A0A5K4F191_SCHMA Loading...

Protein Wnt

Ligand for members of the frizzled family of seven transmembrane receptors.

AlphaFold DB , UniProt , Accession A0A5K4F191, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 796 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	57.6	Low	76.8	Confident	192 Å²	192	126.5 Å²	126.5	95%	0.946	61%	0.611	S	S	*	*				0	-59.7	0	-76.4	-59.7	-169.8	0	0	111.9	M3 I4 E5	M1-M3 VanDerWaalsContact C-N 3.3Å; M1-M3 PolarHBondContact O-N 3.35Å; M1-I4 WeakPolarHBondContact O-CB 3.31Å; M1-I4 PolarHBondContact O-N 2.96Å; M1-E5 PolarHBondContact O-N 3.38Å
2	Q	63.8	Low	77.3	Confident	161 Å²	161	124.6 Å²	124.6	75%	0.752	60%	0.604	S	S	*	*	H	α-helix	trans	-54.8	-37.4	178.9	-75.8	173.4	-23.5	0	0	115	I4 E5 L6	Q2-I4 VanDerWaalsContact C-N 3.28Å; Q2-I4 PolarHBondContact O-N 3.46Å; Q2-E5 PolarHBondContact O-N 3.17Å; Q2-L6 PolarHBondContact O-N 3.34Å; Q2-L6 VanDerWaalsContact O-N 3.09Å
3	M	66.9	Low	77.7	Confident	154 Å²	154	121.6 Å²	121.6	76%	0.759	59%	0.591	S	S	*	*	H	α-helix	trans	-64	-29.5	175.6	-71	-69.5	-77.1	0	0	113.8	M1 Y7	M1-M3 VanDerWaalsContact C-N 3.3Å; M1-M3 PolarHBondContact O-N 3.35Å; M3-Y7 WeakPolarHBondContact O-CB 3.47Å; M3-Y7 PolarHBondContact O-N 2.96Å; M3-Y7 VanDerWaalsContact O-N 3.17Å
4	I	80	Confident	77.9	Confident	102 Å²	102	118.2 Å²	118.2	52%	0.523	58%	0.577	S	S	.	*	H	α-helix	trans	-77.7	-37.7	179.5	-62.6	171.5	0	0	0	110.1	M1 Q2 Y7 N8	M1-I4 WeakPolarHBondContact O-CB 3.31Å; M1-I4 PolarHBondContact O-N 2.96Å; Q2-I4 VanDerWaalsContact C-N 3.28Å; Q2-I4 PolarHBondContact O-N 3.46Å; I4-Y7 PolarHBondContact O-N 3.2Å; I4-N8 PolarHBondContact O-N 3.29Å; I4-N8 PolarHBondContact O-ND2 3.43Å
5	E	72.8	Confident	78	Confident	141 Å²	141	114.8 Å²	114.8	66%	0.659	57%	0.569	S	S	*	*	H	α-helix	trans	-65	-42.6	174.8	-68.9	-171.6	159.5	0	0	111.7	M1 Q2 Y7 N8 L9	M1-E5 PolarHBondContact O-N 3.38Å; Q2-E5 PolarHBondContact O-N 3.17Å; E5-Y7 VanDerWaalsContact C-N 3.35Å; E5-Y7 PolarHBondContact O-N 3.09Å; E5-N8 PolarHBondContact O-N 3.35Å; E5-L9 WeakPolarHBondContact O-CB 3.48Å; E5-L9 PolarHBondContact O-N 3.31Å
6	L	83.1	Confident	77.6	Confident	112 Å²	112	118.4 Å²	118.4	59%	0.586	58%	0.576	S	S	*	*	H	α-helix	trans	-61.8	-40.9	174.7	-78.1	164.5	0	0	0	112.3	Q2 L9 F10	Q2-L6 PolarHBondContact O-N 3.34Å; Q2-L6 VanDerWaalsContact O-N 3.09Å; L6-L9 PolarHBondContact O-N 2.97Å; L6-F10 WeakPolarHBondContact O-CB 3.44Å; L6-F10 PolarHBondContact O-N 3.27Å
7	Y	85.7	Confident	77	Confident	143 Å²	143	117.1 Å²	117.1	56%	0.561	57%	0.573	S	S	*	*	H	α-helix	trans	-65.4	-42.4	177.3	-174.4	-101.8	0	0	0	112.4	M3 I4 E5 F10 L11	M3-Y7 WeakPolarHBondContact O-CB 3.47Å; M3-Y7 PolarHBondContact O-N 2.96Å; M3-Y7 VanDerWaalsContact O-N 3.17Å; I4-Y7 PolarHBondContact O-N 3.2Å; E5-Y7 VanDerWaalsContact C-N 3.35Å; E5-Y7 PolarHBondContact O-N 3.09Å; Y7-F10 PolarHBondContact O-N 3.46Å; Y7-L11 HydrophobicContact CD1-CD1 3.96Å; Y7-L11 HydrophobicContact CD1-CG 4.42Å; Y7-L11 HydrophobicContact CE1-CD1 3.5Å; Y7-L11 HydrophobicContact CE1-CG 4.1Å; Y7-L11 WeakPolarHBondContact O-CG 3.48Å; Y7-L11 PolarHBondContact O-N 3.02Å
8	N	78.9	Confident	76.5	Confident	83 Å²	83	116.8 Å²	116.8	44%	0.444	57%	0.572	S	S	.	*	H	α-helix	trans	-66.6	-39.1	176.6	-75.9	-28.1	0	0	0	112.1	I4 E5 F10 L11 I12	I4-N8 PolarHBondContact O-N 3.29Å; I4-N8 PolarHBondContact O-ND2 3.43Å; E5-N8 PolarHBondContact O-N 3.35Å; N8-F10 VanDerWaalsContact C-N 3.32Å; N8-F10 PolarHBondContact O-N 3.37Å; N8-L11 PolarHBondContact O-N 2.7Å; N8-I12 VanDerWaalsContact O-CG1 3.31Å; N8-I12 WeakPolarHBondContact O-CG1 3.31Å; N8-I12 PolarHBondContact O-N 3.47Å
9	L	83.8	Confident	75.9	Confident	104 Å²	104	118.8 Å²	118.8	55%	0.545	57%	0.574	S	S	.	*	H	α-helix	trans	-62	-42.2	174.7	-160.4	85.8	0	0	0	111.2	E5 L6 L11 I12 I13	E5-L9 WeakPolarHBondContact O-CB 3.48Å; E5-L9 PolarHBondContact O-N 3.31Å; L6-L9 PolarHBondContact O-N 2.97Å; L9-L11 PolarHBondContact O-N 3.19Å; L9-I12 PolarHBondContact O-N 2.97Å; L9-I13 HydrophobicContact CD2-CD1 4.32Å; L9-I13 HydrophobicContact CG-CD1 4.25Å; L9-I13 VanDerWaalsContact O-CG1 3.31Å; L9-I13 WeakPolarHBondContact O-CG1 3.47Å; L9-I13 PolarHBondContact O-N 3.49Å
10	F	86.9	Confident	74.7	Confident	124 Å²	124	115.1 Å²	115.1	54%	0.544	56%	0.564	S	S	.	*	H	α-helix	trans	-62.2	-41.8	176.5	-176.2	-103	0	0	0	112.5	L6 Y7 N8 I12 I13 L14	L6-F10 WeakPolarHBondContact O-CB 3.44Å; L6-F10 PolarHBondContact O-N 3.27Å; Y7-F10 PolarHBondContact O-N 3.46Å; N8-F10 VanDerWaalsContact C-N 3.32Å; N8-F10 PolarHBondContact O-N 3.37Å; F10-I12 PolarHBondContact O-N 3.01Å; F10-I13 PolarHBondContact O-N 3.33Å; F10-L14 HydrophobicContact CD1-CD1 3.76Å; F10-L14 HydrophobicContact CE1-CD1 3.28Å; F10-L14 HydrophobicContact CE1-CG 4.22Å; F10-L14 HydrophobicContact CZ-CD1 3.77Å; F10-L14 HydrophobicContact CZ-CG 4.33Å; F10-L14 PolarHBondContact O-N 3.33Å
11	L	85.5	Confident	73.3	Confident	76 Å²	76	116.2 Å²	116.2	40%	0.398	57%	0.568	S	S	.	*	H	α-helix	trans	-64.2	-38.1	175.2	-71.7	179.3	0	0	0	112.8	Y7 N8 L9 L14 S15	Y7-L11 HydrophobicContact CD1-CD1 3.96Å; Y7-L11 HydrophobicContact CD1-CG 4.42Å; Y7-L11 HydrophobicContact CE1-CD1 3.5Å; Y7-L11 HydrophobicContact CE1-CG 4.1Å; Y7-L11 WeakPolarHBondContact O-CG 3.48Å; Y7-L11 PolarHBondContact O-N 3.02Å; N8-L11 PolarHBondContact O-N 2.7Å; L9-L11 PolarHBondContact O-N 3.19Å; L11-L14 PolarHBondContact O-N 3.01Å; L11-S15 PolarHBondContact O-N 3.43Å
12	I	82.5	Confident	72.7	Confident	103 Å²	103	115 Å²	115	53%	0.528	55%	0.554	S	S	.	*	H	α-helix	trans	-65	-45.7	176.3	-67.7	165.4	0	0	0	110.2	N8 L9 F10 L14 S15 Y16	N8-I12 VanDerWaalsContact O-CG1 3.31Å; N8-I12 WeakPolarHBondContact O-CG1 3.31Å; N8-I12 PolarHBondContact O-N 3.47Å; L9-I12 PolarHBondContact O-N 2.97Å; F10-I12 PolarHBondContact O-N 3.01Å; I12-L14 PolarHBondContact O-N 3.5Å; I12-S15 PolarHBondContact O-N 3.49Å; I12-S15 PolarHBondContact O-OG 3.27Å; I12-Y16 PolarHBondContact O-N 3.06Å
13	I	82.8	Confident	71.8	Confident	86 Å²	86	111.5 Å²	111.5	44%	0.441	54%	0.54	S	S	.	.	H	α-helix	trans	-62.7	-42.7	178.6	-66.5	165	0	0	0	111.1	L9 F10 S15 Y16 N17	L9-I13 HydrophobicContact CD2-CD1 4.32Å; L9-I13 HydrophobicContact CG-CD1 4.25Å; L9-I13 VanDerWaalsContact O-CG1 3.31Å; L9-I13 WeakPolarHBondContact O-CG1 3.47Å; L9-I13 PolarHBondContact O-N 3.49Å; F10-I13 PolarHBondContact O-N 3.33Å; I13-S15 VanDerWaalsContact C-N 3.34Å; I13-S15 PolarHBondContact O-N 3.04Å; I13-Y16 PolarHBondContact O-N 3.48Å; I13-N17 PolarHBondContact O-N 3.02Å; I13-N17 PolarHBondContact O-ND2 3.08Å
14	L	80.2	Confident	70.5	Confident	74 Å²	74	111.8 Å²	111.8	39%	0.387	54%	0.539	S	S	.	.	H	α-helix	trans	-60.2	-43	174.2	-89.3	168.6	0	0	0	112.1	F10 L11 I12 Y16 N17 I18	F10-L14 HydrophobicContact CD1-CD1 3.76Å; F10-L14 HydrophobicContact CE1-CD1 3.28Å; F10-L14 HydrophobicContact CE1-CG 4.22Å; F10-L14 HydrophobicContact CZ-CD1 3.77Å; F10-L14 HydrophobicContact CZ-CG 4.33Å; F10-L14 PolarHBondContact O-N 3.33Å; L11-L14 PolarHBondContact O-N 3.01Å; I12-L14 PolarHBondContact O-N 3.5Å; L14-Y16 VanDerWaalsContact C-N 3.31Å; L14-Y16 PolarHBondContact O-N 3.43Å; L14-N17 PolarHBondContact O-N 2.95Å; L14-I18 WeakPolarHBondContact O-CD1 3.32Å; L14-I18 VanDerWaalsContact O-CG1 3.24Å; L14-I18 WeakPolarHBondContact O-CG1 3.45Å; L14-I18 PolarHBondContact O-N 3.32Å
15	S	79.5	Confident	68.7	Low	67 Å²	67	110.6 Å²	110.6	47%	0.469	54%	0.536	S	S	.	.	H	α-helix	trans	-63.6	-37.5	178	76.4	0	0	0	0	112.5	L11 I12 I13 Y19	L11-S15 PolarHBondContact O-N 3.43Å; I12-S15 PolarHBondContact O-N 3.49Å; I12-S15 PolarHBondContact O-OG 3.27Å; I13-S15 VanDerWaalsContact C-N 3.34Å; I13-S15 PolarHBondContact O-N 3.04Å; S15-Y19 WeakPolarHBondContact O-CB 3.39Å; S15-Y19 PolarHBondContact O-N 3.38Å
16	Y	72.3	Confident	67	Low	172 Å²	172	108 Å²	108	68%	0.675	53%	0.527	S	S	*	.	H	α-helix	trans	-71.1	-41	179.2	-132.8	-86.7	0	0	0	111.8	I12 I13 L14 Y19 A20	I12-Y16 PolarHBondContact O-N 3.06Å; I13-Y16 PolarHBondContact O-N 3.48Å; L14-Y16 VanDerWaalsContact C-N 3.31Å; L14-Y16 PolarHBondContact O-N 3.43Å; Y16-Y19 PolarHBondContact O-N 2.83Å; Y16-A20 WeakPolarHBondContact O-CB 3.49Å; Y16-A20 PolarHBondContact O-N 2.97Å
17	N	66.2	Low	64.7	Low	97 Å²	97	106.5 Å²	106.5	52%	0.519	52%	0.524	S	S	.	.	H	α-helix	trans	-66.7	-41.9	176.6	-77.1	-37	0	0	0	112.2	I13 L14 Y19 A20 Q21	I13-N17 PolarHBondContact O-N 3.02Å; I13-N17 PolarHBondContact O-ND2 3.08Å; L14-N17 PolarHBondContact O-N 2.95Å; N17-Y19 VanDerWaalsContact C-N 3.28Å; N17-Y19 PolarHBondContact O-N 3.06Å; N17-A20 PolarHBondContact O-N 3.41Å; N17-Q21 WeakPolarHBondContact O-CB 3.24Å; N17-Q21 PolarHBondContact O-N 3Å
18	I	69.4	Low	62.2	Low	111 Å²	111	106.1 Å²	106.1	57%	0.569	53%	0.531	S	S	*	.	H	α-helix	trans	-61.9	-39.9	174.2	-67.2	166.3	0	0	0	110.3	L14 Y22	L14-I18 WeakPolarHBondContact O-CD1 3.32Å; L14-I18 VanDerWaalsContact O-CG1 3.24Å; L14-I18 WeakPolarHBondContact O-CG1 3.45Å; L14-I18 PolarHBondContact O-N 3.32Å; I18-Y22 WeakPolarHBondContact O-CB 3.37Å; I18-Y22 PolarHBondContact O-N 3.43Å; I18-Y22 VanDerWaalsContact O-N 3.13Å
19	Y	64.9	Low	59.8	Low	155 Å²	155	111.8 Å²	111.8	61%	0.608	55%	0.546	S	S	*	.	H	α-helix	trans	-69.2	-42.1	178.4	-164.4	-103	0	0	0	112.4	S15 Y16 N17 Y22 I23	S15-Y19 WeakPolarHBondContact O-CB 3.39Å; S15-Y19 PolarHBondContact O-N 3.38Å; Y16-Y19 PolarHBondContact O-N 2.83Å; N17-Y19 VanDerWaalsContact C-N 3.28Å; N17-Y19 PolarHBondContact O-N 3.06Å; Y19-Y22 WeakPolarHBondContact O-CB 3.48Å; Y19-Y22 PolarHBondContact O-N 3.23Å; Y19-I23 HydrophobicContact CD1-CD1 3.72Å; Y19-I23 HydrophobicContact CD1-CG1 4.47Å; Y19-I23 HydrophobicContact CE1-CD1 3.28Å; Y19-I23 HydrophobicContact CE1-CG1 4.26Å; Y19-I23 PolarHBondContact O-N 3.13Å
20	A	50.4	Low	57.2	Low	44 Å²	44	112.5 Å²	112.5	36%	0.364	55%	0.55	S	S	.	*	H	α-helix	trans	-62.2	-44.4	176.3	0	0	0	0	0	111.8	Y16 N17 Y22 I23 E24	Y16-A20 WeakPolarHBondContact O-CB 3.49Å; Y16-A20 PolarHBondContact O-N 2.97Å; N17-A20 PolarHBondContact O-N 3.41Å; A20-Y22 PolarHBondContact O-N 3.29Å; A20-I23 PolarHBondContact O-N 3.04Å; A20-I23 VanDerWaalsContact O-N 3.08Å; A20-E24 PolarHBondContact O-N 2Å
21	Q	45.2	Very low	54.3	Low	139 Å²	139	112.8 Å²	112.8	65%	0.65	56%	0.557	S	S	*	*	H	α-helix	trans	-67.1	-27.2	177.7	-153.9	161.1	17.5	0	0	112.4	N17 T25	N17-Q21 WeakPolarHBondContact O-CB 3.24Å; N17-Q21 PolarHBondContact O-N 3Å; Q21-T25 WeakPolarHBondContact O-CG2 3Å; Q21-T25 PolarHBondContact O-OG1 3.33Å
22	Y	46.1	Very low	51.4	Low	168 Å²	168	120.1 Å²	120.1	66%	0.659	58%	0.58	S	S	*	*	H	α-helix	trans	-73.5	-32.4	172.3	-144.5	-93.9	0	0	0	112.6	I18 Y19 A20 T25 L26	I18-Y22 WeakPolarHBondContact O-CB 3.37Å; I18-Y22 PolarHBondContact O-N 3.43Å; I18-Y22 VanDerWaalsContact O-N 3.13Å; Y19-Y22 WeakPolarHBondContact O-CB 3.48Å; Y19-Y22 PolarHBondContact O-N 3.23Å; A20-Y22 PolarHBondContact O-N 3.29Å; Y22-T25 PolarHBondContact O-OG1 2.87Å; Y22-L26 WeakPolarHBondContact O-CD1 2.96Å
23	I	45	Very low	48.7	Very low	87 Å²	87	122.4 Å²	122.4	45%	0.446	59%	0.586	S	S	.	*	H	α-helix	trans	-79.6	-38.5	178.8	-71.1	-179.3	0	0	0	111.8	Y19 A20 T25 L26 P27	Y19-I23 HydrophobicContact CD1-CD1 3.72Å; Y19-I23 HydrophobicContact CD1-CG1 4.47Å; Y19-I23 HydrophobicContact CE1-CD1 3.28Å; Y19-I23 HydrophobicContact CE1-CG1 4.26Å; Y19-I23 PolarHBondContact O-N 3.13Å; A20-I23 PolarHBondContact O-N 3.04Å; A20-I23 VanDerWaalsContact O-N 3.08Å; I23-T25 PolarHBondContact O-N 3.01Å; I23-L26 WeakPolarHBondContact O-CB 3.38Å; I23-L26 PolarHBondContact O-N 2.95Å; I23-P27 WeakPolarHBondContact O-CD 3.39Å
24	E	40.2	Very low	45.8	Very low	160 Å²	160	127.6 Å²	127.6	75%	0.748	61%	0.606	S	S	*	*	H	α-helix	trans	-67.3	-22.2	177	-78.3	-172.2	165.4	0	0	113.3	A20 P27	A20-E24 PolarHBondContact O-N 2Å; E24-P27 WeakPolarHBondContact O-CD 3.41Å
25	T	40.9	Very low	43.2	Very low	76 Å²	76	131.9 Å²	131.9	47%	0.466	62%	0.622	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.9	-2.1	177.1	51.5	0	0	0	0	114.1	Q21 Y22 I23	Q21-T25 WeakPolarHBondContact O-CG2 3Å; Q21-T25 PolarHBondContact O-OG1 3.33Å; Y22-T25 PolarHBondContact O-OG1 2.87Å; I23-T25 PolarHBondContact O-N 3.01Å
26	L	37.3	Very low	40.4	Very low	87 Å²	87	133.7 Å²	133.7	46%	0.455	63%	0.631	S	S	.	*	H	α-helix	trans	-80.3	-31.3	-179.8	-103.8	148.6	0	0	0	115.6	Y22 I23 L30	Y22-L26 WeakPolarHBondContact O-CD1 2.96Å; I23-L26 WeakPolarHBondContact O-CB 3.38Å; I23-L26 PolarHBondContact O-N 2.95Å; L26-L30 HydrophobicContact CD2-CD1 4.36Å
27	P	36	Very low	38	Very low	81 Å²	81	130.6 Å²	130.6	53%	0.526	63%	0.63	S	S	.	*	H	α-helix	trans	-69	-36.9	-179.8	-17.1	31	0	0	0	113.1	I23 E24	I23-P27 WeakPolarHBondContact O-CD 3.39Å; E24-P27 WeakPolarHBondContact O-CD 3.41Å
28	D	32	Very low	36	Very low	135 Å²	135	129.5 Å²	129.5	72%	0.722	63%	0.63	S	S	*	*	H	α-helix	trans	-77.8	-24.5	-175.9	-83.1	-14.5	0	0	0	113.9
29	R	29.4	Very low	33.8	Very low	201 Å²	201	135 Å²	135	76%	0.758	65%	0.645	S	S	*	*	H	α-helix	trans	-81	-19.3	-178.8	-72.4	-169.1	173.7	-166.7	0.6	114
30	L	28.6	Very low	31.8	Very low	119 Å²	119	134 Å²	134	62%	0.623	65%	0.65	S	S	*	*	H	α-helix	trans	-85	-22.1	179.2	-78.5	159.8	0	0	0	113.2	L26 R32	L26-L30 HydrophobicContact CD2-CD1 4.36Å; L30-R32 VanDerWaalsContact C-N 3.31Å; L30-R32 PolarHBondContact O-N 3.33Å
31	N	27.4	Very low	30.4	Very low	130 Å²	130	136.5 Å²	136.5	70%	0.695	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-7.8	-179.4	-80.6	-21.3	0	0	0	115.1
32	R	24.3	Very low	29.4	Very low	230 Å²	230	137.8 Å²	137.8	87%	0.868	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-6.7	174.9	-98.6	-174.7	-163.8	-162	4.3	115.2	L30 K34	L30-R32 VanDerWaalsContact C-N 3.31Å; L30-R32 PolarHBondContact O-N 3.33Å; R32-K34 VanDerWaalsContact C-N 3.29Å; R32-K34 PolarHBondContact O-N 2.93Å
33	F	25.8	Very low	28.5	Very low	152 Å²	152	138.2 Å²	138.2	67%	0.667	68%	0.676	S	S	*	*			trans	-94.6	48.8	174.5	-66.8	-78.4	0	0	0	111.7	F35	F33-F35 VanDerWaalsContact C-N 3.29Å; F33-F35 HydrophobicContact CD1-CE2 4.35Å; F33-F35 PolarHBondContact O-N 2.85Å; F33-F35 VanDerWaalsContact O-N 3.07Å
34	K	21.3	Very low	27.6	Very low	194 Å²	194	142.3 Å²	142.3	84%	0.843	69%	0.693	S	S	*	*			trans	-73.4	89	158.5	-84.2	-177.4	177.3	177.2	0	107.6	R32	R32-K34 VanDerWaalsContact C-N 3.29Å; R32-K34 PolarHBondContact O-N 2.93Å
35	F	25.4	Very low	26.7	Very low	165 Å²	165	145.7 Å²	145.7	72%	0.724	70%	0.701	S	S	*	*			trans	-63.6	128.6	159.7	-81.5	-87.1	0	0	0	107.8	F33 V37	F33-F35 VanDerWaalsContact C-N 3.29Å; F33-F35 HydrophobicContact CD1-CE2 4.35Å; F33-F35 PolarHBondContact O-N 2.85Å; F33-F35 VanDerWaalsContact O-N 3.07Å; F35-V37 PolarHBondContact O-N 3.39Å
36	P	21	Very low	25.9	Very low	104 Å²	104	150 Å²	150	68%	0.675	72%	0.72	S	S	*	*			trans	-64.9	109.7	173.8	25.2	-29.7	0	0	0	108.3	S38	P36-S38 PolarHBondContact O-N 2.97Å
37	V	22.4	Very low	25.2	Very low	107 Å²	107	151.2 Å²	151.2	65%	0.648	73%	0.733	S	S	*	*			trans	-75.6	71.8	167.3	-175.1	0	0	0	0	107.3	F35	F35-V37 PolarHBondContact O-N 3.39Å
38	S	22.4	Very low	24.5	Very low	75 Å²	75	155.3 Å²	155.3	52%	0.524	75%	0.751	S	S	.	*			trans	-116.1	135.5	157	51	0	0	0	0	105	P36	P36-S38 PolarHBondContact O-N 2.97Å
39	Y	24.4	Very low	23.9	Very low	225 Å²	225	155.9 Å²	155.9	88%	0.882	75%	0.752	S	S	*	*			trans	97.9	34.4	-173.4	-57.2	-76.9	0	0	0	117.5
40	L	22.4	Very low	23.6	Very low	135 Å²	135	154 Å²	154	71%	0.707	76%	0.756	S	S	*	*			trans	-121.9	84.4	151.3	-75.1	171.2	0	0	0	109	C779	L40-C779 PolarHBondContact O-SG 2.66Å
41	S	21.6	Very low	23.2	Very low	97 Å²	97	154.4 Å²	154.4	68%	0.678	77%	0.769	S	S	*	*			trans	-152.6	139.3	167.3	171.4	0	0	0	0	106.8
42	E	24	Very low	22.9	Very low	166 Å²	166	152.5 Å²	152.5	78%	0.776	77%	0.766	S	S	*	*			trans	89.3	90.4	176.6	-54.8	-173.4	179	0	0	118
43	K	26	Very low	22.7	Very low	177 Å²	177	146.6 Å²	146.6	77%	0.77	76%	0.76	S	S	*	*				177.6	112.1	90.1	-103.1	176.4	-176.6	177.6	0	112.1
44	H	25.9	Very low	22.5	Very low	172 Å²	172	144.2 Å²	144.2	80%	0.796	76%	0.762	S	S	*	*			trans	0.6	124	153.4	-55.4	-52.3	0	0	0	119.9
45	Y	22.8	Very low	22.4	Very low	231 Å²	231	140.1 Å²	140.1	91%	0.906	76%	0.758	S	S	*	*				-146.9	95.9	127.3	-91.7	-83.3	0	0	0	107.6
46	L	23	Very low	22.1	Very low	166 Å²	166	137.6 Å²	137.6	87%	0.869	76%	0.761	S	S	*	*			trans	-143.6	132.7	159	-101.5	139.7	0	0	0	107.2
47	P	23.5	Very low	22	Very low	114 Å²	114	137.8 Å²	137.8	74%	0.74	76%	0.764	S	S	*	*			trans	-81.8	139.7	-167.9	-0.8	19.8	0	0	0	111.4	I49	P47-I49 PolarHBondContact O-N 2.82Å
48	D	20.7	Very low	21.9	Very low	166 Å²	166	138.5 Å²	138.5	89%	0.888	77%	0.774	S	S	*	*			trans	-60.2	113.6	174.4	-64.9	-48.1	0	0	0	111.6
49	I	19.9	Very low	21.9	Very low	148 Å²	148	139.9 Å²	139.9	76%	0.759	78%	0.784	S	S	*	*			trans	-132.2	123	159.1	-61	176.4	0	0	0	105.7	P47	P47-I49 PolarHBondContact O-N 2.82Å
50	L	21.8	Very low	21.7	Very low	160 Å²	160	139.6 Å²	139.6	84%	0.838	79%	0.788	S	S	*	*			trans	96.4	76.8	175.8	-56.3	156	0	0	0	116.6
51	S	20.3	Very low	21.7	Very low	129 Å²	129	142 Å²	142	90%	0.902	80%	0.795	S	S	*	*			trans	-109.5	92.2	144.3	52.5	0	0	0	0	108.9
52	S	22.2	Very low	21.5	Very low	90 Å²	90	141.1 Å²	141.1	63%	0.629	80%	0.802	S	S	*	*			trans	-137.9	103.8	159.2	64.5	0	0	0	0	109.1
53	S	20.2	Very low	21.5	Very low	105 Å²	105	140.4 Å²	140.4	73%	0.734	81%	0.808	S	S	*	*			trans	59.3	135.8	137.2	55.3	0	0	0	0	121.1
54	S	21	Very low	21.2	Very low	103 Å²	103	138.3 Å²	138.3	72%	0.72	81%	0.81	S	S	*	*			trans	92.6	93.5	141.9	65.2	0	0	0	0	119.5
55	S	18.6	Very low	20.9	Very low	108 Å²	108	134.7 Å²	134.7	76%	0.755	81%	0.809	S	S	*	*				37	121.6	114.9	59.9	0	0	0	0	120.2
56	S	20.5	Very low	20.7	Very low	112 Å²	112	130.1 Å²	130.1	78%	0.783	81%	0.805	S	S	*	*			trans	154.1	103.5	136.4	49.6	0	0	0	0	108.5
57	S	18.5	Very low	20.6	Very low	107 Å²	107	127.6 Å²	127.6	75%	0.748	80%	0.799	S	S	*	*				79.6	131.6	91.2	70.2	0	0	0	0	115.4
58	S	19.4	Very low	20.5	Very low	122 Å²	122	131.6 Å²	131.6	85%	0.853	81%	0.808	S	S	*	*			trans	71.8	133.9	173.6	80	0	0	0	0	114.9
59	S	22.3	Very low	20.6	Very low	105 Å²	105	130.4 Å²	130.4	73%	0.734	81%	0.807	S	S	*	*			cis	-150.2	136	23.3	44.9	0	0	0	0	109
60	K	21.3	Very low	20.6	Very low	219 Å²	219	128.4 Å²	128.4	95%	0.952	81%	0.806	S	S	*	*			trans	-111.9	93.3	168.1	-80.8	-174.2	176.7	-179.1	0	107.2
61	E	21.7	Very low	20.6	Very low	185 Å²	185	127 Å²	127	86%	0.864	80%	0.804	S	S	*	*			trans	-102.9	127.3	163.3	-84.2	179.1	157.3	0	0	108.6
62	G	18.7	Very low	20.9	Very low	79 Å²	79	125.8 Å²	125.8	81%	0.814	79%	0.793	S	S	*	*			trans	-77.1	155.1	-176.4	0	0	0	0	0	112.9
63	V	22.6	Very low	20.8	Very low	150 Å²	150	130.7 Å²	130.7	91%	0.909	81%	0.806	S	S	*	*			trans	-126.6	131.2	160	178.5	0	0	0	0	108.2
64	V	19.9	Very low	20.8	Very low	133 Å²	133	133.6 Å²	133.6	81%	0.806	81%	0.812	S	S	*	*			trans	-69.1	141	-169.1	170.3	0	0	0	0	112.1
65	A	19.2	Very low	20.8	Very low	96 Å²	96	134.4 Å²	134.4	79%	0.793	81%	0.813	S	S	*	*			trans	-76.4	134.5	172.3	0	0	0	0	0	111.1
66	V	19.5	Very low	21	Very low	135 Å²	135	135 Å²	135	82%	0.818	82%	0.818	S	S	*	*			trans	-104.7	134.7	167	178.6	0	0	0	0	108.2
67	P	21.1	Very low	21.1	Very low	114 Å²	114	134.7 Å²	134.7	74%	0.74	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-85	145	-165.4	2	17.2	0	0	0	113.1
68	E	21.4	Very low	21.3	Very low	197 Å²	197	134.9 Å²	134.9	92%	0.921	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-70.4	123.8	172.3	-67.7	173.7	156.5	0	0	111
69	T	21.8	Very low	21.5	Very low	142 Å²	142	134.4 Å²	134.4	87%	0.871	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-85.3	122.7	165.9	48.4	0	0	0	0	110.2
70	S	19.7	Very low	21.6	Very low	106 Å²	106	134.4 Å²	134.4	74%	0.741	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-54.8	164.3	173	48	0	0	0	0	116.6
71	V	22.8	Very low	21.7	Very low	130 Å²	130	130.6 Å²	130.6	79%	0.788	81%	0.805	S	S	*	*			trans	107	135.4	151.2	-174	0	0	0	0	115.7
72	P	27.1	Very low	21.9	Very low	104 Å²	104	129.6 Å²	129.6	68%	0.675	80%	0.798	S	S	*	*			cis	-132.8	167	-29.9	33.9	-14.9	0	0	0	115	L74	P72-L74 PolarHBondContact O-N 3.01Å
73	E	18.6	Very low	22.3	Very low	192 Å²	192	130 Å²	130	90%	0.897	79%	0.786	S	S	*	*			trans	-56.3	120.6	167.2	-70.6	167.3	135.4	0	0	112.6
74	L	22.1	Very low	22.6	Very low	167 Å²	167	127 Å²	127	87%	0.874	77%	0.773	S	S	*	*			trans	-94.6	110.4	158.7	-107.2	94.1	0	0	0	109.2	P72 S76	P72-L74 PolarHBondContact O-N 3.01Å; L74-S76 PolarHBondContact O-N 3.29Å
75	T	21	Very low	23.3	Very low	119 Å²	119	127.3 Å²	127.3	73%	0.73	76%	0.763	S	S	*	*			trans	-59.2	125.8	171.3	49.2	0	0	0	0	111.7	S77	T75-S77 PolarHBondContact O-N 3.21Å
76	S	21.8	Very low	23.8	Very low	122 Å²	122	126.5 Å²	126.5	85%	0.853	75%	0.745	S	S	*	*			trans	-1.3	97.1	152.7	58.2	0	0	0	0	117.3	L74	L74-S76 PolarHBondContact O-N 3.29Å
77	S	23.7	Very low	24.2	Very low	104 Å²	104	127.3 Å²	127.3	73%	0.727	74%	0.737	S	S	*	*			trans	-119.5	108.4	155.3	65.9	0	0	0	0	109.5	T75	T75-S77 PolarHBondContact O-N 3.21Å
78	S	22.8	Very low	24.7	Very low	112 Å²	112	126.3 Å²	126.3	78%	0.783	73%	0.726	S	S	*	*			trans	23.9	99.1	153	57.9	0	0	0	0	117
79	S	21.8	Very low	24.9	Very low	112 Å²	112	124 Å²	124	78%	0.783	71%	0.712	S	S	*	*			trans	-61.9	130.9	160.1	-53.6	0	0	0	0	109.2	V81	S79-V81 PolarHBondContact O-N 2.99Å
80	P	24.6	Very low	25.3	Very low	104 Å²	104	122 Å²	122	68%	0.675	70%	0.695	S	S	*	*			trans	-64.4	130.3	-176.1	24.3	-31.5	0	0	0	110.7	F82	P80-F82 PolarHBondContact O-N 3.18Å
81	V	24.5	Very low	25.7	Very low	139 Å²	139	122.4 Å²	122.4	84%	0.842	69%	0.686	S	S	*	*			trans	-61.6	101.3	176.6	177.9	0	0	0	0	108.7	S79 P83	S79-V81 PolarHBondContact O-N 2.99Å; V81-P83 WeakPolarHBondContact O-CD 3.46Å
82	F	24.9	Very low	26.1	Very low	165 Å²	165	125.4 Å²	125.4	72%	0.724	68%	0.683	S	S	*	*			trans	-70.8	124	170.5	-88.4	-86.7	0	0	0	109.6	P80 S84	P80-F82 PolarHBondContact O-N 3.18Å; F82-S84 PolarHBondContact O-N 3.06Å
83	P	27.8	Very low	26	Very low	86 Å²	86	128.4 Å²	128.4	56%	0.558	69%	0.685	S	S	*	*			trans	-60.1	132.9	-179.9	-22.8	32.8	0	0	0	112	V81 F85 I86	V81-P83 WeakPolarHBondContact O-CD 3.46Å; P83-F85 PolarHBondContact O-N 3.23Å; P83-I86 PolarHBondContact O-N 3.39Å
84	S	29.6	Very low	26.5	Very low	89 Å²	89	125.3 Å²	125.3	62%	0.622	67%	0.669	S	S	*	*	H	α-helix	trans	-51.6	-19.4	-174.4	54.6	0	0	0	0	115.6	F82 I86 K87 N88	F82-S84 PolarHBondContact O-N 3.06Å; S84-I86 PolarHBondContact O-N 2.87Å; S84-K87 PolarHBondContact O-N 3.3Å; S84-N88 PolarHBondContact O-N 2.64Å
85	F	33.2	Very low	26.9	Very low	138 Å²	138	120.6 Å²	120.6	61%	0.605	65%	0.65	S	S	*	*	H	α-helix	trans	-64.9	-33.2	-178.2	119.3	-96.3	0	0	0	113.5	P83	P83-F85 PolarHBondContact O-N 3.23Å
86	I	29.2	Very low	27.2	Very low	79 Å²	79	120.5 Å²	120.5	41%	0.405	65%	0.645	S	S	.	*	H	α-helix	trans	-76.7	-38.3	179.9	-59.8	-178.2	0	0	0	110.9	P83 S84 N88 K89 I90	P83-I86 PolarHBondContact O-N 3.39Å; S84-I86 PolarHBondContact O-N 2.87Å; I86-N88 VanDerWaalsContact C-N 3.33Å; I86-N88 PolarHBondContact O-N 2.85Å; I86-K89 PolarHBondContact O-N 2.86Å; I86-I90 HydrophobicContact CG2-CD1 4.01Å; I86-I90 PolarHBondContact O-N 2.81Å
87	K	28.7	Very low	27.5	Very low	152 Å²	152	121.3 Å²	121.3	66%	0.661	63%	0.633	S	S	*	*	H	α-helix	trans	-59.3	-44	178.1	-162.4	176.2	-176.7	179.2	0	111.3	S84 K89 I90 Q91	S84-K87 PolarHBondContact O-N 3.3Å; K87-K89 VanDerWaalsContact C-N 3.35Å; K87-K89 PolarHBondContact O-N 2.8Å; K87-I90 PolarHBondContact O-N 2.9Å; K87-Q91 WeakPolarHBondContact O-CB 3.32Å; K87-Q91 PolarHBondContact O-N 3.26Å
88	N	30.8	Very low	27.6	Very low	94 Å²	94	122 Å²	122	50%	0.503	63%	0.625	S	S	.	*	H	α-helix	trans	-68.3	-30.3	-179.5	-70.9	-15.1	0	0	0	113.5	S84 I86 R92	S84-N88 PolarHBondContact O-N 2.64Å; I86-N88 VanDerWaalsContact C-N 3.33Å; I86-N88 PolarHBondContact O-N 2.85Å; N88-R92 PolarHBondContact O-N 3.42Å; N88-R92 VanDerWaalsContact O-N 3.09Å
89	K	26.2	Very low	28	Very low	147 Å²	147	122.8 Å²	122.8	64%	0.639	62%	0.621	S	S	*	*	H	α-helix	trans	-76.6	-36.1	179.9	-152.4	173.6	-173.3	177.8	0	112.1	I86 K87 K93	I86-K89 PolarHBondContact O-N 2.86Å; K87-K89 VanDerWaalsContact C-N 3.35Å; K87-K89 PolarHBondContact O-N 2.8Å; K89-K93 PolarHBondContact O-N 3.31Å
90	I	29.5	Very low	28.2	Very low	100 Å²	100	125.3 Å²	125.3	51%	0.513	62%	0.617	S	S	.	*	H	α-helix	trans	-69.7	-42.3	173.8	-64.4	171.4	0	0	0	110.2	I86 K87 R92 K93 F94	I86-I90 HydrophobicContact CG2-CD1 4.01Å; I86-I90 PolarHBondContact O-N 2.81Å; K87-I90 PolarHBondContact O-N 2.9Å; I90-R92 PolarHBondContact O-N 2.81Å; I90-K93 PolarHBondContact O-N 2.63Å; I90-F94 HydrophobicContact CG2-CD2 4.33Å; I90-F94 PolarHBondContact O-N 2.77Å
91	Q	29.9	Very low	28.3	Very low	116 Å²	116	127.8 Å²	127.8	54%	0.542	62%	0.618	S	S	.	*	H	α-helix	trans	-67.1	-35.9	-179.4	-154.7	158.3	-6.6	0	0	112.5	K87 S95	K87-Q91 WeakPolarHBondContact O-CB 3.32Å; K87-Q91 PolarHBondContact O-N 3.26Å; Q91-S95 PolarHBondContact O-N 3.43Å; Q91-S95 PolarHBondContact O-OG 3.34Å
92	R	30	Very low	28.3	Very low	192 Å²	192	130.1 Å²	130.1	73%	0.725	61%	0.613	S	S	*	*	H	α-helix	trans	-64.6	-44.6	171	-83.9	-175.4	-172.1	157.5	4.3	113	N88 I90 F94 S95 D96	N88-R92 PolarHBondContact O-N 3.42Å; N88-R92 VanDerWaalsContact O-N 3.09Å; I90-R92 PolarHBondContact O-N 2.81Å; R92-F94 VanDerWaalsContact C-N 3.33Å; R92-F94 PolarHBondContact O-N 3.17Å; R92-S95 PolarHBondContact O-N 2.67Å; R92-D96 PolarHBondContact O-N 3.39Å
93	K	24.8	Very low	28.5	Very low	167 Å²	167	129.9 Å²	129.9	73%	0.726	61%	0.612	S	S	*	*	H	α-helix	trans	-66.2	-33.4	178.1	-91.2	-171.5	172.9	-173.4	0	112.8	K89 I90 F97	K89-K93 PolarHBondContact O-N 3.31Å; I90-K93 PolarHBondContact O-N 2.63Å; K93-F97 PolarHBondContact O-N 2.92Å
94	F	29.5	Very low	28.4	Very low	128 Å²	128	132.4 Å²	132.4	56%	0.561	62%	0.621	S	S	*	*	H	α-helix	trans	-72.8	-39.6	175.4	-109.7	-87.2	0	0	0	112.7	I90 R92 F97 H98	I90-F94 HydrophobicContact CG2-CD2 4.33Å; I90-F94 PolarHBondContact O-N 2.77Å; R92-F94 VanDerWaalsContact C-N 3.33Å; R92-F94 PolarHBondContact O-N 3.17Å; F94-F97 PolarHBondContact O-N 2.62Å; F94-H98 PolarHBondContact O-CD2 3.49Å; F94-H98 PolarHBondContact O-N 2.04Å; F94-H98 VanDerWaalsContact O-N 3.09Å
95	S	30.6	Very low	28	Very low	67 Å²	67	134.8 Å²	134.8	47%	0.469	63%	0.626	S	S	.	*	H	α-helix	trans	-64.1	-41.2	174.6	-74.3	0	0	0	0	112.6	Q91 R92 F97 H98 D99	Q91-S95 PolarHBondContact O-N 3.43Å; Q91-S95 PolarHBondContact O-OG 3.34Å; R92-S95 PolarHBondContact O-N 2.67Å; S95-F97 PolarHBondContact O-N 3.32Å; S95-H98 PolarHBondContact O-N 3.44Å; S95-D99 PolarHBondContact O-N 2.9Å
96	D	27.7	Very low	27.6	Very low	117 Å²	117	132.4 Å²	132.4	63%	0.626	63%	0.632	S	S	*	*	H	α-helix	trans	-66.7	-26.1	176.8	-71.6	-14.2	0	0	0	112.6	R92	R92-D96 PolarHBondContact O-N 3.39Å
97	F	27.6	Very low	27.3	Very low	139 Å²	139	133.3 Å²	133.3	61%	0.61	65%	0.645	S	S	*	*	H	α-helix	trans	-77.5	-39.8	176.2	-171.5	-98.7	0	0	0	112.3	K93 F94 S95 K100	K93-F97 PolarHBondContact O-N 2.92Å; F94-F97 PolarHBondContact O-N 2.62Å; S95-F97 PolarHBondContact O-N 3.32Å; F97-K100 PolarHBondContact O-N 3.5Å
98	H	26	Very low	27.1	Very low	118 Å²	118	131.9 Å²	131.9	55%	0.546	65%	0.649	S	S	.	*	H	α-helix	trans	-68.3	-34.5	179.6	-89.3	-72.5	0	0	0	113.6	F94 S95 K100	F94-H98 PolarHBondContact O-CD2 3.49Å; F94-H98 PolarHBondContact O-N 2.04Å; F94-H98 VanDerWaalsContact O-N 3.09Å; S95-H98 PolarHBondContact O-N 3.44Å; H98-K100 PolarHBondContact O-N 3.28Å
99	D	31.6	Very low	26.7	Very low	130 Å²	130	135.6 Å²	135.6	70%	0.695	67%	0.668	S	S	*	*	H	α-helix	trans	-69.2	-16.3	178.1	-86.4	-16.2	0	0	0	113.3	S95	S95-D99 PolarHBondContact O-N 2.9Å
100	K	26.3	Very low	26.6	Very low	165 Å²	165	134.1 Å²	134.1	72%	0.717	68%	0.676	S	S	*	*	H	α-helix	trans	-97.9	-21.9	-169.5	-145.6	168.7	-172	176.8	0	115.3	F97 H98	F97-K100 PolarHBondContact O-N 3.5Å; H98-K100 PolarHBondContact O-N 3.28Å
101	F	26.9	Very low	26.2	Very low	156 Å²	156	133.7 Å²	133.7	68%	0.684	69%	0.688	S	S	*	*	H	α-helix	trans	-141.4	-1.7	-167.7	-91.1	-77.5	0	0	0	120.6
102	Y	23.8	Very low	25.8	Very low	187 Å²	187	132.9 Å²	132.9	73%	0.733	70%	0.695	S	S	*	*			trans	-138.1	93.6	177.6	-87.2	-89.4	0	0	0	113.3
103	F	29.2	Very low	25.5	Very low	161 Å²	161	130.1 Å²	130.1	71%	0.706	69%	0.694	S	S	*	*			trans	-132.2	50	158.1	-85.1	-75.3	0	0	0	109.9
104	D	24.8	Very low	25.2	Very low	139 Å²	139	127.6 Å²	127.6	74%	0.743	70%	0.698	S	S	*	*	S	Bend	trans	-113.5	127.1	151.9	-75.2	-41.1	0	0	0	105.5
105	D	22.5	Very low	24.9	Very low	139 Å²	139	131.2 Å²	131.2	74%	0.743	71%	0.714	S	S	*	*			trans	82.7	44	177.4	-56.3	-25.7	0	0	0	120.6	S107	D105-S107 PolarHBondContact O-N 2.74Å; D105-S107 VanDerWaalsContact O-N 3.1Å
106	A	24.1	Very low	24.4	Very low	87 Å²	87	132.7 Å²	132.7	72%	0.719	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	32.5	162.9	0	0	0	0	0	114.4
107	S	23.7	Very low	24.2	Very low	98 Å²	98	132.8 Å²	132.8	69%	0.685	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.2	6	-179.7	61.3	0	0	0	0	115.7	D105	D105-S107 PolarHBondContact O-N 2.74Å; D105-S107 VanDerWaalsContact O-N 3.1Å
108	V	23.9	Very low	23.8	Very low	122 Å²	122	132 Å²	132	74%	0.739	74%	0.74	S	S	*	*	S	Bend	trans	-109.8	-12.6	-177.4	-176.3	0	0	0	0	114.6	S110	V108-S110 PolarHBondContact O-N 3.38Å
109	L	23	Very low	23.6	Very low	173 Å²	173	133.2 Å²	133.2	91%	0.906	75%	0.75	S	S	*	*	S	Bend	trans	-91.9	21.3	-173.6	-74.9	170.4	0	0	0	116.6
110	S	22.4	Very low	23	Very low	115 Å²	115	135.1 Å²	135.1	80%	0.804	76%	0.761	S	S	*	*			trans	-114.9	59.8	173.4	71.5	0	0	0	0	112.3	V108	V108-S110 PolarHBondContact O-N 3.38Å
111	A	21.7	Very low	22.7	Very low	92 Å²	92	135.2 Å²	135.2	76%	0.76	77%	0.768	S	S	*	*			trans	-156.7	59	172.3	0	0	0	0	0	113.1
112	S	21.4	Very low	22.4	Very low	99 Å²	99	133 Å²	133	69%	0.692	77%	0.769	S	S	*	*			trans	-163.2	105.6	167.6	40.6	0	0	0	0	110.3
113	N	23	Very low	22.2	Very low	133 Å²	133	131.1 Å²	131.1	71%	0.711	78%	0.777	S	S	*	*			trans	169.6	74.4	145.6	-84.6	-15.7	0	0	0	110.3	R371	N113-R371 PolarHBondContact O-NH2 2.91Å
114	S	19.7	Very low	21.6	Very low	114 Å²	114	130.2 Å²	130.2	80%	0.797	78%	0.78	S	S	*	*			trans	-126.3	86.4	156.8	56.2	0	0	0	0	107.5
115	F	22.8	Very low	21.3	Very low	205 Å²	205	128.4 Å²	128.4	90%	0.899	78%	0.778	S	S	*	*			trans	-102.9	114.2	162.7	-125.8	-86.6	0	0	0	107.6	S117	F115-S117 PolarHBondContact O-N 2.77Å
116	S	19.2	Very low	21.1	Very low	98 Å²	98	130.8 Å²	130.8	69%	0.685	78%	0.782	S	S	*	*			trans	-70.2	107.5	162.8	45.6	0	0	0	0	108.3	V118	S116-V118 PolarHBondContact O-N 2.04Å
117	S	23.6	Very low	20.8	Very low	119 Å²	119	133 Å²	133	83%	0.832	79%	0.787	S	S	*	*			trans	-89.3	97.1	165.8	53.1	0	0	0	0	108.5	F115	F115-S117 PolarHBondContact O-N 2.77Å
118	V	19.1	Very low	20.7	Very low	121 Å²	121	135.1 Å²	135.1	73%	0.733	80%	0.795	S	S	*	*			trans	-77.8	117.3	157.9	175.2	0	0	0	0	106.2	S116	S116-V118 PolarHBondContact O-N 2.04Å
119	N	22.8	Very low	20.4	Very low	144 Å²	144	136.7 Å²	136.7	77%	0.77	80%	0.799	S	S	*	*			trans	161.4	84.8	147.3	-82.2	-9.3	0	0	0	109
120	N	19.6	Very low	20.2	Very low	171 Å²	171	135.6 Å²	135.6	91%	0.914	80%	0.795	S	S	*	*			trans	-97.6	117.3	156.8	-82.2	-15.7	0	0	0	106.9
121	L	19	Very low	20.2	Very low	166 Å²	166	137 Å²	137	87%	0.869	79%	0.793	S	S	*	*			trans	-132	137.2	154.6	-102.6	136.3	0	0	0	107.9
122	P	20.4	Very low	20.2	Very low	110 Å²	110	138.5 Å²	138.5	71%	0.714	80%	0.795	S	S	*	*			trans	-99.6	136.1	-151	35.2	-26.8	0	0	0	111.7
123	V	19.3	Very low	20.1	Very low	148 Å²	148	139.9 Å²	139.9	90%	0.897	80%	0.799	S	S	*	*			trans	-102.7	115	165.2	-179.9	0	0	0	0	108.6
124	N	17.6	Very low	19.9	Very low	141 Å²	141	139.6 Å²	139.6	75%	0.754	80%	0.803	S	S	*	*			trans	-73	150.5	176	-94.5	-23.4	0	0	0	112.1
125	S	18.8	Very low	19.8	Very low	102 Å²	102	141.4 Å²	141.4	71%	0.713	80%	0.802	S	S	*	*			trans	99.7	122.1	134.2	74.5	0	0	0	0	121.2
126	K	18.3	Very low	19.5	Very low	188 Å²	188	137.3 Å²	137.3	82%	0.817	79%	0.793	S	S	*	*			trans	85.9	96.9	132.9	-73.6	173.4	-178.8	-175.2	0	119.7
127	T	17.2	Very low	19.4	Very low	134 Å²	134	137.9 Å²	137.9	82%	0.822	79%	0.793	S	S	*	*			trans	-12.5	124.7	131.2	52.3	0	0	0	0	116.5
128	V	21.5	Very low	19.2	Very low	143 Å²	143	138.4 Å²	138.4	87%	0.867	79%	0.792	S	S	*	*			trans	-146.1	138.7	151.2	177.7	0	0	0	0	109.3
129	D	18.3	Very low	19.2	Very low	154 Å²	154	140.5 Å²	140.5	82%	0.824	80%	0.799	S	S	*	*			trans	-71.2	161.4	-170.5	-69.9	-58.8	0	0	0	117
130	N	19	Very low	19.2	Very low	151 Å²	151	140.8 Å²	140.8	81%	0.807	80%	0.8	S	S	*	*			trans	-57.7	124.5	172.7	-63.1	-44.2	0	0	0	113.5
131	N	21.2	Very low	19.4	Very low	145 Å²	145	139.5 Å²	139.5	78%	0.775	79%	0.793	S	S	*	*				-173.5	144.7	123.3	-96.8	-21.3	0	0	0	112.1	T133	N131-T133 PolarHBondContact O-N 2.93Å
132	P	21.8	Very low	19.6	Very low	122 Å²	122	138.3 Å²	138.3	79%	0.792	79%	0.788	S	S	*	*			trans	-81.8	111.2	-172	32.1	-30.3	0	0	0	110.3
133	T	19.4	Very low	19.7	Very low	129 Å²	129	140 Å²	140	79%	0.791	79%	0.791	S	S	*	*			trans	-97.5	119.4	167.4	-2	0	0	0	0	109.3	N131 I135	N131-T133 PolarHBondContact O-N 2.93Å; T133-I135 PolarHBondContact O-N 3.27Å
134	T	18.4	Very low	19.9	Very low	127 Å²	127	140.8 Å²	140.8	78%	0.779	79%	0.79	S	S	*	*			trans	-52.2	115	167.6	-39.7	0	0	0	0	109.7
135	I	18.5	Very low	20.2	Very low	151 Å²	151	137.5 Å²	137.5	77%	0.774	79%	0.789	S	S	*	*			trans	-107.9	93.8	166.1	-58.3	176.6	0	0	0	107.2	T133	T133-I135 PolarHBondContact O-N 3.27Å
136	T	16.9	Very low	20.2	Very low	119 Å²	119	138.1 Å²	138.1	73%	0.73	79%	0.794	S	S	*	*			trans	-74.3	127.8	147.6	25.9	0	0	0	0	107.9
137	T	17.6	Very low	20.4	Very low	111 Å²	111	136.1 Å²	136.1	68%	0.681	79%	0.792	S	S	*	*			trans	174	105.4	148	24.9	0	0	0	0	109.1
138	T	18.4	Very low	20.5	Very low	130 Å²	130	138.2 Å²	138.2	80%	0.798	79%	0.792	S	S	*	*				92.4	109.9	103.7	50.6	0	0	0	0	113.8
139	N	19.9	Very low	20.4	Very low	165 Å²	165	138.1 Å²	138.1	88%	0.882	79%	0.785	S	S	*	*			trans	-46.8	132.1	155.2	-89.2	-16.6	0	0	0	111
140	N	22	Very low	20.5	Very low	150 Å²	150	137.1 Å²	137.1	80%	0.802	78%	0.779	S	S	*	*			trans	-102.5	127.4	144.8	-94.1	-17.3	0	0	0	107.2
141	N	23.6	Very low	20.6	Very low	144 Å²	144	136.8 Å²	136.8	77%	0.77	78%	0.776	S	S	*	*	S	Bend	trans	13	120.8	137.3	-71.3	-11	0	0	0	115.3
142	N	23	Very low	20.7	Very low	140 Å²	140	136.4 Å²	136.4	75%	0.749	77%	0.774	S	S	*	*			cis	-146.5	153.4	37.7	-83.2	-30.8	0	0	0	112.8
143	N	24.2	Very low	20.7	Very low	147 Å²	147	133.8 Å²	133.8	79%	0.786	77%	0.768	S	S	*	*			trans	103.6	99.5	161.9	-60.1	-18.9	0	0	0	117.3
144	N	23.2	Very low	20.9	Very low	163 Å²	163	135.1 Å²	135.1	87%	0.872	77%	0.769	S	S	*	*				36.7	120.6	120.2	-66.7	-7.8	0	0	0	118.2
145	G	22.4	Very low	21.2	Very low	72 Å²	72	135.1 Å²	135.1	74%	0.742	76%	0.764	S	S	*	*			trans	95.7	75.4	146.8	0	0	0	0	0	114.7	N147	G145-N147 PolarHBondContact O-N 3.23Å
146	S	19.1	Very low	21.6	Very low	115 Å²	115	135.3 Å²	135.3	80%	0.804	77%	0.767	S	S	*	*			trans	-54.7	102.7	148.2	48.6	0	0	0	0	109.7
147	N	22.3	Very low	22	Very low	146 Å²	146	135.4 Å²	135.4	78%	0.781	76%	0.763	S	S	*	*			trans	-122.9	98.7	154.5	-88.4	-15.7	0	0	0	107.5	G145 I149	G145-N147 PolarHBondContact O-N 3.23Å; N147-I149 PolarHBondContact O-N 2.97Å
148	E	20.3	Very low	22.4	Very low	178 Å²	178	137.1 Å²	137.1	83%	0.832	77%	0.767	S	S	*	*			trans	-57.1	115.1	164.9	-71.3	175.2	139.6	0	0	109
149	I	20.2	Very low	22.8	Very low	141 Å²	141	139 Å²	139	72%	0.723	77%	0.767	S	S	*	*			trans	-108.4	95.4	164	-54.1	-179.3	0	0	0	107.1	N147 I151	N147-I149 PolarHBondContact O-N 2.97Å; I149-I151 HydrophobicContact CG2-CD1 4.12Å; I149-I151 HydrophobicContact CG2-CG1 3.72Å; I149-I151 PolarHBondContact O-N 2.9Å
150	I	20.2	Very low	23	Very low	133 Å²	133	135.7 Å²	135.7	68%	0.682	75%	0.753	S	S	*	*			trans	-70.3	102.6	168.6	-59.2	169.8	0	0	0	107.1
151	I	20.8	Very low	23.3	Very low	145 Å²	145	132 Å²	132	74%	0.744	74%	0.739	S	S	*	*			trans	-104.4	98	165.5	-52.2	-175.4	0	0	0	107.3	I149 G153	I149-I151 HydrophobicContact CG2-CD1 4.12Å; I149-I151 HydrophobicContact CG2-CG1 3.72Å; I149-I151 PolarHBondContact O-N 2.9Å; I151-G153 PolarHBondContact O-N 2.84Å
152	N	22.2	Very low	23.5	Very low	137 Å²	137	132.7 Å²	132.7	73%	0.733	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-57	119.8	171	-75.2	-26.2	0	0	0	109.5	I154	N152-I154 PolarHBondContact O-N 3.48Å
153	G	23.1	Very low	23.7	Very low	66 Å²	66	132 Å²	132	68%	0.68	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-58.9	122	177.2	0	0	0	0	0	111.4	I151 N155	I151-G153 PolarHBondContact O-N 2.84Å; G153-N155 PolarHBondContact O-N 2.66Å
154	I	22.8	Very low	24.1	Very low	158 Å²	158	134.3 Å²	134.3	81%	0.81	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-67.8	117.1	169.3	-66	170.9	0	0	0	107.3	N152 D156	N152-I154 PolarHBondContact O-N 3.48Å; I154-D156 PolarHBondContact O-N 3.32Å
155	N	25.4	Very low	24.5	Very low	127 Å²	127	133.5 Å²	133.5	68%	0.679	71%	0.714	S	S	*	*			trans	-62.9	108.8	-178.6	-79.1	-42.4	0	0	0	112.3	G153 N157	G153-N155 PolarHBondContact O-N 2.66Å; N155-N157 PolarHBondContact O-N 3.32Å
156	D	25.3	Very low	24.9	Very low	154 Å²	154	135.9 Å²	135.9	82%	0.824	70%	0.704	S	S	*	*			trans	-72.3	25.9	173.4	-86	-27.1	0	0	0	114.7	I154 L158	I154-D156 PolarHBondContact O-N 3.32Å; D156-L158 VanDerWaalsContact C-N 3.32Å; D156-L158 PolarHBondContact O-N 3.07Å
157	N	26.6	Very low	25.5	Very low	122 Å²	122	137.1 Å²	137.1	65%	0.652	70%	0.697	S	S	*	*			trans	-84.6	5.7	-178.9	-81.5	-16.8	0	0	0	114.8	N155	N155-N157 PolarHBondContact O-N 3.32Å
158	L	26.4	Very low	26.4	Very low	146 Å²	146	136.7 Å²	136.7	76%	0.764	69%	0.69	S	S	*	*	H	α-helix	trans	-89.2	-26.3	-173.8	-92.2	139.6	0	0	0	115.2	D156	D156-L158 VanDerWaalsContact C-N 3.32Å; D156-L158 PolarHBondContact O-N 3.07Å
159	Q	25.4	Very low	27.1	Very low	171 Å²	171	135 Å²	135	80%	0.799	68%	0.682	S	S	*	*	H	α-helix	trans	-85.9	-31.4	-176.8	-86.6	-178.3	-21.6	0	0	114.6
160	T	25.6	Very low	27.9	Very low	95 Å²	95	133.3 Å²	133.3	58%	0.583	67%	0.674	S	S	*	*	H	α-helix	trans	-79.2	-33	-180	49.8	0	0	0	0	112.5	W164	T160-W164 PolarHBondContact O-N 3Å
161	S	27.1	Very low	28.8	Very low	73 Å²	73	130.7 Å²	130.7	51%	0.51	66%	0.661	S	S	.	*	H	α-helix	trans	-62.3	-40.4	175.9	169.8	0	0	0	0	113	L163 W164 K165	S161-L163 PolarHBondContact O-N 3.23Å; S161-W164 PolarHBondContact O-N 3.18Å; S161-K165 PolarHBondContact O-N 3.46Å; S161-K165 VanDerWaalsContact O-N 3.1Å
162	Y	27.1	Very low	29.6	Very low	158 Å²	158	127.1 Å²	127.1	62%	0.62	65%	0.648	S	S	*	*	H	α-helix	trans	-66.6	-37.1	-177	-171.1	-98	0	0	0	113	K166	Y162-K166 PolarHBondContact O-N 2.68Å
163	L	27.7	Very low	30.5	Very low	125 Å²	125	127.3 Å²	127.3	65%	0.654	64%	0.639	S	S	*	*	H	α-helix	trans	-72.7	-38.4	179.8	-74	167.3	0	0	0	112.3	S161	S161-L163 PolarHBondContact O-N 3.23Å
164	W	32.9	Very low	31.3	Very low	195 Å²	195	133.3 Å²	133.3	74%	0.739	64%	0.641	S	S	*	*	H	α-helix	trans	-70.1	-34.9	177.3	-89.8	66.4	0	0	0	113	T160 S161 K166 E167 H168	T160-W164 PolarHBondContact O-N 3Å; S161-W164 PolarHBondContact O-N 3.18Å; W164-K166 VanDerWaalsContact C-N 3.34Å; W164-K166 PolarHBondContact O-N 2.94Å; W164-E167 PolarHBondContact O-N 3.21Å; W164-H168 PolarHBondContact O-N 3.31Å
165	K	31.6	Very low	32.4	Very low	147 Å²	147	132 Å²	132	64%	0.639	63%	0.631	S	S	*	*	H	α-helix	trans	-66.5	-36.4	178.2	-149.6	173	-173	179.6	0	112.1	S161 E167 H168 E169	S161-K165 PolarHBondContact O-N 3.46Å; S161-K165 VanDerWaalsContact O-N 3.1Å; K165-E167 VanDerWaalsContact C-N 3.32Å; K165-E167 PolarHBondContact O-N 2.86Å; K165-H168 PolarHBondContact O-N 2.73Å; K165-E169 PolarHBondContact O-N 3.47Å
166	K	30.8	Very low	32.9	Very low	122 Å²	122	132.9 Å²	132.9	53%	0.53	63%	0.625	S	S	.	*	H	α-helix	trans	-68.8	-29	178.7	-141.9	178.4	-172.1	177.5	0	113.1	Y162 W164	Y162-K166 PolarHBondContact O-N 2.68Å; W164-K166 VanDerWaalsContact C-N 3.34Å; W164-K166 PolarHBondContact O-N 2.94Å
167	E	32.4	Very low	33.5	Very low	140 Å²	140	130.3 Å²	130.3	65%	0.654	61%	0.61	S	S	*	*	H	α-helix	trans	-74.2	-32.6	177.9	-160.2	161.1	-162.2	0	0	112	W164 K165 L170	W164-E167 PolarHBondContact O-N 3.21Å; K165-E167 VanDerWaalsContact C-N 3.32Å; K165-E167 PolarHBondContact O-N 2.86Å; E167-L170 PolarHBondContact O-N 3.31Å
168	H	39.6	Very low	34.1	Very low	138 Å²	138	126.3 Å²	126.3	64%	0.639	59%	0.594	S	S	*	*	H	α-helix	trans	-73.1	-30.8	174.8	-111	-86.3	0	0	0	113.7	W164 K165 L170 N171	W164-H168 PolarHBondContact O-N 3.31Å; K165-H168 PolarHBondContact O-N 2.73Å; H168-L170 VanDerWaalsContact C-N 3.27Å; H168-L170 PolarHBondContact O-N 2.83Å; H168-N171 WeakPolarHBondContact O-CB 3.19Å; H168-N171 PolarHBondContact O-N 2.75Å
169	E	35.8	Very low	34.9	Very low	141 Å²	141	124.9 Å²	124.9	66%	0.659	58%	0.584	S	S	*	*	H	α-helix	trans	-69.4	-21.3	175.4	-74.1	-177.6	174.1	0	0	113.5	K165 P172	K165-E169 PolarHBondContact O-N 3.47Å; E169-P172 VanDerWaalsContact O-CD 3.3Å; E169-P172 WeakPolarHBondContact O-CD 3.42Å
170	L	37	Very low	35.6	Very low	106 Å²	106	123 Å²	123	56%	0.555	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-10.4	179.3	-71.2	167	0	0	0	113.6	E167 H168 Y173 R174	E167-L170 PolarHBondContact O-N 3.31Å; H168-L170 VanDerWaalsContact C-N 3.27Å; H168-L170 PolarHBondContact O-N 2.83Å; L170-Y173 WeakPolarHBondContact O-CB 3.49Å; L170-Y173 PolarHBondContact O-N 2.99Å; L170-Y173 VanDerWaalsContact O-N 3.14Å; L170-R174 PolarHBondContact O-N 3.25Å
171	N	39.5	Very low	36.3	Very low	79 Å²	79	121.3 Å²	121.3	42%	0.422	57%	0.567	S	S	.	*	H	α-helix	trans	-63	-38.8	-176.9	-130	-6	0	0	0	114.2	H168 Y173 R174 Q175	H168-N171 WeakPolarHBondContact O-CB 3.19Å; H168-N171 PolarHBondContact O-N 2.75Å; N171-Y173 VanDerWaalsContact C-N 3.28Å; N171-Y173 PolarHBondContact O-N 3.21Å; N171-R174 PolarHBondContact O-N 3.04Å; N171-Q175 PolarHBondContact O-N 3.18Å
172	P	38	Very low	37	Very low	70 Å²	70	126.4 Å²	126.4	46%	0.455	58%	0.575	S	S	.	*	H	α-helix	trans	-65.9	-28.7	173.4	-17.2	30	0	0	0	113.1	E169 Q175 R176	E169-P172 VanDerWaalsContact O-CD 3.3Å; E169-P172 WeakPolarHBondContact O-CD 3.42Å; P172-Q175 PolarHBondContact O-N 2.92Å; P172-R176 PolarHBondContact O-N 3.43Å; P172-R176 VanDerWaalsContact O-N 3.14Å
173	Y	40	Very low	37.7	Very low	140 Å²	140	124 Å²	124	55%	0.549	57%	0.573	S	S	.	*	H	α-helix	trans	-72.2	-37.8	179.9	-137.9	-83.7	0	0	0	111.2	L170 N171 Q175 R176 I177	L170-Y173 WeakPolarHBondContact O-CB 3.49Å; L170-Y173 PolarHBondContact O-N 2.99Å; L170-Y173 VanDerWaalsContact O-N 3.14Å; N171-Y173 VanDerWaalsContact C-N 3.28Å; N171-Y173 PolarHBondContact O-N 3.21Å; Y173-Q175 VanDerWaalsContact C-N 3.35Å; Y173-Q175 PolarHBondContact O-N 3.31Å; Y173-R176 PolarHBondContact O-N 2.91Å; Y173-I177 HydrophobicContact CD1-CD1 4.09Å; Y173-I177 HydrophobicContact CD1-CG1 4.42Å; Y173-I177 WeakPolarHBondContact O-CG1 3.49Å; Y173-I177 PolarHBondContact O-N 3.41Å
174	R	40.9	Very low	38.2	Very low	192 Å²	192	124 Å²	124	73%	0.725	57%	0.573	S	S	*	*	H	α-helix	trans	-63.1	-38.6	171.8	-79.7	-171.9	175.6	-157	2.6	112.5	L170 N171 I177 A178	L170-R174 PolarHBondContact O-N 3.25Å; N171-R174 PolarHBondContact O-N 3.04Å; R174-I177 PolarHBondContact O-N 2.03Å; R174-A178 WeakPolarHBondContact O-CB 3.06Å; R174-A178 PolarHBondContact O-N 3.33Å
175	Q	45.1	Very low	38.4	Very low	130 Å²	130	119.7 Å²	119.7	61%	0.607	56%	0.564	S	S	*	*	H	α-helix	trans	-66.3	-37.9	176.4	-70	-176	-2.8	0	0	112.1	N171 P172 Y173 A178 Q179	N171-Q175 PolarHBondContact O-N 3.18Å; P172-Q175 PolarHBondContact O-N 2.92Å; Y173-Q175 VanDerWaalsContact C-N 3.35Å; Y173-Q175 PolarHBondContact O-N 3.31Å; Q175-A178 PolarHBondContact O-N 3.02Å; Q175-Q179 WeakPolarHBondContact O-CG 3.42Å; Q175-Q179 PolarHBondContact O-N 3.27Å
176	R	34.9	Very low	38.6	Very low	146 Å²	146	119.1 Å²	119.1	55%	0.551	56%	0.563	S	S	*	*	H	α-helix	trans	-64.9	-45.3	173.5	-86.9	-171.5	-78.7	-177.1	-5.9	112.8	P172 Y173 A178 Q179 Q180	P172-R176 PolarHBondContact O-N 3.43Å; P172-R176 VanDerWaalsContact O-N 3.14Å; Y173-R176 PolarHBondContact O-N 2.91Å; R176-A178 VanDerWaalsContact C-N 3.28Å; R176-A178 PolarHBondContact O-N 3.21Å; R176-Q179 PolarHBondContact O-N 3.24Å; R176-Q180 WeakPolarHBondContact O-CB 3.39Å; R176-Q180 PolarHBondContact O-N 3.41Å
177	I	38.3	Very low	38.7	Very low	100 Å²	100	122.8 Å²	122.8	51%	0.513	58%	0.575	S	S	.	*	H	α-helix	trans	-61.7	-40.1	175.7	-65.6	173	0	0	0	110.5	Y173 R174 Q180 S181	Y173-I177 HydrophobicContact CD1-CD1 4.09Å; Y173-I177 HydrophobicContact CD1-CG1 4.42Å; Y173-I177 WeakPolarHBondContact O-CG1 3.49Å; Y173-I177 PolarHBondContact O-N 3.41Å; R174-I177 PolarHBondContact O-N 2.03Å; I177-Q180 PolarHBondContact O-N 3.32Å; I177-S181 WeakPolarHBondContact O-CB 3.42Å; I177-S181 PolarHBondContact O-N 3.02Å; I177-S181 PolarHBondContact O-OG 3.28Å
178	A	39.5	Very low	38.9	Very low	38 Å²	38	119.3 Å²	119.3	31%	0.314	57%	0.566	S	S	.	*	H	α-helix	trans	-64.6	-41.3	175.3	0	0	0	0	0	112.3	R174 Q175 R176 S181 R182	R174-A178 WeakPolarHBondContact O-CB 3.06Å; R174-A178 PolarHBondContact O-N 3.33Å; Q175-A178 PolarHBondContact O-N 3.02Å; R176-A178 VanDerWaalsContact C-N 3.28Å; R176-A178 PolarHBondContact O-N 3.21Å; A178-S181 PolarHBondContact O-N 3.44Å; A178-S181 PolarHBondContact O-OG 3.04Å; A178-R182 WeakPolarHBondContact O-CG 3.08Å; A178-R182 PolarHBondContact O-N 3.48Å; A178-R182 VanDerWaalsContact O-N 3.11Å
