydrophobicContact CB-CE 4.34Å; A168-L465 HydrophobicContact CB-CD2 3.83Å
169	C	97.8	Very high	91.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	150.5	170.5	59.2	0	0	0	0	111.8	E148 L156 I171 T228 M230	E148-C169 HydrophobicContact CB-CB 4.1Å; E148-C169 CarbonylContact O-C 3.6Å; E148-C169 WeakPolarHBondContact O-CA 3.31Å; L156-C169 HydrophobicContact CD1-CB 3.95Å; L156-C169 HydrophobicContact CD2-CB 4.24Å; C169-I171 HydrophobicContact CB-CG1 4.37Å; C169-T228 PolarHBondContact N-O 2.63Å; C169-T228 VanDerWaalsContact N-O 3.17Å; C169-M230 WeakPolarHBondContact O-CB 3.28Å; C169-M230 PolarHBondContact O-N 2.75Å
170	Y	97.9	Very high	91.2	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.008	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	107.9	166.3	-171.1	-81	0	0	0	108.9	V56 E148 H172 M230 N232 V253 P255 F454	V56-Y170 HydrophobicContact CB-CE1 4.43Å; V56-Y170 HydrophobicContact CG1-CD1 3.65Å; V56-Y170 HydrophobicContact CG1-CD2 4.18Å; V56-Y170 HydrophobicContact CG1-CE1 3.86Å; V56-Y170 HydrophobicContact CG1-CE2 4.38Å; V56-Y170 HydrophobicContact CG1-CG 3.82Å; V56-Y170 HydrophobicContact CG2-CD1 4.43Å; V56-Y170 HydrophobicContact CG2-CE1 3.84Å; E148-Y170 PolarHBondContact O-N 3.07Å; Y170-H172 AromaticContact CD1-CD2 3.78Å; Y170-H172 AromaticContact CD1-CE1 3.87Å; Y170-H172 AromaticContact CD1-NE2 3.48Å; Y170-H172 WeakPolarHBondContact CD1-NE2 3.49Å; Y170-H172 AromaticContact CE1-CE1 3.55Å; Y170-H172 AromaticContact CE1-ND1 3.86Å; Y170-H172 AromaticContact CE1-NE2 3.67Å; Y170-M230 CarbonylContact C-O 3.55Å; Y170-M230 WeakPolarHBondContact CA-O 3.49Å; Y170-M230 HydrophobicContact CD2-CB 3.68Å; Y170-M230 HydrophobicContact CE2-CB 4.37Å; Y170-M230 HydrophobicContact CG-CB 4.42Å; Y170-N232 HydrophobicContact CE1-CB 3.86Å; Y170-N232 WeakPolarHBondContact OH-CA 3.33Å; Y170-N232 WeakPolarHBondContact OH-CB 3.46Å; Y170-V253 HydrophobicContact CE2-CB 4.04Å; Y170-V253 HydrophobicContact CE2-CG1 4.11Å; Y170-V253 VanDerWaalsContact CE2-O 3.23Å; Y170-V253 WeakPolarHBondContact CE2-O 3.44Å; Y170-V253 PolarHBondContact OH-O 2.71Å; Y170-P255 VanDerWaalsContact OH-CA 3.31Å; Y170-P255 WeakPolarHBondContact OH-CA 3.38Å; Y170-P255 VanDerWaalsContact OH-N 3.17Å; Y170-F454 HydrophobicContact CD2-CE2 4.2Å; Y170-F454 HydrophobicContact CE2-CD2 4.39Å; Y170-F454 AromaticContact CE2-CE2 3.69Å; Y170-F454 HydrophobicContact CE2-CE2 3.69Å
171	I	96.5	Very high	90.7	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.015	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	114.3	-173.6	-56.1	177.1	0	0	0	109.1	C169 Y173 I229 M230 V231 N232 T236 I240 W244	C169-I171 HydrophobicContact CB-CG1 4.37Å; I171-Y173 WeakPolarHBondContact CG2-O 3.42Å; I171-I229 HydrophobicContact CD1-CG2 4.17Å; I171-M230 PolarHBondContact N-O 3.37Å; I171-V231 HydrophobicContact CB-CG1 4.33Å; I171-N232 PolarHBondContact O-N 3.16Å; I171-N232 PolarHBondContact O-OD1 2.98Å; I171-T236 HydrophobicContact CB-CG2 4.34Å; I171-T236 HydrophobicContact CG2-CG2 3.88Å; I171-I240 HydrophobicContact CD1-CD1 3.59Å; I171-I240 HydrophobicContact CD1-CG1 3.92Å; I171-I240 HydrophobicContact CD1-CG2 4.36Å; I171-I240 HydrophobicContact CG2-CD1 4.25Å; I171-I240 HydrophobicContact CG2-CG1 4.39Å; I171-W244 HydrophobicContact CD1-CH2 3.63Å; I171-W244 HydrophobicContact CD1-CZ2 3.95Å; I171-W244 HydrophobicContact CD1-CZ3 4.04Å
172	H	92.3	Very high	90.5	Very high	30 Å²	30	23.9 Å²	23.9	14%	0.139	12%	0.123	C	C	.	.	S	Bend	trans	-79	-43.6	171.3	-66.8	-92.7	0	0	0	112	V56 Y170 N232 T236 H374	V56-H172 VanDerWaalsContact CG2-CE1 3.5Å; V56-H172 WeakPolarHBondContact CG2-CE1 3.41Å; Y170-H172 AromaticContact CD1-CD2 3.78Å; Y170-H172 AromaticContact CD1-CE1 3.87Å; Y170-H172 AromaticContact CD1-NE2 3.48Å; Y170-H172 WeakPolarHBondContact CD1-NE2 3.49Å; Y170-H172 AromaticContact CE1-CE1 3.55Å; Y170-H172 AromaticContact CE1-ND1 3.86Å; Y170-H172 AromaticContact CE1-NE2 3.67Å; H172-N232 WeakPolarHBondContact CA-ND2 3.46Å; H172-N232 VanDerWaalsContact O-CG 3.29Å; H172-N232 PolarHBondContact O-ND2 3.05Å; H172-N232 PolarHBondContact O-OD1 3.04Å; H172-N232 VanDerWaalsContact O-OD1 3.08Å; H172-T236 PolarHBondContact O-OG1 3.41Å; H172-H374 VanDerWaalsContact O-CB 3.31Å; H172-H374 WeakPolarHBondContact O-CB 2.92Å
173	Y	88.4	Confident	90.3	Very high	114 Å²	114	22.9 Å²	22.9	45%	0.447	12%	0.117	S	C	.	.	S	Bend	trans	-146.1	138.6	175.8	62.7	-86.7	0	0	0	108.3	I171 H374	I171-Y173 WeakPolarHBondContact CG2-O 3.42Å; Y173-H374 WeakPolarHBondContact CB-NE2 3.44Å
174	P	90.5	Very high	89.8	Confident	6 Å²	6	22.7 Å²	22.7	4%	0.039	12%	0.116	C	C	.	.			trans	-66.4	144.1	174.2	-19.7	33.6	0	0	0	111.2	I176 Y218 T236 H239 I240	P174-I176 VanDerWaalsContact CB-O 3.28Å; P174-I176 WeakPolarHBondContact CB-O 3.37Å; P174-I176 PolarHBondContact O-N 2.94Å; P174-Y218 HydrophobicContact CB-CE1 4.21Å; P174-T236 HydrophobicContact CG-CG2 4.26Å; P174-H239 HydrophobicContact CG-CB 4.03Å; P174-I240 HydrophobicContact CB-CD1 3.9Å; P174-I240 HydrophobicContact CG-CD1 3.89Å; P174-I240 HydrophobicContact CG-CG1 4.17Å
175	T	89	Confident	89.1	Confident	23 Å²	23	24 Å²	24	14%	0.141	12%	0.124	C	C	.	.	S	Bend	trans	-55.4	-34.6	171.5	-44.1	0	0	0	0	111.9	G151 Y218	G151-T175 PolarHBondContact O-OG1 3.04Å; T175-Y218 VanDerWaalsContact OG1-CE2 3.27Å; T175-Y218 WeakPolarHBondContact OG1-CE2 3.27Å
176	I	89.7	Confident	88.7	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-141.6	135.1	170.5	-175.7	162.5	0	0	0	108.7	P174 Y211 L214 A215 Y218 L243	P174-I176 VanDerWaalsContact CB-O 3.28Å; P174-I176 WeakPolarHBondContact CB-O 3.37Å; P174-I176 PolarHBondContact O-N 2.94Å; I176-Y211 HydrophobicContact CD1-CD1 3.98Å; I176-Y211 HydrophobicContact CD1-CG 4.01Å; I176-Y211 VanDerWaalsContact CD1-O 3.27Å; I176-Y211 WeakPolarHBondContact CD1-O 3.48Å; I176-L214 HydrophobicContact CD1-CB 4.26Å; I176-L214 HydrophobicContact CD1-CD2 4.1Å; I176-L214 HydrophobicContact CD1-CG 4.43Å; I176-A215 HydrophobicContact CD1-CB 3.99Å; I176-A215 HydrophobicContact CG1-CB 4.43Å; I176-A215 HydrophobicContact CG2-CB 4.25Å; I176-Y218 HydrophobicContact CG2-CD1 3.6Å; I176-Y218 HydrophobicContact CG2-CE1 4.31Å; I176-Y218 HydrophobicContact CG2-CG 3.85Å; I176-L243 WeakPolarHBondContact O-CD1 3.14Å
177	S	89.1	Confident	87.8	Confident	5 Å²	5	28.8 Å²	28.8	4%	0.035	15%	0.147	C	C	.	.			trans	-119.1	167.3	-178.7	65.1	0	0	0	0	111.6	D179 M180 L181	S177-D179 WeakPolarHBondContact CB-OD1 3.21Å; S177-D179 PolarHBondContact OG-OD1 2.91Å; S177-M180 PolarHBondContact O-N 2.83Å; S177-M180 VanDerWaalsContact OG-CG 3.28Å; S177-M180 WeakPolarHBondContact OG-CG 3.43Å; S177-L181 PolarHBondContact O-N 2.89Å
178	T	87.6	Confident	86.6	Confident	25 Å²	25	35.2 Å²	35.2	15%	0.153	17%	0.172	C	C	.	.	H	α-helix	trans	-78.4	-21.8	-176.5	67.4	0	0	0	0	113.7	L181 Q182 H239 K242 L243	T178-L181 WeakPolarHBondContact O-CB 3.48Å; T178-L181 PolarHBondContact O-N 2.93Å; T178-Q182 PolarHBondContact O-N 3.26Å; T178-Q182 VanDerWaalsContact O-N 3.1Å; T178-H239 PolarHBondContact N-ND1 2.83Å; T178-H239 PolarHBondContact OG1-CE1 3.44Å; T178-H239 PolarHBondContact OG1-ND1 3.09Å; T178-K242 HydrophobicContact CG2-CD 3.76Å; T178-K242 HydrophobicContact CG2-CG 4.12Å; T178-L243 HydrophobicContact CG2-CD1 4.36Å; T178-L243 HydrophobicContact CG2-CD2 4.08Å; T178-L243 HydrophobicContact CG2-CG 4.06Å
179	D	85	Confident	85.1	Confident	20 Å²	20	38.3 Å²	38.3	11%	0.107	19%	0.191	C	C	.	.	H	α-helix	trans	-72.2	-35.7	169.9	58.7	-53.8	0	0	0	111.7	S177 L181 Q182 M183 H239 W371 N372	S177-D179 WeakPolarHBondContact CB-OD1 3.21Å; S177-D179 PolarHBondContact OG-OD1 2.91Å; D179-L181 VanDerWaalsContact C-N 3.28Å; D179-L181 PolarHBondContact O-N 3.29Å; D179-Q182 PolarHBondContact O-N 2.89Å; D179-Q182 VanDerWaalsContact O-N 3.12Å; D179-M183 WeakPolarHBondContact O-CB 3.17Å; D179-M183 VanDerWaalsContact O-CG 3.27Å; D179-M183 WeakPolarHBondContact O-CG 3.38Å; D179-M183 PolarHBondContact O-N 2.53Å; D179-H239 IonicContact OD1-CE1 3.19Å; D179-H239 PolarHBondContact OD1-CE1 2.92Å; D179-H239 IonicContact OD1-ND1 2.98Å; D179-H239 IonicContact OD1-NE2 2.93Å; D179-H239 PolarHBondContact OD1-NE2 2.86Å; D179-W371 HydrophobicContact CB-CH2 4.42Å; D179-N372 PolarHBondContact OD2-ND2 3.49Å
180	M	85	Confident	84.1	Confident	23 Å²	23	40.4 Å²	40.4	11%	0.113	21%	0.206	C	C	.	.	H	α-helix	trans	-59	-40.5	171	-71.2	170.1	71.9	0	0	111.8	L123 S177 V184 Y211	L123-M180 HydrophobicContact CD1-CE 3.71Å; S177-M180 PolarHBondContact O-N 2.83Å; S177-M180 VanDerWaalsContact OG-CG 3.28Å; S177-M180 WeakPolarHBondContact OG-CG 3.43Å; M180-V184 WeakPolarHBondContact O-CG2 3.34Å; M180-V184 PolarHBondContact O-N 2.84Å; M180-Y211 HydrophobicContact CB-CD1 4.38Å; M180-Y211 HydrophobicContact CB-CE1 4.16Å; M180-Y211 HydrophobicContact CE-CE1 3.86Å
181	L	83.3	Confident	82.8	Confident	31 Å²	31	47.2 Å²	47.2	16%	0.162	23%	0.232	C	C	.	.	H	α-helix	trans	-63.4	-43.7	174.1	-72.9	166.8	0	0	0	111.7	S177 T178 D179 A185 L208 K212 A215	S177-L181 PolarHBondContact O-N 2.89Å; T178-L181 WeakPolarHBondContact O-CB 3.48Å; T178-L181 PolarHBondContact O-N 2.93Å; D179-L181 VanDerWaalsContact C-N 3.28Å; D179-L181 PolarHBondContact O-N 3.29Å; L181-A185 WeakPolarHBondContact O-CB 3.43Å; L181-A185 PolarHBondContact O-N 3.23Å; L181-L208 HydrophobicContact CD2-CD1 4.4Å; L181-K212 HydrophobicContact CD2-CG 4.07Å; L181-A215 HydrophobicContact CD1-CB 3.96Å
182	Q	83.7	Confident	81.6	Confident	105 Å²	105	49.3 Å²	49.3	49%	0.491	24%	0.244	S	C	.	.	H	α-helix	trans	-65.3	-44.6	179.2	-177.4	173.3	-4.8	0	0	111.6	T178 D179 V184 A185 E186	T178-Q182 PolarHBondContact O-N 3.26Å; T178-Q182 VanDerWaalsContact O-N 3.1Å; D179-Q182 PolarHBondContact O-N 2.89Å; D179-Q182 VanDerWaalsContact O-N 3.12Å; Q182-V184 VanDerWaalsContact C-N 3.34Å; Q182-V184 PolarHBondContact O-N 2.87Å; Q182-A185 WeakPolarHBondContact O-CB 3.44Å; Q182-A185 PolarHBondContact O-N 3.05Å; Q182-A185 VanDerWaalsContact O-N 3.12Å; Q182-E186 HydrophobicContact CG-CG 4.23Å; Q182-E186 VanDerWaalsContact CG-OE1 3.3Å; Q182-E186 WeakPolarHBondContact CG-OE1 3.05Å; Q182-E186 PolarHBondContact NE2-OE1 3.2Å; Q182-E186 WeakPolarHBondContact O-CB 3.33Å; Q182-E186 WeakPolarHBondContact O-CG 3.45Å; Q182-E186 PolarHBondContact O-N 3.4Å
183	M	83.8	Confident	80.9	Confident	13 Å²	13	47.9 Å²	47.9	6%	0.064	24%	0.237	C	C	.	.	H	α-helix	trans	-59.4	-42.2	178.1	-72.6	174.6	68.6	0	0	112.8	D179 E186 Q187 R188 W371	D179-M183 WeakPolarHBondContact O-CB 3.17Å; D179-M183 VanDerWaalsContact O-CG 3.27Å; D179-M183 WeakPolarHBondContact O-CG 3.38Å; D179-M183 PolarHBondContact O-N 2.53Å; M183-E186 PolarHBondContact O-N 3.17Å; M183-Q187 PolarHBondContact O-N 3.4Å; M183-Q187 VanDerWaalsContact O-N 3.15Å; M183-R188 PolarHBondContact O-N 2.78Å; M183-W371 HydrophobicContact CE-CZ3 4.33Å; M183-W371 HydrophobicContact CG-CH2 4.1Å; M183-W371 HydrophobicContact SD-CH2 3.51Å; M183-W371 VanDerWaalsContact SD-CH2 3.51Å; M183-W371 HydrophobicContact SD-CZ3 3.5Å; M183-W371 VanDerWaalsContact SD-CZ3 3.5Å
184	V	76.3	Confident	80.2	Confident	3 Å²	3	46.5 Å²	46.5	2%	0.018	24%	0.237	C	C	.	.	H	α-helix	trans	-68.1	-39.6	176	175.9	0	0	0	0	110.8	M180 Q182 E186 Q187 K207 L208 Y211	M180-V184 WeakPolarHBondContact O-CG2 3.34Å; M180-V184 PolarHBondContact O-N 2.84Å; Q182-V184 VanDerWaalsContact C-N 3.34Å; Q182-V184 PolarHBondContact O-N 2.87Å; V184-E186 VanDerWaalsContact C-N 3.32Å; V184-E186 PolarHBondContact O-N 2.99Å; V184-Q187 PolarHBondContact O-N 2.8Å; V184-K207 HydrophobicContact CG1-CB 4.01Å; V184-K207 HydrophobicContact CG1-CD 4.18Å; V184-K207 HydrophobicContact CG1-CG 3.89Å; V184-K207 HydrophobicContact CG2-CD 4.08Å; V184-K207 HydrophobicContact CG2-CG 4.29Å; V184-L208 HydrophobicContact CG1-CB 4.01Å; V184-L208 HydrophobicContact CG1-CD1 4.5Å; V184-Y211 HydrophobicContact CG2-CD1 4.04Å; V184-Y211 HydrophobicContact CG2-CE1 3.92Å
185	A	75.3	Confident	79.2	Confident	58 Å²	58	52 Å²	52	48%	0.479	26%	0.263	S	S	.	.	H	α-helix	trans	-65.3	-34.8	176.5	0	0	0	0	0	112.8	L181 Q182 Q187 L208	L181-A185 WeakPolarHBondContact O-CB 3.43Å; L181-A185 PolarHBondContact O-N 3.23Å; Q182-A185 WeakPolarHBondContact O-CB 3.44Å; Q182-A185 PolarHBondContact O-N 3.05Å; Q182-A185 VanDerWaalsContact O-N 3.12Å; A185-Q187 VanDerWaalsContact C-N 3.32Å; A185-L208 HydrophobicContact CB-CD1 4.17Å; A185-L208 HydrophobicContact CB-CD2 4.14Å
186	E	81.4	Confident	78.3	Confident	75 Å²	75	60.4 Å²	60.4	35%	0.35	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	0.1	177.9	-68.5	173.7	173.1	0	0	113.5	Q182 M183 V184 R188	Q182-E186 HydrophobicContact CG-CG 4.23Å; Q182-E186 VanDerWaalsContact CG-OE1 3.3Å; Q182-E186 WeakPolarHBondContact CG-OE1 3.05Å; Q182-E186 PolarHBondContact NE2-OE1 3.2Å; Q182-E186 WeakPolarHBondContact O-CB 3.33Å; Q182-E186 WeakPolarHBondContact O-CG 3.45Å; Q182-E186 PolarHBondContact O-N 3.4Å; M183-E186 PolarHBondContact O-N 3.17Å; V184-E186 VanDerWaalsContact C-N 3.32Å; V184-E186 PolarHBondContact O-N 2.99Å; E186-R188 HydrophobicContact CB-CG 3.99Å; E186-R188 PolarHBondContact O-N 2.86Å; E186-R188 IonicContact OE1-NH2 2.82Å; E186-R188 WeakPolarHBondContact OE2-CD 3.47Å; E186-R188 IonicContact OE2-CZ 3.38Å; E186-R188 IonicContact OE2-NE 2.63Å; E186-R188 PolarHBondContact OE2-NE 2.81Å; E186-R188 IonicContact OE2-NH1 2.78Å; E186-R188 PolarHBondContact OE2-NH1 3.24Å; E186-R188 IonicContact OE2-NH2 2.71Å; E186-R188 PolarHBondContact OE2-NH2 3.32Å; E186-R188 VanDerWaalsContact OE2-NH2 3.13Å
187	Q	75.8	Confident	77.2	Confident	67 Å²	67	62 Å²	62	31%	0.313	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	33.5	-176.6	-58.2	-176.1	-101.5	0	0	113.3	M183 V184 A185 P189 A198	M183-Q187 PolarHBondContact O-N 3.4Å; M183-Q187 VanDerWaalsContact O-N 3.15Å; V184-Q187 PolarHBondContact O-N 2.8Å; A185-Q187 VanDerWaalsContact C-N 3.32Å; Q187-P189 WeakPolarHBondContact O-CD 3.45Å; Q187-A198 WeakPolarHBondContact CB-O 3.41Å; Q187-A198 PolarHBondContact NE2-O 3.25Å
188	R	72.5	Confident	76	Confident	135 Å²	135	61.9 Å²	61.9	51%	0.509	30%	0.301	S	S	.	.			trans	-83	120.6	179.7	-72.1	-173.5	-177.2	164.1	11.8	111.6	M183 E186 N193	M183-R188 PolarHBondContact O-N 2.78Å; E186-R188 HydrophobicContact CB-CG 3.99Å; E186-R188 PolarHBondContact O-N 2.86Å; E186-R188 IonicContact OE1-NH2 2.82Å; E186-R188 WeakPolarHBondContact OE2-CD 3.47Å; E186-R188 IonicContact OE2-CZ 3.38Å; E186-R188 IonicContact OE2-NE 2.63Å; E186-R188 PolarHBondContact OE2-NE 2.81Å; E186-R188 IonicContact OE2-NH1 2.78Å; E186-R188 PolarHBondContact OE2-NH1 3.24Å; E186-R188 IonicContact OE2-NH2 2.71Å; E186-R188 PolarHBondContact OE2-NH2 3.32Å; E186-R188 VanDerWaalsContact OE2-NH2 3.13Å; R188-N193 PolarHBondContact O-ND2 3.31Å
189	P	67.4	Low	75.5	Confident	67 Å²	67	66.5 Å²	66.5	44%	0.435	33%	0.325	S	S	.	.			trans	-61.4	144.4	172.1	-25	36.4	0	0	0	113	Q187 N193 E195 A198	Q187-P189 WeakPolarHBondContact O-CD 3.45Å; P189-N193 WeakPolarHBondContact CA-O 3.41Å; P189-E195 HydrophobicContact CB-CG 3.57Å; P189-E195 HydrophobicContact CG-CG 3.89Å; P189-A198 HydrophobicContact CG-CB 4.19Å
190	S	75.9	Confident	75.2	Confident	43 Å²	43	68.7 Å²	68.7	30%	0.301	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-162.9	173.8	174.2	-168.6	0	0	0	0	110.8	N192 N193	S190-N192 PolarHBondContact O-N 3.04Å; S190-N193 PolarHBondContact N-O 3.18Å; S190-N193 CarbonylContact O-C 3.53Å; S190-N193 VanDerWaalsContact O-C 3.28Å; S190-N193 PolarHBondContact O-N 3.36Å; S190-N193 VanDerWaalsContact O-O 3.11Å
191	Y	70.3	Confident	74.9	Confident	145 Å²	145	74.6 Å²	74.6	57%	0.569	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-25.6	177.5	72.2	-90.6	0	0	0	113.3	E286	Y191-E286 HydrophobicContact CE1-CB 4.15Å
192	N	72.3	Confident	74.9	Confident	47 Å²	47	78 Å²	78	25%	0.251	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	1.4	176.3	65.7	9.4	0	0	0	113.9	S190 K207	S190-N192 PolarHBondContact O-N 3.04Å; N192-K207 PolarHBondContact O-NZ 2.81Å; N192-K207 VanDerWaalsContact O-NZ 3.08Å
193	N	76.3	Confident	74.8	Confident	1 Å²	1	77.1 Å²	77.1	1%	0.005	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-131.3	86.2	176.7	-164.2	36.3	0	0	0	110.6	R188 P189 S190 E195 K207	R188-N193 PolarHBondContact O-ND2 3.31Å; P189-N193 WeakPolarHBondContact CA-O 3.41Å; S190-N193 PolarHBondContact N-O 3.18Å; S190-N193 CarbonylContact O-C 3.53Å; S190-N193 VanDerWaalsContact O-C 3.28Å; S190-N193 PolarHBondContact O-N 3.36Å; S190-N193 VanDerWaalsContact O-O 3.11Å; N193-E195 PolarHBondContact O-N 3.36Å; N193-K207 PolarHBondContact OD1-NZ 2.8Å
194	D	73.2	Confident	74.5	Confident	84 Å²	84	76.8 Å²	76.8	45%	0.449	38%	0.383	S	S	.	.			trans	-49.4	130.4	179.8	-169.5	-41	0	0	0	111.9	R196 V197 A198	D194-R196 PolarHBondContact O-N 3.22Å; D194-R196 VanDerWaalsContact OD1-CB 3.26Å; D194-R196 WeakPolarHBondContact OD1-CB 3.38Å; D194-R196 WeakPolarHBondContact OD1-CG 3.41Å; D194-R196 PolarHBondContact OD1-N 3.39Å; D194-V197 HydrophobicContact CB-CG2 4.43Å; D194-V197 PolarHBondContact O-N 3.44Å; D194-A198 PolarHBondContact O-N 3.41Å
195	E	69.3	Low	74.9	Confident	123 Å²	123	83 Å²	83	58%	0.575	41%	0.412	S	S	*	.	H	α-helix	trans	-51.3	-36.5	176.1	-74.8	179	-176.6	0	0	112.7	P189 N193 V197 A198 N199	P189-E195 HydrophobicContact CB-CG 3.57Å; P189-E195 HydrophobicContact CG-CG 3.89Å; N193-E195 PolarHBondContact O-N 3.36Å; E195-V197 VanDerWaalsContact C-N 3.27Å; E195-V197 PolarHBondContact O-N 2.99Å; E195-A198 PolarHBondContact O-N 2.91Å; E195-N199 VanDerWaalsContact O-CB 3.26Å; E195-N199 WeakPolarHBondContact O-CB 3.38Å; E195-N199 PolarHBondContact O-N 3.15Å; E195-N199 PolarHBondContact O-ND2 3.01Å
196	R	71	Confident	75.5	Confident	198 Å²	198	83 Å²	83	75%	0.747	41%	0.412	S	S	*	.	H	α-helix	trans	-63.7	-33.6	178.9	-62.2	172.4	179.9	176.7	0.6	112.3	D194	D194-R196 PolarHBondContact O-N 3.22Å; D194-R196 VanDerWaalsContact OD1-CB 3.26Å; D194-R196 WeakPolarHBondContact OD1-CB 3.38Å; D194-R196 WeakPolarHBondContact OD1-CG 3.41Å; D194-R196 PolarHBondContact OD1-N 3.39Å
197	V	67.1	Low	75.8	Confident	35 Å²	35	81 Å²	81	21%	0.212	40%	0.402	C	S	.	.	H	α-helix	trans	-80.7	-43.4	175.2	177.9	0	0	0	0	110.1	D194 E195 N199 V200 L203 S204 K207	D194-V197 HydrophobicContact CB-CG2 4.43Å; D194-V197 PolarHBondContact O-N 3.44Å; E195-V197 VanDerWaalsContact C-N 3.27Å; E195-V197 PolarHBondContact O-N 2.99Å; V197-N199 VanDerWaalsContact C-N 3.31Å; V197-N199 PolarHBondContact O-N 3.42Å; V197-V200 PolarHBondContact O-N 3.43Å; V197-V200 VanDerWaalsContact O-O 3.12Å; V197-L203 HydrophobicContact CG1-CB 4.05Å; V197-S204 PolarHBondContact O-OG 2.99Å; V197-K207 HydrophobicContact CG1-CB 4.12Å; V197-K207 HydrophobicContact CG1-CD 3.75Å
198	A	64.3	Low	76.4	Confident	2 Å²	2	79.4 Å²	79.4	2%	0.017	40%	0.395	C	S	.	.	H	α-helix	trans	-60.4	-39.1	-179.8	0	0	0	0	0	112.2	Q187 P189 D194 E195 V200 S204	Q187-A198 WeakPolarHBondContact CB-O 3.41Å; Q187-A198 PolarHBondContact NE2-O 3.25Å; P189-A198 HydrophobicContact CG-CB 4.19Å; D194-A198 PolarHBondContact O-N 3.41Å; E195-A198 PolarHBondContact O-N 2.91Å; A198-V200 VanDerWaalsContact C-N 3.28Å; A198-V200 PolarHBondContact O-N 3.15Å; A198-S204 PolarHBondContact O-OG 3.4Å
199	N	75.5	Confident	77.3	Confident	122 Å²	122	79 Å²	79	65%	0.652	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-15.8	-178.2	-68.7	-18.8	0	0	0	113.8	E195 V197	E195-N199 VanDerWaalsContact O-CB 3.26Å; E195-N199 WeakPolarHBondContact O-CB 3.38Å; E195-N199 PolarHBondContact O-N 3.15Å; E195-N199 PolarHBondContact O-ND2 3.01Å; V197-N199 VanDerWaalsContact C-N 3.31Å; V197-N199 PolarHBondContact O-N 3.42Å
200	V	79.5	Confident	78.5	Confident	65 Å²	65	77.9 Å²	77.9	39%	0.394	39%	0.39	S	S	.	.			trans	-112.3	111.2	-177.2	-177.2	0	0	0	0	110.6	V197 A198 V202 L203 S204	V197-V200 PolarHBondContact O-N 3.43Å; V197-V200 VanDerWaalsContact O-O 3.12Å; A198-V200 VanDerWaalsContact C-N 3.28Å; A198-V200 PolarHBondContact O-N 3.15Å; V200-V202 VanDerWaalsContact C-N 3.33Å; V200-V202 PolarHBondContact O-N 3.37Å; V200-L203 HydrophobicContact CB-CB 4.08Å; V200-L203 HydrophobicContact CB-CD1 3.92Å; V200-L203 HydrophobicContact CB-CG 4Å; V200-L203 HydrophobicContact CG1-CB 4.2Å; V200-L203 HydrophobicContact CG1-CD1 4.08Å; V200-L203 HydrophobicContact CG1-CG 3.81Å; V200-L203 HydrophobicContact CG2-CD1 4.21Å; V200-L203 PolarHBondContact O-N 2.91Å; V200-L203 VanDerWaalsContact O-N 3.12Å; V200-S204 PolarHBondContact O-N 3.36Å; V200-S204 PolarHBondContact O-OG 3.15Å
201	K	78.2	Confident	79.3	Confident	147 Å²	147	76.7 Å²	76.7	64%	0.639	38%	0.379	S	S	*	.	H	α-helix	trans	-53	-44.6	-177	-72.2	-176.5	178.8	178.9	0	113.5	S204 Q205	K201-S204 PolarHBondContact O-N 3.43Å; K201-Q205 WeakPolarHBondContact O-CG 3.35Å; K201-Q205 PolarHBondContact O-N 3.09Å
202	V	83.7	Confident	80.4	Confident	103 Å²	103	75.5 Å²	75.5	62%	0.624	38%	0.377	S	S	*	.	H	α-helix	trans	-64.9	-43.6	-179.6	178.5	0	0	0	0	111.4	V200 S204 Q205 A206	V200-V202 VanDerWaalsContact C-N 3.33Å; V200-V202 PolarHBondContact O-N 3.37Å; V202-S204 VanDerWaalsContact C-N 3.35Å; V202-Q205 PolarHBondContact O-N 2.99Å; V202-A206 WeakPolarHBondContact O-CB 3.41Å; V202-A206 PolarHBondContact O-N 3.06Å
203	L	81.4	Confident	81.4	Confident	86 Å²	86	76 Å²	76	45%	0.45	39%	0.387	S	S	.	.	H	α-helix	trans	-67.1	-38.5	177.1	-63.7	-179.1	0	0	0	111.3	V197 V200 A206 K207	V197-L203 HydrophobicContact CG1-CB 4.05Å; V200-L203 HydrophobicContact CB-CB 4.08Å; V200-L203 HydrophobicContact CB-CD1 3.92Å; V200-L203 HydrophobicContact CB-CG 4Å; V200-L203 HydrophobicContact CG1-CB 4.2Å; V200-L203 HydrophobicContact CG1-CD1 4.08Å; V200-L203 HydrophobicContact CG1-CG 3.81Å; V200-L203 HydrophobicContact CG2-CD1 4.21Å; V200-L203 PolarHBondContact O-N 2.91Å; V200-L203 VanDerWaalsContact O-N 3.12Å; L203-A206 PolarHBondContact O-N 3.2Å; L203-K207 WeakPolarHBondContact O-CB 3.46Å; L203-K207 PolarHBondContact O-N 2.87Å
204	S	78.3	Confident	82.2	Confident	7 Å²	7	76.2 Å²	76.2	5%	0.049	39%	0.388	C	S	.	.	H	α-helix	trans	-61.9	-42.6	173.1	-71.7	0	0	0	0	112	V197 A198 V200 K201 V202 K207 L208	V197-S204 PolarHBondContact O-OG 2.99Å; A198-S204 PolarHBondContact O-OG 3.4Å; V200-S204 PolarHBondContact O-N 3.36Å; V200-S204 PolarHBondContact O-OG 3.15Å; K201-S204 PolarHBondContact O-N 3.43Å; V202-S204 VanDerWaalsContact C-N 3.35Å; S204-K207 PolarHBondContact O-N 2.81Å; S204-L208 VanDerWaalsContact O-CB 3.31Å; S204-L208 WeakPolarHBondContact O-CB 3.33Å; S204-L208 PolarHBondContact O-N 3.5Å
205	Q	83.6	Confident	83.2	Confident	134 Å²	134	72.6 Å²	72.6	63%	0.626	37%	0.37	S	S	*	.	H	α-helix	trans	-65.3	-43.8	175.2	-75.4	177.7	-6.6	0	0	112.4	K201 V202 L208 L209	K201-Q205 WeakPolarHBondContact O-CG 3.35Å; K201-Q205 PolarHBondContact O-N 3.09Å; V202-Q205 PolarHBondContact O-N 2.99Å; Q205-L208 WeakPolarHBondContact O-CB 3.49Å; Q205-L208 PolarHBondContact O-N 2.74Å; Q205-L209 PolarHBondContact O-N 2.87Å
206	A	87.6	Confident	84.5	Confident	58 Å²	58	75.5 Å²	75.5	48%	0.479	38%	0.376	S	S	.	.	H	α-helix	trans	-62.1	-44.6	175.8	0	0	0	0	0	111.4	V202 L203 L208 L209 Y210	V202-A206 WeakPolarHBondContact O-CB 3.41Å; V202-A206 PolarHBondContact O-N 3.06Å; L203-A206 PolarHBondContact O-N 3.2Å; A206-L208 VanDerWaalsContact C-N 3.32Å; A206-L208 PolarHBondContact O-N 3.03Å; A206-L209 PolarHBondContact O-N 3.48Å; A206-Y210 WeakPolarHBondContact O-CB 3.44Å; A206-Y210 PolarHBondContact O-N 3.41Å
207	K	88.5	Confident	85.6	Confident	33 Å²	33	67.8 Å²	67.8	14%	0.143	35%	0.352	C	S	.	.	H	α-helix	trans	-62.5	-38.7	174.4	-173.9	172.7	177.1	177.7	0	111.6	V184 N192 N193 V197 L203 S204 Y210 Y211	V184-K207 HydrophobicContact CG1-CB 4.01Å; V184-K207 HydrophobicContact CG1-CD 4.18Å; V184-K207 HydrophobicContact CG1-CG 3.89Å; V184-K207 HydrophobicContact CG2-CD 4.08Å; V184-K207 HydrophobicContact CG2-CG 4.29Å; N192-K207 PolarHBondContact O-NZ 2.81Å; N192-K207 VanDerWaalsContact O-NZ 3.08Å; N193-K207 PolarHBondContact OD1-NZ 2.8Å; V197-K207 HydrophobicContact CG1-CB 4.12Å; V197-K207 HydrophobicContact CG1-CD 3.75Å; L203-K207 WeakPolarHBondContact O-CB 3.46Å; L203-K207 PolarHBondContact O-N 2.87Å; S204-K207 PolarHBondContact O-N 2.81Å; K207-Y210 WeakPolarHBondContact O-CB 3.12Å; K207-Y210 PolarHBondContact O-N 3.33Å; K207-Y211 HydrophobicContact CD-CE2 4.37Å; K207-Y211 VanDerWaalsContact CE-CZ 3.42Å; K207-Y211 VanDerWaalsContact CE-OH 3.24Å; K207-Y211 WeakPolarHBondContact CE-OH 3.18Å; K207-Y211 HydrophobicContact CG-CD2 4.02Å; K207-Y211 HydrophobicContact CG-CE2 3.88Å; K207-Y211 WeakPolarHBondContact O-CB 3.44Å; K207-Y211 WeakPolarHBondContact O-CD2 3.39Å; K207-Y211 PolarHBondContact O-N 3.08Å
208	L	88.4	Confident	86.9	Confident	32 Å²	32	66.7 Å²	66.7	17%	0.168	35%	0.345	C	S	.	.	H	α-helix	trans	-64.8	-43.9	176.8	-177	60.6	0	0	0	111.8	L181 V184 A185 S204 Q205 A206 Y210 Y211 K212	L181-L208 HydrophobicContact CD2-CD1 4.4Å; V184-L208 HydrophobicContact CG1-CB 4.01Å; V184-L208 HydrophobicContact CG1-CD1 4.5Å; A185-L208 HydrophobicContact CB-CD1 4.17Å; A185-L208 HydrophobicContact CB-CD2 4.14Å; S204-L208 VanDerWaalsContact O-CB 3.31Å; S204-L208 WeakPolarHBondContact O-CB 3.33Å; S204-L208 PolarHBondContact O-N 3.5Å; Q205-L208 WeakPolarHBondContact O-CB 3.49Å; Q205-L208 PolarHBondContact O-N 2.74Å; A206-L208 VanDerWaalsContact C-N 3.32Å; A206-L208 PolarHBondContact O-N 3.03Å; L208-Y210 VanDerWaalsContact C-N 3.34Å; L208-Y211 PolarHBondContact O-N 2.9Å; L208-K212 HydrophobicContact CD1-CG 4.43Å; L208-K212 HydrophobicContact CG-CD 4.3Å; L208-K212 WeakPolarHBondContact O-CB 3.33Å; L208-K212 VanDerWaalsContact O-CG 3.3Å; L208-K212 WeakPolarHBondContact O-CG 3.37Å; L208-K212 PolarHBondContact O-N 2.86Å
209	L	91.3	Very high	88.4	Confident	126 Å²	126	66.7 Å²	66.7	66%	0.66	34%	0.344	S	S	*	.	H	α-helix	trans	-61.5	-45.3	175.1	179.9	61.8	0	0	0	111	Q205 A206 Y211 K212 A213	Q205-L209 PolarHBondContact O-N 2.87Å; A206-L209 PolarHBondContact O-N 3.48Å; L209-Y211 PolarHBondContact O-N 2.86Å; L209-K212 PolarHBondContact O-N 2.81Å; L209-A213 WeakPolarHBondContact O-CB 3.43Å; L209-A213 PolarHBondContact O-N 3.07Å
210	Y	92	Very high	89.3	Confident	45 Å²	45	65.3 Å²	65.3	18%	0.176	33%	0.33	C	S	.	.	H	α-helix	trans	-55.8	-49.9	174.1	164	-123.2	0	0	0	112	L121 L124 A206 K207 L208 K212 A213 L214	L121-Y210 HydrophobicContact CD2-CD1 4.08Å; L121-Y210 HydrophobicContact CD2-CD2 4.05Å; L121-Y210 HydrophobicContact CD2-CE1 3.93Å; L121-Y210 HydrophobicContact CD2-CE2 3.89Å; L121-Y210 HydrophobicContact CD2-CG 4.16Å; L121-Y210 PolarHBondContact O-OH 3.13Å; L124-Y210 HydrophobicContact CB-CE2 3.77Å; L124-Y210 WeakPolarHBondContact CB-OH 3.5Å; L124-Y210 HydrophobicContact CD2-CE2 4.25Å; L124-Y210 PolarHBondContact N-OH 3.47Å; A206-Y210 WeakPolarHBondContact O-CB 3.44Å; A206-Y210 PolarHBondContact O-N 3.41Å; K207-Y210 WeakPolarHBondContact O-CB 3.12Å; K207-Y210 PolarHBondContact O-N 3.33Å; L208-Y210 VanDerWaalsContact C-N 3.34Å; Y210-K212 PolarHBondContact O-N 2.89Å; Y210-A213 PolarHBondContact O-N 3.48Å; Y210-L214 WeakPolarHBondContact O-CB 3.31Å; Y210-L214 PolarHBondContact O-N 3.03Å
