A0A060WHN4_ONCMY Loading...

Dehydrogenase/reductase SDR family member 7B

Putative oxidoreductase.

AlphaFold DB , UniProt , Accession A0A060WHN4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene dhrs7b, Length 311 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	48.1	Very low	50.6	Low	229 Å²	229	127.3 Å²	127.3	100%	1.128	69%	0.69	S	S	*	*				0	-14.8	0	-121.6	168.5	-152.2	0	0	113.5
2	E	48.2	Very low	51.7	Low	181 Å²	181	124.3 Å²	124.3	85%	0.846	68%	0.679	S	S	*	*			trans	-80.4	-22.8	-177.8	-76.3	171.9	137.3	0	0	116	V4	E2-V4 PolarHBondContact O-N 3.16Å
3	R	50.8	Low	52.7	Low	246 Å²	246	123.3 Å²	123.3	93%	0.928	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-15.1	-175.6	-83.4	-173.9	176.6	179.3	-0.7	115.7
4	V	50.9	Low	54	Low	120 Å²	120	117.1 Å²	117.1	73%	0.727	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-24.1	-178.7	-177.8	0	0	0	0	111.8	E2	E2-V4 PolarHBondContact O-N 3.16Å
5	M	45.1	Very low	55.3	Low	142 Å²	142	111.5 Å²	111.5	70%	0.7	63%	0.63	S	S	*	*	H	α-helix	trans	-78.5	-25.4	-178.2	-140.3	108.5	75.8	0	0	113.2	G7	M5-G7 PolarHBondContact O-N 3.42Å
6	G	42.4	Very low	56.7	Low	53 Å²	53	111 Å²	111	55%	0.546	62%	0.624	S	S	.	*	H	α-helix	trans	-72.2	-22.4	-175.7	0	0	0	0	0	115.3	P10	G6-P10 WeakPolarHBondContact O-CD 3.39Å; G6-P10 WeakPolarHBondContact O-CG 3.44Å
7	G	47.5	Very low	58.3	Low	45 Å²	45	106.7 Å²	106.7	46%	0.464	61%	0.611	S	S	.	*	H	α-helix	trans	-88.1	-23.3	178.3	0	0	0	0	0	114.3	M5	M5-G7 PolarHBondContact O-N 3.42Å
8	V	52.3	Low	59.6	Low	85 Å²	85	107.4 Å²	107.4	52%	0.515	61%	0.612	S	S	.	*	H	α-helix	trans	-80.2	-36.6	-176.1	-175	0	0	0	0	111.3	L11 V12	V8-L11 PolarHBondContact O-N 3.38Å; V8-V12 HydrophobicContact CG1-CG2 4.17Å; V8-V12 VanDerWaalsContact O-CG2 3.31Å; V8-V12 WeakPolarHBondContact O-CG2 3.23Å; V8-V12 PolarHBondContact O-N 2.85Å
9	V	55.3	Low	60.6	Low	81 Å²	81	105.5 Å²	105.5	49%	0.491	60%	0.602	S	S	.	*	H	α-helix	trans	-64.1	-44.7	-178.6	177.7	0	0	0	0	113	L11 V12 L13	V9-L11 PolarHBondContact O-N 3.42Å; V9-V12 PolarHBondContact O-N 2.92Å; V9-L13 HydrophobicContact CG1-CD1 3.73Å; V9-L13 HydrophobicContact CG1-CG 4.37Å; V9-L13 WeakPolarHBondContact O-CB 3.34Å; V9-L13 VanDerWaalsContact O-CG 3.3Å; V9-L13 WeakPolarHBondContact O-CG 3.28Å; V9-L13 PolarHBondContact O-N 3.4Å
10	P	57.5	Low	61.7	Low	81 Å²	81	105.3 Å²	105.3	53%	0.526	60%	0.598	S	S	.	*	H	α-helix	trans	-65.3	-34.6	175.8	-20.9	32.6	0	0	0	113.7	G6 G14	G6-P10 WeakPolarHBondContact O-CD 3.39Å; G6-P10 WeakPolarHBondContact O-CG 3.44Å; P10-G14 PolarHBondContact O-N 2.95Å
11	L	58.7	Low	62.7	Low	137 Å²	137	104.5 Å²	104.5	72%	0.717	59%	0.592	S	S	*	*	H	α-helix	trans	-69.1	-41.6	177	-90.8	160.4	0	0	0	112	V8 V9 G15	V8-L11 PolarHBondContact O-N 3.38Å; V9-L11 PolarHBondContact O-N 3.42Å; L11-G15 PolarHBondContact O-N 3.09Å
12	V	63.2	Low	64	Low	92 Å²	92	100.2 Å²	100.2	56%	0.558	56%	0.564	S	S	*	*	H	α-helix	trans	-68.8	-42.4	176.3	174.5	0	0	0	0	111	V8 V9 G15 L16	V8-V12 HydrophobicContact CG1-CG2 4.17Å; V8-V12 VanDerWaalsContact O-CG2 3.31Å; V8-V12 WeakPolarHBondContact O-CG2 3.23Å; V8-V12 PolarHBondContact O-N 2.85Å; V9-V12 PolarHBondContact O-N 2.92Å; V12-G15 PolarHBondContact O-N 3.46Å; V12-L16 WeakPolarHBondContact O-CB 3.3Å; V12-L16 PolarHBondContact O-N 3.44Å
13	L	65.1	Low	65.3	Low	111 Å²	111	98.8 Å²	98.8	58%	0.581	55%	0.551	S	S	*	*	H	α-helix	trans	-67.8	-39.1	176.6	-71.8	170.6	0	0	0	112.5	V9 L16 G17	V9-L13 HydrophobicContact CG1-CD1 3.73Å; V9-L13 HydrophobicContact CG1-CG 4.37Å; V9-L13 WeakPolarHBondContact O-CB 3.34Å; V9-L13 VanDerWaalsContact O-CG 3.3Å; V9-L13 WeakPolarHBondContact O-CG 3.28Å; V9-L13 PolarHBondContact O-N 3.4Å; L13-L16 PolarHBondContact O-N 3.48Å; L13-G17 PolarHBondContact O-N 3.21Å
14	G	70.4	Confident	66.5	Low	37 Å²	37	91.5 Å²	91.5	38%	0.381	53%	0.53	S	S	.	.	H	α-helix	trans	-64.9	-41.4	173.2	0	0	0	0	0	112.5	P10 G17 L18	P10-G14 PolarHBondContact O-N 2.95Å; G14-G17 PolarHBondContact O-N 2.82Å; G14-L18 WeakPolarHBondContact O-CG 3.47Å; G14-L18 PolarHBondContact O-N 3.32Å
15	G	74.1	Confident	67.6	Low	33 Å²	33	90.3 Å²	90.3	34%	0.34	52%	0.519	S	S	.	.	H	α-helix	trans	-63.8	-42.8	173.2	0	0	0	0	0	112.7	L11 V12 L18 V19	L11-G15 PolarHBondContact O-N 3.09Å; V12-G15 PolarHBondContact O-N 3.46Å; G15-L18 PolarHBondContact O-N 3.38Å; G15-V19 WeakPolarHBondContact O-CG2 3.43Å; G15-V19 PolarHBondContact O-N 2.88Å
16	L	78.1	Confident	68.5	Low	103 Å²	103	87.1 Å²	87.1	54%	0.539	50%	0.503	S	S	.	.	H	α-helix	trans	-64.4	-41.7	175.8	-148.5	89.5	0	0	0	111.3	V12 L13 V19 L20	V12-L16 WeakPolarHBondContact O-CB 3.3Å; V12-L16 PolarHBondContact O-N 3.44Å; L13-L16 PolarHBondContact O-N 3.48Å; L16-V19 PolarHBondContact O-N 3.43Å; L16-L20 HydrophobicContact CD2-CD1 4.37Å; L16-L20 WeakPolarHBondContact O-CB 3.35Å; L16-L20 VanDerWaalsContact O-CG 3.28Å; L16-L20 WeakPolarHBondContact O-CG 3.36Å; L16-L20 PolarHBondContact O-N 2.96Å
17	G	83.2	Confident	69.5	Low	38 Å²	38	94.6 Å²	94.6	39%	0.392	51%	0.514	S	S	.	.	H	α-helix	trans	-60.9	-43.5	175.1	0	0	0	0	0	112.6	L13 G14 L20 L21	L13-G17 PolarHBondContact O-N 3.21Å; G14-G17 PolarHBondContact O-N 2.82Å; G17-L20 PolarHBondContact O-N 3.44Å; G17-L21 VanDerWaalsContact O-CB 3.23Å; G17-L21 WeakPolarHBondContact O-CB 3.05Å; G17-L21 PolarHBondContact O-N 3.46Å
18	L	81.6	Confident	70.2	Confident	120 Å²	120	98.1 Å²	98.1	63%	0.628	52%	0.522	S	S	*	.	H	α-helix	trans	-64.8	-39.8	174.8	-76.8	166.6	0	0	0	112.5	G14 G15 Y22	G14-L18 WeakPolarHBondContact O-CG 3.47Å; G14-L18 PolarHBondContact O-N 3.32Å; G15-L18 PolarHBondContact O-N 3.38Å; L18-Y22 WeakPolarHBondContact O-CB 3.3Å; L18-Y22 PolarHBondContact O-N 2.85Å
19	V	78.7	Confident	70.6	Confident	70 Å²	70	100.2 Å²	100.2	42%	0.424	53%	0.526	S	S	.	.	H	α-helix	trans	-67.6	-41.4	176.2	171	0	0	0	0	111.5	G15 L16 Y22 R23	G15-V19 WeakPolarHBondContact O-CG2 3.43Å; G15-V19 PolarHBondContact O-N 2.88Å; L16-V19 PolarHBondContact O-N 3.43Å; V19-Y22 PolarHBondContact O-N 3.22Å; V19-R23 WeakPolarHBondContact O-CB 3.43Å; V19-R23 VanDerWaalsContact O-CG 3.31Å; V19-R23 WeakPolarHBondContact O-CG 3.38Å; V19-R23 PolarHBondContact O-N 3.31Å