179	Q	43.9	Very low	38.5	Very low	117 Å²	117	118.3 Å²	118.3	55%	0.547	57%	0.566	S	S	.	*	H	α-helix	trans	-66.3	-41.2	174.7	-78	177.7	-15	0	0	112.3	Q175 R176 S181 R182 L183	Q175-Q179 WeakPolarHBondContact O-CG 3.42Å; Q175-Q179 PolarHBondContact O-N 3.27Å; R176-Q179 PolarHBondContact O-N 3.24Å; Q179-S181 VanDerWaalsContact C-N 3.32Å; Q179-S181 PolarHBondContact O-N 2.98Å; Q179-R182 WeakPolarHBondContact O-CB 3.27Å; Q179-R182 PolarHBondContact O-N 3.28Å; Q179-R182 VanDerWaalsContact O-N 3.11Å; Q179-L183 PolarHBondContact O-N 2.84Å
180	Q	39.7	Very low	38.4	Very low	131 Å²	131	119.3 Å²	119.3	61%	0.612	57%	0.568	S	S	*	*	H	α-helix	trans	-66.4	-36.2	178.8	-146.9	159.1	10.3	0	0	111.4	R176 I177 L183 L184	R176-Q180 WeakPolarHBondContact O-CB 3.39Å; R176-Q180 PolarHBondContact O-N 3.41Å; I177-Q180 PolarHBondContact O-N 3.32Å; Q180-L183 PolarHBondContact O-N 2.93Å; Q180-L184 PolarHBondContact O-N 3.46Å
181	S	40.6	Very low	38.1	Very low	59 Å²	59	122.3 Å²	122.3	41%	0.413	58%	0.577	S	S	.	*	H	α-helix	trans	-66.5	-32.7	171.5	76.2	0	0	0	0	113.3	I177 A178 Q179 N185	I177-S181 WeakPolarHBondContact O-CB 3.42Å; I177-S181 PolarHBondContact O-N 3.02Å; I177-S181 PolarHBondContact O-OG 3.28Å; A178-S181 PolarHBondContact O-N 3.44Å; A178-S181 PolarHBondContact O-OG 3.04Å; Q179-S181 VanDerWaalsContact C-N 3.32Å; Q179-S181 PolarHBondContact O-N 2.98Å; S181-N185 PolarHBondContact O-N 3.22Å; S181-N185 PolarHBondContact O-ND2 3.29Å
182	R	42.2	Very low	37.7	Very low	181 Å²	181	125.1 Å²	125.1	68%	0.683	59%	0.591	S	S	*	*	H	α-helix	trans	-71.1	-40.6	173.2	-71.5	-178.1	-155.1	173	5.7	111.9	A178 Q179 N185 Q186	A178-R182 WeakPolarHBondContact O-CG 3.08Å; A178-R182 PolarHBondContact O-N 3.48Å; A178-R182 VanDerWaalsContact O-N 3.11Å; Q179-R182 WeakPolarHBondContact O-CB 3.27Å; Q179-R182 PolarHBondContact O-N 3.28Å; Q179-R182 VanDerWaalsContact O-N 3.11Å; R182-N185 PolarHBondContact O-N 3.41Å; R182-Q186 PolarHBondContact O-N 3.36Å
183	L	40.3	Very low	37.3	Very low	108 Å²	108	130.1 Å²	130.1	57%	0.565	61%	0.606	S	S	*	*	H	α-helix	trans	-66.1	-37.4	176.4	-71.1	171.5	0	0	0	112.1	Q179 Q180 Q186 Y187	Q179-L183 PolarHBondContact O-N 2.84Å; Q180-L183 PolarHBondContact O-N 2.93Å; L183-Q186 PolarHBondContact O-N 3.39Å; L183-Y187 PolarHBondContact O-N 3.3Å; L183-Y187 VanDerWaalsContact O-N 3.15Å
184	L	39.8	Very low	36.8	Very low	125 Å²	125	129.3 Å²	129.3	65%	0.654	61%	0.611	S	S	*	*	H	α-helix	trans	-64.1	-41.4	174.2	-119.7	92.4	0	0	0	112	Q180 Q186 Y187 S188	Q180-L184 PolarHBondContact O-N 3.46Å; L184-Q186 VanDerWaalsContact C-N 3.32Å; L184-Q186 PolarHBondContact O-N 3.43Å; L184-Y187 PolarHBondContact O-N 3.41Å; L184-S188 PolarHBondContact O-N 2.9Å; L184-S188 VanDerWaalsContact O-N 3.14Å
185	N	35.7	Very low	36.2	Very low	103 Å²	103	126.7 Å²	126.7	55%	0.551	61%	0.61	S	S	*	*	H	α-helix	trans	-69	-30.9	177.9	-74.7	-18.9	0	0	0	112.4	S181 R182 Y187 S188 D189	S181-N185 PolarHBondContact O-N 3.22Å; S181-N185 PolarHBondContact O-ND2 3.29Å; R182-N185 PolarHBondContact O-N 3.41Å; N185-Y187 VanDerWaalsContact C-N 3.33Å; N185-S188 WeakPolarHBondContact CA-OG 3.27Å; N185-S188 PolarHBondContact O-N 3.24Å; N185-S188 PolarHBondContact O-OG 3.4Å; N185-D189 PolarHBondContact O-N 3.07Å
186	Q	37.5	Very low	35.3	Very low	135 Å²	135	126.5 Å²	126.5	63%	0.631	62%	0.618	S	S	*	*	H	α-helix	trans	-71	-29.1	174.7	-144.7	174.2	6.8	0	0	112.4	R182 L183 L184	R182-Q186 PolarHBondContact O-N 3.36Å; L183-Q186 PolarHBondContact O-N 3.39Å; L184-Q186 VanDerWaalsContact C-N 3.32Å; L184-Q186 PolarHBondContact O-N 3.43Å
187	Y	32.6	Very low	34.8	Very low	200 Å²	200	129.1 Å²	129.1	78%	0.784	63%	0.633	S	S	*	*	H	α-helix	trans	-75.2	-31.9	173	-113.5	-88.7	0	0	0	113	L183 L184 N185	L183-Y187 PolarHBondContact O-N 3.3Å; L183-Y187 VanDerWaalsContact O-N 3.15Å; L184-Y187 PolarHBondContact O-N 3.41Å; N185-Y187 VanDerWaalsContact C-N 3.33Å
188	S	36	Very low	34.2	Very low	66 Å²	66	129.1 Å²	129.1	46%	0.462	64%	0.642	S	S	.	*	H	α-helix	trans	-72.7	-30.7	175.7	52.4	0	0	0	0	113.3	L184 N185	L184-S188 PolarHBondContact O-N 2.9Å; L184-S188 VanDerWaalsContact O-N 3.14Å; N185-S188 WeakPolarHBondContact CA-OG 3.27Å; N185-S188 PolarHBondContact O-N 3.24Å; N185-S188 PolarHBondContact O-OG 3.4Å
189	D	32.1	Very low	33.3	Very low	118 Å²	118	136.4 Å²	136.4	63%	0.631	67%	0.667	S	S	*	*	H	α-helix	trans	-79.9	-25.2	179.9	-76.4	-21.4	0	0	0	113.4	N185 K191	N185-D189 PolarHBondContact O-N 3.07Å; D189-K191 VanDerWaalsContact C-N 3.34Å
190	K	33	Very low	32.4	Very low	161 Å²	161	141.1 Å²	141.1	70%	0.7	68%	0.681	S	S	*	*	H	α-helix	trans	-69.3	-29.3	171.8	-98.4	-178.2	174.3	-179.4	0	113.2	L192	K190-L192 VanDerWaalsContact C-N 3.28Å; K190-L192 PolarHBondContact O-N 3.26Å
191	K	30.9	Very low	31.7	Very low	170 Å²	170	144.2 Å²	144.2	74%	0.739	70%	0.698	S	S	*	*	H	α-helix	trans	-77.5	-12.3	-177.6	-150	173.1	-174.9	177.8	0	113.8	D189 I195	D189-K191 VanDerWaalsContact C-N 3.34Å; K191-I195 WeakPolarHBondContact O-CD1 2.86Å
192	L	30.4	Very low	30.8	Very low	137 Å²	137	151 Å²	151	72%	0.717	72%	0.72	S	S	*	*	H	α-helix	trans	-96.3	-18.4	177.2	-162.5	63.3	0	0	0	113.1	K190	K190-L192 VanDerWaalsContact C-N 3.28Å; K190-L192 PolarHBondContact O-N 3.26Å
193	F	29.1	Very low	29.7	Very low	176 Å²	176	147.6 Å²	147.6	77%	0.772	72%	0.723	S	S	*	*	H	α-helix	trans	-92	-17.1	-177.4	-135.7	-95.5	0	0	0	114.5
194	D	29.8	Very low	28.8	Very low	122 Å²	122	148.2 Å²	148.2	65%	0.652	73%	0.734	S	S	*	*	S	Bend	trans	-96.8	-0.1	179.5	-76.5	-23.5	0	0	0	115.1	T196	D194-T196 VanDerWaalsContact C-N 3.32Å; D194-T196 PolarHBondContact O-N 3.23Å
195	I	29	Very low	27.9	Very low	137 Å²	137	148 Å²	148	70%	0.703	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-11.9	-179.9	-64.7	176.8	0	0	0	112.7	K191	K191-I195 WeakPolarHBondContact O-CD1 2.86Å
196	T	26.2	Very low	27.3	Very low	127 Å²	127	152.3 Å²	152.3	78%	0.779	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.2	8	-179.2	42	0	0	0	0	115.8	D194	D194-T196 VanDerWaalsContact C-N 3.32Å; D194-T196 PolarHBondContact O-N 3.23Å
197	K	23.3	Very low	26.5	Very low	200 Å²	200	150.5 Å²	150.5	87%	0.87	75%	0.754	S	S	*	*	S	Bend	trans	-153.3	64.5	179.6	-140.7	178.5	-172.5	-178	0	115.7
198	S	26	Very low	26	Very low	101 Å²	101	146 Å²	146	71%	0.706	75%	0.752	S	S	*	*			trans	-155.1	75.9	155.4	58.9	0	0	0	0	112.6
199	K	22.3	Very low	25.3	Very low	190 Å²	190	147.7 Å²	147.7	83%	0.826	76%	0.764	S	S	*	*	S	Bend	trans	-69.4	130.5	138.1	-95.6	178	175.4	175.7	0	105.8
200	Y	23.8	Very low	24.8	Very low	216 Å²	216	146.2 Å²	146.2	85%	0.847	76%	0.763	S	S	*	*			trans	74.5	100.2	179.2	-51.2	-79.6	0	0	0	115.6
201	M	24.2	Very low	24.5	Very low	196 Å²	196	148.2 Å²	148.2	97%	0.966	77%	0.772	S	S	*	*				-172.3	141	119.4	-102.8	-177.5	146.9	0	0	110.5
202	K	22.2	Very low	23.9	Very low	203 Å²	203	148.6 Å²	148.6	88%	0.883	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-66.3	148	-175.7	-70.8	169.2	173.7	176.6	0	111.5
203	S	19.1	Very low	23.8	Very low	108 Å²	108	147 Å²	147	76%	0.755	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-48.6	142.4	163.9	48.7	0	0	0	0	114
204	P	22	Very low	23.5	Very low	122 Å²	122	145.5 Å²	145.5	79%	0.792	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-99.6	133.7	144.2	18.1	-0.2	0	0	0	110.7
205	T	20	Very low	23.1	Very low	119 Å²	119	145.7 Å²	145.7	73%	0.73	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-52.9	147.9	169.5	46.3	0	0	0	0	114.4
206	F	23.2	Very low	22.8	Very low	195 Å²	195	143.9 Å²	143.9	86%	0.855	79%	0.785	S	S	*	*				-166.2	126.4	121.9	-108.9	-78.2	0	0	0	110.9
207	S	21.1	Very low	22.4	Very low	96 Å²	96	148.4 Å²	148.4	67%	0.671	79%	0.789	S	S	*	*			trans	19.2	142.7	148.8	59.8	0	0	0	0	119.8
208	S	21.7	Very low	22.5	Very low	105 Å²	105	144.4 Å²	144.4	73%	0.734	78%	0.784	S	S	*	*			cis	170.8	147.1	18.2	39.8	0	0	0	0	102.6
209	S	21.6	Very low	22.3	Very low	102 Å²	102	143.8 Å²	143.8	71%	0.713	78%	0.779	S	S	*	*			cis	179.4	148.7	44.8	38.8	0	0	0	0	107.3
210	S	21.6	Very low	22.2	Very low	87 Å²	87	141 Å²	141	61%	0.608	78%	0.778	S	S	*	*			trans	49	109.2	147.7	59.2	0	0	0	0	120
211	F	26.3	Very low	22.2	Very low	204 Å²	204	138.6 Å²	138.6	90%	0.895	78%	0.778	S	S	*	*				-174.3	115.2	88.2	-101.4	-83	0	0	0	110.2
212	Q	20	Very low	21.9	Very low	178 Å²	178	137.9 Å²	137.9	83%	0.832	77%	0.772	S	S	*	*			trans	-89.9	-177	159.4	-72.9	-167.3	-45.4	0	0	108.3
213	P	26.7	Very low	22	Very low	102 Å²	102	139.7 Å²	139.7	66%	0.662	77%	0.773	S	S	*	*			cis	-144.3	-167.4	10.9	30.1	-3.2	0	0	0	115.9
214	L	23	Very low	22.4	Very low	146 Å²	146	139.9 Å²	139.9	76%	0.764	77%	0.772	S	S	*	*			trans	111	86.2	154	-61.6	160.7	0	0	0	114.3
215	T	21.9	Very low	22.2	Very low	125 Å²	125	144.9 Å²	144.9	77%	0.767	78%	0.777	S	S	*	*				96.4	113.6	74.7	47.6	0	0	0	0	112.5
216	A	23.2	Very low	22.5	Very low	100 Å²	100	146.4 Å²	146.4	83%	0.826	78%	0.78	S	S	*	*				142.3	119.5	113.9	0	0	0	0	0	112.5
217	Y	17.9	Very low	22.7	Very low	222 Å²	222	145.5 Å²	145.5	87%	0.871	78%	0.776	S	S	*	*			trans	-71.5	162.2	174.8	-86	-98.9	0	0	0	112.7
218	P	24.6	Very low	23.1	Very low	116 Å²	116	147.4 Å²	147.4	75%	0.753	78%	0.779	S	S	*	*				-133.8	120.3	98.5	29.4	-14.2	0	0	0	111.7
219	S	21.2	Very low	23.7	Very low	88 Å²	88	148.8 Å²	148.8	62%	0.615	78%	0.778	S	S	*	*				54.6	100.3	92.4	56.3	0	0	0	0	115.3
220	V	20.1	Very low	24.3	Very low	131 Å²	131	148.6 Å²	148.6	79%	0.794	78%	0.776	S	S	*	*				79	102.5	103.5	175.3	0	0	0	0	113.6
221	I	24.1	Very low	24.9	Very low	166 Å²	166	148.4 Å²	148.4	85%	0.851	78%	0.775	S	S	*	*			trans	-143.8	110.8	130.3	-60.1	-172.7	0	0	0	107.9
222	Q	18.3	Very low	25.1	Very low	181 Å²	181	144.8 Å²	144.8	85%	0.846	76%	0.756	S	S	*	*			trans	-83.7	136.9	158.2	-70.8	172.2	-26	0	0	108.2
223	R	23.5	Very low	26	Very low	240 Å²	240	143 Å²	143	91%	0.906	75%	0.746	S	S	*	*			trans	-178.4	158.9	150.1	-102.9	173	-165.8	-150.6	5.5	110.7
224	P	27.5	Very low	26.7	Very low	112 Å²	112	143.1 Å²	143.1	73%	0.727	74%	0.741	S	S	*	*				-113.3	164.8	-116.3	38	-28.4	0	0	0	114.3	N226	P224-N226 PolarHBondContact O-N 3.05Å
225	Y	17.8	Very low	27.2	Very low	227 Å²	227	142.1 Å²	142.1	89%	0.89	73%	0.732	S	S	*	*			trans	-21.2	116.1	153.3	-126.7	-105.1	0	0	0	113.7
226	N	26.4	Very low	27.8	Very low	151 Å²	151	143.4 Å²	143.4	81%	0.807	72%	0.723	S	S	*	*			trans	-153.2	145.6	143.9	-128.5	-14.4	0	0	0	114.2	P224	P224-N226 PolarHBondContact O-N 3.05Å
227	K	27.6	Very low	28.5	Very low	176 Å²	176	145.7 Å²	145.7	77%	0.765	71%	0.714	S	S	*	*			trans	-58.2	133.9	-174.4	-65.4	160.3	173.4	174.4	0	112
228	N	31.1	Very low	29.4	Very low	136 Å²	136	141.1 Å²	141.1	73%	0.727	70%	0.701	S	S	*	*			trans	-178.5	76.3	136.5	-89.7	-16	0	0	0	109.4	S230	N228-S230 PolarHBondContact O-N 3.38Å; N228-S230 VanDerWaalsContact O-N 3.09Å
229	L	33	Very low	30	Very low	135 Å²	135	141.4 Å²	141.4	71%	0.707	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	3.7	177.6	-155.7	68.7	0	0	0	113.1	F233	L229-F233 WeakPolarHBondContact O-CD2 3.31Å
230	S	34.4	Very low	30.9	Very low	98 Å²	98	140.3 Å²	140.3	69%	0.685	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-25.5	179.4	-152.7	0	0	0	0	113.3	N228	N228-S230 PolarHBondContact O-N 3.38Å; N228-S230 VanDerWaalsContact O-N 3.09Å
231	S	34.7	Very low	31.7	Very low	82 Å²	82	141.3 Å²	141.3	57%	0.573	68%	0.678	S	S	*	*	S	Bend	trans	-84.1	-17.1	177.8	66.5	0	0	0	0	113.9	F233 D234	S231-F233 PolarHBondContact O-N 3.4Å; S231-D234 PolarHBondContact O-N 3.11Å
232	Y	31.1	Very low	32.4	Very low	128 Å²	128	140.2 Å²	140.2	50%	0.502	67%	0.669	S	S	.	*	H	α-helix	trans	-68.2	-24.6	177.2	-172.1	-98.4	0	0	0	112.5	R236	Y232-R236 PolarHBondContact OH-NH2 2.96Å
233	F	37.9	Very low	33.1	Very low	141 Å²	141	138.9 Å²	138.9	62%	0.618	66%	0.661	S	S	*	*	H	α-helix	trans	-76.4	-30.4	178.3	-78.8	-77.6	0	0	0	113.4	L229 S231 K237	L229-F233 WeakPolarHBondContact O-CD2 3.31Å; S231-F233 PolarHBondContact O-N 3.4Å; F233-K237 PolarHBondContact O-N 3.48Å
234	D	40.8	Very low	33.6	Very low	104 Å²	104	131.9 Å²	131.9	56%	0.556	65%	0.645	S	S	*	*	H	α-helix	trans	-74.3	-35.1	179.8	-74.6	-31.9	0	0	0	112.5	S231 R236 K237 Q238	S231-D234 PolarHBondContact O-N 3.11Å; D234-R236 PolarHBondContact O-N 3.05Å; D234-K237 PolarHBondContact O-N 2Å; D234-Q238 PolarHBondContact O-N 3.24Å; D234-Q238 VanDerWaalsContact O-N 3.1Å
235	H	35.3	Very low	34.1	Very low	125 Å²	125	133.9 Å²	133.9	58%	0.579	64%	0.644	S	S	*	*	H	α-helix	trans	-67.3	-35.4	176.2	-115.2	-61.3	0	0	0	112.9	Q238 Q239	H235-Q238 PolarHBondContact O-N 3.32Å; H235-Q239 WeakPolarHBondContact O-CG 3.44Å; H235-Q239 PolarHBondContact O-N 2.77Å
236	R	34.4	Very low	34.7	Very low	153 Å²	153	129 Å²	129	58%	0.577	63%	0.633	S	S	*	*	H	α-helix	trans	-70.6	-32.2	173.4	-85.4	-162.9	-170.5	-169.8	5.9	112.7	Y232 D234 S240	Y232-R236 PolarHBondContact OH-NH2 2.96Å; D234-R236 PolarHBondContact O-N 3.05Å; R236-S240 WeakPolarHBondContact O-CB 3.34Å; R236-S240 PolarHBondContact O-N 2.82Å
237	K	35.9	Very low	34.9	Very low	148 Å²	148	127 Å²	127	64%	0.643	62%	0.622	S	S	*	*	H	α-helix	trans	-67.4	-38.7	175.7	-126.3	175.6	-175.8	176.3	0	111.1	F233 D234 S240 K241	F233-K237 PolarHBondContact O-N 3.48Å; D234-K237 PolarHBondContact O-N 2Å; K237-S240 PolarHBondContact O-N 2.87Å; K237-S240 PolarHBondContact O-OG 3.11Å; K237-K241 PolarHBondContact O-N 3.2Å
238	Q	38.6	Very low	35	Very low	126 Å²	126	128.8 Å²	128.8	59%	0.589	62%	0.624	S	S	*	*	H	α-helix	trans	-71.3	-40.2	174.6	-69.6	-177.1	-3.4	0	0	113	D234 H235 S240 K241 Q242	D234-Q238 PolarHBondContact O-N 3.24Å; D234-Q238 VanDerWaalsContact O-N 3.1Å; H235-Q238 PolarHBondContact O-N 3.32Å; Q238-S240 VanDerWaalsContact C-N 3.26Å; Q238-S240 PolarHBondContact O-N 3.28Å; Q238-K241 PolarHBondContact O-N 2.85Å; Q238-K241 VanDerWaalsContact O-N 3.08Å; Q238-Q242 PolarHBondContact O-N 3.44Å
239	Q	37.3	Very low	34.8	Very low	121 Å²	121	130.4 Å²	130.4	57%	0.565	63%	0.627	S	S	*	*	H	α-helix	trans	-64.3	-30.2	173.3	-74.3	-178.3	9	0	0	112.6	H235 K241 K243	H235-Q239 WeakPolarHBondContact O-CG 3.44Å; H235-Q239 PolarHBondContact O-N 2.77Å; Q239-K241 VanDerWaalsContact C-N 3.34Å; Q239-K243 WeakPolarHBondContact O-CB 3.49Å; Q239-K243 PolarHBondContact O-N 3.02Å; Q239-K243 VanDerWaalsContact O-N 3.08Å
240	S	39.2	Very low	34.6	Very low	66 Å²	66	131.9 Å²	131.9	46%	0.462	63%	0.63	S	S	.	*	H	α-helix	trans	-68.7	-31.2	172.9	82	0	0	0	0	112.9	R236 K237 Q238 T244	R236-S240 WeakPolarHBondContact O-CB 3.34Å; R236-S240 PolarHBondContact O-N 2.82Å; K237-S240 PolarHBondContact O-N 2.87Å; K237-S240 PolarHBondContact O-OG 3.11Å; Q238-S240 VanDerWaalsContact C-N 3.26Å; Q238-S240 PolarHBondContact O-N 3.28Å; S240-T244 PolarHBondContact O-N 3.38Å; S240-T244 PolarHBondContact O-OG1 3.09Å
241	K	36.1	Very low	34	Very low	152 Å²	152	135.4 Å²	135.4	66%	0.661	64%	0.636	S	S	*	*	H	α-helix	trans	-77.2	-35.8	176.4	-76.2	-174.5	175.7	-177.2	0	112.9	K237 Q238 Q239 T244 Q245	K237-K241 PolarHBondContact O-N 3.2Å; Q238-K241 PolarHBondContact O-N 2.85Å; Q238-K241 VanDerWaalsContact O-N 3.08Å; Q239-K241 VanDerWaalsContact C-N 3.34Å; K241-T244 WeakPolarHBondContact CA-OG1 3.04Å; K241-T244 PolarHBondContact O-N 3.34Å; K241-T244 PolarHBondContact O-OG1 3.25Å; K241-T244 VanDerWaalsContact O-OG1 3.05Å; K241-Q245 PolarHBondContact O-N 3.35Å
242	Q	38.8	Very low	33.6	Very low	143 Å²	143	139.7 Å²	139.7	67%	0.668	65%	0.647	S	S	*	*	H	α-helix	trans	-70.6	-32.9	172.3	-79.3	180	-1.3	0	0	112.2	Q238 T244 Q245 L246	Q238-Q242 PolarHBondContact O-N 3.44Å; Q242-T244 VanDerWaalsContact C-N 3.33Å; Q242-T244 PolarHBondContact O-N 3.01Å; Q242-Q245 PolarHBondContact O-N 3.27Å; Q242-L246 PolarHBondContact O-N 2.92Å; Q242-L246 VanDerWaalsContact O-N 3.1Å
243	K	34.6	Very low	33.3	Very low	153 Å²	153	141.5 Å²	141.5	67%	0.665	67%	0.665	S	S	*	*	H	α-helix	trans	-66.9	-28.6	172.6	-107.4	176.4	175.5	173.7	0	113.8	Q239 N247	Q239-K243 WeakPolarHBondContact O-CB 3.49Å; Q239-K243 PolarHBondContact O-N 3.02Å; Q239-K243 VanDerWaalsContact O-N 3.08Å; K243-N247 WeakPolarHBondContact O-CB 3.29Å; K243-N247 PolarHBondContact O-N 3.46Å; K243-N247 PolarHBondContact O-ND2 3.02Å
244	T	33.4	Very low	32.5	Very low	93 Å²	93	143.9 Å²	143.9	57%	0.571	68%	0.678	S	S	*	*	H	α-helix	trans	-78.1	-23.3	174.4	24.1	0	0	0	0	113.5	S240 K241 Q242	S240-T244 PolarHBondContact O-N 3.38Å; S240-T244 PolarHBondContact O-OG1 3.09Å; K241-T244 WeakPolarHBondContact CA-OG1 3.04Å; K241-T244 PolarHBondContact O-N 3.34Å; K241-T244 PolarHBondContact O-OG1 3.25Å; K241-T244 VanDerWaalsContact O-OG1 3.05Å; Q242-T244 VanDerWaalsContact C-N 3.33Å; Q242-T244 PolarHBondContact O-N 3.01Å
245	Q	37.1	Very low	31.9	Very low	153 Å²	153	144.5 Å²	144.5	72%	0.715	69%	0.688	S	S	*	*	H	α-helix	trans	-80.6	-39.2	172.5	-110.3	167.8	-18.8	0	0	112.4	K241 Q242 N247 R248	K241-Q245 PolarHBondContact O-N 3.35Å; Q242-Q245 PolarHBondContact O-N 3.27Å; Q245-N247 VanDerWaalsContact C-N 3.27Å; Q245-N247 PolarHBondContact O-N 3.38Å; Q245-R248 PolarHBondContact O-N 3.33Å
246	L	31.3	Very low	31.6	Very low	125 Å²	125	144.1 Å²	144.1	65%	0.654	69%	0.694	S	S	*	*	H	α-helix	trans	-68.1	-26.6	176	-149.1	80.6	0	0	0	112.7	Q242 R248	Q242-L246 PolarHBondContact O-N 2.92Å; Q242-L246 VanDerWaalsContact O-N 3.1Å; L246-R248 VanDerWaalsContact C-N 3.33Å; L246-R248 PolarHBondContact O-N 3.27Å
247	N	29.5	Very low	31.4	Very low	108 Å²	108	144 Å²	144	58%	0.578	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	1.5	178.2	-80.4	-9.6	0	0	0	115.1	K243 Q245	K243-N247 WeakPolarHBondContact O-CB 3.29Å; K243-N247 PolarHBondContact O-N 3.46Å; K243-N247 PolarHBondContact O-ND2 3.02Å; Q245-N247 VanDerWaalsContact C-N 3.27Å; Q245-N247 PolarHBondContact O-N 3.38Å
248	R	30.6	Very low	31.1	Very low	215 Å²	215	139.9 Å²	139.9	81%	0.811	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-13.4	169.1	-79.7	-172.7	176.7	178.1	-0.6	113.8	Q245 L246	Q245-R248 PolarHBondContact O-N 3.33Å; L246-R248 VanDerWaalsContact C-N 3.33Å; L246-R248 PolarHBondContact O-N 3.27Å
249	Q	27.7	Very low	31	Very low	170 Å²	170	137.3 Å²	137.3	79%	0.794	68%	0.684	S	S	*	*	S	Bend	trans	-105.3	-3.6	-178.6	-73.3	-177.3	-17.5	0	0	114.9
250	H	26.9	Very low	30.7	Very low	166 Å²	166	139.6 Å²	139.6	77%	0.769	69%	0.692	S	S	*	*			trans	-123.6	52.8	173	-82.9	-54.9	0	0	0	112.8
251	Q	23.6	Very low	30.8	Very low	172 Å²	172	137.7 Å²	137.7	80%	0.804	68%	0.676	S	S	*	*			trans	-96.9	67.4	156.7	-72.9	-174.4	5.2	0	0	109.5
252	Q	24.9	Very low	30.7	Very low	171 Å²	171	139.4 Å²	139.4	80%	0.799	68%	0.683	S	S	*	*	S	Bend	trans	-134.3	106	161.3	-73.8	-173.6	-0.1	0	0	107.6
253	N	25	Very low	30.2	Very low	166 Å²	166	140.6 Å²	140.6	89%	0.888	69%	0.689	S	S	*	*			trans	34.3	87	158.6	-62.5	-20	0	0	0	117.5
254	Q	22.5	Very low	29.9	Very low	192 Å²	192	140.3 Å²	140.3	90%	0.897	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-95	125.2	155	-73.5	-162.2	-2.5	0	0	110.1
255	P	26.9	Very low	29.6	Very low	116 Å²	116	145 Å²	145	75%	0.753	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-75.2	146.8	-173	29.5	-32.9	0	0	0	112.1	N257	P255-N257 PolarHBondContact O-N 3.06Å
256	V	29.7	Very low	29.2	Very low	118 Å²	118	144 Å²	144	72%	0.715	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-46.6	126.8	172.5	178.7	0	0	0	0	110.1	S258	V256-S258 PolarHBondContact O-N 3.39Å
257	N	29.1	Very low	29	Very low	151 Å²	151	145.2 Å²	145.2	81%	0.807	72%	0.719	S	S	*	*			trans	-55.1	93.3	178.9	-81.1	-25.5	0	0	0	111.5	P255 I259	P255-N257 PolarHBondContact O-N 3.06Å; N257-I259 PolarHBondContact O-N 2.99Å
258	S	29.8	Very low	28.9	Very low	60 Å²	60	146.6 Å²	146.6	42%	0.42	73%	0.731	S	S	.	*			trans	-67.8	118.1	165	62.1	0	0	0	0	108.2	V256 K260	V256-S258 PolarHBondContact O-N 3.39Å; S258-K260 PolarHBondContact O-N 3.09Å; S258-K260 VanDerWaalsContact O-N 3.09Å
259	I	36.4	Very low	28.9	Very low	72 Å²	72	144 Å²	144	37%	0.369	73%	0.728	S	S	.	*	B	Isolated β-bridge	trans	-70.5	108.6	173	-63.5	167.5	0	0	0	107.5	N257 E717	N257-I259 PolarHBondContact O-N 2.99Å; I259-E717 HydrophobicContact CD1-CG 3.98Å; I259-E717 WeakPolarHBondContact CD1-OE1 2.75Å
260	K	30.7	Very low	29.1	Very low	169 Å²	169	144.2 Å²	144.2	74%	0.735	74%	0.735	S	S	*	*			trans	-72.5	127.9	153.2	-69.2	-178.6	179.5	179.2	0	106	S258 K262	S258-K260 PolarHBondContact O-N 3.09Å; S258-K260 VanDerWaalsContact O-N 3.09Å; K260-K262 VanDerWaalsContact C-N 3.29Å; K260-K262 PolarHBondContact O-N 3.33Å
261	F	42	Very low	29.3	Very low	26 Å²	26	143.9 Å²	143.9	11%	0.114	73%	0.733	C	S	.	*			trans	-58.2	99.3	165	-69.9	-58.7	0	0	0	107	Q263 I719 A723 Y728 Y731 I733	F261-Q263 PolarHBondContact O-N 3.39Å; F261-Q263 VanDerWaalsContact O-N 3.13Å; F261-I719 HydrophobicContact CE2-CD1 3.9Å; F261-I719 HydrophobicContact CZ-CD1 3.57Å; F261-A723 HydrophobicContact CD2-CB 3.69Å; F261-A723 HydrophobicContact CE2-CB 3.44Å; F261-A723 VanDerWaalsContact CE2-CB 3.44Å; F261-A723 HydrophobicContact CZ-CB 4.48Å; F261-Y728 HydrophobicContact CB-CD1 3.81Å; F261-Y728 HydrophobicContact CB-CE1 3.34Å; F261-Y728 HydrophobicContact CB-CE2 4.41Å; F261-Y728 HydrophobicContact CB-CG 4.5Å; F261-Y728 HydrophobicContact CD2-CD1 4.17Å; F261-Y728 AromaticContact CD2-CD2 3.75Å; F261-Y728 HydrophobicContact CD2-CD2 3.75Å; F261-Y728 HydrophobicContact CD2-CE1 4.05Å; F261-Y728 AromaticContact CD2-CE2 3.61Å; F261-Y728 HydrophobicContact CD2-CE2 3.61Å; F261-Y728 HydrophobicContact CD2-CG 4.03Å; F261-Y728 AromaticContact CD2-CZ 3.75Å; F261-Y728 HydrophobicContact CE2-CD2 4.18Å; F261-Y728 HydrophobicContact CE2-CE2 4.33Å; F261-Y728 HydrophobicContact CG-CD1 4.16Å; F261-Y728 HydrophobicContact CG-CE1 4.05Å; F261-Y728 HydrophobicContact CG-CE2 4.41Å; F261-Y728 HydrophobicContact CG-CG 4.4Å; F261-Y731 AromaticContact CD1-CD2 3.74Å; F261-Y731 HydrophobicContact CD1-CD2 3.74Å; F261-Y731 AromaticContact CD1-CE2 3.4Å; F261-Y731 HydrophobicContact CD1-CE2 3.4Å; F261-Y731 VanDerWaalsContact CD1-CE2 3.4Å; F261-Y731 AromaticContact CE1-CD2 3.36Å; F261-Y731 HydrophobicContact CE1-CD2 3.36Å; F261-Y731 AromaticContact CE1-CE2 3.22Å; F261-Y731 HydrophobicContact CE1-CE2 3.22Å; F261-Y731 HydrophobicContact CE1-CG 4.2Å; F261-Y731 AromaticContact CE1-CZ 3.95Å; F261-Y731 AromaticContact CZ-CD2 3.94Å; F261-Y731 HydrophobicContact CZ-CD2 3.94Å; F261-Y731 HydrophobicContact CZ-CE2 4.23Å; F261-I733 HydrophobicContact CE2-CD1 3.83Å; F261-I733 HydrophobicContact CZ-CD1 3.93Å
262	K	34.4	Very low	29.5	Very low	188 Å²	188	144.3 Å²	144.3	82%	0.817	73%	0.733	S	S	*	*			trans	-63.2	118.3	174.2	-76.9	-175.4	175.4	-178.1	0	106.4	K260 N264	K260-K262 VanDerWaalsContact C-N 3.29Å; K260-K262 PolarHBondContact O-N 3.33Å; K262-N264 PolarHBondContact O-N 3.23Å; K262-N264 VanDerWaalsContact O-N 3.1Å
263	Q	28.1	Very low	29.9	Very low	168 Å²	168	140.4 Å²	140.4	79%	0.785	72%	0.722	S	S	*	*			trans	-58.2	113.6	160.7	-69.9	177.1	-13.9	0	0	105.7	F261 K265	F261-Q263 PolarHBondContact O-N 3.39Å; F261-Q263 VanDerWaalsContact O-N 3.13Å; Q263-K265 PolarHBondContact O-N 3.23Å
264	N	29.4	Very low	30.1	Very low	147 Å²	147	140.6 Å²	140.6	79%	0.786	72%	0.717	S	S	*	*			trans	-61.7	110.2	159.1	-82	-4.4	0	0	0	104.8	K262 T266	K262-N264 PolarHBondContact O-N 3.23Å; K262-N264 VanDerWaalsContact O-N 3.1Å; N264-T266 PolarHBondContact O-N 3.29Å
265	K	26.3	Very low	30.9	Very low	191 Å²	191	135.3 Å²	135.3	83%	0.83	70%	0.695	S	S	*	*			trans	-52.8	114.3	162.8	-87.6	-178.8	171.9	-178.1	0	105.7	Q263 N267	Q263-K265 PolarHBondContact O-N 3.23Å; K265-N267 VanDerWaalsContact C-N 3.29Å; K265-N267 PolarHBondContact O-N 3.26Å
266	T	27.8	Very low	31.5	Very low	132 Å²	132	139.1 Å²	139.1	81%	0.81	70%	0.699	S	S	*	*			trans	-64.8	93.2	172	45.4	0	0	0	0	107.3	N264 T268	N264-T266 PolarHBondContact O-N 3.29Å; T266-T268 PolarHBondContact O-N 3.29Å
267	N	28.8	Very low	32.5	Very low	152 Å²	152	134.9 Å²	134.9	81%	0.813	68%	0.68	S	S	*	*			trans	-67.2	121.7	146.1	-75.8	-2.8	0	0	0	105.1	K265 E269	K265-N267 VanDerWaalsContact C-N 3.29Å; K265-N267 PolarHBondContact O-N 3.26Å; N267-E269 PolarHBondContact O-N 2.9Å
268	T	27	Very low	33.7	Very low	137 Å²	137	137.3 Å²	137.3	84%	0.84	68%	0.677	S	S	*	*	S	Bend	trans	-49	101.5	174.6	41.4	0	0	0	0	110.6	T266	T266-T268 PolarHBondContact O-N 3.29Å
269	E	30.8	Very low	35.4	Very low	160 Å²	160	137.9 Å²	137.9	75%	0.748	67%	0.67	S	S	*	*			trans	-169.8	119.3	151.5	-105.3	169.8	-156.7	0	0	107	N267 H271	N267-E269 PolarHBondContact O-N 2.9Å; E269-H271 PolarHBondContact O-N 3.09Å
270	D	30.8	Very low	37.2	Very low	174 Å²	174	135.4 Å²	135.4	93%	0.93	66%	0.656	S	S	*	*			trans	-63.1	75.8	-176.3	-83.6	-45.2	0	0	0	112.3
271	H	31.3	Very low	39.5	Very low	159 Å²	159	127.3 Å²	127.3	74%	0.736	62%	0.621	S	S	*	*			trans	-104	88.2	162.9	-75.3	-41.8	0	0	0	108.6	E269 P273	E269-H271 PolarHBondContact O-N 3.09Å; H271-P273 WeakPolarHBondContact O-CD 3.29Å
272	K	28.7	Very low	41.2	Very low	182 Å²	182	126.2 Å²	126.2	79%	0.791	62%	0.617	S	S	*	*			trans	-50.9	113.6	158.9	-85	-174.5	179.1	-178.5	0	106.6	Q274	K272-Q274 PolarHBondContact O-N 3.45Å
273	P	33.3	Very low	43.2	Very low	89 Å²	89	119 Å²	119	58%	0.578	59%	0.589	S	S	*	*			trans	-66	100.3	179.3	24.8	-31.3	0	0	0	108.6	H271 I275 F730	H271-P273 WeakPolarHBondContact O-CD 3.29Å; P273-I275 PolarHBondContact O-N 2.78Å; P273-F730 HydrophobicContact CG-CD2 4.37Å; P273-F730 HydrophobicContact CG-CE2 3.95Å
274	Q	29.4	Very low	45.7	Very low	169 Å²	169	111.2 Å²	111.2	79%	0.79	55%	0.552	S	S	*	*			trans	-69.3	80.4	171.4	-74.5	-161.2	17.6	0	0	109.4	K272 K276	K272-Q274 PolarHBondContact O-N 3.45Å; Q274-K276 PolarHBondContact O-N 3.42Å; Q274-K276 VanDerWaalsContact O-N 3.07Å
275	I	38.2	Very low	48.2	Very low	82 Å²	82	104.2 Å²	104.2	42%	0.421	51%	0.514	S	S	.	.			trans	-73.1	101	165.2	-61.7	-176.1	0	0	0	107.1	P273 G277 F730	P273-I275 PolarHBondContact O-N 2.78Å; I275-G277 PolarHBondContact O-N 3.05Å; I275-F730 HydrophobicContact CD1-CE2 4.27Å; I275-F730 HydrophobicContact CD1-CZ 3.65Å
276	K	39.3	Very low	50.7	Low	196 Å²	196	96.1 Å²	96.1	85%	0.852	48%	0.479	S	S	*	.			trans	-66.8	30.3	168	-86.4	-178.4	175.1	174.3	0	113	Q274 R278	Q274-K276 PolarHBondContact O-N 3.42Å; Q274-K276 VanDerWaalsContact O-N 3.07Å; K276-R278 PolarHBondContact O-N 2.76Å
277	G	50.9	Low	53	Low	29 Å²	29	89.8 Å²	89.8	30%	0.299	44%	0.441	S	S	.	.			trans	-82.4	98.9	173.4	0	0	0	0	0	109.2	I275 W279	I275-G277 PolarHBondContact O-N 3.05Å; G277-W279 PolarHBondContact O-N 2.65Å; G277-W279 PolarHBondContact O-NE1 3.17Å
278	R	54	Low	55.4	Low	201 Å²	201	82.6 Å²	82.6	76%	0.758	40%	0.402	S	S	*	.			trans	-66	117.1	-173.9	-149.4	-176.2	-77.1	-136.2	2.1	111.2	K276 W280	K276-R278 PolarHBondContact O-N 2.76Å; R278-W280 VanDerWaalsContact C-N 3.28Å; R278-W280 PolarHBondContact O-N 2.93Å
279	W	65.9	Low	57.8	Low	72 Å²	72	78 Å²	78	27%	0.273	37%	0.371	S	S	.	.			trans	-78.9	49.2	-171.1	-32.5	78.6	0	0	0	113.8	G277 L281 D282 T283 A464 N468 L471	G277-W279 PolarHBondContact O-N 2.65Å; G277-W279 PolarHBondContact O-NE1 3.17Å; W279-L281 PolarHBondContact O-N 3.07Å; W279-L281 VanDerWaalsContact O-N 3.1Å; W279-D282 HydrophobicContact CB-CB 4.09Å; W279-D282 CarbonylContact O-C 3.58Å; W279-D282 WeakPolarHBondContact O-CA 3.46Å; W279-D282 WeakPolarHBondContact O-CB 3.04Å; W279-D282 PolarHBondContact O-N 3.43Å; W279-T283 PolarHBondContact O-N 3.3Å; W279-T283 PolarHBondContact O-OG1 2.81Å; W279-A464 HydrophobicContact CE3-CB 4.35Å; W279-N468 HydrophobicContact CH2-CB 4Å; W279-N468 WeakPolarHBondContact CH2-OD1 3.33Å; W279-N468 HydrophobicContact CZ3-CB 3.59Å; W279-N468 WeakPolarHBondContact CZ3-OD1 3.15Å; W279-L471 HydrophobicContact CE3-CD1 4.34Å; W279-L471 HydrophobicContact CE3-CD2 3.95Å; W279-L471 HydrophobicContact CE3-CG 4.06Å; W279-L471 HydrophobicContact CH2-CD1 3.76Å; W279-L471 HydrophobicContact CH2-CG 4.37Å; W279-L471 HydrophobicContact CZ3-CD1 3.43Å; W279-L471 VanDerWaalsContact CZ3-CD1 3.43Å; W279-L471 HydrophobicContact CZ3-CD2 3.87Å; W279-L471 HydrophobicContact CZ3-CG 3.56Å
280	W	73.3	Confident	59.8	Low	20 Å²	20	73.2 Å²	73.2	8%	0.076	36%	0.355	C	S	.	.	H	α-helix	trans	-58.5	-39	-158	66.4	-107.3	0	0	0	115.6	R278 D282 T283 I284 Y481 L537 M540 E541	R278-W280 VanDerWaalsContact C-N 3.28Å; R278-W280 PolarHBondContact O-N 2.93Å; W280-D282 VanDerWaalsContact C-N 3.25Å; W280-D282 PolarHBondContact O-N 2.85Å; W280-T283 PolarHBondContact O-N 2.91Å; W280-I284 WeakPolarHBondContact O-CG1 3.31Å; W280-I284 PolarHBondContact O-N 3.1Å; W280-Y481 HydrophobicContact CH2-CE1 4.19Å; W280-Y481 HydrophobicContact CZ2-CE1 4.43Å; W280-L537 HydrophobicContact CH2-CB 3.91Å; W280-L537 WeakPolarHBondContact CH2-O 3.28Å; W280-L537 VanDerWaalsContact CZ2-O 3.23Å; W280-L537 WeakPolarHBondContact CZ2-O 3.38Å; W280-L537 HydrophobicContact CZ3-CB 3.84Å; W280-L537 HydrophobicContact CZ3-CD2 3.76Å; W280-L537 HydrophobicContact CZ3-CG 4.35Å; W280-L537 WeakPolarHBondContact CZ3-O 3.36Å; W280-M540 HydrophobicContact CB-CB 4.02Å; W280-M540 HydrophobicContact CB-CG 4.44Å; W280-M540 HydrophobicContact CB-SD 3.65Å; W280-M540 HydrophobicContact CD2-CB 3.1Å; W280-M540 HydrophobicContact CD2-CE 3.9Å; W280-M540 HydrophobicContact CD2-CG 3.98Å; W280-M540 HydrophobicContact CD2-SD 3.7Å; W280-M540 VanDerWaalsContact CE2-C 3.46Å; W280-M540 HydrophobicContact CE3-CB 3.45Å; W280-M540 VanDerWaalsContact CE3-CB 3.45Å; W280-M540 HydrophobicContact CE3-CE 2.91Å; W280-M540 HydrophobicContact CE3-CG 3.9Å; W280-M540 HydrophobicContact CE3-SD 3.3Å; W280-M540 HydrophobicContact CG-CB 3.39Å; W280-M540 HydrophobicContact CG-CG 4.25Å; W280-M540 HydrophobicContact CG-SD 3.91Å; W280-M540 HydrophobicContact CH2-CB 3.98Å; W280-M540 HydrophobicContact CH2-CE 4.15Å; W280-M540 HydrophobicContact CZ2-CB 3.48Å; W280-M540 VanDerWaalsContact CZ2-CB 3.48Å; W280-M540 HydrophobicContact CZ3-CB 3.97Å; W280-M540 HydrophobicContact CZ3-CE 3.16Å; W280-M540 HydrophobicContact CZ3-CG 4.42Å; W280-M540 HydrophobicContact CZ3-SD 4.1Å; W280-M540 VanDerWaalsContact NE1-C 3.33Å; W280-M540 PolarHBondContact NE1-O 3.28Å; W280-M540 VanDerWaalsContact NE1-O 3.09Å; W280-E541 VanDerWaalsContact CE2-CD 3.44Å; W280-E541 HydrophobicContact CH2-CG 4.06Å; W280-E541 HydrophobicContact CZ2-CB 3.92Å; W280-E541 HydrophobicContact CZ2-CG 3.29Å; W280-E541 VanDerWaalsContact CZ2-N 3.31Å; W280-E541 WeakPolarHBondContact CZ2-OE1 3.38Å; W280-E541 PolarHBondContact NE1-OE1 3.07Å; W280-E541 PolarHBondContact NE1-OE2 3.29Å
281	L	79.8	Confident	61.5	Low	0 Å²	0	65.3 Å²	65.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-67.3	-42.4	-177.1	176.5	135.2	0	0	0	108.3	W279 I284 A285 L470 I480 Y481 L537	W279-L281 PolarHBondContact O-N 3.07Å; W279-L281 VanDerWaalsContact O-N 3.1Å; L281-I284 PolarHBondContact O-N 2.97Å; L281-A285 WeakPolarHBondContact O-CB 3.12Å; L281-A285 PolarHBondContact O-N 3.29Å; L281-L470 HydrophobicContact CD2-CD1 3.85Å; L281-I480 HydrophobicContact CD2-CG2 4.11Å; L281-Y481 HydrophobicContact CB-CE1 4.02Å; L281-Y481 HydrophobicContact CB-CE2 4.5Å; L281-Y481 HydrophobicContact CD1-CD1 3.51Å; L281-Y481 HydrophobicContact CD1-CD2 4.28Å; L281-Y481 HydrophobicContact CD1-CE1 3.5Å; L281-Y481 HydrophobicContact CD1-CE2 4.34Å; L281-Y481 HydrophobicContact CD1-CG 3.88Å; L281-Y481 HydrophobicContact CD2-CE2 4.4Å; L281-Y481 HydrophobicContact CG-CE1 4.28Å; L281-L537 HydrophobicContact CD1-CD1 4.49Å
282	D	77.4	Confident	62.7	Low	3 Å²	3	59.7 Å²	59.7	2%	0.016	29%	0.29	C	S	.	.	H	α-helix	trans	-67.2	-45.1	179.2	-168.4	91.1	0	0	0	112	W279 W280 I284 A285 K286 A464 L465 F466 L470	W279-D282 HydrophobicContact CB-CB 4.09Å; W279-D282 CarbonylContact O-C 3.58Å; W279-D282 WeakPolarHBondContact O-CA 3.46Å; W279-D282 WeakPolarHBondContact O-CB 3.04Å; W279-D282 PolarHBondContact O-N 3.43Å; W280-D282 VanDerWaalsContact C-N 3.25Å; W280-D282 PolarHBondContact O-N 2.85Å; D282-I284 VanDerWaalsContact C-N 3.32Å; D282-I284 PolarHBondContact O-N 3.19Å; D282-A285 CarbonylContact O-C 3.53Å; D282-A285 PolarHBondContact O-N 2.96Å; D282-A285 VanDerWaalsContact O-N 3.16Å; D282-K286 VanDerWaalsContact O-CB 3.27Å; D282-K286 WeakPolarHBondContact O-CB 3.33Å; D282-K286 PolarHBondContact O-N 3.45Å; D282-A464 HydrophobicContact CB-CB 4.07Å; D282-A464 WeakPolarHBondContact OD2-CA 3.5Å; D282-A464 WeakPolarHBondContact OD2-CB 3.29Å; D282-L465 PolarHBondContact OD1-N 3.46Å; D282-L465 VanDerWaalsContact OD1-N 3.1Å; D282-L465 PolarHBondContact OD2-N 3.27Å; D282-F466 PolarHBondContact OD1-N 3.07Å; D282-L470 HydrophobicContact CB-CD1 3.67Å; D282-L470 WeakPolarHBondContact OD1-CD1 3.28Å
283	T	76.4	Confident	63.8	Low	37 Å²	37	53.3 Å²	53.3	23%	0.227	27%	0.265	C	S	.	.	H	α-helix	trans	-58	-45.2	175	-53.5	0	0	0	0	110.8	W279 W280 L287 W398	W279-T283 PolarHBondContact O-N 3.3Å; W279-T283 PolarHBondContact O-OG1 2.81Å; W280-T283 PolarHBondContact O-N 2.91Å; T283-L287 WeakPolarHBondContact O-CB 3.03Å; T283-L287 PolarHBondContact O-N 3.08Å; T283-W398 HydrophobicContact CG2-CB 4.17Å; T283-W398 HydrophobicContact CG2-CE3 4.36Å
284	I	80.9	Confident	64.2	Low	3 Å²	3	51.7 Å²	51.7	2%	0.015	25%	0.253	C	S	.	.	H	α-helix	trans	-68.8	-41.1	176	-64.9	-150	0	0	0	111.3	W280 L281 D282 K286 L287 L288 L399 L536 L537 M540	W280-I284 WeakPolarHBondContact O-CG1 3.31Å; W280-I284 PolarHBondContact O-N 3.1Å; L281-I284 PolarHBondContact O-N 2.97Å; D282-I284 VanDerWaalsContact C-N 3.32Å; D282-I284 PolarHBondContact O-N 3.19Å; I284-K286 VanDerWaalsContact C-N 3.34Å; I284-L287 WeakPolarHBondContact O-CB 3.36Å; I284-L287 PolarHBondContact O-N 3.13Å; I284-L288 HydrophobicContact CG2-CD1 3.62Å; I284-L288 HydrophobicContact CG2-CG 4.13Å; I284-L288 VanDerWaalsContact O-CB 3.29Å; I284-L288 WeakPolarHBondContact O-CB 3.35Å; I284-L288 WeakPolarHBondContact O-CG 3.3Å; I284-L288 PolarHBondContact O-N 3.1Å; I284-L399 HydrophobicContact CD1-CD2 3.4Å; I284-L399 HydrophobicContact CG1-CD2 3.68Å; I284-L536 HydrophobicContact CD1-CD1 3.66Å; I284-L536 HydrophobicContact CD1-CG 4.19Å; I284-L536 HydrophobicContact CG2-CD1 4.38Å; I284-L536 HydrophobicContact CG2-CD2 4.18Å; I284-L536 HydrophobicContact CG2-CG 4.36Å; I284-L537 HydrophobicContact CG2-CD2 4.41Å; I284-M540 HydrophobicContact CB-CE 4.48Å; I284-M540 HydrophobicContact CD1-CE 3.21Å; I284-M540 HydrophobicContact CD1-SD 3.5Å; I284-M540 VanDerWaalsContact CD1-SD 3.5Å; I284-M540 HydrophobicContact CG1-CE 3.85Å; I284-M540 HydrophobicContact CG1-SD 4.02Å
285	A	81.1	Confident	64.6	Low	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.6	-42.1	178.7	0	0	0	0	0	110.4	L281 D282 L288 H289 V437 L465	L281-A285 WeakPolarHBondContact O-CB 3.12Å; L281-A285 PolarHBondContact O-N 3.29Å; D282-A285 CarbonylContact O-C 3.53Å; D282-A285 PolarHBondContact O-N 2.96Å; D282-A285 VanDerWaalsContact O-N 3.16Å; A285-L288 PolarHBondContact O-N 2.87Å; A285-H289 WeakPolarHBondContact O-CA 3.07Å; A285-H289 WeakPolarHBondContact O-CB 3.41Å; A285-H289 PolarHBondContact O-N 3.07Å; A285-V437 HydrophobicContact CB-CG1 4.3Å; A285-L465 HydrophobicContact CB-CD2 3.62Å
286	K	79.3	Confident	64.2	Low	21 Å²	21	51.4 Å²	51.4	9%	0.091	26%	0.262	C	S	.	.	H	α-helix	trans	-62.3	-50.9	174.7	-170.6	172.6	-173.1	-179	0	111.4	D282 I284 L288 H289 S290 D460 D461 T463 L465	D282-K286 VanDerWaalsContact O-CB 3.27Å; D282-K286 WeakPolarHBondContact O-CB 3.33Å; D282-K286 PolarHBondContact O-N 3.45Å; I284-K286 VanDerWaalsContact C-N 3.34Å; K286-L288 VanDerWaalsContact C-N 3.29Å; K286-L288 PolarHBondContact O-N 2.97Å; K286-H289 PolarHBondContact O-N 3.29Å; K286-H289 VanDerWaalsContact O-N 3.16Å; K286-S290 WeakPolarHBondContact O-CB 3.25Å; K286-S290 PolarHBondContact O-N 2.75Å; K286-S290 PolarHBondContact O-OG 3.31Å; K286-D460 PolarHBondContact NZ-O 2.84Å; K286-D461 PolarHBondContact NZ-O 3.19Å; K286-T463 WeakPolarHBondContact CD-O 3.41Å; K286-T463 WeakPolarHBondContact CE-O 3.48Å; K286-T463 PolarHBondContact NZ-O 2.86Å; K286-L465 HydrophobicContact CB-CB 3.91Å; K286-L465 HydrophobicContact CG-CB 4.46Å
287	L	77.2	Confident	63.9	Low	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-50.1	-49.8	175.1	175.2	74.5	0	0	0	112	T283 I284 H291 Y395 W398 L399 F430	T283-L287 WeakPolarHBondContact O-CB 3.03Å; T283-L287 PolarHBondContact O-N 3.08Å; I284-L287 WeakPolarHBondContact O-CB 3.36Å; I284-L287 PolarHBondContact O-N 3.13Å; L287-H291 PolarHBondContact O-N 3.43Å; L287-Y395 HydrophobicContact CD1-CD1 2.92Å; L287-Y395 HydrophobicContact CD1-CD2 4.23Å; L287-Y395 HydrophobicContact CD1-CE1 3.3Å; L287-Y395 HydrophobicContact CD1-CG 3.4Å; L287-Y395 HydrophobicContact CG-CD1 4.21Å; L287-Y395 HydrophobicContact CG-CE1 4.41Å; L287-Y395 HydrophobicContact CG-CG 4.4Å; L287-W398 HydrophobicContact CB-CE3 3.97Å; L287-W398 HydrophobicContact CB-CZ3 4.16Å; L287-W398 HydrophobicContact CD1-CD2 4.36Å; L287-W398 HydrophobicContact CD1-CE3 3.57Å; L287-W398 HydrophobicContact CD1-CZ3 3.97Å; L287-W398 HydrophobicContact CG-CE3 4.38Å; L287-L399 HydrophobicContact CD2-CD1 3.88Å; L287-L399 HydrophobicContact CD2-CD2 4.09Å; L287-L399 HydrophobicContact CD2-CG 4.04Å; L287-F430 HydrophobicContact CD2-CE2 4.21Å; L287-F430 HydrophobicContact CD2-CZ 4.36Å; L287-F430 HydrophobicContact CG-CE2 4.44Å; L287-F430 HydrophobicContact CG-CZ 4.09Å
288	L	78.6	Confident	62.9	Low	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-72.6	-38.9	179.7	-69.6	175.1	0	0	0	111.1	I284 A285 K286 F407 F430 A433 V434 V437 I488 L536	I284-L288 HydrophobicContact CG2-CD1 3.62Å; I284-L288 HydrophobicContact CG2-CG 4.13Å; I284-L288 VanDerWaalsContact O-CB 3.29Å; I284-L288 WeakPolarHBondContact O-CB 3.35Å; I284-L288 WeakPolarHBondContact O-CG 3.3Å; I284-L288 PolarHBondContact O-N 3.1Å; A285-L288 PolarHBondContact O-N 2.87Å; K286-L288 VanDerWaalsContact C-N 3.29Å; K286-L288 PolarHBondContact O-N 2.97Å; L288-F407 HydrophobicContact CD2-CZ 4.44Å; L288-F430 HydrophobicContact CD2-CD1 4.29Å; L288-F430 HydrophobicContact CD2-CD2 4.19Å; L288-F430 HydrophobicContact CD2-CE1 3.8Å; L288-F430 HydrophobicContact CD2-CE2 3.78Å; L288-F430 HydrophobicContact CD2-CG 4.44Å; L288-F430 HydrophobicContact CD2-CZ 3.57Å; L288-A433 HydrophobicContact CD1-CB 3.99Å; L288-A433 HydrophobicContact CD2-CB 3.9Å; L288-V434 HydrophobicContact CB-CG2 4.3Å; L288-V434 HydrophobicContact CD2-CG2 3.77Å; L288-V434 WeakPolarHBondContact O-CG1 3.14Å; L288-V434 WeakPolarHBondContact O-CG2 3.35Å; L288-V437 HydrophobicContact CB-CB 4.04Å; L288-V437 HydrophobicContact CB-CG1 4.32Å; L288-V437 HydrophobicContact CB-CG2 3.84Å; L288-V437 HydrophobicContact CD1-CG2 3.61Å; L288-V437 HydrophobicContact CG-CG2 4.39Å; L288-I488 HydrophobicContact CD1-CD1 4.36Å; L288-L536 HydrophobicContact CD1-CD2 4.44Å
289	H	77.8	Confident	61.8	Low	41 Å²	41	45.1 Å²	45.1	19%	0.19	27%	0.269	C	S	.	.	H	α-helix	trans	-69.8	-38.6	-178.8	-170.4	-89.5	0	0	0	112.4	A285 K286 H291 V437 R438 Q457 L465	A285-H289 WeakPolarHBondContact O-CA 3.07Å; A285-H289 WeakPolarHBondContact O-CB 3.41Å; A285-H289 PolarHBondContact O-N 3.07Å; K286-H289 PolarHBondContact O-N 3.29Å; K286-H289 VanDerWaalsContact O-N 3.16Å; H289-H291 VanDerWaalsContact C-N 3.34Å; H289-V437 HydrophobicContact CB-CG1 4.09Å; H289-R438 PolarHBondContact O-NE 3.07Å; H289-R438 PolarHBondContact O-NH2 2.91Å; H289-Q457 PolarHBondContact CE1-NE2 3.07Å; H289-Q457 PolarHBondContact CE1-OE1 3.21Å; H289-Q457 PolarHBondContact NE2-NE2 3.16Å; H289-Q457 VanDerWaalsContact NE2-NE2 3.14Å; H289-L465 HydrophobicContact CB-CD1 4.17Å; H289-L465 HydrophobicContact CB-CD2 4.17Å
290	S	71.7	Confident	60.3	Low	60 Å²	60	48 Å²	48	42%	0.42	28%	0.28	S	S	.	.	S	Bend	trans	-83.9	-5.2	-179.4	70.9	0	0	0	0	114	K286 P292	K286-S290 WeakPolarHBondContact O-CB 3.25Å; K286-S290 PolarHBondContact O-N 2.75Å; K286-S290 PolarHBondContact O-OG 3.31Å; S290-P292 WeakPolarHBondContact O-CD 3.31Å
291	H	66.2	Low	58.8	Low	7 Å²	7	50.5 Å²	50.5	3%	0.032	30%	0.3	C	S	.	.	S	Bend	trans	-61.2	121.2	175	-167.8	-77.1	0	0	0	109.8	L287 H289 L293 Y395 F430 V434 R438	L287-H291 PolarHBondContact O-N 3.43Å; H289-H291 VanDerWaalsContact C-N 3.34Å; H291-L293 PolarHBondContact O-N 3.46Å; H291-Y395 AromaticContact CD2-CE2 3.35Å; H291-Y395 WeakPolarHBondContact CD2-CE2 3.12Å; H291-Y395 AromaticContact CD2-CZ 3.58Å; H291-Y395 PolarHBondContact CD2-OH 3.43Å; H291-Y395 AromaticContact NE2-CE2 3.84Å; H291-F430 HydrophobicContact CB-CE1 4.05Å; H291-F430 AromaticContact CD2-CD1 3.69Å; H291-F430 AromaticContact CD2-CE1 3.08Å; H291-F430 WeakPolarHBondContact CD2-CE1 3.44Å; H291-F430 AromaticContact CD2-CZ 3.96Å; H291-F430 AromaticContact CG-CE1 3.71Å; H291-F430 AromaticContact NE2-CD1 3.94Å; H291-F430 AromaticContact NE2-CE1 3.79Å; H291-V434 HydrophobicContact CB-CB 4.37Å; H291-V434 HydrophobicContact CB-CG1 3.99Å; H291-V434 HydrophobicContact CB-CG2 3.47Å; H291-V434 VanDerWaalsContact CB-CG2 3.47Å; H291-R438 VanDerWaalsContact O-CZ 3.3Å; H291-R438 PolarHBondContact O-NH2 2.86Å
292	P	58.3	Low	57	Low	41 Å²	41	52.9 Å²	52.9	27%	0.266	31%	0.313	S	S	.	.			trans	-66.6	113.8	171.3	22.7	-22.2	0	0	0	107.2	S290 T294	S290-P292 WeakPolarHBondContact O-CD 3.31Å; P292-T294 PolarHBondContact O-N 3.1Å
293	L	50.1	Low	55.4	Low	48 Å²	48	58.7 Å²	58.7	25%	0.251	34%	0.34	S	S	.	.			trans	-60.9	120.6	165.9	-71.6	174.3	0	0	0	106.7	H291 L295 V434 V435 R438	H291-L293 PolarHBondContact O-N 3.46Å; L293-L295 HydrophobicContact CB-CB 4.31Å; L293-L295 HydrophobicContact CB-CD1 4.15Å; L293-L295 HydrophobicContact CD1-CD1 4.33Å; L293-L295 HydrophobicContact CD2-CD1 4.39Å; L293-L295 PolarHBondContact O-N 2.97Å; L293-V434 HydrophobicContact CD2-CB 4.32Å; L293-V434 HydrophobicContact CD2-CG1 3.55Å; L293-V434 HydrophobicContact CG-CG1 3.98Å; L293-V435 HydrophobicContact CD1-CG2 4.29Å; L293-V435 HydrophobicContact CD2-CG2 3.91Å; L293-R438 VanDerWaalsContact CD1-NH1 3.34Å
294	T	42.8	Very low	54.2	Low	56 Å²	56	61.6 Å²	61.6	34%	0.344	35%	0.354	S	S	.	.			trans	-76.6	66.6	169.3	50.6	0	0	0	0	108.1	P292 I388	P292-T294 PolarHBondContact O-N 3.1Å; T294-I388 HydrophobicContact CG2-CD1 4.47Å
295	L	37.8	Very low	53.1	Low	128 Å²	128	62.9 Å²	62.9	67%	0.67	36%	0.363	S	S	*	.			trans	-124.3	39.9	-179.1	-87	159.7	0	0	0	110.4	L293 G297	L293-L295 HydrophobicContact CB-CB 4.31Å; L293-L295 HydrophobicContact CB-CD1 4.15Å; L293-L295 HydrophobicContact CD1-CD1 4.33Å; L293-L295 HydrophobicContact CD2-CD1 4.39Å; L293-L295 PolarHBondContact O-N 2.97Å; L295-G297 VanDerWaalsContact C-N 3.27Å; L295-G297 PolarHBondContact O-N 3.43Å
296	T	30.1	Very low	52	Low	117 Å²	117	64.6 Å²	64.6	72%	0.718	37%	0.371	S	S	*	.	S	Bend	trans	-65	91.1	167.1	51.6	0	0	0	0	109.4	N298	T296-N298 VanDerWaalsContact C-N 3.27Å; T296-N298 PolarHBondContact O-N 3.48Å
297	G	32.7	Very low	51.3	Low	75 Å²	75	64 Å²	64	77%	0.773	37%	0.369	S	S	*	.	S	Bend	trans	72.1	-40.7	150.4	0	0	0	0	0	118.9	L295	L295-G297 VanDerWaalsContact C-N 3.27Å; L295-G297 PolarHBondContact O-N 3.43Å
298	N	28.6	Very low	50.8	Low	146 Å²	146	67.3 Å²	67.3	78%	0.781	38%	0.384	S	S	*	.	S	Bend	trans	-139.8	134.4	179.2	-80.2	-24.4	0	0	0	107.6	T296 R300	T296-N298 VanDerWaalsContact C-N 3.27Å; T296-N298 PolarHBondContact O-N 3.48Å; N298-R300 VanDerWaalsContact C-N 3.35Å; N298-R300 PolarHBondContact O-N 3.14Å
299	S	31.3	Very low	50.3	Low	72 Å²	72	68.6 Å²	68.6	50%	0.503	39%	0.391	S	S	.	.			trans	-50.3	86.6	-176.9	55.8	0	0	0	0	113.4	S301 I373	S299-S301 PolarHBondContact O-N 3.47Å; S299-I373 VanDerWaalsContact OG-CD1 3.25Å; S299-I373 WeakPolarHBondContact OG-CD1 3.45Å
300	R	35.9	Very low	49.6	Very low	132 Å²	132	70.7 Å²	70.7	50%	0.498	40%	0.398	S	S	.	.			trans	-76.3	72.3	154.8	-70.5	-174.4	178.8	-171.6	-3.4	106.1	N298 L302 D380 I384	N298-R300 VanDerWaalsContact C-N 3.35Å; N298-R300 PolarHBondContact O-N 3.14Å; R300-L302 PolarHBondContact O-N 3.34Å; R300-D380 IonicContact CZ-OD2 2.77Å; R300-D380 IonicContact NH1-OD2 2.9Å; R300-D380 PolarHBondContact NH1-OD2 2.84Å; R300-D380 IonicContact NH2-OD2 3.26Å; R300-D380 PolarHBondContact NH2-OD2 2.66Å; R300-D380 VanDerWaalsContact NH2-OD2 3.15Å; R300-I384 VanDerWaalsContact NH1-CD1 3.34Å
301	S	39.9	Very low	48.8	Very low	73 Å²	73	70.6 Å²	70.6	51%	0.51	40%	0.401	S	S	.	.			trans	-57.4	114	161.7	54.2	0	0	0	0	105.5	S299 H303	S299-S301 PolarHBondContact O-N 3.47Å; S301-H303 PolarHBondContact O-N 2.77Å
302	L	43.4	Very low	48.1	Very low	51 Å²	51	78.5 Å²	78.5	27%	0.267	44%	0.437	S	S	.	.			trans	-47.8	122.6	158	-84	150.7	0	0	0	106.1	R300 N304 I388 L427	R300-L302 PolarHBondContact O-N 3.34Å; L302-N304 PolarHBondContact O-N 2.97Å; L302-I388 HydrophobicContact CD1-CD1 3.89Å; L302-L427 HydrophobicContact CD1-CD2 3.29Å
303	H	43.5	Very low	47.6	Very low	124 Å²	124	83.9 Å²	83.9	57%	0.574	46%	0.464	S	S	*	.	S	Bend	trans	-56.7	-23.2	-176.4	-160.7	74	0	0	0	111.1	S301 F374	S301-H303 PolarHBondContact O-N 2.77Å; H303-F374 AromaticContact CE1-CE1 3.84Å