211	Y	92.4	Very high	90	Very high	18 Å²	18	63 Å²	63	7%	0.071	32%	0.316	C	S	.	.	H	α-helix	trans	-66.6	-37	179.3	-85.6	-142.6	0	0	0	111.6	L123 I176 M180 V184 K207 L208 L209 L214 A215	L123-Y211 HydrophobicContact CD1-CE2 4.45Å; I176-Y211 HydrophobicContact CD1-CD1 3.98Å; I176-Y211 HydrophobicContact CD1-CG 4.01Å; I176-Y211 VanDerWaalsContact CD1-O 3.27Å; I176-Y211 WeakPolarHBondContact CD1-O 3.48Å; M180-Y211 HydrophobicContact CB-CD1 4.38Å; M180-Y211 HydrophobicContact CB-CE1 4.16Å; M180-Y211 HydrophobicContact CE-CE1 3.86Å; V184-Y211 HydrophobicContact CG2-CD1 4.04Å; V184-Y211 HydrophobicContact CG2-CE1 3.92Å; K207-Y211 HydrophobicContact CD-CE2 4.37Å; K207-Y211 VanDerWaalsContact CE-CZ 3.42Å; K207-Y211 VanDerWaalsContact CE-OH 3.24Å; K207-Y211 WeakPolarHBondContact CE-OH 3.18Å; K207-Y211 HydrophobicContact CG-CD2 4.02Å; K207-Y211 HydrophobicContact CG-CE2 3.88Å; K207-Y211 WeakPolarHBondContact O-CB 3.44Å; K207-Y211 WeakPolarHBondContact O-CD2 3.39Å; K207-Y211 PolarHBondContact O-N 3.08Å; L208-Y211 PolarHBondContact O-N 2.9Å; L209-Y211 PolarHBondContact O-N 2.86Å; Y211-L214 PolarHBondContact O-N 2.8Å; Y211-A215 WeakPolarHBondContact O-CB 3.4Å; Y211-A215 PolarHBondContact O-N 3.04Å
212	K	93.5	Very high	90.8	Very high	120 Å²	120	56 Å²	56	52%	0.522	29%	0.285	S	S	.	.	H	α-helix	trans	-63.1	-44	174.8	-77.7	176.9	177.8	178.9	0	111.6	L181 L208 L209 Y210 A215 W216	L181-K212 HydrophobicContact CD2-CG 4.07Å; L208-K212 HydrophobicContact CD1-CG 4.43Å; L208-K212 HydrophobicContact CG-CD 4.3Å; L208-K212 WeakPolarHBondContact O-CB 3.33Å; L208-K212 VanDerWaalsContact O-CG 3.3Å; L208-K212 WeakPolarHBondContact O-CG 3.37Å; L208-K212 PolarHBondContact O-N 2.86Å; L209-K212 PolarHBondContact O-N 2.81Å; Y210-K212 PolarHBondContact O-N 2.89Å; K212-A215 PolarHBondContact O-N 3.21Å; K212-W216 WeakPolarHBondContact O-CB 3.22Å; K212-W216 PolarHBondContact O-N 3.1Å
213	A	93.9	Very high	91.3	Very high	56 Å²	56	55.1 Å²	55.1	46%	0.463	27%	0.27	S	S	.	.	H	α-helix	trans	-62.7	-43.6	176.1	0	0	0	0	0	111.4	L209 Y210 W216 S217	L209-A213 WeakPolarHBondContact O-CB 3.43Å; L209-A213 PolarHBondContact O-N 3.07Å; Y210-A213 PolarHBondContact O-N 3.48Å; A213-W216 PolarHBondContact O-N 3.35Å; A213-S217 PolarHBondContact O-N 3.38Å; A213-S217 PolarHBondContact O-OG 2.96Å
214	L	93.9	Very high	91.9	Very high	7 Å²	7	58.5 Å²	58.5	4%	0.037	28%	0.277	C	S	.	.	H	α-helix	trans	-66.1	-41.5	176.3	-171.7	71.5	0	0	0	112.4	L123 I176 Y210 Y211 W216 S217 Y218	L123-L214 HydrophobicContact CB-CD2 3.41Å; L123-L214 VanDerWaalsContact CB-CD2 3.41Å; L123-L214 HydrophobicContact CD1-CD2 3.84Å; L123-L214 HydrophobicContact CG-CD2 4.29Å; I176-L214 HydrophobicContact CD1-CB 4.26Å; I176-L214 HydrophobicContact CD1-CD2 4.1Å; I176-L214 HydrophobicContact CD1-CG 4.43Å; Y210-L214 WeakPolarHBondContact O-CB 3.31Å; Y210-L214 PolarHBondContact O-N 3.03Å; Y211-L214 PolarHBondContact O-N 2.8Å; L214-W216 VanDerWaalsContact C-N 3.32Å; L214-W216 PolarHBondContact O-N 3.5Å; L214-S217 PolarHBondContact O-N 3.22Å; L214-S217 PolarHBondContact O-OG 3.3Å; L214-Y218 WeakPolarHBondContact O-CB 3.32Å; L214-Y218 PolarHBondContact O-N 3.5Å
215	A	94.7	Very high	92.7	Very high	8 Å²	8	58.2 Å²	58.2	7%	0.066	28%	0.275	C	S	.	.	H	α-helix	trans	-64.5	-39.2	176.7	0	0	0	0	0	111.6	I176 L181 Y211 K212 G219 L243	I176-A215 HydrophobicContact CD1-CB 3.99Å; I176-A215 HydrophobicContact CG1-CB 4.43Å; I176-A215 HydrophobicContact CG2-CB 4.25Å; L181-A215 HydrophobicContact CD1-CB 3.96Å; Y211-A215 WeakPolarHBondContact O-CB 3.4Å; Y211-A215 PolarHBondContact O-N 3.04Å; K212-A215 PolarHBondContact O-N 3.21Å; A215-G219 PolarHBondContact O-N 2.86Å; A215-L243 HydrophobicContact CB-CD2 3.98Å
216	W	95.4	Very high	93.3	Very high	183 Å²	183	51.9 Å²	51.9	69%	0.693	25%	0.246	S	C	*	.	H	α-helix	trans	-63.9	-47.5	173.7	178.3	89.8	0	0	0	111.6	K212 A213 L214 G219 W220	K212-W216 WeakPolarHBondContact O-CB 3.22Å; K212-W216 PolarHBondContact O-N 3.1Å; A213-W216 PolarHBondContact O-N 3.35Å; L214-W216 VanDerWaalsContact C-N 3.32Å; L214-W216 PolarHBondContact O-N 3.5Å; W216-G219 PolarHBondContact O-N 2.64Å; W216-W220 WeakPolarHBondContact O-CB 3.34Å; W216-W220 PolarHBondContact O-N 3.43Å
217	S	94	Very high	93.7	Very high	37 Å²	37	50.4 Å²	50.4	26%	0.259	23%	0.23	S	C	.	.	H	α-helix	trans	-65.8	-45.8	179.5	69.1	0	0	0	0	111.8	A213 L214 G219 W220 L221	A213-S217 PolarHBondContact O-N 3.38Å; A213-S217 PolarHBondContact O-OG 2.96Å; L214-S217 PolarHBondContact O-N 3.22Å; L214-S217 PolarHBondContact O-OG 3.3Å; S217-G219 VanDerWaalsContact C-N 3.34Å; S217-G219 PolarHBondContact O-N 3.42Å; S217-W220 PolarHBondContact O-N 2.87Å; S217-L221 WeakPolarHBondContact O-CB 3.29Å; S217-L221 VanDerWaalsContact O-CG 3.24Å; S217-L221 WeakPolarHBondContact O-CG 3.18Å; S217-L221 PolarHBondContact O-N 2.81Å
218	Y	95.1	Very high	94.2	Very high	12 Å²	12	49 Å²	49	5%	0.047	22%	0.224	C	C	.	.	H	α-helix	trans	-55.8	-47.4	174	177.9	-114	0	0	0	111.8	A153 P174 T175 I176 L214 G222 I240 L243 W244	A153-Y218 HydrophobicContact CB-CD2 4.11Å; A153-Y218 HydrophobicContact CB-CE2 3.58Å; P174-Y218 HydrophobicContact CB-CE1 4.21Å; T175-Y218 VanDerWaalsContact OG1-CE2 3.27Å; T175-Y218 WeakPolarHBondContact OG1-CE2 3.27Å; I176-Y218 HydrophobicContact CG2-CD1 3.6Å; I176-Y218 HydrophobicContact CG2-CE1 4.31Å; I176-Y218 HydrophobicContact CG2-CG 3.85Å; L214-Y218 WeakPolarHBondContact O-CB 3.32Å; L214-Y218 PolarHBondContact O-N 3.5Å; Y218-G222 PolarHBondContact O-N 3.48Å; Y218-I240 HydrophobicContact CE1-CD1 4.11Å; Y218-I240 WeakPolarHBondContact OH-CD1 2.91Å; Y218-L243 HydrophobicContact CD1-CD1 4.18Å; Y218-L243 HydrophobicContact CE1-CD1 4.17Å; Y218-W244 AromaticContact CD1-NE1 3.33Å; Y218-W244 VanDerWaalsContact CD1-NE1 3.33Å; Y218-W244 HydrophobicContact CD2-CZ2 4.47Å; Y218-W244 AromaticContact CE1-CD1 3.94Å; Y218-W244 AromaticContact CE1-CE2 3.89Å; Y218-W244 HydrophobicContact CE1-CZ2 4.21Å; Y218-W244 AromaticContact CE1-NE1 3.03Å; Y218-W244 AromaticContact CE2-CZ2 3.72Å; Y218-W244 HydrophobicContact CE2-CZ2 3.72Å; Y218-W244 AromaticContact CE2-NE1 3.9Å; Y218-W244 AromaticContact CG-NE1 3.89Å; Y218-W244 AromaticContact CZ-CE2 3.72Å; Y218-W244 AromaticContact CZ-CZ2 3.55Å; Y218-W244 AromaticContact CZ-NE1 3.34Å; Y218-W244 VanDerWaalsContact CZ-NE1 3.34Å; Y218-W244 PolarHBondContact O-NE1 2.82Å; Y218-W244 WeakPolarHBondContact OH-CZ2 3.41Å
219	G	95.8	Very high	94.6	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-64.1	-39.8	176.9	0	0	0	0	0	113.6	A215 W216 S217 R223 L243	A215-G219 PolarHBondContact O-N 2.86Å; W216-G219 PolarHBondContact O-N 2.64Å; S217-G219 VanDerWaalsContact C-N 3.34Å; S217-G219 PolarHBondContact O-N 3.42Å; G219-R223 VanDerWaalsContact O-CB 3.28Å; G219-R223 WeakPolarHBondContact O-CB 3.38Å; G219-R223 PolarHBondContact O-N 3.12Å; G219-R223 VanDerWaalsContact O-N 3.13Å; G219-L243 WeakPolarHBondContact CA-O 3.47Å
220	W	94.8	Very high	95	Very high	94 Å²	94	41.7 Å²	41.7	36%	0.356	19%	0.186	S	C	.	.	H	α-helix	trans	-68	-46.1	177.3	-179.5	88.2	0	0	0	111.9	W216 S217 R223 R224	W216-W220 WeakPolarHBondContact O-CB 3.34Å; W216-W220 PolarHBondContact O-N 3.43Å; S217-W220 PolarHBondContact O-N 2.87Å; W220-R223 PolarHBondContact O-N 3.35Å; W220-R224 HydrophobicContact CD2-CG 4.34Å; W220-R224 HydrophobicContact CZ2-CG 4.25Å; W220-R224 WeakPolarHBondContact O-CG 3.25Å; W220-R224 PolarHBondContact O-N 3.43Å
221	L	93.2	Very high	95.2	Very high	17 Å²	17	39.6 Å²	39.6	9%	0.089	18%	0.178	C	C	.	.	H	α-helix	trans	-61	-52.2	178	-70.8	171.4	0	0	0	111.1	F131 T154 C157 S217 R223 R224 S225	F131-L221 HydrophobicContact CE2-CD1 4.09Å; F131-L221 HydrophobicContact CZ-CD1 3.87Å; F131-L221 HydrophobicContact CZ-CD2 3.89Å; T154-L221 HydrophobicContact CG2-CD1 3.95Å; C157-L221 HydrophobicContact CB-CD2 3.93Å; S217-L221 WeakPolarHBondContact O-CB 3.29Å; S217-L221 VanDerWaalsContact O-CG 3.24Å; S217-L221 WeakPolarHBondContact O-CG 3.18Å; S217-L221 PolarHBondContact O-N 2.81Å; L221-R223 VanDerWaalsContact C-N 3.28Å; L221-R223 PolarHBondContact O-N 3.47Å; L221-R224 PolarHBondContact O-N 3.43Å; L221-R224 VanDerWaalsContact O-N 3.15Å; L221-S225 WeakPolarHBondContact O-CB 3.27Å; L221-S225 PolarHBondContact O-N 3.32Å; L221-S225 PolarHBondContact O-OG 3.46Å
222	G	95.1	Very high	95.4	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58	-40.4	178	0	0	0	0	0	112.9	Y218 R224 S225 A226	Y218-G222 PolarHBondContact O-N 3.48Å; G222-R224 PolarHBondContact O-N 3.48Å; G222-S225 PolarHBondContact O-N 3.17Å; G222-A226 WeakPolarHBondContact O-CB 3.48Å; G222-A226 PolarHBondContact O-N 2.75Å
223	R	95.1	Very high	95.6	Very high	83 Å²	83	33.3 Å²	33.3	31%	0.313	15%	0.151	S	C	.	.	H	α-helix	trans	-63	-40.3	177.1	-168.8	-179.4	-51.3	148.6	17.4	113.2	G219 W220 L221 L243 W244 K246	G219-R223 VanDerWaalsContact O-CB 3.28Å; G219-R223 WeakPolarHBondContact O-CB 3.38Å; G219-R223 PolarHBondContact O-N 3.12Å; G219-R223 VanDerWaalsContact O-N 3.13Å; W220-R223 PolarHBondContact O-N 3.35Å; L221-R223 VanDerWaalsContact C-N 3.28Å; L221-R223 PolarHBondContact O-N 3.47Å; R223-L243 PolarHBondContact NH2-O 3Å; R223-W244 VanDerWaalsContact CB-O 3.31Å; R223-W244 WeakPolarHBondContact CB-O 3.43Å; R223-W244 WeakPolarHBondContact CG-O 3.4Å; R223-W244 PolarHBondContact NE-O 2.93Å; R223-K246 HydrophobicContact CG-CD 4.36Å; R223-K246 HydrophobicContact CG-CG 4.1Å
224	R	93.7	Very high	95.8	Very high	157 Å²	157	32.2 Å²	32.2	59%	0.592	14%	0.14	S	C	*	.	H	α-helix	trans	-83.7	-22.6	-176.9	-68.8	-62.4	-176.8	113.1	-4.5	113	W220 L221 G222	W220-R224 HydrophobicContact CD2-CG 4.34Å; W220-R224 HydrophobicContact CZ2-CG 4.25Å; W220-R224 WeakPolarHBondContact O-CG 3.25Å; W220-R224 PolarHBondContact O-N 3.43Å; L221-R224 PolarHBondContact O-N 3.43Å; L221-R224 VanDerWaalsContact O-N 3.15Å; G222-R224 PolarHBondContact O-N 3.48Å
225	S	95.3	Very high	95.9	Very high	1 Å²	1	33 Å²	33	1%	0.007	14%	0.142	C	C	.	.	H	α-helix	trans	-121.9	-7.4	-163.7	-55.3	0	0	0	0	115.9	C157 T167 L221 G222	C157-S225 WeakPolarHBondContact CA-OG 3.4Å; T167-S225 VanDerWaalsContact CB-O 3.32Å; T167-S225 WeakPolarHBondContact CB-O 3.42Å; T167-S225 PolarHBondContact OG1-O 2.88Å; L221-S225 WeakPolarHBondContact O-CB 3.27Å; L221-S225 PolarHBondContact O-N 3.32Å; L221-S225 PolarHBondContact O-OG 3.46Å; G222-S225 PolarHBondContact O-N 3.17Å
226	A	96.3	Very high	96	Very high	2 Å²	2	32.6 Å²	32.6	2%	0.017	14%	0.139	C	C	.	.			trans	-107.7	112	173.7	0	0	0	0	0	110.2	L156 G222 I229 W244 K246	L156-A226 HydrophobicContact CD1-CB 4.17Å; G222-A226 WeakPolarHBondContact O-CB 3.48Å; G222-A226 PolarHBondContact O-N 2.75Å; A226-I229 HydrophobicContact CB-CD1 4.32Å; A226-I229 HydrophobicContact CB-CG1 3.73Å; A226-W244 HydrophobicContact CB-CE3 4.31Å; A226-W244 HydrophobicContact CB-CZ3 3.72Å; A226-K246 PolarHBondContact O-NZ 2.98Å
227	D	96.5	Very high	96.1	Very high	27 Å²	27	27.2 Å²	27.2	14%	0.144	12%	0.121	C	C	.	.	S	Bend	trans	-67.4	-44.6	172.9	-61.4	-72.3	0	0	0	110.3	R160 K166 T167 K246 L465	R160-D227 IonicContact CZ-OD1 3.2Å; R160-D227 IonicContact CZ-OD2 3.78Å; R160-D227 IonicContact NH1-OD1 2.79Å; R160-D227 PolarHBondContact NH1-OD1 2.67Å; R160-D227 IonicContact NH1-OD2 2.89Å; R160-D227 PolarHBondContact NH1-OD2 3.18Å; R160-D227 IonicContact NH2-OD1 3.24Å; R160-D227 PolarHBondContact NH2-OD1 3.28Å; K166-D227 WeakPolarHBondContact CA-OD2 3.41Å; T167-D227 PolarHBondContact N-OD2 2.82Å; T167-D227 VanDerWaalsContact O-CB 3.29Å; T167-D227 WeakPolarHBondContact O-CB 3.45Å; T167-D227 PolarHBondContact O-N 3.29Å; T167-D227 PolarHBondContact OG1-N 3.07Å; T167-D227 VanDerWaalsContact OG1-N 3.15Å; T167-D227 PolarHBondContact OG1-OD2 3.41Å; D227-K246 PolarHBondContact O-NZ 3.02Å; D227-L465 HydrophobicContact CB-CD1 3.54Å
228	T	97	Very high	96.2	Very high	4 Å²	4	27.5 Å²	27.5	3%	0.025	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	135.9	-178.4	-72.3	0	0	0	0	111.4	T167 A168 C169 Y251 I461	T167-T228 PolarHBondContact O-N 3.27Å; A168-T228 WeakPolarHBondContact CA-O 3.33Å; A168-T228 HydrophobicContact CB-CG2 4.45Å; C169-T228 PolarHBondContact N-O 2.63Å; C169-T228 VanDerWaalsContact N-O 3.17Å; T228-Y251 HydrophobicContact CG2-CD2 4.11Å; T228-Y251 HydrophobicContact CG2-CE2 4.08Å; T228-I461 HydrophobicContact CG2-CG2 3.2Å
229	I	98.1	Very high	96.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	119.1	-174.9	-55.5	154.5	0	0	0	108.3	I171 A226 V231 I240 W244 K246 S249 T250 Y251	I171-I229 HydrophobicContact CD1-CG2 4.17Å; A226-I229 HydrophobicContact CB-CD1 4.32Å; A226-I229 HydrophobicContact CB-CG1 3.73Å; I229-V231 HydrophobicContact CG2-CG1 4.17Å; I229-I240 HydrophobicContact CG2-CG2 3.86Å; I229-W244 HydrophobicContact CD1-CE3 3.64Å; I229-W244 HydrophobicContact CD1-CZ3 4.17Å; I229-W244 HydrophobicContact CG1-CE3 3.96Å; I229-W244 HydrophobicContact CG1-CZ3 3.95Å; I229-W244 HydrophobicContact CG2-CE3 4.48Å; I229-W244 HydrophobicContact CG2-CZ3 4.39Å; I229-K246 HydrophobicContact CD1-CB 3.85Å; I229-K246 HydrophobicContact CD1-CD 4.25Å; I229-S249 WeakPolarHBondContact CB-O 3.44Å; I229-S249 PolarHBondContact N-O 2.86Å; I229-T250 HydrophobicContact CB-CG2 4.41Å; I229-T250 HydrophobicContact CG2-CG2 4.03Å; I229-T250 CarbonylContact O-C 3.58Å; I229-T250 WeakPolarHBondContact O-CA 3.28Å; I229-Y251 PolarHBondContact O-N 2.85Å
230	M	98.4	Very high	96.3	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.02	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	139.1	171.1	-64.6	170.7	-77.2	0	0	109	A168 C169 Y170 I171 Y251 V253 F458 I461	A168-M230 HydrophobicContact CB-CE 4.34Å; C169-M230 WeakPolarHBondContact O-CB 3.28Å; C169-M230 PolarHBondContact O-N 2.75Å; Y170-M230 CarbonylContact C-O 3.55Å; Y170-M230 WeakPolarHBondContact CA-O 3.49Å; Y170-M230 HydrophobicContact CD2-CB 3.68Å; Y170-M230 HydrophobicContact CE2-CB 4.37Å; Y170-M230 HydrophobicContact CG-CB 4.42Å; I171-M230 PolarHBondContact N-O 3.37Å; M230-Y251 WeakPolarHBondContact CA-O 3Å; M230-V253 HydrophobicContact CB-CB 4.37Å; M230-V253 HydrophobicContact CB-CG2 4.1Å; M230-V253 HydrophobicContact CG-CG2 3.88Å; M230-V253 HydrophobicContact SD-CG2 4.35Å; M230-F458 HydrophobicContact CE-CD2 3.96Å; M230-F458 HydrophobicContact CE-CE2 3.85Å; M230-F458 HydrophobicContact SD-CD2 3.74Å; M230-F458 HydrophobicContact SD-CE2 4.26Å; M230-I461 HydrophobicContact CG-CD1 4.1Å; M230-I461 HydrophobicContact CG-CG2 4.11Å; M230-I461 HydrophobicContact SD-CB 4.46Å; M230-I461 HydrophobicContact SD-CD1 4.31Å; M230-I461 HydrophobicContact SD-CG2 4.01Å
231	V	97.8	Very high	96.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	142.7	-179.6	-64.6	0	0	0	0	110.2	I171 I229 S233 T236 K237 I240 T250 Y251 L252 V253	I171-V231 HydrophobicContact CB-CG1 4.33Å; I229-V231 HydrophobicContact CG2-CG1 4.17Å; V231-S233 VanDerWaalsContact C-N 3.34Å; V231-S233 PolarHBondContact O-N 3.48Å; V231-T236 HydrophobicContact CB-CG2 3.92Å; V231-T236 HydrophobicContact CG1-CG2 3.96Å; V231-K237 HydrophobicContact CG2-CB 3.55Å; V231-K237 HydrophobicContact CG2-CD 4.27Å; V231-K237 HydrophobicContact CG2-CG 3.98Å; V231-I240 HydrophobicContact CG1-CB 4.31Å; V231-I240 HydrophobicContact CG1-CG1 4.14Å; V231-I240 HydrophobicContact CG1-CG2 4.47Å; V231-T250 HydrophobicContact CG1-CG2 4.07Å; V231-T250 HydrophobicContact CG2-CG2 4.19Å; V231-Y251 WeakPolarHBondContact CG2-O 3.09Å; V231-Y251 PolarHBondContact N-O 2.73Å; V231-L252 HydrophobicContact CG2-CD1 4.34Å; V231-V253 CarbonylContact O-C 3.57Å; V231-V253 PolarHBondContact O-N 3.38Å
232	N	96.9	Very high	96.6	Very high	7 Å²	7	30.8 Å²	30.8	4%	0.037	15%	0.15	C	C	.	.	S	Bend	trans	-77	-13.3	-172.9	70.7	-24.6	0	0	0	115.3	Y170 I171 H172 T236 F254 P255 F375	Y170-N232 HydrophobicContact CE1-CB 3.86Å; Y170-N232 WeakPolarHBondContact OH-CA 3.33Å; Y170-N232 WeakPolarHBondContact OH-CB 3.46Å; I171-N232 PolarHBondContact O-N 3.16Å; I171-N232 PolarHBondContact O-OD1 2.98Å; H172-N232 WeakPolarHBondContact CA-ND2 3.46Å; H172-N232 VanDerWaalsContact O-CG 3.29Å; H172-N232 PolarHBondContact O-ND2 3.05Å; H172-N232 PolarHBondContact O-OD1 3.04Å; H172-N232 VanDerWaalsContact O-OD1 3.08Å; N232-T236 WeakPolarHBondContact OD1-CB 3.49Å; N232-T236 PolarHBondContact OD1-OG1 3.38Å; N232-F254 WeakPolarHBondContact O-CD1 3.28Å; N232-P255 WeakPolarHBondContact O-CD 3.42Å; N232-F375 WeakPolarHBondContact O-CD2 3.45Å
233	S	97.5	Very high	96.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-157.7	162.4	-175.7	72.6	0	0	0	0	112.7	V231 W235 T236 K237 L252 H374 D400	V231-S233 VanDerWaalsContact C-N 3.34Å; V231-S233 PolarHBondContact O-N 3.48Å; S233-W235 PolarHBondContact O-N 3.28Å; S233-W235 PolarHBondContact OG-N 3.21Å; S233-T236 PolarHBondContact O-N 3.17Å; S233-T236 PolarHBondContact OG-N 3.36Å; S233-T236 PolarHBondContact OG-OG1 3.49Å; S233-T236 VanDerWaalsContact OG-OG1 3.1Å; S233-K237 WeakPolarHBondContact O-CB 3.37Å; S233-K237 PolarHBondContact O-N 3.2Å; S233-L252 VanDerWaalsContact CA-CD1 3.49Å; S233-L252 WeakPolarHBondContact O-CD1 3.35Å; S233-H374 WeakPolarHBondContact CB-O 3.47Å; S233-H374 PolarHBondContact OG-O 3.44Å; S233-D400 WeakPolarHBondContact CB-OD2 3.44Å
234	S	97.6	Very high	96.8	Very high	33 Å²	33	27.8 Å²	27.8	23%	0.231	14%	0.14	C	C	.	.	H	α-helix	trans	-64	-33.4	174.4	-65.6	0	0	0	0	111.4	K237 G238 D400	S234-K237 WeakPolarHBondContact O-CB 3.2Å; S234-K237 PolarHBondContact O-N 3.41Å; S234-G238 PolarHBondContact O-N 2.96Å; S234-D400 WeakPolarHBondContact CB-OD1 3.43Å; S234-D400 PolarHBondContact N-OD1 3.13Å; S234-D400 PolarHBondContact N-OD2 3.12Å; S234-D400 PolarHBondContact OG-OD1 2.95Å
235	W	95.7	Very high	96.9	Very high	22 Å²	22	28.6 Å²	28.6	8%	0.083	14%	0.143	C	C	.	.	H	α-helix	trans	-62.2	-51.1	174.1	179.5	89.2	0	0	0	111.3	S233 K237 G238 H239 N372 H374 M399	S233-W235 PolarHBondContact O-N 3.28Å; S233-W235 PolarHBondContact OG-N 3.21Å; W235-K237 VanDerWaalsContact C-N 3.3Å; W235-K237 PolarHBondContact O-N 3.35Å; W235-G238 PolarHBondContact O-N 3.41Å; W235-H239 AromaticContact CD2-CD2 3.71Å; W235-H239 AromaticContact CD2-NE2 3.75Å; W235-H239 AromaticContact CE2-CD2 3.57Å; W235-H239 AromaticContact CE2-NE2 3.13Å; W235-H239 AromaticContact CE3-CD2 3.89Å; W235-H239 AromaticContact CH2-CD2 3.79Å; W235-H239 AromaticContact CH2-NE2 3.78Å; W235-H239 AromaticContact CZ2-CD2 3.63Å; W235-H239 AromaticContact CZ2-NE2 3.17Å; W235-H239 WeakPolarHBondContact CZ2-NE2 3.41Å; W235-H239 AromaticContact CZ3-CD2 3.91Å; W235-H239 AromaticContact NE1-NE2 3.4Å; W235-H239 PolarHBondContact NE1-NE2 2.97Å; W235-H239 PolarHBondContact O-CD2 3.26Å; W235-H239 VanDerWaalsContact O-CD2 3.24Å; W235-H239 PolarHBondContact O-N 3.07Å; W235-N372 HydrophobicContact CZ2-CB 3.93Å; W235-H374 HydrophobicContact CE3-CB 4.42Å; W235-H374 AromaticContact CE3-ND1 3.83Å; W235-H374 AromaticContact CH2-CE1 4Å; W235-H374 AromaticContact CH2-ND1 3.54Å; W235-H374 HydrophobicContact CZ3-CB 4.42Å; W235-H374 AromaticContact CZ3-CE1 3.94Å; W235-H374 AromaticContact CZ3-ND1 3.12Å; W235-H374 WeakPolarHBondContact CZ3-ND1 3.34Å; W235-M399 HydrophobicContact CB-SD 3.85Å
236	T	96.3	Very high	96.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.1	-40.7	177.3	-59.8	0	0	0	0	110.7	I171 H172 P174 V231 N232 S233 G238 H239 I240	I171-T236 HydrophobicContact CB-CG2 4.34Å; I171-T236 HydrophobicContact CG2-CG2 3.88Å; H172-T236 PolarHBondContact O-OG1 3.41Å; P174-T236 HydrophobicContact CG-CG2 4.26Å; V231-T236 HydrophobicContact CB-CG2 3.92Å; V231-T236 HydrophobicContact CG1-CG2 3.96Å; N232-T236 WeakPolarHBondContact OD1-CB 3.49Å; N232-T236 PolarHBondContact OD1-OG1 3.38Å; S233-T236 PolarHBondContact O-N 3.17Å; S233-T236 PolarHBondContact OG-N 3.36Å; S233-T236 PolarHBondContact OG-OG1 3.49Å; S233-T236 VanDerWaalsContact OG-OG1 3.1Å; T236-G238 VanDerWaalsContact C-N 3.34Å; T236-G238 PolarHBondContact O-N 3.2Å; T236-H239 PolarHBondContact O-N 2.94Å; T236-I240 HydrophobicContact CG2-CG1 4.15Å; T236-I240 WeakPolarHBondContact O-CG1 3.19Å; T236-I240 PolarHBondContact O-N 3.44Å
237	K	97.4	Very high	97	Very high	70 Å²	70	34 Å²	34	30%	0.304	17%	0.173	S	C	.	.	H	α-helix	trans	-55.6	-47.2	175.5	-170.1	164.2	175.4	171.8	0	112.1	V231 S233 S234 W235 H239 I240 V241 T250 L252	V231-K237 HydrophobicContact CG2-CB 3.55Å; V231-K237 HydrophobicContact CG2-CD 4.27Å; V231-K237 HydrophobicContact CG2-CG 3.98Å; S233-K237 WeakPolarHBondContact O-CB 3.37Å; S233-K237 PolarHBondContact O-N 3.2Å; S234-K237 WeakPolarHBondContact O-CB 3.2Å; S234-K237 PolarHBondContact O-N 3.41Å; W235-K237 VanDerWaalsContact C-N 3.3Å; W235-K237 PolarHBondContact O-N 3.35Å; K237-H239 PolarHBondContact O-N 3.21Å; K237-I240 PolarHBondContact O-N 3.34Å; K237-V241 HydrophobicContact CG-CG2 4.09Å; K237-V241 WeakPolarHBondContact O-CB 3.4Å; K237-V241 VanDerWaalsContact O-CG2 3.29Å; K237-V241 WeakPolarHBondContact O-CG2 3.22Å; K237-V241 PolarHBondContact O-N 2.63Å; K237-T250 WeakPolarHBondContact CE-O 3.23Å; K237-T250 HydrophobicContact CG-CG2 4.04Å; K237-T250 PolarHBondContact NZ-O 3.42Å; K237-L252 HydrophobicContact CD-CB 4.17Å
238	G	96.5	Very high	97	Very high	44 Å²	44	39.7 Å²	39.7	45%	0.454	20%	0.203	S	C	.	.	H	α-helix	trans	-56.9	-47.8	179.8	0	0	0	0	0	112.5	S234 W235 T236 K242	S234-G238 PolarHBondContact O-N 2.96Å; W235-G238 PolarHBondContact O-N 3.41Å; T236-G238 VanDerWaalsContact C-N 3.34Å; T236-G238 PolarHBondContact O-N 3.2Å; G238-K242 WeakPolarHBondContact O-CB 3.5Å; G238-K242 PolarHBondContact O-N 2.93Å; G238-K242 VanDerWaalsContact O-N 3.12Å
239	H	96.3	Very high	97	Very high	15 Å²	15	40.9 Å²	40.9	7%	0.069	21%	0.212	C	C	.	.	H	α-helix	trans	-64.2	-48	177.9	-68.8	-63.8	0	0	0	112.5	P174 T178 D179 W235 T236 K237 K242 L243	P174-H239 HydrophobicContact CG-CB 4.03Å; T178-H239 PolarHBondContact N-ND1 2.83Å; T178-H239 PolarHBondContact OG1-CE1 3.44Å; T178-H239 PolarHBondContact OG1-ND1 3.09Å; D179-H239 IonicContact OD1-CE1 3.19Å; D179-H239 PolarHBondContact OD1-CE1 2.92Å; D179-H239 IonicContact OD1-ND1 2.98Å; D179-H239 IonicContact OD1-NE2 2.93Å; D179-H239 PolarHBondContact OD1-NE2 2.86Å; W235-H239 AromaticContact CD2-CD2 3.71Å; W235-H239 AromaticContact CD2-NE2 3.75Å; W235-H239 AromaticContact CE2-CD2 3.57Å; W235-H239 AromaticContact CE2-NE2 3.13Å; W235-H239 AromaticContact CE3-CD2 3.89Å; W235-H239 AromaticContact CH2-CD2 3.79Å; W235-H239 AromaticContact CH2-NE2 3.78Å; W235-H239 AromaticContact CZ2-CD2 3.63Å; W235-H239 AromaticContact CZ2-NE2 3.17Å; W235-H239 WeakPolarHBondContact CZ2-NE2 3.41Å; W235-H239 AromaticContact CZ3-CD2 3.91Å; W235-H239 AromaticContact NE1-NE2 3.4Å; W235-H239 PolarHBondContact NE1-NE2 2.97Å; W235-H239 PolarHBondContact O-CD2 3.26Å; W235-H239 VanDerWaalsContact O-CD2 3.24Å; W235-H239 PolarHBondContact O-N 3.07Å; T236-H239 PolarHBondContact O-N 2.94Å; K237-H239 PolarHBondContact O-N 3.21Å; H239-K242 PolarHBondContact O-N 2.71Å; H239-L243 WeakPolarHBondContact O-CB 3.3Å; H239-L243 VanDerWaalsContact O-CG 3.29Å; H239-L243 WeakPolarHBondContact O-CG 3.35Å; H239-L243 PolarHBondContact O-N 2.78Å
240	I	97	Very high	97	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.9	-42.7	-177.7	-66.6	-61	0	0	0	111.4	I171 P174 Y218 I229 V231 T236 K237 K242 L243 W244 T250	I171-I240 HydrophobicContact CD1-CD1 3.59Å; I171-I240 HydrophobicContact CD1-CG1 3.92Å; I171-I240 HydrophobicContact CD1-CG2 4.36Å; I171-I240 HydrophobicContact CG2-CD1 4.25Å; I171-I240 HydrophobicContact CG2-CG1 4.39Å; P174-I240 HydrophobicContact CB-CD1 3.9Å; P174-I240 HydrophobicContact CG-CD1 3.89Å; P174-I240 HydrophobicContact CG-CG1 4.17Å; Y218-I240 HydrophobicContact CE1-CD1 4.11Å; Y218-I240 WeakPolarHBondContact OH-CD1 2.91Å; I229-I240 HydrophobicContact CG2-CG2 3.86Å; V231-I240 HydrophobicContact CG1-CB 4.31Å; V231-I240 HydrophobicContact CG1-CG1 4.14Å; V231-I240 HydrophobicContact CG1-CG2 4.47Å; T236-I240 HydrophobicContact CG2-CG1 4.15Å; T236-I240 WeakPolarHBondContact O-CG1 3.19Å; T236-I240 PolarHBondContact O-N 3.44Å; K237-I240 PolarHBondContact O-N 3.34Å; I240-K242 VanDerWaalsContact C-N 3.31Å; I240-K242 PolarHBondContact O-N 3.19Å; I240-L243 PolarHBondContact O-N 2.98Å; I240-W244 HydrophobicContact CG2-CB 4.31Å; I240-W244 HydrophobicContact CG2-CD2 4.02Å; I240-W244 HydrophobicContact CG2-CE3 4.19Å; I240-W244 HydrophobicContact CG2-CG 4.08Å; I240-W244 WeakPolarHBondContact O-CA 3.36Å; I240-W244 VanDerWaalsContact O-CB 3.28Å; I240-W244 WeakPolarHBondContact O-CB 3.41Å; I240-W244 PolarHBondContact O-N 3.48Å; I240-T250 HydrophobicContact CG2-CG2 4.38Å
241	V	97.5	Very high	97	Very high	41 Å²	41	44.7 Å²	44.7	25%	0.248	23%	0.227	C	C	.	.	H	α-helix	trans	-61.5	-41.9	175.9	170.6	0	0	0	0	111	K237 R245 P247 T250	K237-V241 HydrophobicContact CG-CG2 4.09Å; K237-V241 WeakPolarHBondContact O-CB 3.4Å; K237-V241 VanDerWaalsContact O-CG2 3.29Å; K237-V241 WeakPolarHBondContact O-CG2 3.22Å; K237-V241 PolarHBondContact O-N 2.63Å; V241-R245 WeakPolarHBondContact O-CA 3.07Å; V241-R245 PolarHBondContact O-N 3.23Å; V241-P247 HydrophobicContact CG1-CB 4Å; V241-P247 HydrophobicContact CG2-CB 4.49Å; V241-T250 HydrophobicContact CG2-CG2 4.03Å
242	K	97	Very high	97	Very high	137 Å²	137	47 Å²	47	60%	0.596	24%	0.239	S	C	*	.	H	α-helix	trans	-64.9	-41.1	178.4	-177.1	165.7	169.5	-172.5	0	112.7	T178 G238 H239 I240	T178-K242 HydrophobicContact CG2-CD 3.76Å; T178-K242 HydrophobicContact CG2-CG 4.12Å; G238-K242 WeakPolarHBondContact O-CB 3.5Å; G238-K242 PolarHBondContact O-N 2.93Å; G238-K242 VanDerWaalsContact O-N 3.12Å; H239-K242 PolarHBondContact O-N 2.71Å; I240-K242 VanDerWaalsContact C-N 3.31Å; I240-K242 PolarHBondContact O-N 3.19Å
243	L	96.4	Very high	97	Very high	19 Å²	19	46.7 Å²	46.7	10%	0.099	24%	0.237	C	C	.	.	H	α-helix	trans	-81.6	-52.1	-177.1	-67.4	167.8	0	0	0	112.2	I176 T178 A215 Y218 G219 R223 H239 I240	I176-L243 WeakPolarHBondContact O-CD1 3.14Å; T178-L243 HydrophobicContact CG2-CD1 4.36Å; T178-L243 HydrophobicContact CG2-CD2 4.08Å; T178-L243 HydrophobicContact CG2-CG 4.06Å; A215-L243 HydrophobicContact CB-CD2 3.98Å; Y218-L243 HydrophobicContact CD1-CD1 4.18Å; Y218-L243 HydrophobicContact CE1-CD1 4.17Å; G219-L243 WeakPolarHBondContact CA-O 3.47Å; R223-L243 PolarHBondContact NH2-O 3Å; H239-L243 WeakPolarHBondContact O-CB 3.3Å; H239-L243 VanDerWaalsContact O-CG 3.29Å; H239-L243 WeakPolarHBondContact O-CG 3.35Å; H239-L243 PolarHBondContact O-N 2.78Å; I240-L243 PolarHBondContact O-N 2.98Å
244	W	96.9	Very high	97.1	Very high	1 Å²	1	48.1 Å²	48.1	0%	0.004	24%	0.244	C	C	.	.	H	α-helix	trans	-86	-22.2	-172.3	-65.4	20.5	0	0	0	112.2	A153 L156 I171 Y218 R223 A226 I229 I240 K246	A153-W244 HydrophobicContact CB-CH2 3.93Å; A153-W244 HydrophobicContact CB-CZ2 3.69Å; L156-W244 HydrophobicContact CD1-CH2 4Å; L156-W244 HydrophobicContact CD1-CZ3 4.41Å; I171-W244 HydrophobicContact CD1-CH2 3.63Å; I171-W244 HydrophobicContact CD1-CZ2 3.95Å; I171-W244 HydrophobicContact CD1-CZ3 4.04Å; Y218-W244 AromaticContact CD1-NE1 3.33Å; Y218-W244 VanDerWaalsContact CD1-NE1 3.33Å; Y218-W244 HydrophobicContact CD2-CZ2 4.47Å; Y218-W244 AromaticContact CE1-CD1 3.94Å; Y218-W244 AromaticContact CE1-CE2 3.89Å; Y218-W244 HydrophobicContact CE1-CZ2 4.21Å; Y218-W244 AromaticContact CE1-NE1 3.03Å; Y218-W244 AromaticContact CE2-CZ2 3.72Å; Y218-W244 HydrophobicContact CE2-CZ2 3.72Å; Y218-W244 AromaticContact CE2-NE1 3.9Å; Y218-W244 AromaticContact CG-NE1 3.89Å; Y218-W244 AromaticContact CZ-CE2 3.72Å; Y218-W244 AromaticContact CZ-CZ2 3.55Å; Y218-W244 AromaticContact CZ-NE1 3.34Å; Y218-W244 VanDerWaalsContact CZ-NE1 3.34Å; Y218-W244 PolarHBondContact O-NE1 2.82Å; Y218-W244 WeakPolarHBondContact OH-CZ2 3.41Å; R223-W244 VanDerWaalsContact CB-O 3.31Å; R223-W244 WeakPolarHBondContact CB-O 3.43Å; R223-W244 WeakPolarHBondContact CG-O 3.4Å; R223-W244 PolarHBondContact NE-O 2.93Å; A226-W244 HydrophobicContact CB-CE3 4.31Å; A226-W244 HydrophobicContact CB-CZ3 3.72Å; I229-W244 HydrophobicContact CD1-CE3 3.64Å; I229-W244 HydrophobicContact CD1-CZ3 4.17Å; I229-W244 HydrophobicContact CG1-CE3 3.96Å; I229-W244 HydrophobicContact CG1-CZ3 3.95Å; I229-W244 HydrophobicContact CG2-CE3 4.48Å; I229-W244 HydrophobicContact CG2-CZ3 4.39Å; I240-W244 HydrophobicContact CG2-CB 4.31Å; I240-W244 HydrophobicContact CG2-CD2 4.02Å; I240-W244 HydrophobicContact CG2-CE3 4.19Å; I240-W244 HydrophobicContact CG2-CG 4.08Å; I240-W244 WeakPolarHBondContact O-CA 3.36Å; I240-W244 VanDerWaalsContact O-CB 3.28Å; I240-W244 WeakPolarHBondContact O-CB 3.41Å; I240-W244 PolarHBondContact O-N 3.48Å; W244-K246 PolarHBondContact O-N 3.41Å