20	L	82.4	Confident	70.9	Confident	101 Å²	101	105.7 Å²	105.7	53%	0.529	55%	0.546	S	S	.	.	H	α-helix	trans	-67.1	-42.1	176.8	-71.9	172.9	0	0	0	111.4	L16 G17 R23 L24	L16-L20 HydrophobicContact CD2-CD1 4.37Å; L16-L20 WeakPolarHBondContact O-CB 3.35Å; L16-L20 VanDerWaalsContact O-CG 3.28Å; L16-L20 WeakPolarHBondContact O-CG 3.36Å; L16-L20 PolarHBondContact O-N 2.96Å; G17-L20 PolarHBondContact O-N 3.44Å; L20-R23 PolarHBondContact O-N 2.82Å; L20-L24 WeakPolarHBondContact O-CB 3.26Å; L20-L24 PolarHBondContact O-N 2.9Å
21	L	82.5	Confident	71.3	Confident	90 Å²	90	102.9 Å²	102.9	47%	0.471	53%	0.532	S	S	.	.	H	α-helix	trans	-63.5	-43.9	173.8	-178.5	62.8	0	0	0	111.3	G17 R23 L24 L25	G17-L21 VanDerWaalsContact O-CB 3.23Å; G17-L21 WeakPolarHBondContact O-CB 3.05Å; G17-L21 PolarHBondContact O-N 3.46Å; L21-R23 PolarHBondContact O-N 3.41Å; L21-L24 WeakPolarHBondContact O-CB 3.33Å; L21-L24 PolarHBondContact O-N 2.88Å; L21-L25 HydrophobicContact CD1-CD1 4.4Å; L21-L25 HydrophobicContact CD1-CG 4.36Å; L21-L25 HydrophobicContact CG-CD1 4.1Å; L21-L25 HydrophobicContact CG-CG 4.48Å; L21-L25 WeakPolarHBondContact O-CB 3.4Å; L21-L25 VanDerWaalsContact O-CG 3.28Å; L21-L25 WeakPolarHBondContact O-CG 3.28Å; L21-L25 PolarHBondContact O-N 3.48Å
22	Y	76.9	Confident	72.3	Confident	139 Å²	139	97.6 Å²	97.6	55%	0.545	51%	0.508	S	S	.	.	H	α-helix	trans	-59.5	-46	174.4	175.9	-104.2	0	0	0	111.7	L18 V19 L24 L25 Q26	L18-Y22 WeakPolarHBondContact O-CB 3.3Å; L18-Y22 PolarHBondContact O-N 2.85Å; V19-Y22 PolarHBondContact O-N 3.22Å; Y22-L24 VanDerWaalsContact C-N 3.32Å; Y22-L24 PolarHBondContact O-N 2.95Å; Y22-L25 PolarHBondContact O-N 3.47Å; Y22-Q26 HydrophobicContact CD1-CG 4.39Å; Y22-Q26 HydrophobicContact CE1-CG 4.04Å; Y22-Q26 HydrophobicContact CE2-CG 4.24Å; Y22-Q26 WeakPolarHBondContact O-CB 3.19Å; Y22-Q26 WeakPolarHBondContact O-CG 3.42Å; Y22-Q26 PolarHBondContact O-N 3.18Å; Y22-Q26 PolarHBondContact OH-NE2 2.99Å
23	R	74.3	Confident	73.4	Confident	150 Å²	150	98.2 Å²	98.2	57%	0.566	51%	0.512	S	S	*	.	H	α-helix	trans	-64	-36.7	175.3	-75.1	179	178.9	-175.5	1.6	112.4	V19 L20 L21 R27	V19-R23 WeakPolarHBondContact O-CB 3.43Å; V19-R23 VanDerWaalsContact O-CG 3.31Å; V19-R23 WeakPolarHBondContact O-CG 3.38Å; V19-R23 PolarHBondContact O-N 3.31Å; L20-R23 PolarHBondContact O-N 2.82Å; L21-R23 PolarHBondContact O-N 3.41Å; R23-R27 WeakPolarHBondContact O-CB 3.45Å; R23-R27 VanDerWaalsContact O-CG 3.26Å; R23-R27 WeakPolarHBondContact O-CG 3.31Å; R23-R27 PolarHBondContact O-N 2.88Å
24	L	75.4	Confident	74.7	Confident	93 Å²	93	93.7 Å²	93.7	49%	0.487	49%	0.489	S	S	.	.	H	α-helix	trans	-65.7	-46.8	174.9	-177.4	67.3	0	0	0	110.6	L20 L21 Y22 Q26 R27 L28	L20-L24 WeakPolarHBondContact O-CB 3.26Å; L20-L24 PolarHBondContact O-N 2.9Å; L21-L24 WeakPolarHBondContact O-CB 3.33Å; L21-L24 PolarHBondContact O-N 2.88Å; Y22-L24 VanDerWaalsContact C-N 3.32Å; Y22-L24 PolarHBondContact O-N 2.95Å; L24-Q26 VanDerWaalsContact C-N 3.34Å; L24-Q26 PolarHBondContact O-N 3.36Å; L24-R27 CarbonylContact O-C 3.58Å; L24-R27 WeakPolarHBondContact O-CB 3.47Å; L24-R27 PolarHBondContact O-N 2.84Å; L24-R27 VanDerWaalsContact O-N 3.09Å; L24-L28 HydrophobicContact CG-CD1 4.14Å; L24-L28 VanDerWaalsContact O-CG 3.3Å; L24-L28 WeakPolarHBondContact O-CG 3.31Å; L24-L28 PolarHBondContact O-N 3.45Å
25	L	74.3	Confident	75.8	Confident	96 Å²	96	96.5 Å²	96.5	50%	0.503	49%	0.492	S	S	.	.	H	α-helix	trans	-63	-39.2	176.3	-69.7	171.8	0	0	0	111.9	L21 Y22 R27 L28 Q29	L21-L25 HydrophobicContact CD1-CD1 4.4Å; L21-L25 HydrophobicContact CD1-CG 4.36Å; L21-L25 HydrophobicContact CG-CD1 4.1Å; L21-L25 HydrophobicContact CG-CG 4.48Å; L21-L25 WeakPolarHBondContact O-CB 3.4Å; L21-L25 VanDerWaalsContact O-CG 3.28Å; L21-L25 WeakPolarHBondContact O-CG 3.28Å; L21-L25 PolarHBondContact O-N 3.48Å; Y22-L25 PolarHBondContact O-N 3.47Å; L25-R27 VanDerWaalsContact C-N 3.32Å; L25-R27 PolarHBondContact O-N 2.97Å; L25-L28 PolarHBondContact O-N 2.84Å; L25-Q29 PolarHBondContact O-N 3.02Å
26	Q	64.9	Low	76.8	Confident	75 Å²	75	97.7 Å²	97.7	35%	0.35	49%	0.49	S	S	.	.	H	α-helix	trans	-64	-35.2	171.7	-76.5	-164.4	-38.7	0	0	112.8	Y22 L24 L28	Y22-Q26 HydrophobicContact CD1-CG 4.39Å; Y22-Q26 HydrophobicContact CE1-CG 4.04Å; Y22-Q26 HydrophobicContact CE2-CG 4.24Å; Y22-Q26 WeakPolarHBondContact O-CB 3.19Å; Y22-Q26 WeakPolarHBondContact O-CG 3.42Å; Y22-Q26 PolarHBondContact O-N 3.18Å; Y22-Q26 PolarHBondContact OH-NE2 2.99Å; L24-Q26 VanDerWaalsContact C-N 3.34Å; L24-Q26 PolarHBondContact O-N 3.36Å; Q26-L28 VanDerWaalsContact C-N 3.34Å
27	R	63.7	Low	77.7	Confident	209 Å²	209	93.8 Å²	93.8	79%	0.789	47%	0.471	S	S	*	.	H	α-helix	trans	-72.1	-29.1	173.9	-76.2	173.8	179.6	-177.6	-0.9	112.8	R23 L24 L25	R23-R27 WeakPolarHBondContact O-CB 3.45Å; R23-R27 VanDerWaalsContact O-CG 3.26Å; R23-R27 WeakPolarHBondContact O-CG 3.31Å; R23-R27 PolarHBondContact O-N 2.88Å; L24-R27 CarbonylContact O-C 3.58Å; L24-R27 WeakPolarHBondContact O-CB 3.47Å; L24-R27 PolarHBondContact O-N 2.84Å; L24-R27 VanDerWaalsContact O-N 3.09Å; L25-R27 VanDerWaalsContact C-N 3.32Å; L25-R27 PolarHBondContact O-N 2.97Å
28	L	61.3	Low	78.5	Confident	120 Å²	120	92 Å²	92	63%	0.628	45%	0.452	S	S	*	.	H	α-helix	trans	-80.7	-21.2	176.7	-70.8	172	0	0	0	112.4	L24 L25 Q26 Q30	L24-L28 HydrophobicContact CG-CD1 4.14Å; L24-L28 VanDerWaalsContact O-CG 3.3Å; L24-L28 WeakPolarHBondContact O-CG 3.31Å; L24-L28 PolarHBondContact O-N 3.45Å; L25-L28 PolarHBondContact O-N 2.84Å; Q26-L28 VanDerWaalsContact C-N 3.34Å; L28-Q30 PolarHBondContact O-N 2.88Å; L28-Q30 VanDerWaalsContact O-N 3.16Å
29	Q	61.6	Low	79.3	Confident	128 Å²	128	86.3 Å²	86.3	60%	0.598	42%	0.423	S	S	*	.	S	Bend	trans	-65.1	112	167.7	-78.5	-177.5	-31	0	0	109.2	L25 G31	L25-Q29 PolarHBondContact O-N 3.02Å; Q29-G31 PolarHBondContact O-N 3.46Å
30	Q	60.6	Low	80.3	Confident	196 Å²	196	83 Å²	83	92%	0.916	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-64.1	117.4	171.9	-65	-159.4	9.1	0	0	109.1	L28	L28-Q30 PolarHBondContact O-N 2.88Å; L28-Q30 VanDerWaalsContact O-N 3.16Å