304	N	51.5	Low	47.1	Very low	99 Å²	99	86.5 Å²	86.5	53%	0.529	48%	0.479	S	S	.	.			trans	-129.9	114	169.5	-150.2	-5.1	0	0	0	109.7	L302 I306	L302-N304 PolarHBondContact O-N 2.97Å; N304-I306 PolarHBondContact O-N 3.35Å
305	P	57.8	Low	46.7	Very low	30 Å²	30	92.5 Å²	92.5	20%	0.195	50%	0.502	C	S	.	.	S	Bend	trans	-73.2	-2.1	176.1	33.1	-36.7	0	0	0	112.3	L427 A428 D501	P305-L427 WeakPolarHBondContact O-CB 3.42Å; P305-L427 PolarHBondContact O-N 2.73Å; P305-A428 HydrophobicContact CB-CB 3.88Å; P305-D501 VanDerWaalsContact CG-OD2 3.24Å; P305-D501 WeakPolarHBondContact CG-OD2 3.26Å
306	I	56.8	Low	46.3	Very low	36 Å²	36	89.9 Å²	89.9	19%	0.185	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	115.9	177.4	-58.2	177.4	0	0	0	109.4	N304 T409 K424 F425 D501	N304-I306 PolarHBondContact O-N 3.35Å; I306-T409 HydrophobicContact CD1-CG2 4.3Å; I306-T409 HydrophobicContact CG1-CG2 4.38Å; I306-K424 HydrophobicContact CG2-CB 3.51Å; I306-K424 HydrophobicContact CG2-CD 3.82Å; I306-K424 HydrophobicContact CG2-CG 3.57Å; I306-F425 WeakPolarHBondContact CA-O 3.05Å; I306-D501 WeakPolarHBondContact CD1-OD2 3.49Å; I306-D501 VanDerWaalsContact CG1-OD2 3.26Å; I306-D501 WeakPolarHBondContact CG1-OD2 3.38Å
307	I	66.1	Low	46.3	Very low	7 Å²	7	88.8 Å²	88.8	4%	0.036	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	120.7	174.5	-61.4	174.3	0	0	0	108.8	I309 I388 R389 I392 F425 L427	I307-I309 PolarHBondContact O-N 2.87Å; I307-I388 HydrophobicContact CD1-CB 4.3Å; I307-I388 HydrophobicContact CD1-CG2 3.36Å; I307-R389 HydrophobicContact CG2-CG 4.01Å; I307-I392 HydrophobicContact CB-CD1 4.38Å; I307-I392 HydrophobicContact CD1-CD1 3.76Å; I307-I392 HydrophobicContact CG2-CD1 4.33Å; I307-F425 HydrophobicContact CB-CB 4.42Å; I307-F425 PolarHBondContact N-O 3.37Å; I307-F425 VanDerWaalsContact N-O 3.08Å; I307-F425 PolarHBondContact O-N 3.02Å; I307-L427 HydrophobicContact CD1-CB 4.43Å; I307-L427 HydrophobicContact CD1-CD2 3.96Å
308	E	67	Low	46.1	Very low	70 Å²	70	88.8 Å²	88.8	33%	0.327	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	122.8	173.7	-63.9	-172	162.7	0	0	110.8	Y310 R389 P422 K424	E308-Y310 HydrophobicContact CB-CE1 4.24Å; E308-Y310 PolarHBondContact OE2-OH 3.2Å; E308-R389 PolarHBondContact O-NH1 3.05Å; E308-P422 HydrophobicContact CB-CB 4.47Å; E308-P422 HydrophobicContact CB-CG 4.35Å; E308-P422 HydrophobicContact CG-CG 4.48Å; E308-K424 HydrophobicContact CG-CG 4.34Å
309	I	66.1	Low	46.1	Very low	27 Å²	27	88 Å²	88	14%	0.138	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	108.3	175.6	-55.2	159.9	0	0	0	108.5	I307 I392 W404 L408 A423 F425	I307-I309 PolarHBondContact O-N 2.87Å; I309-I392 HydrophobicContact CD1-CG2 4.26Å; I309-I392 HydrophobicContact CG1-CG2 4.3Å; I309-W404 HydrophobicContact CD1-CZ2 3.59Å; I309-L408 HydrophobicContact CD1-CD2 3.77Å; I309-A423 VanDerWaalsContact CB-O 3.3Å; I309-A423 WeakPolarHBondContact CB-O 3.31Å; I309-A423 WeakPolarHBondContact CG1-O 3.19Å; I309-A423 PolarHBondContact N-O 3.33Å; I309-F425 HydrophobicContact CD1-CB 3.81Å; I309-F425 HydrophobicContact CD1-CD2 4.39Å; I309-F425 HydrophobicContact CG1-CB 4.13Å
310	Y	63.6	Low	45.8	Very low	86 Å²	86	89.2 Å²	89.2	34%	0.337	48%	0.477	S	S	.	.			trans	-74.1	142.5	171.4	-52.4	-66.2	0	0	0	110.5	E308 P422	E308-Y310 HydrophobicContact CB-CE1 4.24Å; E308-Y310 PolarHBondContact OE2-OH 3.2Å; Y310-P422 HydrophobicContact CD1-CB 4.28Å; Y310-P422 HydrophobicContact CE1-CB 4.48Å; Y310-P422 HydrophobicContact CE1-CG 4.47Å
311	A	54.6	Low	45.3	Very low	58 Å²	58	89.8 Å²	89.8	48%	0.479	49%	0.487	S	S	.	.			trans	-70.3	143.3	171.4	0	0	0	0	0	109.6	N313 N314	A311-N313 PolarHBondContact O-N 3.09Å; A311-N314 PolarHBondContact O-N 2.91Å; A311-N314 VanDerWaalsContact O-O 3.09Å
312	E	51.9	Low	44.7	Very low	172 Å²	172	91.2 Å²	91.2	80%	0.804	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-21.8	-180	-73.5	171.5	-173.5	0	0	113.6
313	N	47.6	Very low	44	Very low	155 Å²	155	92.9 Å²	92.9	83%	0.829	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-15	177.9	-68.8	1.9	0	0	0	114.1	A311	A311-N313 PolarHBondContact O-N 3.09Å
314	N	41.1	Very low	43.3	Very low	103 Å²	103	96 Å²	96	55%	0.551	53%	0.525	S	S	*	.	S	Bend	trans	-89.1	113	169	-68.4	2.7	0	0	0	104.6	A311 S316	A311-N314 PolarHBondContact O-N 2.91Å; A311-N314 VanDerWaalsContact O-O 3.09Å; N314-S316 PolarHBondContact O-N 3.23Å
315	Q	33.6	Very low	42.1	Very low	181 Å²	181	96.7 Å²	96.7	85%	0.846	53%	0.533	S	S	*	.			trans	-39.3	113.3	160	-77	157.3	-24.2	0	0	106
316	S	30	Very low	40.5	Very low	74 Å²	74	102.2 Å²	102.2	52%	0.517	56%	0.558	S	S	.	*			trans	-37.2	140.1	155.2	43.9	0	0	0	0	106.1	N314 S318	N314-S316 PolarHBondContact O-N 3.23Å; S316-S318 PolarHBondContact O-N 3.5Å
317	P	30	Very low	39.1	Very low	94 Å²	94	105.9 Å²	105.9	61%	0.61	58%	0.577	S	S	*	*			trans	-53.5	100.5	169	22.6	-29.4	0	0	0	104.8	I319	P317-I319 PolarHBondContact O-N 3.46Å
318	S	28.3	Very low	37.2	Very low	74 Å²	74	109.4 Å²	109.4	52%	0.517	60%	0.6	S	S	.	*			trans	-64.5	102	168.3	46	0	0	0	0	97.9	S316 T320	S316-S318 PolarHBondContact O-N 3.5Å; S318-T320 PolarHBondContact O-N 2.99Å
319	I	27.9	Very low	35.3	Very low	129 Å²	129	116.2 Å²	116.2	66%	0.662	62%	0.623	S	S	*	*			trans	-60.2	84.2	146.4	-49	173.3	0	0	0	101.6	P317 M321	P317-I319 PolarHBondContact O-N 3.46Å; I319-M321 HydrophobicContact CB-CG 4.42Å; I319-M321 HydrophobicContact CG2-CE 3.95Å; I319-M321 HydrophobicContact CG2-CG 3.84Å; I319-M321 HydrophobicContact CG2-SD 4.15Å; I319-M321 PolarHBondContact O-N 3.33Å
320	T	25.3	Very low	33.8	Very low	99 Å²	99	122.7 Å²	122.7	61%	0.607	66%	0.658	S	S	*	*			trans	-58.3	88.2	154.7	40.5	0	0	0	0	101.5	S318 N322	S318-T320 PolarHBondContact O-N 2.99Å; T320-N322 PolarHBondContact O-N 3.43Å
321	M	26.2	Very low	32	Very low	144 Å²	144	126.2 Å²	126.2	71%	0.709	68%	0.675	S	S	*	*			trans	-62.4	89.6	174.1	-77.1	-93.8	178.6	0	0	104.3	I319 A323	I319-M321 HydrophobicContact CB-CG 4.42Å; I319-M321 HydrophobicContact CG2-CE 3.95Å; I319-M321 HydrophobicContact CG2-CG 3.84Å; I319-M321 HydrophobicContact CG2-SD 4.15Å; I319-M321 PolarHBondContact O-N 3.33Å; M321-A323 PolarHBondContact O-N 2.03Å; M321-A323 VanDerWaalsContact O-N 3.07Å
322	N	26.1	Very low	30.8	Very low	102 Å²	102	127.5 Å²	127.5	55%	0.545	68%	0.677	S	S	.	*			trans	-64	110.8	166.2	-71	-1.8	0	0	0	104.7	T320 E324 T325	T320-N322 PolarHBondContact O-N 3.43Å; N322-E324 PolarHBondContact O-N 3.34Å; N322-T325 PolarHBondContact O-N 2.98Å; N322-T325 VanDerWaalsContact O-N 3.07Å; N322-T325 PolarHBondContact O-OG1 2.99Å
323	A	29.2	Very low	29.4	Very low	87 Å²	87	128.5 Å²	128.5	72%	0.719	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-54.8	-19.4	177.5	0	0	0	0	0	112.3	M321	M321-A323 PolarHBondContact O-N 2.03Å; M321-A323 VanDerWaalsContact O-N 3.07Å
324	E	27.8	Very low	28.4	Very low	189 Å²	189	124.8 Å²	124.8	88%	0.883	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-78.2	-13.3	179.6	-64.8	-180	173.9	0	0	114.8	N322	N322-E324 PolarHBondContact O-N 3.34Å
325	T	28.1	Very low	27.5	Very low	114 Å²	114	126.7 Å²	126.7	70%	0.699	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-103.2	13.4	175.1	56.9	0	0	0	0	113.9	N322 I327	N322-T325 PolarHBondContact O-N 2.98Å; N322-T325 VanDerWaalsContact O-N 3.07Å; N322-T325 PolarHBondContact O-OG1 2.99Å; T325-I327 PolarHBondContact O-N 3.31Å
326	M	23.7	Very low	27.1	Very low	145 Å²	145	125 Å²	125	71%	0.714	69%	0.686	S	S	*	*			trans	-70	107.5	164.2	-86.4	-172.9	166.2	0	0	109.6	P328	M326-P328 VanDerWaalsContact O-CD 3.24Å; M326-P328 WeakPolarHBondContact O-CD 3.44Å
327	I	27.7	Very low	27	Very low	113 Å²	113	132.1 Å²	132.1	58%	0.579	70%	0.703	S	S	*	*			trans	-75.5	113.4	159.6	-59.4	174.5	0	0	0	105.9	T325 K331	T325-I327 PolarHBondContact O-N 3.31Å; I327-K331 HydrophobicContact CG2-CB 3.38Å
328	P	26.6	Very low	26.6	Very low	82 Å²	82	135.3 Å²	135.3	53%	0.532	71%	0.71	S	S	.	*			trans	-58	147.3	178	-22.6	34.8	0	0	0	110.4	M326 N330 K331	M326-P328 VanDerWaalsContact O-CD 3.24Å; M326-P328 WeakPolarHBondContact O-CD 3.44Å; P328-N330 PolarHBondContact O-N 3.14Å; P328-K331 PolarHBondContact O-N 3.03Å
329	W	26.6	Very low	26.5	Very low	213 Å²	213	139.8 Å²	139.8	81%	0.807	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-47.3	-27.2	-173.8	-76.1	62.5	0	0	0	114.3	K331	W329-K331 VanDerWaalsContact C-N 3.28Å; W329-K331 PolarHBondContact O-N 3.42Å
330	N	33.5	Very low	26.4	Very low	162 Å²	162	140.3 Å²	140.3	87%	0.866	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-77.1	-6.6	-180	-55.1	0.2	0	0	0	114	P328	P328-N330 PolarHBondContact O-N 3.14Å
331	K	26.6	Very low	26.4	Very low	161 Å²	161	145.8 Å²	145.8	70%	0.7	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-111.5	4.3	180	-77	-172.2	179.9	-175.8	0	113.9	I327 P328 W329 Q333	I327-K331 HydrophobicContact CG2-CB 3.38Å; P328-K331 PolarHBondContact O-N 3.03Å; W329-K331 VanDerWaalsContact C-N 3.28Å; W329-K331 PolarHBondContact O-N 3.42Å; K331-Q333 PolarHBondContact O-N 3.42Å
332	V	28.5	Very low	26.2	Very low	84 Å²	84	147 Å²	147	51%	0.509	74%	0.741	S	S	.	*			trans	-82.6	96.6	173.8	-173	0	0	0	0	108.8	L335	V332-L335 HydrophobicContact CG1-CD1 4.35Å
333	Q	22.3	Very low	26	Very low	193 Å²	193	149.5 Å²	149.5	90%	0.902	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	132.1	176.6	-71.7	-177.5	-18.3	0	0	110.9	K331	K331-Q333 PolarHBondContact O-N 3.42Å
334	G	26.8	Very low	25.8	Very low	78 Å²	78	149.4 Å²	149.4	80%	0.804	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	110.3	4	163	0	0	0	0	0	118.1	N336	G334-N336 VanDerWaalsContact C-N 3.26Å; G334-N336 PolarHBondContact O-N 2.77Å
335	L	23.6	Very low	25.4	Very low	142 Å²	142	145.8 Å²	145.8	74%	0.743	74%	0.736	S	S	*	*			trans	-79.6	73.4	172.7	-75.9	165.8	0	0	0	111.3	V332	V332-L335 HydrophobicContact CG1-CD1 4.35Å
336	N	24.2	Very low	25.3	Very low	147 Å²	147	147.3 Å²	147.3	79%	0.786	73%	0.73	S	S	*	*			trans	-95	119.9	163.5	-137.4	-3.8	0	0	0	108.4	G334 Q338	G334-N336 VanDerWaalsContact C-N 3.26Å; G334-N336 PolarHBondContact O-N 2.77Å; N336-Q338 PolarHBondContact O-N 3.26Å
337	Y	27.2	Very low	25.2	Very low	223 Å²	223	145.7 Å²	145.7	88%	0.875	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	31	-160.6	-141.5	-92.8	0	0	0	115.2
338	Q	23.5	Very low	25	Very low	160 Å²	160	146 Å²	146	75%	0.748	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.8	6.6	-161.9	-74.6	-83.5	-63.8	0	0	116.5	N336 E340	N336-Q338 PolarHBondContact O-N 3.26Å; Q338-E340 PolarHBondContact O-N 3.29Å
339	N	25.9	Very low	24.8	Very low	169 Å²	169	149.7 Å²	149.7	90%	0.904	74%	0.741	S	S	*	*			trans	-94.7	86.5	178.5	-73.3	-5.1	0	0	0	112.6
340	E	24.5	Very low	24.6	Very low	140 Å²	140	146.8 Å²	146.8	65%	0.654	74%	0.736	S	S	*	*			trans	-64.7	139.7	166.5	-74.3	-165	112	0	0	113	Q338	Q338-E340 PolarHBondContact O-N 3.29Å
341	R	25	Very low	24.1	Very low	214 Å²	214	146.2 Å²	146.2	81%	0.808	73%	0.732	S	S	*	*			trans	44.4	76.6	141.8	-55.2	-179.9	-137.8	-144.7	3.4	117.6
342	Q	22.3	Very low	23.9	Very low	168 Å²	168	147 Å²	147	79%	0.785	74%	0.738	S	S	*	*			trans	-96.2	116.8	155.9	-78.3	-177	-11.7	0	0	110.9	V344	Q342-V344 HydrophobicContact CB-CG2 4.31Å; Q342-V344 PolarHBondContact O-N 3.26Å
343	I	23.4	Very low	23.7	Very low	155 Å²	155	147 Å²	147	80%	0.795	75%	0.747	S	S	*	*			trans	-76.1	95.9	168.1	-59.2	166.7	0	0	0	106.4	P345	I343-P345 WeakPolarHBondContact O-CD 3.37Å
344	V	23.1	Very low	23.7	Very low	85 Å²	85	141.6 Å²	141.6	52%	0.515	74%	0.742	S	S	.	*			trans	-90.1	120.3	176.3	-169.5	0	0	0	0	108.8	Q342 Y346	Q342-V344 HydrophobicContact CB-CG2 4.31Å; Q342-V344 PolarHBondContact O-N 3.26Å; V344-Y346 PolarHBondContact O-N 2.87Å; V344-Y346 VanDerWaalsContact O-N 3.09Å
345	P	20.4	Very low	23.6	Very low	114 Å²	114	143.2 Å²	143.2	74%	0.74	74%	0.741	S	S	*	*			trans	-66.7	109	173.4	24.7	-29.3	0	0	0	109.3	I343 V347	I343-P345 WeakPolarHBondContact O-CD 3.37Å; P345-V347 PolarHBondContact O-N 2.79Å
346	Y	26.7	Very low	23.7	Very low	146 Å²	146	142.7 Å²	142.7	57%	0.573	74%	0.744	S	S	*	*			trans	-82.4	116.1	175.5	-173.1	-96.9	0	0	0	110.1	V344	V344-Y346 PolarHBondContact O-N 2.87Å; V344-Y346 VanDerWaalsContact O-N 3.09Å
347	V	20.6	Very low	23.8	Very low	111 Å²	111	143.3 Å²	143.3	67%	0.673	75%	0.748	S	S	*	*			trans	-81.1	121.8	168.5	-175.5	0	0	0	0	107	P345 H349	P345-V347 PolarHBondContact O-N 2.79Å; V347-H349 PolarHBondContact O-N 3.17Å
348	N	23.2	Very low	23.6	Very low	118 Å²	118	139.9 Å²	139.9	63%	0.631	74%	0.744	S	S	*	*			trans	-59.6	110.6	168.3	-76.2	-17.7	0	0	0	107.7	E350	N348-E350 PolarHBondContact O-N 2.83Å
349	H	22.6	Very low	23.8	Very low	161 Å²	161	139.4 Å²	139.4	75%	0.745	75%	0.747	S	S	*	*			trans	-65.6	84.4	160.6	-79.3	-68.4	0	0	0	107.7	V347 I351	V347-H349 PolarHBondContact O-N 3.17Å; H349-I351 PolarHBondContact O-N 2.8Å
350	E	22.1	Very low	24.1	Very low	151 Å²	151	139 Å²	139	71%	0.706	74%	0.744	S	S	*	*			trans	-60	116	151.7	-72.7	-173.8	172.3	0	0	105.8	N348 H352	N348-E350 PolarHBondContact O-N 2.83Å; E350-H352 VanDerWaalsContact C-N 3.3Å; E350-H352 PolarHBondContact O-N 2.91Å
351	I	23.5	Very low	24.3	Very low	151 Å²	151	141.1 Å²	141.1	77%	0.774	75%	0.754	S	S	*	*			trans	-57.6	99.6	174.3	-63.5	166	0	0	0	106.1	H349 A353	H349-I351 PolarHBondContact O-N 2.8Å; I351-A353 PolarHBondContact O-N 2.82Å
352	H	23.6	Very low	24.4	Very low	178 Å²	178	138.5 Å²	138.5	82%	0.824	76%	0.757	S	S	*	*			trans	-65.2	79	164.5	-71	-67.8	0	0	0	107.5	E350 G354	E350-H352 VanDerWaalsContact C-N 3.3Å; E350-H352 PolarHBondContact O-N 2.91Å; H352-G354 PolarHBondContact O-N 2.64Å
353	A	23.9	Very low	24.4	Very low	84 Å²	84	139 Å²	139	69%	0.694	76%	0.759	S	S	*	*			trans	-62.5	115.2	157.9	0	0	0	0	0	106	I351 S355	I351-A353 PolarHBondContact O-N 2.82Å; A353-S355 PolarHBondContact O-N 2.9Å
354	G	22.6	Very low	24.5	Very low	79 Å²	79	137.4 Å²	137.4	81%	0.814	76%	0.758	S	S	*	*			trans	-46	120.4	-166.8	0	0	0	0	0	113.8	H352	H352-G354 PolarHBondContact O-N 2.64Å
355	S	24.3	Very low	24.7	Very low	111 Å²	111	137.7 Å²	137.7	78%	0.776	76%	0.764	S	S	*	*			trans	-152.2	99.2	153.9	-161.6	0	0	0	0	108	A353 N357	A353-S355 PolarHBondContact O-N 2.9Å; S355-N357 PolarHBondContact O-N 2.9Å
356	T	24.4	Very low	24.9	Very low	131 Å²	131	139 Å²	139	80%	0.804	77%	0.77	S	S	*	*			trans	-58.4	106.4	163.5	42.5	0	0	0	0	108.6
357	N	26.5	Very low	24.8	Very low	161 Å²	161	142 Å²	142	86%	0.861	78%	0.781	S	S	*	*			trans	-165.7	128.7	140.3	-98.3	-22.8	0	0	0	112.2	S355	S355-N357 PolarHBondContact O-N 2.9Å
358	N	24.4	Very low	24.9	Very low	150 Å²	150	139.7 Å²	139.7	80%	0.802	78%	0.78	S	S	*	*			trans	-62.1	156.7	-178.9	-74.7	-32.7	0	0	0	112.8
359	N	27.6	Very low	25	Very low	150 Å²	150	144.7 Å²	144.7	80%	0.802	79%	0.79	S	S	*	*			trans	90.5	80.2	169.9	-52.7	-18.5	0	0	0	115.4
360	N	31	Very low	25.3	Very low	160 Å²	160	145 Å²	145	86%	0.856	79%	0.785	S	S	*	*			trans	-138.2	122.9	148.8	-90.3	-34.4	0	0	0	110.5
361	Q	28.5	Very low	25.4	Very low	185 Å²	185	147 Å²	147	86%	0.864	79%	0.786	S	S	*	*			trans	-64.4	135	-173.3	-69.2	170.9	-22.7	0	0	111.7	H363	Q361-H363 PolarHBondContact O-N 2.66Å
362	N	27.1	Very low	25.6	Very low	160 Å²	160	142.5 Å²	142.5	86%	0.856	76%	0.762	S	S	*	*			trans	-59.9	107.4	-177.9	-65.3	-27.5	0	0	0	112.3
363	H	24	Very low	25.7	Very low	179 Å²	179	137.3 Å²	137.3	83%	0.829	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-90.5	127	154.2	-73.1	-61	0	0	0	108.6	Q361 S365	Q361-H363 PolarHBondContact O-N 2.66Å; H363-S365 PolarHBondContact O-N 3.41Å
364	P	24.2	Very low	25.7	Very low	121 Å²	121	139.2 Å²	139.2	79%	0.786	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-66.3	119.7	-176	25	-30.9	0	0	0	110	V366	P364-V366 PolarHBondContact O-N 2.87Å
365	S	26.5	Very low	26	Very low	90 Å²	90	140.8 Å²	140.8	63%	0.629	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-65.7	122	170.2	47.2	0	0	0	0	108.8	H363 Y367	H363-S365 PolarHBondContact O-N 3.41Å; S365-Y367 PolarHBondContact O-N 3.17Å; S365-Y367 VanDerWaalsContact O-N 3.08Å
366	V	24.8	Very low	26.3	Very low	143 Å²	143	141 Å²	141	87%	0.867	72%	0.72	S	S	*	*			trans	-67.8	109.2	175.9	176.2	0	0	0	0	108	P364 G368	P364-V366 PolarHBondContact O-N 2.87Å; V366-G368 PolarHBondContact O-N 3.22Å; V366-G368 VanDerWaalsContact O-N 3.11Å
367	Y	26	Very low	26.6	Very low	207 Å²	207	141.7 Å²	141.7	81%	0.812	72%	0.718	S	S	*	*			trans	-57.2	111.8	173.2	-67.2	-88.2	0	0	0	110.1	S365	S365-Y367 PolarHBondContact O-N 3.17Å; S365-Y367 VanDerWaalsContact O-N 3.08Å
368	G	23.1	Very low	27.2	Very low	63 Å²	63	136.8 Å²	136.8	65%	0.649	70%	0.696	S	S	*	*			trans	-89.5	133.9	169.5	0	0	0	0	0	110.5	V366 R370	V366-G368 PolarHBondContact O-N 3.22Å; V366-G368 VanDerWaalsContact O-N 3.11Å; G368-R370 PolarHBondContact O-N 2.71Å
369	W	23.5	Very low	27.7	Very low	224 Å²	224	137.1 Å²	137.1	85%	0.848	69%	0.693	S	S	*	*			trans	-76.5	110.5	173.1	-59.9	94.4	0	0	0	110
370	R	29.7	Very low	28.6	Very low	166 Å²	166	133.9 Å²	133.9	63%	0.626	68%	0.675	S	S	*	*			trans	-98	117.7	165.5	-172.9	-173.9	-81	-136.1	-0.6	108.2	G368 Q372	G368-R370 PolarHBondContact O-N 2.71Å; R370-Q372 HydrophobicContact CG-CG 4.1Å; R370-Q372 PolarHBondContact O-N 2.83Å; R370-Q372 VanDerWaalsContact O-N 3.17Å
371	R	24.7	Very low	29.4	Very low	193 Å²	193	129 Å²	129	73%	0.728	65%	0.651	S	S	*	*			trans	-74.7	98.2	161.9	-78.5	-172.5	-167.5	-167.5	3.5	107.2	N113 I373	N113-R371 PolarHBondContact O-NH2 2.91Å; R371-I373 PolarHBondContact O-N 2.62Å
372	Q	26	Very low	30.7	Very low	58 Å²	58	123 Å²	123	27%	0.271	63%	0.634	S	S	.	*			trans	-85.1	103.1	159	-79.8	176.9	-24.3	0	0	106.8	R370 F374	R370-Q372 HydrophobicContact CG-CG 4.1Å; R370-Q372 PolarHBondContact O-N 2.83Å; R370-Q372 VanDerWaalsContact O-N 3.17Å; Q372-F374 HydrophobicContact CB-CD2 4.37Å; Q372-F374 HydrophobicContact CB-CE2 4.21Å; Q372-F374 PolarHBondContact O-N 3.15Å
373	I	26.3	Very low	32.1	Very low	68 Å²	68	123.2 Å²	123.2	35%	0.349	62%	0.623	S	S	.	*			trans	-78.6	103.5	162.3	-62.6	155.8	0	0	0	104.2	S299 R371 D375	S299-I373 VanDerWaalsContact OG-CD1 3.25Å; S299-I373 WeakPolarHBondContact OG-CD1 3.45Å; R371-I373 PolarHBondContact O-N 2.62Å; I373-D375 WeakPolarHBondContact CG2-OD1 3.06Å; I373-D375 PolarHBondContact O-N 2.84Å; I373-D375 VanDerWaalsContact O-N 3.07Å
374	F	25.2	Very low	33.7	Very low	124 Å²	124	116.3 Å²	116.3	54%	0.544	59%	0.591	S	S	.	*			trans	-73.6	86.5	164.2	-79.1	-83.7	0	0	0	107	H303 Q372	H303-F374 AromaticContact CE1-CE1 3.84Å; Q372-F374 HydrophobicContact CB-CD2 4.37Å; Q372-F374 HydrophobicContact CB-CE2 4.21Å; Q372-F374 PolarHBondContact O-N 3.15Å
375	D	28.3	Very low	35.7	Very low	113 Å²	113	113.9 Å²	113.9	60%	0.604	57%	0.57	S	S	*	*			trans	-81.2	126	158.9	-78.3	-22.4	0	0	0	107.1	I373 I377	I373-D375 WeakPolarHBondContact CG2-OD1 3.06Å; I373-D375 PolarHBondContact O-N 2.84Å; I373-D375 VanDerWaalsContact O-N 3.07Å; D375-I377 PolarHBondContact O-N 3.48Å
376	P	29.4	Very low	37.7	Very low	114 Å²	114	114.6 Å²	114.6	74%	0.74	56%	0.563	S	S	*	*			trans	-57.2	137.5	173.2	22.8	-30.2	0	0	0	109	S378	P376-S378 VanDerWaalsContact C-N 3.3Å; P376-S378 PolarHBondContact O-N 3.01Å
377	I	31.4	Very low	39.7	Very low	146 Å²	146	110.6 Å²	110.6	75%	0.749	54%	0.535	S	S	*	.			trans	-56.7	89.1	-173.4	-56.8	163.1	0	0	0	109.5	D375	D375-I377 PolarHBondContact O-N 3.48Å
378	S	38.9	Very low	41.9	Very low	59 Å²	59	101.2 Å²	101.2	41%	0.413	50%	0.498	S	S	.	.			trans	-63.3	134.1	167	158.2	0	0	0	0	107.9	P376 D380 T381	P376-S378 VanDerWaalsContact C-N 3.3Å; P376-S378 PolarHBondContact O-N 3.01Å; S378-D380 PolarHBondContact O-N 3.36Å; S378-D380 WeakPolarHBondContact OG-CB 3Å; S378-D380 PolarHBondContact OG-N 3.37Å; S378-T381 WeakPolarHBondContact O-CG2 3.35Å; S378-T381 PolarHBondContact O-N 3.24Å; S378-T381 PolarHBondContact O-OG1 3.44Å; S378-T381 VanDerWaalsContact O-OG1 3.07Å
379	H	36.4	Very low	44.3	Very low	156 Å²	156	100.5 Å²	100.5	72%	0.722	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-11.6	174.4	-71.1	-26.7	0	0	0	114.2	T381	H379-T381 PolarHBondContact O-N 3.41Å
380	D	44.5	Very low	46.6	Very low	82 Å²	82	93 Å²	93	44%	0.439	45%	0.451	S	S	.	.	H	α-helix	trans	-59.3	-29.2	167.4	-80.9	-6.6	0	0	0	113.7	R300 S378 A382 W383 I384	R300-D380 IonicContact CZ-OD2 2.77Å; R300-D380 IonicContact NH1-OD2 2.9Å; R300-D380 PolarHBondContact NH1-OD2 2.84Å; R300-D380 IonicContact NH2-OD2 3.26Å; R300-D380 PolarHBondContact NH2-OD2 2.66Å; R300-D380 VanDerWaalsContact NH2-OD2 3.15Å; S378-D380 PolarHBondContact O-N 3.36Å; S378-D380 WeakPolarHBondContact OG-CB 3Å; S378-D380 PolarHBondContact OG-N 3.37Å; D380-A382 PolarHBondContact O-N 3.32Å; D380-W383 PolarHBondContact O-N 3.49Å; D380-I384 WeakPolarHBondContact O-CG1 2.93Å; D380-I384 PolarHBondContact O-N 3.29Å; D380-I384 VanDerWaalsContact O-N 3.14Å
381	T	49.7	Very low	48.6	Very low	58 Å²	58	89.6 Å²	89.6	36%	0.356	44%	0.438	S	S	.	.	H	α-helix	trans	-66.6	-37.4	-175.1	58.4	0	0	0	0	111.9	S378 H379 W383 I384 E385	S378-T381 WeakPolarHBondContact O-CG2 3.35Å; S378-T381 PolarHBondContact O-N 3.24Å; S378-T381 PolarHBondContact O-OG1 3.44Å; S378-T381 VanDerWaalsContact O-OG1 3.07Å; H379-T381 PolarHBondContact O-N 3.41Å; T381-W383 PolarHBondContact O-N 3.14Å; T381-I384 PolarHBondContact O-N 3.45Å; T381-E385 WeakPolarHBondContact O-CB 3.33Å; T381-E385 PolarHBondContact O-N 3.05Å
382	A	53.9	Low	51.1	Low	60 Å²	60	80.6 Å²	80.6	50%	0.496	40%	0.404	S	S	.	.	H	α-helix	trans	-64.8	-39.9	178.9	0	0	0	0	0	112	D380 E385 H386	D380-A382 PolarHBondContact O-N 3.32Å; A382-E385 PolarHBondContact O-N 3.24Å; A382-H386 WeakPolarHBondContact O-CB 3.34Å; A382-H386 PolarHBondContact O-N 2.93Å
383	W	57.7	Low	53.6	Low	164 Å²	164	82.4 Å²	82.4	62%	0.621	41%	0.412	S	S	*	.	H	α-helix	trans	-64.5	-45.8	174.5	178.6	86.8	0	0	0	111.5	D380 T381 E385 H386 H387	D380-W383 PolarHBondContact O-N 3.49Å; T381-W383 PolarHBondContact O-N 3.14Å; W383-E385 VanDerWaalsContact C-N 3.34Å; W383-E385 PolarHBondContact O-N 3.5Å; W383-H386 PolarHBondContact O-N 3.34Å; W383-H387 AromaticContact CD1-CD2 3.79Å; W383-H387 AromaticContact CD1-NE2 3.87Å; W383-H387 AromaticContact CD2-CD2 3.54Å; W383-H387 AromaticContact CE2-CD2 3.06Å; W383-H387 AromaticContact CE2-NE2 3.16Å; W383-H387 AromaticContact CG-CD2 3.98Å; W383-H387 AromaticContact CH2-CD2 3.92Å; W383-H387 AromaticContact CZ2-CD2 3.28Å; W383-H387 WeakPolarHBondContact CZ2-CD2 3.3Å; W383-H387 AromaticContact CZ2-NE2 3.25Å; W383-H387 VanDerWaalsContact CZ2-NE2 3.25Å; W383-H387 WeakPolarHBondContact CZ2-NE2 3.24Å; W383-H387 AromaticContact NE1-CD2 3.24Å; W383-H387 PolarHBondContact NE1-CD2 3.11Å; W383-H387 AromaticContact NE1-NE2 3.01Å; W383-H387 PolarHBondContact NE1-NE2 3.24Å; W383-H387 PolarHBondContact O-CD2 3.41Å; W383-H387 PolarHBondContact O-N 3.37Å
384	I	58.3	Low	55.7	Low	33 Å²	33	86 Å²	86	17%	0.169	42%	0.421	C	S	.	.	H	α-helix	trans	-59	-48.2	176.3	-68.1	172.1	0	0	0	110.1	R300 D380 T381 H386 H387 I388	R300-I384 VanDerWaalsContact NH1-CD1 3.34Å; D380-I384 WeakPolarHBondContact O-CG1 2.93Å; D380-I384 PolarHBondContact O-N 3.29Å; D380-I384 VanDerWaalsContact O-N 3.14Å; T381-I384 PolarHBondContact O-N 3.45Å; I384-H386 PolarHBondContact O-N 3.39Å; I384-H387 PolarHBondContact O-N 3.41Å; I384-I388 HydrophobicContact CG2-CD1 3.59Å; I384-I388 HydrophobicContact CG2-CG1 4.32Å; I384-I388 VanDerWaalsContact O-CG1 3.23Å; I384-I388 WeakPolarHBondContact O-CG1 3.12Å; I384-I388 PolarHBondContact O-N 3.38Å
385	E	65.6	Low	58.1	Low	71 Å²	71	80.6 Å²	80.6	33%	0.332	40%	0.398	S	S	.	.	H	α-helix	trans	-59.9	-44.8	179.1	-167	-170.1	152.4	0	0	111.4	T381 A382 W383 H387 I388 R389	T381-E385 WeakPolarHBondContact O-CB 3.33Å; T381-E385 PolarHBondContact O-N 3.05Å; A382-E385 PolarHBondContact O-N 3.24Å; W383-E385 VanDerWaalsContact C-N 3.34Å; W383-E385 PolarHBondContact O-N 3.5Å; E385-H387 PolarHBondContact O-N 3.45Å; E385-I388 PolarHBondContact O-N 2.9Å; E385-R389 WeakPolarHBondContact O-CB 3.35Å; E385-R389 VanDerWaalsContact O-CG 3.24Å; E385-R389 WeakPolarHBondContact O-CG 3.42Å; E385-R389 PolarHBondContact O-N 3.1Å; E385-R389 IonicContact OE1-CZ 3.98Å; E385-R389 IonicContact OE1-NE 3.18Å; E385-R389 PolarHBondContact OE1-NE 3.02Å; E385-R389 IonicContact OE1-NH2 3.35Å; E385-R389 PolarHBondContact OE1-NH2 3.4Å
386	H	68.5	Low	60.4	Low	104 Å²	104	80 Å²	80	48%	0.481	39%	0.39	S	S	.	.	H	α-helix	trans	-60.5	-45.6	176.9	-172.2	81.8	0	0	0	112.3	A382 W383 I384 I388 R389 Q390	A382-H386 WeakPolarHBondContact O-CB 3.34Å; A382-H386 PolarHBondContact O-N 2.93Å; W383-H386 PolarHBondContact O-N 3.34Å; I384-H386 PolarHBondContact O-N 3.39Å; H386-I388 PolarHBondContact O-N 3.06Å; H386-R389 WeakPolarHBondContact O-CB 3.42Å; H386-R389 PolarHBondContact O-N 3.2Å; H386-Q390 PolarHBondContact CD2-NE2 3.03Å; H386-Q390 VanDerWaalsContact CD2-NE2 3.26Å; H386-Q390 PolarHBondContact NE2-NE2 3.33Å; H386-Q390 WeakPolarHBondContact O-CG 3.34Å; H386-Q390 PolarHBondContact O-N 3.48Å
387	H	67.2	Low	62.6	Low	60 Å²	60	81.7 Å²	81.7	28%	0.278	39%	0.388	S	S	.	.	H	α-helix	trans	-65.9	-36.5	177.1	-87.5	-75.1	0	0	0	113.1	W383 I384 E385 R391	W383-H387 AromaticContact CD1-CD2 3.79Å; W383-H387 AromaticContact CD1-NE2 3.87Å; W383-H387 AromaticContact CD2-CD2 3.54Å; W383-H387 AromaticContact CE2-CD2 3.06Å; W383-H387 AromaticContact CE2-NE2 3.16Å; W383-H387 AromaticContact CG-CD2 3.98Å; W383-H387 AromaticContact CH2-CD2 3.92Å; W383-H387 AromaticContact CZ2-CD2 3.28Å; W383-H387 WeakPolarHBondContact CZ2-CD2 3.3Å; W383-H387 AromaticContact CZ2-NE2 3.25Å; W383-H387 VanDerWaalsContact CZ2-NE2 3.25Å; W383-H387 WeakPolarHBondContact CZ2-NE2 3.24Å; W383-H387 AromaticContact NE1-CD2 3.24Å; W383-H387 PolarHBondContact NE1-CD2 3.11Å; W383-H387 AromaticContact NE1-NE2 3.01Å; W383-H387 PolarHBondContact NE1-NE2 3.24Å; W383-H387 PolarHBondContact O-CD2 3.41Å; W383-H387 PolarHBondContact O-N 3.37Å; I384-H387 PolarHBondContact O-N 3.41Å; E385-H387 PolarHBondContact O-N 3.45Å; H387-R391 PolarHBondContact O-N 2.94Å; H387-R391 VanDerWaalsContact O-N 3.16Å
388	I	70.9	Confident	64.4	Low	9 Å²	9	79.6 Å²	79.6	5%	0.046	37%	0.37	C	S	.	.	H	α-helix	trans	-64.9	-44	173.9	-67.2	168.2	0	0	0	109.8	T294 L302 I307 I384 E385 H386 Q390 R391 I392 L427	T294-I388 HydrophobicContact CG2-CD1 4.47Å; L302-I388 HydrophobicContact CD1-CD1 3.89Å; I307-I388 HydrophobicContact CD1-CB 4.3Å; I307-I388 HydrophobicContact CD1-CG2 3.36Å; I384-I388 HydrophobicContact CG2-CD1 3.59Å; I384-I388 HydrophobicContact CG2-CG1 4.32Å; I384-I388 VanDerWaalsContact O-CG1 3.23Å; I384-I388 WeakPolarHBondContact O-CG1 3.12Å; I384-I388 PolarHBondContact O-N 3.38Å; E385-I388 PolarHBondContact O-N 2.9Å; H386-I388 PolarHBondContact O-N 3.06Å; I388-Q390 PolarHBondContact O-N 3.32Å; I388-R391 PolarHBondContact O-N 3.41Å; I388-R391 VanDerWaalsContact O-N 3.14Å; I388-I392 HydrophobicContact CG2-CD1 3.67Å; I388-I392 HydrophobicContact CG2-CG1 4.18Å; I388-I392 WeakPolarHBondContact O-CB 3.45Å; I388-I392 VanDerWaalsContact O-CG1 3.3Å; I388-I392 WeakPolarHBondContact O-CG1 3.36Å; I388-I392 PolarHBondContact O-N 2.92Å; I388-L427 HydrophobicContact CD1-CD2 4.38Å; I388-L427 HydrophobicContact CG2-CD1 4.23Å; I388-L427 HydrophobicContact CG2-CD2 4.44Å
389	R	73.9	Confident	66.1	Low	48 Å²	48	77.2 Å²	77.2	18%	0.181	35%	0.353	C	S	.	.	H	α-helix	trans	-58.8	-45.5	176.7	-72.6	166.5	176.4	-73.3	-1.3	112.5	I307 E308 E385 H386 R391 I392 Q393	I307-R389 HydrophobicContact CG2-CG 4.01Å; E308-R389 PolarHBondContact O-NH1 3.05Å; E385-R389 WeakPolarHBondContact O-CB 3.35Å; E385-R389 VanDerWaalsContact O-CG 3.24Å; E385-R389 WeakPolarHBondContact O-CG 3.42Å; E385-R389 PolarHBondContact O-N 3.1Å; E385-R389 IonicContact OE1-CZ 3.98Å; E385-R389 IonicContact OE1-NE 3.18Å; E385-R389 PolarHBondContact OE1-NE 3.02Å; E385-R389 IonicContact OE1-NH2 3.35Å; E385-R389 PolarHBondContact OE1-NH2 3.4Å; H386-R389 WeakPolarHBondContact O-CB 3.42Å; H386-R389 PolarHBondContact O-N 3.2Å; R389-R391 VanDerWaalsContact C-N 3.3Å; R389-R391 PolarHBondContact O-N 2.96Å; R389-I392 PolarHBondContact O-N 2.8Å; R389-Q393 WeakPolarHBondContact O-CG 3.25Å; R389-Q393 PolarHBondContact O-N 2.9Å
390	Q	72.2	Confident	68	Low	68 Å²	68	71.6 Å²	71.6	32%	0.318	33%	0.331	S	S	.	.	H	α-helix	trans	-60.5	-39.2	175.6	-70.2	-174.7	9.1	0	0	112.2	H386 I388 Q393 R394	H386-Q390 PolarHBondContact CD2-NE2 3.03Å; H386-Q390 VanDerWaalsContact CD2-NE2 3.26Å; H386-Q390 PolarHBondContact NE2-NE2 3.33Å; H386-Q390 WeakPolarHBondContact O-CG 3.34Å; H386-Q390 PolarHBondContact O-N 3.48Å; I388-Q390 PolarHBondContact O-N 3.32Å; Q390-Q393 PolarHBondContact O-N 3.33Å; Q390-R394 PolarHBondContact O-N 3.23Å; Q390-R394 VanDerWaalsContact O-N 3.15Å
391	R	70.6	Confident	69.6	Low	93 Å²	93	73 Å²	73	35%	0.351	35%	0.345	S	S	.	.	H	α-helix	trans	-68.8	-45.4	175.9	-76.5	-168.3	174.8	117	-0.2	112.3	H387 I388 R389 Q393 R394 Y395	H387-R391 PolarHBondContact O-N 2.94Å; H387-R391 VanDerWaalsContact O-N 3.16Å; I388-R391 PolarHBondContact O-N 3.41Å; I388-R391 VanDerWaalsContact O-N 3.14Å; R389-R391 VanDerWaalsContact C-N 3.3Å; R389-R391 PolarHBondContact O-N 2.96Å; R391-Q393 PolarHBondContact O-N 3.36Å; R391-R394 WeakPolarHBondContact O-CA 2.99Å; R391-R394 WeakPolarHBondContact O-CB 3.27Å; R391-R394 PolarHBondContact O-N 3.27Å; R391-Y395 HydrophobicContact CB-CE2 4.04Å; R391-Y395 WeakPolarHBondContact O-CD1 3.49Å; R391-Y395 WeakPolarHBondContact O-CD2 3.32Å; R391-Y395 PolarHBondContact O-N 3.45Å
392	I	77.7	Confident	70.9	Confident	5 Å²	5	77 Å²	77	3%	0.026	36%	0.357	C	S	.	.	H	α-helix	trans	-53	-41	173.3	-72.9	173	0	0	0	110.4	I307 I309 I388 R389 Y395 K396 W404 F425	I307-I392 HydrophobicContact CB-CD1 4.38Å; I307-I392 HydrophobicContact CD1-CD1 3.76Å; I307-I392 HydrophobicContact CG2-CD1 4.33Å; I309-I392 HydrophobicContact CD1-CG2 4.26Å; I309-I392 HydrophobicContact CG1-CG2 4.3Å; I388-I392 HydrophobicContact CG2-CD1 3.67Å; I388-I392 HydrophobicContact CG2-CG1 4.18Å; I388-I392 WeakPolarHBondContact O-CB 3.45Å; I388-I392 VanDerWaalsContact O-CG1 3.3Å; I388-I392 WeakPolarHBondContact O-CG1 3.36Å; I388-I392 PolarHBondContact O-N 2.92Å; R389-I392 PolarHBondContact O-N 2.8Å; I392-Y395 WeakPolarHBondContact O-CB 3.36Å; I392-Y395 PolarHBondContact O-N 3.35Å; I392-K396 WeakPolarHBondContact O-CB 3.3Å; I392-K396 PolarHBondContact O-N 2.79Å; I392-W404 HydrophobicContact CB-CH2 4.39Å; I392-W404 HydrophobicContact CG2-CH2 3.47Å; I392-W404 VanDerWaalsContact CG2-CH2 3.47Å; I392-W404 HydrophobicContact CG2-CZ2 3.67Å; I392-W404 WeakPolarHBondContact O-CH2 3.27Å; I392-F425 HydrophobicContact CD1-CB 4.48Å; I392-F425 HydrophobicContact CD1-CD1 3.48Å; I392-F425 VanDerWaalsContact CD1-CD1 3.48Å; I392-F425 HydrophobicContact CD1-CE1 3.73Å; I392-F425 HydrophobicContact CD1-CG 3.99Å; I392-F425 HydrophobicContact CD1-CZ 4.44Å; I392-F425 HydrophobicContact CG1-CD1 4.08Å; I392-F425 HydrophobicContact CG1-CE1 3.87Å; I392-F425 HydrophobicContact CG1-CZ 4.14Å; I392-F425 HydrophobicContact CG2-CD2 4.29Å; I392-F425 HydrophobicContact CG2-CG 4.41Å
393	Q	78.8	Confident	71.8	Confident	95 Å²	95	75.1 Å²	75.1	44%	0.444	34%	0.338	S	S	.	.	H	α-helix	trans	-63.9	-43.2	174.7	-73.5	173.6	-21	0	0	112.8	R389 Q390 R391 Y395 K396 Q397	R389-Q393 WeakPolarHBondContact O-CG 3.25Å; R389-Q393 PolarHBondContact O-N 2.9Å; Q390-Q393 PolarHBondContact O-N 3.33Å; R391-Q393 PolarHBondContact O-N 3.36Å; Q393-Y395 VanDerWaalsContact C-N 3.28Å; Q393-Y395 PolarHBondContact O-N 3.11Å; Q393-K396 WeakPolarHBondContact O-CB 3.39Å; Q393-K396 PolarHBondContact O-N 2.85Å; Q393-Q397 WeakPolarHBondContact O-CG 3.46Å; Q393-Q397 PolarHBondContact O-N 3.36Å
394	R	71.3	Confident	73	Confident	143 Å²	143	68.3 Å²	68.3	54%	0.54	31%	0.313	S	S	.	.	H	α-helix	trans	-61.5	-38.8	172.9	-67.8	-179.1	-173.8	163.8	4	111.6	Q390 R391 Q397 W398	Q390-R394 PolarHBondContact O-N 3.23Å; Q390-R394 VanDerWaalsContact O-N 3.15Å; R391-R394 WeakPolarHBondContact O-CA 2.99Å; R391-R394 WeakPolarHBondContact O-CB 3.27Å; R391-R394 PolarHBondContact O-N 3.27Å; R394-Q397 WeakPolarHBondContact O-CB 3Å; R394-Q397 PolarHBondContact O-N 3.3Å; R394-Q397 VanDerWaalsContact O-N 3.15Å; R394-W398 PolarHBondContact O-N 3.03Å
395	Y	75	Confident	74.1	Confident	11 Å²	11	73.7 Å²	73.7	4%	0.043	34%	0.335	C	S	.	.	H	α-helix	trans	-66.7	-40.2	178.7	-57.6	-17.3	0	0	0	111.9	L287 H291 R391 I392 Q393 Q397 W398 L399 F430	L287-Y395 HydrophobicContact CD1-CD1 2.92Å; L287-Y395 HydrophobicContact CD1-CD2 4.23Å; L287-Y395 HydrophobicContact CD1-CE1 3.3Å; L287-Y395 HydrophobicContact CD1-CG 3.4Å; L287-Y395 HydrophobicContact CG-CD1 4.21Å; L287-Y395 HydrophobicContact CG-CE1 4.41Å; L287-Y395 HydrophobicContact CG-CG 4.4Å; H291-Y395 AromaticContact CD2-CE2 3.35Å; H291-Y395 WeakPolarHBondContact CD2-CE2 3.12Å; H291-Y395 AromaticContact CD2-CZ 3.58Å; H291-Y395 PolarHBondContact CD2-OH 3.43Å; H291-Y395 AromaticContact NE2-CE2 3.84Å; R391-Y395 HydrophobicContact CB-CE2 4.04Å; R391-Y395 WeakPolarHBondContact O-CD1 3.49Å; R391-Y395 WeakPolarHBondContact O-CD2 3.32Å; R391-Y395 PolarHBondContact O-N 3.45Å; I392-Y395 WeakPolarHBondContact O-CB 3.36Å; I392-Y395 PolarHBondContact O-N 3.35Å; Q393-Y395 VanDerWaalsContact C-N 3.28Å; Q393-Y395 PolarHBondContact O-N 3.11Å; Y395-Q397 PolarHBondContact O-N 3.04Å; Y395-W398 PolarHBondContact O-N 3.43Å; Y395-W398 VanDerWaalsContact O-N 3.09Å; Y395-L399 WeakPolarHBondContact O-CG 3.46Å; Y395-L399 PolarHBondContact O-N 2.99Å; Y395-F430 HydrophobicContact CD2-CE1 4.44Å; Y395-F430 HydrophobicContact CD2-CE2 4.16Å; Y395-F430 AromaticContact CD2-CZ 3.83Å; Y395-F430 HydrophobicContact CD2-CZ 3.83Å; Y395-F430 HydrophobicContact CE2-CE1 4.04Å; Y395-F430 AromaticContact CE2-CZ 3.78Å; Y395-F430 HydrophobicContact CE2-CZ 3.78Å
396	K	76.4	Confident	74.8	Confident	102 Å²	102	71.2 Å²	71.2	44%	0.443	32%	0.323	S	S	.	.	H	α-helix	trans	-57.8	-34.3	171.8	-177.8	-173.9	173.3	-169	0	112	I392 Q393 W404	I392-K396 WeakPolarHBondContact O-CB 3.3Å; I392-K396 PolarHBondContact O-N 2.79Å; Q393-K396 WeakPolarHBondContact O-CB 3.39Å; Q393-K396 PolarHBondContact O-N 2.85Å; K396-W404 HydrophobicContact CB-CD2 4.06Å; K396-W404 HydrophobicContact CB-CE3 4.13Å; K396-W404 HydrophobicContact CB-CH2 4.06Å; K396-W404 HydrophobicContact CB-CZ2 3.98Å; K396-W404 HydrophobicContact CB-CZ3 4.15Å; K396-W404 HydrophobicContact CG-CD2 4.12Å; K396-W404 HydrophobicContact CG-CG 4.33Å; K396-W404 HydrophobicContact CG-CZ2 4.44Å
397	Q	75.7	Confident	75.4	Confident	148 Å²	148	66.2 Å²	66.2	69%	0.692	30%	0.3	S	S	*	.	H	α-helix	trans	-70.4	-32.5	176.2	-65.5	169.7	-6.5	0	0	112.5	Q393 R394 Y395	Q393-Q397 WeakPolarHBondContact O-CG 3.46Å; Q393-Q397 PolarHBondContact O-N 3.36Å; R394-Q397 WeakPolarHBondContact O-CB 3Å; R394-Q397 PolarHBondContact O-N 3.3Å; R394-Q397 VanDerWaalsContact O-N 3.15Å; Y395-Q397 PolarHBondContact O-N 3.04Å
398	W	70.2	Confident	76	Confident	103 Å²	103	65 Å²	65	39%	0.39	30%	0.295	S	S	.	.	H	α-helix	trans	-81	-26.9	-179.2	-65.6	7.7	0	0	0	112.5	T283 L287 R394 Y395	T283-W398 HydrophobicContact CG2-CB 4.17Å; T283-W398 HydrophobicContact CG2-CE3 4.36Å; L287-W398 HydrophobicContact CB-CE3 3.97Å; L287-W398 HydrophobicContact CB-CZ3 4.16Å; L287-W398 HydrophobicContact CD1-CD2 4.36Å; L287-W398 HydrophobicContact CD1-CE3 3.57Å; L287-W398 HydrophobicContact CD1-CZ3 3.97Å; L287-W398 HydrophobicContact CG-CE3 4.38Å; R394-W398 PolarHBondContact O-N 3.03Å; Y395-W398 PolarHBondContact O-N 3.43Å; Y395-W398 VanDerWaalsContact O-N 3.09Å
399	L	73.7	Confident	76.1	Confident	9 Å²	9	65.5 Å²	65.5	5%	0.047	30%	0.299	C	S	.	.	S	Bend	trans	-96	133.7	-178.3	-64.1	172.1	0	0	0	111.6	I284 L287 Y395 Q403 W404 F407	I284-L399 HydrophobicContact CD1-CD2 3.4Å; I284-L399 HydrophobicContact CG1-CD2 3.68Å; L287-L399 HydrophobicContact CD2-CD1 3.88Å; L287-L399 HydrophobicContact CD2-CD2 4.09Å; L287-L399 HydrophobicContact CD2-CG 4.04Å; Y395-L399 WeakPolarHBondContact O-CG 3.46Å; Y395-L399 PolarHBondContact O-N 2.99Å; L399-Q403 VanDerWaalsContact CA-OE1 3.28Å; L399-Q403 HydrophobicContact CB-CB 4.06Å; L399-Q403 HydrophobicContact CD2-CB 4Å; L399-W404 HydrophobicContact CB-CB 4.46Å; L399-W404 HydrophobicContact CB-CE3 4.4Å; L399-W404 HydrophobicContact CD1-CE3 3.71Å; L399-W404 HydrophobicContact CD1-CZ3 4.08Å; L399-F407 HydrophobicContact CD1-CD2 3.89Å; L399-F407 HydrophobicContact CD1-CE2 3.74Å
400	S	75.5	Confident	75.7	Confident	37 Å²	37	67.6 Å²	67.6	26%	0.259	31%	0.314	S	S	.	.			trans	-58.4	154	165.8	73	0	0	0	0	110.7	K402 Q403 W404	S400-K402 PolarHBondContact O-N 3.49Å; S400-Q403 WeakPolarHBondContact O-CA 2.99Å; S400-Q403 WeakPolarHBondContact O-CB 3.45Å; S400-Q403 PolarHBondContact O-N 3.11Å; S400-Q403 VanDerWaalsContact OG-CG 3.29Å; S400-Q403 WeakPolarHBondContact OG-CG 3.35Å; S400-Q403 PolarHBondContact OG-N 3.21Å; S400-Q403 PolarHBondContact OG-OE1 3.43Å; S400-W404 PolarHBondContact O-N 3.16Å
401	P	78.3	Confident	74.8	Confident	113 Å²	113	67.4 Å²	67.4	73%	0.734	32%	0.315	S	S	*	.	H	α-helix	trans	-52.9	-34.6	178.1	-29	35.2	0	0	0	114.1	K405	P401-K405 PolarHBondContact O-N 3.24Å; P401-K405 VanDerWaalsContact O-N 3.1Å
402	K	77.2	Confident	73.7	Confident	140 Å²	140	68.1 Å²	68.1	61%	0.609	33%	0.334	S	S	*	.	H	α-helix	trans	-70.6	-31.4	177.3	-68.4	-175.9	-179.2	177.5	0	113.5	S400 Q406	S400-K402 PolarHBondContact O-N 3.49Å; K402-Q406 PolarHBondContact O-NE2 3.06Å
403	Q	73.3	Confident	72.1	Confident	22 Å²	22	73.4 Å²	73.4	10%	0.103	37%	0.367	C	S	.	.	H	α-helix	trans	-78.1	-44.9	174.5	-68.2	154.6	-8.6	0	0	109.7	L399 S400 K405 Q406 M540	L399-Q403 VanDerWaalsContact CA-OE1 3.28Å; L399-Q403 HydrophobicContact CB-CB 4.06Å; L399-Q403 HydrophobicContact CD2-CB 4Å; S400-Q403 WeakPolarHBondContact O-CA 2.99Å; S400-Q403 WeakPolarHBondContact O-CB 3.45Å; S400-Q403 PolarHBondContact O-N 3.11Å; S400-Q403 VanDerWaalsContact OG-CG 3.29Å; S400-Q403 WeakPolarHBondContact OG-CG 3.35Å; S400-Q403 PolarHBondContact OG-N 3.21Å; S400-Q403 PolarHBondContact OG-OE1 3.43Å; Q403-K405 VanDerWaalsContact C-N 3.26Å; Q403-K405 PolarHBondContact O-N 3.05Å; Q403-Q406 VanDerWaalsContact O-CB 3.31Å; Q403-Q406 WeakPolarHBondContact O-CB 3.43Å; Q403-Q406 WeakPolarHBondContact O-CG 3.34Å; Q403-Q406 PolarHBondContact O-N 3.29Å; Q403-M540 HydrophobicContact CG-CG 3.9Å; Q403-M540 HydrophobicContact CG-SD 3.85Å; Q403-M540 PolarHBondContact NE2-SD 2.97Å
404	W	81.8	Confident	70.4	Confident	21 Å²	21	72.4 Å²	72.4	8%	0.08	37%	0.367	C	S	.	.	H	α-helix	trans	-54.4	-43.4	178.6	-174.1	-114.8	0	0	0	112.3	I309 I392 K396 L399 S400 Q406 F407 F425	I309-W404 HydrophobicContact CD1-CZ2 3.59Å; I392-W404 HydrophobicContact CB-CH2 4.39Å; I392-W404 HydrophobicContact CG2-CH2 3.47Å; I392-W404 VanDerWaalsContact CG2-CH2 3.47Å; I392-W404 HydrophobicContact CG2-CZ2 3.67Å; I392-W404 WeakPolarHBondContact O-CH2 3.27Å; K396-W404 HydrophobicContact CB-CD2 4.06Å; K396-W404 HydrophobicContact CB-CE3 4.13Å; K396-W404 HydrophobicContact CB-CH2 4.06Å; K396-W404 HydrophobicContact CB-CZ2 3.98Å; K396-W404 HydrophobicContact CB-CZ3 4.15Å; K396-W404 HydrophobicContact CG-CD2 4.12Å; K396-W404 HydrophobicContact CG-CG 4.33Å; K396-W404 HydrophobicContact CG-CZ2 4.44Å; L399-W404 HydrophobicContact CB-CB 4.46Å; L399-W404 HydrophobicContact CB-CE3 4.4Å; L399-W404 HydrophobicContact CD1-CE3 3.71Å; L399-W404 HydrophobicContact CD1-CZ3 4.08Å; S400-W404 PolarHBondContact O-N 3.16Å; W404-Q406 PolarHBondContact O-N 2.75Å; W404-F407 PolarHBondContact O-N 2.91Å; W404-F407 VanDerWaalsContact O-N 3.09Å; W404-F425 AromaticContact CH2-CD2 3.7Å; W404-F425 HydrophobicContact CH2-CD2 3.7Å; W404-F425 AromaticContact CH2-CE2 3.46Å; W404-F425 HydrophobicContact CH2-CE2 3.46Å; W404-F425 VanDerWaalsContact CH2-CE2 3.46Å; W404-F425 HydrophobicContact CH2-CZ 4.44Å; W404-F425 AromaticContact CZ2-CD2 3.87Å; W404-F425 HydrophobicContact CZ2-CD2 3.87Å; W404-F425 HydrophobicContact CZ2-CE2 4.12Å; W404-F425 HydrophobicContact CZ3-CD2 4.38Å; W404-F425 AromaticContact CZ3-CE2 3.8Å; W404-F425 HydrophobicContact CZ3-CE2 3.8Å
405	K	81.9	Confident	69	Low	145 Å²	145	74.3 Å²	74.3	63%	0.63	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-20.8	178.1	-172	169.9	-178	174.3	0	114.2	P401 Q403 L408	P401-K405 PolarHBondContact O-N 3.24Å; P401-K405 VanDerWaalsContact O-N 3.1Å; Q403-K405 VanDerWaalsContact C-N 3.26Å; Q403-K405 PolarHBondContact O-N 3.05Å; K405-L408 PolarHBondContact O-N 3.1Å
406	Q	80.9	Confident	67.7	Low	19 Å²	19	76.8 Å²	76.8	9%	0.089	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-18.7	-174.9	-55	172.5	17.1	0	0	114	K402 Q403 W404 L408 R535 T539	K402-Q406 PolarHBondContact O-NE2 3.06Å; Q403-Q406 VanDerWaalsContact O-CB 3.31Å; Q403-Q406 WeakPolarHBondContact O-CB 3.43Å; Q403-Q406 WeakPolarHBondContact O-CG 3.34Å; Q403-Q406 PolarHBondContact O-N 3.29Å; W404-Q406 PolarHBondContact O-N 2.75Å; Q406-L408 VanDerWaalsContact C-N 3.3Å; Q406-R535 VanDerWaalsContact CD-O 3.24Å; Q406-R535 HydrophobicContact CG-CB 4.17Å; Q406-R535 VanDerWaalsContact NE2-C 3.26Å; Q406-R535 PolarHBondContact NE2-O 3.22Å; Q406-R535 PolarHBondContact OE1-O 3.11Å; Q406-R535 VanDerWaalsContact OE1-O 3.05Å; Q406-T539 PolarHBondContact NE2-OG1 3.4Å
407	F	80.1	Confident	66.3	Low	0 Å²	0	75.7 Å²	75.7	0%	0	42%	0.42	C	S	.	.	S	Bend	trans	-90.5	-1	169.1	-65.9	-73.3	0	0	0	111.8	L288 L399 W404 F425 N426 F430 F532 L536	L288-F407 HydrophobicContact CD2-CZ 4.44Å; L399-F407 HydrophobicContact CD1-CD2 3.89Å; L399-F407 HydrophobicContact CD1-CE2 3.74Å; W404-F407 PolarHBondContact O-N 2.91Å; W404-F407 VanDerWaalsContact O-N 3.09Å; F407-F425 HydrophobicContact CB-CD2 4.02Å; F407-F425 HydrophobicContact CB-CE2 3.53Å; F407-F425 HydrophobicContact CB-CZ 4.28Å; F407-F425 HydrophobicContact CG-CE2 4.28Å; F407-N426 PolarHBondContact O-N 2.8Å; F407-F430 HydrophobicContact CD1-CB 3.89Å; F407-F430 AromaticContact CD1-CD2 3.46Å; F407-F430 HydrophobicContact CD1-CD2 3.46Å; F407-F430 VanDerWaalsContact CD1-CD2 3.46Å; F407-F430 HydrophobicContact CD1-CE2 4.44Å; F407-F430 HydrophobicContact CD1-CG 4.13Å; F407-F430 HydrophobicContact CD2-CD2 4.33Å; F407-F430 HydrophobicContact CE1-CB 4.13Å; F407-F430 AromaticContact CE1-CD2 3.35Å; F407-F430 HydrophobicContact CE1-CD2 3.35Å; F407-F430 HydrophobicContact CE1-CE2 4.07Å; F407-F430 HydrophobicContact CE1-CG 4.07Å; F407-F430 HydrophobicContact CE2-CD2 4.25Å; F407-F430 HydrophobicContact CE2-CE2 4.36Å; F407-F430 AromaticContact CG-CD2 3.95Å; F407-F430 HydrophobicContact CG-CD2 3.95Å; F407-F430 AromaticContact CZ-CD2 3.77Å; F407-F430 HydrophobicContact CZ-CD2 3.77Å; F407-F430 HydrophobicContact CZ-CE2 4.02Å; F407-F532 HydrophobicContact CD1-CE2 4.41Å; F407-F532 HydrophobicContact CD1-CZ 4.23Å; F407-F532 HydrophobicContact CE1-CE2 4.31Å; F407-F532 AromaticContact CE1-CZ 3.71Å; F407-F532 HydrophobicContact CE1-CZ 3.71Å; F407-F532 HydrophobicContact CZ-CZ 4.3Å; F407-L536 HydrophobicContact CE2-CD1 3.66Å; F407-L536 HydrophobicContact CZ-CD1 3.68Å; F407-L536 HydrophobicContact CZ-CD2 4.32Å
408	L	80.3	Confident	65	Low	33 Å²	33	78.7 Å²	78.7	17%	0.173	43%	0.425	C	S	.	.	B	Isolated β-bridge	trans	-85.6	152.6	171.6	-55.8	-179.5	0	0	0	110	I309 K405 Q406 A423 K424	I309-L408 HydrophobicContact CD1-CD2 3.77Å; K405-L408 PolarHBondContact O-N 3.1Å; Q406-L408 VanDerWaalsContact C-N 3.3Å; L408-A423 HydrophobicContact CD1-CB 4.06Å; L408-A423 HydrophobicContact CD2-CB 4.15Å; L408-K424 CarbonylContact C-O 3.55Å; L408-K424 WeakPolarHBondContact CA-O 3.49Å
409	T	72.8	Confident	64.4	Low	21 Å²	21	82 Å²	82	13%	0.129	45%	0.449	C	S	.	.			trans	-67.9	141	171	57.4	0	0	0	0	110.3	I306 D411 K424 N426	I306-T409 HydrophobicContact CD1-CG2 4.3Å; I306-T409 HydrophobicContact CG1-CG2 4.38Å; T409-D411 PolarHBondContact O-N 3.21Å; T409-K424 HydrophobicContact CG2-CB 4.3Å; T409-K424 PolarHBondContact N-O 3Å; T409-K424 WeakPolarHBondContact OG1-CB 3.46Å; T409-N426 HydrophobicContact CG2-CB 4.04Å
410	D	65.3	Low	63.6	Low	91 Å²	91	88.4 Å²	88.4	49%	0.487	48%	0.483	S	S	.	.			trans	-80.1	101	170.4	-76.5	-36	0	0	0	108	S412 R535	D410-S412 PolarHBondContact O-N 2.96Å; D410-R535 IonicContact OD2-NH1 2.75Å; D410-R535 PolarHBondContact OD2-NH1 3.02Å
411	D	54.4	Low	62.7	Low	64 Å²	64	89 Å²	89	34%	0.342	49%	0.491	S	S	.	.			trans	-72.8	26.4	176.3	-85.4	5.7	0	0	0	113.5	T409 T413 T414	T409-D411 PolarHBondContact O-N 3.21Å; D411-T413 PolarHBondContact O-N 2.84Å; D411-T414 PolarHBondContact O-N 3.29Å; D411-T414 PolarHBondContact O-OG1 3.15Å
412	S	48	Very low	62	Low	108 Å²	108	85.8 Å²	85.8	76%	0.755	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-9.2	-171.1	59.3	0	0	0	0	115.4	D410	D410-S412 PolarHBondContact O-N 2.96Å
413	T	43.8	Very low	61.6	Low	116 Å²	116	81.1 Å²	81.1	71%	0.712	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-15.1	-176.5	51.5	0	0	0	0	114.5	D411 I415	D411-T413 PolarHBondContact O-N 2.84Å; T413-I415 PolarHBondContact O-N 3.47Å
414	T	42.6	Very low	61.7	Low	74 Å²	74	83.6 Å²	83.6	45%	0.454	47%	0.467	S	S	.	.			trans	-84.8	98.9	171.5	23.5	0	0	0	0	110	D411 G416 S417	D411-T414 PolarHBondContact O-N 3.29Å; D411-T414 PolarHBondContact O-OG1 3.15Å; T414-G416 VanDerWaalsContact C-N 3.33Å; T414-G416 PolarHBondContact O-N 3.45Å; T414-S417 PolarHBondContact O-N 3.39Å