245	R	97.2	Very high	97	Very high	174 Å²	174	46.7 Å²	46.7	66%	0.657	23%	0.233	S	C	*	.			trans	57.3	41.9	177.1	-50.6	-175.7	-173.7	170.6	-3.5	113.7	V241 P247	V241-R245 WeakPolarHBondContact O-CA 3.07Å; V241-R245 PolarHBondContact O-N 3.23Å; R245-P247 VanDerWaalsContact C-CD 3.46Å
246	K	95.9	Very high	97	Very high	44 Å²	44	45.6 Å²	45.6	19%	0.191	23%	0.229	C	C	.	.			trans	-124.5	60.8	174.2	-70	-164.6	67.4	-179.7	0	112.4	R223 A226 D227 I229 W244 N248 S249 T250	R223-K246 HydrophobicContact CG-CD 4.36Å; R223-K246 HydrophobicContact CG-CG 4.1Å; A226-K246 PolarHBondContact O-NZ 2.98Å; D227-K246 PolarHBondContact O-NZ 3.02Å; I229-K246 HydrophobicContact CD1-CB 3.85Å; I229-K246 HydrophobicContact CD1-CD 4.25Å; W244-K246 PolarHBondContact O-N 3.41Å; K246-N248 VanDerWaalsContact C-N 3.29Å; K246-N248 PolarHBondContact O-N 3.42Å; K246-S249 WeakPolarHBondContact CE-OG 3.31Å; K246-S249 PolarHBondContact O-N 2.97Å; K246-T250 WeakPolarHBondContact O-CB 3.26Å; K246-T250 PolarHBondContact O-N 3.11Å; K246-T250 PolarHBondContact O-OG1 2.81Å
247	P	97	Very high	96.9	Very high	71 Å²	71	45.7 Å²	45.7	46%	0.461	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-57.3	-40.5	-177.1	23.7	-33.4	0	0	0	113	V241 R245 S249 T250	V241-P247 HydrophobicContact CG1-CB 4Å; V241-P247 HydrophobicContact CG2-CB 4.49Å; R245-P247 VanDerWaalsContact C-CD 3.46Å; P247-S249 PolarHBondContact O-N 3.13Å; P247-T250 PolarHBondContact O-N 3.19Å; P247-T250 VanDerWaalsContact O-N 3.15Å
248	N	96.6	Very high	96.4	Very high	147 Å²	147	44.4 Å²	44.4	79%	0.786	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-71.2	-17.5	-176.8	-62	-10.3	0	0	0	113.9	K246 Y251	K246-N248 VanDerWaalsContact C-N 3.29Å; K246-N248 PolarHBondContact O-N 3.42Å; N248-Y251 PolarHBondContact O-OH 3.49Å
249	S	96.6	Very high	96	Very high	30 Å²	30	42.7 Å²	42.7	21%	0.21	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-108.6	8.4	175.8	-46	0	0	0	0	112.3	I229 K246 P247	I229-S249 WeakPolarHBondContact CB-O 3.44Å; I229-S249 PolarHBondContact N-O 2.86Å; K246-S249 WeakPolarHBondContact CE-OG 3.31Å; K246-S249 PolarHBondContact O-N 2.97Å; P247-S249 PolarHBondContact O-N 3.13Å
250	T	98.1	Very high	95.7	Very high	3 Å²	3	45 Å²	45	2%	0.018	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	107.6	-178.4	-54.9	0	0	0	0	111.2	I229 V231 K237 I240 V241 K246 P247	I229-T250 HydrophobicContact CB-CG2 4.41Å; I229-T250 HydrophobicContact CG2-CG2 4.03Å; I229-T250 CarbonylContact O-C 3.58Å; I229-T250 WeakPolarHBondContact O-CA 3.28Å; V231-T250 HydrophobicContact CG1-CG2 4.07Å; V231-T250 HydrophobicContact CG2-CG2 4.19Å; K237-T250 WeakPolarHBondContact CE-O 3.23Å; K237-T250 HydrophobicContact CG-CG2 4.04Å; K237-T250 PolarHBondContact NZ-O 3.42Å; I240-T250 HydrophobicContact CG2-CG2 4.38Å; V241-T250 HydrophobicContact CG2-CG2 4.03Å; K246-T250 WeakPolarHBondContact O-CB 3.26Å; K246-T250 PolarHBondContact O-N 3.11Å; K246-T250 PolarHBondContact O-OG1 2.81Å; P247-T250 PolarHBondContact O-N 3.19Å; P247-T250 VanDerWaalsContact O-N 3.15Å
251	Y	98.3	Very high	95.4	Very high	80 Å²	80	49.5 Å²	49.5	31%	0.314	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	131.2	-174.7	-55.8	-82.8	0	0	0	110.9	T228 I229 M230 V231 N248 V253 I461	T228-Y251 HydrophobicContact CG2-CD2 4.11Å; T228-Y251 HydrophobicContact CG2-CE2 4.08Å; I229-Y251 PolarHBondContact O-N 2.85Å; M230-Y251 WeakPolarHBondContact CA-O 3Å; V231-Y251 WeakPolarHBondContact CG2-O 3.09Å; V231-Y251 PolarHBondContact N-O 2.73Å; N248-Y251 PolarHBondContact O-OH 3.49Å; Y251-V253 PolarHBondContact O-N 3.43Å; Y251-I461 VanDerWaalsContact CB-CD1 3.5Å; Y251-I461 HydrophobicContact CD1-CD1 4.3Å; Y251-I461 HydrophobicContact CD1-CG1 4.31Å; Y251-I461 HydrophobicContact CD2-CD1 4.26Å; Y251-I461 HydrophobicContact CD2-CG1 4.3Å; Y251-I461 HydrophobicContact CD2-CG2 4.1Å; Y251-I461 HydrophobicContact CE2-CG2 4.4Å; Y251-I461 HydrophobicContact CG-CD1 3.77Å; Y251-I461 HydrophobicContact CG-CG1 4.05Å
252	L	98.2	Very high	95.3	Very high	49 Å²	49	47.6 Å²	47.6	26%	0.257	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	115.9	172	178.7	60.1	0	0	0	108.1	V231 S233 K237 F254 Q457	V231-L252 HydrophobicContact CG2-CD1 4.34Å; S233-L252 VanDerWaalsContact CA-CD1 3.49Å; S233-L252 WeakPolarHBondContact O-CD1 3.35Å; K237-L252 HydrophobicContact CD-CB 4.17Å; L252-F254 HydrophobicContact CD1-CD1 4.21Å; L252-F254 HydrophobicContact CD1-CE1 3.82Å; L252-F254 HydrophobicContact CD1-CZ 4.3Å; L252-F254 HydrophobicContact CD2-CE1 3.99Å; L252-F254 HydrophobicContact CD2-CE2 4.28Å; L252-F254 HydrophobicContact CD2-CZ 3.64Å; L252-F254 HydrophobicContact CG-CE1 4.04Å; L252-F254 HydrophobicContact CG-CE2 4.48Å; L252-F254 HydrophobicContact CG-CZ 4.02Å; L252-Q457 PolarHBondContact O-OE1 2.83Å
253	V	98.2	Very high	95.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.214	C	C	.	.			trans	-133.3	95.6	-179.8	-175.2	0	0	0	0	107.3	Y170 M230 V231 Y251 F454 Q457 I461	Y170-V253 HydrophobicContact CE2-CB 4.04Å; Y170-V253 HydrophobicContact CE2-CG1 4.11Å; Y170-V253 VanDerWaalsContact CE2-O 3.23Å; Y170-V253 WeakPolarHBondContact CE2-O 3.44Å; Y170-V253 PolarHBondContact OH-O 2.71Å; M230-V253 HydrophobicContact CB-CB 4.37Å; M230-V253 HydrophobicContact CB-CG2 4.1Å; M230-V253 HydrophobicContact CG-CG2 3.88Å; M230-V253 HydrophobicContact SD-CG2 4.35Å; V231-V253 CarbonylContact O-C 3.57Å; V231-V253 PolarHBondContact O-N 3.38Å; Y251-V253 PolarHBondContact O-N 3.43Å; V253-F454 HydrophobicContact CG1-CD2 3.66Å; V253-F454 HydrophobicContact CG1-CE2 3.99Å; V253-Q457 HydrophobicContact CG1-CB 4.15Å; V253-Q457 HydrophobicContact CG2-CB 4.44Å; V253-I461 HydrophobicContact CG2-CD1 3.41Å; V253-I461 VanDerWaalsContact CG2-CD1 3.41Å
254	F	97.9	Very high	95	Very high	30 Å²	30	48.3 Å²	48.3	13%	0.132	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-58.7	146.6	-178.9	-64.2	-57.2	0	0	0	111.6	N232 L252 F375 D400 F449 F454	N232-F254 WeakPolarHBondContact O-CD1 3.28Å; L252-F254 HydrophobicContact CD1-CD1 4.21Å; L252-F254 HydrophobicContact CD1-CE1 3.82Å; L252-F254 HydrophobicContact CD1-CZ 4.3Å; L252-F254 HydrophobicContact CD2-CE1 3.99Å; L252-F254 HydrophobicContact CD2-CE2 4.28Å; L252-F254 HydrophobicContact CD2-CZ 3.64Å; L252-F254 HydrophobicContact CG-CE1 4.04Å; L252-F254 HydrophobicContact CG-CE2 4.48Å; L252-F254 HydrophobicContact CG-CZ 4.02Å; F254-F375 HydrophobicContact CB-CE2 4.22Å; F254-F375 HydrophobicContact CB-CZ 4.38Å; F254-F375 AromaticContact CD1-CD2 3.98Å; F254-F375 HydrophobicContact CD1-CD2 3.98Å; F254-F375 AromaticContact CD1-CE2 3.44Å; F254-F375 HydrophobicContact CD1-CE2 3.44Å; F254-F375 VanDerWaalsContact CD1-CE2 3.44Å; F254-F375 HydrophobicContact CD1-CZ 4.35Å; F254-F375 HydrophobicContact CE1-CE2 4.08Å; F254-F375 HydrophobicContact CG-CE2 4.08Å; F254-D400 HydrophobicContact CE1-CB 3.69Å; F254-D400 WeakPolarHBondContact CE1-OD1 3.44Å; F254-D400 HydrophobicContact CZ-CB 4.09Å; F254-F449 HydrophobicContact CB-CD1 3.75Å; F254-F449 HydrophobicContact CB-CE1 4.34Å; F254-F449 HydrophobicContact CD1-CD1 4.26Å; F254-F449 AromaticContact CD1-CE1 3.99Å; F254-F449 HydrophobicContact CD1-CE1 3.99Å; F254-F449 AromaticContact CD2-CD1 3.72Å; F254-F449 HydrophobicContact CD2-CD1 3.72Å; F254-F449 AromaticContact CD2-CE1 3.7Å; F254-F449 HydrophobicContact CD2-CE1 3.7Å; F254-F449 HydrophobicContact CE1-CE1 4.19Å; F254-F449 HydrophobicContact CE2-CD1 4.38Å; F254-F449 AromaticContact CE2-CE1 3.9Å; F254-F449 HydrophobicContact CE2-CE1 3.9Å; F254-F449 AromaticContact CG-CD1 3.65Å; F254-F449 HydrophobicContact CG-CD1 3.65Å; F254-F449 AromaticContact CG-CE1 3.75Å; F254-F449 HydrophobicContact CG-CE1 3.75Å; F254-F449 HydrophobicContact CZ-CE1 4.14Å; F254-F454 VanDerWaalsContact O-CD2 3.31Å; F254-F454 WeakPolarHBondContact O-CD2 3.04Å
255	P	96.8	Very high	94.8	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.019	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-65.9	146.8	-179.2	28.9	-34	0	0	0	110.3	V56 Y170 N232 C257 F375 I377	V56-P255 HydrophobicContact CG2-CB 4.08Å; Y170-P255 VanDerWaalsContact OH-CA 3.31Å; Y170-P255 WeakPolarHBondContact OH-CA 3.38Å; Y170-P255 VanDerWaalsContact OH-N 3.17Å; N232-P255 WeakPolarHBondContact O-CD 3.42Å; P255-C257 PolarHBondContact O-N 3.44Å; P255-C257 PolarHBondContact O-SG 2.83Å; P255-F375 HydrophobicContact CG-CB 4.3Å; P255-F375 HydrophobicContact CG-CD1 3.2Å; P255-F375 HydrophobicContact CG-CD2 4.27Å; P255-F375 HydrophobicContact CG-CE1 3.44Å; P255-F375 VanDerWaalsContact CG-CE1 3.44Å; P255-F375 HydrophobicContact CG-CE2 4.47Å; P255-F375 HydrophobicContact CG-CG 3.66Å; P255-F375 HydrophobicContact CG-CZ 4.09Å; P255-I377 HydrophobicContact CB-CD1 4.33Å; P255-I377 HydrophobicContact CG-CD1 4.39Å; P255-I377 HydrophobicContact CG-CG1 4.21Å
256	P	95.7	Very high	94.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-66.1	123.7	179.5	28	-31.1	0	0	0	109.2	R55 V56 C59 T451 F454	R55-P256 WeakPolarHBondContact CD-O 3.44Å; R55-P256 HydrophobicContact CG-CG 4.29Å; R55-P256 PolarHBondContact NE-O 2.93Å; V56-P256 VanDerWaalsContact CG2-CD 3.47Å; V56-P256 HydrophobicContact CG2-CG 4.22Å; C59-P256 HydrophobicContact CB-CB 4.21Å; C59-P256 HydrophobicContact CB-CG 3.8Å; C59-P256 VanDerWaalsContact SG-CG 3.57Å; P256-T451 HydrophobicContact CB-CG2 3.94Å; P256-F454 HydrophobicContact CB-CB 3.9Å; P256-F454 HydrophobicContact CB-CD1 3.93Å; P256-F454 HydrophobicContact CB-CG 3.89Å; P256-F454 HydrophobicContact CG-CD1 3.94Å; P256-F454 HydrophobicContact CG-CD2 4.38Å; P256-F454 HydrophobicContact CG-CE1 4.27Å; P256-F454 HydrophobicContact CG-CG 4.02Å
257	C	93.6	Very high	94.5	Very high	2 Å²	2	44 Å²	44	1%	0.014	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-112.5	125.6	173.4	-57.8	0	0	0	0	108.8	P255 F259 V380 F449 T451	P255-C257 PolarHBondContact O-N 3.44Å; P255-C257 PolarHBondContact O-SG 2.83Å; C257-F259 HydrophobicContact CB-CD1 3.78Å; C257-F259 HydrophobicContact CB-CE1 4.02Å; C257-V380 HydrophobicContact CB-CG1 4.12Å; C257-F449 HydrophobicContact CB-CB 4.24Å; C257-F449 WeakPolarHBondContact CB-O 3.46Å; C257-F449 PolarHBondContact N-O 2.81Å; C257-T451 PolarHBondContact O-OG1 3.5Å
258	D	87.9	Confident	94.1	Very high	43 Å²	43	46 Å²	46	23%	0.23	24%	0.244	C	C	.	.			trans	-101.1	106.8	167.9	177.5	13.1	0	0	0	107.6	R55 S260	R55-D258 VanDerWaalsContact CZ-N 3.27Å; D258-S260 VanDerWaalsContact OD1-CB 3.25Å; D258-S260 WeakPolarHBondContact OD1-CB 3.38Å; D258-S260 PolarHBondContact OD1-N 3.38Å; D258-S260 PolarHBondContact OD1-OG 3.27Å
259	F	87.8	Confident	93.5	Very high	7 Å²	7	39.7 Å²	39.7	3%	0.031	21%	0.209	C	C	.	.			trans	-120.6	18.6	174.7	50.3	-104.2	0	0	0	111.3	C257 K261 F262 S263 V380 A384 T446 R450	C257-F259 HydrophobicContact CB-CD1 3.78Å; C257-F259 HydrophobicContact CB-CE1 4.02Å; F259-K261 VanDerWaalsContact C-N 3.3Å; F259-K261 PolarHBondContact O-N 3.37Å; F259-F262 HydrophobicContact CB-CB 4.3Å; F259-F262 HydrophobicContact CB-CD2 4.05Å; F259-F262 PolarHBondContact O-N 2.92Å; F259-S263 WeakPolarHBondContact CD2-OG 3.38Å; F259-S263 PolarHBondContact O-N 3.44Å; F259-S263 PolarHBondContact O-OG 3.31Å; F259-V380 HydrophobicContact CD1-CG1 3.89Å; F259-V380 HydrophobicContact CE1-CG1 4.06Å; F259-A384 HydrophobicContact CB-CB 3.47Å; F259-A384 VanDerWaalsContact CB-CB 3.47Å; F259-A384 HydrophobicContact CD2-CB 3.95Å; F259-A384 HydrophobicContact CG-CB 3.76Å; F259-T446 VanDerWaalsContact CE1-O 3.31Å; F259-T446 WeakPolarHBondContact CE1-O 3.38Å; F259-T446 WeakPolarHBondContact CE2-OG1 3.42Å; F259-T446 WeakPolarHBondContact CZ-O 3.36Å; F259-R450 HydrophobicContact CE1-CG 4.22Å; F259-R450 HydrophobicContact CE2-CG 4.16Å; F259-R450 HydrophobicContact CZ-CG 3.51Å
260	S	89	Confident	92	Very high	65 Å²	65	47.5 Å²	47.5	46%	0.455	24%	0.243	S	C	.	.	H	α-helix	trans	-52.7	-48.8	180	58.2	0	0	0	0	111.3	D258 F262 S263 L264	D258-S260 VanDerWaalsContact OD1-CB 3.25Å; D258-S260 WeakPolarHBondContact OD1-CB 3.38Å; D258-S260 PolarHBondContact OD1-N 3.38Å; D258-S260 PolarHBondContact OD1-OG 3.27Å; S260-F262 PolarHBondContact O-N 2.71Å; S260-S263 PolarHBondContact O-N 3.37Å; S260-L264 WeakPolarHBondContact O-CG 3.31Å; S260-L264 PolarHBondContact O-N 3.37Å
261	K	91.7	Very high	90.5	Very high	94 Å²	94	51.2 Å²	51.2	41%	0.409	26%	0.262	S	S	.	.	H	α-helix	trans	-68.6	-28.2	177.1	-66.5	-175.2	177.8	-177.9	0	114	F259 F353	F259-K261 VanDerWaalsContact C-N 3.3Å; F259-K261 PolarHBondContact O-N 3.37Å; K261-F353 HydrophobicContact CB-CE1 4.12Å; K261-F353 HydrophobicContact CB-CZ 4.18Å; K261-F353 HydrophobicContact CD-CD1 4.39Å; K261-F353 HydrophobicContact CD-CE1 3.48Å; K261-F353 VanDerWaalsContact CD-CE1 3.48Å; K261-F353 HydrophobicContact CD-CZ 4.08Å; K261-F353 HydrophobicContact CG-CE1 4.43Å
262	F	93.8	Very high	89.2	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-78	-38.6	176.7	-62.6	-57.7	0	0	0	111.5	F259 S260 L264 L265 F353 L356 R357 L360 E381 A384 A385	F259-F262 HydrophobicContact CB-CB 4.3Å; F259-F262 HydrophobicContact CB-CD2 4.05Å; F259-F262 PolarHBondContact O-N 2.92Å; S260-F262 PolarHBondContact O-N 2.71Å; F262-L264 PolarHBondContact O-N 2.81Å; F262-L265 HydrophobicContact CD1-CD1 4.32Å; F262-L265 VanDerWaalsContact O-CB 3.29Å; F262-L265 WeakPolarHBondContact O-CB 3.31Å; F262-L265 WeakPolarHBondContact O-CG 3.23Å; F262-L265 PolarHBondContact O-N 3.44Å; F262-L265 VanDerWaalsContact O-N 3.07Å; F262-F353 HydrophobicContact CE1-CE2 4.27Å; F262-F353 HydrophobicContact CE1-CZ 4.12Å; F262-F353 AromaticContact CE2-CE2 3.96Å; F262-F353 HydrophobicContact CE2-CE2 3.96Å; F262-F353 HydrophobicContact CE2-CZ 4.09Å; F262-F353 HydrophobicContact CZ-CD2 4.47Å; F262-F353 AromaticContact CZ-CE2 3.5Å; F262-F353 HydrophobicContact CZ-CE2 3.5Å; F262-F353 AromaticContact CZ-CZ 3.7Å; F262-F353 HydrophobicContact CZ-CZ 3.7Å; F262-L356 HydrophobicContact CZ-CD2 4.36Å; F262-R357 HydrophobicContact CD1-CB 4.29Å; F262-R357 HydrophobicContact CD1-CG 3.97Å; F262-R357 HydrophobicContact CE1-CB 3.9Å; F262-R357 HydrophobicContact CE1-CG 4.09Å; F262-L360 HydrophobicContact CD1-CD1 4.14Å; F262-L360 HydrophobicContact CE1-CD1 3.75Å; F262-L360 HydrophobicContact CZ-CD1 4.15Å; F262-E381 HydrophobicContact CD2-CB 4.11Å; F262-E381 HydrophobicContact CD2-CG 4.13Å; F262-E381 HydrophobicContact CE2-CB 3.94Å; F262-E381 HydrophobicContact CE2-CG 3.78Å; F262-A384 HydrophobicContact CB-CB 4.09Å; F262-A385 HydrophobicContact CB-CB 4.18Å; F262-A385 HydrophobicContact CD1-CB 4.36Å
263	S	93	Very high	88.4	Confident	29 Å²	29	54.2 Å²	54.2	20%	0.203	28%	0.279	C	S	.	.	H	α-helix	trans	-66.2	-20.3	177.7	-71.8	0	0	0	0	113.7	F259 S260 L265 R443	F259-S263 WeakPolarHBondContact CD2-OG 3.38Å; F259-S263 PolarHBondContact O-N 3.44Å; F259-S263 PolarHBondContact O-OG 3.31Å; S260-S263 PolarHBondContact O-N 3.37Å; S263-L265 VanDerWaalsContact C-N 3.28Å; S263-R443 PolarHBondContact O-NH1 3.5Å; S263-R443 VanDerWaalsContact O-NH1 3.09Å
264	L	94.3	Very high	88.1	Confident	143 Å²	143	57.8 Å²	57.8	75%	0.749	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-14.7	173.4	-67.4	174.6	0	0	0	113.4	S260 F262	S260-L264 WeakPolarHBondContact O-CG 3.31Å; S260-L264 PolarHBondContact O-N 3.37Å; F262-L264 PolarHBondContact O-N 2.81Å
265	L	94	Very high	87.9	Confident	26 Å²	26	56.6 Å²	56.6	14%	0.136	29%	0.293	C	S	.	.	S	Bend	trans	-67.8	140.4	179.1	-65.6	165.3	0	0	0	110.2	F262 S263 R357 A385 R443	F262-L265 HydrophobicContact CD1-CD1 4.32Å; F262-L265 VanDerWaalsContact O-CB 3.29Å; F262-L265 WeakPolarHBondContact O-CB 3.31Å; F262-L265 WeakPolarHBondContact O-CG 3.23Å; F262-L265 PolarHBondContact O-N 3.44Å; F262-L265 VanDerWaalsContact O-N 3.07Å; S263-L265 VanDerWaalsContact C-N 3.28Å; L265-R357 HydrophobicContact CD1-CG 3.94Å; L265-R357 HydrophobicContact CD2-CG 4.19Å; L265-R357 HydrophobicContact CG-CG 4.36Å; L265-A385 HydrophobicContact CD1-CB 3.9Å; L265-R443 PolarHBondContact O-NH1 2.81Å; L265-R443 PolarHBondContact O-NH2 2.88Å
266	P	93.5	Very high	87.9	Confident	86 Å²	86	57.4 Å²	57.4	56%	0.558	30%	0.298	S	S	*	.			trans	-58.2	148.8	173.2	26.3	-33.6	0	0	0	109.9	R269	P266-R269 PolarHBondContact O-NH1 3.08Å
267	L	92.7	Very high	88.1	Confident	15 Å²	15	57.5 Å²	57.5	8%	0.079	30%	0.298	C	S	.	.	S	Bend	trans	-88.5	-32.6	175.2	-73.7	-177.5	0	0	0	112.4	R269 G386 M436 Q439 L440	L267-R269 VanDerWaalsContact C-NH1 3.34Å; L267-R269 PolarHBondContact O-NH1 3.31Å; L267-G386 VanDerWaalsContact CD2-CA 3.5Å; L267-M436 HydrophobicContact CB-CE 3.74Å; L267-M436 HydrophobicContact CB-SD 3.48Å; L267-M436 WeakPolarHBondContact CB-SD 3.32Å; L267-M436 HydrophobicContact CD1-SD 3.74Å; L267-M436 HydrophobicContact CG-SD 4.26Å; L267-Q439 HydrophobicContact CD1-CB 4.15Å; L267-Q439 HydrophobicContact CD2-CB 3.86Å; L267-Q439 HydrophobicContact CG-CB 4.45Å; L267-Q439 PolarHBondContact O-NE2 2.84Å; L267-Q439 PolarHBondContact O-OE1 3.31Å; L267-L440 HydrophobicContact CD1-CD2 3.47Å; L267-L440 VanDerWaalsContact CD1-CD2 3.47Å; L267-L440 HydrophobicContact CD1-CG 3.72Å
268	E	88.9	Confident	88.3	Confident	113 Å²	113	57.4 Å²	57.4	53%	0.528	30%	0.298	S	S	.	.	S	Bend	trans	-68.3	140.7	170.1	-168.2	160.1	-155.5	0	0	109	M436	E268-M436 HydrophobicContact CB-CE 4.01Å
269	R	82.8	Confident	88.8	Confident	15 Å²	15	55.6 Å²	55.6	6%	0.057	29%	0.288	C	S	.	.			trans	-104.6	117.5	176.7	-58.1	-67.9	177.3	-108.7	15.8	106	P266 L267 D271 G361 A363 I364 A385 G386	P266-R269 PolarHBondContact O-NH1 3.08Å; L267-R269 VanDerWaalsContact C-NH1 3.34Å; L267-R269 PolarHBondContact O-NH1 3.31Å; R269-D271 VanDerWaalsContact C-N 3.3Å; R269-G361 VanDerWaalsContact CD-O 3.3Å; R269-G361 WeakPolarHBondContact CD-O 3.25Å; R269-G361 PolarHBondContact NE-O 3.29Å; R269-G361 PolarHBondContact NH1-O 3.08Å; R269-G361 PolarHBondContact NH2-O 2.56Å; R269-A363 PolarHBondContact NE-O 2.93Å; R269-A363 PolarHBondContact NH2-O 3.35Å; R269-I364 HydrophobicContact CG-CG2 4.13Å; R269-A385 PolarHBondContact NH2-O 3.34Å; R269-G386 VanDerWaalsContact NH2-C 3.34Å; R269-G386 PolarHBondContact NH2-O 3.34Å
270	E	66	Low	89.2	Confident	195 Å²	195	56.4 Å²	56.4	91%	0.911	29%	0.294	S	S	*	.	S	Bend	trans	-66.8	-37.1	-178.1	-65	-178.5	175	0	0	111.1
271	D	66.7	Low	89.3	Confident	81 Å²	81	54.1 Å²	54.1	43%	0.433	28%	0.281	S	S	.	.			trans	-100.5	96.3	-178.2	-170.4	10.9	0	0	0	111.1	R269 Q273	R269-D271 VanDerWaalsContact C-N 3.3Å; D271-Q273 WeakPolarHBondContact OD1-CA 3.19Å; D271-Q273 WeakPolarHBondContact OD1-CB 3.33Å; D271-Q273 WeakPolarHBondContact OD1-CG 3.42Å; D271-Q273 PolarHBondContact OD1-N 2.97Å
272	D	70.5	Confident	89.3	Confident	44 Å²	44	51.8 Å²	51.8	24%	0.235	27%	0.271	C	S	.	.			trans	-77.4	-6.7	167	-77.8	-45.5	0	0	0	111.2	L274 R311 K432 R435	D272-L274 PolarHBondContact O-N 3.04Å; D272-R311 PolarHBondContact O-NE 2.91Å; D272-R311 PolarHBondContact O-NH2 3.28Å; D272-K432 WeakPolarHBondContact OD2-CE 3.36Å; D272-K432 IonicContact OD2-NZ 3.89Å; D272-K432 PolarHBondContact OD2-NZ 3.04Å; D272-R435 IonicContact OD1-NH1 3.05Å; D272-R435 PolarHBondContact OD1-NH1 2.79Å
273	Q	81.5	Confident	89.3	Confident	148 Å²	148	51.8 Å²	51.8	69%	0.692	27%	0.271	S	S	*	.	S	Bend	trans	-61.7	-43.2	-177	-60	-175.4	1.5	0	0	111.8	D271 R311	D271-Q273 WeakPolarHBondContact OD1-CA 3.19Å; D271-Q273 WeakPolarHBondContact OD1-CB 3.33Å; D271-Q273 WeakPolarHBondContact OD1-CG 3.42Å; D271-Q273 PolarHBondContact OD1-N 2.97Å; Q273-R311 VanDerWaalsContact O-CB 3.24Å; Q273-R311 WeakPolarHBondContact O-CB 3.31Å; Q273-R311 WeakPolarHBondContact O-CD 3.27Å; Q273-R311 WeakPolarHBondContact O-CG 3.35Å; Q273-R311 PolarHBondContact O-NE 3.08Å
274	L	91.2	Very high	89.2	Confident	75 Å²	75	54.1 Å²	54.1	39%	0.393	28%	0.276	S	S	.	.	S	Bend	trans	-109.8	127.9	176.1	-67.9	176.6	0	0	0	112.1	D272 T276 R313	D272-L274 PolarHBondContact O-N 3.04Å; L274-T276 PolarHBondContact O-N 3.43Å; L274-R313 HydrophobicContact CD2-CG 4.25Å
275	L	95	Very high	89.1	Confident	4 Å²	4	51.4 Å²	51.4	2%	0.021	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	86.8	179.4	-61.8	-176.3	0	0	0	109.4	L308 R311 V312 R313 I364 L428	L275-L308 HydrophobicContact CD1-CD1 3.35Å; L275-R311 HydrophobicContact CG-CB 4.47Å; L275-R311 PolarHBondContact N-O 3.34Å; L275-V312 HydrophobicContact CB-CG2 4.46Å; L275-V312 WeakPolarHBondContact O-CA 3.41Å; L275-R313 PolarHBondContact O-N 3.11Å; L275-I364 HydrophobicContact CB-CD1 3.63Å; L275-I364 HydrophobicContact CD2-CD1 3.96Å; L275-I364 HydrophobicContact CG-CD1 4.26Å; L275-L428 HydrophobicContact CB-CD2 4.18Å; L275-L428 HydrophobicContact CD1-CD2 4.28Å
276	T	96.8	Very high	89	Confident	21 Å²	21	52.5 Å²	52.5	13%	0.129	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	124.4	-172.6	-61.3	0	0	0	0	112.9	L274 V278 V315 A363 I364	L274-T276 PolarHBondContact O-N 3.43Å; T276-V278 HydrophobicContact CG2-CG1 4.06Å; T276-V315 HydrophobicContact CG2-CB 4.34Å; T276-V315 HydrophobicContact CG2-CG2 3.57Å; T276-A363 WeakPolarHBondContact O-CA 3.27Å; T276-I364 WeakPolarHBondContact O-CG1 3.49Å; T276-I364 PolarHBondContact O-N 3.15Å
277	I	98.4	Very high	89	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	126.1	169.9	-57.4	167.7	0	0	0	107.6	F296 L299 V312 R313 L314 V315 A365 I367 L424	I277-F296 HydrophobicContact CD1-CD2 4.22Å; I277-F296 HydrophobicContact CD1-CE2 4.15Å; I277-L299 HydrophobicContact CD1-CD2 3.37Å; I277-V312 HydrophobicContact CD1-CG1 3.84Å; I277-V312 HydrophobicContact CG1-CG1 4.47Å; I277-R313 PolarHBondContact N-O 3.39Å; I277-L314 HydrophobicContact CB-CD1 4.4Å; I277-L314 HydrophobicContact CG2-CD1 4.17Å; I277-L314 CarbonylContact O-C 3.5Å; I277-L314 WeakPolarHBondContact O-CA 3.09Å; I277-V315 PolarHBondContact O-N 3Å; I277-A365 WeakPolarHBondContact CA-O 3.39Å; I277-A365 HydrophobicContact CG1-CB 4.25Å; I277-I367 HydrophobicContact CG2-CB 4.14Å; I277-I367 HydrophobicContact CG2-CG2 3.91Å; I277-L424 HydrophobicContact CD1-CD1 4.37Å; I277-L424 HydrophobicContact CD1-CD2 4.13Å; I277-L424 HydrophobicContact CG1-CD2 4.43Å; I277-L424 HydrophobicContact CG2-CD2 4.07Å
278	V	98.5	Very high	89.1	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	141.2	179.1	-69.8	0	0	0	0	111.6	T276 V315 I317 L360 A363 A365 G366 I367 M382	T276-V278 HydrophobicContact CG2-CG1 4.06Å; V278-V315 WeakPolarHBondContact CA-O 3.41Å; V278-V315 HydrophobicContact CG1-CB 4.2Å; V278-I317 HydrophobicContact CG1-CD1 4.4Å; V278-L360 HydrophobicContact CB-CD2 4.27Å; V278-L360 HydrophobicContact CG2-CD2 3.64Å; V278-A363 HydrophobicContact CB-CB 4.11Å; V278-A363 HydrophobicContact CG1-CB 3.54Å; V278-A363 HydrophobicContact CG2-CB 3.47Å; V278-A363 VanDerWaalsContact CG2-CB 3.47Å; V278-A365 PolarHBondContact N-O 3.21Å; V278-G366 CarbonylContact O-C 3.43Å; V278-G366 VanDerWaalsContact O-CA 3.31Å; V278-G366 WeakPolarHBondContact O-CA 3.45Å; V278-I367 PolarHBondContact O-N 2.91Å; V278-M382 HydrophobicContact CG2-CG 4.36Å; V278-M382 HydrophobicContact CG2-SD 3.95Å
279	S	98.5	Very high	89.6	Confident	5 Å²	5	47.1 Å²	47.1	4%	0.035	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130	163.4	-164.8	0	0	0	0	108.9	V315 I317 I367	S279-V315 PolarHBondContact N-O 3.12Å; S279-I317 PolarHBondContact O-N 3.13Å; S279-I367 PolarHBondContact OG-O 3.09Å; S279-I367 VanDerWaalsContact OG-O 3.08Å
280	V	96.3	Very high	90.3	Very high	24 Å²	24	48 Å²	48	15%	0.145	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	121.6	-177.7	-175.5	0	0	0	0	110.6	I317 L356 L360 M382	V280-I317 WeakPolarHBondContact CA-O 3.47Å; V280-I317 HydrophobicContact CG2-CB 4.29Å; V280-I317 HydrophobicContact CG2-CD1 4.35Å; V280-L356 HydrophobicContact CG1-CD1 4.04Å; V280-L356 HydrophobicContact CG2-CD1 4.13Å; V280-L360 HydrophobicContact CG2-CD2 3.69Å; V280-M382 HydrophobicContact CG2-CG 4.48Å; V280-M382 HydrophobicContact CG2-SD 4.43Å
281	G	91.5	Very high	91.9	Very high	18 Å²	18	39.4 Å²	39.4	19%	0.186	21%	0.207	C	C	.	.	S	Bend	trans	173.5	169.1	174.6	0	0	0	0	0	113.4	Y289 I317 G318	G281-Y289 WeakPolarHBondContact CA-OH 3.43Å; G281-Y289 PolarHBondContact O-OH 3.29Å; G281-Y289 VanDerWaalsContact O-OH 3.07Å; G281-I317 PolarHBondContact N-O 2.76Å; G281-G318 WeakPolarHBondContact O-CA 3.46Å
282	Q	90.8	Very high	93.4	Very high	44 Å²	44	35.6 Å²	35.6	21%	0.206	19%	0.187	C	C	.	.			trans	-69.6	138	173	-64.6	176.3	-0.8	0	0	110.4	R284 K287 Y289 R321	Q282-R284 HydrophobicContact CB-CG 4.01Å; Q282-R284 PolarHBondContact O-N 3.01Å; Q282-K287 WeakPolarHBondContact O-CG 3.34Å; Q282-Y289 VanDerWaalsContact C-OH 3.3Å; Q282-Y289 WeakPolarHBondContact O-CE2 3.25Å; Q282-Y289 PolarHBondContact O-OH 3.47Å; Q282-R321 VanDerWaalsContact NE2-CZ 3.34Å
283	F	93.9	Very high	94.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	-69.9	81.7	177.4	-68	-67.3	0	0	0	111	Y289 S319 D325 L329 L332 W347 V349	F283-Y289 HydrophobicContact CD1-CD2 4.31Å; F283-Y289 HydrophobicContact CD1-CE2 4Å; F283-S319 PolarHBondContact N-O 3.44Å; F283-D325 WeakPolarHBondContact O-CB 3.34Å; F283-L329 HydrophobicContact CD1-CD1 4.14Å; F283-L329 HydrophobicContact CD2-CD1 4.27Å; F283-L329 HydrophobicContact CE1-CD1 3.95Å; F283-L329 HydrophobicContact CE2-CD1 4.06Å; F283-L329 HydrophobicContact CG-CB 4.49Å; F283-L329 HydrophobicContact CG-CD1 4.31Å; F283-L329 HydrophobicContact CZ-CD1 3.9Å; F283-L332 HydrophobicContact CD1-CD1 4.15Å; F283-W347 AromaticContact CE1-CE3 3.96Å; F283-W347 HydrophobicContact CE1-CE3 3.96Å; F283-W347 AromaticContact CE1-CZ3 3.72Å; F283-W347 HydrophobicContact CE1-CZ3 3.72Å; F283-W347 HydrophobicContact CZ-CE3 4.01Å; F283-W347 HydrophobicContact CZ-CZ3 4.26Å; F283-V349 HydrophobicContact CE2-CG1 4.34Å; F283-V349 HydrophobicContact CE2-CG2 4.05Å
284	R	91.7	Very high	95.6	Very high	78 Å²	78	32.2 Å²	32.2	29%	0.294	17%	0.165	S	C	.	.			trans	-131.7	152.5	-178.4	-63	-170.8	173.5	178.5	-1.3	112.8	Q282 E286 K287 L328	Q282-R284 HydrophobicContact CB-CG 4.01Å; Q282-R284 PolarHBondContact O-N 3.01Å; R284-E286 VanDerWaalsContact C-N 3.3Å; R284-E286 VanDerWaalsContact CB-CD 3.5Å; R284-E286 HydrophobicContact CB-CG 4.46Å; R284-E286 VanDerWaalsContact CB-OE2 3.28Å; R284-E286 WeakPolarHBondContact CB-OE2 3.33Å; R284-E286 WeakPolarHBondContact CD-OE1 3.42Å; R284-E286 IonicContact NH1-OE1 3.13Å; R284-E286 PolarHBondContact O-N 3.15Å; R284-K287 WeakPolarHBondContact O-CB 3.45Å; R284-K287 PolarHBondContact O-N 3.48Å; R284-K287 VanDerWaalsContact O-N 3.12Å; R284-L328 VanDerWaalsContact CA-CD2 3.45Å
285	P	92	Very high	95.9	Very high	87 Å²	87	28.7 Å²	28.7	57%	0.565	15%	0.146	S	C	*	.	G	3₁₀ helix	trans	-59.2	-37.6	-175.9	-25	35	0	0	0	113.7	K287 D288 L328	P285-K287 PolarHBondContact O-N 3.2Å; P285-K287 VanDerWaalsContact O-N 3.13Å; P285-D288 PolarHBondContact O-N 3.48Å; P285-L328 HydrophobicContact CG-CD2 4.17Å