31	G	66.4	Low	81	Confident	23 Å²	23	78.1 Å²	78.1	24%	0.237	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-72	156.3	175.9	0	0	0	0	0	112	Q29 H267	Q29-G31 PolarHBondContact O-N 3.46Å; G31-H267 CarbonylContact C-O 3.59Å; G31-H267 WeakPolarHBondContact CA-O 3.41Å
32	A	78.8	Confident	81.8	Confident	26 Å²	26	74 Å²	74	22%	0.215	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-71.1	130.2	175.9	0	0	0	0	0	110.8	I34 H267	A32-I34 PolarHBondContact O-N 3.1Å; A32-H267 PolarHBondContact N-O 3.46Å; A32-H267 PolarHBondContact O-ND1 3.14Å
33	T	87.2	Confident	82.8	Confident	104 Å²	104	68.2 Å²	68.2	64%	0.638	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-62.1	129.1	170.6	-58.7	0	0	0	0	109.9	Q35 T37	T33-Q35 HydrophobicContact CG2-CB 3.85Å; T33-T37 VanDerWaalsContact O-CG2 3.23Å; T33-T37 WeakPolarHBondContact O-CG2 3.12Å
34	I	93.2	Very high	83.9	Confident	17 Å²	17	61 Å²	61	9%	0.087	31%	0.311	C	S	.	.			trans	-89.5	-25.4	178.2	-55.4	-59.6	0	0	0	111.9	A32 D36 T37 F56 A59 A61 L263 V266	A32-I34 PolarHBondContact O-N 3.1Å; I34-D36 PolarHBondContact O-N 2.95Å; I34-T37 WeakPolarHBondContact O-CB 3.42Å; I34-T37 WeakPolarHBondContact O-CG2 3.47Å; I34-T37 PolarHBondContact O-N 3.23Å; I34-T37 PolarHBondContact O-OG1 3.41Å; I34-F56 HydrophobicContact CG2-CD1 3.81Å; I34-F56 HydrophobicContact CG2-CE1 4.13Å; I34-A59 HydrophobicContact CB-CB 4.31Å; I34-A59 HydrophobicContact CG2-CB 3.87Å; I34-A61 HydrophobicContact CG2-CB 4.21Å; I34-L263 HydrophobicContact CB-CD1 4.36Å; I34-L263 HydrophobicContact CG1-CD1 3.94Å; I34-L263 HydrophobicContact CG2-CD1 3.86Å; I34-V266 HydrophobicContact CD1-CB 4.1Å; I34-V266 HydrophobicContact CD1-CG1 3.47Å; I34-V266 VanDerWaalsContact CD1-CG1 3.47Å
35	Q	93.7	Very high	84.8	Confident	95 Å²	95	57.6 Å²	57.6	44%	0.444	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	136.3	176.7	175.9	172.8	-2	0	0	110.5	T33 T37 A59 K60	T33-Q35 HydrophobicContact CG2-CB 3.85Å; Q35-T37 PolarHBondContact O-N 3Å; Q35-A59 WeakPolarHBondContact CA-O 3.44Å; Q35-K60 HydrophobicContact CB-CB 4.44Å; Q35-K60 HydrophobicContact CG-CB 4.02Å; Q35-K60 HydrophobicContact CG-CD 4.43Å
36	D	95.3	Very high	85.8	Confident	58 Å²	58	54.9 Å²	54.9	31%	0.31	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	65	-0.4	178.6	-56	-37.2	0	0	0	115.7	I34 K60 R62 Y92	I34-D36 PolarHBondContact O-N 2.95Å; D36-K60 PolarHBondContact N-O 3.28Å; D36-R62 PolarHBondContact O-NH1 3.31Å; D36-R62 IonicContact OD1-NH2 3.3Å; D36-Y92 WeakPolarHBondContact OD1-CE2 3.16Å; D36-Y92 VanDerWaalsContact OD1-CZ 3.23Å; D36-Y92 PolarHBondContact OD1-OH 3.05Å
37	T	97	Very high	87.2	Confident	22 Å²	22	52.6 Å²	52.6	14%	0.135	28%	0.28	C	S	.	.			trans	-69	143	174.9	63.1	0	0	0	0	111.4	T33 I34 Q35 V39 R62 D123	T33-T37 VanDerWaalsContact O-CG2 3.23Å; T33-T37 WeakPolarHBondContact O-CG2 3.12Å; I34-T37 WeakPolarHBondContact O-CB 3.42Å; I34-T37 WeakPolarHBondContact O-CG2 3.47Å; I34-T37 PolarHBondContact O-N 3.23Å; I34-T37 PolarHBondContact O-OG1 3.41Å; Q35-T37 PolarHBondContact O-N 3Å; T37-V39 WeakPolarHBondContact OG1-CG2 3.48Å; T37-R62 PolarHBondContact O-N 3.42Å; T37-D123 WeakPolarHBondContact CA-OD2 3.46Å
38	V	98.5	Very high	88.9	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	112.3	174.1	-175	0	0	0	0	109.9	R62 V64 Y119 H121 D123 V124	V38-R62 CarbonylContact C-O 3.59Å; V38-R62 WeakPolarHBondContact CA-O 3.16Å; V38-R62 HydrophobicContact CG2-CB 4.29Å; V38-V64 HydrophobicContact CG1-CG2 4.37Å; V38-Y119 HydrophobicContact CG1-CD2 3.71Å; V38-Y119 HydrophobicContact CG1-CG 4.2Å; V38-Y119 HydrophobicContact CG2-CD2 4.31Å; V38-Y119 HydrophobicContact CG2-CG 4.04Å; V38-H121 VanDerWaalsContact CG1-O 3.23Å; V38-H121 WeakPolarHBondContact CG1-O 3.46Å; V38-D123 PolarHBondContact N-OD2 2.86Å; V38-D123 PolarHBondContact O-N 3.27Å; V38-V124 PolarHBondContact O-N 2.64Å
39	V	98.8	Very high	90.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	117.9	-174.5	-175.8	0	0	0	0	110.2	T37 I41 F56 A61 R62 L63 V64 V124 I126	T37-V39 WeakPolarHBondContact OG1-CG2 3.48Å; V39-I41 HydrophobicContact CG1-CD1 4.31Å; V39-I41 HydrophobicContact CG1-CG1 3.96Å; V39-F56 HydrophobicContact CB-CD1 4.38Å; V39-F56 HydrophobicContact CG1-CD1 3.94Å; V39-F56 HydrophobicContact CG1-CE1 4.21Å; V39-F56 HydrophobicContact CG1-CG 4.32Å; V39-F56 HydrophobicContact CG2-CD1 3.86Å; V39-F56 HydrophobicContact CG2-CE1 4.28Å; V39-A61 HydrophobicContact CB-CB 4.4Å; V39-A61 HydrophobicContact CG2-CB 3.72Å; V39-R62 PolarHBondContact N-O 3.47Å; V39-L63 HydrophobicContact CB-CD2 3.86Å; V39-L63 HydrophobicContact CG1-CD2 4.37Å; V39-L63 WeakPolarHBondContact O-CA 3.42Å; V39-V64 PolarHBondContact O-N 3.24Å; V39-V124 CarbonylContact C-O 3.53Å; V39-V124 WeakPolarHBondContact CA-O 3.25Å; V39-V124 HydrophobicContact CB-CB 4.41Å; V39-V124 HydrophobicContact CG1-CB 4.17Å; V39-V124 HydrophobicContact CG1-CG1 4.37Å; V39-V124 HydrophobicContact CG2-CB 4.03Å; V39-V124 HydrophobicContact CG2-CG2 4.21Å; V39-I126 HydrophobicContact CG1-CD1 3.86Å; V39-I126 HydrophobicContact CG1-CG1 4.17Å
40	V	98.9	Very high	92.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	128.9	175.7	179.6	0	0	0	0	108.9	V64 I115 V122 V124 L125 I126	V40-V64 WeakPolarHBondContact CA-O 3.41Å; V40-V64 HydrophobicContact CG2-CB 4.07Å; V40-V64 HydrophobicContact CG2-CG2 4.39Å; V40-I115 HydrophobicContact CG1-CD1 4.09Å; V40-I115 HydrophobicContact CG1-CG2 4.25Å; V40-I115 HydrophobicContact CG2-CG2 3.42Å; V40-I115 VanDerWaalsContact CG2-CG2 3.42Å; V40-V122 HydrophobicContact CB-CG1 4.25Å; V40-V122 HydrophobicContact CG2-CB 4.21Å; V40-V122 HydrophobicContact CG2-CG1 3.55Å; V40-V122 HydrophobicContact CG2-CG2 3.57Å; V40-V124 PolarHBondContact N-O 3.02Å; V40-L125 HydrophobicContact CB-CD1 3.96Å; V40-L125 HydrophobicContact CG1-CD1 3.78Å; V40-I126 PolarHBondContact O-N 2.99Å