415	I	41.3	Very low	61.6	Low	184 Å²	184	82.6 Å²	82.6	94%	0.944	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	99.1	162.3	-62.1	166.6	0	0	0	106.4	T413	T413-I415 PolarHBondContact O-N 3.47Å
416	G	47.6	Very low	61.7	Low	63 Å²	63	75.9 Å²	75.9	65%	0.649	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	114	44.9	-175.2	0	0	0	0	0	115	T414 R418	T414-G416 VanDerWaalsContact C-N 3.33Å; T414-G416 PolarHBondContact O-N 3.45Å; G416-R418 PolarHBondContact O-N 2.94Å
417	S	47.1	Very low	61.7	Low	79 Å²	79	75.1 Å²	75.1	55%	0.552	43%	0.431	S	S	*	.			trans	-45.9	106	163.4	-59.7	0	0	0	0	109.4	T414 I419	T414-S417 PolarHBondContact O-N 3.39Å; S417-I419 PolarHBondContact O-N 3.45Å; S417-I419 VanDerWaalsContact O-N 3.12Å
418	R	49.5	Very low	61.8	Low	211 Å²	211	75.4 Å²	75.4	80%	0.796	43%	0.434	S	S	*	.			trans	-55.4	122.7	167.6	-68.7	-178.6	-174.1	-179.7	1.6	105.8	G416 N420 A421	G416-R418 PolarHBondContact O-N 2.94Å; R418-N420 PolarHBondContact O-N 2.98Å; R418-A421 HydrophobicContact CB-CB 4.34Å; R418-A421 PolarHBondContact O-N 3.26Å
419	I	57.1	Low	62	Low	171 Å²	171	74 Å²	74	88%	0.877	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-19.8	-179.2	-64.6	170.2	0	0	0	111.6	S417	S417-I419 PolarHBondContact O-N 3.45Å; S417-I419 VanDerWaalsContact O-N 3.12Å
420	N	55.8	Low	62.6	Low	144 Å²	144	73 Å²	73	77%	0.77	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	17.9	-176.4	-58.7	-19	0	0	0	114.9	R418	R418-N420 PolarHBondContact O-N 2.98Å
421	A	58.1	Low	63.4	Low	51 Å²	51	71.1 Å²	71.1	42%	0.421	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-63.8	134.9	174.1	0	0	0	0	0	110.7	R418	R418-A421 HydrophobicContact CB-CB 4.34Å; R418-A421 PolarHBondContact O-N 3.26Å
422	P	62.3	Low	65	Low	45 Å²	45	68.3 Å²	68.3	29%	0.292	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-61.9	141.2	176.4	25.8	-32.9	0	0	0	110.3	E308 Y310 K424	E308-P422 HydrophobicContact CB-CB 4.47Å; E308-P422 HydrophobicContact CB-CG 4.35Å; E308-P422 HydrophobicContact CG-CG 4.48Å; Y310-P422 HydrophobicContact CD1-CB 4.28Å; Y310-P422 HydrophobicContact CE1-CB 4.48Å; Y310-P422 HydrophobicContact CE1-CG 4.47Å; P422-K424 PolarHBondContact O-N 3.1Å
423	A	70.7	Confident	67.1	Low	42 Å²	42	63.1 Å²	63.1	35%	0.347	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	123.1	178.5	0	0	0	0	0	109.9	I309 L408	I309-A423 VanDerWaalsContact CB-O 3.3Å; I309-A423 WeakPolarHBondContact CB-O 3.31Å; I309-A423 WeakPolarHBondContact CG1-O 3.19Å; I309-A423 PolarHBondContact N-O 3.33Å; L408-A423 HydrophobicContact CD1-CB 4.06Å; L408-A423 HydrophobicContact CD2-CB 4.15Å
424	K	74.7	Confident	69.1	Low	73 Å²	73	57.6 Å²	57.6	32%	0.317	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	120.4	179.9	-81.8	174.1	176.5	-174.3	0	110.8	I306 E308 L408 T409 P422	I306-K424 HydrophobicContact CG2-CB 3.51Å; I306-K424 HydrophobicContact CG2-CD 3.82Å; I306-K424 HydrophobicContact CG2-CG 3.57Å; E308-K424 HydrophobicContact CG-CG 4.34Å; L408-K424 CarbonylContact C-O 3.55Å; L408-K424 WeakPolarHBondContact CA-O 3.49Å; T409-K424 HydrophobicContact CG2-CB 4.3Å; T409-K424 PolarHBondContact N-O 3Å; T409-K424 WeakPolarHBondContact OG1-CB 3.46Å; P422-K424 PolarHBondContact O-N 3.1Å
425	F	80.4	Confident	71.2	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	126.4	176.8	-173.6	-102.3	0	0	0	110.7	I306 I307 I309 I392 W404 F407 L427 F430	I306-F425 WeakPolarHBondContact CA-O 3.05Å; I307-F425 HydrophobicContact CB-CB 4.42Å; I307-F425 PolarHBondContact N-O 3.37Å; I307-F425 VanDerWaalsContact N-O 3.08Å; I307-F425 PolarHBondContact O-N 3.02Å; I309-F425 HydrophobicContact CD1-CB 3.81Å; I309-F425 HydrophobicContact CD1-CD2 4.39Å; I309-F425 HydrophobicContact CG1-CB 4.13Å; I392-F425 HydrophobicContact CD1-CB 4.48Å; I392-F425 HydrophobicContact CD1-CD1 3.48Å; I392-F425 VanDerWaalsContact CD1-CD1 3.48Å; I392-F425 HydrophobicContact CD1-CE1 3.73Å; I392-F425 HydrophobicContact CD1-CG 3.99Å; I392-F425 HydrophobicContact CD1-CZ 4.44Å; I392-F425 HydrophobicContact CG1-CD1 4.08Å; I392-F425 HydrophobicContact CG1-CE1 3.87Å; I392-F425 HydrophobicContact CG1-CZ 4.14Å; I392-F425 HydrophobicContact CG2-CD2 4.29Å; I392-F425 HydrophobicContact CG2-CG 4.41Å; W404-F425 AromaticContact CH2-CD2 3.7Å; W404-F425 HydrophobicContact CH2-CD2 3.7Å; W404-F425 AromaticContact CH2-CE2 3.46Å; W404-F425 HydrophobicContact CH2-CE2 3.46Å; W404-F425 VanDerWaalsContact CH2-CE2 3.46Å; W404-F425 HydrophobicContact CH2-CZ 4.44Å; W404-F425 AromaticContact CZ2-CD2 3.87Å; W404-F425 HydrophobicContact CZ2-CD2 3.87Å; W404-F425 HydrophobicContact CZ2-CE2 4.12Å; W404-F425 HydrophobicContact CZ3-CD2 4.38Å; W404-F425 AromaticContact CZ3-CE2 3.8Å; W404-F425 HydrophobicContact CZ3-CE2 3.8Å; F407-F425 HydrophobicContact CB-CD2 4.02Å; F407-F425 HydrophobicContact CB-CE2 3.53Å; F407-F425 HydrophobicContact CB-CZ 4.28Å; F407-F425 HydrophobicContact CG-CE2 4.28Å; F425-L427 HydrophobicContact CD1-CB 4.12Å; F425-L427 HydrophobicContact CD1-CD1 4.47Å; F425-L427 HydrophobicContact CE1-CB 4.23Å; F425-L427 HydrophobicContact CE1-CD1 3.9Å; F425-L427 PolarHBondContact O-N 3.16Å; F425-F430 HydrophobicContact CE1-CB 3.95Å; F425-F430 HydrophobicContact CE1-CG 4.27Å; F425-F430 HydrophobicContact CE2-CD2 4.35Å; F425-F430 HydrophobicContact CZ-CB 3.73Å; F425-F430 AromaticContact CZ-CD2 3.63Å; F425-F430 HydrophobicContact CZ-CD2 3.63Å; F425-F430 HydrophobicContact CZ-CE2 4.45Å; F425-F430 AromaticContact CZ-CG 3.74Å; F425-F430 HydrophobicContact CZ-CG 3.74Å
426	N	83.1	Confident	73.7	Confident	5 Å²	5	46.9 Å²	46.9	3%	0.027	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	88.2	174.8	-169	-29.4	0	0	0	109.4	F407 T409 L429 F430	F407-N426 PolarHBondContact O-N 2.8Å; T409-N426 HydrophobicContact CG2-CB 4.04Å; N426-L429 HydrophobicContact CB-CB 3.92Å; N426-L429 HydrophobicContact CB-CD2 4.46Å; N426-L429 PolarHBondContact O-N 2.73Å; N426-L429 VanDerWaalsContact OD1-CB 3.24Å; N426-L429 WeakPolarHBondContact OD1-CB 3.44Å; N426-L429 PolarHBondContact OD1-N 3.36Å; N426-F430 PolarHBondContact O-N 2.88Å; N426-F430 VanDerWaalsContact O-N 3.16Å
427	L	80.7	Confident	75.9	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-62.9	-42.9	-179.1	-179.1	64.4	0	0	0	111.3	L302 P305 I307 I388 F425 L429 F430 E431	L302-L427 HydrophobicContact CD1-CD2 3.29Å; P305-L427 WeakPolarHBondContact O-CB 3.42Å; P305-L427 PolarHBondContact O-N 2.73Å; I307-L427 HydrophobicContact CD1-CB 4.43Å; I307-L427 HydrophobicContact CD1-CD2 3.96Å; I388-L427 HydrophobicContact CD1-CD2 4.38Å; I388-L427 HydrophobicContact CG2-CD1 4.23Å; I388-L427 HydrophobicContact CG2-CD2 4.44Å; F425-L427 HydrophobicContact CD1-CB 4.12Å; F425-L427 HydrophobicContact CD1-CD1 4.47Å; F425-L427 HydrophobicContact CE1-CB 4.23Å; F425-L427 HydrophobicContact CE1-CD1 3.9Å; F425-L427 PolarHBondContact O-N 3.16Å; L427-L429 VanDerWaalsContact C-N 3.31Å; L427-L429 PolarHBondContact O-N 3.43Å; L427-F430 CarbonylContact O-C 3.48Å; L427-F430 WeakPolarHBondContact O-CA 3.36Å; L427-F430 WeakPolarHBondContact O-CB 3.36Å; L427-F430 PolarHBondContact O-N 2.92Å; L427-E431 HydrophobicContact CD1-CG 4.19Å; L427-E431 HydrophobicContact CG-CG 4.16Å; L427-E431 WeakPolarHBondContact O-CG 3.15Å; L427-E431 PolarHBondContact O-N 3.44Å
428	A	82	Confident	77.9	Confident	6 Å²	6	43.7 Å²	43.7	5%	0.05	22%	0.223	C	C	.	.	H	α-helix	trans	-61.4	-38.4	-179.7	0	0	0	0	0	112.8	P305 E431 A432 Q499 I500	P305-A428 HydrophobicContact CB-CB 3.88Å; A428-E431 PolarHBondContact O-N 2.98Å; A428-A432 VanDerWaalsContact O-CB 3.31Å; A428-A432 WeakPolarHBondContact O-CB 2.97Å; A428-A432 PolarHBondContact O-N 2.71Å; A428-Q499 WeakPolarHBondContact CB-O 3.43Å; A428-I500 HydrophobicContact CB-CG1 4.32Å
429	L	85.6	Confident	79.9	Confident	4 Å²	4	37.8 Å²	37.8	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-65.5	-40.4	174.1	178.8	60.2	0	0	0	111.6	N426 L427 A433 V492 I500 Y528 F532	N426-L429 HydrophobicContact CB-CB 3.92Å; N426-L429 HydrophobicContact CB-CD2 4.46Å; N426-L429 PolarHBondContact O-N 2.73Å; N426-L429 VanDerWaalsContact OD1-CB 3.24Å; N426-L429 WeakPolarHBondContact OD1-CB 3.44Å; N426-L429 PolarHBondContact OD1-N 3.36Å; L427-L429 VanDerWaalsContact C-N 3.31Å; L427-L429 PolarHBondContact O-N 3.43Å; L429-A433 PolarHBondContact O-N 2.77Å; L429-A433 VanDerWaalsContact O-N 3.12Å; L429-V492 HydrophobicContact CD1-CG1 3.78Å; L429-V492 HydrophobicContact CD1-CG2 4.22Å; L429-I500 HydrophobicContact CB-CG2 4.21Å; L429-I500 HydrophobicContact CD1-CD1 3.9Å; L429-I500 HydrophobicContact CD1-CG2 4.48Å; L429-Y528 HydrophobicContact CD1-CE1 3.91Å; L429-F532 HydrophobicContact CD1-CD1 4.31Å; L429-F532 HydrophobicContact CD1-CD2 3.88Å; L429-F532 HydrophobicContact CD1-CE1 4.31Å; L429-F532 HydrophobicContact CD1-CE2 3.89Å; L429-F532 HydrophobicContact CD1-CG 4.08Å; L429-F532 HydrophobicContact CD1-CZ 4.1Å; L429-F532 HydrophobicContact CD2-CD2 3.78Å; L429-F532 HydrophobicContact CD2-CE2 3.58Å; L429-F532 HydrophobicContact CD2-CZ 4.4Å; L429-F532 HydrophobicContact CG-CD2 4.07Å; L429-F532 HydrophobicContact CG-CE2 3.67Å; L429-F532 HydrophobicContact CG-CZ 4Å
430	F	84.6	Confident	81.8	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.5	-49.1	175.1	-172.5	-79.2	0	0	0	111	L287 L288 H291 Y395 F407 F425 N426 L427 A432 A433 V434	L287-F430 HydrophobicContact CD2-CE2 4.21Å; L287-F430 HydrophobicContact CD2-CZ 4.36Å; L287-F430 HydrophobicContact CG-CE2 4.44Å; L287-F430 HydrophobicContact CG-CZ 4.09Å; L288-F430 HydrophobicContact CD2-CD1 4.29Å; L288-F430 HydrophobicContact CD2-CD2 4.19Å; L288-F430 HydrophobicContact CD2-CE1 3.8Å; L288-F430 HydrophobicContact CD2-CE2 3.78Å; L288-F430 HydrophobicContact CD2-CG 4.44Å; L288-F430 HydrophobicContact CD2-CZ 3.57Å; H291-F430 HydrophobicContact CB-CE1 4.05Å; H291-F430 AromaticContact CD2-CD1 3.69Å; H291-F430 AromaticContact CD2-CE1 3.08Å; H291-F430 WeakPolarHBondContact CD2-CE1 3.44Å; H291-F430 AromaticContact CD2-CZ 3.96Å; H291-F430 AromaticContact CG-CE1 3.71Å; H291-F430 AromaticContact NE2-CD1 3.94Å; H291-F430 AromaticContact NE2-CE1 3.79Å; Y395-F430 HydrophobicContact CD2-CE1 4.44Å; Y395-F430 HydrophobicContact CD2-CE2 4.16Å; Y395-F430 AromaticContact CD2-CZ 3.83Å; Y395-F430 HydrophobicContact CD2-CZ 3.83Å; Y395-F430 HydrophobicContact CE2-CE1 4.04Å; Y395-F430 AromaticContact CE2-CZ 3.78Å; Y395-F430 HydrophobicContact CE2-CZ 3.78Å; F407-F430 HydrophobicContact CD1-CB 3.89Å; F407-F430 AromaticContact CD1-CD2 3.46Å; F407-F430 HydrophobicContact CD1-CD2 3.46Å; F407-F430 VanDerWaalsContact CD1-CD2 3.46Å; F407-F430 HydrophobicContact CD1-CE2 4.44Å; F407-F430 HydrophobicContact CD1-CG 4.13Å; F407-F430 HydrophobicContact CD2-CD2 4.33Å; F407-F430 HydrophobicContact CE1-CB 4.13Å; F407-F430 AromaticContact CE1-CD2 3.35Å; F407-F430 HydrophobicContact CE1-CD2 3.35Å; F407-F430 HydrophobicContact CE1-CE2 4.07Å; F407-F430 HydrophobicContact CE1-CG 4.07Å; F407-F430 HydrophobicContact CE2-CD2 4.25Å; F407-F430 HydrophobicContact CE2-CE2 4.36Å; F407-F430 AromaticContact CG-CD2 3.95Å; F407-F430 HydrophobicContact CG-CD2 3.95Å; F407-F430 AromaticContact CZ-CD2 3.77Å; F407-F430 HydrophobicContact CZ-CD2 3.77Å; F407-F430 HydrophobicContact CZ-CE2 4.02Å; F425-F430 HydrophobicContact CE1-CB 3.95Å; F425-F430 HydrophobicContact CE1-CG 4.27Å; F425-F430 HydrophobicContact CE2-CD2 4.35Å; F425-F430 HydrophobicContact CZ-CB 3.73Å; F425-F430 AromaticContact CZ-CD2 3.63Å; F425-F430 HydrophobicContact CZ-CD2 3.63Å; F425-F430 HydrophobicContact CZ-CE2 4.45Å; F425-F430 AromaticContact CZ-CG 3.74Å; F425-F430 HydrophobicContact CZ-CG 3.74Å; N426-F430 PolarHBondContact O-N 2.88Å; N426-F430 VanDerWaalsContact O-N 3.16Å; L427-F430 CarbonylContact O-C 3.48Å; L427-F430 WeakPolarHBondContact O-CA 3.36Å; L427-F430 WeakPolarHBondContact O-CB 3.36Å; L427-F430 PolarHBondContact O-N 2.92Å; F430-A432 VanDerWaalsContact C-N 3.34Å; F430-A432 PolarHBondContact O-N 3.41Å; F430-A433 WeakPolarHBondContact O-CA 3.38Å; F430-A433 WeakPolarHBondContact O-CB 3.38Å; F430-A433 PolarHBondContact O-N 3.38Å; F430-V434 HydrophobicContact CD1-CG2 3.69Å; F430-V434 HydrophobicContact CE1-CG2 3.4Å; F430-V434 HydrophobicContact CZ-CG2 4.39Å; F430-V434 WeakPolarHBondContact O-CG2 3.44Å; F430-V434 PolarHBondContact O-N 3.37Å
431	E	82.5	Confident	83.6	Confident	51 Å²	51	22.8 Å²	22.8	24%	0.238	12%	0.123	C	C	.	.	H	α-helix	trans	-60	-41.1	177.1	-72.8	178.9	165.9	0	0	112.3	L427 A428 A433 V434 V435	L427-E431 HydrophobicContact CD1-CG 4.19Å; L427-E431 HydrophobicContact CG-CG 4.16Å; L427-E431 WeakPolarHBondContact O-CG 3.15Å; L427-E431 PolarHBondContact O-N 3.44Å; A428-E431 PolarHBondContact O-N 2.98Å; E431-A433 VanDerWaalsContact C-N 3.29Å; E431-A433 PolarHBondContact O-N 3.16Å; E431-V434 WeakPolarHBondContact O-CB 3.34Å; E431-V434 PolarHBondContact O-N 2.87Å; E431-V435 WeakPolarHBondContact O-CG2 3.4Å; E431-V435 PolarHBondContact O-N 3.19Å
432	A	88.3	Confident	85.1	Confident	5 Å²	5	23.1 Å²	23.1	4%	0.041	13%	0.125	C	C	.	.	H	α-helix	trans	-59.4	-42.8	173.7	0	0	0	0	0	111.1	A428 F430 V435 G436 S491 V492 A495 I500	A428-A432 VanDerWaalsContact O-CB 3.31Å; A428-A432 WeakPolarHBondContact O-CB 2.97Å; A428-A432 PolarHBondContact O-N 2.71Å; F430-A432 VanDerWaalsContact C-N 3.34Å; F430-A432 PolarHBondContact O-N 3.41Å; A432-V435 PolarHBondContact O-N 3.04Å; A432-G436 PolarHBondContact O-N 3.36Å; A432-G436 VanDerWaalsContact O-N 3.1Å; A432-S491 WeakPolarHBondContact O-CB 3.35Å; A432-S491 PolarHBondContact O-OG 2.94Å; A432-V492 HydrophobicContact CB-CG2 4.05Å; A432-A495 HydrophobicContact CB-CB 3.44Å; A432-A495 VanDerWaalsContact CB-CB 3.44Å; A432-I500 HydrophobicContact CB-CD1 3.91Å
433	A	90.6	Very high	86.8	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.6	-39.7	175.5	0	0	0	0	0	112.4	L288 L429 F430 E431 G436 V437 F532	L288-A433 HydrophobicContact CD1-CB 3.99Å; L288-A433 HydrophobicContact CD2-CB 3.9Å; L429-A433 PolarHBondContact O-N 2.77Å; L429-A433 VanDerWaalsContact O-N 3.12Å; F430-A433 WeakPolarHBondContact O-CA 3.38Å; F430-A433 WeakPolarHBondContact O-CB 3.38Å; F430-A433 PolarHBondContact O-N 3.38Å; E431-A433 VanDerWaalsContact C-N 3.29Å; E431-A433 PolarHBondContact O-N 3.16Å; A433-G436 PolarHBondContact O-N 3.07Å; A433-V437 WeakPolarHBondContact O-CG2 3.05Å; A433-V437 PolarHBondContact O-N 3.25Å; A433-F532 HydrophobicContact CB-CE1 3.95Å; A433-F532 HydrophobicContact CB-CZ 4.28Å
434	V	86.7	Confident	88.1	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-55.5	-52.7	173.7	164.8	0	0	0	0	111.1	L288 H291 L293 F430 E431 G436 V437 R438	L288-V434 HydrophobicContact CB-CG2 4.3Å; L288-V434 HydrophobicContact CD2-CG2 3.77Å; L288-V434 WeakPolarHBondContact O-CG1 3.14Å; L288-V434 WeakPolarHBondContact O-CG2 3.35Å; H291-V434 HydrophobicContact CB-CB 4.37Å; H291-V434 HydrophobicContact CB-CG1 3.99Å; H291-V434 HydrophobicContact CB-CG2 3.47Å; H291-V434 VanDerWaalsContact CB-CG2 3.47Å; L293-V434 HydrophobicContact CD2-CB 4.32Å; L293-V434 HydrophobicContact CD2-CG1 3.55Å; L293-V434 HydrophobicContact CG-CG1 3.98Å; F430-V434 HydrophobicContact CD1-CG2 3.69Å; F430-V434 HydrophobicContact CE1-CG2 3.4Å; F430-V434 HydrophobicContact CZ-CG2 4.39Å; F430-V434 WeakPolarHBondContact O-CG2 3.44Å; F430-V434 PolarHBondContact O-N 3.37Å; E431-V434 WeakPolarHBondContact O-CB 3.34Å; E431-V434 PolarHBondContact O-N 2.87Å; V434-G436 VanDerWaalsContact C-N 3.25Å; V434-G436 PolarHBondContact O-N 2.73Å; V434-V437 PolarHBondContact O-N 2.97Å; V434-R438 PolarHBondContact O-N 2.83Å
435	V	87.2	Confident	89	Confident	33 Å²	33	22.2 Å²	22.2	20%	0.2	11%	0.106	C	C	.	.	H	α-helix	trans	-57.8	-42.4	179.1	171.8	0	0	0	0	110.6	L293 E431 A432 R439	L293-V435 HydrophobicContact CD1-CG2 4.29Å; L293-V435 HydrophobicContact CD2-CG2 3.91Å; E431-V435 WeakPolarHBondContact O-CG2 3.4Å; E431-V435 PolarHBondContact O-N 3.19Å; A432-V435 PolarHBondContact O-N 3.04Å; V435-R439 HydrophobicContact CG1-CG 4.49Å; V435-R439 VanDerWaalsContact CG1-CZ 3.48Å; V435-R439 WeakPolarHBondContact O-CB 3.42Å; V435-R439 VanDerWaalsContact O-CG 3.28Å; V435-R439 WeakPolarHBondContact O-CG 3.01Å; V435-R439 PolarHBondContact O-N 3.46Å
436	G	93.7	Very high	89.8	Confident	0 Å²	0	26 Å²	26	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.6	-46.1	178.3	0	0	0	0	0	113.5	A432 A433 V434 A440 G487 S491	A432-G436 PolarHBondContact O-N 3.36Å; A432-G436 VanDerWaalsContact O-N 3.1Å; A433-G436 PolarHBondContact O-N 3.07Å; V434-G436 VanDerWaalsContact C-N 3.25Å; V434-G436 PolarHBondContact O-N 2.73Å; G436-A440 WeakPolarHBondContact O-CB 3.38Å; G436-A440 PolarHBondContact O-N 3.41Å; G436-G487 VanDerWaalsContact CA-O 3.28Å; G436-G487 WeakPolarHBondContact CA-O 3.34Å; G436-G487 WeakPolarHBondContact O-CA 3.31Å; G436-S491 VanDerWaalsContact CA-CB 3.48Å; G436-S491 WeakPolarHBondContact CA-OG 3.36Å; G436-S491 PolarHBondContact N-OG 3.41Å
437	V	92.8	Very high	90.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.5	-48.1	177.5	170.7	0	0	0	0	110.7	A285 L288 H289 A433 V434 R439 A440 V441 I484 I488	A285-V437 HydrophobicContact CB-CG1 4.3Å; L288-V437 HydrophobicContact CB-CB 4.04Å; L288-V437 HydrophobicContact CB-CG1 4.32Å; L288-V437 HydrophobicContact CB-CG2 3.84Å; L288-V437 HydrophobicContact CD1-CG2 3.61Å; L288-V437 HydrophobicContact CG-CG2 4.39Å; H289-V437 HydrophobicContact CB-CG1 4.09Å; A433-V437 WeakPolarHBondContact O-CG2 3.05Å; A433-V437 PolarHBondContact O-N 3.25Å; V434-V437 PolarHBondContact O-N 2.97Å; V437-R439 PolarHBondContact O-N 3.35Å; V437-A440 WeakPolarHBondContact O-CB 3.47Å; V437-A440 PolarHBondContact O-N 3.14Å; V437-A440 VanDerWaalsContact O-N 3.1Å; V437-V441 HydrophobicContact CG1-CG2 4.15Å; V437-V441 VanDerWaalsContact O-CG2 3.31Å; V437-V441 WeakPolarHBondContact O-CG2 3.38Å; V437-V441 PolarHBondContact O-N 3.44Å; V437-I484 HydrophobicContact CG1-CD1 4.07Å; V437-I484 HydrophobicContact CG2-CG2 4.36Å; V437-I488 HydrophobicContact CG2-CD1 3.97Å; V437-I488 HydrophobicContact CG2-CG1 3.83Å
438	R	89.9	Confident	91.2	Very high	75 Å²	75	27.2 Å²	27.2	28%	0.283	13%	0.126	S	C	.	.	H	α-helix	trans	-57.7	-47.2	178.9	-73.6	179.5	169.2	-163.5	-9	112.5	H289 H291 L293 V434 A440 V441 A442	H289-R438 PolarHBondContact O-NE 3.07Å; H289-R438 PolarHBondContact O-NH2 2.91Å; H291-R438 VanDerWaalsContact O-CZ 3.3Å; H291-R438 PolarHBondContact O-NH2 2.86Å; L293-R438 VanDerWaalsContact CD1-NH1 3.34Å; V434-R438 PolarHBondContact O-N 2.83Å; R438-A440 VanDerWaalsContact C-N 3.32Å; R438-A440 PolarHBondContact O-N 2.72Å; R438-V441 PolarHBondContact O-N 3.24Å; R438-A442 WeakPolarHBondContact O-CB 3.14Å; R438-A442 PolarHBondContact O-N 2.92Å
439	R	92.4	Very high	91.7	Very high	87 Å²	87	32 Å²	32	33%	0.328	14%	0.143	S	C	.	.	H	α-helix	trans	-58.2	-44.6	175	-71.3	174.1	-176.7	175.1	1.4	111.3	V435 V437 E443 E494 M591	V435-R439 HydrophobicContact CG1-CG 4.49Å; V435-R439 VanDerWaalsContact CG1-CZ 3.48Å; V435-R439 WeakPolarHBondContact O-CB 3.42Å; V435-R439 VanDerWaalsContact O-CG 3.28Å; V435-R439 WeakPolarHBondContact O-CG 3.01Å; V435-R439 PolarHBondContact O-N 3.46Å; V437-R439 PolarHBondContact O-N 3.35Å; R439-E443 WeakPolarHBondContact O-CB 2.97Å; R439-E443 PolarHBondContact O-N 3.31Å; R439-E494 IonicContact CZ-OE2 3.09Å; R439-E494 IonicContact NH1-OE1 3.86Å; R439-E494 IonicContact NH1-OE2 3.82Å; R439-E494 PolarHBondContact NH1-OE2 3.06Å; R439-E494 IonicContact NH2-OE1 2.84Å; R439-E494 IonicContact NH2-OE2 3.88Å; R439-M591 HydrophobicContact CB-CB 4.41Å; R439-M591 HydrophobicContact CB-CE 3.84Å; R439-M591 HydrophobicContact CB-CG 4.18Å; R439-M591 WeakPolarHBondContact O-CG 3.5Å
440	A	96.5	Very high	92	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.9	-40.6	179.2	0	0	0	0	0	113	G436 V437 R438 E443 C444 I483 I484 M591	G436-A440 WeakPolarHBondContact O-CB 3.38Å; G436-A440 PolarHBondContact O-N 3.41Å; V437-A440 WeakPolarHBondContact O-CB 3.47Å; V437-A440 PolarHBondContact O-N 3.14Å; V437-A440 VanDerWaalsContact O-N 3.1Å; R438-A440 VanDerWaalsContact C-N 3.32Å; R438-A440 PolarHBondContact O-N 2.72Å; A440-E443 PolarHBondContact O-N 3.31Å; A440-C444 WeakPolarHBondContact O-CB 3.49Å; A440-C444 PolarHBondContact O-N 3.48Å; A440-I483 HydrophobicContact CB-CG1 4.01Å; A440-I483 WeakPolarHBondContact CB-O 3.45Å; A440-I484 HydrophobicContact CB-CD1 4.04Å; A440-M591 HydrophobicContact CB-CE 4.21Å
441	V	92.7	Very high	92.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-72.6	-40.5	179.3	-167.2	0	0	0	0	111.5	V437 R438 E443 C444 R445 Q457 L465 F466 I484	V437-V441 HydrophobicContact CG1-CG2 4.15Å; V437-V441 VanDerWaalsContact O-CG2 3.31Å; V437-V441 WeakPolarHBondContact O-CG2 3.38Å; V437-V441 PolarHBondContact O-N 3.44Å; R438-V441 PolarHBondContact O-N 3.24Å; V441-E443 VanDerWaalsContact C-N 3.29Å; V441-E443 PolarHBondContact O-N 3.47Å; V441-C444 WeakPolarHBondContact O-CB 3.5Å; V441-C444 PolarHBondContact O-N 3.3Å; V441-R445 WeakPolarHBondContact O-CG 3.27Å; V441-R445 PolarHBondContact O-N 3.49Å; V441-Q457 HydrophobicContact CG1-CG 3.89Å; V441-L465 HydrophobicContact CG2-CD2 3.96Å; V441-F466 HydrophobicContact CB-CZ 4.41Å; V441-F466 HydrophobicContact CG1-CE1 3.84Å; V441-F466 HydrophobicContact CG1-CZ 3.78Å; V441-F466 HydrophobicContact CG2-CE2 4.46Å; V441-F466 HydrophobicContact CG2-CZ 3.86Å; V441-I484 HydrophobicContact CG2-CD1 3.89Å
442	A	91	Very high	92.9	Very high	58 Å²	58	35.5 Å²	35.5	48%	0.479	16%	0.157	S	C	.	.	H	α-helix	trans	-58.1	-44.3	173.4	0	0	0	0	0	111.2	R438 R445 Y446	R438-A442 WeakPolarHBondContact O-CB 3.14Å; R438-A442 PolarHBondContact O-N 2.92Å; A442-R445 PolarHBondContact O-N 3.29Å; A442-Y446 PolarHBondContact O-N 3.4Å
443	E	97.3	Very high	93.2	Very high	9 Å²	9	35.9 Å²	35.9	4%	0.042	16%	0.158	C	C	.	.	H	α-helix	trans	-67.5	-37.6	176.9	-172.9	60.9	-150.4	0	0	112.7	R439 A440 V441 R445 Y446 Q447 I483 M591 R592	R439-E443 WeakPolarHBondContact O-CB 2.97Å; R439-E443 PolarHBondContact O-N 3.31Å; A440-E443 PolarHBondContact O-N 3.31Å; V441-E443 VanDerWaalsContact C-N 3.29Å; V441-E443 PolarHBondContact O-N 3.47Å; E443-R445 VanDerWaalsContact C-N 3.34Å; E443-R445 PolarHBondContact O-N 2.99Å; E443-Y446 WeakPolarHBondContact O-CB 3.38Å; E443-Y446 PolarHBondContact O-N 2.95Å; E443-Q447 HydrophobicContact CG-CG 4.32Å; E443-Q447 VanDerWaalsContact O-CG 3.31Å; E443-Q447 WeakPolarHBondContact O-CG 3.14Å; E443-Q447 PolarHBondContact O-N 3.37Å; E443-Q447 PolarHBondContact OE1-NE2 2.73Å; E443-I483 HydrophobicContact CG-CD1 4.5Å; E443-M591 HydrophobicContact CB-CG 3.49Å; E443-M591 VanDerWaalsContact CB-CG 3.49Å; E443-M591 HydrophobicContact CB-SD 4.23Å; E443-M591 HydrophobicContact CG-CG 3.83Å; E443-M591 HydrophobicContact CG-SD 4.42Å; E443-R592 WeakPolarHBondContact OE1-CD 3.38Å; E443-R592 IonicContact OE1-NE 2.63Å; E443-R592 PolarHBondContact OE1-NE 3.42Å; E443-R592 WeakPolarHBondContact OE2-CA 3.47Å; E443-R592 IonicContact OE2-CZ 2.8Å; E443-R592 IonicContact OE2-NE 2.92Å; E443-R592 PolarHBondContact OE2-NE 3.01Å; E443-R592 IonicContact OE2-NH2 3.58Å
444	C	97.3	Very high	93.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.6	-44.9	173.7	-175.3	0	0	0	0	111.7	A440 V441 Y446 Q447 F448 C455 F479 I483	A440-C444 WeakPolarHBondContact O-CB 3.49Å; A440-C444 PolarHBondContact O-N 3.48Å; V441-C444 WeakPolarHBondContact O-CB 3.5Å; V441-C444 PolarHBondContact O-N 3.3Å; C444-Y446 VanDerWaalsContact C-N 3.32Å; C444-Y446 PolarHBondContact O-N 2.83Å; C444-Q447 PolarHBondContact O-N 3.44Å; C444-F448 WeakPolarHBondContact O-CB 3.37Å; C444-F448 WeakPolarHBondContact O-CD2 2.93Å; C444-F448 PolarHBondContact O-N 2.93Å; C444-C455 HydrophobicContact CB-CB 3.99Å; C444-C455 WeakPolarHBondContact CB-SG 3.48Å; C444-C455 WeakPolarHBondContact SG-CB 3.3Å; C444-C455 CovalentContact SG-SG 2.03Å; C444-C455 PolarHBondContact SG-SG 3.16Å; C444-F479 HydrophobicContact CB-CE1 4.13Å; C444-I483 HydrophobicContact CB-CG2 4.34Å
445	R	94.9	Very high	93.5	Very high	132 Å²	132	38.2 Å²	38.2	50%	0.498	17%	0.17	S	C	.	.	H	α-helix	trans	-59.8	-44.5	173.5	-69.5	170.8	65.5	126.7	1.6	111.2	V441 A442 E443 F448 R449 C455	V441-R445 WeakPolarHBondContact O-CG 3.27Å; V441-R445 PolarHBondContact O-N 3.49Å; A442-R445 PolarHBondContact O-N 3.29Å; E443-R445 VanDerWaalsContact C-N 3.34Å; E443-R445 PolarHBondContact O-N 2.99Å; R445-F448 PolarHBondContact O-N 3.49Å; R445-R449 WeakPolarHBondContact O-CA 3.38Å; R445-R449 WeakPolarHBondContact O-CB 3.25Å; R445-R449 PolarHBondContact O-N 3.45Å; R445-C455 HydrophobicContact CG-CB 4.39Å; R445-C455 WeakPolarHBondContact CG-O 3.34Å
446	Y	95.8	Very high	93.6	Very high	80 Å²	80	37.3 Å²	37.3	31%	0.314	17%	0.166	S	C	.	.	H	α-helix	trans	-59.9	-48.1	177.8	-179	-93.9	0	0	0	112.1	A442 E443 C444 F448 R449	A442-Y446 PolarHBondContact O-N 3.4Å; E443-Y446 WeakPolarHBondContact O-CB 3.38Å; E443-Y446 PolarHBondContact O-N 2.95Å; C444-Y446 VanDerWaalsContact C-N 3.32Å; C444-Y446 PolarHBondContact O-N 2.83Å; Y446-F448 VanDerWaalsContact C-N 3.34Å; Y446-F448 PolarHBondContact O-N 3.26Å; Y446-R449 VanDerWaalsContact CE1-NH1 3.29Å; Y446-R449 WeakPolarHBondContact O-CD 3.28Å; Y446-R449 WeakPolarHBondContact O-CG 2.73Å; Y446-R449 PolarHBondContact O-NH1 2.98Å
447	Q	97	Very high	93.1	Very high	30 Å²	30	39 Å²	39	14%	0.14	17%	0.174	C	C	.	.	H	α-helix	trans	-67.3	-32.2	-178.2	-67	-65.2	-23.7	0	0	112.9	E443 C444 F479 G595 T596 K599	E443-Q447 HydrophobicContact CG-CG 4.32Å; E443-Q447 VanDerWaalsContact O-CG 3.31Å; E443-Q447 WeakPolarHBondContact O-CG 3.14Å; E443-Q447 PolarHBondContact O-N 3.37Å; E443-Q447 PolarHBondContact OE1-NE2 2.73Å; C444-Q447 PolarHBondContact O-N 3.44Å; Q447-F479 HydrophobicContact CB-CZ 4.23Å; Q447-F479 HydrophobicContact CG-CZ 4.3Å; Q447-G595 VanDerWaalsContact NE2-C 3.26Å; Q447-T596 VanDerWaalsContact NE2-N 3.19Å; Q447-T596 PolarHBondContact NE2-OG1 3.17Å; Q447-K599 HydrophobicContact CG-CB 4.45Å; Q447-K599 VanDerWaalsContact OE1-CB 3.31Å
448	F	95.6	Very high	92.4	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.009	18%	0.182	C	C	.	.	H	α-helix	trans	-102.8	3	-177	-76.4	-86.8	0	0	0	114.5	C444 R445 Y446 H450 E451 W453 N454 C455 F479 K599 Y602	C444-F448 WeakPolarHBondContact O-CB 3.37Å; C444-F448 WeakPolarHBondContact O-CD2 2.93Å; C444-F448 PolarHBondContact O-N 2.93Å; R445-F448 PolarHBondContact O-N 3.49Å; Y446-F448 VanDerWaalsContact C-N 3.34Å; Y446-F448 PolarHBondContact O-N 3.26Å; F448-H450 PolarHBondContact O-N 3.39Å; F448-E451 HydrophobicContact CB-CB 4.43Å; F448-E451 HydrophobicContact CD1-CB 3.88Å; F448-E451 HydrophobicContact CD1-CG 3.75Å; F448-E451 HydrophobicContact CE1-CG 4.4Å; F448-E451 HydrophobicContact CG-CG 4.49Å; F448-E451 WeakPolarHBondContact O-CB 3.44Å; F448-E451 PolarHBondContact O-N 2.83Å; F448-W453 WeakPolarHBondContact CB-O 2.8Å; F448-W453 AromaticContact CD1-CE3 3.69Å; F448-W453 HydrophobicContact CD1-CE3 3.69Å; F448-W453 AromaticContact CD1-CZ3 3.93Å; F448-W453 HydrophobicContact CD1-CZ3 3.93Å; F448-W453 HydrophobicContact CD2-CZ3 4.02Å; F448-W453 AromaticContact CE1-CE3 3.99Å; F448-W453 HydrophobicContact CE1-CE3 3.99Å; F448-W453 HydrophobicContact CE1-CZ3 4.04Å; F448-W453 HydrophobicContact CE2-CZ3 4.12Å; F448-W453 HydrophobicContact CG-CE3 4.01Å; F448-W453 AromaticContact CG-CZ3 3.94Å; F448-W453 HydrophobicContact CG-CZ3 3.94Å; F448-W453 HydrophobicContact CZ-CZ3 4.14Å; F448-N454 WeakPolarHBondContact O-CA 2.87Å; F448-C455 HydrophobicContact CB-CB 4.17Å; F448-F479 HydrophobicContact CD2-CD1 4.36Å; F448-F479 HydrophobicContact CD2-CE1 4.22Å; F448-F479 HydrophobicContact CD2-CZ 4.45Å; F448-F479 HydrophobicContact CE2-CB 4.3Å; F448-F479 AromaticContact CE2-CD1 3.52Å; F448-F479 HydrophobicContact CE2-CD1 3.52Å; F448-F479 AromaticContact CE2-CD2 3.68Å; F448-F479 HydrophobicContact CE2-CD2 3.68Å; F448-F479 AromaticContact CE2-CE1 3.64Å; F448-F479 HydrophobicContact CE2-CE1 3.64Å; F448-F479 AromaticContact CE2-CE2 3.77Å; F448-F479 HydrophobicContact CE2-CE2 3.77Å; F448-F479 AromaticContact CE2-CG 3.55Å; F448-F479 HydrophobicContact CE2-CG 3.55Å; F448-F479 AromaticContact CE2-CZ 3.76Å; F448-F479 HydrophobicContact CE2-CZ 3.76Å; F448-F479 HydrophobicContact CZ-CB 4.29Å; F448-F479 HydrophobicContact CZ-CD1 4.33Å; F448-F479 AromaticContact CZ-CD2 3.95Å; F448-F479 HydrophobicContact CZ-CD2 3.95Å; F448-F479 HydrophobicContact CZ-CE2 4.35Å; F448-F479 AromaticContact CZ-CG 3.93Å; F448-F479 HydrophobicContact CZ-CG 3.93Å; F448-K599 HydrophobicContact CZ-CD 4.41Å; F448-Y602 HydrophobicContact CE1-CD1 4.43Å; F448-Y602 AromaticContact CE1-CE1 3.86Å; F448-Y602 HydrophobicContact CE1-CE1 3.86Å; F448-Y602 HydrophobicContact CE1-CE2 4.21Å; F448-Y602 AromaticContact CE1-CZ 3.73Å; F448-Y602 HydrophobicContact CZ-CD1 4.19Å; F448-Y602 HydrophobicContact CZ-CD2 4.12Å; F448-Y602 HydrophobicContact CZ-CE1 4.01Å; F448-Y602 AromaticContact CZ-CE2 3.89Å; F448-Y602 HydrophobicContact CZ-CE2 3.89Å; F448-Y602 HydrophobicContact CZ-CG 4.25Å; F448-Y602 AromaticContact CZ-CZ 3.86Å
449	R	92.9	Very high	91.4	Very high	107 Å²	107	44.4 Å²	44.4	40%	0.404	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-26.3	-174.6	69.7	-174.1	-176	-98	9	115	R445 Y446 R739	R445-R449 WeakPolarHBondContact O-CA 3.38Å; R445-R449 WeakPolarHBondContact O-CB 3.25Å; R445-R449 PolarHBondContact O-N 3.45Å; Y446-R449 VanDerWaalsContact CE1-NH1 3.29Å; Y446-R449 WeakPolarHBondContact O-CD 3.28Å; Y446-R449 WeakPolarHBondContact O-CG 2.73Å; Y446-R449 PolarHBondContact O-NH1 2.98Å; R449-R739 PolarHBondContact O-NH2 3.41Å
450	H	92.7	Very high	90.3	Very high	68 Å²	68	44 Å²	44	32%	0.315	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	0.9	-179.2	-61.4	-43.4	0	0	0	113.6	F448 M748 N749	F448-H450 PolarHBondContact O-N 3.39Å; H450-M748 CarbonylContact O-C 3.55Å; H450-M748 VanDerWaalsContact O-O 3.1Å; H450-N749 HydrophobicContact CB-CB 3.89Å
451	E	93.1	Very high	88.5	Confident	30 Å²	30	50.6 Å²	50.6	14%	0.14	25%	0.248	C	C	.	.	S	Bend	trans	-92.5	153.9	177.9	-63.7	-73	-171.1	0	0	110.3	F448 W453 K599 R739 M748	F448-E451 HydrophobicContact CB-CB 4.43Å; F448-E451 HydrophobicContact CD1-CB 3.88Å; F448-E451 HydrophobicContact CD1-CG 3.75Å; F448-E451 HydrophobicContact CE1-CG 4.4Å; F448-E451 HydrophobicContact CG-CG 4.49Å; F448-E451 WeakPolarHBondContact O-CB 3.44Å; F448-E451 PolarHBondContact O-N 2.83Å; E451-W453 WeakPolarHBondContact CB-O 3.44Å; E451-W453 CarbonylContact O-C 3.49Å; E451-W453 PolarHBondContact O-N 2.84Å; E451-K599 IonicContact OE1-NZ 3.77Å; E451-K599 PolarHBondContact OE1-NZ 3.39Å; E451-R739 PolarHBondContact O-NH1 3.38Å; E451-R739 PolarHBondContact O-NH2 2.95Å; E451-M748 WeakPolarHBondContact OE1-CE 3.45Å
452	R	93.5	Very high	86.9	Confident	29 Å²	29	58.5 Å²	58.5	11%	0.109	28%	0.284	C	S	.	.	S	Bend	trans	-55.8	-36	179.9	-66.2	-178.3	-176.4	138.2	11.3	113.4	E721 F724 T736 R739 H753 L754 C756	R452-E721 WeakPolarHBondContact CD-O 3.45Å; R452-E721 IonicContact CZ-OE2 3.31Å; R452-E721 PolarHBondContact NH1-O 3.14Å; R452-E721 IonicContact NH1-OE2 3.48Å; R452-E721 PolarHBondContact NH1-OE2 2.94Å; R452-E721 VanDerWaalsContact NH1-OE2 3.09Å; R452-F724 HydrophobicContact CB-CB 3.84Å; R452-T736 HydrophobicContact CB-CG2 4.01Å; R452-T736 HydrophobicContact CG-CG2 4.21Å; R452-R739 VanDerWaalsContact C-NH1 3.28Å; R452-R739 PolarHBondContact O-NH1 2.64Å; R452-H753 PolarHBondContact NE-O 3.08Å; R452-H753 PolarHBondContact NH2-CE1 3.11Å; R452-H753 PolarHBondContact NH2-ND1 3.09Å; R452-H753 PolarHBondContact NH2-O 2.72Å; R452-H753 VanDerWaalsContact NH2-O 3.11Å; R452-L754 HydrophobicContact CG-CD1 4.47Å; R452-C756 PolarHBondContact NE-SG 3.46Å
453	W	92.8	Very high	85.3	Confident	14 Å²	14	57.2 Å²	57.2	5%	0.053	27%	0.271	C	S	.	.	S	Bend	trans	-97.1	121.6	164	177.7	71	0	0	0	109.4	F448 E451 C455 I469 Q476 I480 F724	F448-W453 WeakPolarHBondContact CB-O 2.8Å; F448-W453 AromaticContact CD1-CE3 3.69Å; F448-W453 HydrophobicContact CD1-CE3 3.69Å; F448-W453 AromaticContact CD1-CZ3 3.93Å; F448-W453 HydrophobicContact CD1-CZ3 3.93Å; F448-W453 HydrophobicContact CD2-CZ3 4.02Å; F448-W453 AromaticContact CE1-CE3 3.99Å; F448-W453 HydrophobicContact CE1-CE3 3.99Å; F448-W453 HydrophobicContact CE1-CZ3 4.04Å; F448-W453 HydrophobicContact CE2-CZ3 4.12Å; F448-W453 HydrophobicContact CG-CE3 4.01Å; F448-W453 AromaticContact CG-CZ3 3.94Å; F448-W453 HydrophobicContact CG-CZ3 3.94Å; F448-W453 HydrophobicContact CZ-CZ3 4.14Å; E451-W453 WeakPolarHBondContact CB-O 3.44Å; E451-W453 CarbonylContact O-C 3.49Å; E451-W453 PolarHBondContact O-N 2.84Å; W453-C455 HydrophobicContact CH2-CB 3.85Å; W453-C455 HydrophobicContact CZ2-CB 4.12Å; W453-C455 HydrophobicContact CZ3-CB 4.18Å; W453-I469 HydrophobicContact CD2-CD1 4.38Å; W453-I469 HydrophobicContact CG-CD1 4.44Å; W453-I469 HydrophobicContact CZ2-CD1 4.24Å; W453-Q476 HydrophobicContact CB-CG 4.45Å; W453-Q476 HydrophobicContact CD2-CB 4.07Å; W453-Q476 HydrophobicContact CD2-CG 3.69Å; W453-Q476 HydrophobicContact CE3-CB 3.71Å; W453-Q476 HydrophobicContact CE3-CG 3.32Å; W453-Q476 HydrophobicContact CG-CG 4.2Å; W453-Q476 HydrophobicContact CH2-CB 4.02Å; W453-Q476 HydrophobicContact CZ2-CB 4.36Å; W453-Q476 HydrophobicContact CZ3-CB 3.68Å; W453-Q476 HydrophobicContact CZ3-CG 3.8Å; W453-I480 HydrophobicContact CH2-CD1 3.6Å; W453-I480 HydrophobicContact CH2-CG1 3.77Å; W453-I480 HydrophobicContact CZ2-CD1 3.7Å; W453-I480 HydrophobicContact CZ2-CG1 4.36Å; W453-F724 HydrophobicContact CB-CB 4.45Å; W453-F724 HydrophobicContact CB-CD1 3.72Å; W453-F724 HydrophobicContact CB-CD2 4.33Å; W453-F724 HydrophobicContact CB-CE1 3.94Å; W453-F724 HydrophobicContact CB-CG 3.92Å; W453-F724 HydrophobicContact CB-CZ 4.34Å; W453-F724 HydrophobicContact CG-CD1 4.17Å; W453-F724 HydrophobicContact CG-CE1 4.07Å
454	N	92.1	Very high	83.7	Confident	48 Å²	48	57.2 Å²	57.2	26%	0.257	27%	0.273	S	S	.	.			trans	-105.9	23.4	-170.4	65.7	-17.9	0	0	0	114.9	F448 S456	F448-N454 WeakPolarHBondContact O-CA 2.87Å; N454-S456 PolarHBondContact O-N 2.88Å; N454-S456 WeakPolarHBondContact OD1-CB 3.47Å; N454-S456 PolarHBondContact OD1-N 3.43Å
455	C	93	Very high	82.9	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.274	C	S	.	.			trans	53.5	41.1	-174	-160	0	0	0	0	113.3	C444 R445 F448 W453 F466	C444-C455 HydrophobicContact CB-CB 3.99Å; C444-C455 WeakPolarHBondContact CB-SG 3.48Å; C444-C455 WeakPolarHBondContact SG-CB 3.3Å; C444-C455 CovalentContact SG-SG 2.03Å; C444-C455 PolarHBondContact SG-SG 3.16Å; R445-C455 HydrophobicContact CG-CB 4.39Å; R445-C455 WeakPolarHBondContact CG-O 3.34Å; F448-C455 HydrophobicContact CB-CB 4.17Å; W453-C455 HydrophobicContact CH2-CB 3.85Å; W453-C455 HydrophobicContact CZ2-CB 4.12Å; W453-C455 HydrophobicContact CZ3-CB 4.18Å; C455-F466 VanDerWaalsContact SG-CE1 3.5Å
456	S	88.4	Confident	82.3	Confident	15 Å²	15	51.4 Å²	51.4	11%	0.105	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-62.6	138.8	177.4	52.8	0	0	0	0	112	N454	N454-S456 PolarHBondContact O-N 2.88Å; N454-S456 WeakPolarHBondContact OD1-CB 3.47Å; N454-S456 PolarHBondContact OD1-N 3.43Å
457	Q	83.2	Confident	81.6	Confident	36 Å²	36	47.6 Å²	47.6	17%	0.168	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-95.9	151.6	172.4	-62.2	174.6	19.8	0	0	110.8	H289 V441 L465	H289-Q457 PolarHBondContact CE1-NE2 3.07Å; H289-Q457 PolarHBondContact CE1-OE1 3.21Å; H289-Q457 PolarHBondContact NE2-NE2 3.16Å; H289-Q457 VanDerWaalsContact NE2-NE2 3.14Å; V441-Q457 HydrophobicContact CG1-CG 3.89Å; Q457-L465 CarbonylContact C-O 3.47Å; Q457-L465 WeakPolarHBondContact CA-O 3.34Å; Q457-L465 HydrophobicContact CB-CD1 4.21Å; Q457-L465 HydrophobicContact CG-CD1 3.9Å; Q457-L465 HydrophobicContact CG-CG 4.42Å
458	V	77.8	Confident	81	Confident	29 Å²	29	47.1 Å²	47.1	18%	0.176	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-91.5	126.2	169.1	-160.3	0	0	0	0	108.8	D460 T463 A464 L465 H732	V458-D460 HydrophobicContact CG1-CB 4.39Å; V458-T463 WeakPolarHBondContact CB-OG1 3.4Å; V458-T463 HydrophobicContact CG1-CG2 4.23Å; V458-T463 WeakPolarHBondContact CG1-OG1 3.32Å; V458-A464 WeakPolarHBondContact CB-O 3.46Å; V458-A464 WeakPolarHBondContact CG2-O 3.2Å; V458-L465 PolarHBondContact N-O 3.31Å; V458-H732 HydrophobicContact CG2-CB 3.57Å; V458-H732 VanDerWaalsContact CG2-CD2 3.44Å; V458-H732 WeakPolarHBondContact CG2-CD2 3.41Å
459	L	69.5	Low	80.6	Confident	158 Å²	158	47.2 Å²	47.2	83%	0.827	24%	0.235	S	C	*	.			trans	-85.5	-15.6	-175.6	-63.8	174.5	0	0	0	113.4
460	D	68.6	Low	80.4	Confident	79 Å²	79	42.5 Å²	42.5	42%	0.422	22%	0.218	S	C	.	.			trans	-69.7	131.5	-178.2	173	19.5	0	0	0	110.9	K286 V458 E462 T463	K286-D460 PolarHBondContact NZ-O 2.84Å; V458-D460 HydrophobicContact CG1-CB 4.39Å; D460-E462 PolarHBondContact O-N 3.18Å; D460-E462 PolarHBondContact OD1-N 2.93Å; D460-E462 VanDerWaalsContact OD1-N 3.16Å; D460-T463 HydrophobicContact CB-CG2 4.12Å; D460-T463 PolarHBondContact O-N 3.44Å; D460-T463 PolarHBondContact O-OG1 3.31Å; D460-T463 WeakPolarHBondContact OD2-CG2 3.47Å
461	D	59.4	Low	80.1	Confident	139 Å²	139	41.4 Å²	41.4	74%	0.743	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-24.7	-179.8	-79.1	-21.8	0	0	0	113.8	K286	K286-D461 PolarHBondContact NZ-O 3.19Å
462	E	59	Low	79.9	Confident	165 Å²	165	41.9 Å²	41.9	77%	0.771	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-23.7	178.2	-60.5	-168.5	168.7	0	0	113.9	D460	D460-E462 PolarHBondContact O-N 3.18Å; D460-E462 PolarHBondContact OD1-N 2.93Å; D460-E462 VanDerWaalsContact OD1-N 3.16Å
463	T	57	Low	79.9	Confident	31 Å²	31	40.5 Å²	40.5	19%	0.19	21%	0.21	C	C	.	.	S	Bend	trans	-93.1	163.9	-169.1	58.5	0	0	0	0	113.6	K286 V458 D460	K286-T463 WeakPolarHBondContact CD-O 3.41Å; K286-T463 WeakPolarHBondContact CE-O 3.48Å; K286-T463 PolarHBondContact NZ-O 2.86Å; V458-T463 WeakPolarHBondContact CB-OG1 3.4Å; V458-T463 HydrophobicContact CG1-CG2 4.23Å; V458-T463 WeakPolarHBondContact CG1-OG1 3.32Å; D460-T463 HydrophobicContact CB-CG2 4.12Å; D460-T463 PolarHBondContact O-N 3.44Å; D460-T463 PolarHBondContact O-OG1 3.31Å; D460-T463 WeakPolarHBondContact OD2-CG2 3.47Å
464	A	65	Low	80	Confident	10 Å²	10	39.9 Å²	39.9	8%	0.083	21%	0.208	C	C	.	.			trans	-64.1	143.4	173.4	0	0	0	0	0	112.6	W279 D282 V458 F466 G467	W279-A464 HydrophobicContact CE3-CB 4.35Å; D282-A464 HydrophobicContact CB-CB 4.07Å; D282-A464 WeakPolarHBondContact OD2-CA 3.5Å; D282-A464 WeakPolarHBondContact OD2-CB 3.29Å; V458-A464 WeakPolarHBondContact CB-O 3.46Å; V458-A464 WeakPolarHBondContact CG2-O 3.2Å; A464-F466 VanDerWaalsContact C-N 3.3Å; A464-F466 PolarHBondContact O-N 3.09Å; A464-G467 WeakPolarHBondContact CB-O 3.4Å; A464-G467 WeakPolarHBondContact O-CA 3.38Å; A464-G467 PolarHBondContact O-N 3.49Å
465	L	79.2	Confident	80.1	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.021	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.9	-47.9	176.1	177.1	66.8	0	0	0	112.2	D282 A285 K286 H289 V441 Q457 V458	D282-L465 PolarHBondContact OD1-N 3.46Å; D282-L465 VanDerWaalsContact OD1-N 3.1Å; D282-L465 PolarHBondContact OD2-N 3.27Å; A285-L465 HydrophobicContact CB-CD2 3.62Å; K286-L465 HydrophobicContact CB-CB 3.91Å; K286-L465 HydrophobicContact CG-CB 4.46Å; H289-L465 HydrophobicContact CB-CD1 4.17Å; H289-L465 HydrophobicContact CB-CD2 4.17Å; V441-L465 HydrophobicContact CG2-CD2 3.96Å; Q457-L465 CarbonylContact C-O 3.47Å; Q457-L465 WeakPolarHBondContact CA-O 3.34Å; Q457-L465 HydrophobicContact CB-CD1 4.21Å; Q457-L465 HydrophobicContact CG-CD1 3.9Å; Q457-L465 HydrophobicContact CG-CG 4.42Å; V458-L465 PolarHBondContact N-O 3.31Å
466	F	82.2	Confident	80.2	Confident	5 Å²	5	39 Å²	39	2%	0.022	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	7.7	174.5	-63	-70.7	0	0	0	112.3	D282 V441 C455 A464 I469 L470 I480 I484	D282-F466 PolarHBondContact OD1-N 3.07Å; V441-F466 HydrophobicContact CB-CZ 4.41Å; V441-F466 HydrophobicContact CG1-CE1 3.84Å; V441-F466 HydrophobicContact CG1-CZ 3.78Å; V441-F466 HydrophobicContact CG2-CE2 4.46Å; V441-F466 HydrophobicContact CG2-CZ 3.86Å; C455-F466 VanDerWaalsContact SG-CE1 3.5Å; A464-F466 VanDerWaalsContact C-N 3.3Å; A464-F466 PolarHBondContact O-N 3.09Å; F466-I469 HydrophobicContact CB-CG2 4.08Å; F466-I469 WeakPolarHBondContact O-CG2 3.31Å; F466-L470 HydrophobicContact CB-CD1 4.01Å; F466-L470 HydrophobicContact CB-CG 4.17Å; F466-L470 HydrophobicContact CD2-CD1 4.01Å; F466-L470 HydrophobicContact CG-CD1 4.47Å; F466-I480 HydrophobicContact CB-CD1 4.22Å; F466-I480 HydrophobicContact CD1-CD1 4.09Å; F466-I480 HydrophobicContact CD2-CD1 4.3Å; F466-I480 HydrophobicContact CD2-CG2 3.68Å; F466-I480 HydrophobicContact CE1-CD1 4.5Å; F466-I480 HydrophobicContact CE2-CG2 3.44Å; F466-I480 VanDerWaalsContact CE2-CG2 3.44Å; F466-I480 HydrophobicContact CG-CD1 3.95Å; F466-I480 HydrophobicContact CG-CG2 4.4Å; F466-I480 HydrophobicContact CZ-CG1 4.47Å; F466-I480 HydrophobicContact CZ-CG2 4.01Å; F466-I484 HydrophobicContact CE2-CD1 4.25Å; F466-I484 HydrophobicContact CE2-CG1 4.4Å; F466-I484 HydrophobicContact CZ-CD1 4.49Å
467	G	82.2	Confident	80.5	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	64.3	-154	-176.6	0	0	0	0	0	113.3	A464 I469 H732	A464-G467 WeakPolarHBondContact CB-O 3.4Å; A464-G467 WeakPolarHBondContact O-CA 3.38Å; A464-G467 PolarHBondContact O-N 3.49Å; G467-I469 PolarHBondContact O-N 3.43Å; G467-H732 WeakPolarHBondContact CA-ND1 3.41Å
468	N	84.8	Confident	81.1	Confident	20 Å²	20	36.5 Å²	36.5	11%	0.107	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-83.1	2.7	-170.9	-53.8	-5.5	0	0	0	113.9	W279 L470 L471 F730 Y731 H732	W279-N468 HydrophobicContact CH2-CB 4Å; W279-N468 WeakPolarHBondContact CH2-OD1 3.33Å; W279-N468 HydrophobicContact CZ3-CB 3.59Å; W279-N468 WeakPolarHBondContact CZ3-OD1 3.15Å; N468-L470 PolarHBondContact O-N 3.28Å; N468-L471 HydrophobicContact CB-CD1 4.18Å; N468-L471 WeakPolarHBondContact O-CB 3.32Å; N468-L471 PolarHBondContact O-N 3.06Å; N468-L471 VanDerWaalsContact O-N 3.17Å; N468-F730 VanDerWaalsContact CB-O 3.27Å; N468-F730 WeakPolarHBondContact CB-O 3.14Å; N468-F730 VanDerWaalsContact CG-O 3.25Å; N468-F730 PolarHBondContact ND2-O 3.35Å; N468-Y731 HydrophobicContact CB-CD1 4.21Å; N468-H732 PolarHBondContact N-ND1 2.78Å; N468-H732 PolarHBondContact OD1-CE1 3.44Å
469	I	87.2	Confident	82.1	Confident	4 Å²	4	35.1 Å²	35.1	2%	0.021	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-59.7	-33.2	176.5	-161.6	170.8	0	0	0	111.8	W453 F466 G467 L471 K472 I474 Q476 T477 I480 F724	W453-I469 HydrophobicContact CD2-CD1 4.38Å; W453-I469 HydrophobicContact CG-CD1 4.44Å; W453-I469 HydrophobicContact CZ2-CD1 4.24Å; F466-I469 HydrophobicContact CB-CG2 4.08Å; F466-I469 WeakPolarHBondContact O-CG2 3.31Å; G467-I469 PolarHBondContact O-N 3.43Å; I469-L471 PolarHBondContact O-N 3.32Å; I469-L471 VanDerWaalsContact O-N 3.15Å; I469-K472 WeakPolarHBondContact O-CB 3.13Å; I469-K472 PolarHBondContact O-N 3.37Å; I469-I474 HydrophobicContact CD1-CD1 4.13Å; I469-I474 HydrophobicContact CG1-CD1 3.78Å; I469-Q476 HydrophobicContact CD1-CB 4.23Å; I469-T477 PolarHBondContact O-OG1 3.08Å; I469-I480 HydrophobicContact CG2-CD1 4.38Å; I469-F724 HydrophobicContact CD1-CE1 4Å
470	L	88.4	Confident	83.3	Confident	9 Å²	9	27.6 Å²	27.6	5%	0.047	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-70.5	-8.6	-179.4	-64.7	178.6	0	0	0	114.2	L281 D282 F466 N468 T477 I480 Y481	L281-L470 HydrophobicContact CD2-CD1 3.85Å; D282-L470 HydrophobicContact CB-CD1 3.67Å; D282-L470 WeakPolarHBondContact OD1-CD1 3.28Å; F466-L470 HydrophobicContact CB-CD1 4.01Å; F466-L470 HydrophobicContact CB-CG 4.17Å; F466-L470 HydrophobicContact CD2-CD1 4.01Å; F466-L470 HydrophobicContact CG-CD1 4.47Å; N468-L470 PolarHBondContact O-N 3.28Å; L470-T477 HydrophobicContact CD2-CG2 3.83Å; L470-I480 HydrophobicContact CD1-CG2 4.45Å; L470-I480 HydrophobicContact CD2-CB 3.95Å; L470-I480 HydrophobicContact CD2-CD1 3.57Å; L470-I480 HydrophobicContact CD2-CG1 4.39Å; L470-I480 HydrophobicContact CD2-CG2 3.83Å; L470-I480 HydrophobicContact CG-CD1 4.45Å; L470-Y481 HydrophobicContact CD2-CD2 4.16Å; L470-Y481 HydrophobicContact CD2-CE2 3.96Å
471	L	85.5	Confident	84.7	Confident	45 Å²	45	24.1 Å²	24.1	24%	0.236	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-72.8	-20.4	168.6	-62	-177.3	0	0	0	112.1	W279 N468 I469	W279-L471 HydrophobicContact CE3-CD1 4.34Å; W279-L471 HydrophobicContact CE3-CD2 3.95Å; W279-L471 HydrophobicContact CE3-CG 4.06Å; W279-L471 HydrophobicContact CH2-CD1 3.76Å; W279-L471 HydrophobicContact CH2-CG 4.37Å; W279-L471 HydrophobicContact CZ3-CD1 3.43Å; W279-L471 VanDerWaalsContact CZ3-CD1 3.43Å; W279-L471 HydrophobicContact CZ3-CD2 3.87Å; W279-L471 HydrophobicContact CZ3-CG 3.56Å; N468-L471 HydrophobicContact CB-CD1 4.18Å; N468-L471 WeakPolarHBondContact O-CB 3.32Å; N468-L471 PolarHBondContact O-N 3.06Å; N468-L471 VanDerWaalsContact O-N 3.17Å; I469-L471 PolarHBondContact O-N 3.32Å; I469-L471 VanDerWaalsContact O-N 3.15Å