286	E	90.8	Very high	96.1	Very high	49 Å²	49	28.6 Å²	28.6	23%	0.229	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-63.5	-19.1	-179.1	65.2	-90.3	-156.1	0	0	113.5	Y191 R284 D288 M370	Y191-E286 HydrophobicContact CE1-CB 4.15Å; R284-E286 VanDerWaalsContact C-N 3.3Å; R284-E286 VanDerWaalsContact CB-CD 3.5Å; R284-E286 HydrophobicContact CB-CG 4.46Å; R284-E286 VanDerWaalsContact CB-OE2 3.28Å; R284-E286 WeakPolarHBondContact CB-OE2 3.33Å; R284-E286 WeakPolarHBondContact CD-OE1 3.42Å; R284-E286 IonicContact NH1-OE1 3.13Å; R284-E286 PolarHBondContact O-N 3.15Å; E286-D288 VanDerWaalsContact C-N 3.28Å; E286-D288 PolarHBondContact O-N 2.99Å; E286-M370 HydrophobicContact CB-CE 4.18Å; E286-M370 HydrophobicContact CB-SD 4.47Å; E286-M370 HydrophobicContact CG-CE 4.17Å; E286-M370 HydrophobicContact CG-SD 4.17Å; E286-M370 WeakPolarHBondContact O-CG 3.25Å
287	K	94.1	Very high	96.2	Very high	36 Å²	36	29.9 Å²	29.9	16%	0.157	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-77.3	-10.7	179.8	-65.4	-53.6	-172.6	-170.6	0	114.4	Q282 R284 P285 Y289 T369 M370 E373	Q282-K287 WeakPolarHBondContact O-CG 3.34Å; R284-K287 WeakPolarHBondContact O-CB 3.45Å; R284-K287 PolarHBondContact O-N 3.48Å; R284-K287 VanDerWaalsContact O-N 3.12Å; P285-K287 PolarHBondContact O-N 3.2Å; P285-K287 VanDerWaalsContact O-N 3.13Å; K287-Y289 HydrophobicContact CB-CD2 3.93Å; K287-Y289 HydrophobicContact CB-CE1 4.29Å; K287-Y289 HydrophobicContact CB-CE2 3.35Å; K287-Y289 HydrophobicContact CG-CE2 4.02Å; K287-Y289 PolarHBondContact O-N 3.41Å; K287-T369 PolarHBondContact O-OG1 3.25Å; K287-M370 HydrophobicContact CD-CB 4.09Å; K287-M370 HydrophobicContact CD-CG 4.47Å; K287-M370 HydrophobicContact CD-SD 3.77Å; K287-M370 PolarHBondContact NZ-SD 2.78Å; K287-M370 PolarHBondContact O-N 3.39Å; K287-E373 IonicContact NZ-OE1 3.11Å; K287-E373 PolarHBondContact NZ-OE1 3.18Å; K287-E373 IonicContact NZ-OE2 3.41Å; K287-E373 PolarHBondContact NZ-OE2 2.96Å
288	D	96	Very high	96.2	Very high	57 Å²	57	33.4 Å²	33.4	31%	0.305	16%	0.163	S	C	.	.			trans	48.8	52.7	178.2	-161	2.3	0	0	0	113.8	P285 E286 P290 L291 T292 T369	P285-D288 PolarHBondContact O-N 3.48Å; E286-D288 VanDerWaalsContact C-N 3.28Å; E286-D288 PolarHBondContact O-N 2.99Å; D288-P290 VanDerWaalsContact C-N 3.31Å; D288-L291 HydrophobicContact CB-CB 4.41Å; D288-L291 WeakPolarHBondContact O-CB 3.49Å; D288-L291 PolarHBondContact O-N 2.89Å; D288-L291 PolarHBondContact OD1-N 3.01Å; D288-T292 PolarHBondContact O-N 2.7Å; D288-T369 WeakPolarHBondContact O-CB 3.36Å; D288-T369 PolarHBondContact O-OG1 3.44Å
289	Y	98.1	Very high	96.2	Very high	7 Å²	7	33.4 Å²	33.4	3%	0.027	16%	0.163	C	C	.	.	H	α-helix	trans	-60.8	-29.4	171.6	-63.3	-66.2	0	0	0	114.7	G281 Q282 F283 K287 L291 T292 L293 M316 L332	G281-Y289 WeakPolarHBondContact CA-OH 3.43Å; G281-Y289 PolarHBondContact O-OH 3.29Å; G281-Y289 VanDerWaalsContact O-OH 3.07Å; Q282-Y289 VanDerWaalsContact C-OH 3.3Å; Q282-Y289 WeakPolarHBondContact O-CE2 3.25Å; Q282-Y289 PolarHBondContact O-OH 3.47Å; F283-Y289 HydrophobicContact CD1-CD2 4.31Å; F283-Y289 HydrophobicContact CD1-CE2 4Å; K287-Y289 HydrophobicContact CB-CD2 3.93Å; K287-Y289 HydrophobicContact CB-CE1 4.29Å; K287-Y289 HydrophobicContact CB-CE2 3.35Å; K287-Y289 HydrophobicContact CG-CE2 4.02Å; K287-Y289 PolarHBondContact O-N 3.41Å; Y289-L291 PolarHBondContact O-N 3.21Å; Y289-T292 WeakPolarHBondContact O-CA 3.44Å; Y289-T292 VanDerWaalsContact O-CB 3.31Å; Y289-T292 WeakPolarHBondContact O-CB 3.42Å; Y289-T292 PolarHBondContact O-N 2.87Å; Y289-L293 WeakPolarHBondContact O-CG 3.22Å; Y289-L293 PolarHBondContact O-N 3.44Å; Y289-M316 HydrophobicContact CD1-CE 3.44Å; Y289-M316 VanDerWaalsContact CD1-CE 3.44Å; Y289-M316 HydrophobicContact CE1-CE 4.01Å; Y289-M316 HydrophobicContact CG-CE 4.24Å; Y289-L332 HydrophobicContact CD2-CD1 3.8Å; Y289-L332 HydrophobicContact CG-CD1 3.92Å
290	P	98.3	Very high	96.2	Very high	33 Å²	33	33.8 Å²	33.8	21%	0.214	17%	0.165	C	C	.	.	H	α-helix	trans	-55.7	-37.7	170.2	-28.8	38.5	0	0	0	112.9	D288 L293 R294 L332 M335	D288-P290 VanDerWaalsContact C-N 3.31Å; P290-L293 PolarHBondContact O-N 3.35Å; P290-R294 WeakPolarHBondContact O-CG 3.48Å; P290-R294 PolarHBondContact O-N 3.02Å; P290-L332 HydrophobicContact CG-CD2 4.04Å; P290-M335 HydrophobicContact CB-CE 4.2Å; P290-M335 HydrophobicContact CB-SD 3.85Å; P290-M335 HydrophobicContact CG-CE 4.39Å; P290-M335 HydrophobicContact CG-SD 4.32Å
291	L	98.6	Very high	96.3	Very high	16 Å²	16	37.3 Å²	37.3	8%	0.084	18%	0.18	C	C	.	.	H	α-helix	trans	-64.2	-40.6	172.7	-180	56.2	0	0	0	111.8	D288 Y289 L293 R294 S295 T369 P417 Y420	D288-L291 HydrophobicContact CB-CB 4.41Å; D288-L291 WeakPolarHBondContact O-CB 3.49Å; D288-L291 PolarHBondContact O-N 2.89Å; D288-L291 PolarHBondContact OD1-N 3.01Å; Y289-L291 PolarHBondContact O-N 3.21Å; L291-L293 PolarHBondContact O-N 3.12Å; L291-R294 PolarHBondContact O-N 3.16Å; L291-S295 VanDerWaalsContact O-CB 3.25Å; L291-S295 WeakPolarHBondContact O-CB 3.27Å; L291-S295 PolarHBondContact O-N 3.49Å; L291-S295 PolarHBondContact O-OG 3.36Å; L291-T369 HydrophobicContact CB-CG2 4.15Å; L291-T369 HydrophobicContact CD2-CG2 4.12Å; L291-T369 HydrophobicContact CG-CG2 3.86Å; L291-P417 HydrophobicContact CD1-CG 3.74Å; L291-Y420 HydrophobicContact CD1-CD2 4.44Å; L291-Y420 HydrophobicContact CD2-CD2 4.49Å; L291-Y420 HydrophobicContact CD2-CE2 3.88Å; L291-Y420 HydrophobicContact CG-CD2 4.4Å; L291-Y420 HydrophobicContact CG-CE2 4.2Å
292	T	98.7	Very high	96.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-57.8	-49.5	174.8	-66.9	0	0	0	0	111.3	D288 Y289 S295 F296 L314 M316 I367 T369	D288-T292 PolarHBondContact O-N 2.7Å; Y289-T292 WeakPolarHBondContact O-CA 3.44Å; Y289-T292 VanDerWaalsContact O-CB 3.31Å; Y289-T292 WeakPolarHBondContact O-CB 3.42Å; Y289-T292 PolarHBondContact O-N 2.87Å; T292-S295 PolarHBondContact O-N 3.43Å; T292-F296 WeakPolarHBondContact O-CB 3.42Å; T292-F296 PolarHBondContact O-N 3.39Å; T292-L314 HydrophobicContact CG2-CD1 4.29Å; T292-L314 HydrophobicContact CG2-CD2 4.22Å; T292-M316 HydrophobicContact CG2-CE 3.94Å; T292-M316 HydrophobicContact CG2-SD 3.8Å; T292-I367 HydrophobicContact CG2-CD1 4.16Å; T292-I367 HydrophobicContact CG2-CG2 3.81Å; T292-T369 WeakPolarHBondContact OG1-CG2 3.33Å; T292-T369 PolarHBondContact OG1-OG1 2.99Å
293	L	98.8	Very high	96.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65	-44.7	-177.9	-63.5	-179.4	0	0	0	112.1	Y289 P290 L291 S295 F296 Q297 L314 L332 M335 A336 L339 I341 W347	Y289-L293 WeakPolarHBondContact O-CG 3.22Å; Y289-L293 PolarHBondContact O-N 3.44Å; P290-L293 PolarHBondContact O-N 3.35Å; L291-L293 PolarHBondContact O-N 3.12Å; L293-S295 VanDerWaalsContact C-N 3.35Å; L293-S295 PolarHBondContact O-N 3.38Å; L293-F296 PolarHBondContact O-N 3.36Å; L293-Q297 PolarHBondContact O-N 2.96Å; L293-L314 HydrophobicContact CD2-CD2 4.01Å; L293-L332 HydrophobicContact CD1-CB 4.37Å; L293-L332 HydrophobicContact CD1-CD2 4.15Å; L293-L332 WeakPolarHBondContact CD1-O 3.42Å; L293-M335 HydrophobicContact CD1-CB 4.16Å; L293-M335 HydrophobicContact CD1-CG 4.09Å; L293-M335 HydrophobicContact CD1-SD 4.12Å; L293-A336 HydrophobicContact CD1-CB 4.38Å; L293-A336 HydrophobicContact CD2-CB 4.39Å; L293-L339 HydrophobicContact CB-CD1 3.93Å; L293-I341 HydrophobicContact CB-CD1 4.05Å; L293-I341 HydrophobicContact CD2-CD1 4.05Å; L293-I341 WeakPolarHBondContact O-CD1 3.43Å; L293-W347 HydrophobicContact CD2-CH2 4.29Å; L293-W347 HydrophobicContact CD2-CZ2 4.36Å
294	R	98.8	Very high	96.7	Very high	122 Å²	122	42.9 Å²	42.9	46%	0.46	22%	0.216	S	C	.	.	H	α-helix	trans	-64.9	-37.9	175.9	-69.7	-179	-134.1	-109.4	5.3	112.5	P290 L291 F296 Q297 R298 L339 P417	P290-R294 WeakPolarHBondContact O-CG 3.48Å; P290-R294 PolarHBondContact O-N 3.02Å; L291-R294 PolarHBondContact O-N 3.16Å; R294-F296 VanDerWaalsContact C-N 3.31Å; R294-Q297 PolarHBondContact O-N 2.91Å; R294-R298 WeakPolarHBondContact O-CB 3.49Å; R294-R298 PolarHBondContact O-N 3.33Å; R294-L339 HydrophobicContact CG-CD1 4.34Å; R294-P417 HydrophobicContact CB-CB 4.28Å; R294-P417 HydrophobicContact CB-CG 4.06Å
295	S	98.8	Very high	96.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.8	-40.1	175.4	-58.3	0	0	0	0	111.3	L291 T292 L293 R298 L299 Y420	L291-S295 VanDerWaalsContact O-CB 3.25Å; L291-S295 WeakPolarHBondContact O-CB 3.27Å; L291-S295 PolarHBondContact O-N 3.49Å; L291-S295 PolarHBondContact O-OG 3.36Å; T292-S295 PolarHBondContact O-N 3.43Å; L293-S295 VanDerWaalsContact C-N 3.35Å; L293-S295 PolarHBondContact O-N 3.38Å; S295-R298 PolarHBondContact O-N 2.84Å; S295-L299 WeakPolarHBondContact O-CB 3.25Å; S295-L299 PolarHBondContact O-N 3.07Å; S295-Y420 VanDerWaalsContact CB-CB 3.49Å; S295-Y420 VanDerWaalsContact OG-CB 3.31Å; S295-Y420 WeakPolarHBondContact OG-CB 3.49Å
296	F	98.8	Very high	96.9	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.009	22%	0.218	C	C	.	.	H	α-helix	trans	-69.2	-42.9	177.2	-173.6	-116.8	0	0	0	112.4	I277 T292 L293 R294 R298 L299 L300 V312 L314 I341 Q344	I277-F296 HydrophobicContact CD1-CD2 4.22Å; I277-F296 HydrophobicContact CD1-CE2 4.15Å; T292-F296 WeakPolarHBondContact O-CB 3.42Å; T292-F296 PolarHBondContact O-N 3.39Å; L293-F296 PolarHBondContact O-N 3.36Å; R294-F296 VanDerWaalsContact C-N 3.31Å; F296-R298 PolarHBondContact O-N 2.98Å; F296-L299 HydrophobicContact CD2-CD2 4.17Å; F296-L299 HydrophobicContact CE2-CD2 4.41Å; F296-L299 WeakPolarHBondContact O-CB 3.49Å; F296-L299 PolarHBondContact O-N 3.33Å; F296-L300 HydrophobicContact CD1-CD1 4.19Å; F296-L300 HydrophobicContact CE1-CD1 3.74Å; F296-L300 HydrophobicContact CE1-CG 4.35Å; F296-L300 HydrophobicContact CE2-CD2 4.38Å; F296-L300 HydrophobicContact CE2-CG 4.46Å; F296-L300 HydrophobicContact CZ-CD1 4Å; F296-L300 HydrophobicContact CZ-CD2 4.17Å; F296-L300 HydrophobicContact CZ-CG 4.23Å; F296-L300 WeakPolarHBondContact O-CG 3.32Å; F296-L300 PolarHBondContact O-N 2.94Å; F296-V312 HydrophobicContact CE2-CG1 3.78Å; F296-V312 HydrophobicContact CZ-CG1 4.38Å; F296-L314 HydrophobicContact CB-CD2 3.9Å; F296-L314 HydrophobicContact CD1-CB 3.78Å; F296-L314 HydrophobicContact CD1-CD2 3.8Å; F296-L314 HydrophobicContact CD1-CG 4.43Å; F296-L314 HydrophobicContact CD2-CB 3.92Å; F296-L314 HydrophobicContact CD2-CD2 4.44Å; F296-L314 HydrophobicContact CE1-CB 3.61Å; F296-L314 HydrophobicContact CE1-CD2 4.45Å; F296-L314 HydrophobicContact CE2-CB 3.77Å; F296-L314 HydrophobicContact CG-CB 3.93Å; F296-L314 HydrophobicContact CG-CD2 3.79Å; F296-L314 HydrophobicContact CG-CG 4.37Å; F296-L314 HydrophobicContact CZ-CB 3.62Å; F296-I341 HydrophobicContact CD1-CB 4.05Å; F296-I341 HydrophobicContact CD1-CD1 3.92Å; F296-I341 HydrophobicContact CD1-CG2 4.32Å; F296-I341 HydrophobicContact CE1-CB 4.26Å; F296-Q344 HydrophobicContact CE1-CB 4.04Å; F296-Q344 HydrophobicContact CZ-CB 4.15Å
297	Q	98.7	Very high	97.1	Very high	49 Å²	49	45.3 Å²	45.3	23%	0.229	24%	0.237	C	C	.	.	H	α-helix	trans	-54.4	-52	170.8	-177.4	-159.4	11.5	0	0	111	L293 R294 L299 L300 E301 L339 I341	L293-Q297 PolarHBondContact O-N 2.96Å; R294-Q297 PolarHBondContact O-N 2.91Å; Q297-L299 VanDerWaalsContact C-N 3.29Å; Q297-L299 PolarHBondContact O-N 3.21Å; Q297-L300 PolarHBondContact O-N 3.25Å; Q297-L300 VanDerWaalsContact O-N 3.11Å; Q297-E301 PolarHBondContact NE2-OE1 2.94Å; Q297-E301 WeakPolarHBondContact O-CG 3.48Å; Q297-E301 PolarHBondContact O-N 3.38Å; Q297-L339 HydrophobicContact CG-CB 4.47Å; Q297-I341 HydrophobicContact CB-CG2 3.98Å; Q297-I341 HydrophobicContact CG-CG2 4.29Å
298	R	98.6	Very high	97	Very high	74 Å²	74	44.7 Å²	44.7	28%	0.279	24%	0.235	S	C	.	.	H	α-helix	trans	-62.2	-36.9	180	-177.8	56.8	61.9	70.5	15	112.5	R294 S295 F296 E301 N302 E418 A421	R294-R298 WeakPolarHBondContact O-CB 3.49Å; R294-R298 PolarHBondContact O-N 3.33Å; S295-R298 PolarHBondContact O-N 2.84Å; F296-R298 PolarHBondContact O-N 2.98Å; R298-E301 IonicContact NE-OE2 3.66Å; R298-E301 PolarHBondContact NE-OE2 2.83Å; R298-E301 VanDerWaalsContact NE-OE2 3.11Å; R298-E301 PolarHBondContact O-N 3.02Å; R298-N302 WeakPolarHBondContact O-CB 3.46Å; R298-N302 PolarHBondContact O-N 3.32Å; R298-N302 PolarHBondContact O-OD1 3.38Å; R298-E418 IonicContact CZ-OE1 3.76Å; R298-E418 VanDerWaalsContact NH1-CG 3.31Å; R298-E418 IonicContact NH1-OE1 3.64Å; R298-E418 PolarHBondContact NH1-OE1 2.81Å; R298-E418 IonicContact NH2-OE1 2.93Å; R298-E418 PolarHBondContact NH2-OE1 2.8Å; R298-A421 HydrophobicContact CB-CB 3.9Å; R298-A421 HydrophobicContact CG-CB 3.62Å
299	L	98.6	Very high	97	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-58	-48.7	173.2	170.9	65.1	0	0	0	111.2	I277 S295 F296 Q297 E301 N302 I303 V312 A421 L424 R425 L428	I277-L299 HydrophobicContact CD1-CD2 3.37Å; S295-L299 WeakPolarHBondContact O-CB 3.25Å; S295-L299 PolarHBondContact O-N 3.07Å; F296-L299 HydrophobicContact CD2-CD2 4.17Å; F296-L299 HydrophobicContact CE2-CD2 4.41Å; F296-L299 WeakPolarHBondContact O-CB 3.49Å; F296-L299 PolarHBondContact O-N 3.33Å; Q297-L299 VanDerWaalsContact C-N 3.29Å; Q297-L299 PolarHBondContact O-N 3.21Å; L299-E301 VanDerWaalsContact C-N 3.35Å; L299-E301 PolarHBondContact O-N 3.38Å; L299-N302 PolarHBondContact O-N 2.89Å; L299-I303 HydrophobicContact CD1-CD1 4.02Å; L299-I303 HydrophobicContact CD1-CG1 4.37Å; L299-I303 HydrophobicContact CG-CD1 4.09Å; L299-I303 WeakPolarHBondContact O-CG1 3.46Å; L299-I303 PolarHBondContact O-N 3.33Å; L299-V312 HydrophobicContact CD2-CG1 4.21Å; L299-A421 HydrophobicContact CB-CB 4.18Å; L299-L424 HydrophobicContact CD1-CB 4.08Å; L299-L424 HydrophobicContact CD2-CB 3.87Å; L299-L424 HydrophobicContact CD2-CD1 4.15Å; L299-R425 HydrophobicContact CD1-CB 3.75Å; L299-L428 HydrophobicContact CD1-CD1 4.1Å; L299-L428 HydrophobicContact CD2-CD1 4.33Å
300	L	98.3	Very high	96.9	Very high	14 Å²	14	51.3 Å²	51.3	7%	0.073	26%	0.26	C	S	.	.	H	α-helix	trans	-63.1	-41.7	180	-65.2	178	0	0	0	111.6	F296 Q297 N302 I303 R309 V312 I341	F296-L300 HydrophobicContact CD1-CD1 4.19Å; F296-L300 HydrophobicContact CE1-CD1 3.74Å; F296-L300 HydrophobicContact CE1-CG 4.35Å; F296-L300 HydrophobicContact CE2-CD2 4.38Å; F296-L300 HydrophobicContact CE2-CG 4.46Å; F296-L300 HydrophobicContact CZ-CD1 4Å; F296-L300 HydrophobicContact CZ-CD2 4.17Å; F296-L300 HydrophobicContact CZ-CG 4.23Å; F296-L300 WeakPolarHBondContact O-CG 3.32Å; F296-L300 PolarHBondContact O-N 2.94Å; Q297-L300 PolarHBondContact O-N 3.25Å; Q297-L300 VanDerWaalsContact O-N 3.11Å; L300-N302 VanDerWaalsContact C-N 3.3Å; L300-N302 PolarHBondContact O-N 3.48Å; L300-I303 PolarHBondContact O-N 3.48Å; L300-R309 HydrophobicContact CB-CG 4.48Å; L300-R309 HydrophobicContact CD2-CG 4.08Å; L300-R309 PolarHBondContact O-NE 3.11Å; L300-R309 PolarHBondContact O-NH2 3.33Å; L300-V312 HydrophobicContact CD2-CB 4.12Å; L300-I341 HydrophobicContact CD1-CB 4.46Å; L300-I341 HydrophobicContact CD1-CG2 3.86Å
301	E	97.4	Very high	96.8	Very high	98 Å²	98	54.1 Å²	54.1	46%	0.458	27%	0.267	S	S	.	.	H	α-helix	trans	-57.6	-41.9	173.8	-69.9	169.2	173.6	0	0	111.8	Q297 R298 L299 I303 R309	Q297-E301 PolarHBondContact NE2-OE1 2.94Å; Q297-E301 WeakPolarHBondContact O-CG 3.48Å; Q297-E301 PolarHBondContact O-N 3.38Å; R298-E301 IonicContact NE-OE2 3.66Å; R298-E301 PolarHBondContact NE-OE2 2.83Å; R298-E301 VanDerWaalsContact NE-OE2 3.11Å; R298-E301 PolarHBondContact O-N 3.02Å; L299-E301 VanDerWaalsContact C-N 3.35Å; L299-E301 PolarHBondContact O-N 3.38Å; E301-I303 VanDerWaalsContact C-N 3.3Å; E301-I303 PolarHBondContact O-N 3.34Å; E301-R309 PolarHBondContact O-NH2 2.82Å
302	N	96	Very high	96.7	Very high	56 Å²	56	53.3 Å²	53.3	30%	0.299	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-7.1	-177.8	-72.4	-0.2	0	0	0	114.8	R298 L299 L300 R425	R298-N302 WeakPolarHBondContact O-CB 3.46Å; R298-N302 PolarHBondContact O-N 3.32Å; R298-N302 PolarHBondContact O-OD1 3.38Å; L299-N302 PolarHBondContact O-N 2.89Å; L300-N302 VanDerWaalsContact C-N 3.3Å; L300-N302 PolarHBondContact O-N 3.48Å; N302-R425 PolarHBondContact O-NE 2.64Å
303	I	96.6	Very high	96.7	Very high	5 Å²	5	57 Å²	57	3%	0.026	28%	0.276	C	S	.	.			trans	-94.1	103.1	176.3	-64.7	163.8	0	0	0	109.2	L299 L300 E301 D305 L308 R309 V312 L428	L299-I303 HydrophobicContact CD1-CD1 4.02Å; L299-I303 HydrophobicContact CD1-CG1 4.37Å; L299-I303 HydrophobicContact CG-CD1 4.09Å; L299-I303 WeakPolarHBondContact O-CG1 3.46Å; L299-I303 PolarHBondContact O-N 3.33Å; L300-I303 PolarHBondContact O-N 3.48Å; E301-I303 VanDerWaalsContact C-N 3.3Å; E301-I303 PolarHBondContact O-N 3.34Å; I303-D305 WeakPolarHBondContact CG2-O 3.41Å; I303-L308 HydrophobicContact CG2-CB 3.94Å; I303-L308 HydrophobicContact CG2-CD2 3.93Å; I303-L308 HydrophobicContact CG2-CG 3.93Å; I303-R309 HydrophobicContact CB-CB 4.27Å; I303-R309 HydrophobicContact CG2-CB 3.85Å; I303-R309 PolarHBondContact O-NE 2.81Å; I303-R309 VanDerWaalsContact O-NE 3.09Å; I303-R309 PolarHBondContact O-NH2 3.18Å; I303-V312 HydrophobicContact CD1-CG2 3.8Å; I303-L428 HydrophobicContact CD1-CD1 3.84Å
304	S	93.8	Very high	96.7	Very high	117 Å²	117	57 Å²	57	82%	0.818	28%	0.277	S	S	*	.			trans	-71.2	-30.1	178.8	-46.7	0	0	0	0	113.9	S306	S304-S306 PolarHBondContact O-N 3.49Å
305	D	94.2	Very high	96.6	Very high	84 Å²	84	51.6 Å²	51.6	45%	0.449	26%	0.257	S	S	.	.			trans	-75.4	111.8	178.3	176.6	-7	0	0	0	110.1	I303 N307 L308 R309	I303-D305 WeakPolarHBondContact CG2-O 3.41Å; D305-N307 VanDerWaalsContact C-N 3.32Å; D305-N307 PolarHBondContact O-N 2.9Å; D305-N307 WeakPolarHBondContact OD1-CB 3.23Å; D305-N307 PolarHBondContact OD1-N 3.47Å; D305-L308 HydrophobicContact CB-CB 3.91Å; D305-L308 PolarHBondContact O-N 3.5Å; D305-L308 PolarHBondContact OD1-N 3.49Å; D305-R309 WeakPolarHBondContact O-CB 3.47Å; D305-R309 PolarHBondContact O-N 3.03Å
306	S	94	Very high	96.6	Very high	65 Å²	65	51.6 Å²	51.6	46%	0.455	26%	0.257	S	S	.	.	H	α-helix	trans	-60.7	-38.2	-179.9	52.8	0	0	0	0	112.8	S304 R309 H310	S304-S306 PolarHBondContact O-N 3.49Å; S306-R309 PolarHBondContact O-N 2.64Å; S306-H310 PolarHBondContact O-CD2 2.95Å; S306-H310 PolarHBondContact O-N 2.93Å
307	N	93.4	Very high	96.6	Very high	117 Å²	117	51.8 Å²	51.8	63%	0.626	26%	0.258	S	S	*	.	H	α-helix	trans	-65.5	-44	179	-70.2	-35.4	0	0	0	110.6	D305 R311	D305-N307 VanDerWaalsContact C-N 3.32Å; D305-N307 PolarHBondContact O-N 2.9Å; D305-N307 WeakPolarHBondContact OD1-CB 3.23Å; D305-N307 PolarHBondContact OD1-N 3.47Å; N307-R311 WeakPolarHBondContact O-CD 3.45Å; N307-R311 VanDerWaalsContact O-CG 3.28Å; N307-R311 WeakPolarHBondContact O-CG 3.36Å; N307-R311 PolarHBondContact O-N 3.37Å
308	L	93.3	Very high	96.3	Very high	23 Å²	23	50 Å²	50	12%	0.12	25%	0.252	C	S	.	.	H	α-helix	trans	-62.8	-47.5	174.8	-177.9	61.1	0	0	0	110.9	L275 I303 D305 H310 R311 V312 L429	L275-L308 HydrophobicContact CD1-CD1 3.35Å; I303-L308 HydrophobicContact CG2-CB 3.94Å; I303-L308 HydrophobicContact CG2-CD2 3.93Å; I303-L308 HydrophobicContact CG2-CG 3.93Å; D305-L308 HydrophobicContact CB-CB 3.91Å; D305-L308 PolarHBondContact O-N 3.5Å; D305-L308 PolarHBondContact OD1-N 3.49Å; L308-H310 VanDerWaalsContact C-N 3.3Å; L308-H310 PolarHBondContact O-N 2.92Å; L308-R311 WeakPolarHBondContact O-CB 3.41Å; L308-R311 PolarHBondContact O-N 2.92Å; L308-V312 WeakPolarHBondContact O-CG2 3.47Å; L308-V312 PolarHBondContact O-N 2.72Å; L308-L429 HydrophobicContact CD2-CD2 4Å
309	R	96.2	Very high	95.9	Very high	83 Å²	83	47.9 Å²	47.9	31%	0.313	25%	0.249	S	C	.	.	H	α-helix	trans	-55.7	-43.7	179.6	-175.8	-173.9	-74.3	164.5	-8	111.8	L300 E301 I303 D305 S306 R311 V312 Q344	L300-R309 HydrophobicContact CB-CG 4.48Å; L300-R309 HydrophobicContact CD2-CG 4.08Å; L300-R309 PolarHBondContact O-NE 3.11Å; L300-R309 PolarHBondContact O-NH2 3.33Å; E301-R309 PolarHBondContact O-NH2 2.82Å; I303-R309 HydrophobicContact CB-CB 4.27Å; I303-R309 HydrophobicContact CG2-CB 3.85Å; I303-R309 PolarHBondContact O-NE 2.81Å; I303-R309 VanDerWaalsContact O-NE 3.09Å; I303-R309 PolarHBondContact O-NH2 3.18Å; D305-R309 WeakPolarHBondContact O-CB 3.47Å; D305-R309 PolarHBondContact O-N 3.03Å; S306-R309 PolarHBondContact O-N 2.64Å; R309-R311 PolarHBondContact O-N 3.18Å; R309-V312 PolarHBondContact O-N 2.98Å; R309-Q344 PolarHBondContact O-NE2 2.82Å
310	H	95.3	Very high	95.5	Very high	120 Å²	120	48.9 Å²	48.9	56%	0.556	26%	0.255	S	S	*	.	H	α-helix	trans	-69.2	-16.8	179.3	-73.8	-55.4	0	0	0	114.4	S306 L308 R313	S306-H310 PolarHBondContact O-CD2 2.95Å; S306-H310 PolarHBondContact O-N 2.93Å; L308-H310 VanDerWaalsContact C-N 3.3Å; L308-H310 PolarHBondContact O-N 2.92Å; H310-R313 PolarHBondContact O-NH1 3.16Å; H310-R313 PolarHBondContact O-NH2 2.93Å; H310-R313 VanDerWaalsContact O-NH2 3.16Å
311	R	95.4	Very high	94.7	Very high	91 Å²	91	53.8 Å²	53.8	34%	0.343	27%	0.273	S	S	.	.	H	α-helix	trans	-88	-19	177.8	-69.3	167.9	53.8	-162.1	-5.9	113.2	D272 Q273 L275 N307 L308 R309	D272-R311 PolarHBondContact O-NE 2.91Å; D272-R311 PolarHBondContact O-NH2 3.28Å; Q273-R311 VanDerWaalsContact O-CB 3.24Å; Q273-R311 WeakPolarHBondContact O-CB 3.31Å; Q273-R311 WeakPolarHBondContact O-CD 3.27Å; Q273-R311 WeakPolarHBondContact O-CG 3.35Å; Q273-R311 PolarHBondContact O-NE 3.08Å; L275-R311 HydrophobicContact CG-CB 4.47Å; L275-R311 PolarHBondContact N-O 3.34Å; N307-R311 WeakPolarHBondContact O-CD 3.45Å; N307-R311 VanDerWaalsContact O-CG 3.28Å; N307-R311 WeakPolarHBondContact O-CG 3.36Å; N307-R311 PolarHBondContact O-N 3.37Å; L308-R311 WeakPolarHBondContact O-CB 3.41Å; L308-R311 PolarHBondContact O-N 2.92Å; R309-R311 PolarHBondContact O-N 3.18Å
312	V	97.4	Very high	94.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	133.1	-178.3	-166.2	0	0	0	0	110.5	L275 I277 F296 L299 L300 I303 L308 R309 Q344 L428	L275-V312 HydrophobicContact CB-CG2 4.46Å; L275-V312 WeakPolarHBondContact O-CA 3.41Å; I277-V312 HydrophobicContact CD1-CG1 3.84Å; I277-V312 HydrophobicContact CG1-CG1 4.47Å; F296-V312 HydrophobicContact CE2-CG1 3.78Å; F296-V312 HydrophobicContact CZ-CG1 4.38Å; L299-V312 HydrophobicContact CD2-CG1 4.21Å; L300-V312 HydrophobicContact CD2-CB 4.12Å; I303-V312 HydrophobicContact CD1-CG2 3.8Å; L308-V312 WeakPolarHBondContact O-CG2 3.47Å; L308-V312 PolarHBondContact O-N 2.72Å; R309-V312 PolarHBondContact O-N 2.98Å; V312-Q344 PolarHBondContact O-NE2 2.99Å; V312-L428 HydrophobicContact CG1-CD1 4.3Å; V312-L428 HydrophobicContact CG2-CD1 3.71Å
313	R	97.8	Very high	93.9	Very high	77 Å²	77	57 Å²	57	29%	0.291	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	143.5	176.2	-66.2	-68.8	178.6	-83.3	-4.2	110.5	L274 L275 I277 H310	L274-R313 HydrophobicContact CD2-CG 4.25Å; L275-R313 PolarHBondContact O-N 3.11Å; I277-R313 PolarHBondContact N-O 3.39Å; H310-R313 PolarHBondContact O-NH1 3.16Å; H310-R313 PolarHBondContact O-NH2 2.93Å; H310-R313 VanDerWaalsContact O-NH2 3.16Å
314	L	98.7	Very high	93.6	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127.1	168.4	177.3	63	0	0	0	108.7	I277 T292 L293 F296 M316 Q344 T345 E346 I367	I277-L314 HydrophobicContact CB-CD1 4.4Å; I277-L314 HydrophobicContact CG2-CD1 4.17Å; I277-L314 CarbonylContact O-C 3.5Å; I277-L314 WeakPolarHBondContact O-CA 3.09Å; T292-L314 HydrophobicContact CG2-CD1 4.29Å; T292-L314 HydrophobicContact CG2-CD2 4.22Å; L293-L314 HydrophobicContact CD2-CD2 4.01Å; F296-L314 HydrophobicContact CB-CD2 3.9Å; F296-L314 HydrophobicContact CD1-CB 3.78Å; F296-L314 HydrophobicContact CD1-CD2 3.8Å; F296-L314 HydrophobicContact CD1-CG 4.43Å; F296-L314 HydrophobicContact CD2-CB 3.92Å; F296-L314 HydrophobicContact CD2-CD2 4.44Å; F296-L314 HydrophobicContact CE1-CB 3.61Å; F296-L314 HydrophobicContact CE1-CD2 4.45Å; F296-L314 HydrophobicContact CE2-CB 3.77Å; F296-L314 HydrophobicContact CG-CB 3.93Å; F296-L314 HydrophobicContact CG-CD2 3.79Å; F296-L314 HydrophobicContact CG-CG 4.37Å; F296-L314 HydrophobicContact CZ-CB 3.62Å; L314-M316 HydrophobicContact CD1-SD 3.86Å; L314-M316 HydrophobicContact CD2-CG 4.26Å; L314-M316 HydrophobicContact CD2-SD 3.73Å; L314-M316 HydrophobicContact CG-CG 4.14Å; L314-M316 HydrophobicContact CG-SD 3.75Å; L314-Q344 PolarHBondContact N-O 2.91Å; L314-T345 HydrophobicContact CB-CG2 4.43Å; L314-T345 HydrophobicContact CD2-CG2 4.04Å; L314-T345 HydrophobicContact CG-CG2 4.26Å; L314-T345 CarbonylContact O-C 3.56Å; L314-T345 VanDerWaalsContact O-CA 3.3Å; L314-T345 WeakPolarHBondContact O-CA 3.4Å; L314-E346 PolarHBondContact O-N 3.39Å; L314-I367 HydrophobicContact CD1-CG2 4.27Å
315	V	98.5	Very high	93.5	Very high	7 Å²	7	55.9 Å²	55.9	4%	0.042	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	113.1	175.2	-175.5	0	0	0	0	108.7	T276 I277 V278 S279 I317 E346 K348	T276-V315 HydrophobicContact CG2-CB 4.34Å; T276-V315 HydrophobicContact CG2-CG2 3.57Å; I277-V315 PolarHBondContact O-N 3Å; V278-V315 WeakPolarHBondContact CA-O 3.41Å; V278-V315 HydrophobicContact CG1-CB 4.2Å; S279-V315 PolarHBondContact N-O 3.12Å; V315-I317 HydrophobicContact CG1-CD1 4.21Å; V315-I317 HydrophobicContact CG1-CG1 3.82Å; V315-E346 WeakPolarHBondContact CA-O 3.37Å; V315-E346 HydrophobicContact CG1-CB 4.39Å; V315-E346 HydrophobicContact CG2-CB 4.19Å; V315-K348 HydrophobicContact CG1-CD 3.81Å; V315-K348 HydrophobicContact CG1-CG 4.04Å
316	M	98.6	Very high	93.6	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	106.4	-179.5	-59.4	-61.4	-71.1	0	0	109	Y289 T292 L314 T345 E346 W347 K348	Y289-M316 HydrophobicContact CD1-CE 3.44Å; Y289-M316 VanDerWaalsContact CD1-CE 3.44Å; Y289-M316 HydrophobicContact CE1-CE 4.01Å; Y289-M316 HydrophobicContact CG-CE 4.24Å; T292-M316 HydrophobicContact CG2-CE 3.94Å; T292-M316 HydrophobicContact CG2-SD 3.8Å; L314-M316 HydrophobicContact CD1-SD 3.86Å; L314-M316 HydrophobicContact CD2-CG 4.26Å; L314-M316 HydrophobicContact CD2-SD 3.73Å; L314-M316 HydrophobicContact CG-CG 4.14Å; L314-M316 HydrophobicContact CG-SD 3.75Å; M316-T345 HydrophobicContact CG-CG2 3.88Å; M316-E346 PolarHBondContact N-O 3.01Å; M316-W347 HydrophobicContact CB-CD2 4.04Å; M316-W347 HydrophobicContact CB-CE3 3.47Å; M316-W347 VanDerWaalsContact CB-CE3 3.47Å; M316-W347 HydrophobicContact CB-CH2 4.36Å; M316-W347 HydrophobicContact CB-CZ3 3.67Å; M316-W347 HydrophobicContact CE-CH2 4.37Å; M316-W347 HydrophobicContact CE-CZ3 4.2Å; M316-W347 HydrophobicContact CG-CD2 4.3Å; M316-W347 HydrophobicContact CG-CE3 3.95Å; M316-W347 HydrophobicContact CG-CH2 3.97Å; M316-W347 HydrophobicContact CG-CZ2 4.33Å; M316-W347 HydrophobicContact CG-CZ3 3.78Å; M316-K348 PolarHBondContact O-N 3.34Å
317	I	97.9	Very high	93.7	Very high	6 Å²	6	56.7 Å²	56.7	3%	0.031	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124.7	-177.3	-44.1	178.3	0	0	0	109.7	V278 S279 V280 G281 V315 K348 V351 L356 S359	V278-I317 HydrophobicContact CG1-CD1 4.4Å; S279-I317 PolarHBondContact O-N 3.13Å; V280-I317 WeakPolarHBondContact CA-O 3.47Å; V280-I317 HydrophobicContact CG2-CB 4.29Å; V280-I317 HydrophobicContact CG2-CD1 4.35Å; G281-I317 PolarHBondContact N-O 2.76Å; V315-I317 HydrophobicContact CG1-CD1 4.21Å; V315-I317 HydrophobicContact CG1-CG1 3.82Å; I317-K348 VanDerWaalsContact CA-O 3.31Å; I317-K348 WeakPolarHBondContact CA-O 3.5Å; I317-K348 HydrophobicContact CB-CB 4.37Å; I317-K348 HydrophobicContact CG1-CB 4.09Å; I317-K348 HydrophobicContact CG1-CD 4.38Å; I317-K348 HydrophobicContact CG2-CB 4.16Å; I317-V351 HydrophobicContact CG2-CG2 3.68Å; I317-L356 HydrophobicContact CD1-CD1 4.13Å; I317-L356 HydrophobicContact CG2-CD1 3.94Å; I317-S359 VanDerWaalsContact CD1-CB 3.46Å