41	I	98.9	Very high	94.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	115.2	-178.4	-51.6	178.9	0	0	0	109.8	V39 A44 C52 A53 L63 V64 L65 C66 I126	V39-I41 HydrophobicContact CG1-CD1 4.31Å; V39-I41 HydrophobicContact CG1-CG1 3.96Å; I41-A44 HydrophobicContact CB-CB 4.31Å; I41-A44 HydrophobicContact CG2-CB 4.15Å; I41-C52 HydrophobicContact CD1-CB 4.1Å; I41-C52 HydrophobicContact CG2-CB 4.34Å; I41-A53 HydrophobicContact CD1-CB 4.2Å; I41-L63 HydrophobicContact CD1-CD2 4.42Å; I41-V64 PolarHBondContact N-O 3.14Å; I41-L65 HydrophobicContact CD1-CD2 4.38Å; I41-C66 WeakPolarHBondContact O-CB 3.11Å; I41-C66 PolarHBondContact O-N 3.22Å; I41-I126 HydrophobicContact CD1-CD1 4.49Å; I41-I126 HydrophobicContact CG1-CB 4.41Å; I41-I126 HydrophobicContact CG1-CD1 4.18Å
42	T	98.6	Very high	95.7	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.018	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	145.2	173.4	59.7	0	0	0	0	111.8	A44 C66 I126 N127 N128 A129 L159	T42-A44 VanDerWaalsContact C-N 3.28Å; T42-A44 PolarHBondContact O-N 2.95Å; T42-C66 HydrophobicContact CG2-CB 4.3Å; T42-I126 PolarHBondContact N-O 2.99Å; T42-I126 PolarHBondContact OG1-O 3Å; T42-N127 WeakPolarHBondContact OG1-CA 3.49Å; T42-N128 VanDerWaalsContact O-CB 3.32Å; T42-N128 WeakPolarHBondContact O-CB 3.23Å; T42-N128 PolarHBondContact O-ND2 3.03Å; T42-N128 PolarHBondContact OG1-N 3.32Å; T42-A129 PolarHBondContact O-N 2.89Å; T42-A129 PolarHBondContact OG1-N 3.22Å; T42-A129 VanDerWaalsContact OG1-N 3.15Å; T42-L159 HydrophobicContact CG2-CD2 3.43Å; T42-L159 VanDerWaalsContact CG2-CD2 3.43Å
43	G	97	Very high	96.6	Very high	17 Å²	17	25.4 Å²	25.4	18%	0.175	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	33.2	-176.3	0	0	0	0	0	112	S45 C66 N128	G43-S45 PolarHBondContact O-N 3.02Å; G43-C66 PolarHBondContact N-O 3.17Å; G43-N128 PolarHBondContact O-ND2 3.34Å
44	A	97.6	Very high	97.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-13.9	-174.3	0	0	0	0	0	114	I41 T42 S46 R50 L65 C66 L73	I41-A44 HydrophobicContact CB-CB 4.31Å; I41-A44 HydrophobicContact CG2-CB 4.15Å; T42-A44 VanDerWaalsContact C-N 3.28Å; T42-A44 PolarHBondContact O-N 2.95Å; A44-S46 VanDerWaalsContact C-N 3.29Å; A44-S46 PolarHBondContact O-N 3.22Å; A44-R50 VanDerWaalsContact O-CA 3.27Å; A44-R50 WeakPolarHBondContact O-CA 3.19Å; A44-R50 WeakPolarHBondContact O-CB 3.36Å; A44-R50 PolarHBondContact O-N 2.77Å; A44-L65 HydrophobicContact CB-CB 3.86Å; A44-L65 HydrophobicContact CB-CD2 4.01Å; A44-L65 HydrophobicContact CB-CG 4.43Å; A44-C66 PolarHBondContact N-O 2.72Å; A44-C66 VanDerWaalsContact N-O 3.08Å; A44-L73 HydrophobicContact CB-CD2 3.9Å
45	S	95.8	Very high	97.3	Very high	20 Å²	20	23.3 Å²	23.3	14%	0.14	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-11.6	-175.3	60.5	0	0	0	0	114.9	G43	G43-S45 PolarHBondContact O-N 3.02Å
46	S	94.1	Very high	97.5	Very high	40 Å²	40	18.8 Å²	18.8	28%	0.28	10%	0.104	S	C	.	.	S	Bend	trans	-160.1	170.8	-179.1	68.9	0	0	0	0	114.1	A44 L48 G49 R50	A44-S46 VanDerWaalsContact C-N 3.29Å; A44-S46 PolarHBondContact O-N 3.22Å; S46-L48 PolarHBondContact O-N 3.43Å; S46-G49 PolarHBondContact O-N 2.91Å; S46-R50 PolarHBondContact O-N 3.38Å
47	G	95.4	Very high	97.6	Very high	27 Å²	27	16.3 Å²	16.3	28%	0.278	9%	0.091	S	C	.	.	H	α-helix	trans	54.8	-133.7	170.3	0	0	0	0	0	113.4	G49 R50 E51	G47-G49 VanDerWaalsContact C-N 3.32Å; G47-G49 PolarHBondContact O-N 2.71Å; G47-R50 PolarHBondContact O-N 3.48Å; G47-E51 PolarHBondContact O-N 3.39Å
48	L	97.6	Very high	97.6	Very high	11 Å²	11	17.9 Å²	17.9	6%	0.058	11%	0.106	C	C	.	.	H	α-helix	trans	-62.3	-37	-180	179	61.5	0	0	0	112.8	S46 R50 E51 C52 I178 I226 P255 V258 A259	S46-L48 PolarHBondContact O-N 3.43Å; L48-R50 PolarHBondContact O-N 2.99Å; L48-E51 PolarHBondContact O-N 3.08Å; L48-C52 WeakPolarHBondContact O-CB 3.49Å; L48-C52 PolarHBondContact O-N 3.43Å; L48-C52 PolarHBondContact O-SG 2.87Å; L48-C52 VanDerWaalsContact O-SG 3.35Å; L48-I178 HydrophobicContact CD2-CD1 4.26Å; L48-I178 HydrophobicContact CD2-CG1 4.15Å; L48-I178 HydrophobicContact CD2-CG2 3.81Å; L48-I226 HydrophobicContact CD2-CD1 3.97Å; L48-P255 WeakPolarHBondContact CD1-O 3.41Å; L48-V258 HydrophobicContact CD1-CB 3.75Å; L48-V258 HydrophobicContact CD1-CG1 3.67Å; L48-V258 HydrophobicContact CD2-CG1 3.94Å; L48-V258 HydrophobicContact CG-CG1 4.49Å; L48-A259 HydrophobicContact CD1-CB 4.11Å
49	G	97.8	Very high	97.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.9	-41.5	-178.9	0	0	0	0	0	112.5	S46 G47 C52 A53 N128	S46-G49 PolarHBondContact O-N 2.91Å; G47-G49 VanDerWaalsContact C-N 3.32Å; G47-G49 PolarHBondContact O-N 2.71Å; G49-C52 WeakPolarHBondContact O-CB 3.39Å; G49-C52 PolarHBondContact O-N 3.19Å; G49-A53 PolarHBondContact O-N 3.06Å; G49-N128 VanDerWaalsContact CA-ND2 3.31Å; G49-N128 WeakPolarHBondContact CA-ND2 3.43Å; G49-N128 PolarHBondContact N-ND2 3.18Å
50	R	98.1	Very high	97.3	Very high	86 Å²	86	22.7 Å²	22.7	33%	0.325	13%	0.132	S	C	.	.	H	α-helix	trans	-61.6	-44	173.7	180	175.5	178	-163.7	7.8	111.6	A44 S46 G47 L48 A53 R54 V76 E79	A44-R50 VanDerWaalsContact O-CA 3.27Å; A44-R50 WeakPolarHBondContact O-CA 3.19Å; A44-R50 WeakPolarHBondContact O-CB 3.36Å; A44-R50 PolarHBondContact O-N 2.77Å; S46-R50 PolarHBondContact O-N 3.38Å; G47-R50 PolarHBondContact O-N 3.48Å; L48-R50 PolarHBondContact O-N 2.99Å; R50-A53 WeakPolarHBondContact O-CB 3.32Å; R50-A53 PolarHBondContact O-N 3.39Å; R50-R54 PolarHBondContact O-N 2.96Å; R50-V76 HydrophobicContact CB-CG2 4.46Å; R50-V76 HydrophobicContact CG-CG1 4.36Å; R50-V76 HydrophobicContact CG-CG2 3.82Å; R50-E79 IonicContact CZ-OE1 3.3Å; R50-E79 IonicContact CZ-OE2 2.86Å; R50-E79 IonicContact NE-OE2 2.83Å; R50-E79 PolarHBondContact NE-OE2 3.21Å; R50-E79 IonicContact NH2-OE1 2.84Å; R50-E79 PolarHBondContact NH2-OE1 3.48Å; R50-E79 IonicContact NH2-OE2 3.53Å; R50-E79 PolarHBondContact NH2-OE2 3.26Å