472	K	89.4	Confident	86.5	Confident	39 Å²	39	17.5 Å²	17.5	17%	0.17	9%	0.088	C	C	.	.	S	Bend	trans	-93.3	141.9	-173.8	-66.6	-68.5	-171.9	173	0	112	I469 I474 T477 E717 Y731	I469-K472 WeakPolarHBondContact O-CB 3.13Å; I469-K472 PolarHBondContact O-N 3.37Å; K472-I474 HydrophobicContact CB-CD1 4.17Å; K472-I474 HydrophobicContact CB-CG1 4.02Å; K472-I474 HydrophobicContact CB-CG2 3.98Å; K472-I474 PolarHBondContact O-N 2.01Å; K472-T477 VanDerWaalsContact O-CB 3.32Å; K472-T477 WeakPolarHBondContact O-CB 3.36Å; K472-T477 WeakPolarHBondContact O-CG2 3.48Å; K472-T477 PolarHBondContact O-OG1 3.45Å; K472-E717 VanDerWaalsContact CD-OE1 3.31Å; K472-E717 WeakPolarHBondContact CD-OE1 3.06Å; K472-E717 WeakPolarHBondContact CD-OE2 3.35Å; K472-E717 IonicContact NZ-OE1 2.94Å; K472-E717 PolarHBondContact NZ-OE1 3.01Å; K472-E717 IonicContact NZ-OE2 2.94Å; K472-Y731 HydrophobicContact CD-CE1 4.21Å; K472-Y731 VanDerWaalsContact CE-CZ 3.41Å; K472-Y731 WeakPolarHBondContact CE-OH 3.39Å; K472-Y731 HydrophobicContact CG-CD1 4.25Å; K472-Y731 HydrophobicContact CG-CE1 3.79Å
473	G	92.5	Very high	88.4	Confident	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.051	C	C	.	.			trans	-82	38.8	-178.6	0	0	0	0	0	114.2	Y715 Y716 E717	G473-Y715 WeakPolarHBondContact O-CB 3.23Å; G473-Y716 PolarHBondContact O-N 3.17Å; G473-E717 PolarHBondContact N-OE2 3.1Å; G473-E717 PolarHBondContact O-N 2.73Å
474	I	94.9	Very high	90.3	Very high	2 Å²	2	8.2 Å²	8.2	1%	0.01	4%	0.043	C	C	.	.	S	Bend	trans	-102.8	165.8	-165.2	62.8	174.5	0	0	0	111.8	I469 K472 Q476 T477 A478 E717 I719 F724	I469-I474 HydrophobicContact CD1-CD1 4.13Å; I469-I474 HydrophobicContact CG1-CD1 3.78Å; K472-I474 HydrophobicContact CB-CD1 4.17Å; K472-I474 HydrophobicContact CB-CG1 4.02Å; K472-I474 HydrophobicContact CB-CG2 3.98Å; K472-I474 PolarHBondContact O-N 2.01Å; I474-Q476 VanDerWaalsContact C-N 3.28Å; I474-Q476 HydrophobicContact CD1-CB 4.25Å; I474-Q476 VanDerWaalsContact CD1-OE1 3.3Å; I474-Q476 HydrophobicContact CG1-CB 4.35Å; I474-Q476 PolarHBondContact O-N 3.15Å; I474-T477 WeakPolarHBondContact O-CB 3.32Å; I474-T477 PolarHBondContact O-N 3.19Å; I474-T477 VanDerWaalsContact O-N 3.16Å; I474-A478 PolarHBondContact O-N 2.75Å; I474-E717 HydrophobicContact CG2-CB 4.06Å; I474-E717 HydrophobicContact CG2-CG 4.2Å; I474-I719 HydrophobicContact CB-CG2 4.26Å; I474-I719 HydrophobicContact CD1-CD1 4.21Å; I474-I719 HydrophobicContact CG2-CB 3.99Å; I474-I719 HydrophobicContact CG2-CD1 4.5Å; I474-I719 HydrophobicContact CG2-CG2 4.07Å; I474-F724 HydrophobicContact CD1-CZ 4.14Å
475	P	95.4	Very high	91.8	Very high	13 Å²	13	7.8 Å²	7.8	8%	0.084	4%	0.039	C	C	.	.	H	α-helix	trans	-56.4	-38.7	-178	-29.3	39.3	0	0	0	114.2	T477 A478 F479 Y602 L606 Y715	P475-T477 VanDerWaalsContact C-N 3.32Å; P475-T477 PolarHBondContact O-N 2.89Å; P475-A478 WeakPolarHBondContact O-CB 3.48Å; P475-A478 PolarHBondContact O-N 2.67Å; P475-A478 VanDerWaalsContact O-N 3.11Å; P475-F479 PolarHBondContact O-N 3.15Å; P475-Y602 HydrophobicContact CB-CD2 4.33Å; P475-Y602 HydrophobicContact CB-CE2 3.51Å; P475-Y602 WeakPolarHBondContact O-CE2 3.5Å; P475-L606 HydrophobicContact CB-CD1 4.08Å; P475-L606 HydrophobicContact CB-CD2 3.56Å; P475-L606 HydrophobicContact CB-CG 4.44Å; P475-L606 HydrophobicContact CG-CD2 3.59Å; P475-Y715 HydrophobicContact CG-CD1 4.29Å; P475-Y715 HydrophobicContact CG-CD2 4.06Å; P475-Y715 HydrophobicContact CG-CE2 4.41Å; P475-Y715 HydrophobicContact CG-CG 3.99Å
476	Q	94.6	Very high	92.8	Very high	15 Å²	15	7.6 Å²	7.6	7%	0.07	4%	0.038	C	C	.	.	H	α-helix	trans	-61.1	-42.8	-179.4	-64.5	75.3	10.2	0	0	110.8	W453 I469 I474 A478 F479 I480 Y602 F724	W453-Q476 HydrophobicContact CB-CG 4.45Å; W453-Q476 HydrophobicContact CD2-CB 4.07Å; W453-Q476 HydrophobicContact CD2-CG 3.69Å; W453-Q476 HydrophobicContact CE3-CB 3.71Å; W453-Q476 HydrophobicContact CE3-CG 3.32Å; W453-Q476 HydrophobicContact CG-CG 4.2Å; W453-Q476 HydrophobicContact CH2-CB 4.02Å; W453-Q476 HydrophobicContact CZ2-CB 4.36Å; W453-Q476 HydrophobicContact CZ3-CB 3.68Å; W453-Q476 HydrophobicContact CZ3-CG 3.8Å; I469-Q476 HydrophobicContact CD1-CB 4.23Å; I474-Q476 VanDerWaalsContact C-N 3.28Å; I474-Q476 HydrophobicContact CD1-CB 4.25Å; I474-Q476 VanDerWaalsContact CD1-OE1 3.3Å; I474-Q476 HydrophobicContact CG1-CB 4.35Å; I474-Q476 PolarHBondContact O-N 3.15Å; Q476-A478 VanDerWaalsContact C-N 3.35Å; Q476-A478 PolarHBondContact O-N 2.91Å; Q476-F479 PolarHBondContact O-N 2.85Å; Q476-I480 WeakPolarHBondContact O-CG1 3.44Å; Q476-I480 PolarHBondContact O-N 3.49Å; Q476-Y602 PolarHBondContact NE2-OH 3.09Å; Q476-F724 HydrophobicContact CG-CZ 4.1Å
477	T	94.5	Very high	93.5	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-61	-43.8	173.4	-56.4	0	0	0	0	111.1	I469 L470 K472 I474 P475 F479 I480 Y481 M550	I469-T477 PolarHBondContact O-OG1 3.08Å; L470-T477 HydrophobicContact CD2-CG2 3.83Å; K472-T477 VanDerWaalsContact O-CB 3.32Å; K472-T477 WeakPolarHBondContact O-CB 3.36Å; K472-T477 WeakPolarHBondContact O-CG2 3.48Å; K472-T477 PolarHBondContact O-OG1 3.45Å; I474-T477 WeakPolarHBondContact O-CB 3.32Å; I474-T477 PolarHBondContact O-N 3.19Å; I474-T477 VanDerWaalsContact O-N 3.16Å; P475-T477 VanDerWaalsContact C-N 3.32Å; P475-T477 PolarHBondContact O-N 2.89Å; T477-F479 VanDerWaalsContact C-N 3.29Å; T477-F479 PolarHBondContact O-N 3.02Å; T477-I480 PolarHBondContact O-N 3.35Å; T477-Y481 HydrophobicContact CG2-CD2 3.6Å; T477-Y481 HydrophobicContact CG2-CE2 3.61Å; T477-Y481 VanDerWaalsContact O-CD2 3.29Å; T477-Y481 WeakPolarHBondContact O-CD2 3.31Å; T477-Y481 PolarHBondContact O-N 3.47Å; T477-M550 HydrophobicContact CG2-CE 4.08Å
478	A	96.4	Very high	94.2	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-58.8	-41.1	177.9	0	0	0	0	0	112.4	I474 P475 Q476 S482 N554 L713 V714	I474-A478 PolarHBondContact O-N 2.75Å; P475-A478 WeakPolarHBondContact O-CB 3.48Å; P475-A478 PolarHBondContact O-N 2.67Å; P475-A478 VanDerWaalsContact O-N 3.11Å; Q476-A478 VanDerWaalsContact C-N 3.35Å; Q476-A478 PolarHBondContact O-N 2.91Å; A478-S482 WeakPolarHBondContact O-CB 3.32Å; A478-S482 PolarHBondContact O-N 3.28Å; A478-S482 PolarHBondContact O-OG 3.48Å; A478-N554 WeakPolarHBondContact CA-ND2 3.23Å; A478-N554 WeakPolarHBondContact CB-ND2 3.3Å; A478-L713 HydrophobicContact CB-CB 4.43Å; A478-L713 HydrophobicContact CB-CD2 4.46Å; A478-V714 WeakPolarHBondContact CB-O 3.31Å
479	F	97.6	Very high	94.8	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-63.7	-50	174.7	-171.1	-81.3	0	0	0	111.8	C444 Q447 F448 P475 Q476 T477 Y481 S482 I483 L598 K599 Y602	C444-F479 HydrophobicContact CB-CE1 4.13Å; Q447-F479 HydrophobicContact CB-CZ 4.23Å; Q447-F479 HydrophobicContact CG-CZ 4.3Å; F448-F479 HydrophobicContact CD2-CD1 4.36Å; F448-F479 HydrophobicContact CD2-CE1 4.22Å; F448-F479 HydrophobicContact CD2-CZ 4.45Å; F448-F479 HydrophobicContact CE2-CB 4.3Å; F448-F479 AromaticContact CE2-CD1 3.52Å; F448-F479 HydrophobicContact CE2-CD1 3.52Å; F448-F479 AromaticContact CE2-CD2 3.68Å; F448-F479 HydrophobicContact CE2-CD2 3.68Å; F448-F479 AromaticContact CE2-CE1 3.64Å; F448-F479 HydrophobicContact CE2-CE1 3.64Å; F448-F479 AromaticContact CE2-CE2 3.77Å; F448-F479 HydrophobicContact CE2-CE2 3.77Å; F448-F479 AromaticContact CE2-CG 3.55Å; F448-F479 HydrophobicContact CE2-CG 3.55Å; F448-F479 AromaticContact CE2-CZ 3.76Å; F448-F479 HydrophobicContact CE2-CZ 3.76Å; F448-F479 HydrophobicContact CZ-CB 4.29Å; F448-F479 HydrophobicContact CZ-CD1 4.33Å; F448-F479 AromaticContact CZ-CD2 3.95Å; F448-F479 HydrophobicContact CZ-CD2 3.95Å; F448-F479 HydrophobicContact CZ-CE2 4.35Å; F448-F479 AromaticContact CZ-CG 3.93Å; F448-F479 HydrophobicContact CZ-CG 3.93Å; P475-F479 PolarHBondContact O-N 3.15Å; Q476-F479 PolarHBondContact O-N 2.85Å; T477-F479 VanDerWaalsContact C-N 3.29Å; T477-F479 PolarHBondContact O-N 3.02Å; F479-Y481 PolarHBondContact O-N 2.91Å; F479-S482 PolarHBondContact O-N 2.81Å; F479-S482 VanDerWaalsContact O-N 3.11Å; F479-I483 HydrophobicContact CD1-CB 4.28Å; F479-I483 HydrophobicContact CD1-CG2 4.04Å; F479-I483 HydrophobicContact CE1-CB 3.92Å; F479-I483 HydrophobicContact CE1-CG1 4.25Å; F479-I483 HydrophobicContact CE1-CG2 3.94Å; F479-I483 WeakPolarHBondContact O-CG2 3.15Å; F479-I483 PolarHBondContact O-N 3.1Å; F479-L598 HydrophobicContact CD1-CD2 4.37Å; F479-L598 HydrophobicContact CD2-CD2 3.98Å; F479-L598 HydrophobicContact CD2-CG 3.74Å; F479-L598 HydrophobicContact CE1-CD2 4.18Å; F479-L598 HydrophobicContact CE2-CB 3.98Å; F479-L598 HydrophobicContact CE2-CD2 3.79Å; F479-L598 HydrophobicContact CE2-CG 3.54Å; F479-L598 HydrophobicContact CG-CD2 4.28Å; F479-L598 HydrophobicContact CG-CG 4.47Å; F479-L598 HydrophobicContact CZ-CB 4.41Å; F479-L598 HydrophobicContact CZ-CD2 3.88Å; F479-L598 HydrophobicContact CZ-CG 4.11Å; F479-K599 HydrophobicContact CE2-CB 4.32Å; F479-Y602 HydrophobicContact CB-CD2 4Å; F479-Y602 HydrophobicContact CB-CE2 4.41Å; F479-Y602 HydrophobicContact CD2-CD2 4.17Å; F479-Y602 HydrophobicContact CD2-CG 4.3Å
480	I	96.4	Very high	95.3	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-57.6	-49.8	-178.9	-67.5	164.8	0	0	0	111.1	L281 W453 F466 I469 L470 Q476 T477 S482 I483 I484	L281-I480 HydrophobicContact CD2-CG2 4.11Å; W453-I480 HydrophobicContact CH2-CD1 3.6Å; W453-I480 HydrophobicContact CH2-CG1 3.77Å; W453-I480 HydrophobicContact CZ2-CD1 3.7Å; W453-I480 HydrophobicContact CZ2-CG1 4.36Å; F466-I480 HydrophobicContact CB-CD1 4.22Å; F466-I480 HydrophobicContact CD1-CD1 4.09Å; F466-I480 HydrophobicContact CD2-CD1 4.3Å; F466-I480 HydrophobicContact CD2-CG2 3.68Å; F466-I480 HydrophobicContact CE1-CD1 4.5Å; F466-I480 HydrophobicContact CE2-CG2 3.44Å; F466-I480 VanDerWaalsContact CE2-CG2 3.44Å; F466-I480 HydrophobicContact CG-CD1 3.95Å; F466-I480 HydrophobicContact CG-CG2 4.4Å; F466-I480 HydrophobicContact CZ-CG1 4.47Å; F466-I480 HydrophobicContact CZ-CG2 4.01Å; I469-I480 HydrophobicContact CG2-CD1 4.38Å; L470-I480 HydrophobicContact CD1-CG2 4.45Å; L470-I480 HydrophobicContact CD2-CB 3.95Å; L470-I480 HydrophobicContact CD2-CD1 3.57Å; L470-I480 HydrophobicContact CD2-CG1 4.39Å; L470-I480 HydrophobicContact CD2-CG2 3.83Å; L470-I480 HydrophobicContact CG-CD1 4.45Å; Q476-I480 WeakPolarHBondContact O-CG1 3.44Å; Q476-I480 PolarHBondContact O-N 3.49Å; T477-I480 PolarHBondContact O-N 3.35Å; I480-S482 PolarHBondContact O-N 2.93Å; I480-I483 WeakPolarHBondContact O-CG2 3.48Å; I480-I483 PolarHBondContact O-N 3.03Å; I480-I484 HydrophobicContact CG2-CG1 4.09Å; I480-I484 WeakPolarHBondContact O-CB 3.36Å; I480-I484 VanDerWaalsContact O-CG1 3.22Å; I480-I484 WeakPolarHBondContact O-CG1 3.25Å; I480-I484 PolarHBondContact O-N 3.21Å
481	Y	96.8	Very high	95.6	Very high	5 Å²	5	6.4 Å²	6.4	2%	0.02	3%	0.032	C	C	.	.	H	α-helix	trans	-56.2	-42.2	178.5	-90.3	-102.7	0	0	0	110.9	W280 L281 L470 T477 F479 N485 E541 N551 N555	W280-Y481 HydrophobicContact CH2-CE1 4.19Å; W280-Y481 HydrophobicContact CZ2-CE1 4.43Å; L281-Y481 HydrophobicContact CB-CE1 4.02Å; L281-Y481 HydrophobicContact CB-CE2 4.5Å; L281-Y481 HydrophobicContact CD1-CD1 3.51Å; L281-Y481 HydrophobicContact CD1-CD2 4.28Å; L281-Y481 HydrophobicContact CD1-CE1 3.5Å; L281-Y481 HydrophobicContact CD1-CE2 4.34Å; L281-Y481 HydrophobicContact CD1-CG 3.88Å; L281-Y481 HydrophobicContact CD2-CE2 4.4Å; L281-Y481 HydrophobicContact CG-CE1 4.28Å; L470-Y481 HydrophobicContact CD2-CD2 4.16Å; L470-Y481 HydrophobicContact CD2-CE2 3.96Å; T477-Y481 HydrophobicContact CG2-CD2 3.6Å; T477-Y481 HydrophobicContact CG2-CE2 3.61Å; T477-Y481 VanDerWaalsContact O-CD2 3.29Å; T477-Y481 WeakPolarHBondContact O-CD2 3.31Å; T477-Y481 PolarHBondContact O-N 3.47Å; F479-Y481 PolarHBondContact O-N 2.91Å; Y481-N485 PolarHBondContact O-N 3.28Å; Y481-N485 PolarHBondContact O-ND2 2.84Å; Y481-E541 WeakPolarHBondContact CE1-OE1 3.46Å; Y481-E541 PolarHBondContact OH-OE1 3.5Å; Y481-N551 HydrophobicContact CD1-CB 3.74Å; Y481-N551 HydrophobicContact CE1-CB 3.48Å; Y481-N551 VanDerWaalsContact CE1-CB 3.48Å; Y481-N551 PolarHBondContact OH-ND2 3.26Å; Y481-N555 WeakPolarHBondContact CD1-OD1 3.22Å
482	S	98.1	Very high	96	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-71	-48.4	-179.3	-57.1	0	0	0	0	113	A478 F479 I480 I484 N485 A486 N554 G558 L713	A478-S482 WeakPolarHBondContact O-CB 3.32Å; A478-S482 PolarHBondContact O-N 3.28Å; A478-S482 PolarHBondContact O-OG 3.48Å; F479-S482 PolarHBondContact O-N 2.81Å; F479-S482 VanDerWaalsContact O-N 3.11Å; I480-S482 PolarHBondContact O-N 2.93Å; S482-I484 PolarHBondContact O-N 3.4Å; S482-N485 PolarHBondContact O-N 3.35Å; S482-A486 WeakPolarHBondContact O-CB 3.03Å; S482-A486 PolarHBondContact O-N 2.77Å; S482-N554 PolarHBondContact OG-O 2.81Å; S482-G558 VanDerWaalsContact O-CA 3.23Å; S482-G558 WeakPolarHBondContact O-CA 3.39Å; S482-L713 WeakPolarHBondContact OG-CD2 3.44Å
483	I	98	Very high	96.3	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-67.7	-37.6	-176.5	-164.5	62	0	0	0	111.8	A440 E443 C444 F479 I480 A486 G487 M591 L598	A440-I483 HydrophobicContact CB-CG1 4.01Å; A440-I483 WeakPolarHBondContact CB-O 3.45Å; E443-I483 HydrophobicContact CG-CD1 4.5Å; C444-I483 HydrophobicContact CB-CG2 4.34Å; F479-I483 HydrophobicContact CD1-CB 4.28Å; F479-I483 HydrophobicContact CD1-CG2 4.04Å; F479-I483 HydrophobicContact CE1-CB 3.92Å; F479-I483 HydrophobicContact CE1-CG1 4.25Å; F479-I483 HydrophobicContact CE1-CG2 3.94Å; F479-I483 WeakPolarHBondContact O-CG2 3.15Å; F479-I483 PolarHBondContact O-N 3.1Å; I480-I483 WeakPolarHBondContact O-CG2 3.48Å; I480-I483 PolarHBondContact O-N 3.03Å; I483-A486 PolarHBondContact O-N 2.98Å; I483-G487 PolarHBondContact O-N 3.04Å; I483-M591 HydrophobicContact CD1-SD 3.81Å; I483-M591 HydrophobicContact CG1-SD 4.45Å; I483-L598 HydrophobicContact CB-CD2 3.61Å; I483-L598 HydrophobicContact CD1-CD2 3.93Å; I483-L598 HydrophobicContact CG1-CD2 4.3Å
484	I	96.8	Very high	96.2	Very high	2 Å²	2	5.5 Å²	5.5	1%	0.01	3%	0.027	C	C	.	.	H	α-helix	trans	-65.4	-43.2	176.6	-66.5	-69.9	0	0	0	110.8	V437 A440 V441 F466 I480 S482 A486 G487 I488 L537	V437-I484 HydrophobicContact CG1-CD1 4.07Å; V437-I484 HydrophobicContact CG2-CG2 4.36Å; A440-I484 HydrophobicContact CB-CD1 4.04Å; V441-I484 HydrophobicContact CG2-CD1 3.89Å; F466-I484 HydrophobicContact CE2-CD1 4.25Å; F466-I484 HydrophobicContact CE2-CG1 4.4Å; F466-I484 HydrophobicContact CZ-CD1 4.49Å; I480-I484 HydrophobicContact CG2-CG1 4.09Å; I480-I484 WeakPolarHBondContact O-CB 3.36Å; I480-I484 VanDerWaalsContact O-CG1 3.22Å; I480-I484 WeakPolarHBondContact O-CG1 3.25Å; I480-I484 PolarHBondContact O-N 3.21Å; S482-I484 PolarHBondContact O-N 3.4Å; I484-A486 VanDerWaalsContact C-N 3.34Å; I484-A486 PolarHBondContact O-N 3.3Å; I484-G487 PolarHBondContact O-N 3.47Å; I484-I488 HydrophobicContact CG2-CD1 4.09Å; I484-I488 WeakPolarHBondContact O-CG1 3.49Å; I484-I488 PolarHBondContact O-N 3.05Å; I484-L537 HydrophobicContact CG2-CD1 4.4Å
485	N	97.9	Very high	96	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-62.6	-43	174	-86	-100.7	0	0	0	111.5	Y481 S482 G487 I488 V489 S533 L537 N555 R559	Y481-N485 PolarHBondContact O-N 3.28Å; Y481-N485 PolarHBondContact O-ND2 2.84Å; S482-N485 PolarHBondContact O-N 3.35Å; N485-G487 VanDerWaalsContact C-N 3.34Å; N485-I488 PolarHBondContact O-N 2.74Å; N485-V489 WeakPolarHBondContact O-CG2 3.08Å; N485-V489 PolarHBondContact O-N 3.43Å; N485-S533 PolarHBondContact OD1-OG 3.41Å; N485-L537 HydrophobicContact CB-CD1 4.45Å; N485-L537 VanDerWaalsContact CG-CD1 3.42Å; N485-L537 WeakPolarHBondContact ND2-CD1 3.2Å; N485-L537 WeakPolarHBondContact OD1-CD1 3.33Å; N485-N555 VanDerWaalsContact ND2-CG 3.33Å; N485-N555 PolarHBondContact ND2-OD1 3.19Å; N485-R559 HydrophobicContact CB-CG 4.22Å; N485-R559 PolarHBondContact OD1-NH1 2.91Å
486	A	98.5	Very high	95.7	Very high	0 Å²	0	5 Å²	5	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-60.8	-44.9	177.8	0	0	0	0	0	111.1	S482 I483 I484 V489 Q490 V562 L594	S482-A486 WeakPolarHBondContact O-CB 3.03Å; S482-A486 PolarHBondContact O-N 2.77Å; I483-A486 PolarHBondContact O-N 2.98Å; I484-A486 VanDerWaalsContact C-N 3.34Å; I484-A486 PolarHBondContact O-N 3.3Å; A486-V489 PolarHBondContact O-N 3.06Å; A486-Q490 VanDerWaalsContact O-CB 3.27Å; A486-Q490 WeakPolarHBondContact O-CB 3.08Å; A486-Q490 PolarHBondContact O-N 3.48Å; A486-V562 HydrophobicContact CB-CG2 3.71Å; A486-V562 WeakPolarHBondContact O-CG2 3.48Å; A486-L594 HydrophobicContact CB-CD1 4.33Å
487	G	97.9	Very high	95.1	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-59.5	-48.3	176.4	0	0	0	0	0	114	G436 I483 I484 N485 V489 Q490 S491	G436-G487 VanDerWaalsContact CA-O 3.28Å; G436-G487 WeakPolarHBondContact CA-O 3.34Å; G436-G487 WeakPolarHBondContact O-CA 3.31Å; I483-G487 PolarHBondContact O-N 3.04Å; I484-G487 PolarHBondContact O-N 3.47Å; N485-G487 VanDerWaalsContact C-N 3.34Å; G487-V489 PolarHBondContact O-N 3.37Å; G487-Q490 PolarHBondContact O-N 2.85Å; G487-S491 PolarHBondContact O-N 2.78Å; G487-S491 PolarHBondContact O-OG 3.29Å; G487-S491 VanDerWaalsContact O-OG 3.06Å
488	I	96.5	Very high	94.1	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-63.1	-43.3	177.9	-66.4	171.4	0	0	0	111.1	L288 V437 I484 N485 S491 V492 F532 L536 L537	L288-I488 HydrophobicContact CD1-CD1 4.36Å; V437-I488 HydrophobicContact CG2-CD1 3.97Å; V437-I488 HydrophobicContact CG2-CG1 3.83Å; I484-I488 HydrophobicContact CG2-CD1 4.09Å; I484-I488 WeakPolarHBondContact O-CG1 3.49Å; I484-I488 PolarHBondContact O-N 3.05Å; N485-I488 PolarHBondContact O-N 2.74Å; I488-S491 PolarHBondContact O-OG 3.42Å; I488-V492 HydrophobicContact CG2-CG2 4.21Å; I488-V492 VanDerWaalsContact O-CB 3.22Å; I488-V492 WeakPolarHBondContact O-CB 3.34Å; I488-V492 WeakPolarHBondContact O-CG2 3.27Å; I488-V492 PolarHBondContact O-N 3.49Å; I488-V492 VanDerWaalsContact O-N 3.07Å; I488-F532 HydrophobicContact CG2-CD1 3.77Å; I488-F532 HydrophobicContact CG2-CE1 3.74Å; I488-L536 HydrophobicContact CD1-CD2 4Å; I488-L537 HydrophobicContact CD1-CD1 3.95Å
489	V	97.6	Very high	93	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-64.2	-43.9	176.9	173	0	0	0	0	111.1	N485 A486 G487 A493 I526 R559 V562	N485-V489 WeakPolarHBondContact O-CG2 3.08Å; N485-V489 PolarHBondContact O-N 3.43Å; A486-V489 PolarHBondContact O-N 3.06Å; G487-V489 PolarHBondContact O-N 3.37Å; V489-A493 WeakPolarHBondContact O-CB 3.42Å; V489-A493 PolarHBondContact O-N 2.58Å; V489-A493 VanDerWaalsContact O-N 3.08Å; V489-I526 HydrophobicContact CG1-CD1 4.09Å; V489-I526 HydrophobicContact CG1-CG1 3.72Å; V489-R559 HydrophobicContact CG2-CB 4.35Å; V489-R559 HydrophobicContact CG2-CG 3.77Å; V489-V562 HydrophobicContact CB-CG2 4.27Å; V489-V562 HydrophobicContact CG1-CB 4.06Å; V489-V562 HydrophobicContact CG1-CG1 4.1Å; V489-V562 HydrophobicContact CG1-CG2 4.3Å
490	Q	96.8	Very high	92.1	Very high	10 Å²	10	19.8 Å²	19.8	5%	0.047	10%	0.099	C	C	.	.	H	α-helix	trans	-60.2	-52.8	-178.4	-174.5	-153.4	-31.4	0	0	111.2	A486 G487 E494 V562 T588 P589 L594	A486-Q490 VanDerWaalsContact O-CB 3.27Å; A486-Q490 WeakPolarHBondContact O-CB 3.08Å; A486-Q490 PolarHBondContact O-N 3.48Å; G487-Q490 PolarHBondContact O-N 2.85Å; Q490-E494 WeakPolarHBondContact O-CB 3.49Å; Q490-E494 PolarHBondContact O-N 3.12Å; Q490-E494 VanDerWaalsContact O-N 3.15Å; Q490-V562 HydrophobicContact CB-CG1 4.44Å; Q490-T588 PolarHBondContact O-OG1 3.3Å; Q490-P589 VanDerWaalsContact CD-O 3.31Å; Q490-P589 WeakPolarHBondContact CG-O 3.42Å; Q490-P589 PolarHBondContact NE2-O 3.09Å; Q490-L594 HydrophobicContact CB-CD1 4.3Å; Q490-L594 HydrophobicContact CG-CD1 4.37Å
491	S	95.4	Very high	91	Very high	4 Å²	4	21.6 Å²	21.6	3%	0.028	11%	0.109	C	C	.	.	H	α-helix	trans	-73.5	-40.1	-173.8	63.2	0	0	0	0	112.8	A432 G436 G487 I488 A493 E494 A495	A432-S491 WeakPolarHBondContact O-CB 3.35Å; A432-S491 PolarHBondContact O-OG 2.94Å; G436-S491 VanDerWaalsContact CA-CB 3.48Å; G436-S491 WeakPolarHBondContact CA-OG 3.36Å; G436-S491 PolarHBondContact N-OG 3.41Å; G487-S491 PolarHBondContact O-N 2.78Å; G487-S491 PolarHBondContact O-OG 3.29Å; G487-S491 VanDerWaalsContact O-OG 3.06Å; I488-S491 PolarHBondContact O-OG 3.42Å; S491-A493 VanDerWaalsContact C-N 3.34Å; S491-A493 PolarHBondContact O-N 3.1Å; S491-E494 PolarHBondContact O-N 3.39Å; S491-A495 VanDerWaalsContact O-CB 3.31Å; S491-A495 WeakPolarHBondContact O-CB 3.49Å; S491-A495 PolarHBondContact O-N 3.46Å
492	V	94.4	Very high	90.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66	-39.9	177.2	172.2	0	0	0	0	110.6	L429 A432 I488 E494 A495 C496 I500 Y528 F532	L429-V492 HydrophobicContact CD1-CG1 3.78Å; L429-V492 HydrophobicContact CD1-CG2 4.22Å; A432-V492 HydrophobicContact CB-CG2 4.05Å; I488-V492 HydrophobicContact CG2-CG2 4.21Å; I488-V492 VanDerWaalsContact O-CB 3.22Å; I488-V492 WeakPolarHBondContact O-CB 3.34Å; I488-V492 WeakPolarHBondContact O-CG2 3.27Å; I488-V492 PolarHBondContact O-N 3.49Å; I488-V492 VanDerWaalsContact O-N 3.07Å; V492-E494 VanDerWaalsContact C-N 3.32Å; V492-E494 PolarHBondContact O-N 3.06Å; V492-A495 PolarHBondContact O-N 2.75Å; V492-C496 PolarHBondContact O-N 3.17Å; V492-C496 VanDerWaalsContact O-N 3.17Å; V492-C496 PolarHBondContact O-SG 3.28Å; V492-I500 HydrophobicContact CG1-CD1 4.08Å; V492-Y528 HydrophobicContact CG1-CD1 3.71Å; V492-Y528 HydrophobicContact CG1-CE1 3.83Å; V492-F532 HydrophobicContact CB-CD1 4.47Å; V492-F532 HydrophobicContact CG1-CB 4.43Å; V492-F532 HydrophobicContact CG1-CD1 4.28Å; V492-F532 HydrophobicContact CG1-CG 4.48Å; V492-F532 HydrophobicContact CG2-CD1 3.79Å; V492-F532 HydrophobicContact CG2-CE1 3.94Å
493	A	94.6	Very high	89.4	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-66.1	-34	176.7	0	0	0	0	0	113.1	V489 S491 H524 N525 I526 T588	V489-A493 WeakPolarHBondContact O-CB 3.42Å; V489-A493 PolarHBondContact O-N 2.58Å; V489-A493 VanDerWaalsContact O-N 3.08Å; S491-A493 VanDerWaalsContact C-N 3.34Å; S491-A493 PolarHBondContact O-N 3.1Å; A493-H524 HydrophobicContact CB-CB 4.2Å; A493-H524 WeakPolarHBondContact O-CA 3.07Å; A493-H524 WeakPolarHBondContact O-CB 3.27Å; A493-N525 WeakPolarHBondContact CB-O 3.37Å; A493-N525 PolarHBondContact O-N 3.24Å; A493-N525 VanDerWaalsContact O-N 3.09Å; A493-I526 HydrophobicContact CB-CB 4.47Å; A493-T588 HydrophobicContact CB-CG2 3.78Å
494	E	91.5	Very high	88.6	Confident	64 Å²	64	31.6 Å²	31.6	30%	0.299	17%	0.168	S	C	.	.	H	α-helix	trans	-69.9	-42	173.4	-179	-175.6	159.4	0	0	111.5	R439 Q490 S491 V492 C496 L497	R439-E494 IonicContact CZ-OE2 3.09Å; R439-E494 IonicContact NH1-OE1 3.86Å; R439-E494 IonicContact NH1-OE2 3.82Å; R439-E494 PolarHBondContact NH1-OE2 3.06Å; R439-E494 IonicContact NH2-OE1 2.84Å; R439-E494 IonicContact NH2-OE2 3.88Å; Q490-E494 WeakPolarHBondContact O-CB 3.49Å; Q490-E494 PolarHBondContact O-N 3.12Å; Q490-E494 VanDerWaalsContact O-N 3.15Å; S491-E494 PolarHBondContact O-N 3.39Å; V492-E494 VanDerWaalsContact C-N 3.32Å; V492-E494 PolarHBondContact O-N 3.06Å; E494-C496 VanDerWaalsContact C-N 3.26Å; E494-C496 PolarHBondContact O-N 2.96Å; E494-L497 VanDerWaalsContact O-CG 3.25Å; E494-L497 WeakPolarHBondContact O-CG 3.36Å; E494-L497 PolarHBondContact O-N 3.45Å
495	A	90.3	Very high	87.9	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.008	19%	0.186	C	C	.	.	H	α-helix	trans	-68.7	-22	-179.8	0	0	0	0	0	113.6	A432 S491 V492 L497 Q499 I500	A432-A495 HydrophobicContact CB-CB 3.44Å; A432-A495 VanDerWaalsContact CB-CB 3.44Å; S491-A495 VanDerWaalsContact O-CB 3.31Å; S491-A495 WeakPolarHBondContact O-CB 3.49Å; S491-A495 PolarHBondContact O-N 3.46Å; V492-A495 PolarHBondContact O-N 2.75Å; A495-L497 PolarHBondContact O-N 3.1Å; A495-L497 VanDerWaalsContact O-N 3.09Å; A495-Q499 HydrophobicContact CB-CB 4.18Å; A495-Q499 WeakPolarHBondContact O-CA 3.38Å; A495-Q499 VanDerWaalsContact O-CB 3.27Å; A495-Q499 WeakPolarHBondContact O-CB 3.42Å; A495-Q499 PolarHBondContact O-N 2.92Å; A495-I500 HydrophobicContact CB-CD1 3.47Å; A495-I500 VanDerWaalsContact CB-CD1 3.47Å; A495-I500 HydrophobicContact CB-CG1 3.82Å; A495-I500 PolarHBondContact O-N 3Å
496	C	88.5	Confident	87.1	Confident	4 Å²	4	35.3 Å²	35.3	3%	0.027	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-9.7	173.3	-70.9	0	0	0	0	114.9	V492 E494 C503 N525	V492-C496 PolarHBondContact O-N 3.17Å; V492-C496 VanDerWaalsContact O-N 3.17Å; V492-C496 PolarHBondContact O-SG 3.28Å; E494-C496 VanDerWaalsContact C-N 3.26Å; E494-C496 PolarHBondContact O-N 2.96Å; C496-C503 HydrophobicContact CB-CB 3.73Å; C496-C503 WeakPolarHBondContact CB-SG 2.99Å; C496-C503 WeakPolarHBondContact SG-CB 3.24Å; C496-C503 CovalentContact SG-SG 2.01Å; C496-C503 PolarHBondContact SG-SG 2.8Å; C496-N525 HydrophobicContact CB-CB 3.83Å
497	L	82.3	Confident	86.2	Confident	55 Å²	55	38 Å²	38	29%	0.288	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-46.7	178.4	-64.9	178.9	0	0	0	112	E494 A495 C522	E494-L497 VanDerWaalsContact O-CG 3.25Å; E494-L497 WeakPolarHBondContact O-CG 3.36Å; E494-L497 PolarHBondContact O-N 3.45Å; A495-L497 PolarHBondContact O-N 3.1Å; A495-L497 VanDerWaalsContact O-N 3.09Å; L497-C522 HydrophobicContact CD2-CB 3.67Å; L497-C522 WeakPolarHBondContact CD2-O 3.3Å; L497-C522 WeakPolarHBondContact CD2-SG 3.4Å
498	N	73.4	Confident	85	Confident	136 Å²	136	47.8 Å²	47.8	73%	0.727	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-156.1	3.7	-175.4	-76.7	-39.4	0	0	0	114.4
499	Q	74.1	Confident	83.8	Confident	124 Å²	124	50.8 Å²	50.8	58%	0.579	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	-35.7	-172.1	-58.6	171.9	-9	0	0	112.5	A428 A495	A428-Q499 WeakPolarHBondContact CB-O 3.43Å; A495-Q499 HydrophobicContact CB-CB 4.18Å; A495-Q499 WeakPolarHBondContact O-CA 3.38Å; A495-Q499 VanDerWaalsContact O-CB 3.27Å; A495-Q499 WeakPolarHBondContact O-CB 3.42Å; A495-Q499 PolarHBondContact O-N 2.92Å
500	I	78.5	Confident	82.6	Confident	10 Å²	10	53.9 Å²	53.9	5%	0.051	29%	0.286	C	S	.	.	S	Bend	trans	-102.3	121.1	-173	-59.4	170.1	0	0	0	111.1	A428 L429 A432 V492 A495 C503	A428-I500 HydrophobicContact CB-CG1 4.32Å; L429-I500 HydrophobicContact CB-CG2 4.21Å; L429-I500 HydrophobicContact CD1-CD1 3.9Å; L429-I500 HydrophobicContact CD1-CG2 4.48Å; A432-I500 HydrophobicContact CB-CD1 3.91Å; V492-I500 HydrophobicContact CG1-CD1 4.08Å; A495-I500 HydrophobicContact CB-CD1 3.47Å; A495-I500 VanDerWaalsContact CB-CD1 3.47Å; A495-I500 HydrophobicContact CB-CG1 3.82Å; A495-I500 PolarHBondContact O-N 3Å; I500-C503 HydrophobicContact CB-CB 3.96Å; I500-C503 HydrophobicContact CG2-CB 3.82Å; I500-C503 PolarHBondContact O-N 3.42Å
501	D	74.1	Confident	81.4	Confident	39 Å²	39	60.3 Å²	60.3	21%	0.209	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	142.5	172.8	-63.8	-32.5	0	0	0	111.9	P305 I306 C503	P305-D501 VanDerWaalsContact CG-OD2 3.24Å; P305-D501 WeakPolarHBondContact CG-OD2 3.26Å; I306-D501 WeakPolarHBondContact CD1-OD2 3.49Å; I306-D501 VanDerWaalsContact CG1-OD2 3.26Å; I306-D501 WeakPolarHBondContact CG1-OD2 3.38Å; D501-C503 PolarHBondContact O-N 2.88Å; D501-C503 VanDerWaalsContact O-N 3.12Å
502	N	77.1	Confident	80.1	Confident	120 Å²	120	68.4 Å²	68.4	64%	0.642	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	19.5	-177.2	-57.8	-30.5	0	0	0	114.5	P504	N502-P504 WeakPolarHBondContact O-CD 3.38Å
503	C	82.8	Confident	78.6	Confident	8 Å²	8	71 Å²	71	5%	0.054	37%	0.37	C	S	.	.			trans	-107.1	90.6	165.4	-165.3	0	0	0	0	110.4	C496 I500 D501 Y528	C496-C503 HydrophobicContact CB-CB 3.73Å; C496-C503 WeakPolarHBondContact CB-SG 2.99Å; C496-C503 WeakPolarHBondContact SG-CB 3.24Å; C496-C503 CovalentContact SG-SG 2.01Å; C496-C503 PolarHBondContact SG-SG 2.8Å; I500-C503 HydrophobicContact CB-CB 3.96Å; I500-C503 HydrophobicContact CG2-CB 3.82Å; I500-C503 PolarHBondContact O-N 3.42Å; D501-C503 PolarHBondContact O-N 2.88Å; D501-C503 VanDerWaalsContact O-N 3.12Å; C503-Y528 HydrophobicContact CB-CD1 4.34Å; C503-Y528 HydrophobicContact CB-CD2 4.16Å; C503-Y528 HydrophobicContact CB-CE1 4.2Å; C503-Y528 HydrophobicContact CB-CE2 3.98Å; C503-Y528 HydrophobicContact CB-CG 4.33Å; C503-Y528 VanDerWaalsContact SG-CB 3.58Å; C503-Y528 WeakPolarHBondContact SG-CD1 3.34Å; C503-Y528 WeakPolarHBondContact SG-CD2 2.99Å
504	P	82.3	Confident	77.3	Confident	87 Å²	87	80.7 Å²	80.7	57%	0.565	41%	0.412	S	S	*	.			trans	-68.6	159.6	177.3	29.8	-35.1	0	0	0	110.6	N502 N525	N502-P504 WeakPolarHBondContact O-CD 3.38Å; P504-N525 PolarHBondContact O-ND2 2.99Å
505	C	82.4	Confident	76.1	Confident	58 Å²	58	80.9 Å²	80.9	39%	0.392	42%	0.421	S	S	.	.			trans	-57.7	155.6	164.5	74.5	0	0	0	0	112.1	C522	C505-C522 HydrophobicContact CB-CB 4.35Å; C505-C522 WeakPolarHBondContact CB-SG 3.38Å
506	N	79.7	Confident	75.1	Confident	21 Å²	21	87.7 Å²	87.7	11%	0.112	46%	0.457	C	S	.	.			trans	-125.2	88.4	174.9	-179.8	44.5	0	0	0	111.9	R508 D523 N525 H527	N506-R508 PolarHBondContact O-N 2.96Å; N506-R508 VanDerWaalsContact OD1-CB 3.31Å; N506-R508 WeakPolarHBondContact OD1-CB 3.28Å; N506-R508 WeakPolarHBondContact OD1-CD 3.28Å; N506-R508 VanDerWaalsContact OD1-CG 3.24Å; N506-R508 WeakPolarHBondContact OD1-CG 3.43Å; N506-R508 PolarHBondContact OD1-N 2.99Å; N506-D523 PolarHBondContact N-O 2.86Å; N506-D523 WeakPolarHBondContact O-CB 3.48Å; N506-N525 HydrophobicContact CB-CB 4.15Å; N506-H527 PolarHBondContact ND2-CD2 3.48Å
507	N	80.8	Confident	74.3	Confident	57 Å²	57	89 Å²	89	31%	0.305	46%	0.462	S	S	.	.			trans	-85.6	13.6	176.9	-62.1	-18.1	0	0	0	113.4	R510 D523	N507-R510 WeakPolarHBondContact O-CG 3.24Å; N507-R510 PolarHBondContact OD1-NH2 3.03Å; N507-D523 PolarHBondContact OD1-N 3.14Å; N507-D523 VanDerWaalsContact OD1-N 3.09Å
508	R	72.8	Confident	73.8	Confident	205 Å²	205	92.5 Å²	92.5	77%	0.774	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	136.9	-178.7	-66.7	178.6	179.2	162.5	0.8	111	N506	N506-R508 PolarHBondContact O-N 2.96Å; N506-R508 VanDerWaalsContact OD1-CB 3.31Å; N506-R508 WeakPolarHBondContact OD1-CB 3.28Å; N506-R508 WeakPolarHBondContact OD1-CD 3.28Å; N506-R508 VanDerWaalsContact OD1-CG 3.24Å; N506-R508 WeakPolarHBondContact OD1-CG 3.43Å; N506-R508 PolarHBondContact OD1-N 2.99Å
509	G	69.5	Low	74	Confident	63 Å²	63	88.6 Å²	88.6	65%	0.649	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	23.7	176.9	0	0	0	0	0	114.4	Q511	G509-Q511 PolarHBondContact O-N 3.2Å
510	R	73.9	Confident	74	Confident	66 Å²	66	87.8 Å²	87.8	25%	0.249	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-66.7	124.8	162.5	-72.1	173.6	175.8	-171.6	-1.7	108.1	N507 W519 G521 D523	N507-R510 WeakPolarHBondContact O-CG 3.24Å; N507-R510 PolarHBondContact OD1-NH2 3.03Å; R510-W519 HydrophobicContact CB-CD2 4.33Å; R510-W519 HydrophobicContact CB-CG 4.15Å; R510-W519 HydrophobicContact CG-CB 4.48Å; R510-W519 HydrophobicContact CG-CD2 3.96Å; R510-W519 HydrophobicContact CG-CE3 4.35Å; R510-W519 HydrophobicContact CG-CG 4.02Å; R510-G521 PolarHBondContact NH2-O 3.45Å; R510-D523 IonicContact CZ-OD1 3.87Å; R510-D523 IonicContact CZ-OD2 3.39Å; R510-D523 IonicContact NE-OD1 3.79Å; R510-D523 IonicContact NE-OD2 3.92Å; R510-D523 PolarHBondContact NE-OD2 3.33Å; R510-D523 IonicContact NH2-OD1 3.64Å; R510-D523 PolarHBondContact NH2-OD1 3.26Å; R510-D523 IonicContact NH2-OD2 3.51Å
511	Q	70.1	Confident	73.9	Confident	145 Å²	145	89.5 Å²	89.5	68%	0.678	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-74.8	146.7	168.4	-68	173.9	-13.3	0	0	108.4	G509 W519	G509-Q511 PolarHBondContact O-N 3.2Å; Q511-W519 VanDerWaalsContact O-CD1 3.24Å; Q511-W519 PolarHBondContact O-NE1 3.41Å
512	E	70	Confident	74.3	Confident	173 Å²	173	89.5 Å²	89.5	81%	0.808	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-60	134.5	170	-71	-168	162.6	0	0	109.6	F514	E512-F514 PolarHBondContact O-N 3.31Å
513	P	63.1	Low	74.9	Confident	54 Å²	54	84 Å²	84	35%	0.351	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-68.1	124.1	-179.1	27.4	-31.7	0	0	0	110	S515 W517	P513-S515 PolarHBondContact O-N 3.31Å; P513-W517 HydrophobicContact CB-CD2 4.41Å; P513-W517 HydrophobicContact CB-CH2 4.37Å; P513-W517 HydrophobicContact CB-CZ2 4.26Å; P513-W517 HydrophobicContact CB-CZ3 4.5Å; P513-W517 WeakPolarHBondContact CB-O 3.23Å; P513-W517 WeakPolarHBondContact CG-O 3.47Å
514	F	66.5	Low	75.4	Confident	204 Å²	204	84.2 Å²	84.2	90%	0.895	44%	0.441	S	S	*	.	S	Bend	trans	-77.2	6.7	173.2	-64.4	-79.6	0	0	0	113.8	E512	E512-F514 PolarHBondContact O-N 3.31Å
515	S	65.7	Low	75.9	Confident	69 Å²	69	80.8 Å²	80.8	48%	0.483	42%	0.418	S	S	.	.	S	Bend	trans	-152.5	170.8	-165.1	170.7	0	0	0	0	111.1	P513 W517	P513-S515 PolarHBondContact O-N 3.31Å; S515-W517 PolarHBondContact O-N 3.07Å
516	D	69.8	Low	76.4	Confident	143 Å²	143	78.6 Å²	78.6	77%	0.765	40%	0.402	S	S	*	.	S	Bend	trans	-59.7	7.6	-174.4	-53.8	-28.8	0	0	0	117.1
517	W	71.5	Confident	77	Confident	33 Å²	33	82.2 Å²	82.2	13%	0.125	42%	0.418	C	S	.	.			trans	-108.5	148.1	178.4	65.1	-85.3	0	0	0	111	P513 S515 W519 R582 C584	P513-W517 HydrophobicContact CB-CD2 4.41Å; P513-W517 HydrophobicContact CB-CH2 4.37Å; P513-W517 HydrophobicContact CB-CZ2 4.26Å; P513-W517 HydrophobicContact CB-CZ3 4.5Å; P513-W517 WeakPolarHBondContact CB-O 3.23Å; P513-W517 WeakPolarHBondContact CG-O 3.47Å; S515-W517 PolarHBondContact O-N 3.07Å; W517-W519 HydrophobicContact CH2-CD2 4.16Å; W517-W519 AromaticContact CH2-CE2 3.53Å; W517-W519 HydrophobicContact CH2-CH2 4.28Å; W517-W519 AromaticContact CH2-CZ2 3.61Å; W517-W519 HydrophobicContact CH2-CZ2 3.61Å; W517-W519 AromaticContact CH2-NE1 3.66Å; W517-W519 AromaticContact CZ3-CD2 3.71Å; W517-W519 HydrophobicContact CZ3-CD2 3.71Å; W517-W519 AromaticContact CZ3-CE2 3.59Å; W517-W519 HydrophobicContact CZ3-CE3 4.2Å; W517-W519 HydrophobicContact CZ3-CG 4.02Å; W517-W519 HydrophobicContact CZ3-CH2 4.43Å; W517-W519 AromaticContact CZ3-CZ2 3.99Å; W517-W519 HydrophobicContact CZ3-CZ2 3.99Å; W517-W519 AromaticContact CZ3-NE1 3.79Å; W517-R582 HydrophobicContact CB-CG 3.66Å; W517-C584 HydrophobicContact CE3-CB 3.9Å; W517-C584 HydrophobicContact CZ3-CB 3.93Å
518	Q	72.6	Confident	77.6	Confident	128 Å²	128	81.1 Å²	81.1	60%	0.598	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.9	143.2	-176.8	-64.7	178.2	-10.6	0	0	111.2	Q520 C584	Q518-Q520 PolarHBondContact O-N 3.04Å; Q518-C584 PolarHBondContact O-N 3.05Å
519	W	76.2	Confident	78.6	Confident	53 Å²	53	71.3 Å²	71.3	20%	0.201	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	120.4	169	-72.7	107.2	0	0	0	109.5	R510 Q511 W517 R568 C584 R586	R510-W519 HydrophobicContact CB-CD2 4.33Å; R510-W519 HydrophobicContact CB-CG 4.15Å; R510-W519 HydrophobicContact CG-CB 4.48Å; R510-W519 HydrophobicContact CG-CD2 3.96Å; R510-W519 HydrophobicContact CG-CE3 4.35Å; R510-W519 HydrophobicContact CG-CG 4.02Å; Q511-W519 VanDerWaalsContact O-CD1 3.24Å; Q511-W519 PolarHBondContact O-NE1 3.41Å; W517-W519 HydrophobicContact CH2-CD2 4.16Å; W517-W519 AromaticContact CH2-CE2 3.53Å; W517-W519 HydrophobicContact CH2-CH2 4.28Å; W517-W519 AromaticContact CH2-CZ2 3.61Å; W517-W519 HydrophobicContact CH2-CZ2 3.61Å; W517-W519 AromaticContact CH2-NE1 3.66Å; W517-W519 AromaticContact CZ3-CD2 3.71Å; W517-W519 HydrophobicContact CZ3-CD2 3.71Å; W517-W519 AromaticContact CZ3-CE2 3.59Å; W517-W519 HydrophobicContact CZ3-CE3 4.2Å; W517-W519 HydrophobicContact CZ3-CG 4.02Å; W517-W519 HydrophobicContact CZ3-CH2 4.43Å; W517-W519 AromaticContact CZ3-CZ2 3.99Å; W517-W519 HydrophobicContact CZ3-CZ2 3.99Å; W517-W519 AromaticContact CZ3-NE1 3.79Å; W519-R568 HydrophobicContact CH2-CG 4.05Å; W519-R568 HydrophobicContact CZ3-CG 4.17Å; W519-C584 HydrophobicContact CE3-CB 4.34Å; W519-C584 HydrophobicContact CZ3-CB 4.37Å; W519-R586 HydrophobicContact CH2-CG 3.97Å; W519-R586 HydrophobicContact CZ3-CG 3.79Å
520	Q	74.6	Confident	79.8	Confident	108 Å²	108	71.5 Å²	71.5	51%	0.505	36%	0.356	S	S	.	.			trans	-151.3	153.6	177.4	-172.8	165.1	27.7	0	0	110.9	Q518 T583 C584	Q518-Q520 PolarHBondContact O-N 3.04Å; Q520-T583 HydrophobicContact CB-CG2 3.5Å; Q520-T583 VanDerWaalsContact CB-CG2 3.5Å; Q520-T583 HydrophobicContact CG-CG2 4.14Å; Q520-T583 VanDerWaalsContact O-CG2 3.31Å; Q520-T583 WeakPolarHBondContact O-CG2 3.27Å; Q520-C584 PolarHBondContact N-O 3.44Å
521	G	76.8	Confident	80.7	Confident	45 Å²	45	75.7 Å²	75.7	46%	0.464	37%	0.372	S	S	.	.	S	Bend	trans	87.6	-160.1	-168.8	0	0	0	0	0	112.9	R510	R510-G521 PolarHBondContact NH2-O 3.45Å
522	C	83.2	Confident	81.8	Confident	40 Å²	40	68.8 Å²	68.8	27%	0.27	34%	0.34	S	S	.	.			trans	-122.4	116.6	-159.7	-176.9	0	0	0	0	109.4	L497 C505	L497-C522 HydrophobicContact CD2-CB 3.67Å; L497-C522 WeakPolarHBondContact CD2-O 3.3Å; L497-C522 WeakPolarHBondContact CD2-SG 3.4Å; C505-C522 HydrophobicContact CB-CB 4.35Å; C505-C522 WeakPolarHBondContact CB-SG 3.38Å
523	D	89.5	Confident	82.9	Confident	3 Å²	3	60.6 Å²	60.6	2%	0.016	30%	0.301	C	S	.	.			trans	-77.9	139.6	178.7	-64	-9.5	0	0	0	110.1	N506 N507 R510 N525 Y585 R586	N506-D523 PolarHBondContact N-O 2.86Å; N506-D523 WeakPolarHBondContact O-CB 3.48Å; N507-D523 PolarHBondContact OD1-N 3.14Å; N507-D523 VanDerWaalsContact OD1-N 3.09Å; R510-D523 IonicContact CZ-OD1 3.87Å; R510-D523 IonicContact CZ-OD2 3.39Å; R510-D523 IonicContact NE-OD1 3.79Å; R510-D523 IonicContact NE-OD2 3.92Å; R510-D523 PolarHBondContact NE-OD2 3.33Å; R510-D523 IonicContact NH2-OD1 3.64Å; R510-D523 PolarHBondContact NH2-OD1 3.26Å; R510-D523 IonicContact NH2-OD2 3.51Å; D523-N525 PolarHBondContact O-N 2.88Å; D523-Y585 WeakPolarHBondContact OD1-CA 3.36Å; D523-R586 CarbonylContact C-O 3.46Å; D523-R586 VanDerWaalsContact CA-O 3.27Å; D523-R586 WeakPolarHBondContact CA-O 3.45Å; D523-R586 HydrophobicContact CB-CB 4.04Å; D523-R586 PolarHBondContact OD1-N 2.87Å
524	H	92.2	Very high	84.4	Confident	14 Å²	14	64.2 Å²	64.2	7%	0.065	31%	0.308	C	S	.	.			trans	-58.5	131.6	177	-70.8	-165.1	0	0	0	110.4	A493 I526 M566 R586 T588	A493-H524 HydrophobicContact CB-CB 4.2Å; A493-H524 WeakPolarHBondContact O-CA 3.07Å; A493-H524 WeakPolarHBondContact O-CB 3.27Å; H524-I526 VanDerWaalsContact C-N 3.32Å; H524-I526 PolarHBondContact O-N 3.25Å; H524-M566 HydrophobicContact CB-CE 4.26Å; H524-R586 PolarHBondContact N-O 3.44Å; H524-T588 HydrophobicContact CB-CG2 3.99Å; H524-T588 PolarHBondContact ND1-N 3.46Å; H524-T588 PolarHBondContact ND1-OG1 3.15Å
525	N	93.3	Very high	85.4	Confident	15 Å²	15	57.7 Å²	57.7	8%	0.08	28%	0.277	C	S	.	.			trans	-82.1	77	-175.2	-169	-15	0	0	0	112.2	A493 C496 P504 N506 D523 H527 Y528 G529	A493-N525 WeakPolarHBondContact CB-O 3.37Å; A493-N525 PolarHBondContact O-N 3.24Å; A493-N525 VanDerWaalsContact O-N 3.09Å; C496-N525 HydrophobicContact CB-CB 3.83Å; P504-N525 PolarHBondContact O-ND2 2.99Å; N506-N525 HydrophobicContact CB-CB 4.15Å; D523-N525 PolarHBondContact O-N 2.88Å; N525-H527 VanDerWaalsContact C-N 3.26Å; N525-H527 PolarHBondContact O-N 3.15Å; N525-H527 PolarHBondContact OD1-N 3.21Å; N525-Y528 VanDerWaalsContact CG-CB 3.45Å; N525-Y528 PolarHBondContact O-N 2.86Å; N525-Y528 WeakPolarHBondContact OD1-CB 3.35Å; N525-Y528 PolarHBondContact OD1-N 3.33Å; N525-G529 PolarHBondContact O-N 3.42Å; N525-G529 VanDerWaalsContact O-N 3.13Å
526	I	93.5	Very high	86.4	Confident	11 Å²	11	54.4 Å²	54.4	6%	0.056	25%	0.254	C	S	.	.	H	α-helix	trans	-66.1	-26.6	-177.9	-164.8	149.2	0	0	0	114	V489 A493 H524 K530 V562 I563 M566 T588	V489-I526 HydrophobicContact CG1-CD1 4.09Å; V489-I526 HydrophobicContact CG1-CG1 3.72Å; A493-I526 HydrophobicContact CB-CB 4.47Å; H524-I526 VanDerWaalsContact C-N 3.32Å; H524-I526 PolarHBondContact O-N 3.25Å; I526-K530 VanDerWaalsContact O-CB 3.23Å; I526-K530 WeakPolarHBondContact O-CB 3.39Å; I526-K530 PolarHBondContact O-N 3.32Å; I526-V562 HydrophobicContact CD1-CB 3.9Å; I526-V562 HydrophobicContact CD1-CG1 3.49Å; I526-V562 VanDerWaalsContact CD1-CG1 3.49Å; I526-I563 HydrophobicContact CD1-CB 4.25Å; I526-I563 HydrophobicContact CD1-CG1 3.67Å; I526-I563 HydrophobicContact CG1-CG1 3.73Å; I526-M566 HydrophobicContact CB-SD 4.24Å; I526-M566 HydrophobicContact CD1-CG 3.93Å; I526-M566 HydrophobicContact CD1-SD 3.43Å; I526-M566 WeakPolarHBondContact CD1-SD 3.36Å; I526-M566 HydrophobicContact CG1-SD 4.45Å; I526-T588 HydrophobicContact CD1-CG2 4.33Å
527	H	92.6	Very high	87.4	Confident	97 Å²	97	47.6 Å²	47.6	45%	0.449	22%	0.218	S	C	.	.	H	α-helix	trans	-70.1	-38.4	177.1	-65	-40.3	0	0	0	111.8	N506 N525 R531	N506-H527 PolarHBondContact ND2-CD2 3.48Å; N525-H527 VanDerWaalsContact C-N 3.26Å; N525-H527 PolarHBondContact O-N 3.15Å; N525-H527 PolarHBondContact OD1-N 3.21Å; H527-R531 VanDerWaalsContact O-CB 3.32Å; H527-R531 WeakPolarHBondContact O-CB 3.41Å; H527-R531 PolarHBondContact O-N 2.92Å
528	Y	92.7	Very high	88.3	Confident	34 Å²	34	47.2 Å²	47.2	13%	0.133	22%	0.218	C	C	.	.	H	α-helix	trans	-63.9	-50.8	172.3	-173.8	-82.5	0	0	0	110.6	L429 V492 C503 N525 K530 R531 F532	L429-Y528 HydrophobicContact CD1-CE1 3.91Å; V492-Y528 HydrophobicContact CG1-CD1 3.71Å; V492-Y528 HydrophobicContact CG1-CE1 3.83Å; C503-Y528 HydrophobicContact CB-CD1 4.34Å; C503-Y528 HydrophobicContact CB-CD2 4.16Å; C503-Y528 HydrophobicContact CB-CE1 4.2Å; C503-Y528 HydrophobicContact CB-CE2 3.98Å; C503-Y528 HydrophobicContact CB-CG 4.33Å; C503-Y528 VanDerWaalsContact SG-CB 3.58Å; C503-Y528 WeakPolarHBondContact SG-CD1 3.34Å; C503-Y528 WeakPolarHBondContact SG-CD2 2.99Å; N525-Y528 VanDerWaalsContact CG-CB 3.45Å; N525-Y528 PolarHBondContact O-N 2.86Å; N525-Y528 WeakPolarHBondContact OD1-CB 3.35Å; N525-Y528 PolarHBondContact OD1-N 3.33Å; Y528-K530 PolarHBondContact O-N 3.49Å; Y528-R531 PolarHBondContact O-N 3.47Å; Y528-R531 VanDerWaalsContact O-N 3.08Å; Y528-F532 WeakPolarHBondContact O-CB 3.36Å; Y528-F532 PolarHBondContact O-N 3.09Å
529	G	94	Very high	88.9	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-54.7	-46.7	175.7	0	0	0	0	0	112.9	N525 R531 F532 S533	N525-G529 PolarHBondContact O-N 3.42Å; N525-G529 VanDerWaalsContact O-N 3.13Å; G529-R531 PolarHBondContact O-N 3.26Å; G529-F532 PolarHBondContact O-N 3.29Å; G529-S533 WeakPolarHBondContact O-CB 3.45Å; G529-S533 PolarHBondContact O-N 3.15Å
530	K	95.1	Very high	88.9	Confident	67 Å²	67	41 Å²	41	29%	0.291	20%	0.195	S	C	.	.	H	α-helix	trans	-58.6	-46.1	174.8	-175.5	-166.9	-168.7	166.4	0	112	I526 Y528 R534 I563	I526-K530 VanDerWaalsContact O-CB 3.23Å; I526-K530 WeakPolarHBondContact O-CB 3.39Å; I526-K530 PolarHBondContact O-N 3.32Å; Y528-K530 PolarHBondContact O-N 3.49Å; K530-R534 VanDerWaalsContact O-CG 3.3Å; K530-R534 WeakPolarHBondContact O-CG 3.4Å; K530-R534 PolarHBondContact O-N 2.84Å; K530-I563 HydrophobicContact CB-CD1 4.41Å; K530-I563 HydrophobicContact CD-CD1 3.58Å; K530-I563 HydrophobicContact CG-CD1 4.07Å
531	R	92.9	Very high	89.5	Confident	153 Å²	153	36.3 Å²	36.3	58%	0.577	17%	0.172	S	C	*	.	H	α-helix	trans	-67.2	-40.6	-178.8	-170.8	-170.2	-58.8	173.6	2.8	111.2	H527 Y528 G529 R535	H527-R531 VanDerWaalsContact O-CB 3.32Å; H527-R531 WeakPolarHBondContact O-CB 3.41Å; H527-R531 PolarHBondContact O-N 2.92Å; Y528-R531 PolarHBondContact O-N 3.47Å; Y528-R531 VanDerWaalsContact O-N 3.08Å; G529-R531 PolarHBondContact O-N 3.26Å; R531-R535 WeakPolarHBondContact O-CG 3.5Å; R531-R535 PolarHBondContact O-N 2.89Å; R531-R535 PolarHBondContact O-NE 3.02Å
532	F	91.9	Very high	89.7	Confident	1 Å²	1	40.9 Å²	40.9	0%	0.004	18%	0.176	C	C	.	.	H	α-helix	trans	-63.1	-53.2	175.1	175	-102.7	0	0	0	110.8	F407 L429 A433 I488 V492 Y528 G529 R534 R535 L536	F407-F532 HydrophobicContact CD1-CE2 4.41Å; F407-F532 HydrophobicContact CD1-CZ 4.23Å; F407-F532 HydrophobicContact CE1-CE2 4.31Å; F407-F532 AromaticContact CE1-CZ 3.71Å; F407-F532 HydrophobicContact CE1-CZ 3.71Å; F407-F532 HydrophobicContact CZ-CZ 4.3Å; L429-F532 HydrophobicContact CD1-CD1 4.31Å; L429-F532 HydrophobicContact CD1-CD2 3.88Å; L429-F532 HydrophobicContact CD1-CE1 4.31Å; L429-F532 HydrophobicContact CD1-CE2 3.89Å; L429-F532 HydrophobicContact CD1-CG 4.08Å; L429-F532 HydrophobicContact CD1-CZ 4.1Å; L429-F532 HydrophobicContact CD2-CD2 3.78Å; L429-F532 HydrophobicContact CD2-CE2 3.58Å; L429-F532 HydrophobicContact CD2-CZ 4.4Å; L429-F532 HydrophobicContact CG-CD2 4.07Å; L429-F532 HydrophobicContact CG-CE2 3.67Å; L429-F532 HydrophobicContact CG-CZ 4Å; A433-F532 HydrophobicContact CB-CE1 3.95Å; A433-F532 HydrophobicContact CB-CZ 4.28Å; I488-F532 HydrophobicContact CG2-CD1 3.77Å; I488-F532 HydrophobicContact CG2-CE1 3.74Å; V492-F532 HydrophobicContact CB-CD1 4.47Å; V492-F532 HydrophobicContact CG1-CB 4.43Å; V492-F532 HydrophobicContact CG1-CD1 4.28Å; V492-F532 HydrophobicContact CG1-CG 4.48Å; V492-F532 HydrophobicContact CG2-CD1 3.79Å; V492-F532 HydrophobicContact CG2-CE1 3.94Å; Y528-F532 WeakPolarHBondContact O-CB 3.36Å; Y528-F532 PolarHBondContact O-N 3.09Å; G529-F532 PolarHBondContact O-N 3.29Å; F532-R534 VanDerWaalsContact C-N 3.31Å; F532-R534 PolarHBondContact O-N 3.23Å; F532-R535 WeakPolarHBondContact O-CB 3.27Å; F532-R535 PolarHBondContact O-N 3.43Å; F532-L536 HydrophobicContact CE1-CD2 3.99Å; F532-L536 HydrophobicContact CZ-CD2 4.11Å; F532-L536 WeakPolarHBondContact O-CB 3.38Å; F532-L536 PolarHBondContact O-N 2.96Å