318	G	93.2	Very high	93.9	Very high	10 Å²	10	52.8 Å²	52.8	10%	0.103	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	177.8	-177.7	0	0	0	0	0	114.9	G281 K348 V349 D350	G281-G318 WeakPolarHBondContact O-CA 3.46Å; G318-K348 PolarHBondContact N-O 3.03Å; G318-V349 CarbonylContact O-C 3.51Å; G318-V349 WeakPolarHBondContact O-CA 3.36Å; G318-D350 PolarHBondContact O-N 2.95Å
319	S	89.7	Confident	94.1	Very high	31 Å²	31	51.7 Å²	51.7	22%	0.217	26%	0.258	C	S	.	.			trans	-121.8	148.7	176.3	45.2	0	0	0	0	111.3	F283 D350	F283-S319 PolarHBondContact N-O 3.44Å; S319-D350 WeakPolarHBondContact CA-OD1 3.33Å; S319-D350 WeakPolarHBondContact CB-OD1 3.26Å
320	C	90.7	Very high	94.2	Very high	20 Å²	20	52 Å²	52	14%	0.135	26%	0.263	C	S	.	.			trans	-114.3	116.7	172.5	-70.4	0	0	0	0	109.4	D325 V349 D350	C320-D325 HydrophobicContact CB-CB 3.92Å; C320-V349 HydrophobicContact CB-CG1 4.49Å; C320-D350 PolarHBondContact N-OD1 3.06Å
321	R	81.5	Confident	94.3	Very high	118 Å²	118	49.2 Å²	49.2	45%	0.445	26%	0.257	S	S	.	.			trans	-93.5	-1.1	-178	-66.6	-177.3	174.5	-160.6	-7	113.9	A49 Q282 D325	A49-R321 PolarHBondContact O-NH2 2.92Å; Q282-R321 VanDerWaalsContact NE2-CZ 3.34Å; R321-D325 PolarHBondContact N-OD2 3.2Å
322	G	85.8	Confident	94.5	Very high	36 Å²	36	45 Å²	45	37%	0.371	24%	0.242	S	C	.	.	S	Bend	trans	175.4	-172.5	-179.6	0	0	0	0	0	113.2	S324 D325 Q326	G322-S324 VanDerWaalsContact C-N 3.29Å; G322-S324 PolarHBondContact O-N 3.2Å; G322-D325 PolarHBondContact O-N 3.44Å; G322-Q326 PolarHBondContact O-N 3.28Å; G322-Q326 VanDerWaalsContact O-N 3.15Å
323	K	90.7	Very high	94.5	Very high	184 Å²	184	48.1 Å²	48.1	80%	0.8	26%	0.255	S	S	*	.	H	α-helix	trans	-62.1	-32.9	-173.9	-169.7	174.6	-178.8	177.5	0	113.7	T327	K323-T327 WeakPolarHBondContact O-CB 3.25Å; K323-T327 PolarHBondContact O-N 3.19Å; K323-T327 PolarHBondContact O-OG1 2.91Å
324	S	90.1	Very high	94.6	Very high	85 Å²	85	47.5 Å²	47.5	59%	0.594	27%	0.266	S	S	*	.	H	α-helix	trans	-61.7	-47.2	176.1	51.1	0	0	0	0	111.9	G322 T327 L328	G322-S324 VanDerWaalsContact C-N 3.29Å; G322-S324 PolarHBondContact O-N 3.2Å; S324-T327 PolarHBondContact O-N 3.34Å; S324-L328 PolarHBondContact O-N 2.88Å
325	D	92.3	Very high	94.6	Very high	14 Å²	14	49.6 Å²	49.6	8%	0.075	28%	0.276	C	S	.	.	H	α-helix	trans	-68.3	-40.2	-176.9	-57.8	6.4	0	0	0	109.6	F283 C320 R321 G322 T327 L328 L329	F283-D325 WeakPolarHBondContact O-CB 3.34Å; C320-D325 HydrophobicContact CB-CB 3.92Å; R321-D325 PolarHBondContact N-OD2 3.2Å; G322-D325 PolarHBondContact O-N 3.44Å; D325-T327 PolarHBondContact O-N 3Å; D325-L328 PolarHBondContact O-N 3.22Å; D325-L329 PolarHBondContact O-N 3.03Å
326	Q	95.1	Very high	94.6	Very high	77 Å²	77	49.2 Å²	49.2	36%	0.36	27%	0.274	S	S	.	.	H	α-helix	trans	-62.1	-42.6	173.9	-169.7	65.7	36.6	0	0	112.1	G322 L328 L329 E330	G322-Q326 PolarHBondContact O-N 3.28Å; G322-Q326 VanDerWaalsContact O-N 3.15Å; Q326-L328 VanDerWaalsContact C-N 3.3Å; Q326-L328 PolarHBondContact O-N 3.37Å; Q326-L329 WeakPolarHBondContact O-CB 3.18Å; Q326-L329 PolarHBondContact O-N 2.99Å; Q326-E330 PolarHBondContact NE2-OE1 3Å; Q326-E330 WeakPolarHBondContact O-CG 3.43Å; Q326-E330 PolarHBondContact O-N 3.5Å
327	T	96.9	Very high	94.6	Very high	90 Å²	90	52.1 Å²	52.1	55%	0.552	30%	0.295	S	S	*	.	H	α-helix	trans	-63.9	-39.2	178.6	-55.8	0	0	0	0	111	K323 S324 D325 S331	K323-T327 WeakPolarHBondContact O-CB 3.25Å; K323-T327 PolarHBondContact O-N 3.19Å; K323-T327 PolarHBondContact O-OG1 2.91Å; S324-T327 PolarHBondContact O-N 3.34Å; D325-T327 PolarHBondContact O-N 3Å; T327-S331 PolarHBondContact O-N 3.02Å; T327-S331 VanDerWaalsContact O-N 3.15Å
328	L	96.5	Very high	94.6	Very high	34 Å²	34	59.7 Å²	59.7	18%	0.178	33%	0.33	C	S	.	.	H	α-helix	trans	-65.5	-43	173.5	177.1	60.5	0	0	0	111.6	R284 P285 S324 D325 Q326 E330 S331 L332	R284-L328 VanDerWaalsContact CA-CD2 3.45Å; P285-L328 HydrophobicContact CG-CD2 4.17Å; S324-L328 PolarHBondContact O-N 2.88Å; D325-L328 PolarHBondContact O-N 3.22Å; Q326-L328 VanDerWaalsContact C-N 3.3Å; Q326-L328 PolarHBondContact O-N 3.37Å; L328-E330 VanDerWaalsContact C-N 3.33Å; L328-E330 PolarHBondContact O-N 3.2Å; L328-S331 PolarHBondContact O-N 3.31Å; L328-S331 PolarHBondContact O-OG 3.04Å; L328-L332 HydrophobicContact CD1-CD1 4.19Å; L328-L332 HydrophobicContact CD1-CG 4.09Å; L328-L332 HydrophobicContact CG-CD1 3.98Å; L328-L332 HydrophobicContact CG-CG 4.35Å; L328-L332 VanDerWaalsContact O-CG 3.23Å; L328-L332 WeakPolarHBondContact O-CG 3.38Å; L328-L332 PolarHBondContact O-N 2.77Å
329	L	97.9	Very high	94.8	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-57.7	-45.2	176.4	175.2	62.4	0	0	0	112	F283 D325 Q326 S331 L332 K333 W347 V349	F283-L329 HydrophobicContact CD1-CD1 4.14Å; F283-L329 HydrophobicContact CD2-CD1 4.27Å; F283-L329 HydrophobicContact CE1-CD1 3.95Å; F283-L329 HydrophobicContact CE2-CD1 4.06Å; F283-L329 HydrophobicContact CG-CB 4.49Å; F283-L329 HydrophobicContact CG-CD1 4.31Å; F283-L329 HydrophobicContact CZ-CD1 3.9Å; D325-L329 PolarHBondContact O-N 3.03Å; Q326-L329 WeakPolarHBondContact O-CB 3.18Å; Q326-L329 PolarHBondContact O-N 2.99Å; L329-S331 PolarHBondContact O-N 3.07Å; L329-L332 PolarHBondContact O-N 2.95Å; L329-K333 WeakPolarHBondContact O-CG 3.34Å; L329-K333 PolarHBondContact O-N 2.78Å; L329-W347 HydrophobicContact CD1-CD2 4.19Å; L329-W347 HydrophobicContact CD1-CE3 3.42Å; L329-W347 VanDerWaalsContact CD1-CE3 3.42Å; L329-W347 HydrophobicContact CD1-CZ3 3.77Å; L329-V349 HydrophobicContact CD2-CG1 4.28Å; L329-V349 HydrophobicContact CD2-CG2 3.63Å
330	E	98.1	Very high	95.2	Very high	88 Å²	88	61.9 Å²	61.9	41%	0.411	35%	0.349	S	S	.	.	H	α-helix	trans	-66	-37	178.3	-61.2	-49.3	155.9	0	0	112.6	Q326 L328 L332 K333 A334	Q326-E330 PolarHBondContact NE2-OE1 3Å; Q326-E330 WeakPolarHBondContact O-CG 3.43Å; Q326-E330 PolarHBondContact O-N 3.5Å; L328-E330 VanDerWaalsContact C-N 3.33Å; L328-E330 PolarHBondContact O-N 3.2Å; E330-L332 VanDerWaalsContact C-N 3.32Å; E330-L332 PolarHBondContact O-N 2.86Å; E330-K333 PolarHBondContact O-N 3.45Å; E330-K333 IonicContact OE1-NZ 3.47Å; E330-K333 WeakPolarHBondContact OE2-CD 3.4Å; E330-K333 IonicContact OE2-NZ 2.96Å; E330-A334 WeakPolarHBondContact O-CB 3.31Å; E330-A334 PolarHBondContact O-N 2.95Å
331	S	98.2	Very high	95.6	Very high	63 Å²	63	61.1 Å²	61.1	44%	0.441	34%	0.344	S	S	.	.	H	α-helix	trans	-67.8	-33.5	175.5	75.1	0	0	0	0	112.4	T327 L328 L329 M335	T327-S331 PolarHBondContact O-N 3.02Å; T327-S331 VanDerWaalsContact O-N 3.15Å; L328-S331 PolarHBondContact O-N 3.31Å; L328-S331 PolarHBondContact O-OG 3.04Å; L329-S331 PolarHBondContact O-N 3.07Å; S331-M335 WeakPolarHBondContact O-CB 3.21Å; S331-M335 PolarHBondContact O-N 2.93Å
332	L	98.6	Very high	96.4	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.01	34%	0.342	C	S	.	.	H	α-helix	trans	-69.4	-39.7	174.4	-68.5	171	0	0	0	112.3	F283 Y289 P290 L293 L328 L329 E330 M335 A336 W347	F283-L332 HydrophobicContact CD1-CD1 4.15Å; Y289-L332 HydrophobicContact CD2-CD1 3.8Å; Y289-L332 HydrophobicContact CG-CD1 3.92Å; P290-L332 HydrophobicContact CG-CD2 4.04Å; L293-L332 HydrophobicContact CD1-CB 4.37Å; L293-L332 HydrophobicContact CD1-CD2 4.15Å; L293-L332 WeakPolarHBondContact CD1-O 3.42Å; L328-L332 HydrophobicContact CD1-CD1 4.19Å; L328-L332 HydrophobicContact CD1-CG 4.09Å; L328-L332 HydrophobicContact CG-CD1 3.98Å; L328-L332 HydrophobicContact CG-CG 4.35Å; L328-L332 VanDerWaalsContact O-CG 3.23Å; L328-L332 WeakPolarHBondContact O-CG 3.38Å; L328-L332 PolarHBondContact O-N 2.77Å; L329-L332 PolarHBondContact O-N 2.95Å; E330-L332 VanDerWaalsContact C-N 3.32Å; E330-L332 PolarHBondContact O-N 2.86Å; L332-M335 PolarHBondContact O-N 3.46Å; L332-A336 PolarHBondContact O-N 2.98Å; L332-W347 HydrophobicContact CB-CH2 3.7Å; L332-W347 HydrophobicContact CB-CZ3 4.2Å
333	K	98.6	Very high	97	Very high	66 Å²	66	62.1 Å²	62.1	29%	0.287	36%	0.357	S	S	.	.	H	α-helix	trans	-62.1	-46.3	172.5	-73.6	175.4	-179.6	173.5	0	111.5	L329 E330 M335 A336 S337 W347	L329-K333 WeakPolarHBondContact O-CG 3.34Å; L329-K333 PolarHBondContact O-N 2.78Å; E330-K333 PolarHBondContact O-N 3.45Å; E330-K333 IonicContact OE1-NZ 3.47Å; E330-K333 WeakPolarHBondContact OE2-CD 3.4Å; E330-K333 IonicContact OE2-NZ 2.96Å; K333-M335 VanDerWaalsContact C-N 3.29Å; K333-M335 PolarHBondContact O-N 2.95Å; K333-A336 WeakPolarHBondContact O-CB 3.36Å; K333-A336 PolarHBondContact O-N 3.28Å; K333-A336 VanDerWaalsContact O-N 3.13Å; K333-S337 PolarHBondContact O-N 3.35Å; K333-W347 HydrophobicContact CG-CD2 3.99Å; K333-W347 HydrophobicContact CG-CG 4.25Å; K333-W347 HydrophobicContact CG-CZ2 4.1Å
334	A	98.6	Very high	97.3	Very high	63 Å²	63	54.5 Å²	54.5	52%	0.521	32%	0.324	S	S	.	.	H	α-helix	trans	-59.8	-40.5	175.5	0	0	0	0	0	111.9	E330 S337 Q338	E330-A334 WeakPolarHBondContact O-CB 3.31Å; E330-A334 PolarHBondContact O-N 2.95Å; A334-S337 PolarHBondContact O-N 2.93Å; A334-Q338 PolarHBondContact O-N 3Å
335	M	98.6	Very high	97.7	Very high	45 Å²	45	51.1 Å²	51.1	22%	0.222	30%	0.3	C	S	.	.	H	α-helix	trans	-62.5	-43.5	173.6	-178.4	176.3	-71.1	0	0	111.7	P290 L293 S331 L332 K333 S337 Q338 L339	P290-M335 HydrophobicContact CB-CE 4.2Å; P290-M335 HydrophobicContact CB-SD 3.85Å; P290-M335 HydrophobicContact CG-CE 4.39Å; P290-M335 HydrophobicContact CG-SD 4.32Å; L293-M335 HydrophobicContact CD1-CB 4.16Å; L293-M335 HydrophobicContact CD1-CG 4.09Å; L293-M335 HydrophobicContact CD1-SD 4.12Å; S331-M335 WeakPolarHBondContact O-CB 3.21Å; S331-M335 PolarHBondContact O-N 2.93Å; L332-M335 PolarHBondContact O-N 3.46Å; K333-M335 VanDerWaalsContact C-N 3.29Å; K333-M335 PolarHBondContact O-N 2.95Å; M335-S337 VanDerWaalsContact C-N 3.3Å; M335-S337 PolarHBondContact O-N 3.18Å; M335-Q338 PolarHBondContact O-N 3.38Å; M335-L339 HydrophobicContact CG-CD1 3.88Å; M335-L339 HydrophobicContact CG-CG 4.22Å; M335-L339 WeakPolarHBondContact O-CB 3.28Å; M335-L339 VanDerWaalsContact O-CG 3.25Å; M335-L339 WeakPolarHBondContact O-CG 3.31Å; M335-L339 PolarHBondContact O-N 2.86Å
336	A	98.7	Very high	98	Very high	0 Å²	0	55 Å²	55	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-59.6	-40.3	177.1	0	0	0	0	0	112.2	L293 L332 K333 L339 G340 I341 D342 W347	L293-A336 HydrophobicContact CD1-CB 4.38Å; L293-A336 HydrophobicContact CD2-CB 4.39Å; L332-A336 PolarHBondContact O-N 2.98Å; K333-A336 WeakPolarHBondContact O-CB 3.36Å; K333-A336 PolarHBondContact O-N 3.28Å; K333-A336 VanDerWaalsContact O-N 3.13Å; A336-L339 PolarHBondContact O-N 3.39Å; A336-G340 PolarHBondContact O-N 2.85Å; A336-I341 HydrophobicContact CB-CD1 4.44Å; A336-I341 HydrophobicContact CB-CG1 4.06Å; A336-I341 WeakPolarHBondContact O-CG1 3.39Å; A336-I341 PolarHBondContact O-N 2.93Å; A336-D342 HydrophobicContact CB-CB 4.42Å; A336-D342 PolarHBondContact O-N 3.45Å; A336-W347 HydrophobicContact CB-CZ2 4.2Å
337	S	98.5	Very high	98.2	Very high	61 Å²	61	53.8 Å²	53.8	43%	0.427	31%	0.31	S	S	.	.	H	α-helix	trans	-67.1	-41.4	173.6	-63.4	0	0	0	0	112.3	K333 A334 M335 L339 G340 D342	K333-S337 PolarHBondContact O-N 3.35Å; A334-S337 PolarHBondContact O-N 2.93Å; M335-S337 VanDerWaalsContact C-N 3.3Å; M335-S337 PolarHBondContact O-N 3.18Å; S337-L339 VanDerWaalsContact C-N 3.27Å; S337-L339 PolarHBondContact O-N 2.94Å; S337-G340 PolarHBondContact O-N 3.07Å; S337-D342 PolarHBondContact OG-OD2 3.36Å
338	Q	98.4	Very high	98.2	Very high	165 Å²	165	51 Å²	51	77%	0.771	29%	0.29	S	S	*	.	H	α-helix	trans	-61.2	-36.6	175.3	-176.8	-177.5	-0.5	0	0	112.4	A334 M335 G340	A334-Q338 PolarHBondContact O-N 3Å; M335-Q338 PolarHBondContact O-N 3.38Å; Q338-G340 VanDerWaalsContact C-N 3.26Å; Q338-G340 PolarHBondContact O-N 3.07Å
339	L	98.5	Very high	98.2	Very high	36 Å²	36	51.7 Å²	51.7	19%	0.188	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-4.8	177.5	-62.1	176.2	0	0	0	113.1	L293 R294 Q297 M335 A336 S337 I341	L293-L339 HydrophobicContact CB-CD1 3.93Å; R294-L339 HydrophobicContact CG-CD1 4.34Å; Q297-L339 HydrophobicContact CG-CB 4.47Å; M335-L339 HydrophobicContact CG-CD1 3.88Å; M335-L339 HydrophobicContact CG-CG 4.22Å; M335-L339 WeakPolarHBondContact O-CB 3.28Å; M335-L339 VanDerWaalsContact O-CG 3.25Å; M335-L339 WeakPolarHBondContact O-CG 3.31Å; M335-L339 PolarHBondContact O-N 2.86Å; A336-L339 PolarHBondContact O-N 3.39Å; S337-L339 VanDerWaalsContact C-N 3.27Å; S337-L339 PolarHBondContact O-N 2.94Å; L339-I341 VanDerWaalsContact C-N 3.34Å; L339-I341 HydrophobicContact CB-CD1 4.33Å; L339-I341 HydrophobicContact CB-CG1 4.08Å; L339-I341 HydrophobicContact CD1-CD1 4.32Å; L339-I341 PolarHBondContact O-N 3.36Å
340	G	98.1	Very high	97.8	Very high	52 Å²	52	56.2 Å²	56.2	54%	0.536	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	24.9	179.5	0	0	0	0	0	114.7	A336 S337 Q338	A336-G340 PolarHBondContact O-N 2.85Å; S337-G340 PolarHBondContact O-N 3.07Å; Q338-G340 VanDerWaalsContact C-N 3.26Å; Q338-G340 PolarHBondContact O-N 3.07Å
341	I	98.4	Very high	97.6	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.021	31%	0.31	C	S	.	.			trans	-114.5	0.1	-176.6	61.4	170.9	0	0	0	113.5	L293 F296 Q297 L300 A336 L339 S343 Q344 T345	L293-I341 HydrophobicContact CB-CD1 4.05Å; L293-I341 HydrophobicContact CD2-CD1 4.05Å; L293-I341 WeakPolarHBondContact O-CD1 3.43Å; F296-I341 HydrophobicContact CD1-CB 4.05Å; F296-I341 HydrophobicContact CD1-CD1 3.92Å; F296-I341 HydrophobicContact CD1-CG2 4.32Å; F296-I341 HydrophobicContact CE1-CB 4.26Å; Q297-I341 HydrophobicContact CB-CG2 3.98Å; Q297-I341 HydrophobicContact CG-CG2 4.29Å; L300-I341 HydrophobicContact CD1-CB 4.46Å; L300-I341 HydrophobicContact CD1-CG2 3.86Å; A336-I341 HydrophobicContact CB-CD1 4.44Å; A336-I341 HydrophobicContact CB-CG1 4.06Å; A336-I341 WeakPolarHBondContact O-CG1 3.39Å; A336-I341 PolarHBondContact O-N 2.93Å; L339-I341 VanDerWaalsContact C-N 3.34Å; L339-I341 HydrophobicContact CB-CD1 4.33Å; L339-I341 HydrophobicContact CB-CG1 4.08Å; L339-I341 HydrophobicContact CD1-CD1 4.32Å; L339-I341 PolarHBondContact O-N 3.36Å; I341-S343 VanDerWaalsContact C-N 3.33Å; I341-S343 PolarHBondContact O-N 2.91Å; I341-Q344 CarbonylContact O-C 3.56Å; I341-Q344 PolarHBondContact O-N 3.38Å; I341-T345 WeakPolarHBondContact O-CB 3.34Å; I341-T345 PolarHBondContact O-N 3.03Å; I341-T345 VanDerWaalsContact O-N 3.12Å; I341-T345 PolarHBondContact O-OG1 3.18Å
342	D	97.8	Very high	97.2	Very high	77 Å²	77	54.8 Å²	54.8	41%	0.412	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-59.5	-40.7	-177.5	60.9	-27.8	0	0	0	112.7	A336 S337 Q344 T345	A336-D342 HydrophobicContact CB-CB 4.42Å; A336-D342 PolarHBondContact O-N 3.45Å; S337-D342 PolarHBondContact OG-OD2 3.36Å; D342-Q344 PolarHBondContact O-N 3.42Å; D342-Q344 VanDerWaalsContact O-N 3.09Å; D342-T345 PolarHBondContact O-N 3.13Å
343	S	97.6	Very high	96.8	Very high	97 Å²	97	58.9 Å²	58.9	68%	0.678	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-59.8	-20.1	175	64.7	0	0	0	0	114.6	I341	I341-S343 VanDerWaalsContact C-N 3.33Å; I341-S343 PolarHBondContact O-N 2.91Å
344	Q	98	Very high	96.4	Very high	25 Å²	25	60.3 Å²	60.3	12%	0.117	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-112.7	8.1	178.2	-64.4	-177.1	-117.4	0	0	112.8	F296 R309 V312 L314 I341 D342	F296-Q344 HydrophobicContact CE1-CB 4.04Å; F296-Q344 HydrophobicContact CZ-CB 4.15Å; R309-Q344 PolarHBondContact O-NE2 2.82Å; V312-Q344 PolarHBondContact O-NE2 2.99Å; L314-Q344 PolarHBondContact N-O 2.91Å; I341-Q344 CarbonylContact O-C 3.56Å; I341-Q344 PolarHBondContact O-N 3.38Å; D342-Q344 PolarHBondContact O-N 3.42Å; D342-Q344 VanDerWaalsContact O-N 3.09Å
345	T	98.6	Very high	96.2	Very high	13 Å²	13	60.7 Å²	60.7	8%	0.08	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	114.2	-179.1	-55.2	0	0	0	0	110.9	L314 M316 I341 D342 W347	L314-T345 HydrophobicContact CB-CG2 4.43Å; L314-T345 HydrophobicContact CD2-CG2 4.04Å; L314-T345 HydrophobicContact CG-CG2 4.26Å; L314-T345 CarbonylContact O-C 3.56Å; L314-T345 VanDerWaalsContact O-CA 3.3Å; L314-T345 WeakPolarHBondContact O-CA 3.4Å; M316-T345 HydrophobicContact CG-CG2 3.88Å; I341-T345 WeakPolarHBondContact O-CB 3.34Å; I341-T345 PolarHBondContact O-N 3.03Å; I341-T345 VanDerWaalsContact O-N 3.12Å; I341-T345 PolarHBondContact O-OG1 3.18Å; D342-T345 PolarHBondContact O-N 3.13Å; T345-W347 HydrophobicContact CG2-CZ2 3.9Å
346	E	98.3	Very high	96.1	Very high	97 Å²	97	59.9 Å²	59.9	45%	0.453	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	140.3	174.5	-171.9	-175.7	171.5	0	0	110.7	L314 V315 M316 K348	L314-E346 PolarHBondContact O-N 3.39Å; V315-E346 WeakPolarHBondContact CA-O 3.37Å; V315-E346 HydrophobicContact CG1-CB 4.39Å; V315-E346 HydrophobicContact CG2-CB 4.19Å; M316-E346 PolarHBondContact N-O 3.01Å; E346-K348 HydrophobicContact CG-CG 4.43Å; E346-K348 WeakPolarHBondContact OE1-CE 3.47Å; E346-K348 IonicContact OE1-NZ 3.88Å
347	W	98.4	Very high	95.9	Very high	51 Å²	51	63.8 Å²	63.8	19%	0.193	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	116.4	179.3	-60.2	86.7	0	0	0	110.5	F283 L293 M316 L329 L332 K333 A336 T345	F283-W347 AromaticContact CE1-CE3 3.96Å; F283-W347 HydrophobicContact CE1-CE3 3.96Å; F283-W347 AromaticContact CE1-CZ3 3.72Å; F283-W347 HydrophobicContact CE1-CZ3 3.72Å; F283-W347 HydrophobicContact CZ-CE3 4.01Å; F283-W347 HydrophobicContact CZ-CZ3 4.26Å; L293-W347 HydrophobicContact CD2-CH2 4.29Å; L293-W347 HydrophobicContact CD2-CZ2 4.36Å; M316-W347 HydrophobicContact CB-CD2 4.04Å; M316-W347 HydrophobicContact CB-CE3 3.47Å; M316-W347 VanDerWaalsContact CB-CE3 3.47Å; M316-W347 HydrophobicContact CB-CH2 4.36Å; M316-W347 HydrophobicContact CB-CZ3 3.67Å; M316-W347 HydrophobicContact CE-CH2 4.37Å; M316-W347 HydrophobicContact CE-CZ3 4.2Å; M316-W347 HydrophobicContact CG-CD2 4.3Å; M316-W347 HydrophobicContact CG-CE3 3.95Å; M316-W347 HydrophobicContact CG-CH2 3.97Å; M316-W347 HydrophobicContact CG-CZ2 4.33Å; M316-W347 HydrophobicContact CG-CZ3 3.78Å; L329-W347 HydrophobicContact CD1-CD2 4.19Å; L329-W347 HydrophobicContact CD1-CE3 3.42Å; L329-W347 VanDerWaalsContact CD1-CE3 3.42Å; L329-W347 HydrophobicContact CD1-CZ3 3.77Å; L332-W347 HydrophobicContact CB-CH2 3.7Å; L332-W347 HydrophobicContact CB-CZ3 4.2Å; K333-W347 HydrophobicContact CG-CD2 3.99Å; K333-W347 HydrophobicContact CG-CG 4.25Å; K333-W347 HydrophobicContact CG-CZ2 4.1Å; A336-W347 HydrophobicContact CB-CZ2 4.2Å; T345-W347 HydrophobicContact CG2-CZ2 3.9Å
348	K	98	Very high	95.7	Very high	32 Å²	32	63.9 Å²	63.9	14%	0.139	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	101	180	-71.5	-166.5	173.8	-147.3	0	110.2	V315 M316 I317 G318 E346 V351 E355 S359	V315-K348 HydrophobicContact CG1-CD 3.81Å; V315-K348 HydrophobicContact CG1-CG 4.04Å; M316-K348 PolarHBondContact O-N 3.34Å; I317-K348 VanDerWaalsContact CA-O 3.31Å; I317-K348 WeakPolarHBondContact CA-O 3.5Å; I317-K348 HydrophobicContact CB-CB 4.37Å; I317-K348 HydrophobicContact CG1-CB 4.09Å; I317-K348 HydrophobicContact CG1-CD 4.38Å; I317-K348 HydrophobicContact CG2-CB 4.16Å; G318-K348 PolarHBondContact N-O 3.03Å; E346-K348 HydrophobicContact CG-CG 4.43Å; E346-K348 WeakPolarHBondContact OE1-CE 3.47Å; E346-K348 IonicContact OE1-NZ 3.88Å; K348-V351 HydrophobicContact CB-CG1 3.74Å; K348-V351 HydrophobicContact CG-CG1 4.41Å; K348-E355 WeakPolarHBondContact CD-OE1 3.31Å; K348-E355 WeakPolarHBondContact CE-OE1 3.17Å; K348-E355 IonicContact NZ-OE1 3.5Å; K348-E355 PolarHBondContact NZ-OE1 3.49Å; K348-S359 PolarHBondContact NZ-OG 3.02Å; K348-S359 VanDerWaalsContact NZ-OG 3.08Å
349	V	96	Very high	95.5	Very high	48 Å²	48	56.6 Å²	56.6	29%	0.291	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	129.7	-171.9	-168.5	0	0	0	0	110	F283 G318 C320 L329 V351	F283-V349 HydrophobicContact CE2-CG1 4.34Å; F283-V349 HydrophobicContact CE2-CG2 4.05Å; G318-V349 CarbonylContact O-C 3.51Å; G318-V349 WeakPolarHBondContact O-CA 3.36Å; C320-V349 HydrophobicContact CB-CG1 4.49Å; L329-V349 HydrophobicContact CD2-CG1 4.28Å; L329-V349 HydrophobicContact CD2-CG2 3.63Å; V349-V351 PolarHBondContact O-N 3.48Å
350	D	90.9	Very high	95.4	Very high	95 Å²	95	55 Å²	55	51%	0.508	31%	0.309	S	S	.	.	S	Bend	trans	54	35.7	177	-62.5	-51.8	0	0	0	113.9	G318 S319 C320	G318-D350 PolarHBondContact O-N 2.95Å; S319-D350 WeakPolarHBondContact CA-OD1 3.33Å; S319-D350 WeakPolarHBondContact CB-OD1 3.26Å; C320-D350 PolarHBondContact N-OD1 3.06Å
351	V	92.1	Very high	95.2	Very high	35 Å²	35	53.1 Å²	53.1	21%	0.212	29%	0.29	C	S	.	.			trans	-69.1	147.6	-178.1	-63.2	0	0	0	0	112.7	I317 K348 V349 E355 L356	I317-V351 HydrophobicContact CG2-CG2 3.68Å; K348-V351 HydrophobicContact CB-CG1 3.74Å; K348-V351 HydrophobicContact CG-CG1 4.41Å; V349-V351 PolarHBondContact O-N 3.48Å; V351-E355 HydrophobicContact CB-CB 4.18Å; V351-E355 HydrophobicContact CB-CG 4.28Å; V351-E355 HydrophobicContact CG1-CG 4.47Å; V351-E355 WeakPolarHBondContact CG1-OE2 3.34Å; V351-L356 HydrophobicContact CG2-CB 4.29Å
352	P	90.5	Very high	95	Very high	86 Å²	86	55.6 Å²	55.6	56%	0.558	31%	0.312	S	S	*	.			trans	-58.9	154.3	172.2	-22.9	33.9	0	0	0	112.5	D354 E355 L356	P352-D354 PolarHBondContact O-N 2.93Å; P352-E355 PolarHBondContact O-N 2.89Å; P352-L356 PolarHBondContact O-N 3.16Å
353	F	89.2	Confident	94.9	Very high	88 Å²	88	52 Å²	52	39%	0.386	29%	0.292	S	S	.	.	H	α-helix	trans	-54.7	-38	-179.9	178.2	-91.5	0	0	0	113.2	K261 F262 E355 L356 R357	K261-F353 HydrophobicContact CB-CE1 4.12Å; K261-F353 HydrophobicContact CB-CZ 4.18Å; K261-F353 HydrophobicContact CD-CD1 4.39Å; K261-F353 HydrophobicContact CD-CE1 3.48Å; K261-F353 VanDerWaalsContact CD-CE1 3.48Å; K261-F353 HydrophobicContact CD-CZ 4.08Å; K261-F353 HydrophobicContact CG-CE1 4.43Å; F262-F353 HydrophobicContact CE1-CE2 4.27Å; F262-F353 HydrophobicContact CE1-CZ 4.12Å; F262-F353 AromaticContact CE2-CE2 3.96Å; F262-F353 HydrophobicContact CE2-CE2 3.96Å; F262-F353 HydrophobicContact CE2-CZ 4.09Å; F262-F353 HydrophobicContact CZ-CD2 4.47Å; F262-F353 AromaticContact CZ-CE2 3.5Å; F262-F353 HydrophobicContact CZ-CE2 3.5Å; F262-F353 AromaticContact CZ-CZ 3.7Å; F262-F353 HydrophobicContact CZ-CZ 3.7Å; F353-E355 VanDerWaalsContact C-N 3.32Å; F353-E355 PolarHBondContact O-N 3.5Å; F353-L356 PolarHBondContact O-N 3.04Å; F353-R357 HydrophobicContact CE1-CB 4.44Å; F353-R357 WeakPolarHBondContact O-CB 3.43Å; F353-R357 PolarHBondContact O-N 3.47Å
354	D	92	Very high	94.8	Very high	96 Å²	96	47.5 Å²	47.5	51%	0.513	26%	0.261	S	S	.	.	H	α-helix	trans	-66.9	-33.8	179.6	-70.7	-38.1	0	0	0	112.7	P352 R357 A358	P352-D354 PolarHBondContact O-N 2.93Å; D354-R357 PolarHBondContact O-N 3.29Å; D354-R357 IonicContact OD1-NH2 3.05Å; D354-A358 WeakPolarHBondContact O-CB 3.1Å; D354-A358 PolarHBondContact O-N 2.96Å
355	E	94.5	Very high	94.8	Very high	72 Å²	72	46.3 Å²	46.3	34%	0.336	26%	0.255	S	S	.	.	H	α-helix	trans	-74.5	-39.4	175	-173.5	-177.3	165.6	0	0	111.8	K348 V351 P352 F353 R357 A358 S359	K348-E355 WeakPolarHBondContact CD-OE1 3.31Å; K348-E355 WeakPolarHBondContact CE-OE1 3.17Å; K348-E355 IonicContact NZ-OE1 3.5Å; K348-E355 PolarHBondContact NZ-OE1 3.49Å; V351-E355 HydrophobicContact CB-CB 4.18Å; V351-E355 HydrophobicContact CB-CG 4.28Å; V351-E355 HydrophobicContact CG1-CG 4.47Å; V351-E355 WeakPolarHBondContact CG1-OE2 3.34Å; P352-E355 PolarHBondContact O-N 2.89Å; F353-E355 VanDerWaalsContact C-N 3.32Å; F353-E355 PolarHBondContact O-N 3.5Å; E355-R357 VanDerWaalsContact C-N 3.28Å; E355-R357 PolarHBondContact O-N 3.19Å; E355-A358 PolarHBondContact O-N 3.46Å; E355-S359 WeakPolarHBondContact O-CB 3.48Å; E355-S359 PolarHBondContact O-N 3.11Å; E355-S359 PolarHBondContact O-OG 3.48Å
356	L	94.6	Very high	94.8	Very high	28 Å²	28	45.7 Å²	45.7	15%	0.147	25%	0.251	C	S	.	.	H	α-helix	trans	-55.8	-47.8	169.8	171.5	64.7	0	0	0	110	F262 V280 I317 V351 P352 F353 A358 S359 L360	F262-L356 HydrophobicContact CZ-CD2 4.36Å; V280-L356 HydrophobicContact CG1-CD1 4.04Å; V280-L356 HydrophobicContact CG2-CD1 4.13Å; I317-L356 HydrophobicContact CD1-CD1 4.13Å; I317-L356 HydrophobicContact CG2-CD1 3.94Å; V351-L356 HydrophobicContact CG2-CB 4.29Å; P352-L356 PolarHBondContact O-N 3.16Å; F353-L356 PolarHBondContact O-N 3.04Å; L356-A358 PolarHBondContact O-N 3.48Å; L356-S359 PolarHBondContact O-N 3.34Å; L356-L360 HydrophobicContact CD1-CD1 4.13Å; L356-L360 HydrophobicContact CD1-CG 4.06Å; L356-L360 HydrophobicContact CG-CD1 4.32Å; L356-L360 WeakPolarHBondContact O-CB 3.45Å; L356-L360 WeakPolarHBondContact O-CG 3.32Å; L356-L360 PolarHBondContact O-N 2.82Å
357	R	94.7	Very high	94.8	Very high	82 Å²	82	41.2 Å²	41.2	31%	0.309	23%	0.23	S	C	.	.	H	α-helix	trans	-60.5	-45	177.7	-174.9	-177.7	67	146.5	-1.1	112.4	F262 L265 F353 D354 E355 G361	F262-R357 HydrophobicContact CD1-CB 4.29Å; F262-R357 HydrophobicContact CD1-CG 3.97Å; F262-R357 HydrophobicContact CE1-CB 3.9Å; F262-R357 HydrophobicContact CE1-CG 4.09Å; L265-R357 HydrophobicContact CD1-CG 3.94Å; L265-R357 HydrophobicContact CD2-CG 4.19Å; L265-R357 HydrophobicContact CG-CG 4.36Å; F353-R357 HydrophobicContact CE1-CB 4.44Å; F353-R357 WeakPolarHBondContact O-CB 3.43Å; F353-R357 PolarHBondContact O-N 3.47Å; D354-R357 PolarHBondContact O-N 3.29Å; D354-R357 IonicContact OD1-NH2 3.05Å; E355-R357 VanDerWaalsContact C-N 3.28Å; E355-R357 PolarHBondContact O-N 3.19Å; R357-G361 PolarHBondContact O-N 3.26Å
358	A	94.2	Very high	94.8	Very high	62 Å²	62	39.4 Å²	39.4	51%	0.512	22%	0.224	S	C	.	.	H	α-helix	trans	-61.7	-45	176.3	0	0	0	0	0	111.6	D354 E355 L356 L360 G361 A362	D354-A358 WeakPolarHBondContact O-CB 3.1Å; D354-A358 PolarHBondContact O-N 2.96Å; E355-A358 PolarHBondContact O-N 3.46Å; L356-A358 PolarHBondContact O-N 3.48Å; A358-L360 PolarHBondContact O-N 2.91Å; A358-G361 PolarHBondContact O-N 2.95Å; A358-A362 PolarHBondContact O-N 2.95Å
359	S	95.6	Very high	94.9	Very high	13 Å²	13	38 Å²	38	9%	0.091	22%	0.219	C	C	.	.	H	α-helix	trans	-65	-42.1	-179.6	-52.7	0	0	0	0	111.9	I317 K348 E355 L356 A362 A363	I317-S359 VanDerWaalsContact CD1-CB 3.46Å; K348-S359 PolarHBondContact NZ-OG 3.02Å; K348-S359 VanDerWaalsContact NZ-OG 3.08Å; E355-S359 WeakPolarHBondContact O-CB 3.48Å; E355-S359 PolarHBondContact O-N 3.11Å; E355-S359 PolarHBondContact O-OG 3.48Å; L356-S359 PolarHBondContact O-N 3.34Å; S359-A362 PolarHBondContact O-N 3.45Å; S359-A363 PolarHBondContact O-N 3.09Å; S359-A363 VanDerWaalsContact O-N 3.17Å
360	L	95.8	Very high	94.9	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-66.5	-36.6	174	-70.7	-171.5	0	0	0	112.7	F262 V278 V280 L356 A358 A362 A363 E381 M382 A385	F262-L360 HydrophobicContact CD1-CD1 4.14Å; F262-L360 HydrophobicContact CE1-CD1 3.75Å; F262-L360 HydrophobicContact CZ-CD1 4.15Å; V278-L360 HydrophobicContact CB-CD2 4.27Å; V278-L360 HydrophobicContact CG2-CD2 3.64Å; V280-L360 HydrophobicContact CG2-CD2 3.69Å; L356-L360 HydrophobicContact CD1-CD1 4.13Å; L356-L360 HydrophobicContact CD1-CG 4.06Å; L356-L360 HydrophobicContact CG-CD1 4.32Å; L356-L360 WeakPolarHBondContact O-CB 3.45Å; L356-L360 WeakPolarHBondContact O-CG 3.32Å; L356-L360 PolarHBondContact O-N 2.82Å; A358-L360 PolarHBondContact O-N 2.91Å; L360-A362 VanDerWaalsContact C-N 3.34Å; L360-A363 PolarHBondContact O-N 3.1Å; L360-E381 HydrophobicContact CD1-CB 4.44Å; L360-M382 HydrophobicContact CD2-CG 3.72Å; L360-A385 HydrophobicContact CB-CB 3.64Å; L360-A385 HydrophobicContact CD1-CB 4.39Å