51	E	98.3	Very high	97.2	Very high	34 Å²	34	22.7 Å²	22.7	16%	0.159	13%	0.132	C	C	.	.	H	α-helix	trans	-69	-35.1	177.3	-67.1	-52.3	123.4	0	0	112.7	G47 L48 A53 R54 V55 P255 A259	G47-E51 PolarHBondContact O-N 3.39Å; L48-E51 PolarHBondContact O-N 3.08Å; E51-A53 VanDerWaalsContact C-N 3.32Å; E51-A53 PolarHBondContact O-N 3.48Å; E51-R54 PolarHBondContact O-N 3.04Å; E51-R54 IonicContact OE1-CZ 3.01Å; E51-R54 IonicContact OE1-NE 3.95Å; E51-R54 PolarHBondContact OE1-NE 3.01Å; E51-R54 IonicContact OE1-NH2 2.84Å; E51-R54 WeakPolarHBondContact OE2-CD 3.37Å; E51-R54 IonicContact OE2-NE 2.61Å; E51-V55 WeakPolarHBondContact O-CG1 3.48Å; E51-V55 PolarHBondContact O-N 2.7Å; E51-P255 HydrophobicContact CB-CB 4.39Å; E51-P255 HydrophobicContact CG-CB 3.79Å; E51-A259 HydrophobicContact CB-CB 3.76Å
52	C	98.6	Very high	97.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58.3	-45.6	168.5	-74.1	0	0	0	0	110.5	I41 L48 G49 R54 V55 F56	I41-C52 HydrophobicContact CD1-CB 4.1Å; I41-C52 HydrophobicContact CG2-CB 4.34Å; L48-C52 WeakPolarHBondContact O-CB 3.49Å; L48-C52 PolarHBondContact O-N 3.43Å; L48-C52 PolarHBondContact O-SG 2.87Å; L48-C52 VanDerWaalsContact O-SG 3.35Å; G49-C52 WeakPolarHBondContact O-CB 3.39Å; G49-C52 PolarHBondContact O-N 3.19Å; C52-R54 VanDerWaalsContact C-N 3.32Å; C52-R54 PolarHBondContact O-N 2.93Å; C52-V55 WeakPolarHBondContact O-CG2 3.42Å; C52-V55 PolarHBondContact O-N 3.18Å; C52-F56 WeakPolarHBondContact O-CB 3.25Å; C52-F56 VanDerWaalsContact O-CD2 3.26Å; C52-F56 WeakPolarHBondContact O-CD2 3.21Å; C52-F56 PolarHBondContact O-N 3.03Å
53	A	98.5	Very high	97.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-57.5	-44.8	176	0	0	0	0	0	111.6	I41 G49 R50 E51 H57 L63 L65 V76 L80	I41-A53 HydrophobicContact CD1-CB 4.2Å; G49-A53 PolarHBondContact O-N 3.06Å; R50-A53 WeakPolarHBondContact O-CB 3.32Å; R50-A53 PolarHBondContact O-N 3.39Å; E51-A53 VanDerWaalsContact C-N 3.32Å; E51-A53 PolarHBondContact O-N 3.48Å; A53-H57 WeakPolarHBondContact O-CB 3.39Å; A53-H57 PolarHBondContact O-N 3.48Å; A53-L63 HydrophobicContact CB-CD1 4.28Å; A53-L63 VanDerWaalsContact O-CD1 3.29Å; A53-L63 WeakPolarHBondContact O-CD1 3.15Å; A53-L65 HydrophobicContact CB-CD1 4.46Å; A53-L65 HydrophobicContact CB-CD2 3.69Å; A53-V76 HydrophobicContact CB-CG1 4.21Å; A53-L80 HydrophobicContact CB-CD1 4.08Å
54	R	97.8	Very high	97.3	Very high	69 Å²	69	24.9 Å²	24.9	26%	0.26	14%	0.135	S	C	.	.	H	α-helix	trans	-58.1	-52.7	175.3	-64.6	-175.5	-162.5	-99.2	0.2	113.3	R50 E51 C52 F56 H57 A58 E79 L80	R50-R54 PolarHBondContact O-N 2.96Å; E51-R54 PolarHBondContact O-N 3.04Å; E51-R54 IonicContact OE1-CZ 3.01Å; E51-R54 IonicContact OE1-NE 3.95Å; E51-R54 PolarHBondContact OE1-NE 3.01Å; E51-R54 IonicContact OE1-NH2 2.84Å; E51-R54 WeakPolarHBondContact OE2-CD 3.37Å; E51-R54 IonicContact OE2-NE 2.61Å; C52-R54 VanDerWaalsContact C-N 3.32Å; C52-R54 PolarHBondContact O-N 2.93Å; R54-F56 PolarHBondContact O-N 3.32Å; R54-H57 PolarHBondContact O-N 2.97Å; R54-A58 WeakPolarHBondContact O-CB 3.43Å; R54-A58 PolarHBondContact O-N 2.77Å; R54-E79 IonicContact CZ-OE1 3.73Å; R54-E79 IonicContact CZ-OE2 2.72Å; R54-E79 IonicContact NH1-OE1 3.46Å; R54-E79 PolarHBondContact NH1-OE1 3.08Å; R54-E79 IonicContact NH1-OE2 3.47Å; R54-E79 IonicContact NH2-OE1 3.84Å; R54-E79 PolarHBondContact NH2-OE1 3.11Å; R54-E79 IonicContact NH2-OE2 3.72Å; R54-E79 PolarHBondContact NH2-OE2 2.97Å; R54-E79 VanDerWaalsContact NH2-OE2 3.14Å; R54-L80 VanDerWaalsContact CA-CD2 3.49Å; R54-L80 HydrophobicContact CB-CD2 4.16Å; R54-L80 HydrophobicContact CG-CD2 3.86Å
55	V	97.5	Very high	97.3	Very high	8 Å²	8	24.9 Å²	24.9	5%	0.048	14%	0.135	C	C	.	.	H	α-helix	trans	-70.7	-34.6	-172.8	-56.8	0	0	0	0	112.1	E51 C52 A59 A259 Q260 L263	E51-V55 WeakPolarHBondContact O-CG1 3.48Å; E51-V55 PolarHBondContact O-N 2.7Å; C52-V55 WeakPolarHBondContact O-CG2 3.42Å; C52-V55 PolarHBondContact O-N 3.18Å; V55-A59 WeakPolarHBondContact O-CB 3.23Å; V55-A59 PolarHBondContact O-N 3.46Å; V55-A59 VanDerWaalsContact O-N 3.12Å; V55-A259 HydrophobicContact CG1-CB 4.04Å; V55-A259 HydrophobicContact CG2-CB 3.89Å; V55-Q260 HydrophobicContact CG1-CG 4.08Å; V55-Q260 VanDerWaalsContact CG1-NE2 3.27Å; V55-L263 HydrophobicContact CB-CD2 4.35Å; V55-L263 HydrophobicContact CG2-CB 4.22Å
56	F	98.1	Very high	97.5	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-76.4	-34.1	176.5	-80.5	-96.3	0	0	0	112.2	I34 V39 C52 R54 A59 K60 A61 L63 I126 V262 L263 V266	I34-F56 HydrophobicContact CG2-CD1 3.81Å; I34-F56 HydrophobicContact CG2-CE1 4.13Å; V39-F56 HydrophobicContact CB-CD1 4.38Å; V39-F56 HydrophobicContact CG1-CD1 3.94Å; V39-F56 HydrophobicContact CG1-CE1 4.21Å; V39-F56 HydrophobicContact CG1-CG 4.32Å; V39-F56 HydrophobicContact CG2-CD1 3.86Å; V39-F56 HydrophobicContact CG2-CE1 4.28Å; C52-F56 WeakPolarHBondContact O-CB 3.25Å; C52-F56 VanDerWaalsContact O-CD2 3.26Å; C52-F56 WeakPolarHBondContact O-CD2 3.21Å; C52-F56 PolarHBondContact O-N 3.03Å; R54-F56 PolarHBondContact O-N 3.32Å; F56-A59 CarbonylContact O-C 3.43Å; F56-A59 WeakPolarHBondContact O-CA 3.26Å; F56-A59 WeakPolarHBondContact O-CB 3.46Å; F56-A59 PolarHBondContact O-N 2.69Å; F56-K60 PolarHBondContact O-N 2.97Å; F56-A61 HydrophobicContact CB-CB 4.2Å; F56-A61 HydrophobicContact CD1-CB 4.44Å; F56-A61 VanDerWaalsContact O-CB 3.28Å; F56-A61 WeakPolarHBondContact O-CB 3.46Å; F56-A61 PolarHBondContact O-N 3.24Å; F56-L63 HydrophobicContact CB-CD2 3.82Å; F56-I126 HydrophobicContact CD2-CD1 4.22Å; F56-I126 HydrophobicContact CE1-CD1 4.33Å; F56-I126 HydrophobicContact CE2-CD1 3.64Å; F56-I126 HydrophobicContact CZ-CD1 3.69Å; F56-V262 HydrophobicContact CE2-CG1 4.12Å; F56-V262 HydrophobicContact CZ-CG1 4.36Å; F56-L263 HydrophobicContact CD1-CD1 3.72Å; F56-L263 HydrophobicContact CD2-CD1 4.13Å; F56-L263 HydrophobicContact CE1-CD1 3.62Å; F56-L263 HydrophobicContact CE2-CB 4.06Å; F56-L263 HydrophobicContact CE2-CD1 4.02Å; F56-L263 HydrophobicContact CG-CD1 4Å; F56-L263 HydrophobicContact CZ-CB 4.24Å; F56-L263 HydrophobicContact CZ-CD1 3.78Å; F56-V266 HydrophobicContact CE1-CB 4.39Å; F56-V266 HydrophobicContact CE1-CG1 4.41Å; F56-V266 HydrophobicContact CE1-CG2 4.27Å; F56-V266 HydrophobicContact CZ-CB 4.24Å; F56-V266 HydrophobicContact CZ-CG2 3.82Å