533	S	94.3	Very high	89.7	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-55.1	-41.6	176.8	161.5	0	0	0	0	113	N485 G529 L536 L537 R559	N485-S533 PolarHBondContact OD1-OG 3.41Å; G529-S533 WeakPolarHBondContact O-CB 3.45Å; G529-S533 PolarHBondContact O-N 3.15Å; S533-L536 PolarHBondContact O-N 3.49Å; S533-L537 PolarHBondContact O-N 3.2Å; S533-R559 WeakPolarHBondContact OG-CD 3.43Å
534	R	93	Very high	89.2	Confident	130 Å²	130	45.6 Å²	45.6	49%	0.491	22%	0.217	S	C	.	.	I	π-helix	trans	-64.3	-45.5	174.6	-74.1	176.9	67.3	93	-0.7	112.6	K530 F532 L536 D538	K530-R534 VanDerWaalsContact O-CG 3.3Å; K530-R534 WeakPolarHBondContact O-CG 3.4Å; K530-R534 PolarHBondContact O-N 2.84Å; F532-R534 VanDerWaalsContact C-N 3.31Å; F532-R534 PolarHBondContact O-N 3.23Å; R534-L536 VanDerWaalsContact C-N 3.27Å; R534-L536 PolarHBondContact O-N 3.35Å; R534-D538 WeakPolarHBondContact CG-OD2 3.23Å; R534-D538 IonicContact CZ-OD2 3.71Å; R534-D538 IonicContact NE-OD2 3.76Å; R534-D538 IonicContact NH1-OD2 3.79Å; R534-D538 VanDerWaalsContact O-CB 3.23Å; R534-D538 WeakPolarHBondContact O-CB 3.21Å; R534-D538 PolarHBondContact O-N 2.85Å
535	R	89	Confident	89.1	Confident	67 Å²	67	49.5 Å²	49.5	25%	0.253	24%	0.235	S	C	.	.	I	π-helix	trans	-58.3	-47.9	175.8	-78.7	-176.6	-84.3	174.1	-4.3	108.6	Q406 D410 R531 F532 T539	Q406-R535 VanDerWaalsContact CD-O 3.24Å; Q406-R535 HydrophobicContact CG-CB 4.17Å; Q406-R535 VanDerWaalsContact NE2-C 3.26Å; Q406-R535 PolarHBondContact NE2-O 3.22Å; Q406-R535 PolarHBondContact OE1-O 3.11Å; Q406-R535 VanDerWaalsContact OE1-O 3.05Å; D410-R535 IonicContact OD2-NH1 2.75Å; D410-R535 PolarHBondContact OD2-NH1 3.02Å; R531-R535 WeakPolarHBondContact O-CG 3.5Å; R531-R535 PolarHBondContact O-N 2.89Å; R531-R535 PolarHBondContact O-NE 3.02Å; F532-R535 WeakPolarHBondContact O-CB 3.27Å; F532-R535 PolarHBondContact O-N 3.43Å; R535-T539 VanDerWaalsContact O-CB 3.31Å; R535-T539 WeakPolarHBondContact O-CB 3.44Å; R535-T539 WeakPolarHBondContact O-CG2 3.23Å; R535-T539 PolarHBondContact O-OG1 3.11Å
536	L	86.6	Confident	89	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.237	C	C	.	.	I	π-helix	trans	-62.4	-65.8	-176.9	-169.3	64	0	0	0	110.3	I284 L288 F407 I488 F532 S533 R534 T539 M540	I284-L536 HydrophobicContact CD1-CD1 3.66Å; I284-L536 HydrophobicContact CD1-CG 4.19Å; I284-L536 HydrophobicContact CG2-CD1 4.38Å; I284-L536 HydrophobicContact CG2-CD2 4.18Å; I284-L536 HydrophobicContact CG2-CG 4.36Å; L288-L536 HydrophobicContact CD1-CD2 4.44Å; F407-L536 HydrophobicContact CE2-CD1 3.66Å; F407-L536 HydrophobicContact CZ-CD1 3.68Å; F407-L536 HydrophobicContact CZ-CD2 4.32Å; I488-L536 HydrophobicContact CD1-CD2 4Å; F532-L536 HydrophobicContact CE1-CD2 3.99Å; F532-L536 HydrophobicContact CZ-CD2 4.11Å; F532-L536 WeakPolarHBondContact O-CB 3.38Å; F532-L536 PolarHBondContact O-N 2.96Å; S533-L536 PolarHBondContact O-N 3.49Å; R534-L536 VanDerWaalsContact C-N 3.27Å; R534-L536 PolarHBondContact O-N 3.35Å; L536-T539 PolarHBondContact O-OG1 3.34Å; L536-M540 WeakPolarHBondContact O-CE 3.14Å; L536-M540 WeakPolarHBondContact O-CG 3.45Å
537	L	90.7	Very high	88.9	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	24%	0.241	C	C	.	.	I	π-helix	trans	-85.2	-45.8	-166	-54.3	-179.9	0	0	0	112.8	W280 L281 I284 I484 N485 I488 S533 T539 M540	W280-L537 HydrophobicContact CH2-CB 3.91Å; W280-L537 WeakPolarHBondContact CH2-O 3.28Å; W280-L537 VanDerWaalsContact CZ2-O 3.23Å; W280-L537 WeakPolarHBondContact CZ2-O 3.38Å; W280-L537 HydrophobicContact CZ3-CB 3.84Å; W280-L537 HydrophobicContact CZ3-CD2 3.76Å; W280-L537 HydrophobicContact CZ3-CG 4.35Å; W280-L537 WeakPolarHBondContact CZ3-O 3.36Å; L281-L537 HydrophobicContact CD1-CD1 4.49Å; I284-L537 HydrophobicContact CG2-CD2 4.41Å; I484-L537 HydrophobicContact CG2-CD1 4.4Å; N485-L537 HydrophobicContact CB-CD1 4.45Å; N485-L537 VanDerWaalsContact CG-CD1 3.42Å; N485-L537 WeakPolarHBondContact ND2-CD1 3.2Å; N485-L537 WeakPolarHBondContact OD1-CD1 3.33Å; I488-L537 HydrophobicContact CD1-CD1 3.95Å; S533-L537 PolarHBondContact O-N 3.2Å; L537-T539 VanDerWaalsContact C-N 3.29Å; L537-T539 PolarHBondContact O-N 3.39Å; L537-M540 HydrophobicContact CB-CE 4.49Å; L537-M540 HydrophobicContact CD2-CE 3.63Å; L537-M540 WeakPolarHBondContact O-CB 3.13Å; L537-M540 PolarHBondContact O-N 3.14Å; L537-M540 VanDerWaalsContact O-N 3.1Å
538	D	90.2	Very high	88.8	Confident	24 Å²	24	48.5 Å²	48.5	13%	0.128	23%	0.228	C	C	.	.	I	π-helix	trans	-69.6	-26.8	-174.1	-59.3	-7.3	0	0	0	113	R534 M540 E541 L552 N555 R559	R534-D538 WeakPolarHBondContact CG-OD2 3.23Å; R534-D538 IonicContact CZ-OD2 3.71Å; R534-D538 IonicContact NE-OD2 3.76Å; R534-D538 IonicContact NH1-OD2 3.79Å; R534-D538 VanDerWaalsContact O-CB 3.23Å; R534-D538 WeakPolarHBondContact O-CB 3.21Å; R534-D538 PolarHBondContact O-N 2.85Å; D538-M540 PolarHBondContact O-N 2.77Å; D538-M540 VanDerWaalsContact O-N 3.08Å; D538-E541 PolarHBondContact O-N 3.26Å; D538-L552 HydrophobicContact CB-CD2 3.63Å; D538-N555 PolarHBondContact OD1-ND2 2.88Å; D538-R559 VanDerWaalsContact CG-NH2 3.34Å; D538-R559 IonicContact OD1-CZ 3.15Å; D538-R559 VanDerWaalsContact OD1-CZ 3.31Å; D538-R559 IonicContact OD1-NH1 3.48Å; D538-R559 PolarHBondContact OD1-NH1 3.45Å; D538-R559 IonicContact OD1-NH2 2.75Å; D538-R559 PolarHBondContact OD1-NH2 3.42Å; D538-R559 IonicContact OD2-CZ 3.83Å; D538-R559 IonicContact OD2-NH1 3.8Å; D538-R559 PolarHBondContact OD2-NH1 3.49Å; D538-R559 IonicContact OD2-NH2 3.76Å; D538-R559 PolarHBondContact OD2-NH2 2.83Å
539	T	84.6	Confident	88.8	Confident	37 Å²	37	48.5 Å²	48.5	23%	0.227	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-11.7	176.9	63.4	0	0	0	0	112.8	Q406 R535 L536 L537 R542	Q406-T539 PolarHBondContact NE2-OG1 3.4Å; R535-T539 VanDerWaalsContact O-CB 3.31Å; R535-T539 WeakPolarHBondContact O-CB 3.44Å; R535-T539 WeakPolarHBondContact O-CG2 3.23Å; R535-T539 PolarHBondContact O-OG1 3.11Å; L536-T539 PolarHBondContact O-OG1 3.34Å; L537-T539 VanDerWaalsContact C-N 3.29Å; L537-T539 PolarHBondContact O-N 3.39Å; T539-R542 PolarHBondContact O-NE 3.15Å; T539-R542 PolarHBondContact O-NH1 3.27Å; T539-R542 PolarHBondContact O-NH2 3.17Å
540	M	77.1	Confident	88.8	Confident	15 Å²	15	48.5 Å²	48.5	7%	0.074	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-22	-177.5	-52	-169.2	-92.4	0	0	112.5	W280 I284 Q403 L536 L537 D538 R542	W280-M540 HydrophobicContact CB-CB 4.02Å; W280-M540 HydrophobicContact CB-CG 4.44Å; W280-M540 HydrophobicContact CB-SD 3.65Å; W280-M540 HydrophobicContact CD2-CB 3.1Å; W280-M540 HydrophobicContact CD2-CE 3.9Å; W280-M540 HydrophobicContact CD2-CG 3.98Å; W280-M540 HydrophobicContact CD2-SD 3.7Å; W280-M540 VanDerWaalsContact CE2-C 3.46Å; W280-M540 HydrophobicContact CE3-CB 3.45Å; W280-M540 VanDerWaalsContact CE3-CB 3.45Å; W280-M540 HydrophobicContact CE3-CE 2.91Å; W280-M540 HydrophobicContact CE3-CG 3.9Å; W280-M540 HydrophobicContact CE3-SD 3.3Å; W280-M540 HydrophobicContact CG-CB 3.39Å; W280-M540 HydrophobicContact CG-CG 4.25Å; W280-M540 HydrophobicContact CG-SD 3.91Å; W280-M540 HydrophobicContact CH2-CB 3.98Å; W280-M540 HydrophobicContact CH2-CE 4.15Å; W280-M540 HydrophobicContact CZ2-CB 3.48Å; W280-M540 VanDerWaalsContact CZ2-CB 3.48Å; W280-M540 HydrophobicContact CZ3-CB 3.97Å; W280-M540 HydrophobicContact CZ3-CE 3.16Å; W280-M540 HydrophobicContact CZ3-CG 4.42Å; W280-M540 HydrophobicContact CZ3-SD 4.1Å; W280-M540 VanDerWaalsContact NE1-C 3.33Å; W280-M540 PolarHBondContact NE1-O 3.28Å; W280-M540 VanDerWaalsContact NE1-O 3.09Å; I284-M540 HydrophobicContact CB-CE 4.48Å; I284-M540 HydrophobicContact CD1-CE 3.21Å; I284-M540 HydrophobicContact CD1-SD 3.5Å; I284-M540 VanDerWaalsContact CD1-SD 3.5Å; I284-M540 HydrophobicContact CG1-CE 3.85Å; I284-M540 HydrophobicContact CG1-SD 4.02Å; Q403-M540 HydrophobicContact CG-CG 3.9Å; Q403-M540 HydrophobicContact CG-SD 3.85Å; Q403-M540 PolarHBondContact NE2-SD 2.97Å; L536-M540 WeakPolarHBondContact O-CE 3.14Å; L536-M540 WeakPolarHBondContact O-CG 3.45Å; L537-M540 HydrophobicContact CB-CE 4.49Å; L537-M540 HydrophobicContact CD2-CE 3.63Å; L537-M540 WeakPolarHBondContact O-CB 3.13Å; L537-M540 PolarHBondContact O-N 3.14Å; L537-M540 VanDerWaalsContact O-N 3.1Å; D538-M540 PolarHBondContact O-N 2.77Å; D538-M540 VanDerWaalsContact O-N 3.08Å; M540-R542 VanDerWaalsContact C-N 3.29Å; M540-R542 PolarHBondContact O-N 3.07Å
541	E	86.7	Confident	88.7	Confident	8 Å²	8	45.3 Å²	45.3	4%	0.037	22%	0.215	C	C	.	.			trans	-80.3	77.3	171.1	-77.9	-30.7	149.4	0	0	110.2	W280 Y481 D538 F548 N551 L552	W280-E541 VanDerWaalsContact CE2-CD 3.44Å; W280-E541 HydrophobicContact CH2-CG 4.06Å; W280-E541 HydrophobicContact CZ2-CB 3.92Å; W280-E541 HydrophobicContact CZ2-CG 3.29Å; W280-E541 VanDerWaalsContact CZ2-N 3.31Å; W280-E541 WeakPolarHBondContact CZ2-OE1 3.38Å; W280-E541 PolarHBondContact NE1-OE1 3.07Å; W280-E541 PolarHBondContact NE1-OE2 3.29Å; Y481-E541 WeakPolarHBondContact CE1-OE1 3.46Å; Y481-E541 PolarHBondContact OH-OE1 3.5Å; D538-E541 PolarHBondContact O-N 3.26Å; E541-F548 HydrophobicContact CB-CB 4.48Å; E541-F548 HydrophobicContact CB-CD1 4.33Å; E541-F548 WeakPolarHBondContact OE2-CD1 3.17Å; E541-N551 VanDerWaalsContact CD-ND2 3.26Å; E541-N551 HydrophobicContact CG-CB 3.4Å; E541-N551 VanDerWaalsContact CG-CB 3.4Å; E541-N551 WeakPolarHBondContact OE1-CB 3.35Å; E541-N551 PolarHBondContact OE1-ND2 3.22Å; E541-N551 PolarHBondContact OE2-ND2 2.91Å; E541-L552 HydrophobicContact CB-CD1 4.18Å; E541-L552 HydrophobicContact CB-CD2 3.7Å; E541-L552 HydrophobicContact CB-CG 3.57Å; E541-L552 HydrophobicContact CG-CD2 4.23Å; E541-L552 HydrophobicContact CG-CG 4Å
542	R	81.3	Confident	88.8	Confident	141 Å²	141	40.4 Å²	40.4	53%	0.532	20%	0.2	S	C	.	.			trans	-111.5	120.9	173.1	-63.7	-167.7	-176.1	92.6	9.3	111	T539 M540 F548	T539-R542 PolarHBondContact O-NE 3.15Å; T539-R542 PolarHBondContact O-NH1 3.27Å; T539-R542 PolarHBondContact O-NH2 3.17Å; M540-R542 VanDerWaalsContact C-N 3.29Å; M540-R542 PolarHBondContact O-N 3.07Å; R542-F548 WeakPolarHBondContact O-CD1 3.39Å; R542-F548 WeakPolarHBondContact O-CE1 3.37Å; R542-F548 WeakPolarHBondContact O-CZ 3.21Å
543	G	82	Confident	89	Confident	45 Å²	45	41.2 Å²	41.2	46%	0.464	20%	0.204	S	C	.	.	S	Bend	trans	161.3	175.3	171.5	0	0	0	0	0	111.1
544	S	79.9	Confident	89.2	Confident	98 Å²	98	41.2 Å²	41.2	69%	0.685	20%	0.204	S	C	*	.	S	Bend	trans	-99.2	-10.8	175.6	52.5	0	0	0	0	113
545	H	88.7	Confident	89.4	Confident	96 Å²	96	35 Å²	35	44%	0.444	18%	0.18	S	C	.	.	S	Bend	trans	-65.5	142	178.3	-175.6	-90	0	0	0	110.9	R547 F548	H545-R547 WeakPolarHBondContact ND1-CB 3.47Å; H545-R547 PolarHBondContact ND1-N 2.04Å; H545-R547 PolarHBondContact O-N 2.86Å; H545-F548 HydrophobicContact CB-CD2 3.67Å; H545-F548 HydrophobicContact CB-CE2 3.78Å; H545-F548 WeakPolarHBondContact O-CD2 3.13Å; H545-F548 PolarHBondContact O-N 3.43Å
546	I	92	Very high	89.8	Confident	23 Å²	23	32.3 Å²	32.3	12%	0.118	17%	0.174	C	C	.	.	H	α-helix	trans	-51.5	-33.8	-176.6	-171.3	165.2	0	0	0	113.7	F548 E549 M550 L611 L682 Y716	I546-F548 VanDerWaalsContact C-N 3.32Å; I546-F548 PolarHBondContact O-N 3.37Å; I546-E549 PolarHBondContact O-N 3.31Å; I546-M550 WeakPolarHBondContact O-CB 3.29Å; I546-M550 PolarHBondContact O-N 3.04Å; I546-L611 HydrophobicContact CB-CD1 3.96Å; I546-L611 HydrophobicContact CB-CD2 4.32Å; I546-L611 HydrophobicContact CB-CG 3.8Å; I546-L611 HydrophobicContact CD1-CG 4.3Å; I546-L611 HydrophobicContact CG1-CD2 4.42Å; I546-L611 HydrophobicContact CG1-CG 4.04Å; I546-L682 HydrophobicContact CG1-CD2 4.04Å; I546-Y716 HydrophobicContact CB-CD1 4.46Å; I546-Y716 HydrophobicContact CD1-CD1 4.32Å; I546-Y716 HydrophobicContact CD1-CG 3.94Å; I546-Y716 HydrophobicContact CG1-CD1 3.96Å; I546-Y716 HydrophobicContact CG1-CG 4.07Å; I546-Y716 HydrophobicContact CG2-CD1 3.86Å; I546-Y716 HydrophobicContact CG2-CD2 3.81Å; I546-Y716 HydrophobicContact CG2-CE1 3.89Å; I546-Y716 HydrophobicContact CG2-CE2 3.85Å; I546-Y716 HydrophobicContact CG2-CG 3.82Å
547	R	91.7	Very high	90.3	Very high	40 Å²	40	32.4 Å²	32.4	15%	0.151	17%	0.174	C	C	.	.	H	α-helix	trans	-53	-44.4	174	-168.2	-177.4	70	84.4	8.7	113.4	H545 M550 N551 Y716	H545-R547 WeakPolarHBondContact ND1-CB 3.47Å; H545-R547 PolarHBondContact ND1-N 2.04Å; H545-R547 PolarHBondContact O-N 2.86Å; R547-M550 HydrophobicContact CG-CE 4.47Å; R547-M550 PolarHBondContact O-N 2.87Å; R547-N551 PolarHBondContact NH1-ND2 2.93Å; R547-N551 VanDerWaalsContact O-CB 3.26Å; R547-N551 WeakPolarHBondContact O-CB 3.4Å; R547-N551 PolarHBondContact O-N 3.1Å; R547-N551 PolarHBondContact O-ND2 2.85Å; R547-N551 PolarHBondContact O-OD1 3.05Å; R547-Y716 HydrophobicContact CB-CE1 3.98Å; R547-Y716 HydrophobicContact CG-CE1 4.4Å
548	F	91.2	Very high	90.7	Very high	39 Å²	39	32.3 Å²	32.3	17%	0.171	17%	0.174	C	C	.	.	H	α-helix	trans	-65.9	-43.2	-178.9	-62.1	-76.8	0	0	0	110.9	E541 R542 H545 I546 N551 L552	E541-F548 HydrophobicContact CB-CB 4.48Å; E541-F548 HydrophobicContact CB-CD1 4.33Å; E541-F548 WeakPolarHBondContact OE2-CD1 3.17Å; R542-F548 WeakPolarHBondContact O-CD1 3.39Å; R542-F548 WeakPolarHBondContact O-CE1 3.37Å; R542-F548 WeakPolarHBondContact O-CZ 3.21Å; H545-F548 HydrophobicContact CB-CD2 3.67Å; H545-F548 HydrophobicContact CB-CE2 3.78Å; H545-F548 WeakPolarHBondContact O-CD2 3.13Å; H545-F548 PolarHBondContact O-N 3.43Å; I546-F548 VanDerWaalsContact C-N 3.32Å; I546-F548 PolarHBondContact O-N 3.37Å; F548-N551 PolarHBondContact O-N 2.93Å; F548-L552 WeakPolarHBondContact O-CB 3.37Å; F548-L552 VanDerWaalsContact O-CG 3.3Å; F548-L552 WeakPolarHBondContact O-CG 3.48Å; F548-L552 PolarHBondContact O-N 3.28Å
549	E	91.9	Very high	91.1	Very high	34 Å²	34	31.5 Å²	31.5	16%	0.159	17%	0.169	C	C	.	.	H	α-helix	trans	-66.7	-41.7	177.4	-67.2	-71.1	169.3	0	0	111.8	I546 L552 H553 L611 N681 L682	I546-E549 PolarHBondContact O-N 3.31Å; E549-L552 PolarHBondContact O-N 2.78Å; E549-H553 WeakPolarHBondContact O-CB 3.5Å; E549-H553 PolarHBondContact O-N 3.4Å; E549-L611 HydrophobicContact CB-CD2 4.46Å; E549-L611 HydrophobicContact CG-CD2 4.06Å; E549-N681 HydrophobicContact CG-CB 4.21Å; E549-N681 PolarHBondContact OE1-ND2 3.34Å; E549-L682 HydrophobicContact CB-CD1 4.31Å; E549-L682 HydrophobicContact CB-CD2 3.74Å; E549-L682 HydrophobicContact CB-CG 3.96Å
550	M	93.9	Very high	91.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58	-50.2	173.7	-179.8	-163.3	75.3	0	0	111	T477 I546 R547 H553 N554 V714 Y716	T477-M550 HydrophobicContact CG2-CE 4.08Å; I546-M550 WeakPolarHBondContact O-CB 3.29Å; I546-M550 PolarHBondContact O-N 3.04Å; R547-M550 HydrophobicContact CG-CE 4.47Å; R547-M550 PolarHBondContact O-N 2.87Å; M550-H553 WeakPolarHBondContact O-CB 3.4Å; M550-H553 PolarHBondContact O-N 3.06Å; M550-N554 PolarHBondContact O-N 3.27Å; M550-N554 PolarHBondContact O-ND2 2.9Å; M550-V714 HydrophobicContact CB-CG2 4.45Å; M550-V714 HydrophobicContact CG-CG2 3.95Å; M550-V714 VanDerWaalsContact CG-O 3.27Å; M550-V714 WeakPolarHBondContact CG-O 3.46Å; M550-Y716 HydrophobicContact CB-CD1 4.18Å; M550-Y716 HydrophobicContact CB-CE1 4.43Å; M550-Y716 HydrophobicContact CE-CE1 4.05Å; M550-Y716 HydrophobicContact CG-CD1 4.28Å; M550-Y716 HydrophobicContact SD-CD1 3.45Å; M550-Y716 WeakPolarHBondContact SD-CD1 2.97Å; M550-Y716 HydrophobicContact SD-CE1 3.57Å; M550-Y716 VanDerWaalsContact SD-CE1 3.57Å
551	N	94	Very high	92.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.2	-42.3	-179.5	-73.3	-6	0	0	0	112	Y481 E541 R547 F548 H553 N554 N555	Y481-N551 HydrophobicContact CD1-CB 3.74Å; Y481-N551 HydrophobicContact CE1-CB 3.48Å; Y481-N551 VanDerWaalsContact CE1-CB 3.48Å; Y481-N551 PolarHBondContact OH-ND2 3.26Å; E541-N551 VanDerWaalsContact CD-ND2 3.26Å; E541-N551 HydrophobicContact CG-CB 3.4Å; E541-N551 VanDerWaalsContact CG-CB 3.4Å; E541-N551 WeakPolarHBondContact OE1-CB 3.35Å; E541-N551 PolarHBondContact OE1-ND2 3.22Å; E541-N551 PolarHBondContact OE2-ND2 2.91Å; R547-N551 PolarHBondContact NH1-ND2 2.93Å; R547-N551 VanDerWaalsContact O-CB 3.26Å; R547-N551 WeakPolarHBondContact O-CB 3.4Å; R547-N551 PolarHBondContact O-N 3.1Å; R547-N551 PolarHBondContact O-ND2 2.85Å; R547-N551 PolarHBondContact O-OD1 3.05Å; F548-N551 PolarHBondContact O-N 2.93Å; N551-H553 VanDerWaalsContact C-N 3.33Å; N551-H553 PolarHBondContact O-N 3.08Å; N551-N554 PolarHBondContact O-N 3.34Å; N551-N555 VanDerWaalsContact O-CB 3.3Å; N551-N555 WeakPolarHBondContact O-CB 3.49Å; N551-N555 PolarHBondContact O-N 2.85Å; N551-N555 PolarHBondContact O-ND2 3Å; N551-N555 PolarHBondContact O-OD1 2.92Å
552	L	94.6	Very high	93.2	Very high	50 Å²	50	31.2 Å²	31.2	26%	0.262	17%	0.165	S	C	.	.	H	α-helix	trans	-61.2	-40.8	174.1	-77	171.8	0	0	0	112.3	D538 E541 F548 E549 G556	D538-L552 HydrophobicContact CB-CD2 3.63Å; E541-L552 HydrophobicContact CB-CD1 4.18Å; E541-L552 HydrophobicContact CB-CD2 3.7Å; E541-L552 HydrophobicContact CB-CG 3.57Å; E541-L552 HydrophobicContact CG-CD2 4.23Å; E541-L552 HydrophobicContact CG-CG 4Å; F548-L552 WeakPolarHBondContact O-CB 3.37Å; F548-L552 VanDerWaalsContact O-CG 3.3Å; F548-L552 WeakPolarHBondContact O-CG 3.48Å; F548-L552 PolarHBondContact O-N 3.28Å; E549-L552 PolarHBondContact O-N 2.78Å; L552-G556 PolarHBondContact O-N 3.36Å
553	H	96.4	Very high	93.9	Very high	17 Å²	17	26.3 Å²	26.3	8%	0.079	15%	0.149	C	C	.	.	H	α-helix	trans	-63.1	-52.7	176.1	-178.6	90.6	0	0	0	111.1	E549 M550 N551 N555 G556 V557 L682 S709 Q712 V714	E549-H553 WeakPolarHBondContact O-CB 3.5Å; E549-H553 PolarHBondContact O-N 3.4Å; M550-H553 WeakPolarHBondContact O-CB 3.4Å; M550-H553 PolarHBondContact O-N 3.06Å; N551-H553 VanDerWaalsContact C-N 3.33Å; N551-H553 PolarHBondContact O-N 3.08Å; H553-N555 PolarHBondContact O-N 2.82Å; H553-G556 CarbonylContact O-C 3.58Å; H553-G556 WeakPolarHBondContact O-CA 3.2Å; H553-G556 PolarHBondContact O-N 3.37Å; H553-V557 WeakPolarHBondContact O-CG2 3.48Å; H553-V557 PolarHBondContact O-N 3.49Å; H553-L682 HydrophobicContact CB-CD1 3.95Å; H553-S709 PolarHBondContact CE1-O 3.06Å; H553-S709 PolarHBondContact NE2-O 3.43Å; H553-Q712 PolarHBondContact NE2-O 2.73Å; H553-V714 HydrophobicContact CB-CG2 3.84Å; H553-V714 WeakPolarHBondContact CD2-CG2 3.43Å
554	N	97.5	Very high	94.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.5	-37.1	-179.5	-68.2	-33.6	0	0	0	112.3	A478 S482 M550 N551 G556 V557 G558 V714	A478-N554 WeakPolarHBondContact CA-ND2 3.23Å; A478-N554 WeakPolarHBondContact CB-ND2 3.3Å; S482-N554 PolarHBondContact OG-O 2.81Å; M550-N554 PolarHBondContact O-N 3.27Å; M550-N554 PolarHBondContact O-ND2 2.9Å; N551-N554 PolarHBondContact O-N 3.34Å; N554-G556 PolarHBondContact O-N 3.35Å; N554-V557 WeakPolarHBondContact O-CB 3.34Å; N554-V557 PolarHBondContact O-N 3.33Å; N554-V557 VanDerWaalsContact O-N 3.15Å; N554-G558 PolarHBondContact O-N 3.26Å; N554-V714 PolarHBondContact ND2-O 3.03Å; N554-V714 PolarHBondContact OD1-N 2.7Å
555	N	96.9	Very high	95.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-54.7	-43.7	167.1	-74.4	-13.8	0	0	0	111.2	Y481 N485 D538 N551 H553 R559	Y481-N555 WeakPolarHBondContact CD1-OD1 3.22Å; N485-N555 VanDerWaalsContact ND2-CG 3.33Å; N485-N555 PolarHBondContact ND2-OD1 3.19Å; D538-N555 PolarHBondContact OD1-ND2 2.88Å; N551-N555 VanDerWaalsContact O-CB 3.3Å; N551-N555 WeakPolarHBondContact O-CB 3.49Å; N551-N555 PolarHBondContact O-N 2.85Å; N551-N555 PolarHBondContact O-ND2 3Å; N551-N555 PolarHBondContact O-OD1 2.92Å; H553-N555 PolarHBondContact O-N 2.82Å; N555-R559 WeakPolarHBondContact O-CG 3.38Å; N555-R559 PolarHBondContact O-N 3.48Å; N555-R559 PolarHBondContact O-NE 2.89Å
556	G	97	Very high	95.5	Very high	11 Å²	11	25.1 Å²	25.1	11%	0.113	12%	0.121	C	C	.	.	H	α-helix	trans	-59.6	-46.2	174.6	0	0	0	0	0	113.2	L552 H553 N554 R559 Q560	L552-G556 PolarHBondContact O-N 3.36Å; H553-G556 CarbonylContact O-C 3.58Å; H553-G556 WeakPolarHBondContact O-CA 3.2Å; H553-G556 PolarHBondContact O-N 3.37Å; N554-G556 PolarHBondContact O-N 3.35Å; G556-R559 PolarHBondContact O-N 3.44Å; G556-Q560 WeakPolarHBondContact O-CB 3.33Å; G556-Q560 PolarHBondContact O-N 2.91Å
557	V	98.4	Very high	95.4	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	13%	0.129	C	C	.	.	H	α-helix	trans	-57.4	-51.8	177.9	175.2	0	0	0	0	110.2	H553 N554 R559 Q560 L561 M601 L710 Q712 L713	H553-V557 WeakPolarHBondContact O-CG2 3.48Å; H553-V557 PolarHBondContact O-N 3.49Å; N554-V557 WeakPolarHBondContact O-CB 3.34Å; N554-V557 PolarHBondContact O-N 3.33Å; N554-V557 VanDerWaalsContact O-N 3.15Å; V557-R559 VanDerWaalsContact C-N 3.35Å; V557-R559 PolarHBondContact O-N 3.49Å; V557-Q560 PolarHBondContact O-N 3.23Å; V557-Q560 VanDerWaalsContact O-N 3.13Å; V557-L561 WeakPolarHBondContact O-CB 3.24Å; V557-L561 PolarHBondContact O-N 3.34Å; V557-M601 HydrophobicContact CG1-CE 3.74Å; V557-M601 HydrophobicContact CG1-SD 4.26Å; V557-L710 HydrophobicContact CG2-CD2 4.41Å; V557-Q712 VanDerWaalsContact CG2-O 3.31Å; V557-Q712 WeakPolarHBondContact CG2-O 3.27Å; V557-L713 HydrophobicContact CB-CD2 4.33Å; V557-L713 HydrophobicContact CG1-CD2 3.9Å
558	G	98.3	Very high	95.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-56	-45.1	178.7	0	0	0	0	0	113.6	S482 N554 L561 V562	S482-G558 VanDerWaalsContact O-CA 3.23Å; S482-G558 WeakPolarHBondContact O-CA 3.39Å; N554-G558 PolarHBondContact O-N 3.26Å; G558-L561 WeakPolarHBondContact O-CB 3.48Å; G558-L561 PolarHBondContact O-N 2.89Å; G558-V562 PolarHBondContact O-N 3.43Å
559	R	98.1	Very high	95.1	Very high	6 Å²	6	33.1 Å²	33.1	2%	0.023	15%	0.152	C	C	.	.	H	α-helix	trans	-66	-41.9	176.5	-65.4	-180	-75.1	-110.3	6.7	112.4	N485 V489 S533 D538 N555 G556 V557 L561 V562 I563	N485-R559 HydrophobicContact CB-CG 4.22Å; N485-R559 PolarHBondContact OD1-NH1 2.91Å; V489-R559 HydrophobicContact CG2-CB 4.35Å; V489-R559 HydrophobicContact CG2-CG 3.77Å; S533-R559 WeakPolarHBondContact OG-CD 3.43Å; D538-R559 VanDerWaalsContact CG-NH2 3.34Å; D538-R559 IonicContact OD1-CZ 3.15Å; D538-R559 VanDerWaalsContact OD1-CZ 3.31Å; D538-R559 IonicContact OD1-NH1 3.48Å; D538-R559 PolarHBondContact OD1-NH1 3.45Å; D538-R559 IonicContact OD1-NH2 2.75Å; D538-R559 PolarHBondContact OD1-NH2 3.42Å; D538-R559 IonicContact OD2-CZ 3.83Å; D538-R559 IonicContact OD2-NH1 3.8Å; D538-R559 PolarHBondContact OD2-NH1 3.49Å; D538-R559 IonicContact OD2-NH2 3.76Å; D538-R559 PolarHBondContact OD2-NH2 2.83Å; N555-R559 WeakPolarHBondContact O-CG 3.38Å; N555-R559 PolarHBondContact O-N 3.48Å; N555-R559 PolarHBondContact O-NE 2.89Å; G556-R559 PolarHBondContact O-N 3.44Å; V557-R559 VanDerWaalsContact C-N 3.35Å; V557-R559 PolarHBondContact O-N 3.49Å; R559-L561 VanDerWaalsContact C-N 3.28Å; R559-L561 PolarHBondContact O-N 2.95Å; R559-V562 PolarHBondContact O-N 3Å; R559-I563 WeakPolarHBondContact O-CD1 3.47Å; R559-I563 VanDerWaalsContact O-CG1 3.29Å; R559-I563 WeakPolarHBondContact O-CG1 3.45Å; R559-I563 PolarHBondContact O-N 3.37Å
560	Q	97.3	Very high	95	Very high	42 Å²	42	33 Å²	33	20%	0.196	15%	0.154	C	C	.	.	H	α-helix	trans	-67.6	-33.8	-179.5	-169.4	62.2	29.7	0	0	111.3	G556 V557 V562 I563 K564 L710	G556-Q560 WeakPolarHBondContact O-CB 3.33Å; G556-Q560 PolarHBondContact O-N 2.91Å; V557-Q560 PolarHBondContact O-N 3.23Å; V557-Q560 VanDerWaalsContact O-N 3.13Å; Q560-V562 PolarHBondContact O-N 3.49Å; Q560-I563 PolarHBondContact O-N 3.09Å; Q560-K564 HydrophobicContact CG-CD 3.97Å; Q560-K564 HydrophobicContact CG-CG 4.11Å; Q560-K564 WeakPolarHBondContact O-CB 3.49Å; Q560-K564 WeakPolarHBondContact O-CG 3.39Å; Q560-K564 PolarHBondContact O-N 3.13Å; Q560-L710 HydrophobicContact CB-CB 4.27Å; Q560-L710 HydrophobicContact CB-CD1 4.34Å; Q560-L710 HydrophobicContact CG-CB 4.15Å; Q560-L710 HydrophobicContact CG-CD1 4.29Å
561	L	98.1	Very high	94.6	Very high	13 Å²	13	40.9 Å²	40.9	7%	0.068	18%	0.184	C	C	.	.	H	α-helix	trans	-57.5	-46.9	175.9	-174.3	67.1	0	0	0	111.4	V557 G558 R559 N565 L594 L597 L598 M601	V557-L561 WeakPolarHBondContact O-CB 3.24Å; V557-L561 PolarHBondContact O-N 3.34Å; G558-L561 WeakPolarHBondContact O-CB 3.48Å; G558-L561 PolarHBondContact O-N 2.89Å; R559-L561 VanDerWaalsContact C-N 3.28Å; R559-L561 PolarHBondContact O-N 2.95Å; L561-N565 WeakPolarHBondContact O-CB 3.47Å; L561-N565 PolarHBondContact O-N 2.93Å; L561-N565 PolarHBondContact O-ND2 3.03Å; L561-L594 HydrophobicContact CD2-CB 4.46Å; L561-L594 HydrophobicContact CD2-CD2 4Å; L561-L594 HydrophobicContact CG-CD2 3.79Å; L561-L597 HydrophobicContact CD1-CB 3.89Å; L561-L597 HydrophobicContact CD1-CD1 4.37Å; L561-L598 HydrophobicContact CD2-CB 3.81Å; L561-L598 HydrophobicContact CD2-CD1 4.33Å; L561-L598 HydrophobicContact CD2-CG 4.49Å; L561-M601 HydrophobicContact CD1-CE 3.74Å; L561-M601 HydrophobicContact CD2-CE 4.17Å; L561-M601 HydrophobicContact CG-CE 4.41Å
562	V	97.8	Very high	94.3	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.8	-42	176.8	-166	0	0	0	0	111.3	A486 V489 Q490 I526 G558 R559 Q560 K564 N565 M566 T588 P589 L594	A486-V562 HydrophobicContact CB-CG2 3.71Å; A486-V562 WeakPolarHBondContact O-CG2 3.48Å; V489-V562 HydrophobicContact CB-CG2 4.27Å; V489-V562 HydrophobicContact CG1-CB 4.06Å; V489-V562 HydrophobicContact CG1-CG1 4.1Å; V489-V562 HydrophobicContact CG1-CG2 4.3Å; Q490-V562 HydrophobicContact CB-CG1 4.44Å; I526-V562 HydrophobicContact CD1-CB 3.9Å; I526-V562 HydrophobicContact CD1-CG1 3.49Å; I526-V562 VanDerWaalsContact CD1-CG1 3.49Å; G558-V562 PolarHBondContact O-N 3.43Å; R559-V562 PolarHBondContact O-N 3Å; Q560-V562 PolarHBondContact O-N 3.49Å; V562-K564 PolarHBondContact O-N 2.85Å; V562-N565 PolarHBondContact O-N 3.24Å; V562-M566 PolarHBondContact O-N 3.26Å; V562-T588 HydrophobicContact CG1-CG2 4.01Å; V562-P589 HydrophobicContact CG1-CG 4.18Å; V562-L594 HydrophobicContact CB-CD2 4.47Å; V562-L594 HydrophobicContact CG2-CD1 3.99Å; V562-L594 HydrophobicContact CG2-CD2 4.01Å
563	I	95.7	Very high	93.7	Very high	37 Å²	37	45.2 Å²	45.2	19%	0.19	21%	0.209	C	C	.	.	H	α-helix	trans	-64.7	-42.6	-176.9	-66.6	161.5	0	0	0	112	I526 K530 R559 Q560 N565	I526-I563 HydrophobicContact CD1-CB 4.25Å; I526-I563 HydrophobicContact CD1-CG1 3.67Å; I526-I563 HydrophobicContact CG1-CG1 3.73Å; K530-I563 HydrophobicContact CB-CD1 4.41Å; K530-I563 HydrophobicContact CD-CD1 3.58Å; K530-I563 HydrophobicContact CG-CD1 4.07Å; R559-I563 WeakPolarHBondContact O-CD1 3.47Å; R559-I563 VanDerWaalsContact O-CG1 3.29Å; R559-I563 WeakPolarHBondContact O-CG1 3.45Å; R559-I563 PolarHBondContact O-N 3.37Å; Q560-I563 PolarHBondContact O-N 3.09Å; I563-N565 VanDerWaalsContact C-N 3.29Å; I563-N565 PolarHBondContact O-N 3.36Å
564	K	95.1	Very high	93	Very high	128 Å²	128	47.5 Å²	47.5	56%	0.557	24%	0.238	S	C	*	.	H	α-helix	trans	-72.3	-24.4	-178.7	-72.9	-175.9	171.8	-173.1	0	112.9	Q560 V562	Q560-K564 HydrophobicContact CG-CD 3.97Å; Q560-K564 HydrophobicContact CG-CG 4.11Å; Q560-K564 WeakPolarHBondContact O-CB 3.49Å; Q560-K564 WeakPolarHBondContact O-CG 3.39Å; Q560-K564 PolarHBondContact O-N 3.13Å; V562-K564 PolarHBondContact O-N 2.85Å
565	N	96	Very high	92.2	Very high	57 Å²	57	54.4 Å²	54.4	31%	0.305	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	26.8	-174.1	-63.3	-75.7	0	0	0	112.8	L561 V562 I563 E567 P589 L597	L561-N565 WeakPolarHBondContact O-CB 3.47Å; L561-N565 PolarHBondContact O-N 2.93Å; L561-N565 PolarHBondContact O-ND2 3.03Å; V562-N565 PolarHBondContact O-N 3.24Å; I563-N565 VanDerWaalsContact C-N 3.29Å; I563-N565 PolarHBondContact O-N 3.36Å; N565-E567 PolarHBondContact O-N 3.15Å; N565-P589 HydrophobicContact CB-CB 4.41Å; N565-P589 HydrophobicContact CB-CG 4.14Å; N565-P589 WeakPolarHBondContact O-CB 3.46Å; N565-P589 WeakPolarHBondContact O-CD 3.31Å; N565-P589 WeakPolarHBondContact O-CG 3.4Å; N565-L597 HydrophobicContact CB-CD1 4.23Å; N565-L597 VanDerWaalsContact CG-CD1 3.45Å; N565-L597 WeakPolarHBondContact OD1-CD1 3.34Å
566	M	93	Very high	91.2	Very high	29 Å²	29	59 Å²	59	14%	0.143	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-61.3	126.6	169.4	-72.4	-66.6	-65.4	0	0	109.8	H524 I526 V562 R586 R587 T588	H524-M566 HydrophobicContact CB-CE 4.26Å; I526-M566 HydrophobicContact CB-SD 4.24Å; I526-M566 HydrophobicContact CD1-CG 3.93Å; I526-M566 HydrophobicContact CD1-SD 3.43Å; I526-M566 WeakPolarHBondContact CD1-SD 3.36Å; I526-M566 HydrophobicContact CG1-SD 4.45Å; V562-M566 PolarHBondContact O-N 3.26Å; M566-R586 HydrophobicContact CE-CB 4.25Å; M566-R587 VanDerWaalsContact CE-C 3.41Å; M566-R587 WeakPolarHBondContact CE-O 3.37Å; M566-T588 HydrophobicContact CE-CG2 4.34Å; M566-T588 HydrophobicContact SD-CG2 3.72Å
567	E	90.3	Very high	90.2	Very high	61 Å²	61	61 Å²	61	29%	0.285	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	145.2	-175.1	61.9	-174.7	-177.8	0	0	111.6	N565 R586 R587	N565-E567 PolarHBondContact O-N 3.15Å; E567-R586 WeakPolarHBondContact O-CA 3.35Å; E567-R587 HydrophobicContact CG-CG 3.62Å; E567-R587 PolarHBondContact N-O 3.35Å; E567-R587 PolarHBondContact O-N 3.24Å; E567-R587 IonicContact OE1-CZ 2.66Å; E567-R587 IonicContact OE1-NE 2.97Å; E567-R587 PolarHBondContact OE1-NE 3.31Å; E567-R587 IonicContact OE1-NH2 3.84Å; E567-R587 PolarHBondContact OE1-NH2 3.27Å
568	R	88.7	Confident	89.4	Confident	117 Å²	117	64.5 Å²	64.5	44%	0.442	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	116.9	168.8	-179.1	-176	63.4	124.1	0.9	107.8	W519 C570 C584	W519-R568 HydrophobicContact CH2-CG 4.05Å; W519-R568 HydrophobicContact CZ3-CG 4.17Å; R568-C570 PolarHBondContact NH1-SG 3.33Å; R568-C570 VanDerWaalsContact NH1-SG 3.43Å; R568-C584 HydrophobicContact CG-CB 4.05Å
569	Y	89.1	Confident	88.7	Confident	93 Å²	93	66.3 Å²	66.3	37%	0.365	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	132.7	173.8	-177.8	-91.7	0	0	0	109.2	C584 Y585	Y569-C584 CarbonylContact O-C 3.55Å; Y569-C584 VanDerWaalsContact O-CA 3.23Å; Y569-C584 WeakPolarHBondContact O-CA 3.44Å; Y569-Y585 HydrophobicContact CD1-CD1 4.29Å; Y569-Y585 AromaticContact CD1-CE1 3.4Å; Y569-Y585 HydrophobicContact CD1-CE1 3.4Å; Y569-Y585 VanDerWaalsContact CD1-CE1 3.4Å; Y569-Y585 HydrophobicContact CD1-CE2 4.37Å; Y569-Y585 AromaticContact CD1-CZ 3.44Å; Y569-Y585 VanDerWaalsContact CD1-CZ 3.44Å; Y569-Y585 VanDerWaalsContact CD1-OH 3.3Å; Y569-Y585 WeakPolarHBondContact CD1-OH 3.29Å; Y569-Y585 HydrophobicContact CE1-CE1 4.04Å; Y569-Y585 HydrophobicContact CG-CE1 4.39Å; Y569-Y585 PolarHBondContact N-O 3.44Å; Y569-Y585 PolarHBondContact O-N 2.89Å
570	C	88.2	Confident	88	Confident	31 Å²	31	71.1 Å²	71.1	21%	0.209	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	138.7	-179.2	-58.3	0	0	0	0	110.5	R568 R582 T583 C584	R568-C570 PolarHBondContact NH1-SG 3.33Å; R568-C570 VanDerWaalsContact NH1-SG 3.43Å; C570-R582 HydrophobicContact CB-CG 4.43Å; C570-T583 CarbonylContact C-O 3.35Å; C570-T583 VanDerWaalsContact CA-O 3.27Å; C570-T583 WeakPolarHBondContact CA-O 3.42Å; C570-C584 HydrophobicContact CB-CB 4.08Å; C570-C584 WeakPolarHBondContact CB-SG 3.23Å; C570-C584 WeakPolarHBondContact SG-CB 3.17Å; C570-C584 CovalentContact SG-SG 2.04Å; C570-C584 PolarHBondContact SG-SG 2.91Å
571	R	85.2	Confident	87.4	Confident	165 Å²	165	73.5 Å²	73.5	62%	0.623	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	126.9	169.5	-177.4	176.2	179.6	170.7	1.1	109.1	R582 T583	R571-R582 CarbonylContact O-C 3.59Å; R571-R582 WeakPolarHBondContact O-CA 3.47Å; R571-R582 VanDerWaalsContact O-CB 3.29Å; R571-R582 WeakPolarHBondContact O-CB 3.26Å; R571-T583 PolarHBondContact N-O 3.47Å; R571-T583 PolarHBondContact O-N 2.96Å
572	C	88.6	Confident	86.8	Confident	66 Å²	66	76.3 Å²	76.3	45%	0.446	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	140.2	173.8	-52.9	0	0	0	0	110.4	C579	C572-C579 HydrophobicContact CB-CB 3.55Å; C572-C579 WeakPolarHBondContact CB-SG 3.09Å; C572-C579 WeakPolarHBondContact SG-CB 3.05Å; C572-C579 CovalentContact SG-SG 2.01Å; C572-C579 PolarHBondContact SG-SG 2.94Å
573	H	82.6	Confident	86.2	Confident	75 Å²	75	77.5 Å²	77.5	35%	0.347	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	138.9	172.7	-57.6	-66.2	0	0	0	108.8	L581 T583	H573-L581 HydrophobicContact CB-CD2 4.28Å; H573-L581 HydrophobicContact CB-CG 4.42Å; H573-L581 PolarHBondContact N-O 3.27Å; H573-T583 WeakPolarHBondContact NE2-CB 3.4Å; H573-T583 PolarHBondContact NE2-OG1 2.89Å
574	G	81.8	Confident	85.7	Confident	66 Å²	66	75.8 Å²	75.8	68%	0.68	42%	0.421	S	S	*	.	S	Bend	trans	137.7	154.5	-179.5	0	0	0	0	0	113
575	T	81.1	Confident	85.5	Confident	145 Å²	145	72.6 Å²	72.6	89%	0.89	41%	0.406	S	S	*	.	S	Bend	trans	-81.5	-31.3	-178.9	48.8	0	0	0	0	113.1
576	S	75.8	Confident	85.2	Confident	96 Å²	96	74 Å²	74	67%	0.671	41%	0.407	S	S	*	.	S	Bend	trans	-88.6	-2.8	-172.5	56.7	0	0	0	0	115.3	S578	S576-S578 PolarHBondContact O-N 3.04Å; S576-S578 PolarHBondContact OG-OG 3.43Å
577	G	75.5	Confident	85.1	Confident	53 Å²	53	74.4 Å²	74.4	55%	0.546	41%	0.407	S	S	.	.	S	Bend	trans	75.5	-2.7	179.4	0	0	0	0	0	116.1	C579	G577-C579 PolarHBondContact O-N 2.84Å
578	S	81	Confident	85.4	Confident	74 Å²	74	71.8 Å²	71.8	52%	0.517	40%	0.395	S	S	.	.			trans	-63.5	-11.3	-177.5	62.2	0	0	0	0	115.3	S576 T580	S576-S578 PolarHBondContact O-N 3.04Å; S576-S578 PolarHBondContact OG-OG 3.43Å; S578-T580 PolarHBondContact O-N 3.43Å
579	C	84.8	Confident	85.7	Confident	38 Å²	38	66.2 Å²	66.2	26%	0.257	38%	0.375	S	S	.	.			trans	49.2	33	179.3	-163.8	0	0	0	0	114.5	C572 G577	C572-C579 HydrophobicContact CB-CB 3.55Å; C572-C579 WeakPolarHBondContact CB-SG 3.09Å; C572-C579 WeakPolarHBondContact SG-CB 3.05Å; C572-C579 CovalentContact SG-SG 2.01Å; C572-C579 PolarHBondContact SG-SG 2.94Å; G577-C579 PolarHBondContact O-N 2.84Å
580	T	83.5	Confident	86	Confident	108 Å²	108	69.2 Å²	69.2	66%	0.663	39%	0.385	S	S	*	.			trans	-63.1	-45.1	176.7	50.1	0	0	0	0	110.8	S578	S578-T580 PolarHBondContact O-N 3.43Å
581	L	84.2	Confident	86.4	Confident	91 Å²	91	68.6 Å²	68.6	48%	0.476	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	130.9	171.3	-178.4	65	0	0	0	110.6	H573	H573-L581 HydrophobicContact CB-CD2 4.28Å; H573-L581 HydrophobicContact CB-CG 4.42Å; H573-L581 PolarHBondContact N-O 3.27Å
582	R	85.4	Confident	86.9	Confident	73 Å²	73	66 Å²	66	28%	0.275	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	145.2	174.4	65.4	-175.4	-176	179.6	-8.1	112.8	W517 C570 R571	W517-R582 HydrophobicContact CB-CG 3.66Å; C570-R582 HydrophobicContact CB-CG 4.43Å; R571-R582 CarbonylContact O-C 3.59Å; R571-R582 WeakPolarHBondContact O-CA 3.47Å; R571-R582 VanDerWaalsContact O-CB 3.29Å; R571-R582 WeakPolarHBondContact O-CB 3.26Å
583	T	84.2	Confident	87.4	Confident	25 Å²	25	65.8 Å²	65.8	15%	0.153	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	128.2	172	-68.6	0	0	0	0	109.5	Q520 C570 R571 H573	Q520-T583 HydrophobicContact CB-CG2 3.5Å; Q520-T583 VanDerWaalsContact CB-CG2 3.5Å; Q520-T583 HydrophobicContact CG-CG2 4.14Å; Q520-T583 VanDerWaalsContact O-CG2 3.31Å; Q520-T583 WeakPolarHBondContact O-CG2 3.27Å; C570-T583 CarbonylContact C-O 3.35Å; C570-T583 VanDerWaalsContact CA-O 3.27Å; C570-T583 WeakPolarHBondContact CA-O 3.42Å; R571-T583 PolarHBondContact N-O 3.47Å; R571-T583 PolarHBondContact O-N 2.96Å; H573-T583 WeakPolarHBondContact NE2-CB 3.4Å; H573-T583 PolarHBondContact NE2-OG1 2.89Å
584	C	86.8	Confident	88.1	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	146.7	179.4	-55	0	0	0	0	113	W517 Q518 W519 Q520 R568 Y569 C570	W517-C584 HydrophobicContact CE3-CB 3.9Å; W517-C584 HydrophobicContact CZ3-CB 3.93Å; Q518-C584 PolarHBondContact O-N 3.05Å; W519-C584 HydrophobicContact CE3-CB 4.34Å; W519-C584 HydrophobicContact CZ3-CB 4.37Å; Q520-C584 PolarHBondContact N-O 3.44Å; R568-C584 HydrophobicContact CG-CB 4.05Å; Y569-C584 CarbonylContact O-C 3.55Å; Y569-C584 VanDerWaalsContact O-CA 3.23Å; Y569-C584 WeakPolarHBondContact O-CA 3.44Å; C570-C584 HydrophobicContact CB-CB 4.08Å; C570-C584 WeakPolarHBondContact CB-SG 3.23Å; C570-C584 WeakPolarHBondContact SG-CB 3.17Å; C570-C584 CovalentContact SG-SG 2.04Å; C570-C584 PolarHBondContact SG-SG 2.91Å
585	Y	89	Confident	88.9	Confident	61 Å²	61	59 Å²	59	24%	0.239	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	164.6	171.4	62.9	-87	0	0	0	111.2	D523 Y569 R587	D523-Y585 WeakPolarHBondContact OD1-CA 3.36Å; Y569-Y585 HydrophobicContact CD1-CD1 4.29Å; Y569-Y585 AromaticContact CD1-CE1 3.4Å; Y569-Y585 HydrophobicContact CD1-CE1 3.4Å; Y569-Y585 VanDerWaalsContact CD1-CE1 3.4Å; Y569-Y585 HydrophobicContact CD1-CE2 4.37Å; Y569-Y585 AromaticContact CD1-CZ 3.44Å; Y569-Y585 VanDerWaalsContact CD1-CZ 3.44Å; Y569-Y585 VanDerWaalsContact CD1-OH 3.3Å; Y569-Y585 WeakPolarHBondContact CD1-OH 3.29Å; Y569-Y585 HydrophobicContact CE1-CE1 4.04Å; Y569-Y585 HydrophobicContact CG-CE1 4.39Å; Y569-Y585 PolarHBondContact N-O 3.44Å; Y569-Y585 PolarHBondContact O-N 2.89Å; Y585-R587 HydrophobicContact CD2-CB 4.22Å; Y585-R587 HydrophobicContact CE2-CB 3.89Å
586	R	90.8	Very high	89.7	Confident	86 Å²	86	55.8 Å²	55.8	33%	0.325	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	125.3	177.3	-59.7	-178.7	68.9	177.2	3.6	110.7	W519 D523 H524 M566 E567	W519-R586 HydrophobicContact CH2-CG 3.97Å; W519-R586 HydrophobicContact CZ3-CG 3.79Å; D523-R586 CarbonylContact C-O 3.46Å; D523-R586 VanDerWaalsContact CA-O 3.27Å; D523-R586 WeakPolarHBondContact CA-O 3.45Å; D523-R586 HydrophobicContact CB-CB 4.04Å; D523-R586 PolarHBondContact OD1-N 2.87Å; H524-R586 PolarHBondContact N-O 3.44Å; M566-R586 HydrophobicContact CE-CB 4.25Å; E567-R586 WeakPolarHBondContact O-CA 3.35Å
587	R	91.8	Very high	90.8	Very high	39 Å²	39	54 Å²	54	15%	0.147	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	159.6	177.8	72	174	-149.6	-166.6	-4.1	112.5	M566 E567 Y585	M566-R587 VanDerWaalsContact CE-C 3.41Å; M566-R587 WeakPolarHBondContact CE-O 3.37Å; E567-R587 HydrophobicContact CG-CG 3.62Å; E567-R587 PolarHBondContact N-O 3.35Å; E567-R587 PolarHBondContact O-N 3.24Å; E567-R587 IonicContact OE1-CZ 2.66Å; E567-R587 IonicContact OE1-NE 2.97Å; E567-R587 PolarHBondContact OE1-NE 3.31Å; E567-R587 IonicContact OE1-NH2 3.84Å; E567-R587 PolarHBondContact OE1-NH2 3.27Å; Y585-R587 HydrophobicContact CD2-CB 4.22Å; Y585-R587 HydrophobicContact CE2-CB 3.89Å
588	T	94.9	Very high	91.9	Very high	5 Å²	5	51.5 Å²	51.5	3%	0.031	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-67.5	144.3	173.7	47.9	0	0	0	0	110.2	Q490 A493 H524 I526 V562 M566	Q490-T588 PolarHBondContact O-OG1 3.3Å; A493-T588 HydrophobicContact CB-CG2 3.78Å; H524-T588 HydrophobicContact CB-CG2 3.99Å; H524-T588 PolarHBondContact ND1-N 3.46Å; H524-T588 PolarHBondContact ND1-OG1 3.15Å; I526-T588 HydrophobicContact CD1-CG2 4.33Å; V562-T588 HydrophobicContact CG1-CG2 4.01Å; M566-T588 HydrophobicContact CE-CG2 4.34Å; M566-T588 HydrophobicContact SD-CG2 3.72Å
589	P	96.4	Very high	92.7	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.006	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-62.7	152	177.7	25.8	-34.7	0	0	0	111	Q490 V562 N565 L594	Q490-P589 VanDerWaalsContact CD-O 3.31Å; Q490-P589 WeakPolarHBondContact CG-O 3.42Å; Q490-P589 PolarHBondContact NE2-O 3.09Å; V562-P589 HydrophobicContact CG1-CG 4.18Å; N565-P589 HydrophobicContact CB-CB 4.41Å; N565-P589 HydrophobicContact CB-CG 4.14Å; N565-P589 WeakPolarHBondContact O-CB 3.46Å; N565-P589 WeakPolarHBondContact O-CD 3.31Å; N565-P589 WeakPolarHBondContact O-CG 3.4Å; P589-L594 HydrophobicContact CB-CD2 4.31Å; P589-L594 HydrophobicContact CB-CG 4.19Å; P589-L594 HydrophobicContact CG-CD1 4.06Å; P589-L594 HydrophobicContact CG-CD2 3.51Å; P589-L594 HydrophobicContact CG-CG 3.72Å
590	R	95.4	Very high	93.3	Very high	156 Å²	156	51.7 Å²	51.7	59%	0.589	24%	0.243	S	C	*	.	P	Polyproline II helix	trans	-62.2	149.3	172.7	-64.1	179.6	175.4	177.6	-2.5	110.4	R592 T593 L594	R590-R592 VanDerWaalsContact C-N 3.26Å; R590-R592 PolarHBondContact O-N 3.08Å; R590-T593 WeakPolarHBondContact O-CB 3.34Å; R590-T593 PolarHBondContact O-N 2.95Å; R590-L594 PolarHBondContact O-N 2.7Å; R590-L594 VanDerWaalsContact O-N 3.1Å
591	M	96.1	Very high	94	Very high	17 Å²	17	47.4 Å²	47.4	8%	0.084	22%	0.215	C	C	.	.	H	α-helix	trans	-59.8	-37.2	-178.9	-173	57.7	69	0	0	112.3	R439 A440 E443 I483 T593 L594 G595	R439-M591 HydrophobicContact CB-CB 4.41Å; R439-M591 HydrophobicContact CB-CE 3.84Å; R439-M591 HydrophobicContact CB-CG 4.18Å; R439-M591 WeakPolarHBondContact O-CG 3.5Å; A440-M591 HydrophobicContact CB-CE 4.21Å; E443-M591 HydrophobicContact CB-CG 3.49Å; E443-M591 VanDerWaalsContact CB-CG 3.49Å; E443-M591 HydrophobicContact CB-SD 4.23Å; E443-M591 HydrophobicContact CG-CG 3.83Å; E443-M591 HydrophobicContact CG-SD 4.42Å; I483-M591 HydrophobicContact CD1-SD 3.81Å; I483-M591 HydrophobicContact CG1-SD 4.45Å; M591-T593 VanDerWaalsContact C-N 3.33Å; M591-T593 PolarHBondContact O-N 2.99Å; M591-L594 WeakPolarHBondContact O-CB 3.43Å; M591-L594 PolarHBondContact O-N 3.4Å; M591-L594 HydrophobicContact SD-CB 4.38Å; M591-L594 HydrophobicContact SD-CD1 4.37Å; M591-G595 PolarHBondContact O-N 3.26Å
592	R	96.4	Very high	94.6	Very high	112 Å²	112	44.6 Å²	44.6	42%	0.423	20%	0.198	S	C	.	.	H	α-helix	trans	-56.8	-44.8	173.8	-175.5	56.5	53.7	77.9	-0.8	112.7	E443 R590 G595 T596	E443-R592 WeakPolarHBondContact OE1-CD 3.38Å; E443-R592 IonicContact OE1-NE 2.63Å; E443-R592 PolarHBondContact OE1-NE 3.42Å; E443-R592 WeakPolarHBondContact OE2-CA 3.47Å; E443-R592 IonicContact OE2-CZ 2.8Å; E443-R592 IonicContact OE2-NE 2.92Å; E443-R592 PolarHBondContact OE2-NE 3.01Å; E443-R592 IonicContact OE2-NH2 3.58Å; R590-R592 VanDerWaalsContact C-N 3.26Å; R590-R592 PolarHBondContact O-N 3.08Å; R592-G595 PolarHBondContact O-N 3.49Å; R592-T596 PolarHBondContact O-N 3.07Å; R592-T596 PolarHBondContact O-OG1 3.23Å; R592-T596 VanDerWaalsContact O-OG1 3.14Å
593	T	97.8	Very high	95	Very high	60 Å²	60	44.7 Å²	44.7	37%	0.368	20%	0.204	S	C	.	.	H	α-helix	trans	-63.3	-44.7	177.1	-49.7	0	0	0	0	110.9	R590 M591 T596 L597	R590-T593 WeakPolarHBondContact O-CB 3.34Å; R590-T593 PolarHBondContact O-N 2.95Å; M591-T593 VanDerWaalsContact C-N 3.33Å; M591-T593 PolarHBondContact O-N 2.99Å; T593-T596 PolarHBondContact O-N 3.02Å; T593-L597 HydrophobicContact CG2-CD1 4.15Å; T593-L597 VanDerWaalsContact O-CG 3.28Å; T593-L597 WeakPolarHBondContact O-CG 3.43Å; T593-L597 PolarHBondContact O-N 3.09Å
594	L	98.4	Very high	95.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.5	-44.7	175.7	-69.8	172.6	0	0	0	112	A486 Q490 L561 V562 P589 R590 M591 L597 L598	A486-L594 HydrophobicContact CB-CD1 4.33Å; Q490-L594 HydrophobicContact CB-CD1 4.3Å; Q490-L594 HydrophobicContact CG-CD1 4.37Å; L561-L594 HydrophobicContact CD2-CB 4.46Å; L561-L594 HydrophobicContact CD2-CD2 4Å; L561-L594 HydrophobicContact CG-CD2 3.79Å; V562-L594 HydrophobicContact CB-CD2 4.47Å; V562-L594 HydrophobicContact CG2-CD1 3.99Å; V562-L594 HydrophobicContact CG2-CD2 4.01Å; P589-L594 HydrophobicContact CB-CD2 4.31Å; P589-L594 HydrophobicContact CB-CG 4.19Å; P589-L594 HydrophobicContact CG-CD1 4.06Å; P589-L594 HydrophobicContact CG-CD2 3.51Å; P589-L594 HydrophobicContact CG-CG 3.72Å; R590-L594 PolarHBondContact O-N 2.7Å; R590-L594 VanDerWaalsContact O-N 3.1Å; M591-L594 WeakPolarHBondContact O-CB 3.43Å; M591-L594 PolarHBondContact O-N 3.4Å; M591-L594 HydrophobicContact SD-CB 4.38Å; M591-L594 HydrophobicContact SD-CD1 4.37Å; L594-L597 PolarHBondContact O-N 3.35Å; L594-L598 WeakPolarHBondContact O-CB 3.43Å; L594-L598 PolarHBondContact O-N 3.45Å
595	G	98	Very high	96	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59.3	-47.7	177	0	0	0	0	0	112.2	Q447 M591 R592 L598 K599	Q447-G595 VanDerWaalsContact NE2-C 3.26Å; M591-G595 PolarHBondContact O-N 3.26Å; R592-G595 PolarHBondContact O-N 3.49Å; G595-L598 PolarHBondContact O-N 2.93Å; G595-K599 VanDerWaalsContact O-CB 3.32Å; G595-K599 WeakPolarHBondContact O-CB 3.46Å; G595-K599 PolarHBondContact O-N 2.91Å
596	T	98.2	Very high	96.3	Very high	77 Å²	77	52 Å²	52	47%	0.472	24%	0.242	S	C	.	.	H	α-helix	trans	-63.6	-46.2	178.8	-63.5	0	0	0	0	112	Q447 R592 T593 L598 K599 H600	Q447-T596 VanDerWaalsContact NE2-N 3.19Å; Q447-T596 PolarHBondContact NE2-OG1 3.17Å; R592-T596 PolarHBondContact O-N 3.07Å; R592-T596 PolarHBondContact O-OG1 3.23Å; R592-T596 VanDerWaalsContact O-OG1 3.14Å; T593-T596 PolarHBondContact O-N 3.02Å; T596-L598 VanDerWaalsContact C-N 3.32Å; T596-L598 PolarHBondContact O-N 3.09Å; T596-K599 PolarHBondContact O-N 3.18Å; T596-H600 PolarHBondContact O-N 2.91Å