361	G	94.3	Very high	95.1	Very high	13 Å²	13	36.4 Å²	36.4	13%	0.134	20%	0.2	C	C	.	.	H	α-helix	trans	-68.5	-30.2	176.5	0	0	0	0	0	113.9	R269 R357 A358	R269-G361 VanDerWaalsContact CD-O 3.3Å; R269-G361 WeakPolarHBondContact CD-O 3.25Å; R269-G361 PolarHBondContact NE-O 3.29Å; R269-G361 PolarHBondContact NH1-O 3.08Å; R269-G361 PolarHBondContact NH2-O 2.56Å; R357-G361 PolarHBondContact O-N 3.26Å; A358-G361 PolarHBondContact O-N 2.95Å
362	A	94	Very high	95.1	Very high	57 Å²	57	35.7 Å²	35.7	47%	0.471	20%	0.195	S	C	.	.	H	α-helix	trans	-80	-22.9	174.2	0	0	0	0	0	112.9	A358 S359 L360	A358-A362 PolarHBondContact O-N 2.95Å; S359-A362 PolarHBondContact O-N 3.45Å; L360-A362 VanDerWaalsContact C-N 3.34Å
363	A	95.9	Very high	95.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.174	C	C	.	.			trans	-69.4	137.1	-175.7	0	0	0	0	0	112.8	R269 T276 V278 S359 L360 A387	R269-A363 PolarHBondContact NE-O 2.93Å; R269-A363 PolarHBondContact NH2-O 3.35Å; T276-A363 WeakPolarHBondContact O-CA 3.27Å; V278-A363 HydrophobicContact CB-CB 4.11Å; V278-A363 HydrophobicContact CG1-CB 3.54Å; V278-A363 HydrophobicContact CG2-CB 3.47Å; V278-A363 VanDerWaalsContact CG2-CB 3.47Å; S359-A363 PolarHBondContact O-N 3.09Å; S359-A363 VanDerWaalsContact O-N 3.17Å; L360-A363 PolarHBondContact O-N 3.1Å; A363-A387 HydrophobicContact CB-CB 4.23Å
364	I	95.8	Very high	95.4	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.021	17%	0.165	C	C	.	.	S	Bend	trans	-87.9	-30.6	170.2	53.7	162.7	0	0	0	111.6	R269 L275 T276 I388 L428	R269-I364 HydrophobicContact CG-CG2 4.13Å; L275-I364 HydrophobicContact CB-CD1 3.63Å; L275-I364 HydrophobicContact CD2-CD1 3.96Å; L275-I364 HydrophobicContact CG-CD1 4.26Å; T276-I364 WeakPolarHBondContact O-CG1 3.49Å; T276-I364 PolarHBondContact O-N 3.15Å; I364-I388 PolarHBondContact O-N 3.01Å; I364-L428 HydrophobicContact CD1-CD2 3.22Å; I364-L428 HydrophobicContact CG1-CD2 4.47Å
365	A	97.9	Very high	95.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	147.8	-176.6	0	0	0	0	0	111	I277 V278 I388 L424 I427	I277-A365 WeakPolarHBondContact CA-O 3.39Å; I277-A365 HydrophobicContact CG1-CB 4.25Å; V278-A365 PolarHBondContact N-O 3.21Å; A365-I388 CarbonylContact C-O 3.58Å; A365-I388 WeakPolarHBondContact CA-O 2.91Å; A365-L424 HydrophobicContact CB-CD2 4.06Å; A365-I427 HydrophobicContact CB-CD1 4.14Å; A365-I427 HydrophobicContact CB-CG2 3.98Å
366	G	98.5	Very high	95.4	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	137.1	172.3	0	0	0	0	0	110.4	V278 M382 I388 V389 V390	V278-G366 CarbonylContact O-C 3.43Å; V278-G366 VanDerWaalsContact O-CA 3.31Å; V278-G366 WeakPolarHBondContact O-CA 3.45Å; G366-M382 WeakPolarHBondContact CA-SD 3.42Å; G366-I388 PolarHBondContact N-O 3.23Å; G366-V389 CarbonylContact O-C 3.54Å; G366-V389 WeakPolarHBondContact O-CA 3.08Å; G366-V390 PolarHBondContact O-N 2.93Å
367	I	98.8	Very high	95.4	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.01	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	130	176	-168.1	178.2	0	0	0	111.2	I277 V278 S279 T292 L314 T369 Y420 L424	I277-I367 HydrophobicContact CG2-CB 4.14Å; I277-I367 HydrophobicContact CG2-CG2 3.91Å; V278-I367 PolarHBondContact O-N 2.91Å; S279-I367 PolarHBondContact OG-O 3.09Å; S279-I367 VanDerWaalsContact OG-O 3.08Å; T292-I367 HydrophobicContact CG2-CD1 4.16Å; T292-I367 HydrophobicContact CG2-CG2 3.81Å; L314-I367 HydrophobicContact CD1-CG2 4.27Å; I367-T369 HydrophobicContact CD1-CG2 4.26Å; I367-T369 HydrophobicContact CG1-CG2 4.19Å; I367-Y420 HydrophobicContact CD1-CD1 3.84Å; I367-Y420 HydrophobicContact CD1-CE1 4.3Å; I367-Y420 HydrophobicContact CD1-CG 4.43Å; I367-Y420 HydrophobicContact CG1-CD1 3.81Å; I367-Y420 HydrophobicContact CG1-CE1 3.87Å; I367-L424 HydrophobicContact CD1-CD1 4.03Å
368	H	98.5	Very high	95.3	Very high	14 Å²	14	20.3 Å²	20.3	7%	0.065	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	120	179.1	179.2	-78.2	0	0	0	111.3	E373 I379 M382 V390 A391 H392 Y420	H368-E373 IonicContact CE1-OE2 2.72Å; H368-E373 PolarHBondContact CE1-OE2 2.89Å; H368-E373 IonicContact NE2-OE2 3.28Å; H368-E373 PolarHBondContact NE2-OE2 3.4Å; H368-I379 HydrophobicContact CB-CD1 4.11Å; H368-I379 HydrophobicContact CB-CG1 3.97Å; H368-M382 HydrophobicContact CB-CE 4.33Å; H368-V390 PolarHBondContact N-O 3.19Å; H368-A391 HydrophobicContact CB-CB 4.41Å; H368-A391 CarbonylContact O-C 3.53Å; H368-A391 WeakPolarHBondContact O-CA 3.33Å; H368-H392 PolarHBondContact O-N 2.98Å; H368-Y420 PolarHBondContact O-OH 3.32Å
369	T	98.3	Very high	95.5	Very high	3 Å²	3	17.4 Å²	17.4	2%	0.018	10%	0.099	C	C	.	.			trans	-114.9	-3.9	-166.7	48.8	0	0	0	0	116	K287 D288 L291 T292 I367 W371 H392 Y420	K287-T369 PolarHBondContact O-OG1 3.25Å; D288-T369 WeakPolarHBondContact O-CB 3.36Å; D288-T369 PolarHBondContact O-OG1 3.44Å; L291-T369 HydrophobicContact CB-CG2 4.15Å; L291-T369 HydrophobicContact CD2-CG2 4.12Å; L291-T369 HydrophobicContact CG-CG2 3.86Å; T292-T369 WeakPolarHBondContact OG1-CG2 3.33Å; T292-T369 PolarHBondContact OG1-OG1 2.99Å; I367-T369 HydrophobicContact CD1-CG2 4.26Å; I367-T369 HydrophobicContact CG1-CG2 4.19Å; T369-W371 PolarHBondContact O-N 3Å; T369-W371 VanDerWaalsContact O-N 3.09Å; T369-H392 PolarHBondContact O-CD2 3.41Å; T369-Y420 WeakPolarHBondContact CA-OH 3.42Å; T369-Y420 HydrophobicContact CG2-CE1 4.06Å; T369-Y420 HydrophobicContact CG2-CE2 4.13Å
370	M	96.5	Very high	95.6	Very high	9 Å²	9	16.8 Å²	16.8	4%	0.044	10%	0.095	C	C	.	.			trans	-60.5	118.1	179.4	176.6	164.3	176.7	0	0	112	E286 K287 E373 H392	E286-M370 HydrophobicContact CB-CE 4.18Å; E286-M370 HydrophobicContact CB-SD 4.47Å; E286-M370 HydrophobicContact CG-CE 4.17Å; E286-M370 HydrophobicContact CG-SD 4.17Å; E286-M370 WeakPolarHBondContact O-CG 3.25Å; K287-M370 HydrophobicContact CD-CB 4.09Å; K287-M370 HydrophobicContact CD-CG 4.47Å; K287-M370 HydrophobicContact CD-SD 3.77Å; K287-M370 PolarHBondContact NZ-SD 2.78Å; K287-M370 PolarHBondContact O-N 3.39Å; M370-E373 HydrophobicContact CB-CB 4.06Å; M370-E373 WeakPolarHBondContact CB-OE2 3.46Å; M370-E373 HydrophobicContact CG-CB 3.83Å; M370-E373 WeakPolarHBondContact CG-OE2 3.49Å; M370-E373 HydrophobicContact SD-CB 4.16Å; M370-E373 HydrophobicContact SD-CG 4.38Å; M370-H392 WeakPolarHBondContact O-CB 3.35Å
371	W	94.6	Very high	95.6	Very high	99 Å²	99	18.2 Å²	18.2	38%	0.375	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	135.3	170.5	-178.1	83.3	0	0	0	111	D179 M183 T369 E373 H392	D179-W371 HydrophobicContact CB-CH2 4.42Å; M183-W371 HydrophobicContact CE-CZ3 4.33Å; M183-W371 HydrophobicContact CG-CH2 4.1Å; M183-W371 HydrophobicContact SD-CH2 3.51Å; M183-W371 VanDerWaalsContact SD-CH2 3.51Å; M183-W371 HydrophobicContact SD-CZ3 3.5Å; M183-W371 VanDerWaalsContact SD-CZ3 3.5Å; T369-W371 PolarHBondContact O-N 3Å; T369-W371 VanDerWaalsContact O-N 3.09Å; W371-E373 PolarHBondContact O-N 2.94Å; W371-E373 VanDerWaalsContact O-N 3.13Å; W371-H392 AromaticContact CD1-CE1 3.43Å; W371-H392 VanDerWaalsContact CD1-CE1 3.43Å; W371-H392 AromaticContact CD1-NE2 3.82Å
372	N	92.5	Very high	95.7	Very high	20 Å²	20	17.6 Å²	17.6	11%	0.107	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	35.5	-176.1	-79.8	-13.1	0	0	0	114.3	D179 W235 H374 S394	D179-N372 PolarHBondContact OD2-ND2 3.49Å; W235-N372 HydrophobicContact CZ2-CB 3.93Å; N372-H374 PolarHBondContact O-N 3.39Å; N372-S394 PolarHBondContact N-OG 3.03Å; N372-S394 WeakPolarHBondContact OD1-CB 3.39Å
373	E	93.7	Very high	95.9	Very high	21 Å²	21	14.9 Å²	14.9	10%	0.098	7%	0.073	C	C	.	.			trans	-50.9	128.4	169.2	179.4	85.3	-133.3	0	0	109.5	K287 H368 M370 W371 F375 G395 G396 P397	K287-E373 IonicContact NZ-OE1 3.11Å; K287-E373 PolarHBondContact NZ-OE1 3.18Å; K287-E373 IonicContact NZ-OE2 3.41Å; K287-E373 PolarHBondContact NZ-OE2 2.96Å; H368-E373 IonicContact CE1-OE2 2.72Å; H368-E373 PolarHBondContact CE1-OE2 2.89Å; H368-E373 IonicContact NE2-OE2 3.28Å; H368-E373 PolarHBondContact NE2-OE2 3.4Å; M370-E373 HydrophobicContact CB-CB 4.06Å; M370-E373 WeakPolarHBondContact CB-OE2 3.46Å; M370-E373 HydrophobicContact CG-CB 3.83Å; M370-E373 WeakPolarHBondContact CG-OE2 3.49Å; M370-E373 HydrophobicContact SD-CB 4.16Å; M370-E373 HydrophobicContact SD-CG 4.38Å; W371-E373 PolarHBondContact O-N 2.94Å; W371-E373 VanDerWaalsContact O-N 3.13Å; E373-F375 PolarHBondContact O-N 3.47Å; E373-G395 CarbonylContact O-C 3.57Å; E373-G395 WeakPolarHBondContact O-CA 3.32Å; E373-G396 PolarHBondContact O-N 2.81Å; E373-P397 HydrophobicContact CB-CG 3.78Å; E373-P397 HydrophobicContact CG-CG 4.09Å; E373-P397 VanDerWaalsContact O-CD 3.23Å; E373-P397 WeakPolarHBondContact O-CD 3.38Å
374	H	92.1	Very high	96	Very high	45 Å²	45	14.9 Å²	14.9	21%	0.208	7%	0.073	C	C	.	.	S	Bend	trans	-64.9	-44.1	-171.4	-46.6	-49.3	0	0	0	111.3	H172 Y173 S233 W235 N372 G396	H172-H374 VanDerWaalsContact O-CB 3.31Å; H172-H374 WeakPolarHBondContact O-CB 2.92Å; Y173-H374 WeakPolarHBondContact CB-NE2 3.44Å; S233-H374 WeakPolarHBondContact CB-O 3.47Å; S233-H374 PolarHBondContact OG-O 3.44Å; W235-H374 HydrophobicContact CE3-CB 4.42Å; W235-H374 AromaticContact CE3-ND1 3.83Å; W235-H374 AromaticContact CH2-CE1 4Å; W235-H374 AromaticContact CH2-ND1 3.54Å; W235-H374 HydrophobicContact CZ3-CB 4.42Å; W235-H374 AromaticContact CZ3-CE1 3.94Å; W235-H374 AromaticContact CZ3-ND1 3.12Å; W235-H374 WeakPolarHBondContact CZ3-ND1 3.34Å; N372-H374 PolarHBondContact O-N 3.39Å; H374-G396 WeakPolarHBondContact O-CA 3.27Å; H374-G396 PolarHBondContact O-N 2.63Å
375	F	94.3	Very high	96.1	Very high	5 Å²	5	14.7 Å²	14.7	2%	0.022	7%	0.072	C	C	.	.	S	Bend	trans	-134.8	-72.8	175.1	-177.9	-105.5	0	0	0	111	N232 F254 P255 E373 I377 V380 P397 I401 F449	N232-F375 WeakPolarHBondContact O-CD2 3.45Å; F254-F375 HydrophobicContact CB-CE2 4.22Å; F254-F375 HydrophobicContact CB-CZ 4.38Å; F254-F375 AromaticContact CD1-CD2 3.98Å; F254-F375 HydrophobicContact CD1-CD2 3.98Å; F254-F375 AromaticContact CD1-CE2 3.44Å; F254-F375 HydrophobicContact CD1-CE2 3.44Å; F254-F375 VanDerWaalsContact CD1-CE2 3.44Å; F254-F375 HydrophobicContact CD1-CZ 4.35Å; F254-F375 HydrophobicContact CE1-CE2 4.08Å; F254-F375 HydrophobicContact CG-CE2 4.08Å; P255-F375 HydrophobicContact CG-CB 4.3Å; P255-F375 HydrophobicContact CG-CD1 3.2Å; P255-F375 HydrophobicContact CG-CD2 4.27Å; P255-F375 HydrophobicContact CG-CE1 3.44Å; P255-F375 VanDerWaalsContact CG-CE1 3.44Å; P255-F375 HydrophobicContact CG-CE2 4.47Å; P255-F375 HydrophobicContact CG-CG 3.66Å; P255-F375 HydrophobicContact CG-CZ 4.09Å; E373-F375 PolarHBondContact O-N 3.47Å; F375-I377 HydrophobicContact CD1-CG1 3.96Å; F375-I377 HydrophobicContact CE1-CG1 4.25Å; F375-V380 HydrophobicContact CE1-CG2 3.89Å; F375-V380 HydrophobicContact CZ-CG2 4.06Å; F375-P397 VanDerWaalsContact O-CD 3.31Å; F375-P397 WeakPolarHBondContact O-CD 3.21Å; F375-I401 HydrophobicContact CD1-CD1 4.35Å; F375-I401 HydrophobicContact CD2-CD1 4.39Å; F375-I401 HydrophobicContact CE1-CD1 4.21Å; F375-I401 HydrophobicContact CE2-CD1 4.22Å; F375-I401 HydrophobicContact CE2-CG1 4.09Å; F375-I401 HydrophobicContact CG-CD1 4.45Å; F375-I401 HydrophobicContact CZ-CD1 4.13Å; F375-I401 HydrophobicContact CZ-CG1 4.24Å; F375-I401 WeakPolarHBondContact O-CD1 3.39Å; F375-F449 AromaticContact CE2-CD1 3.94Å; F375-F449 HydrophobicContact CE2-CD1 3.94Å; F375-F449 AromaticContact CE2-CE1 3.74Å; F375-F449 HydrophobicContact CE2-CE1 3.74Å; F375-F449 HydrophobicContact CE2-CZ 4.3Å; F375-F449 HydrophobicContact CZ-CB 4.38Å; F375-F449 AromaticContact CZ-CD1 3.52Å; F375-F449 HydrophobicContact CZ-CD1 3.52Å; F375-F449 HydrophobicContact CZ-CD2 4.29Å; F375-F449 AromaticContact CZ-CE1 3.71Å; F375-F449 HydrophobicContact CZ-CE1 3.71Å; F375-F449 HydrophobicContact CZ-CE2 4.47Å; F375-F449 AromaticContact CZ-CG 3.81Å; F375-F449 HydrophobicContact CZ-CG 3.81Å; F375-F449 HydrophobicContact CZ-CZ 4.19Å
376	G	93.7	Very high	96	Very high	4 Å²	4	14.7 Å²	14.7	4%	0.041	7%	0.072	C	C	.	.			trans	105	66.4	-179.9	0	0	0	0	0	114.1	G378 I379 V380 I401	G376-G378 VanDerWaalsContact C-N 3.29Å; G376-G378 PolarHBondContact O-N 3.44Å; G376-I379 WeakPolarHBondContact O-CB 3.47Å; G376-I379 PolarHBondContact O-N 3.47Å; G376-V380 PolarHBondContact O-N 2.96Å; G376-I401 WeakPolarHBondContact O-CD1 3.38Å
377	I	92.8	Very high	95.9	Very high	38 Å²	38	14.7 Å²	14.7	20%	0.195	7%	0.072	C	C	.	.	H	α-helix	trans	-57.2	-41.5	178.7	-64.7	175.4	0	0	0	111.5	P255 F375 I379 V380 E381	P255-I377 HydrophobicContact CB-CD1 4.33Å; P255-I377 HydrophobicContact CG-CD1 4.39Å; P255-I377 HydrophobicContact CG-CG1 4.21Å; F375-I377 HydrophobicContact CD1-CG1 3.96Å; F375-I377 HydrophobicContact CE1-CG1 4.25Å; I377-I379 PolarHBondContact O-N 3.37Å; I377-V380 WeakPolarHBondContact O-CA 3.48Å; I377-V380 WeakPolarHBondContact O-CB 3.31Å; I377-V380 PolarHBondContact O-N 2.84Å; I377-E381 HydrophobicContact CG2-CG 4.26Å; I377-E381 PolarHBondContact O-N 3.36Å
378	G	93.6	Very high	95.9	Very high	17 Å²	17	14.6 Å²	14.6	18%	0.175	7%	0.072	C	C	.	.	H	α-helix	trans	-60.1	-28.2	177.8	0	0	0	0	0	113.7	G376 E381 M382	G376-G378 VanDerWaalsContact C-N 3.29Å; G376-G378 PolarHBondContact O-N 3.44Å; G378-E381 PolarHBondContact O-N 3.47Å; G378-M382 WeakPolarHBondContact O-CB 3.34Å; G378-M382 VanDerWaalsContact O-CG 3.31Å; G378-M382 WeakPolarHBondContact O-CG 3.45Å; G378-M382 PolarHBondContact O-N 2.88Å
379	I	97.8	Very high	95.9	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-68.8	-43.4	174.6	-51.1	176.5	0	0	0	110.1	H368 G376 I377 E381 M382 M383 V389 A391 P397 I401 V402	H368-I379 HydrophobicContact CB-CD1 4.11Å; H368-I379 HydrophobicContact CB-CG1 3.97Å; G376-I379 WeakPolarHBondContact O-CB 3.47Å; G376-I379 PolarHBondContact O-N 3.47Å; I377-I379 PolarHBondContact O-N 3.37Å; I379-E381 VanDerWaalsContact C-N 3.32Å; I379-E381 PolarHBondContact O-N 2.91Å; I379-M382 HydrophobicContact CG1-CE 4.45Å; I379-M382 PolarHBondContact O-N 3.48Å; I379-M383 HydrophobicContact CG2-SD 4.19Å; I379-M383 WeakPolarHBondContact O-CB 3.49Å; I379-M383 VanDerWaalsContact O-CG 3.27Å; I379-M383 WeakPolarHBondContact O-CG 3.49Å; I379-M383 PolarHBondContact O-N 2.84Å; I379-V389 HydrophobicContact CG2-CB 4.17Å; I379-V389 HydrophobicContact CG2-CG1 4.15Å; I379-V389 HydrophobicContact CG2-CG2 3.92Å; I379-A391 HydrophobicContact CD1-CB 3.97Å; I379-P397 HydrophobicContact CD1-CB 3.67Å; I379-P397 HydrophobicContact CD1-CG 3.49Å; I379-P397 VanDerWaalsContact CD1-CG 3.49Å; I379-I401 HydrophobicContact CB-CD1 4.31Å; I379-I401 HydrophobicContact CB-CG2 4.33Å; I379-I401 HydrophobicContact CG2-CG2 3.76Å; I379-V402 HydrophobicContact CG2-CG2 4.03Å
380	V	97.3	Very high	95.9	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.8	-42.4	174.9	-176.6	0	0	0	0	110.7	C257 F259 F375 G376 I377 M383 A384 I401 T446 F449	C257-V380 HydrophobicContact CB-CG1 4.12Å; F259-V380 HydrophobicContact CD1-CG1 3.89Å; F259-V380 HydrophobicContact CE1-CG1 4.06Å; F375-V380 HydrophobicContact CE1-CG2 3.89Å; F375-V380 HydrophobicContact CZ-CG2 4.06Å; G376-V380 PolarHBondContact O-N 2.96Å; I377-V380 WeakPolarHBondContact O-CA 3.48Å; I377-V380 WeakPolarHBondContact O-CB 3.31Å; I377-V380 PolarHBondContact O-N 2.84Å; V380-M383 PolarHBondContact O-N 3.32Å; V380-A384 WeakPolarHBondContact O-CB 3.37Å; V380-A384 PolarHBondContact O-N 3.18Å; V380-I401 HydrophobicContact CG2-CD1 3.86Å; V380-I401 HydrophobicContact CG2-CG1 4.32Å; V380-I401 HydrophobicContact CG2-CG2 4.32Å; V380-T446 HydrophobicContact CG1-CG2 3.82Å; V380-F449 HydrophobicContact CB-CD2 4.43Å; V380-F449 HydrophobicContact CG1-CB 4.31Å; V380-F449 HydrophobicContact CG1-CD2 3.8Å; V380-F449 HydrophobicContact CG1-CG 4.49Å; V380-F449 HydrophobicContact CG2-CD2 3.68Å; V380-F449 HydrophobicContact CG2-CE2 4.03Å; V380-F449 HydrophobicContact CG2-CG 4.34Å
381	E	95.8	Very high	96.1	Very high	31 Å²	31	13.4 Å²	13.4	15%	0.145	7%	0.065	C	C	.	.	H	α-helix	trans	-63.6	-45	177.5	-67.8	172.3	160.7	0	0	111.9	F262 L360 I377 G378 I379 A384 A385	F262-E381 HydrophobicContact CD2-CB 4.11Å; F262-E381 HydrophobicContact CD2-CG 4.13Å; F262-E381 HydrophobicContact CE2-CB 3.94Å; F262-E381 HydrophobicContact CE2-CG 3.78Å; L360-E381 HydrophobicContact CD1-CB 4.44Å; I377-E381 HydrophobicContact CG2-CG 4.26Å; I377-E381 PolarHBondContact O-N 3.36Å; G378-E381 PolarHBondContact O-N 3.47Å; I379-E381 VanDerWaalsContact C-N 3.32Å; I379-E381 PolarHBondContact O-N 2.91Å; E381-A384 PolarHBondContact O-N 3.45Å; E381-A385 WeakPolarHBondContact O-CB 3.19Å; E381-A385 PolarHBondContact O-N 3.38Å
382	M	98	Very high	96.2	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-60.5	-45.5	174.5	-74.9	-172.9	-72.1	0	0	112	V278 V280 L360 G366 H368 G378 I379 A384 A385 G386 A387 V389	V278-M382 HydrophobicContact CG2-CG 4.36Å; V278-M382 HydrophobicContact CG2-SD 3.95Å; V280-M382 HydrophobicContact CG2-CG 4.48Å; V280-M382 HydrophobicContact CG2-SD 4.43Å; L360-M382 HydrophobicContact CD2-CG 3.72Å; G366-M382 WeakPolarHBondContact CA-SD 3.42Å; H368-M382 HydrophobicContact CB-CE 4.33Å; G378-M382 WeakPolarHBondContact O-CB 3.34Å; G378-M382 VanDerWaalsContact O-CG 3.31Å; G378-M382 WeakPolarHBondContact O-CG 3.45Å; G378-M382 PolarHBondContact O-N 2.88Å; I379-M382 HydrophobicContact CG1-CE 4.45Å; I379-M382 PolarHBondContact O-N 3.48Å; M382-A384 PolarHBondContact O-N 3.08Å; M382-A385 PolarHBondContact O-N 3.37Å; M382-G386 PolarHBondContact O-N 2.97Å; M382-A387 HydrophobicContact CB-CB 4.31Å; M382-A387 PolarHBondContact O-N 3Å; M382-V389 HydrophobicContact CB-CG1 3.64Å; M382-V389 HydrophobicContact CE-CG1 4.39Å
383	M	98.1	Very high	96.5	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-61.7	-43.3	176.4	-72.4	171.8	68.4	0	0	111.8	I379 V380 G386 V389 I401 V410 A442 T446	I379-M383 HydrophobicContact CG2-SD 4.19Å; I379-M383 WeakPolarHBondContact O-CB 3.49Å; I379-M383 VanDerWaalsContact O-CG 3.27Å; I379-M383 WeakPolarHBondContact O-CG 3.49Å; I379-M383 PolarHBondContact O-N 2.84Å; V380-M383 PolarHBondContact O-N 3.32Å; M383-G386 PolarHBondContact O-N 2.93Å; M383-G386 VanDerWaalsContact O-N 3.07Å; M383-V389 HydrophobicContact CG-CB 4.36Å; M383-V389 HydrophobicContact CG-CG1 3.78Å; M383-V389 HydrophobicContact CG-CG2 3.61Å; M383-V389 HydrophobicContact SD-CG2 3.94Å; M383-I401 HydrophobicContact CE-CG2 4.45Å; M383-I401 HydrophobicContact SD-CG2 3.43Å; M383-I401 WeakPolarHBondContact SD-CG2 3.28Å; M383-V410 HydrophobicContact CE-CB 3.97Å; M383-V410 HydrophobicContact CE-CG2 4.09Å; M383-A442 HydrophobicContact CB-CB 4.28Å; M383-A442 HydrophobicContact CE-CB 3.78Å; M383-A442 WeakPolarHBondContact CE-O 3.45Å; M383-A442 HydrophobicContact CG-CB 4.32Å; M383-T446 HydrophobicContact CB-CG2 3.63Å; M383-T446 HydrophobicContact CE-CG2 4.33Å
384	A	97.6	Very high	96.6	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-66.1	-37.7	178.2	0	0	0	0	0	112	F259 F262 V380 E381 M382 G386 R443 T446	F259-A384 HydrophobicContact CB-CB 3.47Å; F259-A384 VanDerWaalsContact CB-CB 3.47Å; F259-A384 HydrophobicContact CD2-CB 3.95Å; F259-A384 HydrophobicContact CG-CB 3.76Å; F262-A384 HydrophobicContact CB-CB 4.09Å; V380-A384 WeakPolarHBondContact O-CB 3.37Å; V380-A384 PolarHBondContact O-N 3.18Å; E381-A384 PolarHBondContact O-N 3.45Å; M382-A384 PolarHBondContact O-N 3.08Å; A384-G386 PolarHBondContact O-N 3.03Å; A384-R443 VanDerWaalsContact O-CZ 3.25Å; A384-R443 PolarHBondContact O-NE 3.46Å; A384-R443 PolarHBondContact O-NH2 3.38Å; A384-T446 HydrophobicContact CB-CG2 4.34Å
385	A	97	Very high	96.8	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-67.9	-10.8	173	0	0	0	0	0	113.6	F262 L265 R269 L360 E381 M382	F262-A385 HydrophobicContact CB-CB 4.18Å; F262-A385 HydrophobicContact CD1-CB 4.36Å; L265-A385 HydrophobicContact CD1-CB 3.9Å; R269-A385 PolarHBondContact NH2-O 3.34Å; L360-A385 HydrophobicContact CB-CB 3.64Å; L360-A385 HydrophobicContact CD1-CB 4.39Å; E381-A385 WeakPolarHBondContact O-CB 3.19Å; E381-A385 PolarHBondContact O-N 3.38Å; M382-A385 PolarHBondContact O-N 3.37Å
386	G	96.6	Very high	96.9	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.5	13.1	178.8	0	0	0	0	0	114.1	L267 R269 M382 M383 A384 Q439	L267-G386 VanDerWaalsContact CD2-CA 3.5Å; R269-G386 VanDerWaalsContact NH2-C 3.34Å; R269-G386 PolarHBondContact NH2-O 3.34Å; M382-G386 PolarHBondContact O-N 2.97Å; M383-G386 PolarHBondContact O-N 2.93Å; M383-G386 VanDerWaalsContact O-N 3.07Å; A384-G386 PolarHBondContact O-N 3.03Å; G386-Q439 VanDerWaalsContact O-CG 3.28Å; G386-Q439 WeakPolarHBondContact O-CG 3.49Å; G386-Q439 PolarHBondContact O-NE2 2.7Å
387	A	97.2	Very high	97.1	Very high	1 Å²	1	8.1 Å²	8.1	1%	0.008	5%	0.047	C	C	.	.			trans	-76.5	134.4	169.3	0	0	0	0	0	109.7	A363 M382 V389	A363-A387 HydrophobicContact CB-CB 4.23Å; M382-A387 HydrophobicContact CB-CB 4.31Å; M382-A387 PolarHBondContact O-N 3Å; A387-V389 PolarHBondContact O-N 3.33Å
388	I	98.2	Very high	97.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	115	172.3	-58.7	178.5	0	0	0	108.1	I364 A365 G366 F412 I427 L430 R435 I438 Q439	I364-I388 PolarHBondContact O-N 3.01Å; A365-I388 CarbonylContact C-O 3.58Å; A365-I388 WeakPolarHBondContact CA-O 2.91Å; G366-I388 PolarHBondContact N-O 3.23Å; I388-F412 HydrophobicContact CG2-CD2 4.1Å; I388-F412 HydrophobicContact CG2-CE2 3.91Å; I388-I427 HydrophobicContact CB-CD1 4.09Å; I388-I427 HydrophobicContact CB-CG1 4.25Å; I388-I427 HydrophobicContact CB-CG2 4.13Å; I388-I427 HydrophobicContact CD1-CG2 4.26Å; I388-I427 HydrophobicContact CG2-CD1 3.71Å; I388-I427 HydrophobicContact CG2-CG1 3.83Å; I388-L430 HydrophobicContact CD1-CD1 3.78Å; I388-R435 HydrophobicContact CD1-CB 4.41Å; I388-R435 HydrophobicContact CD1-CG 3.72Å; I388-I438 HydrophobicContact CB-CG2 4.48Å; I388-I438 HydrophobicContact CD1-CB 3.92Å; I388-I438 HydrophobicContact CD1-CD1 4.35Å; I388-I438 HydrophobicContact CD1-CG2 3.9Å; I388-I438 HydrophobicContact CG1-CB 4.39Å; I388-I438 HydrophobicContact CG1-CG2 3.93Å; I388-I438 HydrophobicContact CG2-CG2 3.81Å; I388-Q439 HydrophobicContact CD1-CG 4.29Å; I388-Q439 HydrophobicContact CG1-CG 3.87Å
389	V	98.7	Very high	97.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	139.4	-173	-63.8	0	0	0	0	112.4	G366 I379 M382 M383 A387 V402 G411 F412	G366-V389 CarbonylContact O-C 3.54Å; G366-V389 WeakPolarHBondContact O-CA 3.08Å; I379-V389 HydrophobicContact CG2-CB 4.17Å; I379-V389 HydrophobicContact CG2-CG1 4.15Å; I379-V389 HydrophobicContact CG2-CG2 3.92Å; M382-V389 HydrophobicContact CB-CG1 3.64Å; M382-V389 HydrophobicContact CE-CG1 4.39Å; M383-V389 HydrophobicContact CG-CB 4.36Å; M383-V389 HydrophobicContact CG-CG1 3.78Å; M383-V389 HydrophobicContact CG-CG2 3.61Å; M383-V389 HydrophobicContact SD-CG2 3.94Å; A387-V389 PolarHBondContact O-N 3.33Å; V389-V402 HydrophobicContact CG2-CG2 3.76Å; V389-G411 CarbonylContact O-C 3.12Å; V389-G411 VanDerWaalsContact O-CA 3.31Å; V389-G411 WeakPolarHBondContact O-CA 3.33Å; V389-F412 PolarHBondContact O-N 3.28Å
390	V	98.9	Very high	97.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	109.4	160.3	-168.8	0	0	0	0	107.2	G366 H368 F412 A414 Y420 A423 L424 I427	G366-V390 PolarHBondContact O-N 2.93Å; H368-V390 PolarHBondContact N-O 3.19Å; V390-F412 WeakPolarHBondContact CA-O 3.35Å; V390-F412 HydrophobicContact CG1-CB 4.37Å; V390-F412 HydrophobicContact CG2-CB 4.33Å; V390-A414 HydrophobicContact CG1-CB 3.88Å; V390-Y420 HydrophobicContact CB-CD1 4.1Å; V390-Y420 HydrophobicContact CB-CE1 4.29Å; V390-Y420 HydrophobicContact CG1-CD1 3.43Å; V390-Y420 VanDerWaalsContact CG1-CD1 3.43Å; V390-Y420 HydrophobicContact CG1-CE1 3.71Å; V390-Y420 HydrophobicContact CG1-CG 4.38Å; V390-A423 HydrophobicContact CG1-CB 3.74Å; V390-A423 HydrophobicContact CG2-CB 3.88Å; V390-L424 HydrophobicContact CB-CD2 4.48Å; V390-L424 HydrophobicContact CG2-CD2 3.8Å; V390-L424 HydrophobicContact CG2-CG 4.09Å; V390-I427 HydrophobicContact CG2-CD1 3.48Å; V390-I427 VanDerWaalsContact CG2-CD1 3.48Å
391	A	98.7	Very high	97.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	160.6	-177.1	0	0	0	0	0	111.8	H368 I379 N393 P397 V402 F412 L413 A414	H368-A391 HydrophobicContact CB-CB 4.41Å; H368-A391 CarbonylContact O-C 3.53Å; H368-A391 WeakPolarHBondContact O-CA 3.33Å; I379-A391 HydrophobicContact CD1-CB 3.97Å; A391-N393 PolarHBondContact O-N 3.41Å; A391-P397 HydrophobicContact CB-CB 3.91Å; A391-V402 HydrophobicContact CB-CG2 3.86Å; A391-F412 PolarHBondContact N-O 3.41Å; A391-L413 HydrophobicContact CB-CD2 4.26Å; A391-L413 CarbonylContact O-C 3.49Å; A391-L413 VanDerWaalsContact O-CA 3.26Å; A391-L413 WeakPolarHBondContact O-CA 3.39Å; A391-A414 PolarHBondContact O-N 3.21Å
392	H	98.5	Very high	97.7	Very high	14 Å²	14	13.2 Å²	13.2	7%	0.065	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	136.1	177.7	-164.1	-71.2	0	0	0	111.3	H368 T369 M370 W371 S394 A414 Y420	H368-H392 PolarHBondContact O-N 2.98Å; T369-H392 PolarHBondContact O-CD2 3.41Å; M370-H392 WeakPolarHBondContact O-CB 3.35Å; W371-H392 AromaticContact CD1-CE1 3.43Å; W371-H392 VanDerWaalsContact CD1-CE1 3.43Å; W371-H392 AromaticContact CD1-NE2 3.82Å; H392-S394 PolarHBondContact ND1-OG 2.81Å; H392-S394 PolarHBondContact O-N 3.09Å; H392-A414 CarbonylContact C-O 3.47Å; H392-A414 VanDerWaalsContact CA-O 3.26Å; H392-A414 WeakPolarHBondContact CA-O 3.27Å; H392-Y420 WeakPolarHBondContact CA-OH 3.48Å; H392-Y420 WeakPolarHBondContact CB-OH 3.36Å; H392-Y420 PolarHBondContact N-OH 3.37Å
393	N	98.2	Very high	97.6	Very high	53 Å²	53	18.3 Å²	18.3	28%	0.283	9%	0.086	S	C	.	.	S	Bend	trans	-74.6	47.9	-178.5	-168.3	8.2	0	0	0	113.2	A391 K398 L413 A414 S415	A391-N393 PolarHBondContact O-N 3.41Å; N393-K398 VanDerWaalsContact OD1-CD 3.25Å; N393-K398 WeakPolarHBondContact OD1-CD 3.47Å; N393-K398 WeakPolarHBondContact OD1-CE 3.31Å; N393-K398 PolarHBondContact OD1-NZ 2.79Å; N393-L413 HydrophobicContact CB-CB 3.96Å; N393-A414 PolarHBondContact N-O 3.49Å; N393-S415 WeakPolarHBondContact CB-OG 3.42Å
394	S	96.4	Very high	97.5	Very high	12 Å²	12	23 Å²	23	8%	0.084	12%	0.116	C	C	.	.	S	Bend	trans	-155.6	171.2	-179.2	66.1	0	0	0	0	111.3	N372 H392 P397 K398	N372-S394 PolarHBondContact N-OG 3.03Å; N372-S394 WeakPolarHBondContact OD1-CB 3.39Å; H392-S394 PolarHBondContact ND1-OG 2.81Å; H392-S394 PolarHBondContact O-N 3.09Å; S394-P397 WeakPolarHBondContact O-CD 3.31Å; S394-K398 PolarHBondContact O-N 2.75Å
395	G	95.5	Very high	97.4	Very high	4 Å²	4	25.4 Å²	25.4	4%	0.041	13%	0.125	C	C	.	.	H	α-helix	trans	64.8	-159	170	0	0	0	0	0	115.3	E373 P397 K398 M399	E373-G395 CarbonylContact O-C 3.57Å; E373-G395 WeakPolarHBondContact O-CA 3.32Å; G395-P397 VanDerWaalsContact C-CD 3.46Å; G395-K398 PolarHBondContact O-N 3.12Å; G395-M399 VanDerWaalsContact O-CG 3.29Å; G395-M399 WeakPolarHBondContact O-CG 3.48Å; G395-M399 PolarHBondContact O-N 2.93Å; G395-M399 VanDerWaalsContact O-N 3.08Å
396	G	96.9	Very high	97.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-56.5	-38.8	172.5	0	0	0	0	0	114.4	E373 H374 K398 M399 D400 I401	E373-G396 PolarHBondContact O-N 2.81Å; H374-G396 WeakPolarHBondContact O-CA 3.27Å; H374-G396 PolarHBondContact O-N 2.63Å; G396-K398 VanDerWaalsContact C-N 3.31Å; G396-K398 PolarHBondContact O-N 2.79Å; G396-M399 PolarHBondContact O-N 2.82Å; G396-D400 WeakPolarHBondContact O-CB 3.39Å; G396-D400 PolarHBondContact O-N 3.25Å; G396-I401 PolarHBondContact O-N 3.06Å