57	H	97.7	Very high	97.6	Very high	6 Å²	6	22.6 Å²	22.6	3%	0.028	12%	0.12	C	C	.	.	H	α-helix	trans	-63.1	-46.4	172.7	-172.7	-107.1	0	0	0	111.5	A53 R54 A59 K60 L63 L80 T91 Y92	A53-H57 WeakPolarHBondContact O-CB 3.39Å; A53-H57 PolarHBondContact O-N 3.48Å; R54-H57 PolarHBondContact O-N 2.97Å; H57-A59 PolarHBondContact O-N 3.32Å; H57-K60 WeakPolarHBondContact O-CA 3.41Å; H57-K60 PolarHBondContact O-N 3.3Å; H57-L63 HydrophobicContact CB-CD1 3.7Å; H57-L80 HydrophobicContact CB-CD1 4.26Å; H57-L80 HydrophobicContact CB-CD2 3.98Å; H57-L80 PolarHBondContact CE1-O 3.33Å; H57-L80 VanDerWaalsContact CE1-O 3.28Å; H57-T91 PolarHBondContact CE1-OG1 2.81Å; H57-T91 PolarHBondContact NE2-OG1 2.88Å; H57-Y92 PolarHBondContact NE2-O 3.49Å
58	A	95.5	Very high	97.6	Very high	55 Å²	55	28.2 Å²	28.2	46%	0.455	13%	0.133	S	C	.	.	H	α-helix	trans	-62.5	-26.6	173.7	0	0	0	0	0	112.8	R54 K60	R54-A58 WeakPolarHBondContact O-CB 3.43Å; R54-A58 PolarHBondContact O-N 2.77Å; A58-K60 PolarHBondContact O-N 2.87Å
59	A	95.1	Very high	97.5	Very high	27 Å²	27	30.9 Å²	30.9	22%	0.223	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	9.1	171.5	0	0	0	0	0	113.6	I34 Q35 V55 F56 H57 A61 L263	I34-A59 HydrophobicContact CB-CB 4.31Å; I34-A59 HydrophobicContact CG2-CB 3.87Å; Q35-A59 WeakPolarHBondContact CA-O 3.44Å; V55-A59 WeakPolarHBondContact O-CB 3.23Å; V55-A59 PolarHBondContact O-N 3.46Å; V55-A59 VanDerWaalsContact O-N 3.12Å; F56-A59 CarbonylContact O-C 3.43Å; F56-A59 WeakPolarHBondContact O-CA 3.26Å; F56-A59 WeakPolarHBondContact O-CB 3.46Å; F56-A59 PolarHBondContact O-N 2.69Å; H57-A59 PolarHBondContact O-N 3.32Å; A59-A61 VanDerWaalsContact C-N 3.28Å; A59-A61 PolarHBondContact O-N 2.97Å; A59-L263 HydrophobicContact CB-CD1 4.09Å; A59-L263 HydrophobicContact CB-CD2 4.33Å
60	K	96.1	Very high	97.5	Very high	74 Å²	74	31.9 Å²	31.9	32%	0.322	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	30.4	179.5	-54.4	178.6	179.8	178.4	0	114.1	Q35 D36 F56 H57 A58	Q35-K60 HydrophobicContact CB-CB 4.44Å; Q35-K60 HydrophobicContact CG-CB 4.02Å; Q35-K60 HydrophobicContact CG-CD 4.43Å; D36-K60 PolarHBondContact N-O 3.28Å; F56-K60 PolarHBondContact O-N 2.97Å; H57-K60 WeakPolarHBondContact O-CA 3.41Å; H57-K60 PolarHBondContact O-N 3.3Å; A58-K60 PolarHBondContact O-N 2.87Å
61	A	97.6	Very high	97.5	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.168	C	C	.	.			trans	-74.4	151.8	170	0	0	0	0	0	111.2	I34 V39 F56 A59 L63	I34-A61 HydrophobicContact CG2-CB 4.21Å; V39-A61 HydrophobicContact CB-CB 4.4Å; V39-A61 HydrophobicContact CG2-CB 3.72Å; F56-A61 HydrophobicContact CB-CB 4.2Å; F56-A61 HydrophobicContact CD1-CB 4.44Å; F56-A61 VanDerWaalsContact O-CB 3.28Å; F56-A61 WeakPolarHBondContact O-CB 3.46Å; F56-A61 PolarHBondContact O-N 3.24Å; A59-A61 VanDerWaalsContact C-N 3.28Å; A59-A61 PolarHBondContact O-N 2.97Å; A61-L63 HydrophobicContact CB-CD2 3.85Å
62	R	98.2	Very high	97.4	Very high	65 Å²	65	34.3 Å²	34.3	25%	0.245	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	111.7	169.5	-68.5	179.2	-175.4	116.7	0.2	108.3	D36 T37 V38 V39 Y92 Y119	D36-R62 PolarHBondContact O-NH1 3.31Å; D36-R62 IonicContact OD1-NH2 3.3Å; T37-R62 PolarHBondContact O-N 3.42Å; V38-R62 CarbonylContact C-O 3.59Å; V38-R62 WeakPolarHBondContact CA-O 3.16Å; V38-R62 HydrophobicContact CG2-CB 4.29Å; V39-R62 PolarHBondContact N-O 3.47Å; R62-Y92 HydrophobicContact CG-CD1 4Å; R62-Y92 HydrophobicContact CG-CD2 3.52Å; R62-Y92 HydrophobicContact CG-CE1 4.28Å; R62-Y92 HydrophobicContact CG-CE2 3.82Å; R62-Y92 HydrophobicContact CG-CG 3.62Å; R62-Y92 PolarHBondContact NH2-OH 3.11Å; R62-Y119 HydrophobicContact CB-CD1 4.33Å; R62-Y119 HydrophobicContact CB-CD2 4.19Å; R62-Y119 HydrophobicContact CB-CE1 4.04Å; R62-Y119 HydrophobicContact CB-CE2 3.86Å; R62-Y119 HydrophobicContact CB-CG 4.4Å; R62-Y119 HydrophobicContact CG-CD1 4.48Å; R62-Y119 HydrophobicContact CG-CE1 4.14Å
63	L	98.7	Very high	97.4	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	136.9	-170	-60.7	-169.3	0	0	0	112.4	V39 I41 A53 F56 H57 A61 L65 L80 P94 C95	V39-L63 HydrophobicContact CB-CD2 3.86Å; V39-L63 HydrophobicContact CG1-CD2 4.37Å; V39-L63 WeakPolarHBondContact O-CA 3.42Å; I41-L63 HydrophobicContact CD1-CD2 4.42Å; A53-L63 HydrophobicContact CB-CD1 4.28Å; A53-L63 VanDerWaalsContact O-CD1 3.29Å; A53-L63 WeakPolarHBondContact O-CD1 3.15Å; F56-L63 HydrophobicContact CB-CD2 3.82Å; H57-L63 HydrophobicContact CB-CD1 3.7Å; A61-L63 HydrophobicContact CB-CD2 3.85Å; L63-L65 HydrophobicContact CB-CD2 4.01Å; L63-L65 HydrophobicContact CB-CG 4.46Å; L63-L65 HydrophobicContact CD1-CD2 4.13Å; L63-L80 HydrophobicContact CD1-CD1 4.22Å; L63-P94 HydrophobicContact CB-CB 3.96Å; L63-P94 HydrophobicContact CB-CG 4.37Å; L63-P94 WeakPolarHBondContact O-CA 3.45Å; L63-C95 PolarHBondContact O-N 2.53Å
64	V	98.8	Very high	97.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	109.7	162.6	-173	0	0	0	0	107.6	V38 V39 V40 I41 C95 V97 I115 C118 Y119	V38-V64 HydrophobicContact CG1-CG2 4.37Å; V39-V64 PolarHBondContact O-N 3.24Å; V40-V64 WeakPolarHBondContact CA-O 3.41Å; V40-V64 HydrophobicContact CG2-CB 4.07Å; V40-V64 HydrophobicContact CG2-CG2 4.39Å; I41-V64 PolarHBondContact N-O 3.14Å; V64-C95 HydrophobicContact CG1-CB 4.48Å; V64-C95 HydrophobicContact CG2-CB 4.39Å; V64-V97 HydrophobicContact CG1-CB 4.45Å; V64-V97 HydrophobicContact CG1-CG2 3.72Å; V64-I115 HydrophobicContact CG1-CB 4.5Å; V64-I115 HydrophobicContact CG1-CG1 4.04Å; V64-I115 HydrophobicContact CG1-CG2 4.37Å; V64-C118 HydrophobicContact CG2-CB 3.96Å; V64-Y119 HydrophobicContact CG2-CD2 3.85Å; V64-Y119 HydrophobicContact CG2-CE2 3.91Å