597	L	98.5	Very high	96.4	Very high	59 Å²	59	49 Å²	49	31%	0.309	23%	0.233	S	C	.	.	H	α-helix	trans	-64.7	-38.1	177.7	-68.2	172.3	0	0	0	112	L561 N565 T593 L594 M601	L561-L597 HydrophobicContact CD1-CB 3.89Å; L561-L597 HydrophobicContact CD1-CD1 4.37Å; N565-L597 HydrophobicContact CB-CD1 4.23Å; N565-L597 VanDerWaalsContact CG-CD1 3.45Å; N565-L597 WeakPolarHBondContact OD1-CD1 3.34Å; T593-L597 HydrophobicContact CG2-CD1 4.15Å; T593-L597 VanDerWaalsContact O-CG 3.28Å; T593-L597 WeakPolarHBondContact O-CG 3.43Å; T593-L597 PolarHBondContact O-N 3.09Å; L594-L597 PolarHBondContact O-N 3.35Å; L597-M601 PolarHBondContact O-N 2.82Å; L597-M601 VanDerWaalsContact O-N 3.11Å
598	L	98.5	Very high	96.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-70.4	-37.4	176.7	-173	59.6	0	0	0	112.1	F479 I483 L561 L594 G595 T596 M601 Y602 L713	F479-L598 HydrophobicContact CD1-CD2 4.37Å; F479-L598 HydrophobicContact CD2-CD2 3.98Å; F479-L598 HydrophobicContact CD2-CG 3.74Å; F479-L598 HydrophobicContact CE1-CD2 4.18Å; F479-L598 HydrophobicContact CE2-CB 3.98Å; F479-L598 HydrophobicContact CE2-CD2 3.79Å; F479-L598 HydrophobicContact CE2-CG 3.54Å; F479-L598 HydrophobicContact CG-CD2 4.28Å; F479-L598 HydrophobicContact CG-CG 4.47Å; F479-L598 HydrophobicContact CZ-CB 4.41Å; F479-L598 HydrophobicContact CZ-CD2 3.88Å; F479-L598 HydrophobicContact CZ-CG 4.11Å; I483-L598 HydrophobicContact CB-CD2 3.61Å; I483-L598 HydrophobicContact CD1-CD2 3.93Å; I483-L598 HydrophobicContact CG1-CD2 4.3Å; L561-L598 HydrophobicContact CD2-CB 3.81Å; L561-L598 HydrophobicContact CD2-CD1 4.33Å; L561-L598 HydrophobicContact CD2-CG 4.49Å; L594-L598 WeakPolarHBondContact O-CB 3.43Å; L594-L598 PolarHBondContact O-N 3.45Å; G595-L598 PolarHBondContact O-N 2.93Å; T596-L598 VanDerWaalsContact C-N 3.32Å; T596-L598 PolarHBondContact O-N 3.09Å; L598-M601 HydrophobicContact CB-CE 4.45Å; L598-M601 HydrophobicContact CD1-CE 3.45Å; L598-M601 VanDerWaalsContact CD1-CE 3.45Å; L598-M601 PolarHBondContact O-N 3.1Å; L598-Y602 PolarHBondContact O-N 3.38Å; L598-L713 HydrophobicContact CD1-CD1 3.96Å; L598-L713 HydrophobicContact CD1-CD2 4.05Å; L598-L713 HydrophobicContact CD1-CG 4.31Å
599	K	97.7	Very high	96.5	Very high	13 Å²	13	49.3 Å²	49.3	6%	0.057	24%	0.236	C	C	.	.	H	α-helix	trans	-65.1	-40.8	174.8	-176.4	59.2	164.5	98.2	0	110.8	Q447 F448 E451 F479 G595 T596 M601 Y602 D603	Q447-K599 HydrophobicContact CG-CB 4.45Å; Q447-K599 VanDerWaalsContact OE1-CB 3.31Å; F448-K599 HydrophobicContact CZ-CD 4.41Å; E451-K599 IonicContact OE1-NZ 3.77Å; E451-K599 PolarHBondContact OE1-NZ 3.39Å; F479-K599 HydrophobicContact CE2-CB 4.32Å; G595-K599 VanDerWaalsContact O-CB 3.32Å; G595-K599 WeakPolarHBondContact O-CB 3.46Å; G595-K599 PolarHBondContact O-N 2.91Å; T596-K599 PolarHBondContact O-N 3.18Å; K599-M601 VanDerWaalsContact C-N 3.34Å; K599-M601 PolarHBondContact O-N 3.25Å; K599-Y602 HydrophobicContact CD-CD1 4.21Å; K599-Y602 WeakPolarHBondContact O-CA 3.29Å; K599-Y602 WeakPolarHBondContact O-CB 3.38Å; K599-Y602 PolarHBondContact O-N 2.87Å; K599-D603 IonicContact NZ-OD1 2.77Å; K599-D603 PolarHBondContact NZ-OD1 3.17Å; K599-D603 IonicContact NZ-OD2 3.47Å; K599-D603 PolarHBondContact NZ-OD2 3.5Å; K599-D603 PolarHBondContact O-N 3.13Å
600	H	97.5	Very high	96.4	Very high	103 Å²	103	54.6 Å²	54.6	48%	0.477	26%	0.259	S	S	.	.	H	α-helix	trans	-58.4	-44	171.1	-177	-75.9	0	0	0	112.2	T596 Y602 D603 H604	T596-H600 PolarHBondContact O-N 2.91Å; H600-Y602 VanDerWaalsContact C-N 3.28Å; H600-Y602 PolarHBondContact O-N 3.26Å; H600-D603 PolarHBondContact O-N 2.98Å; H600-H604 AromaticContact CD2-CD2 3.69Å; H600-H604 AromaticContact CE1-CD2 3.88Å; H600-H604 AromaticContact NE2-CD2 3.59Å; H600-H604 PolarHBondContact O-N 3.06Å
601	M	97.2	Very high	96.1	Very high	18 Å²	18	49 Å²	49	9%	0.089	24%	0.241	C	C	.	.	H	α-helix	trans	-64.4	-32.7	174.7	-70.3	-171.2	-59.9	0	0	112.7	V557 L561 L597 L598 K599 N605 L606 L713	V557-M601 HydrophobicContact CG1-CE 3.74Å; V557-M601 HydrophobicContact CG1-SD 4.26Å; L561-M601 HydrophobicContact CD1-CE 3.74Å; L561-M601 HydrophobicContact CD2-CE 4.17Å; L561-M601 HydrophobicContact CG-CE 4.41Å; L597-M601 PolarHBondContact O-N 2.82Å; L597-M601 VanDerWaalsContact O-N 3.11Å; L598-M601 HydrophobicContact CB-CE 4.45Å; L598-M601 HydrophobicContact CD1-CE 3.45Å; L598-M601 VanDerWaalsContact CD1-CE 3.45Å; L598-M601 PolarHBondContact O-N 3.1Å; K599-M601 VanDerWaalsContact C-N 3.34Å; K599-M601 PolarHBondContact O-N 3.25Å; M601-N605 HydrophobicContact CB-CB 4.32Å; M601-N605 CarbonylContact O-C 3.52Å; M601-N605 VanDerWaalsContact O-CA 3.24Å; M601-N605 WeakPolarHBondContact O-CA 3.44Å; M601-N605 PolarHBondContact O-N 3.16Å; M601-L606 PolarHBondContact O-N 3.32Å; M601-L713 HydrophobicContact CB-CD1 4.37Å; M601-L713 HydrophobicContact CB-CG 4.43Å
602	Y	96.8	Very high	95.6	Very high	31 Å²	31	48.6 Å²	48.6	12%	0.122	24%	0.238	C	C	.	.	H	α-helix	trans	-68.6	-39.4	175.6	176.6	-85.1	0	0	0	112.2	F448 P475 Q476 F479 L598 K599 H600 L606 L713	F448-Y602 HydrophobicContact CE1-CD1 4.43Å; F448-Y602 AromaticContact CE1-CE1 3.86Å; F448-Y602 HydrophobicContact CE1-CE1 3.86Å; F448-Y602 HydrophobicContact CE1-CE2 4.21Å; F448-Y602 AromaticContact CE1-CZ 3.73Å; F448-Y602 HydrophobicContact CZ-CD1 4.19Å; F448-Y602 HydrophobicContact CZ-CD2 4.12Å; F448-Y602 HydrophobicContact CZ-CE1 4.01Å; F448-Y602 AromaticContact CZ-CE2 3.89Å; F448-Y602 HydrophobicContact CZ-CE2 3.89Å; F448-Y602 HydrophobicContact CZ-CG 4.25Å; F448-Y602 AromaticContact CZ-CZ 3.86Å; P475-Y602 HydrophobicContact CB-CD2 4.33Å; P475-Y602 HydrophobicContact CB-CE2 3.51Å; P475-Y602 WeakPolarHBondContact O-CE2 3.5Å; Q476-Y602 PolarHBondContact NE2-OH 3.09Å; F479-Y602 HydrophobicContact CB-CD2 4Å; F479-Y602 HydrophobicContact CB-CE2 4.41Å; F479-Y602 HydrophobicContact CD2-CD2 4.17Å; F479-Y602 HydrophobicContact CD2-CG 4.3Å; L598-Y602 PolarHBondContact O-N 3.38Å; K599-Y602 HydrophobicContact CD-CD1 4.21Å; K599-Y602 WeakPolarHBondContact O-CA 3.29Å; K599-Y602 WeakPolarHBondContact O-CB 3.38Å; K599-Y602 PolarHBondContact O-N 2.87Å; H600-Y602 VanDerWaalsContact C-N 3.28Å; H600-Y602 PolarHBondContact O-N 3.26Å; Y602-L606 WeakPolarHBondContact O-CB 3.2Å; Y602-L713 HydrophobicContact CD2-CD1 4.46Å
603	D	94.8	Very high	94.9	Very high	75 Å²	75	47.8 Å²	47.8	40%	0.401	25%	0.25	S	C	.	.	H	α-helix	trans	-80.4	-34.9	-178	-66.6	-28.7	0	0	0	112.7	K599 H600	K599-D603 IonicContact NZ-OD1 2.77Å; K599-D603 PolarHBondContact NZ-OD1 3.17Å; K599-D603 IonicContact NZ-OD2 3.47Å; K599-D603 PolarHBondContact NZ-OD2 3.5Å; K599-D603 PolarHBondContact O-N 3.13Å; H600-D603 PolarHBondContact O-N 2.98Å
604	H	95.5	Very high	93.8	Very high	135 Å²	135	49.5 Å²	49.5	63%	0.625	27%	0.265	S	S	*	.	H	α-helix	trans	-121	-17.5	-170.3	-60.7	-63.2	0	0	0	115.6	H600	H600-H604 AromaticContact CD2-CD2 3.69Å; H600-H604 AromaticContact CE1-CD2 3.88Å; H600-H604 AromaticContact NE2-CD2 3.59Å; H600-H604 PolarHBondContact O-N 3.06Å
605	N	95.6	Very high	92.3	Very high	58 Å²	58	53.6 Å²	53.6	31%	0.31	28%	0.28	S	S	.	.	S	Bend	trans	-127.1	28.1	-173.8	-52.6	115.6	0	0	0	113	M601 Q712 L713	M601-N605 HydrophobicContact CB-CB 4.32Å; M601-N605 CarbonylContact O-C 3.52Å; M601-N605 VanDerWaalsContact O-CA 3.24Å; M601-N605 WeakPolarHBondContact O-CA 3.44Å; M601-N605 PolarHBondContact O-N 3.16Å; N605-Q712 HydrophobicContact CB-CG 4.34Å; N605-Q712 VanDerWaalsContact O-CA 3.28Å; N605-Q712 WeakPolarHBondContact O-CA 3.39Å; N605-Q712 WeakPolarHBondContact O-CB 3.25Å; N605-L713 PolarHBondContact O-N 2.89Å; N605-L713 VanDerWaalsContact O-N 3.15Å
606	L	94.8	Very high	90.7	Very high	47 Å²	47	57.4 Å²	57.4	25%	0.246	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	128.7	177.5	-174.7	77.8	0	0	0	110.1	P475 M601 Y602 L713 Y715	P475-L606 HydrophobicContact CB-CD1 4.08Å; P475-L606 HydrophobicContact CB-CD2 3.56Å; P475-L606 HydrophobicContact CB-CG 4.44Å; P475-L606 HydrophobicContact CG-CD2 3.59Å; M601-L606 PolarHBondContact O-N 3.32Å; Y602-L606 WeakPolarHBondContact O-CB 3.2Å; L606-L713 HydrophobicContact CD1-CB 3.65Å; L606-Y715 HydrophobicContact CD1-CD1 3.76Å; L606-Y715 HydrophobicContact CD1-CE1 4.33Å; L606-Y715 HydrophobicContact CD2-CD1 3.87Å; L606-Y715 HydrophobicContact CD2-CE1 3.71Å; L606-Y715 HydrophobicContact CG-CD1 3.51Å; L606-Y715 HydrophobicContact CG-CE1 3.56Å
607	V	94.5	Very high	88.6	Confident	23 Å²	23	64.7 Å²	64.7	14%	0.139	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	133.3	-172.3	-178	0	0	0	0	111.6	I684 Q712 L713 V714 Y715	V607-I684 HydrophobicContact CG1-CB 3.9Å; V607-I684 HydrophobicContact CG1-CD1 3.96Å; V607-I684 HydrophobicContact CG1-CG1 3.64Å; V607-I684 HydrophobicContact CG1-CG2 3.28Å; V607-Q712 HydrophobicContact CG2-CB 4.27Å; V607-Q712 HydrophobicContact CG2-CG 4.19Å; V607-L713 PolarHBondContact N-O 3.34Å; V607-V714 WeakPolarHBondContact O-CA 3.31Å; V607-Y715 VanDerWaalsContact C-CE1 3.46Å; V607-Y715 WeakPolarHBondContact O-CD1 3.5Å; V607-Y715 PolarHBondContact O-N 3.08Å; V607-Y715 VanDerWaalsContact O-N 3.15Å
608	Q	94.8	Very high	86.1	Confident	48 Å²	48	67.4 Å²	67.4	22%	0.224	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	134.4	173.4	-160.2	179.9	4.3	0	0	110.9	I685 Y715 Y716	Q608-I685 HydrophobicContact CG-CD1 4Å; Q608-I685 PolarHBondContact O-N 3.41Å; Q608-Y715 CarbonylContact C-O 3.54Å; Q608-Y715 VanDerWaalsContact CA-O 3.23Å; Q608-Y715 WeakPolarHBondContact CA-O 3.44Å; Q608-Y715 HydrophobicContact CB-CE1 4.05Å; Q608-Y715 HydrophobicContact CB-CE2 4.08Å; Q608-Y715 HydrophobicContact CG-CD2 4.31Å; Q608-Y715 HydrophobicContact CG-CE2 3.91Å; Q608-Y716 PolarHBondContact NE2-O 3.34Å; Q608-Y716 VanDerWaalsContact NE2-O 3.1Å
609	V	94.1	Very high	83.4	Confident	2 Å²	2	75.3 Å²	75.3	1%	0.012	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	155	-177.2	-64	0	0	0	0	112.9	L682 I683 P708 V714 Y715 Y716	V609-L682 HydrophobicContact CB-CB 4.28Å; V609-L682 HydrophobicContact CB-CD2 4.33Å; V609-L682 HydrophobicContact CG1-CB 4.4Å; V609-L682 HydrophobicContact CG2-CD1 4.28Å; V609-L682 HydrophobicContact CG2-CD2 3.93Å; V609-I683 CarbonylContact C-O 3.58Å; V609-I683 VanDerWaalsContact CA-O 3.26Å; V609-I683 WeakPolarHBondContact CA-O 3.16Å; V609-P708 HydrophobicContact CG1-CG 4.31Å; V609-V714 HydrophobicContact CG1-CB 3.75Å; V609-V714 HydrophobicContact CG1-CG1 3.72Å; V609-V714 HydrophobicContact CG2-CB 3.96Å; V609-V714 HydrophobicContact CG2-CG2 4.33Å; V609-Y715 WeakPolarHBondContact CG2-O 2.83Å; V609-Y715 PolarHBondContact N-O 3.34Å; V609-Y716 WeakPolarHBondContact O-CB 3.11Å
610	K	92.9	Very high	80.4	Confident	112 Å²	112	83.3 Å²	83.3	49%	0.487	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	164.5	166.8	62.3	-179.4	178.3	-178.6	0	110.5	L682 I683 I685	K610-L682 WeakPolarHBondContact O-CA 3.42Å; K610-I683 HydrophobicContact CG-CB 4.45Å; K610-I683 PolarHBondContact N-O 3.29Å; K610-I683 PolarHBondContact O-N 3.39Å; K610-I685 HydrophobicContact CB-CD1 4.04Å; K610-I685 HydrophobicContact CB-CG1 4.03Å; K610-I685 HydrophobicContact CD-CG1 4.13Å; K610-I685 HydrophobicContact CG-CD1 4.43Å; K610-I685 HydrophobicContact CG-CG1 3.91Å
611	L	91	Very high	77.3	Confident	40 Å²	40	82.4 Å²	82.4	21%	0.209	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	141.5	171.9	-75.5	169.9	0	0	0	110.8	I546 E549 S613 N681 L682	I546-L611 HydrophobicContact CB-CD1 3.96Å; I546-L611 HydrophobicContact CB-CD2 4.32Å; I546-L611 HydrophobicContact CB-CG 3.8Å; I546-L611 HydrophobicContact CD1-CG 4.3Å; I546-L611 HydrophobicContact CG1-CD2 4.42Å; I546-L611 HydrophobicContact CG1-CG 4.04Å; E549-L611 HydrophobicContact CB-CD2 4.46Å; E549-L611 HydrophobicContact CG-CD2 4.06Å; L611-S613 PolarHBondContact O-N 2.91Å; L611-S613 VanDerWaalsContact O-N 3.14Å; L611-N681 CarbonylContact C-O 3.5Å; L611-N681 WeakPolarHBondContact CA-O 3.45Å; L611-N681 HydrophobicContact CD2-CB 4.42Å; L611-L682 HydrophobicContact CD2-CD2 4.44Å
612	D	85.5	Confident	74.3	Confident	7 Å²	7	88 Å²	88	4%	0.037	45%	0.451	C	S	.	.			trans	-72.5	97.8	170.4	-171.8	-5.1	0	0	0	110.1	S614 R615 L616 N681 I683 H707	D612-S614 VanDerWaalsContact CG-OG 3.23Å; D612-S614 PolarHBondContact O-N 3.33Å; D612-S614 VanDerWaalsContact O-N 3.15Å; D612-S614 WeakPolarHBondContact OD1-CB 3.2Å; D612-S614 PolarHBondContact OD1-N 2.99Å; D612-S614 PolarHBondContact OD1-OG 3.2Å; D612-S614 PolarHBondContact OD2-OG 3.21Å; D612-R615 HydrophobicContact CB-CB 4.47Å; D612-R615 PolarHBondContact O-N 3.04Å; D612-R615 VanDerWaalsContact O-N 3.12Å; D612-R615 WeakPolarHBondContact OD2-CG 3.44Å; D612-R615 IonicContact OD2-CZ 3.51Å; D612-R615 IonicContact OD2-NE 3.55Å; D612-R615 IonicContact OD2-NH2 3.14Å; D612-L616 PolarHBondContact O-N 3.21Å; D612-N681 PolarHBondContact N-O 3.5Å; D612-I683 HydrophobicContact CB-CD1 3.65Å; D612-I683 HydrophobicContact CB-CG1 3.79Å; D612-I683 VanDerWaalsContact CG-CD1 3.47Å; D612-I683 WeakPolarHBondContact OD1-CD1 3.3Å; D612-H707 IonicContact OD2-CE1 3.87Å
613	S	79.7	Confident	71.5	Confident	95 Å²	95	96.8 Å²	96.8	66%	0.664	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-57.6	-27.3	177.9	-55.9	0	0	0	0	113	L611 R615 L616	L611-S613 PolarHBondContact O-N 2.91Å; L611-S613 VanDerWaalsContact O-N 3.14Å; S613-R615 PolarHBondContact O-N 3.19Å; S613-L616 PolarHBondContact O-N 3.04Å
614	S	74.7	Confident	68.7	Low	97 Å²	97	101.5 Å²	101.5	68%	0.678	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-69.9	-21.3	-179.4	73.6	0	0	0	0	113.4	D612	D612-S614 VanDerWaalsContact CG-OG 3.23Å; D612-S614 PolarHBondContact O-N 3.33Å; D612-S614 VanDerWaalsContact O-N 3.15Å; D612-S614 WeakPolarHBondContact OD1-CB 3.2Å; D612-S614 PolarHBondContact OD1-N 2.99Å; D612-S614 PolarHBondContact OD1-OG 3.2Å; D612-S614 PolarHBondContact OD2-OG 3.21Å
615	R	68.1	Low	65.5	Low	85 Å²	85	101.4 Å²	101.4	32%	0.321	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-102.2	-8.3	179.9	-67.9	-171.5	-174.3	151.8	22.5	114	D612 S613 R617 K679 S680 H707	D612-R615 HydrophobicContact CB-CB 4.47Å; D612-R615 PolarHBondContact O-N 3.04Å; D612-R615 VanDerWaalsContact O-N 3.12Å; D612-R615 WeakPolarHBondContact OD2-CG 3.44Å; D612-R615 IonicContact OD2-CZ 3.51Å; D612-R615 IonicContact OD2-NE 3.55Å; D612-R615 IonicContact OD2-NH2 3.14Å; S613-R615 PolarHBondContact O-N 3.19Å; R615-R617 PolarHBondContact O-N 3.08Å; R615-R617 VanDerWaalsContact O-N 3.07Å; R615-K679 PolarHBondContact NH1-O 2.67Å; R615-K679 VanDerWaalsContact NH1-O 3.1Å; R615-S680 PolarHBondContact NH1-O 2.95Å; R615-H707 PolarHBondContact NH2-CE1 3.35Å; R615-H707 PolarHBondContact NH2-NE2 2.83Å
616	L	63.4	Low	62.3	Low	81 Å²	81	108.2 Å²	108.2	42%	0.424	53%	0.532	S	S	.	.	S	Bend	trans	-68.8	107.4	170.7	-61.9	178.4	0	0	0	106.8	D612 S613 P618	D612-L616 PolarHBondContact O-N 3.21Å; S613-L616 PolarHBondContact O-N 3.04Å; L616-P618 WeakPolarHBondContact O-CD 3.22Å
617	R	55.7	Low	59.2	Low	230 Å²	230	113.7 Å²	113.7	87%	0.868	56%	0.561	S	S	*	*			trans	-54.8	128.6	169.8	-69.9	-173.3	-172	-169.3	0.1	107	R615 I619	R615-R617 PolarHBondContact O-N 3.08Å; R615-R617 VanDerWaalsContact O-N 3.07Å; R617-I619 PolarHBondContact O-N 2.85Å; R617-I619 VanDerWaalsContact O-N 3.09Å
618	P	44.3	Very low	55.8	Low	116 Å²	116	121.4 Å²	121.4	75%	0.753	60%	0.595	S	S	*	*			trans	-51.9	123.9	164.2	-20.1	30.3	0	0	0	106.7	L616 R620	L616-P618 WeakPolarHBondContact O-CD 3.22Å; P618-R620 PolarHBondContact O-N 2.64Å
619	I	41.7	Very low	52.4	Low	166 Å²	166	125.2 Å²	125.2	85%	0.851	62%	0.622	S	S	*	*			trans	-62.4	100.8	164	-62.9	164.4	0	0	0	103.3	R617 S621	R617-I619 PolarHBondContact O-N 2.85Å; R617-I619 VanDerWaalsContact O-N 3.09Å; I619-S621 PolarHBondContact O-N 3.38Å
620	R	36.4	Very low	49	Very low	180 Å²	180	130.3 Å²	130.3	68%	0.679	66%	0.657	S	S	*	*			trans	-52.8	114.6	168.5	-93	-172.5	177.3	-172.9	2.7	105.4	P618 T622 E625	P618-R620 PolarHBondContact O-N 2.64Å; R620-T622 PolarHBondContact O-N 2.55Å; R620-E625 IonicContact CZ-OE2 2.67Å; R620-E625 IonicContact NH1-OE1 3.64Å; R620-E625 IonicContact NH1-OE2 2.79Å; R620-E625 PolarHBondContact NH1-OE2 2.82Å
621	S	32	Very low	45.7	Very low	84 Å²	84	130.6 Å²	130.6	59%	0.587	67%	0.673	S	S	*	*			trans	-60.6	109	167.7	44.4	0	0	0	0	106	I619 Y623	I619-S621 PolarHBondContact O-N 3.38Å; S621-Y623 PolarHBondContact O-N 3.45Å
622	T	34.7	Very low	42.4	Very low	135 Å²	135	136.4 Å²	136.4	83%	0.828	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	43.8	175.5	39	0	0	0	0	112.1	R620	R620-T622 PolarHBondContact O-N 2.55Å
623	Y	37	Very low	39.4	Very low	217 Å²	217	141.4 Å²	141.4	85%	0.851	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.8	-4.9	175.4	-87.7	-76.1	0	0	0	114.7	S621	S621-Y623 PolarHBondContact O-N 3.45Å
624	E	35.3	Very low	36.7	Very low	174 Å²	174	142.7 Å²	142.7	81%	0.813	74%	0.744	S	S	*	*	S	Bend	trans	-126.6	9.3	-178.8	-78.1	-177.4	165.7	0	0	116.8
625	E	29	Very low	34.4	Very low	132 Å²	132	142.8 Å²	142.8	62%	0.617	74%	0.744	S	S	*	*			trans	-115.9	36.6	175.7	-138.4	169.5	-162.1	0	0	112.3	R620	R620-E625 IonicContact CZ-OE2 2.67Å; R620-E625 IonicContact NH1-OE1 3.64Å; R620-E625 IonicContact NH1-OE2 2.79Å; R620-E625 PolarHBondContact NH1-OE2 2.82Å
626	K	28	Very low	32.4	Very low	201 Å²	201	145.9 Å²	145.9	87%	0.874	77%	0.767	S	S	*	*			trans	-103.6	61.2	159.1	-84.2	-170.8	177.9	-177.8	0	109
627	L	30.7	Very low	30.7	Very low	163 Å²	163	149.2 Å²	149.2	85%	0.853	78%	0.78	S	S	*	*			trans	-162.6	45.9	158.9	-136	98.4	0	0	0	112.6
628	E	23.8	Very low	29.4	Very low	184 Å²	184	145 Å²	145	86%	0.86	77%	0.774	S	S	*	*			trans	-132.6	107.8	156	-74	-170.9	177.4	0	0	109
629	T	23.2	Very low	28.6	Very low	128 Å²	128	148.2 Å²	148.2	79%	0.785	78%	0.776	S	S	*	*			trans	-79.5	146.5	179.4	42.1	0	0	0	0	111.5
630	S	21.9	Very low	28.1	Very low	109 Å²	109	147.5 Å²	147.5	76%	0.762	77%	0.769	S	S	*	*			trans	60.7	88.8	143.5	64	0	0	0	0	119.1
631	S	22.9	Very low	27.8	Very low	118 Å²	118	143.6 Å²	143.6	83%	0.825	77%	0.769	S	S	*	*			trans	-150.3	83.4	133.3	53.4	0	0	0	0	109.1	S633	S631-S633 VanDerWaalsContact C-N 3.27Å; S631-S633 PolarHBondContact O-N 2.84Å
632	L	22.7	Very low	27.8	Very low	163 Å²	163	149.8 Å²	149.8	85%	0.853	78%	0.781	S	S	*	*			trans	-74.9	80.5	175	-143	85.8	0	0	0	108.2	T634	L632-T634 VanDerWaalsContact C-N 3.33Å; L632-T634 HydrophobicContact CD2-CG2 4.42Å; L632-T634 PolarHBondContact O-N 2.81Å; L632-T634 VanDerWaalsContact O-N 3.13Å
633	S	22	Very low	27.7	Very low	111 Å²	111	149.4 Å²	149.4	78%	0.776	77%	0.773	S	S	*	*			trans	-77.8	91.5	163.1	60.6	0	0	0	0	108.1	S631 S635	S631-S633 VanDerWaalsContact C-N 3.27Å; S631-S633 PolarHBondContact O-N 2.84Å; S633-S635 PolarHBondContact O-N 3.33Å
634	T	23	Very low	27.5	Very low	123 Å²	123	145.9 Å²	145.9	76%	0.755	77%	0.769	S	S	*	*			trans	-59.6	99	164.7	34.2	0	0	0	0	109.4	L632	L632-T634 VanDerWaalsContact C-N 3.33Å; L632-T634 HydrophobicContact CD2-CG2 4.42Å; L632-T634 PolarHBondContact O-N 2.81Å; L632-T634 VanDerWaalsContact O-N 3.13Å
635	S	26	Very low	27.4	Very low	98 Å²	98	147.1 Å²	147.1	69%	0.685	77%	0.772	S	S	*	*			trans	-134.2	103.3	159.2	-162.7	0	0	0	0	109.8	S633 H637	S633-S635 PolarHBondContact O-N 3.33Å; S635-H637 PolarHBondContact O-N 2.71Å
636	N	26.1	Very low	27.5	Very low	150 Å²	150	144.3 Å²	144.3	80%	0.802	77%	0.771	S	S	*	*			trans	-59.9	92.8	174.3	-74.8	-38.2	0	0	0	110.2
637	H	29.2	Very low	27.7	Very low	151 Å²	151	141 Å²	141	70%	0.699	76%	0.761	S	S	*	*			trans	-108.6	55.4	161	-101.2	-73.5	0	0	0	110.4	S635	S635-H637 PolarHBondContact O-N 2.71Å
638	I	27.3	Very low	27.8	Very low	143 Å²	143	142.6 Å²	142.6	73%	0.733	76%	0.761	S	S	*	*			trans	-99.4	117.4	160.4	-69.2	169.4	0	0	0	106.3
639	K	27.9	Very low	28	Very low	183 Å²	183	143 Å²	143	80%	0.796	76%	0.761	S	S	*	*			trans	85.9	78.1	174.9	-59.2	172.4	-177.3	-178.3	0	117
640	Q	30.8	Very low	28.5	Very low	151 Å²	151	143.4 Å²	143.4	71%	0.706	76%	0.756	S	S	*	*			trans	-143.6	35.8	151.4	-142.5	155.8	3.2	0	0	113.4
641	S	31.5	Very low	28.9	Very low	98 Å²	98	143.9 Å²	143.9	69%	0.685	76%	0.757	S	S	*	*	S	Bend	trans	-111.1	9.1	174.5	69.2	0	0	0	0	114.5
642	Y	30.2	Very low	29.5	Very low	214 Å²	214	148.4 Å²	148.4	84%	0.839	76%	0.762	S	S	*	*	S	Bend	trans	-93.2	-3.8	178	-90.7	-82.5	0	0	0	114.8
643	L	33	Very low	29.7	Very low	126 Å²	126	149.9 Å²	149.9	66%	0.66	76%	0.761	S	S	*	*	S	Bend	trans	-108.3	-11.3	-178.1	-81	164.9	0	0	0	116	K645 A646	L643-K645 PolarHBondContact O-N 3.05Å; L643-A646 PolarHBondContact O-N 2.81Å
644	D	33.4	Very low	30.1	Very low	144 Å²	144	153.4 Å²	153.4	77%	0.77	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-0.2	180	-74.2	-14.8	0	0	0	115.1
645	K	32.6	Very low	30.4	Very low	200 Å²	200	156.2 Å²	156.2	87%	0.87	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	-4.9	176.2	-79.8	179.7	-179.5	173	0	114.7	L643	L643-K645 PolarHBondContact O-N 3.05Å
646	A	30.9	Very low	30.4	Very low	72 Å²	72	157.9 Å²	157.9	60%	0.595	78%	0.781	S	S	*	*	S	Bend	trans	-95.8	-15.3	-177.4	0	0	0	0	0	114.9	L643 K648	L643-A646 PolarHBondContact O-N 2.81Å; A646-K648 PolarHBondContact O-N 3.32Å
647	I	32.6	Very low	31.3	Very low	132 Å²	132	156.4 Å²	156.4	68%	0.677	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	8.1	-170.2	-57.1	177.8	0	0	0	113.6	F649	I647-F649 VanDerWaalsContact C-N 3.26Å; I647-F649 PolarHBondContact O-N 2.93Å
648	K	33.2	Very low	31.1	Very low	197 Å²	197	156.8 Å²	156.8	86%	0.857	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	10.6	178.3	-115.5	178.2	-175.3	177.9	0	116	A646	A646-K648 PolarHBondContact O-N 3.32Å
649	F	28.5	Very low	31.1	Very low	192 Å²	192	156.8 Å²	156.8	84%	0.842	79%	0.787	S	S	*	*			trans	-118.5	51.3	179.8	-74.1	-80.5	0	0	0	112.9	I647	I647-F649 VanDerWaalsContact C-N 3.26Å; I647-F649 PolarHBondContact O-N 2.93Å
650	I	33	Very low	30.9	Very low	136 Å²	136	155.3 Å²	155.3	70%	0.697	79%	0.787	S	S	*	*	S	Bend	trans	-125.9	118.9	164.2	-56.1	178.5	0	0	0	108.9
651	P	30.3	Very low	30.7	Very low	119 Å²	119	155.6 Å²	155.6	77%	0.773	79%	0.792	S	S	*	*			trans	-72.9	130.2	-172.1	26.5	-31.8	0	0	0	112.5	K653	P651-K653 PolarHBondContact O-N 3.35Å
652	K	34.5	Very low	30.3	Very low	213 Å²	213	155.3 Å²	155.3	93%	0.926	79%	0.791	S	S	*	*			trans	-74.8	82.3	178.9	-66.5	-179.5	176.5	-173.9	0	111.4
653	K	28.3	Very low	30	Very low	195 Å²	195	150.2 Å²	150.2	85%	0.848	79%	0.786	S	S	*	*			trans	-143.5	84.3	165	-104.7	-170.5	176.9	-176.3	0	109.2	P651	P651-K653 PolarHBondContact O-N 3.35Å
654	Q	29	Very low	29.6	Very low	184 Å²	184	149.6 Å²	149.6	86%	0.86	79%	0.793	S	S	*	*			trans	160.2	102	156.7	-95.1	170.6	-1.8	0	0	106
655	L	31.2	Very low	29.1	Very low	182 Å²	182	148.1 Å²	148.1	95%	0.953	79%	0.793	S	S	*	*			trans	178.5	90.3	145.8	-99.9	130.4	0	0	0	107.3
656	T	25	Very low	28.7	Very low	134 Å²	134	144.4 Å²	144.4	82%	0.822	79%	0.787	S	S	*	*			trans	-82.2	167.4	164	35.4	0	0	0	0	110.4
657	P	44.5	Very low	28.4	Very low	118 Å²	118	148 Å²	148	77%	0.766	80%	0.795	S	S	*	*			trans	-108.3	149.6	-135.3	38.7	-33.1	0	0	0	114.8
658	L	25.6	Very low	27.9	Very low	160 Å²	160	148.2 Å²	148.2	84%	0.838	80%	0.798	S	S	*	*			trans	-135.6	112.3	159	-84.7	164.5	0	0	0	110.2
659	L	27.3	Very low	27.4	Very low	142 Å²	142	144.8 Å²	144.8	74%	0.743	79%	0.789	S	S	*	*			trans	57.2	123.5	141.5	-82.1	139.2	0	0	0	122.3
660	L	23.6	Very low	27.3	Very low	153 Å²	153	142.4 Å²	142.4	80%	0.801	79%	0.785	S	S	*	*			trans	-40.3	137.7	148.4	-70.8	73.6	0	0	0	112.3
661	L	26.1	Very low	27	Very low	156 Å²	156	142 Å²	142	82%	0.817	78%	0.784	S	S	*	*				-176.7	120.5	127.8	-98.1	141.5	0	0	0	111.2
662	S	23.9	Very low	26.9	Very low	93 Å²	93	144.2 Å²	144.2	65%	0.65	78%	0.784	S	S	*	*			trans	52.1	107	142.9	53.7	0	0	0	0	121.2
663	S	23	Very low	26.6	Very low	106 Å²	106	141.3 Å²	141.3	74%	0.741	78%	0.778	S	S	*	*				45.2	94.2	126.9	52.6	0	0	0	0	119.1
664	S	25	Very low	26.6	Very low	114 Å²	114	140.4 Å²	140.4	80%	0.797	77%	0.774	S	S	*	*				-170.8	138.6	120	-83.4	0	0	0	0	110.4	T666	S664-T666 PolarHBondContact O-N 3.35Å
665	S	23.2	Very low	26.7	Very low	113 Å²	113	141.1 Å²	141.1	79%	0.79	77%	0.774	S	S	*	*			trans	-49.5	100.7	-179	49.1	0	0	0	0	113.6
666	T	25.2	Very low	26.8	Very low	121 Å²	121	139.4 Å²	139.4	74%	0.742	77%	0.766	S	S	*	*			trans	-102.4	111	151.9	47.4	0	0	0	0	107.7	S664 N668	S664-T666 PolarHBondContact O-N 3.35Å; T666-N668 VanDerWaalsContact C-N 3.28Å; T666-N668 PolarHBondContact O-N 3.03Å
667	I	24.2	Very low	27.7	Very low	147 Å²	147	138.4 Å²	138.4	75%	0.754	76%	0.764	S	S	*	*			trans	-62.8	88.8	177.1	-64.5	163.6	0	0	0	107.2	N669	I667-N669 PolarHBondContact O-N 2.85Å
668	N	22.2	Very low	28.2	Very low	138 Å²	138	142.2 Å²	142.2	74%	0.738	77%	0.768	S	S	*	*			trans	-80.1	107	165.5	-87.6	-15.4	0	0	0	107.8	T666 D670	T666-N668 VanDerWaalsContact C-N 3.28Å; T666-N668 PolarHBondContact O-N 3.03Å; N668-D670 PolarHBondContact O-N 2.9Å
669	N	22.9	Very low	30.1	Very low	125 Å²	125	140.6 Å²	140.6	67%	0.668	76%	0.755	S	S	*	*			trans	-61	67.2	172.2	-90.2	-35.2	0	0	0	111.5	I667 N671	I667-N669 PolarHBondContact O-N 2.85Å; N669-N671 PolarHBondContact O-N 3.23Å
670	D	25.2	Very low	32.4	Very low	142 Å²	142	135.2 Å²	135.2	76%	0.759	73%	0.729	S	S	*	*			trans	-79.6	72.2	155.5	-79	-32.4	0	0	0	107.9	N668 H672	N668-D670 PolarHBondContact O-N 2.9Å; D670-H672 PolarHBondContact O-N 2.79Å
671	N	26.9	Very low	35.4	Very low	126 Å²	126	129.9 Å²	129.9	67%	0.674	70%	0.701	S	S	*	*			trans	-68.3	68	158.6	-80.5	-36.6	0	0	0	108.2	N669 L673	N669-N671 PolarHBondContact O-N 3.23Å; N671-L673 PolarHBondContact O-N 3.14Å
672	H	28.1	Very low	38.5	Very low	167 Å²	167	122.5 Å²	122.5	77%	0.773	66%	0.663	S	S	*	*			trans	-53.6	90.1	137.1	-107.3	-78.8	0	0	0	105	D670 K674	D670-H672 PolarHBondContact O-N 2.79Å; H672-K674 PolarHBondContact O-N 2.81Å
673	L	29.2	Very low	41.7	Very low	152 Å²	152	119 Å²	119	80%	0.796	64%	0.636	S	S	*	*			trans	-55.3	79.9	154.9	-78.9	156.4	0	0	0	105.2	N671 K675	N671-L673 PolarHBondContact O-N 3.14Å; L673-K675 PolarHBondContact O-N 2.72Å
674	K	27.7	Very low	45	Very low	176 Å²	176	115 Å²	115	77%	0.765	61%	0.607	S	S	*	*			trans	-44.5	102.3	144.7	-78.2	179.5	179.1	172.8	0	101.3	H672 N676	H672-K674 PolarHBondContact O-N 2.81Å; K674-N676 PolarHBondContact O-N 3.23Å
675	K	30.4	Very low	48.1	Very low	199 Å²	199	112.2 Å²	112.2	87%	0.865	58%	0.582	S	S	*	*			trans	-51.2	100.3	165.5	-91.4	176.9	174.8	169.5	0	102.6	L673 S677	L673-K675 PolarHBondContact O-N 2.72Å; K675-S677 VanDerWaalsContact C-N 3.26Å; K675-S677 PolarHBondContact O-N 3.23Å
676	N	33.3	Very low	50.8	Low	146 Å²	146	110.4 Å²	110.4	78%	0.781	57%	0.567	S	S	*	*			trans	-52.4	107.2	173.3	-82.5	-17.6	0	0	0	102.7	K674 K678	K674-N676 PolarHBondContact O-N 3.23Å; N676-K678 PolarHBondContact O-N 3.1Å
677	S	44.4	Very low	52.6	Low	112 Å²	112	109 Å²	109	78%	0.783	55%	0.554	S	S	*	*			trans	-50.7	113.6	174.2	179	0	0	0	0	103.3	K675 K679	K675-S677 VanDerWaalsContact C-N 3.26Å; K675-S677 PolarHBondContact O-N 3.23Å; S677-K679 WeakPolarHBondContact O-CA 3.34Å; S677-K679 PolarHBondContact O-N 3.46Å
678	K	55.8	Low	53.8	Low	198 Å²	198	107.1 Å²	107.1	86%	0.861	55%	0.552	S	S	*	*			trans	-57.8	96	-168	-162.1	-178.9	-176.3	-171.2	0	106.1	N676 S680	N676-K678 PolarHBondContact O-N 3.1Å; K678-S680 PolarHBondContact O-N 2.95Å
679	K	64.2	Low	54.9	Low	127 Å²	127	105 Å²	105	55%	0.552	55%	0.553	S	S	*	*			trans	-66.7	134.5	-169	-169.6	170.5	175.6	-175.1	0	106.1	R615 S677 N681 H707	R615-K679 PolarHBondContact NH1-O 2.67Å; R615-K679 VanDerWaalsContact NH1-O 3.1Å; S677-K679 WeakPolarHBondContact O-CA 3.34Å; S677-K679 PolarHBondContact O-N 3.46Å; K679-N681 PolarHBondContact O-N 2.83Å; K679-H707 WeakPolarHBondContact CE-CD2 3.36Å
680	S	76.7	Confident	55.8	Low	29 Å²	29	104 Å²	104	20%	0.203	55%	0.552	C	S	.	*			trans	-55	140.3	-173.6	52.8	0	0	0	0	110.7	R615 K678 L682 H707	R615-S680 PolarHBondContact NH1-O 2.95Å; K678-S680 PolarHBondContact O-N 2.95Å; S680-L682 PolarHBondContact O-N 3.09Å; S680-H707 PolarHBondContact O-CE1 2.01Å; S680-H707 VanDerWaalsContact O-CE1 3.23Å; S680-H707 PolarHBondContact O-ND1 3.09Å
681	N	86.6	Confident	56.4	Low	41 Å²	41	102.1 Å²	102.1	22%	0.219	54%	0.541	C	S	.	.	S	Bend	trans	-80.8	14.8	175.8	-67.2	-34.2	0	0	0	112.2	E549 L611 D612 K679	E549-N681 HydrophobicContact CG-CB 4.21Å; E549-N681 PolarHBondContact OE1-ND2 3.34Å; L611-N681 CarbonylContact C-O 3.5Å; L611-N681 WeakPolarHBondContact CA-O 3.45Å; L611-N681 HydrophobicContact CD2-CB 4.42Å; D612-N681 PolarHBondContact N-O 3.5Å; K679-N681 PolarHBondContact O-N 2.83Å
682	L	91	Very high	56.6	Low	0 Å²	0	105 Å²	105	0%	0	55%	0.55	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	135.8	-177.3	-62.5	174.1	0	0	0	109.8	I546 E549 H553 V609 K610 L611 S680 H707 P708 V714	I546-L682 HydrophobicContact CG1-CD2 4.04Å; E549-L682 HydrophobicContact CB-CD1 4.31Å; E549-L682 HydrophobicContact CB-CD2 3.74Å; E549-L682 HydrophobicContact CB-CG 3.96Å; H553-L682 HydrophobicContact CB-CD1 3.95Å; V609-L682 HydrophobicContact CB-CB 4.28Å; V609-L682 HydrophobicContact CB-CD2 4.33Å; V609-L682 HydrophobicContact CG1-CB 4.4Å; V609-L682 HydrophobicContact CG2-CD1 4.28Å; V609-L682 HydrophobicContact CG2-CD2 3.93Å; K610-L682 WeakPolarHBondContact O-CA 3.42Å; L611-L682 HydrophobicContact CD2-CD2 4.44Å; S680-L682 PolarHBondContact O-N 3.09Å; L682-H707 PolarHBondContact O-ND1 2.89Å; L682-P708 HydrophobicContact CB-CG 3.94Å; L682-P708 HydrophobicContact CD1-CG 4.45Å; L682-P708 VanDerWaalsContact O-CD 3.24Å; L682-P708 WeakPolarHBondContact O-CD 3.44Å; L682-V714 HydrophobicContact CD1-CG2 3.98Å
683	I	91.2	Very high	57.2	Low	19 Å²	19	102.6 Å²	102.6	10%	0.097	55%	0.552	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.9	139.5	170.1	-59	174.9	0	0	0	108.3	V609 K610 D612 S705 I706	V609-I683 CarbonylContact C-O 3.58Å; V609-I683 VanDerWaalsContact CA-O 3.26Å; V609-I683 WeakPolarHBondContact CA-O 3.16Å; K610-I683 HydrophobicContact CG-CB 4.45Å; K610-I683 PolarHBondContact N-O 3.29Å; K610-I683 PolarHBondContact O-N 3.39Å; D612-I683 HydrophobicContact CB-CD1 3.65Å; D612-I683 HydrophobicContact CB-CG1 3.79Å; D612-I683 VanDerWaalsContact CG-CD1 3.47Å; D612-I683 WeakPolarHBondContact OD1-CD1 3.3Å; I683-S705 WeakPolarHBondContact CD1-OG 3.15Å; I683-I706 WeakPolarHBondContact CA-O 3.3Å
684	I	92.3	Very high	57.6	Low	23 Å²	23	99.4 Å²	99.4	12%	0.118	54%	0.542	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	129.7	172.9	-62.3	179.8	0	0	0	109.9	V607 T686 I706 P708	V607-I684 HydrophobicContact CG1-CB 3.9Å; V607-I684 HydrophobicContact CG1-CD1 3.96Å; V607-I684 HydrophobicContact CG1-CG1 3.64Å; V607-I684 HydrophobicContact CG1-CG2 3.28Å; I684-T686 HydrophobicContact CG2-CG2 4.08Å; I684-T686 PolarHBondContact O-N 3.41Å; I684-I706 HydrophobicContact CD1-CB 4.5Å; I684-I706 HydrophobicContact CD1-CG2 3.75Å; I684-I706 HydrophobicContact CG1-CG2 4.46Å; I684-I706 PolarHBondContact N-O 3.26Å; I684-P708 HydrophobicContact CG1-CB 4.28Å
685	I	88.5	Confident	58	Low	55 Å²	55	97.3 Å²	97.3	28%	0.282	54%	0.538	S	S	.	.			trans	-79.5	103.2	168	-55.4	179.2	0	0	0	107.1	Q608 K610	Q608-I685 HydrophobicContact CG-CD1 4Å; Q608-I685 PolarHBondContact O-N 3.41Å; K610-I685 HydrophobicContact CB-CD1 4.04Å; K610-I685 HydrophobicContact CB-CG1 4.03Å; K610-I685 HydrophobicContact CD-CG1 4.13Å; K610-I685 HydrophobicContact CG-CD1 4.43Å; K610-I685 HydrophobicContact CG-CG1 3.91Å
686	T	80.1	Confident	58	Low	76 Å²	76	96.5 Å²	96.5	47%	0.466	54%	0.542	S	S	.	.			trans	-85.6	118.1	167.9	48.9	0	0	0	0	108.4	I684 I706	I684-T686 HydrophobicContact CG2-CG2 4.08Å; I684-T686 PolarHBondContact O-N 3.41Å; T686-I706 HydrophobicContact CG2-CD1 4.45Å
687	N	63	Low	57.9	Low	90 Å²	90	97 Å²	97	48%	0.481	54%	0.542	S	S	.	.			trans	-72.4	132.4	165.2	-75.1	-15.1	0	0	0	107.6	A689 T690	N687-A689 PolarHBondContact O-N 3.36Å; N687-A689 VanDerWaalsContact O-N 3.09Å; N687-T690 PolarHBondContact O-N 3.13Å; N687-T690 PolarHBondContact O-OG1 3.25Å
688	P	50.1	Low	57.3	Low	109 Å²	109	101 Å²	101	71%	0.708	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-54.9	-30.8	178	-24.7	32.2	0	0	0	112.9	T690 I691	P688-T690 VanDerWaalsContact C-N 3.26Å; P688-T690 PolarHBondContact O-N 2.84Å; P688-I691 PolarHBondContact O-N 3.45Å
689	A	44.6	Very low	56.2	Low	93 Å²	93	97.9 Å²	97.9	77%	0.769	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-66	-20.1	179.8	0	0	0	0	0	114.6	N687	N687-A689 PolarHBondContact O-N 3.36Å; N687-A689 VanDerWaalsContact O-N 3.09Å
690	T	42	Very low	54.7	Low	103 Å²	103	97.5 Å²	97.5	63%	0.632	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-92.4	4	179.2	48.7	0	0	0	0	113.9	N687 P688 H692	N687-T690 PolarHBondContact O-N 3.13Å; N687-T690 PolarHBondContact O-OG1 3.25Å; P688-T690 VanDerWaalsContact C-N 3.26Å; P688-T690 PolarHBondContact O-N 2.84Å; T690-H692 VanDerWaalsContact C-N 3.28Å; T690-H692 PolarHBondContact O-N 3.08Å
691	I	37.5	Very low	53.1	Low	104 Å²	104	103.6 Å²	103.6	53%	0.533	58%	0.579	S	S	.	*			trans	-81.2	-4.8	-178.2	-63.9	177.7	0	0	0	112.5	P688 S693	P688-I691 PolarHBondContact O-N 3.45Å; I691-S693 PolarHBondContact O-N 2.97Å
692	H	32	Very low	51.1	Low	185 Å²	185	106.9 Å²	106.9	86%	0.856	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	9.9	-167.1	-120.4	-72.1	0	0	0	118.6	T690	T690-H692 VanDerWaalsContact C-N 3.28Å; T690-H692 PolarHBondContact O-N 3.08Å
693	S	41.2	Very low	49.3	Very low	118 Å²	118	114.8 Å²	114.8	83%	0.825	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146.7	6.7	176.5	64.2	0	0	0	0	118.4	I691	I691-S693 PolarHBondContact O-N 2.97Å
694	S	37.5	Very low	48.1	Very low	84 Å²	84	119.4 Å²	119.4	59%	0.587	66%	0.664	S	S	*	*	S	Bend	trans	-152.7	122	167.9	61	0	0	0	0	111.2
695	I	34.7	Very low	47.1	Very low	132 Å²	132	120.5 Å²	120.5	68%	0.677	67%	0.674	S	S	*	*			trans	97.1	81.6	169.7	-49.8	163.8	0	0	0	113.9	M697	I695-M697 HydrophobicContact CG2-CB 3.81Å; I695-M697 HydrophobicContact CG2-CE 4.45Å; I695-M697 HydrophobicContact CG2-CG 3.15Å; I695-M697 PolarHBondContact O-N 3.01Å
696	L	31.4	Very low	47	Very low	183 Å²	183	122.5 Å²	122.5	96%	0.958	68%	0.684	S	S	*	*			trans	-72	77.1	154.6	-158.2	97.5	0	0	0	108.4
697	M	30.4	Very low	47.4	Very low	156 Å²	156	120.5 Å²	120.5	77%	0.768	67%	0.669	S	S	*	*			trans	-95.3	123.7	166.9	-77.5	-77.3	159.8	0	0	108.5	I695	I695-M697 HydrophobicContact CG2-CB 3.81Å; I695-M697 HydrophobicContact CG2-CE 4.45Å; I695-M697 HydrophobicContact CG2-CG 3.15Å; I695-M697 PolarHBondContact O-N 3.01Å
698	K	31.5	Very low	48.8	Very low	197 Å²	197	116.7 Å²	116.7	86%	0.857	65%	0.65	S	S	*	*			trans	-47.7	136.8	169	-89.3	179.3	173.8	177	0	109.2	N700	K698-N700 PolarHBondContact O-N 3.35Å
699	P	34	Very low	50.8	Low	132 Å²	132	113.7 Å²	113.7	86%	0.857	63%	0.631	S	S	*	*			trans	-66.4	97.8	-179.4	26.3	-31.5	0	0	0	109.1
700	N	32.5	Very low	53.1	Low	118 Å²	118	113 Å²	113	63%	0.631	61%	0.614	S	S	*	*			trans	-80.1	125.2	164.4	-164.6	1.7	0	0	0	107.3	K698 N702	K698-N700 PolarHBondContact O-N 3.35Å; N700-N702 PolarHBondContact O-N 2.86Å
701	N	42	Very low	55.5	Low	158 Å²	158	110.6 Å²	110.6	85%	0.845	60%	0.602	S	S	*	*	S	Bend	trans	-72.9	30.5	-167	-155.8	15.6	0	0	0	114.4
702	N	45	Very low	58.3	Low	109 Å²	109	108 Å²	108	58%	0.583	59%	0.587	S	S	*	*	S	Bend	trans	-100.8	128.9	167.3	-76.6	-18.2	0	0	0	107.2	N700 N704	N700-N702 PolarHBondContact O-N 2.86Å; N702-N704 WeakPolarHBondContact CB-OD1 3.26Å; N702-N704 PolarHBondContact O-N 2.83Å; N702-N704 PolarHBondContact O-OD1 3.37Å
703	N	53.6	Low	61.4	Low	166 Å²	166	99.1 Å²	99.1	89%	0.888	55%	0.546	S	S	*	.			trans	-55.4	82.4	167.8	-76.8	-28.5	0	0	0	109.4	S705	N703-S705 PolarHBondContact O-N 2.77Å
704	N	66.2	Low	64	Low	117 Å²	117	93.5 Å²	93.5	63%	0.626	51%	0.507	S	S	*	.			trans	-79.1	71.9	-174.8	-77.3	-15.7	0	0	0	108.2	N702 I706	N702-N704 WeakPolarHBondContact CB-OD1 3.26Å; N702-N704 PolarHBondContact O-N 2.83Å; N702-N704 PolarHBondContact O-OD1 3.37Å; N704-I706 WeakPolarHBondContact O-CG1 3.43Å; N704-I706 PolarHBondContact O-N 3.47Å
705	S	71.9	Confident	66.8	Low	45 Å²	45	91.3 Å²	91.3	32%	0.315	49%	0.486	S	S	.	.			trans	-52.8	109.4	168.5	-68.2	0	0	0	0	109.1	I683 N703 H707	I683-S705 WeakPolarHBondContact CD1-OG 3.15Å; N703-S705 PolarHBondContact O-N 2.77Å; S705-H707 PolarHBondContact O-CD2 2.94Å; S705-H707 PolarHBondContact O-N 2.94Å
706	I	86	Confident	69.7	Low	97 Å²	97	87.1 Å²	87.1	50%	0.497	46%	0.462	S	S	.	.			trans	-78.1	113.6	179.7	-52.3	176	0	0	0	107.7	I683 I684 T686 N704	I683-I706 WeakPolarHBondContact CA-O 3.3Å; I684-I706 HydrophobicContact CD1-CB 4.5Å; I684-I706 HydrophobicContact CD1-CG2 3.75Å; I684-I706 HydrophobicContact CG1-CG2 4.46Å; I684-I706 PolarHBondContact N-O 3.26Å; T686-I706 HydrophobicContact CG2-CD1 4.45Å; N704-I706 WeakPolarHBondContact O-CG1 3.43Å; N704-I706 PolarHBondContact O-N 3.47Å
707	H	88.3	Confident	72.6	Confident	34 Å²	34	79.7 Å²	79.7	16%	0.157	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-89.8	142.6	176.4	-68.1	-82.2	0	0	0	110.5	D612 R615 K679 S680 L682 S705	D612-H707 IonicContact OD2-CE1 3.87Å; R615-H707 PolarHBondContact NH2-CE1 3.35Å; R615-H707 PolarHBondContact NH2-NE2 2.83Å; K679-H707 WeakPolarHBondContact CE-CD2 3.36Å; S680-H707 PolarHBondContact O-CE1 2.01Å; S680-H707 VanDerWaalsContact O-CE1 3.23Å; S680-H707 PolarHBondContact O-ND1 3.09Å; L682-H707 PolarHBondContact O-ND1 2.89Å; S705-H707 PolarHBondContact O-CD2 2.94Å; S705-H707 PolarHBondContact O-N 2.94Å
708	P	92.3	Very high	75.3	Confident	11 Å²	11	77.9 Å²	77.9	7%	0.071	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-66.5	140.5	179.9	28.7	-35.2	0	0	0	111.6	V609 L682 I684 V714	V609-P708 HydrophobicContact CG1-CG 4.31Å; L682-P708 HydrophobicContact CB-CG 3.94Å; L682-P708 HydrophobicContact CD1-CG 4.45Å; L682-P708 VanDerWaalsContact O-CD 3.24Å; L682-P708 WeakPolarHBondContact O-CD 3.44Å; I684-P708 HydrophobicContact CG1-CB 4.28Å; P708-V714 HydrophobicContact CB-CG1 3.52Å; P708-V714 HydrophobicContact CG-CG1 3.93Å
709	S	92.5	Very high	77.9	Confident	45 Å²	45	69.6 Å²	69.6	32%	0.315	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-83.2	159.8	174.9	67.9	0	0	0	0	111.7	H553 S711 Q712	H553-S709 PolarHBondContact CE1-O 3.06Å; H553-S709 PolarHBondContact NE2-O 3.43Å; S709-S711 PolarHBondContact O-N 3.47Å; S709-S711 VanDerWaalsContact O-N 3.1Å; S709-S711 PolarHBondContact OG-OG 3.36Å; S709-Q712 PolarHBondContact O-N 3.05Å; S709-Q712 PolarHBondContact OG-OE1 3.05Å
710	L	93.6	Very high	80.4	Confident	79 Å²	79	66 Å²	66	41%	0.414	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	2.4	173.3	-71.8	175.8	0	0	0	113.9	V557 Q560	V557-L710 HydrophobicContact CG2-CD2 4.41Å; Q560-L710 HydrophobicContact CB-CB 4.27Å; Q560-L710 HydrophobicContact CB-CD1 4.34Å; Q560-L710 HydrophobicContact CG-CB 4.15Å; Q560-L710 HydrophobicContact CG-CD1 4.29Å
711	S	92.5	Very high	82.6	Confident	53 Å²	53	66.1 Å²	66.1	37%	0.371	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	4.5	169.2	34.9	0	0	0	0	112.8	S709	S709-S711 PolarHBondContact O-N 3.47Å; S709-S711 VanDerWaalsContact O-N 3.1Å; S709-S711 PolarHBondContact OG-OG 3.36Å
712	Q	95.6	Very high	84.7	Confident	48 Å²	48	65.1 Å²	65.1	22%	0.224	33%	0.331	C	S	.	.	S	Bend	trans	-122.2	134.1	179.3	-71.3	165.1	-46.7	0	0	110.1	H553 V557 N605 V607 S709	H553-Q712 PolarHBondContact NE2-O 2.73Å; V557-Q712 VanDerWaalsContact CG2-O 3.31Å; V557-Q712 WeakPolarHBondContact CG2-O 3.27Å; N605-Q712 HydrophobicContact CB-CG 4.34Å; N605-Q712 VanDerWaalsContact O-CA 3.28Å; N605-Q712 WeakPolarHBondContact O-CA 3.39Å; N605-Q712 WeakPolarHBondContact O-CB 3.25Å; V607-Q712 HydrophobicContact CG2-CB 4.27Å; V607-Q712 HydrophobicContact CG2-CG 4.19Å; S709-Q712 PolarHBondContact O-N 3.05Å; S709-Q712 PolarHBondContact OG-OE1 3.05Å
713	L	97.3	Very high	86.8	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	143.7	167.7	-72.6	174.8	0	0	0	109.4	A478 S482 V557 L598 M601 Y602 N605 L606 V607	A478-L713 HydrophobicContact CB-CB 4.43Å; A478-L713 HydrophobicContact CB-CD2 4.46Å; S482-L713 WeakPolarHBondContact OG-CD2 3.44Å; V557-L713 HydrophobicContact CB-CD2 4.33Å; V557-L713 HydrophobicContact CG1-CD2 3.9Å; L598-L713 HydrophobicContact CD1-CD1 3.96Å; L598-L713 HydrophobicContact CD1-CD2 4.05Å; L598-L713 HydrophobicContact CD1-CG 4.31Å; M601-L713 HydrophobicContact CB-CD1 4.37Å; M601-L713 HydrophobicContact CB-CG 4.43Å; Y602-L713 HydrophobicContact CD2-CD1 4.46Å; N605-L713 PolarHBondContact O-N 2.89Å; N605-L713 VanDerWaalsContact O-N 3.15Å; L606-L713 HydrophobicContact CD1-CB 3.65Å; V607-L713 PolarHBondContact N-O 3.34Å
714	V	96.1	Very high	88.7	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	139.8	-177.4	-56.4	0	0	0	0	112.1	A478 M550 H553 N554 V607 V609 L682 P708	A478-V714 WeakPolarHBondContact CB-O 3.31Å; M550-V714 HydrophobicContact CB-CG2 4.45Å; M550-V714 HydrophobicContact CG-CG2 3.95Å; M550-V714 VanDerWaalsContact CG-O 3.27Å; M550-V714 WeakPolarHBondContact CG-O 3.46Å; H553-V714 HydrophobicContact CB-CG2 3.84Å; H553-V714 WeakPolarHBondContact CD2-CG2 3.43Å; N554-V714 PolarHBondContact ND2-O 3.03Å; N554-V714 PolarHBondContact OD1-N 2.7Å; V607-V714 WeakPolarHBondContact O-CA 3.31Å; V609-V714 HydrophobicContact CG1-CB 3.75Å; V609-V714 HydrophobicContact CG1-CG1 3.72Å; V609-V714 HydrophobicContact CG2-CB 3.96Å; V609-V714 HydrophobicContact CG2-CG2 4.33Å; L682-V714 HydrophobicContact CD1-CG2 3.98Å; P708-V714 HydrophobicContact CB-CG1 3.52Å; P708-V714 HydrophobicContact CG-CG1 3.93Å
715	Y	96.4	Very high	90	Very high	37 Å²	37	47.4 Å²	47.4	15%	0.145	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	160.9	175.5	73.6	-78.2	0	0	0	109	G473 P475 L606 V607 Q608 V609 E717	G473-Y715 WeakPolarHBondContact O-CB 3.23Å; P475-Y715 HydrophobicContact CG-CD1 4.29Å; P475-Y715 HydrophobicContact CG-CD2 4.06Å; P475-Y715 HydrophobicContact CG-CE2 4.41Å; P475-Y715 HydrophobicContact CG-CG 3.99Å; L606-Y715 HydrophobicContact CD1-CD1 3.76Å; L606-Y715 HydrophobicContact CD1-CE1 4.33Å; L606-Y715 HydrophobicContact CD2-CD1 3.87Å; L606-Y715 HydrophobicContact CD2-CE1 3.71Å; L606-Y715 HydrophobicContact CG-CD1 3.51Å; L606-Y715 HydrophobicContact CG-CE1 3.56Å; V607-Y715 VanDerWaalsContact C-CE1 3.46Å; V607-Y715 WeakPolarHBondContact O-CD1 3.5Å; V607-Y715 PolarHBondContact O-N 3.08Å; V607-Y715 VanDerWaalsContact O-N 3.15Å; Q608-Y715 CarbonylContact C-O 3.54Å; Q608-Y715 VanDerWaalsContact CA-O 3.23Å; Q608-Y715 WeakPolarHBondContact CA-O 3.44Å; Q608-Y715 HydrophobicContact CB-CE1 4.05Å; Q608-Y715 HydrophobicContact CB-CE2 4.08Å; Q608-Y715 HydrophobicContact CG-CD2 4.31Å; Q608-Y715 HydrophobicContact CG-CE2 3.91Å; V609-Y715 WeakPolarHBondContact CG2-O 2.83Å; V609-Y715 PolarHBondContact N-O 3.34Å; Y715-E717 WeakPolarHBondContact CD2-O 3.47Å
716	Y	95.2	Very high	91.1	Very high	44 Å²	44	48.7 Å²	48.7	17%	0.173	24%	0.241	C	C	.	.			trans	-126.4	-19.7	178	64.5	-95.7	0	0	0	113.5	G473 I546 R547 M550 Q608 V609	G473-Y716 PolarHBondContact O-N 3.17Å; I546-Y716 HydrophobicContact CB-CD1 4.46Å; I546-Y716 HydrophobicContact CD1-CD1 4.32Å; I546-Y716 HydrophobicContact CD1-CG 3.94Å; I546-Y716 HydrophobicContact CG1-CD1 3.96Å; I546-Y716 HydrophobicContact CG1-CG 4.07Å; I546-Y716 HydrophobicContact CG2-CD1 3.86Å; I546-Y716 HydrophobicContact CG2-CD2 3.81Å; I546-Y716 HydrophobicContact CG2-CE1 3.89Å; I546-Y716 HydrophobicContact CG2-CE2 3.85Å; I546-Y716 HydrophobicContact CG2-CG 3.82Å; R547-Y716 HydrophobicContact CB-CE1 3.98Å; R547-Y716 HydrophobicContact CG-CE1 4.4Å; M550-Y716 HydrophobicContact CB-CD1 4.18Å; M550-Y716 HydrophobicContact CB-CE1 4.43Å; M550-Y716 HydrophobicContact CE-CE1 4.05Å; M550-Y716 HydrophobicContact CG-CD1 4.28Å; M550-Y716 HydrophobicContact SD-CD1 3.45Å; M550-Y716 WeakPolarHBondContact SD-CD1 2.97Å; M550-Y716 HydrophobicContact SD-CE1 3.57Å; M550-Y716 VanDerWaalsContact SD-CE1 3.57Å; Q608-Y716 PolarHBondContact NE2-O 3.34Å; Q608-Y716 VanDerWaalsContact NE2-O 3.1Å; V609-Y716 WeakPolarHBondContact O-CB 3.11Å
717	E	92.7	Very high	91.3	Very high	28 Å²	28	47.7 Å²	47.7	13%	0.131	24%	0.242	C	C	.	.			trans	-104	124	-178.9	-172.2	172.2	178	0	0	110.1	I259 K472 G473 I474 Y715	I259-E717 HydrophobicContact CD1-CG 3.98Å; I259-E717 WeakPolarHBondContact CD1-OE1 2.75Å; K472-E717 VanDerWaalsContact CD-OE1 3.31Å; K472-E717 WeakPolarHBondContact CD-OE1 3.06Å; K472-E717 WeakPolarHBondContact CD-OE2 3.35Å; K472-E717 IonicContact NZ-OE1 2.94Å; K472-E717 PolarHBondContact NZ-OE1 3.01Å; K472-E717 IonicContact NZ-OE2 2.94Å; G473-E717 PolarHBondContact N-OE2 3.1Å; G473-E717 PolarHBondContact O-N 2.73Å; I474-E717 HydrophobicContact CG2-CB 4.06Å; I474-E717 HydrophobicContact CG2-CG 4.2Å; Y715-E717 WeakPolarHBondContact CD2-O 3.47Å
718	Y	86.6	Confident	91.3	Very high	117 Å²	117	48.4 Å²	48.4	46%	0.459	24%	0.244	S	C	.	.			trans	-81.3	128.2	172.5	-177.3	-98.7	0	0	0	109.8