397	P	98.1	Very high	97.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.	I	π-helix	trans	-54.8	-45.6	176.5	-29.1	35.5	0	0	0	113	E373 F375 I379 A391 S394 G395 I401 V402	E373-P397 HydrophobicContact CB-CG 3.78Å; E373-P397 HydrophobicContact CG-CG 4.09Å; E373-P397 VanDerWaalsContact O-CD 3.23Å; E373-P397 WeakPolarHBondContact O-CD 3.38Å; F375-P397 VanDerWaalsContact O-CD 3.31Å; F375-P397 WeakPolarHBondContact O-CD 3.21Å; I379-P397 HydrophobicContact CD1-CB 3.67Å; I379-P397 HydrophobicContact CD1-CG 3.49Å; I379-P397 VanDerWaalsContact CD1-CG 3.49Å; A391-P397 HydrophobicContact CB-CB 3.91Å; S394-P397 WeakPolarHBondContact O-CD 3.31Å; G395-P397 VanDerWaalsContact C-CD 3.46Å; P397-I401 PolarHBondContact O-N 2.81Å; P397-V402 PolarHBondContact O-N 2.93Å
398	K	98	Very high	97.2	Very high	95 Å²	95	42.2 Å²	42.2	41%	0.413	21%	0.213	S	C	.	.	I	π-helix	trans	-71.5	-45.5	176.4	174.8	178.8	-168.7	154.1	0	113.3	N393 S394 G395 G396 L413	N393-K398 VanDerWaalsContact OD1-CD 3.25Å; N393-K398 WeakPolarHBondContact OD1-CD 3.47Å; N393-K398 WeakPolarHBondContact OD1-CE 3.31Å; N393-K398 PolarHBondContact OD1-NZ 2.79Å; S394-K398 PolarHBondContact O-N 2.75Å; G395-K398 PolarHBondContact O-N 3.12Å; G396-K398 VanDerWaalsContact C-N 3.31Å; G396-K398 PolarHBondContact O-N 2.79Å; K398-L413 HydrophobicContact CB-CD1 4.05Å; K398-L413 HydrophobicContact CB-CD2 4.41Å; K398-L413 HydrophobicContact CG-CD1 3.85Å
399	M	97.4	Very high	97.2	Very high	90 Å²	90	45.2 Å²	45.2	44%	0.443	23%	0.231	S	C	.	.	I	π-helix	trans	-81	-31	-167.7	-63.4	-176.2	86.8	0	0	113	W235 G395 G396 R403	W235-M399 HydrophobicContact CB-SD 3.85Å; G395-M399 VanDerWaalsContact O-CG 3.29Å; G395-M399 WeakPolarHBondContact O-CG 3.48Å; G395-M399 PolarHBondContact O-N 2.93Å; G395-M399 VanDerWaalsContact O-N 3.08Å; G396-M399 PolarHBondContact O-N 2.82Å; M399-R403 WeakPolarHBondContact O-CD 3.16Å; M399-R403 PolarHBondContact O-NH1 3.05Å
400	D	97.9	Very high	97.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.231	C	C	.	.	I	π-helix	trans	-122.2	-41.5	-165.6	-60.9	-59.3	0	0	0	113.3	S233 S234 F254 G396 R448	S233-D400 WeakPolarHBondContact CB-OD2 3.44Å; S234-D400 WeakPolarHBondContact CB-OD1 3.43Å; S234-D400 PolarHBondContact N-OD1 3.13Å; S234-D400 PolarHBondContact N-OD2 3.12Å; S234-D400 PolarHBondContact OG-OD1 2.95Å; F254-D400 HydrophobicContact CE1-CB 3.69Å; F254-D400 WeakPolarHBondContact CE1-OD1 3.44Å; F254-D400 HydrophobicContact CZ-CB 4.09Å; G396-D400 WeakPolarHBondContact O-CB 3.39Å; G396-D400 PolarHBondContact O-N 3.25Å; D400-R448 PolarHBondContact O-NH1 3.2Å; D400-R448 PolarHBondContact O-NH2 2.91Å
401	I	98.2	Very high	97.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.236	C	C	.	.	I	π-helix	trans	-94.7	-69.5	-169	-55.6	179.7	0	0	0	111.8	F375 G376 I379 V380 M383 G396 P397 R403 F449	F375-I401 HydrophobicContact CD1-CD1 4.35Å; F375-I401 HydrophobicContact CD2-CD1 4.39Å; F375-I401 HydrophobicContact CE1-CD1 4.21Å; F375-I401 HydrophobicContact CE2-CD1 4.22Å; F375-I401 HydrophobicContact CE2-CG1 4.09Å; F375-I401 HydrophobicContact CG-CD1 4.45Å; F375-I401 HydrophobicContact CZ-CD1 4.13Å; F375-I401 HydrophobicContact CZ-CG1 4.24Å; F375-I401 WeakPolarHBondContact O-CD1 3.39Å; G376-I401 WeakPolarHBondContact O-CD1 3.38Å; I379-I401 HydrophobicContact CB-CD1 4.31Å; I379-I401 HydrophobicContact CB-CG2 4.33Å; I379-I401 HydrophobicContact CG2-CG2 3.76Å; V380-I401 HydrophobicContact CG2-CD1 3.86Å; V380-I401 HydrophobicContact CG2-CG1 4.32Å; V380-I401 HydrophobicContact CG2-CG2 4.32Å; M383-I401 HydrophobicContact CE-CG2 4.45Å; M383-I401 HydrophobicContact SD-CG2 3.43Å; M383-I401 WeakPolarHBondContact SD-CG2 3.28Å; G396-I401 PolarHBondContact O-N 3.06Å; P397-I401 PolarHBondContact O-N 2.81Å; I401-R403 VanDerWaalsContact C-N 3.28Å; I401-R403 PolarHBondContact O-N 2.63Å; I401-R403 VanDerWaalsContact O-N 3.07Å; I401-F449 HydrophobicContact CG1-CE2 4.32Å; I401-F449 HydrophobicContact CG1-CZ 4.12Å
402	V	98.3	Very high	97.1	Very high	9 Å²	9	47.4 Å²	47.4	6%	0.055	24%	0.243	C	C	.	.	S	Bend	trans	-90.4	66.6	-173.7	-167.7	0	0	0	0	109.7	I379 V389 A391 P397 V410 L413	I379-V402 HydrophobicContact CG2-CG2 4.03Å; V389-V402 HydrophobicContact CG2-CG2 3.76Å; A391-V402 HydrophobicContact CB-CG2 3.86Å; P397-V402 PolarHBondContact O-N 2.93Å; V402-V410 HydrophobicContact CG1-CG2 4.4Å; V402-L413 HydrophobicContact CB-CD2 3.87Å; V402-L413 HydrophobicContact CB-CG 4.39Å; V402-L413 HydrophobicContact CG1-CD2 4.12Å; V402-L413 HydrophobicContact CG1-CG 4.23Å
403	R	96.2	Very high	97.1	Very high	107 Å²	107	49.3 Å²	49.3	40%	0.404	25%	0.254	S	S	.	.	S	Bend	trans	-127.9	154.8	175.3	70.6	-177.5	-147.4	-177.3	6.6	109.5	M399 I401 Y405 V410	M399-R403 WeakPolarHBondContact O-CD 3.16Å; M399-R403 PolarHBondContact O-NH1 3.05Å; I401-R403 VanDerWaalsContact C-N 3.28Å; I401-R403 PolarHBondContact O-N 2.63Å; I401-R403 VanDerWaalsContact O-N 3.07Å; R403-Y405 PolarHBondContact O-N 3.4Å; R403-V410 WeakPolarHBondContact O-CG2 3.48Å
404	P	96.1	Very high	97.2	Very high	99 Å²	99	46.8 Å²	46.8	64%	0.643	24%	0.24	S	C	*	.			trans	-50	134.1	175.2	-27	35	0	0	0	111.6	Q408	P404-Q408 WeakPolarHBondContact CA-O 3.01Å
405	Y	95.4	Very high	97.2	Very high	49 Å²	49	48.5 Å²	48.5	19%	0.192	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-128	120.5	178.5	-176.4	-101	0	0	0	108.4	R403 D407 Q408 K444 R448	R403-Y405 PolarHBondContact O-N 3.4Å; Y405-D407 PolarHBondContact O-N 3.21Å; Y405-Q408 PolarHBondContact N-O 3.28Å; Y405-Q408 WeakPolarHBondContact O-CB 3.31Å; Y405-Q408 PolarHBondContact O-N 2.78Å; Y405-K444 HydrophobicContact CE1-CB 4.3Å; Y405-K444 HydrophobicContact CE1-CG 3.85Å; Y405-R448 HydrophobicContact CE2-CG 4.22Å
406	N	94.1	Very high	97.4	Very high	115 Å²	115	49.9 Å²	49.9	62%	0.615	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	45.4	-168.9	-59.9	-13	0	0	0	112.1	Q408	N406-Q408 PolarHBondContact O-N 3.35Å
407	D	94.7	Very high	97.5	Very high	167 Å²	167	51.2 Å²	51.2	89%	0.893	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	11.3	-177.3	-51.4	-51.2	0	0	0	115.4	Y405	Y405-D407 PolarHBondContact O-N 3.21Å
408	Q	97	Very high	97.5	Very high	73 Å²	73	54.9 Å²	54.9	34%	0.341	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-101.1	145.3	176.9	-62.8	-176.2	-41.9	0	0	111.9	P404 Y405 N406 A441	P404-Q408 WeakPolarHBondContact CA-O 3.01Å; Y405-Q408 PolarHBondContact N-O 3.28Å; Y405-Q408 WeakPolarHBondContact O-CB 3.31Å; Y405-Q408 PolarHBondContact O-N 2.78Å; N406-Q408 PolarHBondContact O-N 3.35Å; Q408-A441 HydrophobicContact CB-CB 3.63Å; Q408-A441 HydrophobicContact CG-CB 4.47Å
409	V	97.7	Very high	97.5	Very high	62 Å²	62	54.5 Å²	54.5	38%	0.376	29%	0.287	S	S	.	.			trans	-71.5	130.4	171.3	177.6	0	0	0	0	109	G411 F412	V409-G411 VanDerWaalsContact CG1-O 3.31Å; V409-G411 WeakPolarHBondContact CG1-O 3.28Å; V409-F412 HydrophobicContact CG1-CE1 4.29Å; V409-F412 HydrophobicContact CG1-CZ 4.35Å
410	V	98.1	Very high	97.6	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.012	27%	0.266	C	S	.	.			trans	-111	-2.9	-179.7	-58.7	0	0	0	0	113.3	M383 V402 R403 A441 A442	M383-V410 HydrophobicContact CE-CB 3.97Å; M383-V410 HydrophobicContact CE-CG2 4.09Å; V402-V410 HydrophobicContact CG1-CG2 4.4Å; R403-V410 WeakPolarHBondContact O-CG2 3.48Å; V410-A441 HydrophobicContact CG1-CB 4.18Å; V410-A442 HydrophobicContact CB-CB 4.07Å; V410-A442 VanDerWaalsContact O-CB 3.3Å; V410-A442 WeakPolarHBondContact O-CB 2.9Å
411	G	98.4	Very high	97.6	Very high	10 Å²	10	50.2 Å²	50.2	10%	0.103	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.2	-171.6	-172.6	0	0	0	0	0	110.4	V389 V409	V389-G411 CarbonylContact O-C 3.12Å; V389-G411 VanDerWaalsContact O-CA 3.31Å; V389-G411 WeakPolarHBondContact O-CA 3.33Å; V409-G411 VanDerWaalsContact CG1-O 3.31Å; V409-G411 WeakPolarHBondContact CG1-O 3.28Å
412	F	98.7	Very high	97.6	Very high	34 Å²	34	54.5 Å²	54.5	15%	0.149	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	156.9	-177	-57.2	-83.8	0	0	0	111.4	I388 V389 V390 A391 V409 A423 K426 I427 I438	I388-F412 HydrophobicContact CG2-CD2 4.1Å; I388-F412 HydrophobicContact CG2-CE2 3.91Å; V389-F412 PolarHBondContact O-N 3.28Å; V390-F412 WeakPolarHBondContact CA-O 3.35Å; V390-F412 HydrophobicContact CG1-CB 4.37Å; V390-F412 HydrophobicContact CG2-CB 4.33Å; A391-F412 PolarHBondContact N-O 3.41Å; V409-F412 HydrophobicContact CG1-CE1 4.29Å; V409-F412 HydrophobicContact CG1-CZ 4.35Å; F412-A423 HydrophobicContact CB-CB 3.92Å; F412-A423 HydrophobicContact CG-CB 4.33Å; F412-K426 HydrophobicContact CE1-CD 3.99Å; F412-K426 HydrophobicContact CZ-CD 4.05Å; F412-I427 HydrophobicContact CD2-CD1 3.89Å; F412-I427 HydrophobicContact CD2-CG1 3.92Å; F412-I427 HydrophobicContact CE2-CD1 4.16Å; F412-I427 HydrophobicContact CE2-CG1 3.67Å; F412-I438 HydrophobicContact CE2-CD1 4.45Å; F412-I438 HydrophobicContact CZ-CD1 4.22Å
413	L	98.7	Very high	97.6	Very high	54 Å²	54	54.6 Å²	54.6	28%	0.283	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	140.8	176.2	-67.4	174.6	0	0	0	109.4	A391 N393 K398 V402	A391-L413 HydrophobicContact CB-CD2 4.26Å; A391-L413 CarbonylContact O-C 3.49Å; A391-L413 VanDerWaalsContact O-CA 3.26Å; A391-L413 WeakPolarHBondContact O-CA 3.39Å; N393-L413 HydrophobicContact CB-CB 3.96Å; K398-L413 HydrophobicContact CB-CD1 4.05Å; K398-L413 HydrophobicContact CB-CD2 4.41Å; K398-L413 HydrophobicContact CG-CD1 3.85Å; V402-L413 HydrophobicContact CB-CD2 3.87Å; V402-L413 HydrophobicContact CB-CG 4.39Å; V402-L413 HydrophobicContact CG1-CD2 4.12Å; V402-L413 HydrophobicContact CG1-CG 4.23Å
414	A	98.6	Very high	97.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	160.4	179	0	0	0	0	0	111.3	V390 A391 H392 N393 E419 Y420	V390-A414 HydrophobicContact CG1-CB 3.88Å; A391-A414 PolarHBondContact O-N 3.21Å; H392-A414 CarbonylContact C-O 3.47Å; H392-A414 VanDerWaalsContact CA-O 3.26Å; H392-A414 WeakPolarHBondContact CA-O 3.27Å; N393-A414 PolarHBondContact N-O 3.49Å; A414-E419 WeakPolarHBondContact CA-OE2 3.45Å; A414-E419 HydrophobicContact CB-CB 3.65Å; A414-Y420 HydrophobicContact CB-CD1 3.75Å; A414-Y420 HydrophobicContact CB-CD2 3.54Å; A414-Y420 HydrophobicContact CB-CE1 3.95Å; A414-Y420 HydrophobicContact CB-CE2 3.71Å; A414-Y420 HydrophobicContact CB-CG 3.53Å
415	S	98	Very high	97.8	Very high	49 Å²	49	50 Å²	50	34%	0.343	26%	0.26	S	S	.	.	S	Bend	trans	-137	-14.8	-174.6	-24.9	0	0	0	0	113.1	N393 E419	N393-S415 WeakPolarHBondContact CB-OG 3.42Å; S415-E419 WeakPolarHBondContact CB-OE2 3.3Å; S415-E419 PolarHBondContact N-OE2 3Å; S415-E419 PolarHBondContact OG-OE2 3.07Å
416	S	98.4	Very high	97.9	Very high	33 Å²	33	53.2 Å²	53.2	23%	0.231	28%	0.276	C	S	.	.	S	Bend	trans	-134.5	160.9	179.2	84.7	0	0	0	0	111.2	E418 E419 Y420	S416-E418 WeakPolarHBondContact CB-OE2 3.19Å; S416-E418 PolarHBondContact O-N 3.32Å; S416-E418 VanDerWaalsContact O-N 3.16Å; S416-E418 PolarHBondContact OG-N 3.49Å; S416-E418 PolarHBondContact OG-OE2 3.46Å; S416-E419 PolarHBondContact O-N 2.82Å; S416-E419 VanDerWaalsContact O-N 3.12Å; S416-E419 PolarHBondContact OG-N 2.93Å; S416-Y420 VanDerWaalsContact O-CD2 3.28Å; S416-Y420 WeakPolarHBondContact O-CD2 3.4Å; S416-Y420 PolarHBondContact O-N 2.99Å
417	P	98.7	Very high	98	Very high	27 Å²	27	47.8 Å²	47.8	18%	0.175	25%	0.246	C	C	.	.	H	α-helix	trans	-50.7	-37.7	175.4	-27	34.8	0	0	0	113.8	L291 R294 A421	L291-P417 HydrophobicContact CD1-CG 3.74Å; R294-P417 HydrophobicContact CB-CB 4.28Å; R294-P417 HydrophobicContact CB-CG 4.06Å; P417-A421 WeakPolarHBondContact O-CB 3.31Å; P417-A421 PolarHBondContact O-N 3.19Å
418	E	98.7	Very high	98	Very high	77 Å²	77	40.4 Å²	40.4	36%	0.36	21%	0.207	S	C	.	.	H	α-helix	trans	-62.1	-54	176.1	-63.1	65.4	-147.5	0	0	111.6	R298 S416 Y420 A421 D422	R298-E418 IonicContact CZ-OE1 3.76Å; R298-E418 VanDerWaalsContact NH1-CG 3.31Å; R298-E418 IonicContact NH1-OE1 3.64Å; R298-E418 PolarHBondContact NH1-OE1 2.81Å; R298-E418 IonicContact NH2-OE1 2.93Å; R298-E418 PolarHBondContact NH2-OE1 2.8Å; S416-E418 WeakPolarHBondContact CB-OE2 3.19Å; S416-E418 PolarHBondContact O-N 3.32Å; S416-E418 VanDerWaalsContact O-N 3.16Å; S416-E418 PolarHBondContact OG-N 3.49Å; S416-E418 PolarHBondContact OG-OE2 3.46Å; E418-Y420 VanDerWaalsContact C-N 3.3Å; E418-Y420 PolarHBondContact O-N 2.91Å; E418-A421 PolarHBondContact O-N 3.32Å; E418-D422 WeakPolarHBondContact O-CB 3.48Å; E418-D422 PolarHBondContact O-N 3.34Å
419	E	98.7	Very high	97.9	Very high	87 Å²	87	41.6 Å²	41.6	41%	0.407	22%	0.215	S	C	.	.	H	α-helix	trans	-61.9	-39.5	-178.9	-69.5	-177.9	175.9	0	0	111.6	A414 S415 S416 A423	A414-E419 WeakPolarHBondContact CA-OE2 3.45Å; A414-E419 HydrophobicContact CB-CB 3.65Å; S415-E419 WeakPolarHBondContact CB-OE2 3.3Å; S415-E419 PolarHBondContact N-OE2 3Å; S415-E419 PolarHBondContact OG-OE2 3.07Å; S416-E419 PolarHBondContact O-N 2.82Å; S416-E419 VanDerWaalsContact O-N 3.12Å; S416-E419 PolarHBondContact OG-N 2.93Å; E419-A423 WeakPolarHBondContact O-CB 3.43Å; E419-A423 PolarHBondContact O-N 3.45Å
420	Y	98.8	Very high	97.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.7	-47.1	175.7	-85.6	-78.6	0	0	0	111.3	L291 S295 I367 H368 T369 V390 H392 A414 S416 E418 D422 A423 L424	L291-Y420 HydrophobicContact CD1-CD2 4.44Å; L291-Y420 HydrophobicContact CD2-CD2 4.49Å; L291-Y420 HydrophobicContact CD2-CE2 3.88Å; L291-Y420 HydrophobicContact CG-CD2 4.4Å; L291-Y420 HydrophobicContact CG-CE2 4.2Å; S295-Y420 VanDerWaalsContact CB-CB 3.49Å; S295-Y420 VanDerWaalsContact OG-CB 3.31Å; S295-Y420 WeakPolarHBondContact OG-CB 3.49Å; I367-Y420 HydrophobicContact CD1-CD1 3.84Å; I367-Y420 HydrophobicContact CD1-CE1 4.3Å; I367-Y420 HydrophobicContact CD1-CG 4.43Å; I367-Y420 HydrophobicContact CG1-CD1 3.81Å; I367-Y420 HydrophobicContact CG1-CE1 3.87Å; H368-Y420 PolarHBondContact O-OH 3.32Å; T369-Y420 WeakPolarHBondContact CA-OH 3.42Å; T369-Y420 HydrophobicContact CG2-CE1 4.06Å; T369-Y420 HydrophobicContact CG2-CE2 4.13Å; V390-Y420 HydrophobicContact CB-CD1 4.1Å; V390-Y420 HydrophobicContact CB-CE1 4.29Å; V390-Y420 HydrophobicContact CG1-CD1 3.43Å; V390-Y420 VanDerWaalsContact CG1-CD1 3.43Å; V390-Y420 HydrophobicContact CG1-CE1 3.71Å; V390-Y420 HydrophobicContact CG1-CG 4.38Å; H392-Y420 WeakPolarHBondContact CA-OH 3.48Å; H392-Y420 WeakPolarHBondContact CB-OH 3.36Å; H392-Y420 PolarHBondContact N-OH 3.37Å; A414-Y420 HydrophobicContact CB-CD1 3.75Å; A414-Y420 HydrophobicContact CB-CD2 3.54Å; A414-Y420 HydrophobicContact CB-CE1 3.95Å; A414-Y420 HydrophobicContact CB-CE2 3.71Å; A414-Y420 HydrophobicContact CB-CG 3.53Å; S416-Y420 VanDerWaalsContact O-CD2 3.28Å; S416-Y420 WeakPolarHBondContact O-CD2 3.4Å; S416-Y420 PolarHBondContact O-N 2.99Å; E418-Y420 VanDerWaalsContact C-N 3.3Å; E418-Y420 PolarHBondContact O-N 2.91Å; Y420-D422 VanDerWaalsContact C-N 3.33Å; Y420-D422 PolarHBondContact O-N 3.27Å; Y420-A423 PolarHBondContact O-N 2.82Å; Y420-L424 WeakPolarHBondContact O-CB 3.31Å; Y420-L424 WeakPolarHBondContact O-CD1 3.41Å; Y420-L424 WeakPolarHBondContact O-CG 3.18Å; Y420-L424 PolarHBondContact O-N 3.44Å
421	A	98.7	Very high	97.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60	-43.2	178.9	0	0	0	0	0	111.7	R298 L299 P417 E418 L424 R425	R298-A421 HydrophobicContact CB-CB 3.9Å; R298-A421 HydrophobicContact CG-CB 3.62Å; L299-A421 HydrophobicContact CB-CB 4.18Å; P417-A421 WeakPolarHBondContact O-CB 3.31Å; P417-A421 PolarHBondContact O-N 3.19Å; E418-A421 PolarHBondContact O-N 3.32Å; A421-L424 PolarHBondContact O-N 2.87Å; A421-R425 WeakPolarHBondContact O-CB 3.44Å; A421-R425 PolarHBondContact O-N 3.16Å
422	D	98.5	Very high	97.2	Very high	91 Å²	91	46.4 Å²	46.4	49%	0.487	24%	0.235	S	C	.	.	H	α-helix	trans	-66	-43.8	178.6	-73.6	-16.8	0	0	0	112.2	E418 Y420 R425 K426	E418-D422 WeakPolarHBondContact O-CB 3.48Å; E418-D422 PolarHBondContact O-N 3.34Å; Y420-D422 VanDerWaalsContact C-N 3.33Å; Y420-D422 PolarHBondContact O-N 3.27Å; D422-R425 PolarHBondContact O-N 2.94Å; D422-K426 WeakPolarHBondContact O-CB 3.4Å; D422-K426 PolarHBondContact O-N 3.05Å
423	A	98.6	Very high	97	Very high	11 Å²	11	48.9 Å²	48.9	9%	0.091	26%	0.256	C	S	.	.	H	α-helix	trans	-64.3	-43.9	176.4	0	0	0	0	0	112	V390 F412 E419 Y420 K426 I427	V390-A423 HydrophobicContact CG1-CB 3.74Å; V390-A423 HydrophobicContact CG2-CB 3.88Å; F412-A423 HydrophobicContact CB-CB 3.92Å; F412-A423 HydrophobicContact CG-CB 4.33Å; E419-A423 WeakPolarHBondContact O-CB 3.43Å; E419-A423 PolarHBondContact O-N 3.45Å; Y420-A423 PolarHBondContact O-N 2.82Å; A423-K426 WeakPolarHBondContact O-CB 3.4Å; A423-K426 PolarHBondContact O-N 3.19Å; A423-I427 WeakPolarHBondContact O-CG1 3.36Å; A423-I427 PolarHBondContact O-N 2.85Å
424	L	98.6	Very high	96.8	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-63.9	-47.8	176.5	-70.1	165.9	0	0	0	110.8	I277 L299 A365 I367 V390 Y420 A421 K426 I427 L428	I277-L424 HydrophobicContact CD1-CD1 4.37Å; I277-L424 HydrophobicContact CD1-CD2 4.13Å; I277-L424 HydrophobicContact CG1-CD2 4.43Å; I277-L424 HydrophobicContact CG2-CD2 4.07Å; L299-L424 HydrophobicContact CD1-CB 4.08Å; L299-L424 HydrophobicContact CD2-CB 3.87Å; L299-L424 HydrophobicContact CD2-CD1 4.15Å; A365-L424 HydrophobicContact CB-CD2 4.06Å; I367-L424 HydrophobicContact CD1-CD1 4.03Å; V390-L424 HydrophobicContact CB-CD2 4.48Å; V390-L424 HydrophobicContact CG2-CD2 3.8Å; V390-L424 HydrophobicContact CG2-CG 4.09Å; Y420-L424 WeakPolarHBondContact O-CB 3.31Å; Y420-L424 WeakPolarHBondContact O-CD1 3.41Å; Y420-L424 WeakPolarHBondContact O-CG 3.18Å; Y420-L424 PolarHBondContact O-N 3.44Å; A421-L424 PolarHBondContact O-N 2.87Å; L424-K426 VanDerWaalsContact C-N 3.27Å; L424-K426 PolarHBondContact O-N 3.47Å; L424-I427 WeakPolarHBondContact O-CA 3.25Å; L424-I427 WeakPolarHBondContact O-CB 3.33Å; L424-I427 PolarHBondContact O-N 3.34Å; L424-L428 WeakPolarHBondContact O-CG 3.35Å; L424-L428 PolarHBondContact O-N 3.19Å
425	R	97.5	Very high	96.7	Very high	108 Å²	108	51.4 Å²	51.4	41%	0.408	27%	0.266	S	S	.	.	H	α-helix	trans	-56.6	-42.6	176.2	-178.4	173.5	174.1	-100.2	-3.2	111.3	L299 N302 A421 D422 I427 L428 L429	L299-R425 HydrophobicContact CD1-CB 3.75Å; N302-R425 PolarHBondContact O-NE 2.64Å; A421-R425 WeakPolarHBondContact O-CB 3.44Å; A421-R425 PolarHBondContact O-N 3.16Å; D422-R425 PolarHBondContact O-N 2.94Å; R425-I427 VanDerWaalsContact C-N 3.33Å; R425-I427 PolarHBondContact O-N 3.2Å; R425-L428 PolarHBondContact O-N 3.23Å; R425-L429 HydrophobicContact CG-CD1 4Å; R425-L429 VanDerWaalsContact O-CG 3.31Å; R425-L429 WeakPolarHBondContact O-CG 3.33Å; R425-L429 PolarHBondContact O-N 3.13Å; R425-L429 VanDerWaalsContact O-N 3.16Å
426	K	97.3	Very high	96.5	Very high	117 Å²	117	51.6 Å²	51.6	51%	0.509	26%	0.262	S	S	.	.	H	α-helix	trans	-57.5	-46.2	173.8	-178.5	175.5	-179.4	171.9	0	111.4	F412 D422 A423 L424 L429 L430	F412-K426 HydrophobicContact CE1-CD 3.99Å; F412-K426 HydrophobicContact CZ-CD 4.05Å; D422-K426 WeakPolarHBondContact O-CB 3.4Å; D422-K426 PolarHBondContact O-N 3.05Å; A423-K426 WeakPolarHBondContact O-CB 3.4Å; A423-K426 PolarHBondContact O-N 3.19Å; L424-K426 VanDerWaalsContact C-N 3.27Å; L424-K426 PolarHBondContact O-N 3.47Å; K426-L429 PolarHBondContact O-N 2.93Å; K426-L430 WeakPolarHBondContact O-CG 3.31Å; K426-L430 PolarHBondContact O-N 3.36Å
427	I	96.7	Very high	96.4	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.4	-45.1	177.2	-65.3	162.3	0	0	0	111.4	A365 I388 V390 F412 A423 L424 R425 L429 L430	A365-I427 HydrophobicContact CB-CD1 4.14Å; A365-I427 HydrophobicContact CB-CG2 3.98Å; I388-I427 HydrophobicContact CB-CD1 4.09Å; I388-I427 HydrophobicContact CB-CG1 4.25Å; I388-I427 HydrophobicContact CB-CG2 4.13Å; I388-I427 HydrophobicContact CD1-CG2 4.26Å; I388-I427 HydrophobicContact CG2-CD1 3.71Å; I388-I427 HydrophobicContact CG2-CG1 3.83Å; V390-I427 HydrophobicContact CG2-CD1 3.48Å; V390-I427 VanDerWaalsContact CG2-CD1 3.48Å; F412-I427 HydrophobicContact CD2-CD1 3.89Å; F412-I427 HydrophobicContact CD2-CG1 3.92Å; F412-I427 HydrophobicContact CE2-CD1 4.16Å; F412-I427 HydrophobicContact CE2-CG1 3.67Å; A423-I427 WeakPolarHBondContact O-CG1 3.36Å; A423-I427 PolarHBondContact O-N 2.85Å; L424-I427 WeakPolarHBondContact O-CA 3.25Å; L424-I427 WeakPolarHBondContact O-CB 3.33Å; L424-I427 PolarHBondContact O-N 3.34Å; R425-I427 VanDerWaalsContact C-N 3.33Å; R425-I427 PolarHBondContact O-N 3.2Å; I427-L429 PolarHBondContact O-N 3.5Å; I427-L430 PolarHBondContact O-N 3.33Å
428	L	94.6	Very high	96.4	Very high	12 Å²	12	54.6 Å²	54.6	6%	0.063	27%	0.265	C	S	.	.	H	α-helix	trans	-58.4	-33.8	179.2	-60.3	-171.8	0	0	0	112.3	L275 L299 I303 V312 I364 L424 R425	L275-L428 HydrophobicContact CB-CD2 4.18Å; L275-L428 HydrophobicContact CD1-CD2 4.28Å; L299-L428 HydrophobicContact CD1-CD1 4.1Å; L299-L428 HydrophobicContact CD2-CD1 4.33Å; I303-L428 HydrophobicContact CD1-CD1 3.84Å; V312-L428 HydrophobicContact CG1-CD1 4.3Å; V312-L428 HydrophobicContact CG2-CD1 3.71Å; I364-L428 HydrophobicContact CD1-CD2 3.22Å; I364-L428 HydrophobicContact CG1-CD2 4.47Å; L424-L428 WeakPolarHBondContact O-CG 3.35Å; L424-L428 PolarHBondContact O-N 3.19Å; R425-L428 PolarHBondContact O-N 3.23Å
429	L	93.9	Very high	96.4	Very high	99 Å²	99	51.1 Å²	51.1	52%	0.518	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-2.8	-175.7	-63.1	175.3	0	0	0	114.1	L308 R425 K426 I427	L308-L429 HydrophobicContact CD2-CD2 4Å; R425-L429 HydrophobicContact CG-CD1 4Å; R425-L429 VanDerWaalsContact O-CG 3.31Å; R425-L429 WeakPolarHBondContact O-CG 3.33Å; R425-L429 PolarHBondContact O-N 3.13Å; R425-L429 VanDerWaalsContact O-N 3.16Å; K426-L429 PolarHBondContact O-N 2.93Å; I427-L429 PolarHBondContact O-N 3.5Å
430	L	94.5	Very high	96.3	Very high	18 Å²	18	51.6 Å²	51.6	9%	0.094	25%	0.253	C	S	.	.			trans	-63.7	137.6	176	-69.3	175.5	0	0	0	110.9	I388 K426 I427 E434 R435 I438	I388-L430 HydrophobicContact CD1-CD1 3.78Å; K426-L430 WeakPolarHBondContact O-CG 3.31Å; K426-L430 PolarHBondContact O-N 3.36Å; I427-L430 PolarHBondContact O-N 3.33Å; L430-E434 HydrophobicContact CB-CB 4.34Å; L430-E434 HydrophobicContact CD2-CB 4Å; L430-R435 HydrophobicContact CB-CB 4.28Å; L430-R435 PolarHBondContact O-NH2 3.29Å; L430-I438 HydrophobicContact CD1-CD1 3.78Å
431	S	93.2	Very high	96.3	Very high	48 Å²	48	51.7 Å²	51.7	34%	0.336	25%	0.254	S	S	.	.			trans	-61.5	158.4	165.7	65.8	0	0	0	0	111	S433 E434 R435	S431-S433 PolarHBondContact O-N 2.92Å; S431-S433 PolarHBondContact OG-OG 3.17Å; S431-E434 WeakPolarHBondContact CB-OE2 3.46Å; S431-E434 PolarHBondContact N-OE2 3.42Å; S431-E434 PolarHBondContact O-N 2.87Å; S431-E434 WeakPolarHBondContact OG-CB 3.38Å; S431-E434 VanDerWaalsContact OG-CD 3.28Å; S431-E434 WeakPolarHBondContact OG-CG 3.46Å; S431-E434 PolarHBondContact OG-N 3.02Å; S431-E434 PolarHBondContact OG-OE2 2.88Å; S431-R435 WeakPolarHBondContact O-CB 3.35Å; S431-R435 PolarHBondContact O-N 3.08Å
432	K	91.8	Very high	96.3	Very high	109 Å²	109	51.7 Å²	51.7	47%	0.474	26%	0.255	S	S	.	.	H	α-helix	trans	-55.3	-39.8	178.7	-68.1	-169.5	176.4	-163.9	0	112.3	D272 M436	D272-K432 WeakPolarHBondContact OD2-CE 3.36Å; D272-K432 IonicContact OD2-NZ 3.89Å; D272-K432 PolarHBondContact OD2-NZ 3.04Å; K432-M436 VanDerWaalsContact O-CB 3.27Å; K432-M436 WeakPolarHBondContact O-CB 3.26Å; K432-M436 PolarHBondContact O-N 2.89Å
433	S	94.1	Very high	96.2	Very high	86 Å²	86	49.3 Å²	49.3	60%	0.601	24%	0.239	S	C	*	.	H	α-helix	trans	-69.2	-43.1	179.4	56.6	0	0	0	0	112.6	S431 M436 R437	S431-S433 PolarHBondContact O-N 2.92Å; S431-S433 PolarHBondContact OG-OG 3.17Å; S433-M436 PolarHBondContact O-N 3.49Å; S433-R437 WeakPolarHBondContact O-CB 3.3Å; S433-R437 PolarHBondContact O-N 3.31Å
434	E	95.3	Very high	96.1	Very high	87 Å²	87	54.7 Å²	54.7	41%	0.407	26%	0.26	S	S	.	.	H	α-helix	trans	-66	-41.1	176.5	-68.9	168	121.1	0	0	111.9	L430 S431 R437 I438	L430-E434 HydrophobicContact CB-CB 4.34Å; L430-E434 HydrophobicContact CD2-CB 4Å; S431-E434 WeakPolarHBondContact CB-OE2 3.46Å; S431-E434 PolarHBondContact N-OE2 3.42Å; S431-E434 PolarHBondContact O-N 2.87Å; S431-E434 WeakPolarHBondContact OG-CB 3.38Å; S431-E434 VanDerWaalsContact OG-CD 3.28Å; S431-E434 WeakPolarHBondContact OG-CG 3.46Å; S431-E434 PolarHBondContact OG-N 3.02Å; S431-E434 PolarHBondContact OG-OE2 2.88Å; E434-R437 PolarHBondContact O-N 2.93Å; E434-I438 PolarHBondContact O-N 3.47Å
435	R	95.3	Very high	96.1	Very high	20 Å²	20	54.6 Å²	54.6	8%	0.075	26%	0.26	C	S	.	.	H	α-helix	trans	-58.8	-53.1	174.7	-168.4	-172.4	-55.8	175.2	5.7	110.3	D272 I388 L430 S431 R437 I438 Q439	D272-R435 IonicContact OD1-NH1 3.05Å; D272-R435 PolarHBondContact OD1-NH1 2.79Å; I388-R435 HydrophobicContact CD1-CB 4.41Å; I388-R435 HydrophobicContact CD1-CG 3.72Å; L430-R435 HydrophobicContact CB-CB 4.28Å; L430-R435 PolarHBondContact O-NH2 3.29Å; S431-R435 WeakPolarHBondContact O-CB 3.35Å; S431-R435 PolarHBondContact O-N 3.08Å; R435-R437 VanDerWaalsContact C-N 3.28Å; R435-R437 PolarHBondContact O-N 3.44Å; R435-I438 PolarHBondContact O-N 2.88Å; R435-I438 VanDerWaalsContact O-N 3.13Å; R435-Q439 HydrophobicContact CG-CG 4.38Å; R435-Q439 VanDerWaalsContact O-CG 3.25Å; R435-Q439 WeakPolarHBondContact O-CG 3.37Å; R435-Q439 PolarHBondContact O-N 3.46Å; R435-Q439 PolarHBondContact O-OE1 3.35Å
436	M	95.4	Very high	96.1	Very high	53 Å²	53	49.5 Å²	49.5	26%	0.261	24%	0.24	S	C	.	.	H	α-helix	trans	-55.6	-42.5	178.4	-175.8	62.7	68.2	0	0	112	L267 E268 K432 S433 I438 Q439 L440	L267-M436 HydrophobicContact CB-CE 3.74Å; L267-M436 HydrophobicContact CB-SD 3.48Å; L267-M436 WeakPolarHBondContact CB-SD 3.32Å; L267-M436 HydrophobicContact CD1-SD 3.74Å; L267-M436 HydrophobicContact CG-SD 4.26Å; E268-M436 HydrophobicContact CB-CE 4.01Å; K432-M436 VanDerWaalsContact O-CB 3.27Å; K432-M436 WeakPolarHBondContact O-CB 3.26Å; K432-M436 PolarHBondContact O-N 2.89Å; S433-M436 PolarHBondContact O-N 3.49Å; M436-I438 PolarHBondContact O-N 2.91Å; M436-Q439 PolarHBondContact O-N 2.97Å; M436-L440 HydrophobicContact CG-CD1 3.87Å; M436-L440 HydrophobicContact CG-CG 4.33Å; M436-L440 WeakPolarHBondContact O-CB 3.41Å; M436-L440 VanDerWaalsContact O-CG 3.3Å; M436-L440 WeakPolarHBondContact O-CG 3.32Å; M436-L440 PolarHBondContact O-N 2.81Å; M436-L440 HydrophobicContact SD-CD1 4.24Å; M436-L440 HydrophobicContact SD-CG 4.16Å
437	R	96.7	Very high	96	Very high	117 Å²	117	46.6 Å²	46.6	44%	0.442	23%	0.229	S	C	.	.	H	α-helix	trans	-59.5	-46.4	177.7	-174.5	-178.6	64.6	94.9	0	112.3	S433 E434 R435 A441	S433-R437 WeakPolarHBondContact O-CB 3.3Å; S433-R437 PolarHBondContact O-N 3.31Å; E434-R437 PolarHBondContact O-N 2.93Å; R435-R437 VanDerWaalsContact C-N 3.28Å; R435-R437 PolarHBondContact O-N 3.44Å; R437-A441 PolarHBondContact O-N 3.01Å
438	I	98.1	Very high	96	Very high	6 Å²	6	48.5 Å²	48.5	3%	0.031	24%	0.236	C	C	.	.	H	α-helix	trans	-67.4	-43	178.2	-64.6	174.1	0	0	0	110.4	I388 F412 L430 E434 R435 M436 L440 A441 A442	I388-I438 HydrophobicContact CB-CG2 4.48Å; I388-I438 HydrophobicContact CD1-CB 3.92Å; I388-I438 HydrophobicContact CD1-CD1 4.35Å; I388-I438 HydrophobicContact CD1-CG2 3.9Å; I388-I438 HydrophobicContact CG1-CB 4.39Å; I388-I438 HydrophobicContact CG1-CG2 3.93Å; I388-I438 HydrophobicContact CG2-CG2 3.81Å; F412-I438 HydrophobicContact CE2-CD1 4.45Å; F412-I438 HydrophobicContact CZ-CD1 4.22Å; L430-I438 HydrophobicContact CD1-CD1 3.78Å; E434-I438 PolarHBondContact O-N 3.47Å; R435-I438 PolarHBondContact O-N 2.88Å; R435-I438 VanDerWaalsContact O-N 3.13Å; M436-I438 PolarHBondContact O-N 2.91Å; I438-L440 PolarHBondContact O-N 3.37Å; I438-A441 PolarHBondContact O-N 3.45Å; I438-A442 VanDerWaalsContact O-CB 3.26Å; I438-A442 WeakPolarHBondContact O-CB 3.44Å; I438-A442 PolarHBondContact O-N 3.17Å