65	L	98.8	Very high	97.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	120.6	-175.5	-54.7	-174.8	0	0	0	109.8	I41 A44 A53 L63 L73 V76 V77 L80 P94 C95 M96 V97	I41-L65 HydrophobicContact CD1-CD2 4.38Å; A44-L65 HydrophobicContact CB-CB 3.86Å; A44-L65 HydrophobicContact CB-CD2 4.01Å; A44-L65 HydrophobicContact CB-CG 4.43Å; A53-L65 HydrophobicContact CB-CD1 4.46Å; A53-L65 HydrophobicContact CB-CD2 3.69Å; L63-L65 HydrophobicContact CB-CD2 4.01Å; L63-L65 HydrophobicContact CB-CG 4.46Å; L63-L65 HydrophobicContact CD1-CD2 4.13Å; L65-L73 HydrophobicContact CB-CD2 4.1Å; L65-V76 HydrophobicContact CD1-CG1 3.89Å; L65-V77 HydrophobicContact CD1-CG2 3.98Å; L65-L80 HydrophobicContact CD1-CD1 4.2Å; L65-P94 HydrophobicContact CD1-CB 3.98Å; L65-P94 HydrophobicContact CG-CB 4.09Å; L65-C95 PolarHBondContact N-O 2.93Å; L65-M96 WeakPolarHBondContact O-CA 3.36Å; L65-V97 PolarHBondContact O-N 3.44Å
66	C	98.6	Very high	97.4	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.007	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	140.5	-174.8	-60.6	0	0	0	0	111.9	I41 T42 G43 A44 V97 F99	I41-C66 WeakPolarHBondContact O-CB 3.11Å; I41-C66 PolarHBondContact O-N 3.22Å; T42-C66 HydrophobicContact CG2-CB 4.3Å; G43-C66 PolarHBondContact N-O 3.17Å; A44-C66 PolarHBondContact N-O 2.72Å; A44-C66 VanDerWaalsContact N-O 3.08Å; C66-V97 WeakPolarHBondContact CA-O 3.47Å; C66-F99 HydrophobicContact CB-CD1 4.48Å; C66-F99 HydrophobicContact CB-CE1 3.67Å; C66-F99 HydrophobicContact CB-CZ 4.42Å
67	G	96.8	Very high	97.4	Very high	10 Å²	10	39.7 Å²	39.7	10%	0.103	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172	174.3	177.3	0	0	0	0	0	112.3	V97 I98 F99	G67-V97 PolarHBondContact N-O 3.33Å; G67-I98 VanDerWaalsContact O-CA 3.3Å; G67-I98 WeakPolarHBondContact O-CA 3.43Å; G67-F99 CarbonylContact C-O 3.52Å; G67-F99 PolarHBondContact O-N 3.11Å; G67-F99 VanDerWaalsContact O-N 3.15Å
68	R	95.2	Very high	97.4	Very high	146 Å²	146	44.5 Å²	44.5	55%	0.551	23%	0.234	S	C	*	.	S	Bend	trans	-85.9	-24.4	-175	-59.3	-179.2	-61.9	-169.7	-4	114.1	F99 D100	R68-F99 VanDerWaalsContact CG-O 3.27Å; R68-F99 WeakPolarHBondContact CG-O 3.32Å; R68-D100 VanDerWaalsContact CD-OD1 3.3Å; R68-D100 WeakPolarHBondContact CD-OD1 3.28Å; R68-D100 WeakPolarHBondContact CD-OD2 3.49Å; R68-D100 HydrophobicContact CG-CB 3.86Å; R68-D100 IonicContact CZ-OD2 3.36Å; R68-D100 IonicContact NE-OD2 3.77Å; R68-D100 IonicContact NH1-OD1 2.84Å; R68-D100 PolarHBondContact NH1-OD1 3.39Å; R68-D100 IonicContact NH1-OD2 3.14Å; R68-D100 PolarHBondContact NH1-OD2 2.91Å
69	D	95.9	Very high	97.4	Very high	66 Å²	66	44.1 Å²	44.1	35%	0.353	22%	0.222	S	C	.	.			trans	-104.1	95.3	-172.7	-173	-28.6	0	0	0	109	A71 R72 L73	D69-A71 VanDerWaalsContact C-N 3.29Å; D69-A71 PolarHBondContact O-N 3.38Å; D69-A71 PolarHBondContact OD1-N 2.89Å; D69-R72 HydrophobicContact CB-CB 4.19Å; D69-R72 HydrophobicContact CB-CG 4.38Å; D69-R72 VanDerWaalsContact CG-CG 3.46Å; D69-R72 PolarHBondContact O-N 3.03Å; D69-R72 PolarHBondContact OD1-N 3.18Å; D69-R72 WeakPolarHBondContact OD2-CD 3.43Å; D69-R72 WeakPolarHBondContact OD2-CG 3.16Å; D69-L73 WeakPolarHBondContact O-CG 3.43Å; D69-L73 PolarHBondContact O-N 2.74Å
70	G	97.3	Very high	97.5	Very high	22 Å²	22	43 Å²	43	23%	0.227	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-35.6	-178.7	0	0	0	0	0	113.1	L73 Q74	G70-L73 PolarHBondContact O-N 2.85Å; G70-Q74 WeakPolarHBondContact O-CB 3.42Å; G70-Q74 PolarHBondContact O-N 3.35Å
71	A	97.7	Very high	97.4	Very high	66 Å²	66	42.3 Å²	42.3	55%	0.545	21%	0.212	S	C	.	.	H	α-helix	trans	-65.8	-47.2	178.9	0	0	0	0	0	110.8	D69 L73 Q74 D75	D69-A71 VanDerWaalsContact C-N 3.29Å; D69-A71 PolarHBondContact O-N 3.38Å; D69-A71 PolarHBondContact OD1-N 2.89Å; A71-L73 VanDerWaalsContact C-N 3.32Å; A71-L73 PolarHBondContact O-N 2.93Å; A71-Q74 WeakPolarHBondContact O-CB 3.03Å; A71-Q74 PolarHBondContact O-N 3.32Å; A71-Q74 VanDerWaalsContact O-N 3.13Å; A71-D75 PolarHBondContact O-N 2.78Å
72	R	97.3	Very high	97.2	Very high	105 Å²	105	44.7 Å²	44.7	40%	0.396	23%	0.231	S	C	.	.	H	α-helix	trans	-68.5	-31.1	177.6	-66	-177.4	83.1	170.4	13.5	113	D69 V76	D69-R72 HydrophobicContact CB-CB 4.19Å; D69-R72 HydrophobicContact CB-CG 4.38Å; D69-R72 VanDerWaalsContact CG-CG 3.46Å; D69-R72 PolarHBondContact O-N 3.03Å; D69-R72 PolarHBondContact OD1-N 3.18Å; D69-R72 WeakPolarHBondContact OD2-CD 3.43Å; D69-R72 WeakPolarHBondContact OD2-CG 3.16Å; R72-V76 WeakPolarHBondContact O-CG2 3.37Å; R72-V76 PolarHBondContact O-N 3.42Å
73	L	97.9	Very high	96.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65	-43.3	170.6	-71.4	175.3	0	0	0	110.7	A44 L65 D69 G70 A71 D75 V76 V77 M96 I98	A44-L73 HydrophobicContact CB-CD2 3.9Å; L65-L73 HydrophobicContact CB-CD2 4.1Å; D69-L73 WeakPolarHBondContact O-CG 3.43Å; D69-L73 PolarHBondContact O-N 2.74Å; G70-L73 PolarHBondContact O-N 2.85Å; A71-L73 VanDerWaalsContact C-N 3.32Å; A71-L73 PolarHBondContact O-N 2.93Å; L73-D75 VanDerWaalsContact C-N 3.3Å; L73-D75 PolarHBondContact O-N 2.95Å; L73-V76 WeakPolarHBondContact O-CB 3.25Å; L73-V76 PolarHBondContact O-N 2.81Å; L73-V76 VanDerWaalsContact O-N 3.11Å; L73-V77 WeakPolarHBondContact O-CG2 3.32Å; L73-V77 PolarHBondContact O-N 2.97Å; L73-M96 HydrophobicContact CB-CG 4.27Å; L73-M96 HydrophobicContact CB-SD 3.54Å; L73-M96 VanDerWaalsContact CB-SD 3.54Å; L73-I98 HydrophobicContact CD1-CG1 4.32Å
74	Q	98.2	Very high	96.5	Very high	72 Å²	72	45.5 Å²	45.5	34%	0.336	24%	0.244	S	C	.	.	H	α-helix	trans	-61	-40.5	178	-174.9	58.3	71.5	0	0	111.5	G70 A71 V76 V77 Q78 M96	G70-Q74 WeakPolarHBondContact O-CB 3.42Å; G70-Q74 PolarHBondContact O-N 3.35Å; A71-Q74 WeakPolarHBondContact O-CB 3.03Å; A71-Q74 PolarHBondContact O-N 3.32Å; A71-Q74 VanDerWaalsContact O-N 3.13Å; Q74-V76 VanDerWaalsContact C-N 3.33Å; Q74-V76 PolarHBondContact O-N 3.42Å; Q74-V77 WeakPolarHBondContact O-CB 3.23Å; Q74-V77 PolarHBondContact O-N 3.39Å; Q74-Q78 WeakPolarHBondContact O-CG 3.37Å; Q74-Q78 PolarHBondContact O-N 3.11Å; Q74-M96 HydrophobicContact CB-CE 4.21Å; Q74-M96 HydrophobicContact CB-SD 4.16Å; Q74-M96 PolarHBondContact N-SD 2.84Å; Q74-M96 VanDerWaalsContact N-SD 3.37Å