719	I	86.3	Confident	91.1	Very high	23 Å²	23	52.8 Å²	52.8	12%	0.118	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-115.6	134.5	173.5	-168.8	161	0	0	0	109.1	F261 I474 E721 A723 F724	F261-I719 HydrophobicContact CE2-CD1 3.9Å; F261-I719 HydrophobicContact CZ-CD1 3.57Å; I474-I719 HydrophobicContact CB-CG2 4.26Å; I474-I719 HydrophobicContact CD1-CD1 4.21Å; I474-I719 HydrophobicContact CG2-CB 3.99Å; I474-I719 HydrophobicContact CG2-CD1 4.5Å; I474-I719 HydrophobicContact CG2-CG2 4.07Å; I719-E721 PolarHBondContact O-N 3.09Å; I719-A723 HydrophobicContact CD1-CB 4.05Å; I719-A723 HydrophobicContact CG1-CB 3.77Å; I719-F724 HydrophobicContact CD1-CE1 4.48Å; I719-F724 HydrophobicContact CD1-CE2 4.03Å; I719-F724 HydrophobicContact CD1-CZ 3.8Å; I719-F724 HydrophobicContact CG1-CE2 4.43Å; I719-F724 HydrophobicContact CG2-CE2 4.15Å
720	N	85.3	Confident	90.7	Very high	58 Å²	58	54.5 Å²	54.5	31%	0.31	28%	0.275	S	S	.	.			trans	-67	130.4	171.7	-175.8	-17.7	0	0	0	108.5	K722 A723	N720-K722 PolarHBondContact O-N 3.43Å; N720-K722 PolarHBondContact OD1-N 3.09Å; N720-A723 WeakPolarHBondContact O-CB 3.16Å; N720-A723 PolarHBondContact O-N 3.46Å
721	E	80.1	Confident	90.3	Very high	119 Å²	119	52.7 Å²	52.7	56%	0.556	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-58	-24.4	177.3	-57.7	179	175.9	0	0	113.4	R452 I719 A723	R452-E721 WeakPolarHBondContact CD-O 3.45Å; R452-E721 IonicContact CZ-OE2 3.31Å; R452-E721 PolarHBondContact NH1-O 3.14Å; R452-E721 IonicContact NH1-OE2 3.48Å; R452-E721 PolarHBondContact NH1-OE2 2.94Å; R452-E721 VanDerWaalsContact NH1-OE2 3.09Å; I719-E721 PolarHBondContact O-N 3.09Å; E721-A723 PolarHBondContact O-N 2.81Å
722	K	85.9	Confident	90	Very high	138 Å²	138	52.3 Å²	52.3	60%	0.6	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-67.6	-14.8	174.3	-65.9	-174.2	180	-177.2	0	113.1	N720 F724 C725	N720-K722 PolarHBondContact O-N 3.43Å; N720-K722 PolarHBondContact OD1-N 3.09Å; K722-F724 PolarHBondContact O-N 2.91Å; K722-C725 VanDerWaalsContact CA-SG 3.55Å; K722-C725 VanDerWaalsContact O-CB 3.27Å; K722-C725 WeakPolarHBondContact O-CB 3.24Å; K722-C725 PolarHBondContact O-N 3.01Å; K722-C725 VanDerWaalsContact O-N 3.11Å; K722-C725 PolarHBondContact O-SG 3.27Å
723	A	88.4	Confident	89.7	Confident	8 Å²	8	50.4 Å²	50.4	7%	0.066	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-70.1	-11.6	-177.9	0	0	0	0	0	113.4	F261 I719 N720 E721 Y728	F261-A723 HydrophobicContact CD2-CB 3.69Å; F261-A723 HydrophobicContact CE2-CB 3.44Å; F261-A723 VanDerWaalsContact CE2-CB 3.44Å; F261-A723 HydrophobicContact CZ-CB 4.48Å; I719-A723 HydrophobicContact CD1-CB 4.05Å; I719-A723 HydrophobicContact CG1-CB 3.77Å; N720-A723 WeakPolarHBondContact O-CB 3.16Å; N720-A723 PolarHBondContact O-N 3.46Å; E721-A723 PolarHBondContact O-N 2.81Å; A723-Y728 VanDerWaalsContact O-CD2 3.31Å; A723-Y728 WeakPolarHBondContact O-CD2 3.47Å; A723-Y728 WeakPolarHBondContact O-CE2 3.01Å
724	F	93.7	Very high	89.3	Confident	6 Å²	6	56.1 Å²	56.1	3%	0.026	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-99.7	2.1	173.6	-60.3	-73.2	0	0	0	113.7	R452 W453 I469 I474 Q476 I719 K722 I733 G735	R452-F724 HydrophobicContact CB-CB 3.84Å; W453-F724 HydrophobicContact CB-CB 4.45Å; W453-F724 HydrophobicContact CB-CD1 3.72Å; W453-F724 HydrophobicContact CB-CD2 4.33Å; W453-F724 HydrophobicContact CB-CE1 3.94Å; W453-F724 HydrophobicContact CB-CG 3.92Å; W453-F724 HydrophobicContact CB-CZ 4.34Å; W453-F724 HydrophobicContact CG-CD1 4.17Å; W453-F724 HydrophobicContact CG-CE1 4.07Å; I469-F724 HydrophobicContact CD1-CE1 4Å; I474-F724 HydrophobicContact CD1-CZ 4.14Å; Q476-F724 HydrophobicContact CG-CZ 4.1Å; I719-F724 HydrophobicContact CD1-CE1 4.48Å; I719-F724 HydrophobicContact CD1-CE2 4.03Å; I719-F724 HydrophobicContact CD1-CZ 3.8Å; I719-F724 HydrophobicContact CG1-CE2 4.43Å; I719-F724 HydrophobicContact CG2-CE2 4.15Å; K722-F724 PolarHBondContact O-N 2.91Å; F724-I733 HydrophobicContact CD1-CD1 3.83Å; F724-I733 HydrophobicContact CD1-CG1 4.12Å; F724-I733 HydrophobicContact CD1-CG2 3.96Å; F724-I733 HydrophobicContact CE1-CD1 3.82Å; F724-I733 HydrophobicContact CE1-CG1 4.23Å; F724-G735 WeakPolarHBondContact O-CA 3.47Å
725	C	94.3	Very high	89.1	Confident	5 Å²	5	56.5 Å²	56.5	3%	0.034	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-46.7	-179.9	-62.2	0	0	0	0	111.9	K722 G735 T736 C756 R758	K722-C725 VanDerWaalsContact CA-SG 3.55Å; K722-C725 VanDerWaalsContact O-CB 3.27Å; K722-C725 WeakPolarHBondContact O-CB 3.24Å; K722-C725 PolarHBondContact O-N 3.01Å; K722-C725 VanDerWaalsContact O-N 3.11Å; K722-C725 PolarHBondContact O-SG 3.27Å; C725-G735 CarbonylContact O-C 3.09Å; C725-G735 VanDerWaalsContact O-CA 3.3Å; C725-G735 WeakPolarHBondContact O-CA 3.29Å; C725-T736 PolarHBondContact O-N 2.86Å; C725-C756 HydrophobicContact CB-CB 3.69Å; C725-C756 WeakPolarHBondContact CB-SG 3.1Å; C725-C756 WeakPolarHBondContact SG-CB 3.4Å; C725-C756 CovalentContact SG-SG 2Å; C725-C756 PolarHBondContact SG-SG 3.49Å; C725-R758 PolarHBondContact O-NH2 2.66Å
726	D	93.2	Very high	89.1	Confident	73 Å²	73	54.8 Å²	54.8	39%	0.39	27%	0.273	S	S	.	.	S	Bend	trans	-94.8	152.7	179.7	-60.5	-43.9	0	0	0	110.5	Y728	D726-Y728 HydrophobicContact CB-CE2 4.15Å; D726-Y728 VanDerWaalsContact O-CD2 3.27Å; D726-Y728 WeakPolarHBondContact O-CD2 3.24Å; D726-Y728 PolarHBondContact O-N 3.1Å
727	S	90.7	Very high	89	Confident	76 Å²	76	59.2 Å²	59.2	53%	0.531	29%	0.294	S	S	.	.			trans	-66.9	130.5	173.4	60.5	0	0	0	0	110	I733 L734	S727-I733 CarbonylContact C-O 3.44Å; S727-I733 VanDerWaalsContact CA-O 3.25Å; S727-I733 WeakPolarHBondContact CA-O 3.46Å; S727-L734 WeakPolarHBondContact CB-O 3.43Å
728	Y	89.2	Confident	89.1	Confident	48 Å²	48	60.5 Å²	60.5	19%	0.188	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-122.4	93.2	170	-70.4	-82.7	0	0	0	109.1	F261 A723 D726 F730 Y731 H732 I733	F261-Y728 HydrophobicContact CB-CD1 3.81Å; F261-Y728 HydrophobicContact CB-CE1 3.34Å; F261-Y728 HydrophobicContact CB-CE2 4.41Å; F261-Y728 HydrophobicContact CB-CG 4.5Å; F261-Y728 HydrophobicContact CD2-CD1 4.17Å; F261-Y728 AromaticContact CD2-CD2 3.75Å; F261-Y728 HydrophobicContact CD2-CD2 3.75Å; F261-Y728 HydrophobicContact CD2-CE1 4.05Å; F261-Y728 AromaticContact CD2-CE2 3.61Å; F261-Y728 HydrophobicContact CD2-CE2 3.61Å; F261-Y728 HydrophobicContact CD2-CG 4.03Å; F261-Y728 AromaticContact CD2-CZ 3.75Å; F261-Y728 HydrophobicContact CE2-CD2 4.18Å; F261-Y728 HydrophobicContact CE2-CE2 4.33Å; F261-Y728 HydrophobicContact CG-CD1 4.16Å; F261-Y728 HydrophobicContact CG-CE1 4.05Å; F261-Y728 HydrophobicContact CG-CE2 4.41Å; F261-Y728 HydrophobicContact CG-CG 4.4Å; A723-Y728 VanDerWaalsContact O-CD2 3.31Å; A723-Y728 WeakPolarHBondContact O-CD2 3.47Å; A723-Y728 WeakPolarHBondContact O-CE2 3.01Å; D726-Y728 HydrophobicContact CB-CE2 4.15Å; D726-Y728 VanDerWaalsContact O-CD2 3.27Å; D726-Y728 WeakPolarHBondContact O-CD2 3.24Å; D726-Y728 PolarHBondContact O-N 3.1Å; Y728-F730 VanDerWaalsContact C-N 3.26Å; Y728-F730 PolarHBondContact O-N 2.88Å; Y728-Y731 CarbonylContact O-C 3.57Å; Y728-Y731 PolarHBondContact O-N 2.89Å; Y728-Y731 VanDerWaalsContact O-N 3.07Å; Y728-H732 PolarHBondContact O-N 2.83Å; Y728-I733 HydrophobicContact CD2-CD1 4.48Å; Y728-I733 PolarHBondContact N-O 2.99Å; Y728-I733 PolarHBondContact O-N 2.83Å; Y728-I733 VanDerWaalsContact O-N 3.08Å
729	P	86.7	Confident	89.5	Confident	104 Å²	104	56.2 Å²	56.2	68%	0.675	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-55.1	-39.3	-175.2	-28.6	35.4	0	0	0	113.5	Y731 H732	P729-Y731 VanDerWaalsContact C-N 3.3Å; P729-Y731 PolarHBondContact O-N 3.05Å; P729-H732 PolarHBondContact O-N 3.26Å
730	F	85	Confident	89.9	Confident	81 Å²	81	60.7 Å²	60.7	36%	0.355	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-59.3	-38.6	179.4	-179.5	-94	0	0	0	113.1	P273 I275 N468 Y728	P273-F730 HydrophobicContact CG-CD2 4.37Å; P273-F730 HydrophobicContact CG-CE2 3.95Å; I275-F730 HydrophobicContact CD1-CE2 4.27Å; I275-F730 HydrophobicContact CD1-CZ 3.65Å; N468-F730 VanDerWaalsContact CB-O 3.27Å; N468-F730 WeakPolarHBondContact CB-O 3.14Å; N468-F730 VanDerWaalsContact CG-O 3.25Å; N468-F730 PolarHBondContact ND2-O 3.35Å; Y728-F730 VanDerWaalsContact C-N 3.26Å; Y728-F730 PolarHBondContact O-N 2.88Å
731	Y	85.4	Confident	90.4	Very high	41 Å²	41	58.7 Å²	58.7	16%	0.161	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-93	3.5	175.9	-67.9	-69.9	0	0	0	113.2	F261 N468 K472 Y728 P729 I733	F261-Y731 AromaticContact CD1-CD2 3.74Å; F261-Y731 HydrophobicContact CD1-CD2 3.74Å; F261-Y731 AromaticContact CD1-CE2 3.4Å; F261-Y731 HydrophobicContact CD1-CE2 3.4Å; F261-Y731 VanDerWaalsContact CD1-CE2 3.4Å; F261-Y731 AromaticContact CE1-CD2 3.36Å; F261-Y731 HydrophobicContact CE1-CD2 3.36Å; F261-Y731 AromaticContact CE1-CE2 3.22Å; F261-Y731 HydrophobicContact CE1-CE2 3.22Å; F261-Y731 HydrophobicContact CE1-CG 4.2Å; F261-Y731 AromaticContact CE1-CZ 3.95Å; F261-Y731 AromaticContact CZ-CD2 3.94Å; F261-Y731 HydrophobicContact CZ-CD2 3.94Å; F261-Y731 HydrophobicContact CZ-CE2 4.23Å; N468-Y731 HydrophobicContact CB-CD1 4.21Å; K472-Y731 HydrophobicContact CD-CE1 4.21Å; K472-Y731 VanDerWaalsContact CE-CZ 3.41Å; K472-Y731 WeakPolarHBondContact CE-OH 3.39Å; K472-Y731 HydrophobicContact CG-CD1 4.25Å; K472-Y731 HydrophobicContact CG-CE1 3.79Å; Y728-Y731 CarbonylContact O-C 3.57Å; Y728-Y731 PolarHBondContact O-N 2.89Å; Y728-Y731 VanDerWaalsContact O-N 3.07Å; P729-Y731 VanDerWaalsContact C-N 3.3Å; P729-Y731 PolarHBondContact O-N 3.05Å; Y731-I733 PolarHBondContact O-N 2.9Å
732	H	85.2	Confident	91.1	Very high	45 Å²	45	56.1 Å²	56.1	21%	0.208	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	33.8	-173.6	-53.5	77.3	0	0	0	113.1	V458 G467 N468 Y728 P729	V458-H732 HydrophobicContact CG2-CB 3.57Å; V458-H732 VanDerWaalsContact CG2-CD2 3.44Å; V458-H732 WeakPolarHBondContact CG2-CD2 3.41Å; G467-H732 WeakPolarHBondContact CA-ND1 3.41Å; N468-H732 PolarHBondContact N-ND1 2.78Å; N468-H732 PolarHBondContact OD1-CE1 3.44Å; Y728-H732 PolarHBondContact O-N 2.83Å; P729-H732 PolarHBondContact O-N 3.26Å
733	I	89.4	Confident	91.5	Very high	8 Å²	8	51.4 Å²	51.4	4%	0.041	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-84.4	119.9	172.8	-63.3	169.6	0	0	0	107	F261 F724 S727 Y728 Y731 G735	F261-I733 HydrophobicContact CE2-CD1 3.83Å; F261-I733 HydrophobicContact CZ-CD1 3.93Å; F724-I733 HydrophobicContact CD1-CD1 3.83Å; F724-I733 HydrophobicContact CD1-CG1 4.12Å; F724-I733 HydrophobicContact CD1-CG2 3.96Å; F724-I733 HydrophobicContact CE1-CD1 3.82Å; F724-I733 HydrophobicContact CE1-CG1 4.23Å; S727-I733 CarbonylContact C-O 3.44Å; S727-I733 VanDerWaalsContact CA-O 3.25Å; S727-I733 WeakPolarHBondContact CA-O 3.46Å; Y728-I733 HydrophobicContact CD2-CD1 4.48Å; Y728-I733 PolarHBondContact N-O 2.99Å; Y728-I733 PolarHBondContact O-N 2.83Å; Y728-I733 VanDerWaalsContact O-N 3.08Å; Y731-I733 PolarHBondContact O-N 2.9Å; I733-G735 VanDerWaalsContact C-N 3.32Å
734	L	89.4	Confident	91.7	Very high	119 Å²	119	55.7 Å²	55.7	62%	0.623	32%	0.315	S	S	*	.			trans	-75.1	-22.1	-179.2	-60.9	178.2	0	0	0	113.2	S727	S727-L734 WeakPolarHBondContact CB-O 3.43Å
735	G	92.8	Very high	91.7	Very high	9 Å²	9	56 Å²	56	9%	0.093	32%	0.318	C	S	.	.			trans	81.5	-174	-170.4	0	0	0	0	0	112.3	F724 C725 I733	F724-G735 WeakPolarHBondContact O-CA 3.47Å; C725-G735 CarbonylContact O-C 3.09Å; C725-G735 VanDerWaalsContact O-CA 3.3Å; C725-G735 WeakPolarHBondContact O-CA 3.29Å; I733-G735 VanDerWaalsContact C-N 3.32Å
736	T	95.1	Very high	91.6	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	36%	0.357	C	S	.	.	S	Bend	trans	-106	0.2	179.6	63.6	0	0	0	0	114.7	R452 C725 G738 R739 L754 R758 C795	R452-T736 HydrophobicContact CB-CG2 4.01Å; R452-T736 HydrophobicContact CG-CG2 4.21Å; C725-T736 PolarHBondContact O-N 2.86Å; T736-G738 PolarHBondContact O-N 3.29Å; T736-R739 WeakPolarHBondContact O-CB 3.48Å; T736-R739 WeakPolarHBondContact O-CG 3.41Å; T736-R739 PolarHBondContact O-N 2.96Å; T736-L754 VanDerWaalsContact CB-O 3.24Å; T736-L754 WeakPolarHBondContact CB-O 3.42Å; T736-L754 HydrophobicContact CG2-CD1 4.39Å; T736-L754 VanDerWaalsContact CG2-O 3.3Å; T736-L754 WeakPolarHBondContact CG2-O 3.47Å; T736-L754 PolarHBondContact OG1-O 3.12Å; T736-R758 PolarHBondContact OG1-NH2 2.84Å; T736-C795 WeakPolarHBondContact O-CB 3.35Å
737	K	94	Very high	91.4	Very high	138 Å²	138	68.5 Å²	68.5	60%	0.6	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	135.6	175.8	-70	-171.1	174.8	-175.1	0	111.3	R739	K737-R739 PolarHBondContact O-N 2.83Å
738	G	94	Very high	91.4	Very high	55 Å²	55	68.3 Å²	68.3	57%	0.567	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	3.2	178.6	0	0	0	0	0	115.3	T736 C795	T736-G738 PolarHBondContact O-N 3.29Å; G738-C795 PolarHBondContact N-O 3.33Å
739	R	95.2	Very high	91.5	Very high	27 Å²	27	67.4 Å²	67.4	10%	0.102	36%	0.362	C	S	.	.			trans	-75.6	140.9	178.3	-69.9	-173.2	64.3	179.3	-7.4	111.9	R449 E451 R452 T736 K737 T794 C795	R449-R739 PolarHBondContact O-NH2 3.41Å; E451-R739 PolarHBondContact O-NH1 3.38Å; E451-R739 PolarHBondContact O-NH2 2.95Å; R452-R739 VanDerWaalsContact C-NH1 3.28Å; R452-R739 PolarHBondContact O-NH1 2.64Å; T736-R739 WeakPolarHBondContact O-CB 3.48Å; T736-R739 WeakPolarHBondContact O-CG 3.41Å; T736-R739 PolarHBondContact O-N 2.96Å; K737-R739 PolarHBondContact O-N 2.83Å; R739-T794 CarbonylContact O-C 3.57Å; R739-T794 WeakPolarHBondContact O-CA 3.47Å; R739-C795 PolarHBondContact O-N 2.86Å
740	L	94.8	Very high	91.9	Very high	117 Å²	117	64.2 Å²	64.2	61%	0.613	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	129.5	171.7	-65.2	169.6	0	0	0	110.7	L754 V792 E793 T794	L740-L754 WeakPolarHBondContact O-CD2 3.5Å; L740-V792 HydrophobicContact CD2-CG1 3.34Å; L740-E793 WeakPolarHBondContact CA-O 3.5Å; L740-T794 HydrophobicContact CD2-CG2 3.95Å
741	C	95.9	Very high	92.4	Very high	15 Å²	15	60.4 Å²	60.4	10%	0.101	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	171.6	176.6	69.5	0	0	0	0	110.7	C751 L754 E793	C741-C751 VanDerWaalsContact C-SG 3.5Å; C741-C751 HydrophobicContact CB-CB 3.84Å; C741-C751 WeakPolarHBondContact CB-SG 3.23Å; C741-C751 VanDerWaalsContact SG-CA 3.54Å; C741-C751 WeakPolarHBondContact SG-CB 3.14Å; C741-C751 CovalentContact SG-SG 2.04Å; C741-C751 PolarHBondContact SG-SG 3.48Å; C741-L754 HydrophobicContact CB-CD2 4.04Å; C741-E793 PolarHBondContact N-O 3.06Å
742	N	95.2	Very high	92.9	Very high	66 Å²	66	67.4 Å²	67.4	35%	0.353	35%	0.349	S	S	.	.			trans	-134.5	109	174.9	-178.9	-15.1	0	0	0	110.5	S744 S745 N749 N750 C751 E793	N742-S744 PolarHBondContact O-N 3.47Å; N742-S744 WeakPolarHBondContact OD1-CA 3.45Å; N742-S744 WeakPolarHBondContact OD1-CB 3.31Å; N742-S744 PolarHBondContact OD1-N 2.89Å; N742-S745 PolarHBondContact O-N 3.21Å; N742-S745 PolarHBondContact O-OG 3.45Å; N742-S745 PolarHBondContact OD1-N 3.18Å; N742-N749 PolarHBondContact N-O 3.35Å; N742-N750 VanDerWaalsContact O-CA 3.31Å; N742-N750 WeakPolarHBondContact O-CA 3.34Å; N742-C751 PolarHBondContact N-SG 3.35Å; N742-C751 VanDerWaalsContact N-SG 3.44Å; N742-E793 VanDerWaalsContact CA-OE2 3.29Å; N742-E793 WeakPolarHBondContact CA-OE2 3.24Å
743	S	94	Very high	93.2	Very high	39 Å²	39	68.4 Å²	68.4	27%	0.273	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-28.4	-178.7	63.3	0	0	0	0	113.2	C751 E793	S743-C751 PolarHBondContact N-SG 2.72Å; S743-E793 WeakPolarHBondContact CB-OE1 3.42Å; S743-E793 WeakPolarHBondContact CB-OE2 3.31Å; S743-E793 PolarHBondContact N-OE2 2.98Å; S743-E793 VanDerWaalsContact OG-CD 3.28Å; S743-E793 PolarHBondContact OG-OE1 3.18Å; S743-E793 PolarHBondContact OG-OE2 3.06Å
744	S	92.6	Very high	93.5	Very high	98 Å²	98	68 Å²	68	69%	0.685	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-9.1	179.3	-53.6	0	0	0	0	113.3	N742	N742-S744 PolarHBondContact O-N 3.47Å; N742-S744 WeakPolarHBondContact OD1-CA 3.45Å; N742-S744 WeakPolarHBondContact OD1-CB 3.31Å; N742-S744 PolarHBondContact OD1-N 2.89Å
745	S	93.4	Very high	93.8	Very high	12 Å²	12	62.4 Å²	62.4	8%	0.084	32%	0.322	C	S	.	.			trans	-83.5	142.3	-179.2	69.4	0	0	0	0	112	N742 N749 N750	N742-S745 PolarHBondContact O-N 3.21Å; N742-S745 PolarHBondContact O-OG 3.45Å; N742-S745 PolarHBondContact OD1-N 3.18Å; S745-N749 WeakPolarHBondContact CB-OD1 3.49Å; S745-N749 PolarHBondContact OG-ND2 2.84Å; S745-N749 PolarHBondContact OG-OD1 3.23Å; S745-N750 VanDerWaalsContact O-CB 3.3Å; S745-N750 WeakPolarHBondContact O-CB 3.36Å; S745-N750 PolarHBondContact O-ND2 3.05Å; S745-N750 WeakPolarHBondContact OG-CA 3.24Å; S745-N750 PolarHBondContact OG-N 3.24Å
746	N	92	Very high	93.9	Very high	158 Å²	158	63 Å²	63	85%	0.845	33%	0.325	S	S	*	.	S	Bend	trans	-93.7	0.9	174.5	-70.2	-13.3	0	0	0	113.4
747	Y	90.6	Very high	93.8	Very high	182 Å²	182	68.3 Å²	68.3	71%	0.714	35%	0.353	S	S	*	.	S	Bend	trans	-95	-175.6	-178.3	-57.5	-77.3	0	0	0	111.4	N749 N750	Y747-N749 WeakPolarHBondContact CB-OD1 3.45Å; Y747-N749 PolarHBondContact O-N 3.05Å; Y747-N750 VanDerWaalsContact O-CB 3.26Å; Y747-N750 WeakPolarHBondContact O-CB 3.27Å; Y747-N750 PolarHBondContact O-N 3.1Å
748	M	89.5	Confident	93.7	Very high	72 Å²	72	65 Å²	65	36%	0.355	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-19	-177	-59.2	85.3	91	0	0	114.2	H450 E451 N750	H450-M748 CarbonylContact O-C 3.55Å; H450-M748 VanDerWaalsContact O-O 3.1Å; E451-M748 WeakPolarHBondContact OE1-CE 3.45Å; M748-N750 PolarHBondContact O-N 3.12Å
749	N	92	Very high	93.8	Very high	29 Å²	29	63.9 Å²	63.9	16%	0.155	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-0.9	172.1	62.9	-33.3	0	0	0	114.1	H450 N742 S745 Y747 C751	H450-N749 HydrophobicContact CB-CB 3.89Å; N742-N749 PolarHBondContact N-O 3.35Å; S745-N749 WeakPolarHBondContact CB-OD1 3.49Å; S745-N749 PolarHBondContact OG-ND2 2.84Å; S745-N749 PolarHBondContact OG-OD1 3.23Å; Y747-N749 WeakPolarHBondContact CB-OD1 3.45Å; Y747-N749 PolarHBondContact O-N 3.05Å; N749-C751 PolarHBondContact O-N 3.15Å
750	N	95.3	Very high	93.8	Very high	37 Å²	37	66.3 Å²	66.3	20%	0.198	34%	0.337	C	S	.	.			trans	-56.4	128	174.4	-174.3	-60.3	0	0	0	110.5	N742 S745 Y747 M748 R752 H753 L754	N742-N750 VanDerWaalsContact O-CA 3.31Å; N742-N750 WeakPolarHBondContact O-CA 3.34Å; S745-N750 VanDerWaalsContact O-CB 3.3Å; S745-N750 WeakPolarHBondContact O-CB 3.36Å; S745-N750 PolarHBondContact O-ND2 3.05Å; S745-N750 WeakPolarHBondContact OG-CA 3.24Å; S745-N750 PolarHBondContact OG-N 3.24Å; Y747-N750 VanDerWaalsContact O-CB 3.26Å; Y747-N750 WeakPolarHBondContact O-CB 3.27Å; Y747-N750 PolarHBondContact O-N 3.1Å; M748-N750 PolarHBondContact O-N 3.12Å; N750-R752 PolarHBondContact O-N 3.33Å; N750-R752 WeakPolarHBondContact OD1-CA 3.36Å; N750-R752 WeakPolarHBondContact OD1-CB 3.43Å; N750-R752 PolarHBondContact OD1-N 3.47Å; N750-H753 HydrophobicContact CB-CB 4.39Å; N750-H753 PolarHBondContact O-N 3.3Å; N750-L754 WeakPolarHBondContact O-CB 3.34Å; N750-L754 PolarHBondContact O-N 2.59Å
751	C	95.7	Very high	93.9	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.007	33%	0.327	C	S	.	.	H	α-helix	trans	-55.4	-37.6	-179.5	-65.5	0	0	0	0	113.4	C741 N742 S743 N749 H753 C755 F760 E793	C741-C751 VanDerWaalsContact C-SG 3.5Å; C741-C751 HydrophobicContact CB-CB 3.84Å; C741-C751 WeakPolarHBondContact CB-SG 3.23Å; C741-C751 VanDerWaalsContact SG-CA 3.54Å; C741-C751 WeakPolarHBondContact SG-CB 3.14Å; C741-C751 CovalentContact SG-SG 2.04Å; C741-C751 PolarHBondContact SG-SG 3.48Å; N742-C751 PolarHBondContact N-SG 3.35Å; N742-C751 VanDerWaalsContact N-SG 3.44Å; S743-C751 PolarHBondContact N-SG 2.72Å; N749-C751 PolarHBondContact O-N 3.15Å; C751-H753 VanDerWaalsContact C-N 3.33Å; C751-H753 PolarHBondContact O-N 2.89Å; C751-C755 WeakPolarHBondContact O-CA 2.99Å; C751-C755 WeakPolarHBondContact O-CB 3.46Å; C751-C755 PolarHBondContact O-N 3.43Å; C751-C755 PolarHBondContact O-SG 2.96Å; C751-F760 HydrophobicContact CB-CB 4.16Å; C751-F760 HydrophobicContact CB-CD1 3.33Å; C751-F760 HydrophobicContact CB-CD2 4.48Å; C751-F760 HydrophobicContact CB-CE1 3.75Å; C751-F760 HydrophobicContact CB-CG 3.75Å; C751-F760 HydrophobicContact CB-CZ 4.48Å; C751-E793 PolarHBondContact SG-OE2 2.97Å; C751-E793 VanDerWaalsContact SG-OE2 3.39Å
752	R	94	Very high	94	Very high	189 Å²	189	66.1 Å²	66.1	71%	0.713	34%	0.336	S	S	*	.	H	α-helix	trans	-58.7	-45	175.1	-171.2	176.4	-178.5	171.1	0.9	111.6	N750 N757	N750-R752 PolarHBondContact O-N 3.33Å; N750-R752 WeakPolarHBondContact OD1-CA 3.36Å; N750-R752 WeakPolarHBondContact OD1-CB 3.43Å; N750-R752 PolarHBondContact OD1-N 3.47Å; R752-N757 WeakPolarHBondContact CG-OD1 3.3Å; R752-N757 PolarHBondContact O-N 3.14Å; R752-N757 PolarHBondContact O-OD1 3.49Å
753	H	93.1	Very high	94	Very high	65 Å²	65	68 Å²	68	30%	0.301	34%	0.342	S	S	.	.	H	α-helix	trans	-76	-51.5	-179	-178.4	81.4	0	0	0	112.5	R452 N750 C751 C756	R452-H753 PolarHBondContact NE-O 3.08Å; R452-H753 PolarHBondContact NH2-CE1 3.11Å; R452-H753 PolarHBondContact NH2-ND1 3.09Å; R452-H753 PolarHBondContact NH2-O 2.72Å; R452-H753 VanDerWaalsContact NH2-O 3.11Å; N750-H753 HydrophobicContact CB-CB 4.39Å; N750-H753 PolarHBondContact O-N 3.3Å; C751-H753 VanDerWaalsContact C-N 3.33Å; C751-H753 PolarHBondContact O-N 2.89Å; H753-C756 PolarHBondContact O-N 2.98Å
754	L	95	Very high	94.1	Very high	1 Å²	1	71.7 Å²	71.7	1%	0.005	36%	0.355	C	S	.	.	H	α-helix	trans	-69.8	-40.1	-174.4	-173.5	58.8	0	0	0	112.2	R452 T736 L740 C741 N750 C756	R452-L754 HydrophobicContact CG-CD1 4.47Å; T736-L754 VanDerWaalsContact CB-O 3.24Å; T736-L754 WeakPolarHBondContact CB-O 3.42Å; T736-L754 HydrophobicContact CG2-CD1 4.39Å; T736-L754 VanDerWaalsContact CG2-O 3.3Å; T736-L754 WeakPolarHBondContact CG2-O 3.47Å; T736-L754 PolarHBondContact OG1-O 3.12Å; L740-L754 WeakPolarHBondContact O-CD2 3.5Å; C741-L754 HydrophobicContact CB-CD2 4.04Å; N750-L754 WeakPolarHBondContact O-CB 3.34Å; N750-L754 PolarHBondContact O-N 2.59Å; L754-C756 PolarHBondContact O-N 3.39Å
755	C	95.6	Very high	94.3	Very high	0 Å²	0	72 Å²	72	0%	0	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	7.1	178.6	-45.1	0	0	0	0	112.8	C751 N757 R758 G759 C795	C751-C755 WeakPolarHBondContact O-CA 2.99Å; C751-C755 WeakPolarHBondContact O-CB 3.46Å; C751-C755 PolarHBondContact O-N 3.43Å; C751-C755 PolarHBondContact O-SG 2.96Å; C755-N757 VanDerWaalsContact C-N 3.28Å; C755-N757 PolarHBondContact O-N 2.96Å; C755-R758 VanDerWaalsContact O-CB 3.25Å; C755-R758 WeakPolarHBondContact O-CB 3.49Å; C755-R758 WeakPolarHBondContact O-CG 3.23Å; C755-R758 PolarHBondContact O-N 2.81Å; C755-R758 PolarHBondContact O-NE 3.32Å; C755-G759 WeakPolarHBondContact CB-O 3.42Å; C755-C795 WeakPolarHBondContact CA-SG 3.21Å; C755-C795 HydrophobicContact CB-CB 3.56Å; C755-C795 WeakPolarHBondContact CB-SG 3.48Å; C755-C795 WeakPolarHBondContact SG-CA 2.94Å; C755-C795 WeakPolarHBondContact SG-CB 3.47Å; C755-C795 CovalentContact SG-SG 2.03Å; C755-C795 PolarHBondContact SG-SG 3.02Å
756	C	94.1	Very high	94.4	Very high	23 Å²	23	78.8 Å²	78.8	16%	0.155	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	37.5	176.3	-53.1	0	0	0	0	114.1	R452 C725 H753 L754 R758	R452-C756 PolarHBondContact NE-SG 3.46Å; C725-C756 HydrophobicContact CB-CB 3.69Å; C725-C756 WeakPolarHBondContact CB-SG 3.1Å; C725-C756 WeakPolarHBondContact SG-CB 3.4Å; C725-C756 CovalentContact SG-SG 2Å; C725-C756 PolarHBondContact SG-SG 3.49Å; H753-C756 PolarHBondContact O-N 2.98Å; L754-C756 PolarHBondContact O-N 3.39Å; C756-R758 PolarHBondContact O-N 2.75Å
757	N	93	Very high	94.6	Very high	111 Å²	111	74.5 Å²	74.5	59%	0.594	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	17.5	-173.2	-52.5	-48.9	0	0	0	115.3	R752 C755 G759	R752-N757 WeakPolarHBondContact CG-OD1 3.3Å; R752-N757 PolarHBondContact O-N 3.14Å; R752-N757 PolarHBondContact O-OD1 3.49Å; C755-N757 VanDerWaalsContact C-N 3.28Å; C755-N757 PolarHBondContact O-N 2.96Å; N757-G759 VanDerWaalsContact C-N 3.26Å; N757-G759 PolarHBondContact O-N 3.33Å
758	R	93.7	Very high	94.9	Very high	69 Å²	69	70.6 Å²	70.6	26%	0.26	33%	0.333	S	S	.	.	S	Bend	trans	-78.8	-9.1	175.2	-60.7	-176.5	-70.4	138.6	-0.9	113.6	C725 T736 C755 C756 I796	C725-R758 PolarHBondContact O-NH2 2.66Å; T736-R758 PolarHBondContact OG1-NH2 2.84Å; C755-R758 VanDerWaalsContact O-CB 3.25Å; C755-R758 WeakPolarHBondContact O-CB 3.49Å; C755-R758 WeakPolarHBondContact O-CG 3.23Å; C755-R758 PolarHBondContact O-N 2.81Å; C755-R758 PolarHBondContact O-NE 3.32Å; C756-R758 PolarHBondContact O-N 2.75Å; R758-I796 PolarHBondContact NH1-O 3.13Å; R758-I796 PolarHBondContact NH2-O 3.05Å
759	G	94.5	Very high	95.1	Very high	31 Å²	31	70.6 Å²	70.6	32%	0.32	33%	0.332	S	S	.	.			trans	90.6	178	-173.8	0	0	0	0	0	112.9	C755 N757 I796	C755-G759 WeakPolarHBondContact CB-O 3.42Å; N757-G759 VanDerWaalsContact C-N 3.26Å; N757-G759 PolarHBondContact O-N 3.33Å; G759-I796 PolarHBondContact O-N 3.07Å
760	F	96.8	Very high	95.3	Very high	78 Å²	78	72.8 Å²	72.8	34%	0.342	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	149.2	-179.3	57.9	-84	0	0	0	110.4	C751 E793 T794	C751-F760 HydrophobicContact CB-CB 4.16Å; C751-F760 HydrophobicContact CB-CD1 3.33Å; C751-F760 HydrophobicContact CB-CD2 4.48Å; C751-F760 HydrophobicContact CB-CE1 3.75Å; C751-F760 HydrophobicContact CB-CG 3.75Å; C751-F760 HydrophobicContact CB-CZ 4.48Å; F760-E793 HydrophobicContact CD2-CB 4.01Å; F760-E793 HydrophobicContact CD2-CG 4.1Å; F760-E793 HydrophobicContact CE2-CG 4.27Å; F760-T794 CarbonylContact C-O 3.48Å; F760-T794 WeakPolarHBondContact CA-O 3.32Å; F760-T794 VanDerWaalsContact CB-O 3.31Å; F760-T794 WeakPolarHBondContact CB-O 3.46Å
761	I	96.7	Very high	95.3	Very high	80 Å²	80	72.2 Å²	72.2	41%	0.41	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	135.3	173.4	-60	167.5	0	0	0	107.5	H763 E793 T794 I796	I761-H763 VanDerWaalsContact CG2-NE2 3.34Å; I761-H763 WeakPolarHBondContact CG2-NE2 3Å; I761-E793 CarbonylContact O-C 3.59Å; I761-E793 VanDerWaalsContact O-CA 3.31Å; I761-E793 WeakPolarHBondContact O-CA 3.31Å; I761-T794 PolarHBondContact N-O 3.36Å; I761-T794 PolarHBondContact O-N 3.18Å; I761-I796 HydrophobicContact CD1-CG1 4.25Å; I761-I796 HydrophobicContact CG1-CD1 4.27Å; I761-I796 HydrophobicContact CG1-CG1 3.84Å
762	T	97	Very high	95.3	Very high	48 Å²	48	78.7 Å²	78.7	29%	0.294	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	119.9	175	-60.6	0	0	0	0	109.5	H764 K791 E793	T762-H764 WeakPolarHBondContact CG2-CE1 3.31Å; T762-K791 HydrophobicContact CG2-CD 3.97Å; T762-K791 HydrophobicContact CG2-CG 3.49Å; T762-K791 VanDerWaalsContact CG2-CG 3.49Å; T762-E793 HydrophobicContact CG2-CG 4.34Å
763	H	95.6	Very high	95.3	Very high	104 Å²	104	73 Å²	73	48%	0.481	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	133.4	171	-66.1	-77.3	0	0	0	109.9	I761 V792	I761-H763 VanDerWaalsContact CG2-NE2 3.34Å; I761-H763 WeakPolarHBondContact CG2-NE2 3Å; H763-V792 PolarHBondContact N-O 3.35Å; H763-V792 PolarHBondContact O-N 3.41Å
764	H	96.5	Very high	95.3	Very high	117 Å²	117	77 Å²	77	54%	0.542	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133.4	171.4	-62.4	89.1	0	0	0	108.8	T762 L789 K790	T762-H764 WeakPolarHBondContact CG2-CE1 3.31Å; H764-L789 HydrophobicContact CB-CD1 3.97Å; H764-K790 VanDerWaalsContact CA-O 3.32Å; H764-K790 WeakPolarHBondContact CA-O 3.44Å
765	Y	95.6	Very high	95.3	Very high	106 Å²	106	82.2 Å²	82.2	42%	0.416	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	151.7	176.7	64.5	-85.3	0	0	0	110.5	I767 K790 V792	Y765-I767 HydrophobicContact CD2-CB 4.35Å; Y765-I767 HydrophobicContact CE2-CB 4.1Å; Y765-I767 HydrophobicContact CE2-CG2 4.33Å; Y765-K790 HydrophobicContact CD1-CB 4.39Å; Y765-K790 HydrophobicContact CD2-CB 4.37Å; Y765-K790 HydrophobicContact CE1-CB 3.86Å; Y765-K790 HydrophobicContact CE2-CB 3.85Å; Y765-K790 HydrophobicContact CE2-CG 4.24Å; Y765-K790 PolarHBondContact N-O 2.87Å; Y765-K790 PolarHBondContact O-N 2.95Å; Y765-V792 HydrophobicContact CE1-CB 4.06Å; Y765-V792 HydrophobicContact CE1-CG2 3.55Å
766	Y	96.8	Very high	95	Very high	154 Å²	154	84.3 Å²	84.3	60%	0.604	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	133.9	174.4	-66.7	-76.4	0	0	0	110	L787 V788 L789	Y766-L787 HydrophobicContact CD1-CD2 3.16Å; Y766-L787 HydrophobicContact CD1-CG 3.78Å; Y766-L787 HydrophobicContact CE1-CD2 3.56Å; Y766-L787 HydrophobicContact CG-CD1 4.48Å; Y766-L787 HydrophobicContact CG-CD2 3.77Å; Y766-L787 HydrophobicContact CG-CG 4.15Å; Y766-V788 WeakPolarHBondContact CA-O 3.49Å; Y766-L789 HydrophobicContact CD1-CB 4.07Å; Y766-L789 HydrophobicContact CD1-CD1 3.96Å; Y766-L789 HydrophobicContact CD2-CD1 4.39Å; Y766-L789 HydrophobicContact CE1-CB 3.84Å; Y766-L789 HydrophobicContact CE1-CD1 3.74Å; Y766-L789 HydrophobicContact CE1-CG 4.29Å; Y766-L789 HydrophobicContact CE2-CD1 4.16Å; Y766-L789 HydrophobicContact CG-CD1 4.32Å
767	I	95.5	Very high	94.2	Very high	68 Å²	68	94.9 Å²	94.9	35%	0.349	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	144.5	172.9	-172.9	167	0	0	0	109.5	Y765 E769 V788 K790	Y765-I767 HydrophobicContact CD2-CB 4.35Å; Y765-I767 HydrophobicContact CE2-CB 4.1Å; Y765-I767 HydrophobicContact CE2-CG2 4.33Å; I767-E769 HydrophobicContact CG2-CG 4.12Å; I767-V788 HydrophobicContact CG2-CB 4.47Å; I767-V788 PolarHBondContact N-O 2.78Å; I767-V788 PolarHBondContact O-N 2.76Å; I767-K790 HydrophobicContact CG2-CD 4.44Å; I767-K790 VanDerWaalsContact CG2-CG 3.48Å; I767-K790 HydrophobicContact CG2-CG 3.48Å
768	M	96.2	Very high	93.4	Very high	100 Å²	100	94 Å²	94	49%	0.493	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	118.1	170.4	-60.2	-55.5	-63.1	0	0	109	Q785 C786 L787	M768-Q785 HydrophobicContact CE-CB 3.51Å; M768-Q785 WeakPolarHBondContact CE-O 3.49Å; M768-C786 WeakPolarHBondContact CA-O 3.07Å; M768-L787 HydrophobicContact SD-CB 4.09Å; M768-L787 HydrophobicContact SD-CD1 3.96Å; M768-L787 HydrophobicContact SD-CG 4.47Å
769	E	95	Very high	92.9	Very high	71 Å²	71	93.6 Å²	93.6	33%	0.332	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	148.8	173.1	-73.3	-175.1	160.6	0	0	110.7	I767 C771 C786 V788 K790	I767-E769 HydrophobicContact CG2-CG 4.12Å; E769-C771 PolarHBondContact O-N 2.82Å; E769-C786 PolarHBondContact N-O 3.22Å; E769-C786 PolarHBondContact O-N 2.76Å; E769-V788 HydrophobicContact CG-CG2 4.48Å; E769-V788 HydrophobicContact CB-CG2 4.08Å; E769-K790 WeakPolarHBondContact OE1-CE 3.48Å; E769-K790 IonicContact OE1-NZ 2.95Å; E769-K790 PolarHBondContact OE1-NZ 3.03Å; E769-K790 VanDerWaalsContact OE2-CE 3.27Å; E769-K790 WeakPolarHBondContact OE2-CE 3.48Å; E769-K790 IonicContact OE2-NZ 2.77Å; E769-K790 PolarHBondContact OE2-NZ 2.76Å
770	S	94.9	Very high	92.9	Very high	76 Å²	76	98.7 Å²	98.7	53%	0.531	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	118.2	172.5	-64.2	0	0	0	0	109.5	Q784 Q785	S770-Q784 WeakPolarHBondContact CA-O 3.3Å; S770-Q785 PolarHBondContact OG-NE2 2.63Å
771	C	95.8	Very high	92.7	Very high	24 Å²	24	99.4 Å²	99.4	16%	0.162	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	170.1	-176.5	65.7	0	0	0	0	110.5	E769 C773 Q784 C786	E769-C771 PolarHBondContact O-N 2.82Å; C771-C773 PolarHBondContact O-N 2.93Å; C771-Q784 PolarHBondContact N-O 2.9Å; C771-Q784 PolarHBondContact O-N 3.38Å; C771-Q784 PolarHBondContact SG-O 2.86Å; C771-Q784 VanDerWaalsContact SG-O 3.39Å; C771-C786 PolarHBondContact SG-N 2.79Å; C771-C786 PolarHBondContact SG-SG 3.19Å; C771-C786 CovalentContact SG-SG 2Å; C771-C786 WeakPolarHBondContact SG-CB 3.48Å; C771-C786 WeakPolarHBondContact CB-SG 3.31Å; C771-C786 HydrophobicContact CB-CB 3.59Å
772	H	95	Very high	92.6	Very high	137 Å²	137	99.7 Å²	99.7	63%	0.634	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	46.6	40.8	-179.9	-54.6	116.3	0	0	0	113.1	K774 Q784	H772-K774 PolarHBondContact O-N 3.19Å; H772-Q784 HydrophobicContact CB-CB 4.41Å; H772-Q784 HydrophobicContact CB-CG 4.28Å; H772-Q784 PolarHBondContact ND1-OE1 3.12Å
773	C	95.6	Very high	92.6	Very high	71 Å²	71	99.5 Å²	99.5	48%	0.48	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	119.2	-176.2	-63.1	0	0	0	0	110.6	C771 V781 E782 C783	C771-C773 PolarHBondContact O-N 2.93Å; C773-V781 HydrophobicContact CB-CG1 3.86Å; C773-E782 WeakPolarHBondContact CA-O 3.32Å; C773-E782 VanDerWaalsContact CA-O 3.29Å; C773-E782 CarbonylContact C-O 3.6Å; C773-C783 HydrophobicContact CB-CB 4.09Å; C773-C783 WeakPolarHBondContact CB-SG 3.26Å; C773-C783 WeakPolarHBondContact SG-CB 3.41Å; C773-C783 CovalentContact SG-SG 2.04Å; C773-C783 PolarHBondContact SG-SG 3.26Å
774	K	93.1	Very high	92.6	Very high	148 Å²	148	100.2 Å²	100.2	64%	0.643	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	125.9	170.3	-175.7	177	178.8	-179.4	0	109	H772 I776 E782	H772-K774 PolarHBondContact O-N 3.19Å; K774-I776 PolarHBondContact O-N 3.42Å; K774-E782 PolarHBondContact N-O 3.01Å; K774-E782 PolarHBondContact O-N 3.21Å
775	F	93.9	Very high	92.6	Very high	111 Å²	111	100 Å²	100	49%	0.487	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	115.5	165.8	-173.8	-102.7	0	0	0	108.6	W777 V781	F775-W777 AromaticContact CE1-CD1 3.86Å; F775-W777 HydrophobicContact CE1-CG 4.18Å; F775-W777 HydrophobicContact CD1-CG 4.39Å; F775-W777 AromaticContact CD1-CD1 3.73Å; F775-V781 HydrophobicContact CD2-CG2 3.92Å
776	I	90.1	Very high	92.7	Very high	43 Å²	43	96.5 Å²	96.5	22%	0.221	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	122.7	170.5	-63.3	-175.9	0	0	0	107.1	K774 C778 C779 R780 E782	K774-I776 PolarHBondContact O-N 3.42Å; I776-C778 PolarHBondContact O-N 3.34Å; I776-C779 PolarHBondContact O-N 3.01Å; I776-R780 HydrophobicContact CB-CG 4.2Å; I776-R780 PolarHBondContact N-O 2.78Å; I776-R780 PolarHBondContact O-N 2.85Å; I776-E782 HydrophobicContact CD1-CG 3.74Å; I776-E782 HydrophobicContact CG1-CG 4.4Å; I776-E782 WeakPolarHBondContact CD1-OE2 3.49Å; I776-E782 WeakPolarHBondContact CD1-OE1 3.21Å; I776-E782 HydrophobicContact CD1-CB 4.43Å; I776-E782 VanDerWaalsContact CD1-OE2 3.27Å
777	W	77.2	Confident	92.7	Very high	245 Å²	245	94.5 Å²	94.5	93%	0.928	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	67.5	173.1	-101.9	85.3	0	0	0	111.1	F775	F775-W777 AromaticContact CE1-CD1 3.86Å; F775-W777 HydrophobicContact CE1-CG 4.18Å; F775-W777 HydrophobicContact CD1-CG 4.39Å; F775-W777 AromaticContact CD1-CD1 3.73Å
778	C	75.2	Confident	92.7	Very high	94 Å²	94	93.2 Å²	93.2	64%	0.635	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-157.7	27.1	156.1	81.6	0	0	0	0	110.2	I776	I776-C778 PolarHBondContact O-N 3.34Å
779	C	85	Confident	92.7	Very high	60 Å²	60	92.7 Å²	92.7	41%	0.405	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.9	26.1	171.6	-51.3	0	0	0	0	119.3	L40 I776	L40-C779 PolarHBondContact O-SG 2.66Å; I776-C779 PolarHBondContact O-N 3.01Å
780	R	92.8	Very high	92.6	Very high	138 Å²	138	92.4 Å²	92.4	52%	0.521	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	150	174.6	68.5	-178.7	-179.2	171.5	5	114	I776 E782	I776-R780 HydrophobicContact CB-CG 4.2Å; I776-R780 PolarHBondContact N-O 2.78Å; I776-R780 PolarHBondContact O-N 2.85Å; R780-E782 IonicContact CZ-OE1 3.75Å; R780-E782 IonicContact NE-OE1 2.85Å; R780-E782 PolarHBondContact NE-OE1 2.82Å; R780-E782 IonicContact NH1-OE1 3.15Å; R780-E782 IonicContact NH2-OE1 2.67Å; R780-E782 PolarHBondContact NH2-OE1 2.8Å
781	V	93.9	Very high	92.6	Very high	93 Å²	93	93.8 Å²	93.8	56%	0.564	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	119.2	169.4	-177.7	0	0	0	0	107.8	C773 F775	C773-V781 HydrophobicContact CB-CG1 3.86Å; F775-V781 HydrophobicContact CD2-CG2 3.92Å
782	E	94	Very high	92.6	Very high	86 Å²	86	94.5 Å²	94.5	40%	0.402	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	122.4	168.8	-72.2	-170.1	173.1	0	0	109.1	C773 K774 I776 R780	C773-E782 WeakPolarHBondContact CA-O 3.32Å; C773-E782 VanDerWaalsContact CA-O 3.29Å; C773-E782 CarbonylContact C-O 3.6Å; K774-E782 PolarHBondContact N-O 3.01Å; K774-E782 PolarHBondContact O-N 3.21Å; I776-E782 HydrophobicContact CD1-CG 3.74Å; I776-E782 HydrophobicContact CG1-CG 4.4Å; I776-E782 WeakPolarHBondContact CD1-OE2 3.49Å; I776-E782 WeakPolarHBondContact CD1-OE1 3.21Å; I776-E782 HydrophobicContact CD1-CB 4.43Å; I776-E782 VanDerWaalsContact CD1-OE2 3.27Å; R780-E782 IonicContact CZ-OE1 3.75Å; R780-E782 IonicContact NE-OE1 2.85Å; R780-E782 PolarHBondContact NE-OE1 2.82Å; R780-E782 IonicContact NH1-OE1 3.15Å; R780-E782 IonicContact NH2-OE1 2.67Å; R780-E782 PolarHBondContact NH2-OE1 2.8Å
783	C	96.7	Very high	92.7	Very high	44 Å²	44	88.5 Å²	88.5	30%	0.297	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	146.2	174.7	-54.6	0	0	0	0	109.9	C773	C773-C783 HydrophobicContact CB-CB 4.09Å; C773-C783 WeakPolarHBondContact CB-SG 3.26Å; C773-C783 WeakPolarHBondContact SG-CB 3.41Å; C773-C783 CovalentContact SG-SG 2.04Å; C773-C783 PolarHBondContact SG-SG 3.26Å
784	Q	96.1	Very high	92.7	Very high	118 Å²	118	86.3 Å²	86.3	55%	0.551	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.1	159.1	164.2	-64.3	176.2	-8.2	0	0	109.5	S770 C771 H772	S770-Q784 WeakPolarHBondContact CA-O 3.3Å; C771-Q784 PolarHBondContact N-O 2.9Å; C771-Q784 PolarHBondContact O-N 3.38Å; C771-Q784 PolarHBondContact SG-O 2.86Å; C771-Q784 VanDerWaalsContact SG-O 3.39Å; H772-Q784 HydrophobicContact CB-CB 4.41Å; H772-Q784 HydrophobicContact CB-CG 4.28Å; H772-Q784 PolarHBondContact ND1-OE1 3.12Å
785	Q	96.1	Very high	92.9	Very high	113 Å²	113	79.5 Å²	79.5	53%	0.528	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	109.4	172.8	-64.7	-62.9	-43.3	0	0	108.7	M768 S770	M768-Q785 HydrophobicContact CE-CB 3.51Å; M768-Q785 WeakPolarHBondContact CE-O 3.49Å; S770-Q785 PolarHBondContact OG-NE2 2.63Å
786	C	97.1	Very high	92.9	Very high	32 Å²	32	78.7 Å²	78.7	22%	0.216	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	136.5	177.7	-73.4	0	0	0	0	110.8	M768 E769 C771 V788	M768-C786 WeakPolarHBondContact CA-O 3.07Å; E769-C786 PolarHBondContact N-O 3.22Å; E769-C786 PolarHBondContact O-N 2.76Å; C771-C786 PolarHBondContact SG-N 2.79Å; C771-C786 PolarHBondContact SG-SG 3.19Å; C771-C786 CovalentContact SG-SG 2Å; C771-C786 WeakPolarHBondContact SG-CB 3.48Å; C771-C786 WeakPolarHBondContact CB-SG 3.31Å; C771-C786 HydrophobicContact CB-CB 3.59Å; C786-V788 HydrophobicContact CB-CG2 4.28Å; C786-V788 PolarHBondContact O-N 3.01Å
787	L	96.7	Very high	93.1	Very high	112 Å²	112	80.5 Å²	80.5	59%	0.586	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	109.5	168.2	-169.4	115.9	0	0	0	108.9	Y766 M768	Y766-L787 HydrophobicContact CD1-CD2 3.16Å; Y766-L787 HydrophobicContact CD1-CG 3.78Å; Y766-L787 HydrophobicContact CE1-CD2 3.56Å; Y766-L787 HydrophobicContact CG-CD1 4.48Å; Y766-L787 HydrophobicContact CG-CD2 3.77Å; Y766-L787 HydrophobicContact CG-CG 4.15Å; M768-L787 HydrophobicContact SD-CB 4.09Å; M768-L787 HydrophobicContact SD-CD1 3.96Å; M768-L787 HydrophobicContact SD-CG 4.47Å
788	V	95.9	Very high	93.9	Very high	42 Å²	42	71.8 Å²	71.8	26%	0.255	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.1	-179.3	-178.6	0	0	0	0	109.6	Y766 I767 E769 C786 K790	Y766-V788 WeakPolarHBondContact CA-O 3.49Å; I767-V788 HydrophobicContact CG2-CB 4.47Å; I767-V788 PolarHBondContact N-O 2.78Å; I767-V788 PolarHBondContact O-N 2.76Å; E769-V788 HydrophobicContact CG-CG2 4.48Å; E769-V788 HydrophobicContact CB-CG2 4.08Å; C786-V788 HydrophobicContact CB-CG2 4.28Å; C786-V788 PolarHBondContact O-N 3.01Å; V788-K790 HydrophobicContact CG1-CD 4.18Å; V788-K790 PolarHBondContact O-N 3.32Å
789	L	95.7	Very high	95	Very high	89 Å²	89	70.6 Å²	70.6	47%	0.466	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	114.8	170.1	-174.7	63.2	0	0	0	109.4	H764 Y766	H764-L789 HydrophobicContact CB-CD1 3.97Å; Y766-L789 HydrophobicContact CD1-CB 4.07Å; Y766-L789 HydrophobicContact CD1-CD1 3.96Å; Y766-L789 HydrophobicContact CD2-CD1 4.39Å; Y766-L789 HydrophobicContact CE1-CB 3.84Å; Y766-L789 HydrophobicContact CE1-CD1 3.74Å; Y766-L789 HydrophobicContact CE1-CG 4.29Å; Y766-L789 HydrophobicContact CE2-CD1 4.16Å; Y766-L789 HydrophobicContact CG-CD1 4.32Å
790	K	94.2	Very high	95.6	Very high	65 Å²	65	71.2 Å²	71.2	28%	0.283	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	147.2	173.8	-65.6	-68.7	-178.7	178.6	0	110.6	H764 Y765 I767 E769 V788	H764-K790 VanDerWaalsContact CA-O 3.32Å; H764-K790 WeakPolarHBondContact CA-O 3.44Å; Y765-K790 HydrophobicContact CD1-CB 4.39Å; Y765-K790 HydrophobicContact CD2-CB 4.37Å; Y765-K790 HydrophobicContact CE1-CB 3.86Å; Y765-K790 HydrophobicContact CE2-CB 3.85Å; Y765-K790 HydrophobicContact CE2-CG 4.24Å; Y765-K790 PolarHBondContact N-O 2.87Å; Y765-K790 PolarHBondContact O-N 2.95Å; I767-K790 HydrophobicContact CG2-CD 4.44Å; I767-K790 VanDerWaalsContact CG2-CG 3.48Å; I767-K790 HydrophobicContact CG2-CG 3.48Å; E769-K790 WeakPolarHBondContact OE1-CE 3.48Å; E769-K790 IonicContact OE1-NZ 2.95Å; E769-K790 PolarHBondContact OE1-NZ 3.03Å; E769-K790 VanDerWaalsContact OE2-CE 3.27Å; E769-K790 WeakPolarHBondContact OE2-CE 3.48Å; E769-K790 IonicContact OE2-NZ 2.77Å; E769-K790 PolarHBondContact OE2-NZ 2.76Å; V788-K790 HydrophobicContact CG1-CD 4.18Å; V788-K790 PolarHBondContact O-N 3.32Å
791	K	94.2	Very high	95.7	Very high	105 Å²	105	67.1 Å²	67.1	46%	0.457	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.3	173.7	-173.8	-167.9	-168.2	-167.2	0	108.8	T762 E793	T762-K791 HydrophobicContact CG2-CD 3.97Å; T762-K791 HydrophobicContact CG2-CG 3.49Å; T762-K791 VanDerWaalsContact CG2-CG 3.49Å; K791-E793 HydrophobicContact CD-CG 4.41Å; K791-E793 WeakPolarHBondContact CE-OE1 3.37Å; K791-E793 HydrophobicContact CG-CG 4.41Å; K791-E793 IonicContact NZ-OE1 2.64Å; K791-E793 PolarHBondContact NZ-OE1 3.26Å
792	V	95.8	Very high	95.8	Very high	39 Å²	39	65.3 Å²	65.3	24%	0.236	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	130	172.7	160.6	0	0	0	0	109.3	L740 H763 Y765 T794	L740-V792 HydrophobicContact CD2-CG1 3.34Å; H763-V792 PolarHBondContact N-O 3.35Å; H763-V792 PolarHBondContact O-N 3.41Å; Y765-V792 HydrophobicContact CE1-CB 4.06Å; Y765-V792 HydrophobicContact CE1-CG2 3.55Å; V792-T794 HydrophobicContact CG1-CG2 4.15Å
793	E	96.9	Very high	96	Very high	10 Å²	10	63.9 Å²	63.9	5%	0.047	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	128	-178.7	-60.2	171.8	158.2	0	0	109.9	L740 C741 N742 S743 C751 F760 I761 T762 K791	L740-E793 WeakPolarHBondContact CA-O 3.5Å; C741-E793 PolarHBondContact N-O 3.06Å; N742-E793 VanDerWaalsContact CA-OE2 3.29Å; N742-E793 WeakPolarHBondContact CA-OE2 3.24Å; S743-E793 WeakPolarHBondContact CB-OE1 3.42Å; S743-E793 WeakPolarHBondContact CB-OE2 3.31Å; S743-E793 PolarHBondContact N-OE2 2.98Å; S743-E793 VanDerWaalsContact OG-CD 3.28Å; S743-E793 PolarHBondContact OG-OE1 3.18Å; S743-E793 PolarHBondContact OG-OE2 3.06Å; C751-E793 PolarHBondContact SG-OE2 2.97Å; C751-E793 VanDerWaalsContact SG-OE2 3.39Å; F760-E793 HydrophobicContact CD2-CB 4.01Å; F760-E793 HydrophobicContact CD2-CG 4.1Å; F760-E793 HydrophobicContact CE2-CG 4.27Å; I761-E793 CarbonylContact O-C 3.59Å; I761-E793 VanDerWaalsContact O-CA 3.31Å; I761-E793 WeakPolarHBondContact O-CA 3.31Å; T762-E793 HydrophobicContact CG2-CG 4.34Å; K791-E793 HydrophobicContact CD-CG 4.41Å; K791-E793 WeakPolarHBondContact CE-OE1 3.37Å; K791-E793 HydrophobicContact CG-CG 4.41Å; K791-E793 IonicContact NZ-OE1 2.64Å; K791-E793 PolarHBondContact NZ-OE1 3.26Å
794	T	96.9	Very high	95.9	Very high	26 Å²	26	65.4 Å²	65.4	16%	0.16	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	138.7	-176.9	52.7	0	0	0	0	111.3	R739 L740 F760 I761 V792	R739-T794 CarbonylContact O-C 3.57Å; R739-T794 WeakPolarHBondContact O-CA 3.47Å; L740-T794 HydrophobicContact CD2-CG2 3.95Å; F760-T794 CarbonylContact C-O 3.48Å; F760-T794 WeakPolarHBondContact CA-O 3.32Å; F760-T794 VanDerWaalsContact CB-O 3.31Å; F760-T794 WeakPolarHBondContact CB-O 3.46Å; I761-T794 PolarHBondContact N-O 3.36Å; I761-T794 PolarHBondContact O-N 3.18Å; V792-T794 HydrophobicContact CG1-CG2 4.15Å
795	C	96.6	Very high	95.9	Very high	4 Å²	4	61 Å²	61	3%	0.027	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	139.5	177.5	-65.3	0	0	0	0	112.9	T736 G738 R739 C755	T736-C795 WeakPolarHBondContact O-CB 3.35Å; G738-C795 PolarHBondContact N-O 3.33Å; R739-C795 PolarHBondContact O-N 2.86Å; C755-C795 WeakPolarHBondContact CA-SG 3.21Å; C755-C795 HydrophobicContact CB-CB 3.56Å; C755-C795 WeakPolarHBondContact CB-SG 3.48Å; C755-C795 WeakPolarHBondContact SG-CA 2.94Å; C755-C795 WeakPolarHBondContact SG-CB 3.47Å; C755-C795 CovalentContact SG-SG 2.03Å; C755-C795 PolarHBondContact SG-SG 3.02Å
796	I	94.9	Very high	95.9	Very high	95 Å²	95	56.3 Å²	56.3	49%	0.487	29%	0.293	S	S	.	.			trans	-72.4	0	175.9	-62.4	171.5	0	0	0	111.8	R758 G759 I761	R758-I796 PolarHBondContact NH1-O 3.13Å; R758-I796 PolarHBondContact NH2-O 3.05Å; G759-I796 PolarHBondContact O-N 3.07Å; I761-I796 HydrophobicContact CD1-CG1 4.25Å; I761-I796 HydrophobicContact CG1-CD1 4.27Å; I761-I796 HydrophobicContact CG1-CG1 3.84Å

Retrieved 796 of 796 residues in 242.1 ms (Link to these results)

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