439	Q	97.8	Very high	96.1	Very high	3 Å²	3	48 Å²	48	1%	0.014	23%	0.233	C	C	.	.	H	α-helix	trans	-61.8	-44.2	179.6	-69.4	171.7	-59.3	0	0	112.5	L267 G386 I388 R435 M436 A442 R443	L267-Q439 HydrophobicContact CD1-CB 4.15Å; L267-Q439 HydrophobicContact CD2-CB 3.86Å; L267-Q439 HydrophobicContact CG-CB 4.45Å; L267-Q439 PolarHBondContact O-NE2 2.84Å; L267-Q439 PolarHBondContact O-OE1 3.31Å; G386-Q439 VanDerWaalsContact O-CG 3.28Å; G386-Q439 WeakPolarHBondContact O-CG 3.49Å; G386-Q439 PolarHBondContact O-NE2 2.7Å; I388-Q439 HydrophobicContact CD1-CG 4.29Å; I388-Q439 HydrophobicContact CG1-CG 3.87Å; R435-Q439 HydrophobicContact CG-CG 4.38Å; R435-Q439 VanDerWaalsContact O-CG 3.25Å; R435-Q439 WeakPolarHBondContact O-CG 3.37Å; R435-Q439 PolarHBondContact O-N 3.46Å; R435-Q439 PolarHBondContact O-OE1 3.35Å; M436-Q439 PolarHBondContact O-N 2.97Å; Q439-A442 PolarHBondContact O-N 3.35Å; Q439-R443 WeakPolarHBondContact O-CB 3.4Å; Q439-R443 PolarHBondContact O-N 3.22Å
440	L	97.4	Very high	96.2	Very high	97 Å²	97	47.7 Å²	47.7	51%	0.508	23%	0.225	S	C	.	.	H	α-helix	trans	-61.4	-46.4	176.2	-76.3	168	0	0	0	111.4	L267 M436 I438 K444	L267-L440 HydrophobicContact CD1-CD2 3.47Å; L267-L440 VanDerWaalsContact CD1-CD2 3.47Å; L267-L440 HydrophobicContact CD1-CG 3.72Å; M436-L440 HydrophobicContact CG-CD1 3.87Å; M436-L440 HydrophobicContact CG-CG 4.33Å; M436-L440 WeakPolarHBondContact O-CB 3.41Å; M436-L440 VanDerWaalsContact O-CG 3.3Å; M436-L440 WeakPolarHBondContact O-CG 3.32Å; M436-L440 PolarHBondContact O-N 2.81Å; M436-L440 HydrophobicContact SD-CD1 4.24Å; M436-L440 HydrophobicContact SD-CG 4.16Å; I438-L440 PolarHBondContact O-N 3.37Å; L440-K444 VanDerWaalsContact O-CB 3.32Å; L440-K444 WeakPolarHBondContact O-CB 3.37Å; L440-K444 PolarHBondContact O-N 3.46Å
441	A	98.2	Very high	96.2	Very high	2 Å²	2	48 Å²	48	2%	0.017	23%	0.227	C	C	.	.	H	α-helix	trans	-61.4	-44.9	176.8	0	0	0	0	0	111.6	Q408 V410 R437 I438 K444 S445	Q408-A441 HydrophobicContact CB-CB 3.63Å; Q408-A441 HydrophobicContact CG-CB 4.47Å; V410-A441 HydrophobicContact CG1-CB 4.18Å; R437-A441 PolarHBondContact O-N 3.01Å; I438-A441 PolarHBondContact O-N 3.45Å; A441-K444 PolarHBondContact O-N 3Å; A441-S445 VanDerWaalsContact O-CB 3.28Å; A441-S445 WeakPolarHBondContact O-CB 3.48Å; A441-S445 PolarHBondContact O-N 3.3Å
442	A	98.2	Very high	96.3	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-61.4	-53.4	178.5	0	0	0	0	0	111.9	M383 V410 I438 Q439 K444 S445 T446	M383-A442 HydrophobicContact CB-CB 4.28Å; M383-A442 HydrophobicContact CE-CB 3.78Å; M383-A442 WeakPolarHBondContact CE-O 3.45Å; M383-A442 HydrophobicContact CG-CB 4.32Å; V410-A442 HydrophobicContact CB-CB 4.07Å; V410-A442 VanDerWaalsContact O-CB 3.3Å; V410-A442 WeakPolarHBondContact O-CB 2.9Å; I438-A442 VanDerWaalsContact O-CB 3.26Å; I438-A442 WeakPolarHBondContact O-CB 3.44Å; I438-A442 PolarHBondContact O-N 3.17Å; Q439-A442 PolarHBondContact O-N 3.35Å; A442-K444 VanDerWaalsContact C-N 3.31Å; A442-K444 PolarHBondContact O-N 3.43Å; A442-S445 VanDerWaalsContact O-CB 3.28Å; A442-S445 WeakPolarHBondContact O-CB 3.42Å; A442-S445 PolarHBondContact O-N 2.97Å; A442-S445 VanDerWaalsContact O-N 3.08Å; A442-T446 WeakPolarHBondContact O-CG2 3.4Å; A442-T446 PolarHBondContact O-N 3.09Å
443	R	97.2	Very high	96.6	Very high	40 Å²	40	47.5 Å²	47.5	15%	0.151	22%	0.223	C	C	.	.	H	α-helix	trans	-60.4	-39.4	177.2	-177.7	179.6	-73	-177.6	-6.2	111.7	S263 L265 A384 Q439 S445 T446	S263-R443 PolarHBondContact O-NH1 3.5Å; S263-R443 VanDerWaalsContact O-NH1 3.09Å; L265-R443 PolarHBondContact O-NH1 2.81Å; L265-R443 PolarHBondContact O-NH2 2.88Å; A384-R443 VanDerWaalsContact O-CZ 3.25Å; A384-R443 PolarHBondContact O-NE 3.46Å; A384-R443 PolarHBondContact O-NH2 3.38Å; Q439-R443 WeakPolarHBondContact O-CB 3.4Å; Q439-R443 PolarHBondContact O-N 3.22Å; R443-S445 VanDerWaalsContact C-N 3.3Å; R443-S445 PolarHBondContact O-N 2.91Å; R443-T446 PolarHBondContact O-N 3.39Å; R443-T446 PolarHBondContact O-OG1 2.9Å
444	K	97	Very high	96.8	Very high	124 Å²	124	43.5 Å²	43.5	54%	0.539	20%	0.195	S	C	.	.	H	α-helix	trans	-66.5	-35.1	175.6	-171.6	64.3	-180	179.1	0	112.2	Y405 L440 A441 A442 T446 E447	Y405-K444 HydrophobicContact CE1-CB 4.3Å; Y405-K444 HydrophobicContact CE1-CG 3.85Å; L440-K444 VanDerWaalsContact O-CB 3.32Å; L440-K444 WeakPolarHBondContact O-CB 3.37Å; L440-K444 PolarHBondContact O-N 3.46Å; A441-K444 PolarHBondContact O-N 3Å; A442-K444 VanDerWaalsContact C-N 3.31Å; A442-K444 PolarHBondContact O-N 3.43Å; K444-T446 VanDerWaalsContact C-N 3.29Å; K444-T446 PolarHBondContact O-N 3.29Å; K444-E447 HydrophobicContact CD-CG 4.37Å; K444-E447 WeakPolarHBondContact O-CB 3.34Å; K444-E447 WeakPolarHBondContact O-CG 3.47Å; K444-E447 PolarHBondContact O-N 3.34Å
445	S	97.6	Very high	96.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-66	-29.5	178.3	-174.1	0	0	0	0	112.8	A441 A442 R443 E447 R448	A441-S445 VanDerWaalsContact O-CB 3.28Å; A441-S445 WeakPolarHBondContact O-CB 3.48Å; A441-S445 PolarHBondContact O-N 3.3Å; A442-S445 VanDerWaalsContact O-CB 3.28Å; A442-S445 WeakPolarHBondContact O-CB 3.42Å; A442-S445 PolarHBondContact O-N 2.97Å; A442-S445 VanDerWaalsContact O-N 3.08Å; R443-S445 VanDerWaalsContact C-N 3.3Å; R443-S445 PolarHBondContact O-N 2.91Å; S445-E447 PolarHBondContact O-N 2.98Å; S445-R448 WeakPolarHBondContact O-CG 3.19Å; S445-R448 PolarHBondContact O-N 2.9Å; S445-R448 PolarHBondContact O-NE 3.06Å; S445-R448 PolarHBondContact OG-NE 3.07Å; S445-R448 PolarHBondContact OG-NH2 3.41Å
446	T	97.3	Very high	97	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-67.7	-22.4	178.7	67.8	0	0	0	0	113.2	F259 V380 M383 A384 A442 R443 K444 R448 F449	F259-T446 VanDerWaalsContact CE1-O 3.31Å; F259-T446 WeakPolarHBondContact CE1-O 3.38Å; F259-T446 WeakPolarHBondContact CE2-OG1 3.42Å; F259-T446 WeakPolarHBondContact CZ-O 3.36Å; V380-T446 HydrophobicContact CG1-CG2 3.82Å; M383-T446 HydrophobicContact CB-CG2 3.63Å; M383-T446 HydrophobicContact CE-CG2 4.33Å; A384-T446 HydrophobicContact CB-CG2 4.34Å; A442-T446 WeakPolarHBondContact O-CG2 3.4Å; A442-T446 PolarHBondContact O-N 3.09Å; R443-T446 PolarHBondContact O-N 3.39Å; R443-T446 PolarHBondContact O-OG1 2.9Å; K444-T446 VanDerWaalsContact C-N 3.29Å; K444-T446 PolarHBondContact O-N 3.29Å; T446-R448 PolarHBondContact O-N 3.2Å; T446-F449 PolarHBondContact O-N 3.34Å
447	E	96.1	Very high	97.1	Very high	56 Å²	56	44.3 Å²	44.3	26%	0.262	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-52.3	-27	177.2	-68.1	-64.5	129.8	0	0	112.9	K444 S445 F449 R450 I453	K444-E447 HydrophobicContact CD-CG 4.37Å; K444-E447 WeakPolarHBondContact O-CB 3.34Å; K444-E447 WeakPolarHBondContact O-CG 3.47Å; K444-E447 PolarHBondContact O-N 3.34Å; S445-E447 PolarHBondContact O-N 2.98Å; E447-F449 PolarHBondContact O-N 2.93Å; E447-R450 WeakPolarHBondContact O-CB 3.47Å; E447-R450 WeakPolarHBondContact O-CG 3.4Å; E447-R450 PolarHBondContact O-N 3.46Å; E447-R450 WeakPolarHBondContact OE2-CD 3.29Å; E447-R450 IonicContact OE2-CZ 3.87Å; E447-R450 IonicContact OE2-NE 3.72Å; E447-R450 IonicContact OE2-NH1 2.87Å; E447-R450 PolarHBondContact OE2-NH1 3.49Å; E447-I453 WeakPolarHBondContact O-CD1 3.25Å
448	R	95.9	Very high	97.2	Very high	40 Å²	40	38.9 Å²	38.9	15%	0.151	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-62.1	-19.9	175.1	-62.6	-178.8	-70.2	143.5	0	114.2	D400 Y405 S445 T446	D400-R448 PolarHBondContact O-NH1 3.2Å; D400-R448 PolarHBondContact O-NH2 2.91Å; Y405-R448 HydrophobicContact CE2-CG 4.22Å; S445-R448 WeakPolarHBondContact O-CG 3.19Å; S445-R448 PolarHBondContact O-N 2.9Å; S445-R448 PolarHBondContact O-NE 3.06Å; S445-R448 PolarHBondContact OG-NE 3.07Å; S445-R448 PolarHBondContact OG-NH2 3.41Å; T446-R448 PolarHBondContact O-N 3.2Å
449	F	96.9	Very high	97.2	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.009	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-109.6	10.9	-173.7	-47.5	-55.8	0	0	0	113	F254 C257 F375 V380 I401 T446 E447	F254-F449 HydrophobicContact CB-CD1 3.75Å; F254-F449 HydrophobicContact CB-CE1 4.34Å; F254-F449 HydrophobicContact CD1-CD1 4.26Å; F254-F449 AromaticContact CD1-CE1 3.99Å; F254-F449 HydrophobicContact CD1-CE1 3.99Å; F254-F449 AromaticContact CD2-CD1 3.72Å; F254-F449 HydrophobicContact CD2-CD1 3.72Å; F254-F449 AromaticContact CD2-CE1 3.7Å; F254-F449 HydrophobicContact CD2-CE1 3.7Å; F254-F449 HydrophobicContact CE1-CE1 4.19Å; F254-F449 HydrophobicContact CE2-CD1 4.38Å; F254-F449 AromaticContact CE2-CE1 3.9Å; F254-F449 HydrophobicContact CE2-CE1 3.9Å; F254-F449 AromaticContact CG-CD1 3.65Å; F254-F449 HydrophobicContact CG-CD1 3.65Å; F254-F449 AromaticContact CG-CE1 3.75Å; F254-F449 HydrophobicContact CG-CE1 3.75Å; F254-F449 HydrophobicContact CZ-CE1 4.14Å; C257-F449 HydrophobicContact CB-CB 4.24Å; C257-F449 WeakPolarHBondContact CB-O 3.46Å; C257-F449 PolarHBondContact N-O 2.81Å; F375-F449 AromaticContact CE2-CD1 3.94Å; F375-F449 HydrophobicContact CE2-CD1 3.94Å; F375-F449 AromaticContact CE2-CE1 3.74Å; F375-F449 HydrophobicContact CE2-CE1 3.74Å; F375-F449 HydrophobicContact CE2-CZ 4.3Å; F375-F449 HydrophobicContact CZ-CB 4.38Å; F375-F449 AromaticContact CZ-CD1 3.52Å; F375-F449 HydrophobicContact CZ-CD1 3.52Å; F375-F449 HydrophobicContact CZ-CD2 4.29Å; F375-F449 AromaticContact CZ-CE1 3.71Å; F375-F449 HydrophobicContact CZ-CE1 3.71Å; F375-F449 HydrophobicContact CZ-CE2 4.47Å; F375-F449 AromaticContact CZ-CG 3.81Å; F375-F449 HydrophobicContact CZ-CG 3.81Å; F375-F449 HydrophobicContact CZ-CZ 4.19Å; V380-F449 HydrophobicContact CB-CD2 4.43Å; V380-F449 HydrophobicContact CG1-CB 4.31Å; V380-F449 HydrophobicContact CG1-CD2 3.8Å; V380-F449 HydrophobicContact CG1-CG 4.49Å; V380-F449 HydrophobicContact CG2-CD2 3.68Å; V380-F449 HydrophobicContact CG2-CE2 4.03Å; V380-F449 HydrophobicContact CG2-CG 4.34Å; I401-F449 HydrophobicContact CG1-CE2 4.32Å; I401-F449 HydrophobicContact CG1-CZ 4.12Å; T446-F449 PolarHBondContact O-N 3.34Å; E447-F449 PolarHBondContact O-N 2.93Å
450	R	96	Very high	97.1	Very high	93 Å²	93	45.2 Å²	45.2	35%	0.351	21%	0.209	S	C	.	.	B	Isolated β-bridge	trans	-56.6	143.3	177.7	-83.7	-174.2	61.8	170.4	6.3	112.4	F259 E447 E452 I453 F454	F259-R450 HydrophobicContact CE1-CG 4.22Å; F259-R450 HydrophobicContact CE2-CG 4.16Å; F259-R450 HydrophobicContact CZ-CG 3.51Å; E447-R450 WeakPolarHBondContact O-CB 3.47Å; E447-R450 WeakPolarHBondContact O-CG 3.4Å; E447-R450 PolarHBondContact O-N 3.46Å; E447-R450 WeakPolarHBondContact OE2-CD 3.29Å; E447-R450 IonicContact OE2-CZ 3.87Å; E447-R450 IonicContact OE2-NE 3.72Å; E447-R450 IonicContact OE2-NH1 2.87Å; E447-R450 PolarHBondContact OE2-NH1 3.49Å; R450-E452 WeakPolarHBondContact CB-OE2 3.28Å; R450-E452 IonicContact CZ-OE1 3.74Å; R450-E452 IonicContact CZ-OE2 3.94Å; R450-E452 IonicContact NE-OE1 3.19Å; R450-E452 IonicContact NE-OE2 2.8Å; R450-E452 PolarHBondContact NE-OE2 3.24Å; R450-E452 VanDerWaalsContact NH2-CD 3.3Å; R450-E452 IonicContact NH2-OE1 3.99Å; R450-E452 PolarHBondContact NH2-OE1 3.25Å; R450-E452 IonicContact NH2-OE2 3.7Å; R450-E452 PolarHBondContact NH2-OE2 3.38Å; R450-E452 PolarHBondContact O-N 3.07Å; R450-I453 HydrophobicContact CB-CD1 4.38Å; R450-I453 HydrophobicContact CB-CG1 4.23Å; R450-I453 WeakPolarHBondContact O-CB 3.42Å; R450-I453 PolarHBondContact O-N 3.26Å; R450-F454 PolarHBondContact O-N 2.74Å
451	T	95.4	Very high	97.1	Very high	23 Å²	23	41.3 Å²	41.3	14%	0.141	19%	0.188	C	C	.	.	H	α-helix	trans	-51.7	-40.9	175.7	-59.4	0	0	0	0	111.8	P256 C257 I453 F454 E455	P256-T451 HydrophobicContact CB-CG2 3.94Å; C257-T451 PolarHBondContact O-OG1 3.5Å; T451-I453 VanDerWaalsContact C-N 3.3Å; T451-I453 PolarHBondContact O-N 3.42Å; T451-F454 WeakPolarHBondContact O-CB 3.37Å; T451-F454 PolarHBondContact O-N 2.98Å; T451-E455 HydrophobicContact CG2-CG 4.19Å; T451-E455 WeakPolarHBondContact O-CG 3.4Å; T451-E455 PolarHBondContact O-N 3.27Å
452	E	95.5	Very high	97	Very high	85 Å²	85	41.6 Å²	41.6	40%	0.397	19%	0.189	S	C	.	.	H	α-helix	trans	-65.9	-31.7	-179.4	-55.4	90.7	151.8	0	0	112.8	R450 N456	R450-E452 WeakPolarHBondContact CB-OE2 3.28Å; R450-E452 IonicContact CZ-OE1 3.74Å; R450-E452 IonicContact CZ-OE2 3.94Å; R450-E452 IonicContact NE-OE1 3.19Å; R450-E452 IonicContact NE-OE2 2.8Å; R450-E452 PolarHBondContact NE-OE2 3.24Å; R450-E452 VanDerWaalsContact NH2-CD 3.3Å; R450-E452 IonicContact NH2-OE1 3.99Å; R450-E452 PolarHBondContact NH2-OE1 3.25Å; R450-E452 IonicContact NH2-OE2 3.7Å; R450-E452 PolarHBondContact NH2-OE2 3.38Å; R450-E452 PolarHBondContact O-N 3.07Å; E452-N456 VanDerWaalsContact O-CB 3.31Å; E452-N456 WeakPolarHBondContact O-CB 3.37Å; E452-N456 VanDerWaalsContact O-CG 3.23Å; E452-N456 PolarHBondContact O-N 3Å; E452-N456 PolarHBondContact O-ND2 3.46Å
453	I	97	Very high	96.9	Very high	62 Å²	62	45.9 Å²	45.9	32%	0.318	21%	0.209	S	C	.	.	H	α-helix	trans	-69.2	-44.9	174.8	-63.6	-178.4	0	0	0	109.8	E447 R450 T451 N456 Q457	E447-I453 WeakPolarHBondContact O-CD1 3.25Å; R450-I453 HydrophobicContact CB-CD1 4.38Å; R450-I453 HydrophobicContact CB-CG1 4.23Å; R450-I453 WeakPolarHBondContact O-CB 3.42Å; R450-I453 PolarHBondContact O-N 3.26Å; T451-I453 VanDerWaalsContact C-N 3.3Å; T451-I453 PolarHBondContact O-N 3.42Å; I453-N456 PolarHBondContact O-N 3.39Å; I453-Q457 HydrophobicContact CG2-CG 4.42Å; I453-Q457 WeakPolarHBondContact O-CB 3.5Å; I453-Q457 WeakPolarHBondContact O-CG 3.47Å; I453-Q457 PolarHBondContact O-N 2.88Å
454	F	98	Very high	96.7	Very high	3 Å²	3	47.7 Å²	47.7	1%	0.013	22%	0.221	C	C	.	.	H	α-helix	trans	-56.3	-52.7	173.4	166.7	-90.6	0	0	0	110.9	V56 C59 A60 Y170 V253 F254 P256 R450 T451 N456 Q457 F458	V56-F454 HydrophobicContact CG1-CE2 4.11Å; V56-F454 HydrophobicContact CG1-CZ 3.89Å; V56-F454 HydrophobicContact CG2-CE2 4.46Å; C59-F454 HydrophobicContact CB-CD1 3.84Å; C59-F454 HydrophobicContact CB-CE1 3.57Å; A60-F454 HydrophobicContact CB-CE1 4.38Å; A60-F454 HydrophobicContact CB-CZ 4.3Å; Y170-F454 HydrophobicContact CD2-CE2 4.2Å; Y170-F454 HydrophobicContact CE2-CD2 4.39Å; Y170-F454 AromaticContact CE2-CE2 3.69Å; Y170-F454 HydrophobicContact CE2-CE2 3.69Å; V253-F454 HydrophobicContact CG1-CD2 3.66Å; V253-F454 HydrophobicContact CG1-CE2 3.99Å; F254-F454 VanDerWaalsContact O-CD2 3.31Å; F254-F454 WeakPolarHBondContact O-CD2 3.04Å; P256-F454 HydrophobicContact CB-CB 3.9Å; P256-F454 HydrophobicContact CB-CD1 3.93Å; P256-F454 HydrophobicContact CB-CG 3.89Å; P256-F454 HydrophobicContact CG-CD1 3.94Å; P256-F454 HydrophobicContact CG-CD2 4.38Å; P256-F454 HydrophobicContact CG-CE1 4.27Å; P256-F454 HydrophobicContact CG-CG 4.02Å; R450-F454 PolarHBondContact O-N 2.74Å; T451-F454 WeakPolarHBondContact O-CB 3.37Å; T451-F454 PolarHBondContact O-N 2.98Å; F454-N456 VanDerWaalsContact C-N 3.34Å; F454-N456 PolarHBondContact O-N 3.09Å; F454-Q457 PolarHBondContact O-N 3.04Å; F454-F458 HydrophobicContact CE1-CB 4.45Å; F454-F458 HydrophobicContact CZ-CB 4.43Å; F454-F458 HydrophobicContact CZ-CD2 4.39Å; F454-F458 VanDerWaalsContact O-CB 3.25Å; F454-F458 WeakPolarHBondContact O-CB 3.38Å; F454-F458 PolarHBondContact O-N 3.35Å
455	E	97.3	Very high	96.5	Very high	18 Å²	18	41.8 Å²	41.8	8%	0.084	20%	0.196	C	C	.	.	H	α-helix	trans	-59.1	-44.7	-177.8	-68.6	-174.6	170.2	0	0	111.1	N62 A63 R66 T451 F458 L459	N62-E455 PolarHBondContact ND2-OE1 3.28Å; A63-E455 HydrophobicContact CB-CB 3.83Å; A63-E455 HydrophobicContact CB-CG 3.87Å; R66-E455 IonicContact NH1-OE1 3.79Å; R66-E455 PolarHBondContact NH1-OE1 3.38Å; R66-E455 IonicContact NH1-OE2 3.37Å; R66-E455 PolarHBondContact NH1-OE2 3.29Å; T451-E455 HydrophobicContact CG2-CG 4.19Å; T451-E455 WeakPolarHBondContact O-CG 3.4Å; T451-E455 PolarHBondContact O-N 3.27Å; E455-F458 PolarHBondContact O-N 3.16Å; E455-L459 WeakPolarHBondContact O-CB 3.3Å; E455-L459 WeakPolarHBondContact O-CG 3.39Å; E455-L459 PolarHBondContact O-N 3.32Å
456	N	97.8	Very high	96	Very high	88 Å²	88	44.9 Å²	44.9	47%	0.471	22%	0.217	S	C	.	.	H	α-helix	trans	-65.3	-42.6	178.5	-76.5	-38.9	0	0	0	113.1	R67 E452 I453 F454 K460	R67-N456 PolarHBondContact NH2-OD1 2.93Å; E452-N456 VanDerWaalsContact O-CB 3.31Å; E452-N456 WeakPolarHBondContact O-CB 3.37Å; E452-N456 VanDerWaalsContact O-CG 3.23Å; E452-N456 PolarHBondContact O-N 3Å; E452-N456 PolarHBondContact O-ND2 3.46Å; I453-N456 PolarHBondContact O-N 3.39Å; F454-N456 VanDerWaalsContact C-N 3.34Å; F454-N456 PolarHBondContact O-N 3.09Å; N456-K460 WeakPolarHBondContact O-CB 3.22Å; N456-K460 PolarHBondContact O-N 2.94Å
457	Q	98.1	Very high	95.2	Very high	70 Å²	70	50.3 Å²	50.3	33%	0.327	25%	0.249	S	C	.	.	H	α-helix	trans	-66.7	-45.8	176.9	-73.6	-178.1	0.4	0	0	111.4	L252 V253 I453 F454 L459 K460 I461	L252-Q457 PolarHBondContact O-OE1 2.83Å; V253-Q457 HydrophobicContact CG1-CB 4.15Å; V253-Q457 HydrophobicContact CG2-CB 4.44Å; I453-Q457 HydrophobicContact CG2-CG 4.42Å; I453-Q457 WeakPolarHBondContact O-CB 3.5Å; I453-Q457 WeakPolarHBondContact O-CG 3.47Å; I453-Q457 PolarHBondContact O-N 2.88Å; F454-Q457 PolarHBondContact O-N 3.04Å; Q457-L459 VanDerWaalsContact C-N 3.33Å; Q457-L459 PolarHBondContact O-N 2.95Å; Q457-K460 PolarHBondContact O-N 2.65Å; Q457-I461 WeakPolarHBondContact O-CB 3.07Å; Q457-I461 WeakPolarHBondContact O-CD1 3.3Å; Q457-I461 VanDerWaalsContact O-CG1 3.27Å; Q457-I461 WeakPolarHBondContact O-CG1 3.24Å; Q457-I461 PolarHBondContact O-N 3.39Å
458	F	98.3	Very high	93.7	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.018	26%	0.26	C	S	.	.	H	α-helix	trans	-55.2	-49.8	175.8	176.7	-91.9	0	0	0	110.7	F42 A60 A63 L64 I147 M230 F454 E455 K460 I461 F462	F42-F458 HydrophobicContact CE1-CZ 4.23Å; F42-F458 HydrophobicContact CZ-CZ 4.21Å; A60-F458 HydrophobicContact CB-CD1 4.32Å; A60-F458 HydrophobicContact CB-CD2 4.14Å; A60-F458 HydrophobicContact CB-CE1 3.96Å; A60-F458 HydrophobicContact CB-CE2 3.75Å; A60-F458 HydrophobicContact CB-CG 4.42Å; A60-F458 HydrophobicContact CB-CZ 3.67Å; A63-F458 HydrophobicContact CB-CD1 4.42Å; L64-F458 HydrophobicContact CD1-CE1 4.11Å; L64-F458 HydrophobicContact CD1-CZ 4.44Å; L64-F458 HydrophobicContact CD2-CE1 4.14Å; L64-F458 HydrophobicContact CG-CE1 3.93Å; I147-F458 HydrophobicContact CD1-CE2 4.48Å; I147-F458 HydrophobicContact CD1-CZ 4.02Å; M230-F458 HydrophobicContact CE-CD2 3.96Å; M230-F458 HydrophobicContact CE-CE2 3.85Å; M230-F458 HydrophobicContact SD-CD2 3.74Å; M230-F458 HydrophobicContact SD-CE2 4.26Å; F454-F458 HydrophobicContact CE1-CB 4.45Å; F454-F458 HydrophobicContact CZ-CB 4.43Å; F454-F458 HydrophobicContact CZ-CD2 4.39Å; F454-F458 VanDerWaalsContact O-CB 3.25Å; F454-F458 WeakPolarHBondContact O-CB 3.38Å; F454-F458 PolarHBondContact O-N 3.35Å; E455-F458 PolarHBondContact O-N 3.16Å; F458-K460 PolarHBondContact O-N 2.95Å; F458-I461 PolarHBondContact O-N 3.41Å; F458-F462 HydrophobicContact CE1-CB 4.44Å; F458-F462 VanDerWaalsContact O-CB 3.25Å; F458-F462 WeakPolarHBondContact O-CB 3.41Å; F458-F462 PolarHBondContact O-N 3.04Å
459	L	97.7	Very high	91.3	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-63.7	-42.9	-179.9	-73.9	174	0	0	0	113.1	A63 L64 I69 E455 Q457 I461 F462 Q463	A63-L459 HydrophobicContact CB-CD1 4Å; A63-L459 HydrophobicContact CB-CD2 4.13Å; A63-L459 HydrophobicContact CB-CG 3.91Å; L64-L459 HydrophobicContact CD2-CD2 3.84Å; L64-L459 HydrophobicContact CG-CD2 4.46Å; I69-L459 HydrophobicContact CD1-CD2 3.73Å; E455-L459 WeakPolarHBondContact O-CB 3.3Å; E455-L459 WeakPolarHBondContact O-CG 3.39Å; E455-L459 PolarHBondContact O-N 3.32Å; Q457-L459 VanDerWaalsContact C-N 3.33Å; Q457-L459 PolarHBondContact O-N 2.95Å; L459-I461 VanDerWaalsContact C-N 3.32Å; L459-I461 PolarHBondContact O-N 2.85Å; L459-F462 PolarHBondContact O-N 2.87Å; L459-Q463 WeakPolarHBondContact O-CB 3.48Å; L459-Q463 VanDerWaalsContact O-CG 3.27Å; L459-Q463 WeakPolarHBondContact O-CG 3.28Å; L459-Q463 PolarHBondContact O-N 2.61Å
460	K	97.2	Very high	91	Very high	140 Å²	140	64.9 Å²	64.9	61%	0.609	32%	0.323	S	S	*	.	H	α-helix	trans	-59.4	-45.1	176.2	-179.3	178.7	-179	176.5	0	111.4	N456 Q457 F458 N464	N456-K460 WeakPolarHBondContact O-CB 3.22Å; N456-K460 PolarHBondContact O-N 2.94Å; Q457-K460 PolarHBondContact O-N 2.65Å; F458-K460 PolarHBondContact O-N 2.95Å; K460-N464 PolarHBondContact O-N 3Å; K460-N464 VanDerWaalsContact O-N 3.17Å; K460-N464 PolarHBondContact O-ND2 2.67Å
461	I	97.2	Very high	90.7	Very high	15 Å²	15	63.4 Å²	63.4	8%	0.077	32%	0.321	C	S	.	.	H	α-helix	trans	-67.6	-42.9	179.6	-70.4	164.5	0	0	0	110.7	T228 M230 Y251 V253 Q457 F458 L459 N464 L465	T228-I461 HydrophobicContact CG2-CG2 3.2Å; M230-I461 HydrophobicContact CG-CD1 4.1Å; M230-I461 HydrophobicContact CG-CG2 4.11Å; M230-I461 HydrophobicContact SD-CB 4.46Å; M230-I461 HydrophobicContact SD-CD1 4.31Å; M230-I461 HydrophobicContact SD-CG2 4.01Å; Y251-I461 VanDerWaalsContact CB-CD1 3.5Å; Y251-I461 HydrophobicContact CD1-CD1 4.3Å; Y251-I461 HydrophobicContact CD1-CG1 4.31Å; Y251-I461 HydrophobicContact CD2-CD1 4.26Å; Y251-I461 HydrophobicContact CD2-CG1 4.3Å; Y251-I461 HydrophobicContact CD2-CG2 4.1Å; Y251-I461 HydrophobicContact CE2-CG2 4.4Å; Y251-I461 HydrophobicContact CG-CD1 3.77Å; Y251-I461 HydrophobicContact CG-CG1 4.05Å; V253-I461 HydrophobicContact CG2-CD1 3.41Å; V253-I461 VanDerWaalsContact CG2-CD1 3.41Å; Q457-I461 WeakPolarHBondContact O-CB 3.07Å; Q457-I461 WeakPolarHBondContact O-CD1 3.3Å; Q457-I461 VanDerWaalsContact O-CG1 3.27Å; Q457-I461 WeakPolarHBondContact O-CG1 3.24Å; Q457-I461 PolarHBondContact O-N 3.39Å; F458-I461 PolarHBondContact O-N 3.41Å; L459-I461 VanDerWaalsContact C-N 3.32Å; L459-I461 PolarHBondContact O-N 2.85Å; I461-N464 PolarHBondContact O-N 3.39Å; I461-L465 PolarHBondContact O-N 3.02Å
462	F	96.4	Very high	90.4	Very high	7 Å²	7	65.6 Å²	65.6	3%	0.031	33%	0.331	C	S	.	.	H	α-helix	trans	-61.3	-44.6	176.3	179.3	-88.6	0	0	0	112	V40 L64 I69 I145 I147 F458 L459 N464 L465 C466	V40-F462 HydrophobicContact CG1-CE2 4.19Å; V40-F462 HydrophobicContact CG2-CE2 3.68Å; V40-F462 HydrophobicContact CG2-CZ 3.51Å; L64-F462 HydrophobicContact CD1-CE2 4.48Å; L64-F462 HydrophobicContact CD2-CD1 3.71Å; L64-F462 HydrophobicContact CD2-CD2 4.21Å; L64-F462 HydrophobicContact CD2-CE1 3.7Å; L64-F462 HydrophobicContact CD2-CE2 4.19Å; L64-F462 HydrophobicContact CD2-CG 3.98Å; L64-F462 HydrophobicContact CD2-CZ 3.95Å; I69-F462 HydrophobicContact CG2-CD1 4.14Å; I69-F462 HydrophobicContact CG2-CE1 3.57Å; I145-F462 HydrophobicContact CD1-CE1 4.42Å; I145-F462 HydrophobicContact CD1-CE2 3.74Å; I145-F462 HydrophobicContact CD1-CZ 3.54Å; I145-F462 HydrophobicContact CG2-CE2 4.16Å; I147-F462 HydrophobicContact CD1-CD2 4.16Å; I147-F462 HydrophobicContact CD1-CE2 4.22Å; F458-F462 HydrophobicContact CE1-CB 4.44Å; F458-F462 VanDerWaalsContact O-CB 3.25Å; F458-F462 WeakPolarHBondContact O-CB 3.41Å; F458-F462 PolarHBondContact O-N 3.04Å; L459-F462 PolarHBondContact O-N 2.87Å; F462-N464 VanDerWaalsContact C-N 3.33Å; F462-N464 PolarHBondContact O-N 3.34Å; F462-L465 WeakPolarHBondContact O-CB 3.48Å; F462-L465 PolarHBondContact O-N 3.26Å; F462-L465 VanDerWaalsContact O-N 3.12Å; F462-C466 WeakPolarHBondContact CE1-SG 3.01Å; F462-C466 PolarHBondContact O-N 2.93Å; F462-C466 PolarHBondContact O-SG 3.25Å
463	Q	94.3	Very high	90.2	Very high	91 Å²	91	64.5 Å²	64.5	43%	0.425	33%	0.327	S	S	.	.	H	α-helix	trans	-60.2	-42.8	176.2	-75.5	173.5	-21.6	0	0	111.7	L459 L465 C466 V467	L459-Q463 WeakPolarHBondContact O-CB 3.48Å; L459-Q463 VanDerWaalsContact O-CG 3.27Å; L459-Q463 WeakPolarHBondContact O-CG 3.28Å; L459-Q463 PolarHBondContact O-N 2.61Å; Q463-L465 VanDerWaalsContact C-N 3.31Å; Q463-L465 PolarHBondContact O-N 2.83Å; Q463-C466 WeakPolarHBondContact O-CB 3.27Å; Q463-C466 PolarHBondContact O-N 3.45Å; Q463-V467 WeakPolarHBondContact O-CG2 3.16Å; Q463-V467 PolarHBondContact O-N 3.23Å; Q463-V467 VanDerWaalsContact O-N 3.15Å
464	N	93.4	Very high	89.7	Confident	78 Å²	78	64.6 Å²	64.6	42%	0.417	33%	0.328	S	S	.	.	H	α-helix	trans	-60.6	-41.9	174.4	-69.4	-16.7	0	0	0	111.6	K460 I461 F462 C466 V467 L468	K460-N464 PolarHBondContact O-N 3Å; K460-N464 VanDerWaalsContact O-N 3.17Å; K460-N464 PolarHBondContact O-ND2 2.67Å; I461-N464 PolarHBondContact O-N 3.39Å; F462-N464 VanDerWaalsContact C-N 3.33Å; F462-N464 PolarHBondContact O-N 3.34Å; N464-C466 VanDerWaalsContact C-N 3.28Å; N464-C466 PolarHBondContact O-N 3.5Å; N464-V467 PolarHBondContact O-N 3.48Å; N464-V467 VanDerWaalsContact O-N 3.15Å; N464-L468 VanDerWaalsContact O-CG 3.31Å; N464-L468 WeakPolarHBondContact O-CG 2.95Å; N464-L468 PolarHBondContact O-N 3.22Å
465	L	92.8	Very high	89.2	Confident	1 Å²	1	68.7 Å²	68.7	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-58.8	-38.9	175.7	177.8	66.6	0	0	0	112.5	I145 K166 A168 D227 I461 F462 Q463 V467	I145-L465 HydrophobicContact CG2-CD2 3.76Å; K166-L465 HydrophobicContact CB-CD1 4.07Å; K166-L465 HydrophobicContact CB-CG 4.19Å; K166-L465 HydrophobicContact CD-CD1 4.48Å; A168-L465 HydrophobicContact CB-CD2 3.83Å; D227-L465 HydrophobicContact CB-CD1 3.54Å; I461-L465 PolarHBondContact O-N 3.02Å; F462-L465 WeakPolarHBondContact O-CB 3.48Å; F462-L465 PolarHBondContact O-N 3.26Å; F462-L465 VanDerWaalsContact O-N 3.12Å; Q463-L465 VanDerWaalsContact C-N 3.31Å; Q463-L465 PolarHBondContact O-N 2.83Å; L465-V467 VanDerWaalsContact C-N 3.34Å
466	C	87.8	Confident	88.6	Confident	64 Å²	64	72.4 Å²	72.4	43%	0.432	37%	0.368	S	S	.	.	H	α-helix	trans	-68.5	-30.9	177.1	-63.6	0	0	0	0	113.1	I145 F462 Q463 N464	I145-C466 WeakPolarHBondContact CD1-SG 3.45Å; F462-C466 WeakPolarHBondContact CE1-SG 3.01Å; F462-C466 PolarHBondContact O-N 2.93Å; F462-C466 PolarHBondContact O-SG 3.25Å; Q463-C466 WeakPolarHBondContact O-CB 3.27Å; Q463-C466 PolarHBondContact O-N 3.45Å; N464-C466 VanDerWaalsContact C-N 3.28Å; N464-C466 PolarHBondContact O-N 3.5Å
467	V	81	Confident	87.9	Confident	114 Å²	114	71.2 Å²	71.2	69%	0.691	36%	0.36	S	S	*	.	H	α-helix	trans	-84.4	-28.3	-178.7	176.1	0	0	0	0	112.4	Q463 N464 L465 Q469	Q463-V467 WeakPolarHBondContact O-CG2 3.16Å; Q463-V467 PolarHBondContact O-N 3.23Å; Q463-V467 VanDerWaalsContact O-N 3.15Å; N464-V467 PolarHBondContact O-N 3.48Å; N464-V467 VanDerWaalsContact O-N 3.15Å; L465-V467 VanDerWaalsContact C-N 3.34Å; V467-Q469 PolarHBondContact O-N 2.77Å
468	L	62.8	Low	87	Confident	94 Å²	94	71.3 Å²	71.3	49%	0.492	36%	0.363	S	S	.	.			trans	-58.5	109.4	175.6	-73.4	170.3	0	0	0	109.5	K166 N464	K166-L468 WeakPolarHBondContact CE-O 3.37Å; K166-L468 PolarHBondContact NZ-O 3.15Å; N464-L468 VanDerWaalsContact O-CG 3.31Å; N464-L468 WeakPolarHBondContact O-CG 2.95Å; N464-L468 PolarHBondContact O-N 3.22Å
469	Q	45.6	Very low	86	Confident	245 Å²	245	77.4 Å²	77.4	100%	1.145	39%	0.394	S	S	*	.			trans	-67.2	0	175.6	-73.6	-176.2	-18.7	0	0	111.6	K166 V467	K166-Q469 PolarHBondContact NZ-OXT 3.05Å; V467-Q469 PolarHBondContact O-N 2.77Å

Retrieved 469 of 469 residues in 364.9 ms (Link to these results)

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