75	D	97.9	Very high	95.9	Very high	107 Å²	107	48.8 Å²	48.8	57%	0.572	27%	0.271	S	S	*	.	H	α-helix	trans	-58.9	-43.9	173.8	-67.3	-21.9	0	0	0	111.7	A71 L73 Q78 E79	A71-D75 PolarHBondContact O-N 2.78Å; L73-D75 VanDerWaalsContact C-N 3.3Å; L73-D75 PolarHBondContact O-N 2.95Å; D75-Q78 PolarHBondContact O-N 2.92Å; D75-E79 WeakPolarHBondContact O-CB 3.48Å; D75-E79 PolarHBondContact O-N 2.91Å
76	V	98.1	Very high	95.3	Very high	3 Å²	3	55.7 Å²	55.7	2%	0.018	31%	0.308	C	S	.	.	H	α-helix	trans	-63.3	-43.4	176.3	174.8	0	0	0	0	110.5	R50 A53 L65 R72 L73 Q74 Q78 E79 L80	R50-V76 HydrophobicContact CB-CG2 4.46Å; R50-V76 HydrophobicContact CG-CG1 4.36Å; R50-V76 HydrophobicContact CG-CG2 3.82Å; A53-V76 HydrophobicContact CB-CG1 4.21Å; L65-V76 HydrophobicContact CD1-CG1 3.89Å; R72-V76 WeakPolarHBondContact O-CG2 3.37Å; R72-V76 PolarHBondContact O-N 3.42Å; L73-V76 WeakPolarHBondContact O-CB 3.25Å; L73-V76 PolarHBondContact O-N 2.81Å; L73-V76 VanDerWaalsContact O-N 3.11Å; Q74-V76 VanDerWaalsContact C-N 3.33Å; Q74-V76 PolarHBondContact O-N 3.42Å; V76-Q78 PolarHBondContact O-N 2.52Å; V76-E79 PolarHBondContact O-N 2.81Å; V76-L80 HydrophobicContact CG1-CD1 3.97Å; V76-L80 HydrophobicContact CG1-CG 4.28Å; V76-L80 WeakPolarHBondContact O-CG 3.46Å; V76-L80 PolarHBondContact O-N 3.4Å
77	V	98	Very high	94.6	Very high	7 Å²	7	58.2 Å²	58.2	4%	0.042	33%	0.326	C	S	.	.	H	α-helix	trans	-58	-48.6	176.5	172.2	0	0	0	0	111.3	L65 L73 Q74 E79 L80 I81 P94 M96	L65-V77 HydrophobicContact CD1-CG2 3.98Å; L73-V77 WeakPolarHBondContact O-CG2 3.32Å; L73-V77 PolarHBondContact O-N 2.97Å; Q74-V77 WeakPolarHBondContact O-CB 3.23Å; Q74-V77 PolarHBondContact O-N 3.39Å; V77-E79 VanDerWaalsContact C-N 3.35Å; V77-E79 PolarHBondContact O-N 3.33Å; V77-L80 PolarHBondContact O-N 3.48Å; V77-I81 HydrophobicContact CG1-CD1 3.71Å; V77-I81 VanDerWaalsContact O-CG1 3.31Å; V77-I81 WeakPolarHBondContact O-CG1 3.45Å; V77-I81 PolarHBondContact O-N 3.16Å; V77-I81 VanDerWaalsContact O-N 3.08Å; V77-P94 HydrophobicContact CG2-CB 4.15Å; V77-M96 HydrophobicContact CG2-CG 3.7Å; V77-M96 HydrophobicContact CG2-SD 3.76Å
78	Q	97.3	Very high	93.9	Very high	108 Å²	108	66.6 Å²	66.6	51%	0.505	36%	0.362	S	S	.	.	H	α-helix	trans	-63	-42.2	-179.5	-67	-55	-32.4	0	0	111.9	Q74 D75 V76 L80 I81 A82	Q74-Q78 WeakPolarHBondContact O-CG 3.37Å; Q74-Q78 PolarHBondContact O-N 3.11Å; D75-Q78 PolarHBondContact O-N 2.92Å; V76-Q78 PolarHBondContact O-N 2.52Å; Q78-L80 PolarHBondContact O-N 3.47Å; Q78-I81 PolarHBondContact O-N 2.8Å; Q78-A82 WeakPolarHBondContact O-CB 3.37Å; Q78-A82 PolarHBondContact O-N 3.47Å
79	E	96.6	Very high	93.3	Very high	47 Å²	47	63.6 Å²	63.6	22%	0.22	36%	0.355	C	S	.	.	H	α-helix	trans	-60.5	-43.4	176.3	172.9	174.6	-135.5	0	0	112.9	R50 R54 D75 V76 V77 T83	R50-E79 IonicContact CZ-OE1 3.3Å; R50-E79 IonicContact CZ-OE2 2.86Å; R50-E79 IonicContact NE-OE2 2.83Å; R50-E79 PolarHBondContact NE-OE2 3.21Å; R50-E79 IonicContact NH2-OE1 2.84Å; R50-E79 PolarHBondContact NH2-OE1 3.48Å; R50-E79 IonicContact NH2-OE2 3.53Å; R50-E79 PolarHBondContact NH2-OE2 3.26Å; R54-E79 IonicContact CZ-OE1 3.73Å; R54-E79 IonicContact CZ-OE2 2.72Å; R54-E79 IonicContact NH1-OE1 3.46Å; R54-E79 PolarHBondContact NH1-OE1 3.08Å; R54-E79 IonicContact NH1-OE2 3.47Å; R54-E79 IonicContact NH2-OE1 3.84Å; R54-E79 PolarHBondContact NH2-OE1 3.11Å; R54-E79 IonicContact NH2-OE2 3.72Å; R54-E79 PolarHBondContact NH2-OE2 2.97Å; R54-E79 VanDerWaalsContact NH2-OE2 3.14Å; D75-E79 WeakPolarHBondContact O-CB 3.48Å; D75-E79 PolarHBondContact O-N 2.91Å; V76-E79 PolarHBondContact O-N 2.81Å; V77-E79 VanDerWaalsContact C-N 3.35Å; V77-E79 PolarHBondContact O-N 3.33Å; E79-T83 WeakPolarHBondContact O-CB 2.96Å; E79-T83 PolarHBondContact O-N 3.17Å; E79-T83 PolarHBondContact O-OG1 3.1Å
80	L	96.8	Very high	92.8	Very high	4 Å²	4	68.4 Å²	68.4	2%	0.021	38%	0.375	C	S	.	.	H	α-helix	trans	-64.8	-43.4	179.2	-68	176.3	0	0	0	111.5	A53 R54 H57 L63 L65 V76 V77 Q78 T83 A84 P94	A53-L80 HydrophobicContact CB-CD1 4.08Å; R54-L80 VanDerWaalsContact CA-CD2 3.49Å; R54-L80 HydrophobicContact CB-CD2 4.16Å; R54-L80 HydrophobicContact CG-CD2 3.86Å; H57-L80 HydrophobicContact CB-CD1 4.26Å; H57-L80 HydrophobicContact CB-CD2 3.98Å; H57-L80 PolarHBondContact CE1-O 3.33Å; H57-L80 VanDerWaalsContact CE1-O 3.28Å; L63-L80 HydrophobicContact CD1-CD1 4.22Å; L65-L80 HydrophobicContact CD1-CD1 4.2Å; V76-L80 HydrophobicContact CG1-CD1 3.97Å; V76-L80 HydrophobicContact CG1-CG 4.28Å; V76-L80 WeakPolarHBondContact O-CG 3.46Å; V76-L80 PolarHBondContact O-N 3.4Å; V77-L80 PolarHBondContact O-N 3.48Å; Q78-L80 PolarHBondContact O-N 3.47Å; L80-T83 PolarHBondContact O-N 3.41Å; L80-A84 PolarHBondContact O-N 3.06Å; L80-A84 VanDerWaalsContact O-N 3.07Å; L80-P94 HydrophobicContact CD1-CG 3.94Å
81	I	94.9	Very high	92.5	Very high	59 Å²	59	68.9 Å²	68.9	30%	0.303	37%	0.374	S	S	.	.	H	α-helix	trans	-64.2	-46.7	177.9	-66.2	166.8	0	0	0	110.7	V77 Q78 T83 A84 A85 T93	V77-I81 HydrophobicContact CG1-CD1 3.71Å; V77-I81 VanDerWaalsContact O-CG1 3.31Å; V77-I81 WeakPolarHBondContact O-CG1 3.45Å; V77-I81 PolarHBondContact O-N 3.16Å; V77-I81 VanDerWaalsContact O-N 3.08Å; Q78-I81 PolarHBondContact O-N 2.8Å; I81-T83 PolarHBondContact O-N 2.61Å; I81-A84 PolarHBondContact O-N 3.21Å; I81-A85 PolarHBondContact O-N 2.86Å; I81-T93 HydrophobicContact CD1-CG2 4.12Å
82	A	93.4	Very high	92.4	Very high	49 Å²	49	69.2 Å²	69.2	41%	0.405	36%	0.361	S	S	.	.	H	α-helix	trans	-59.5	-46.5	178.4	0	0	0	0	0	111.6	Q78 A84 A85 D86	Q78-A82 WeakPolarHBondContact O-CB 3.37Å; Q78-A82 PolarHBondContact O-N 3.47Å; A82-A84 VanDerWaalsContact C-N 3.31Å; A82-A84 PolarHBondContact O-N 2.89Å; A82-A85 PolarHBondContact O-N 2.83Å; A82-D86 PolarHBondContact O-N 3.3Å
83	T	91.3	Very high	92.3	Very high	77 Å²	77	68.9 Å²	68.9	47%	0.472	37%	0.371	S	S	.	.	H	α-helix	trans	-61.7	-38.8	178.8	-54.9	0	0	0	0	112.2	E79 L80 I81 S87	E79-T83 WeakPolarHBondContact O-CB 2.96Å; E79-T83 PolarHBondContact O-N 3.17Å; E79-T83 PolarHBondContact O-OG1 3.1Å; L80-T83 PolarHBondContact O-N 3.41Å; I81-T83 PolarHBondContact O-N 2.61Å; T83-S87 PolarHBondContact O-N 2.95Å; T83-S87 PolarHBondContact O-OG 2.91Å
84	A	90.1	Very high	92.3	Very high	6 Å²	6	69.3 Å²	69.3	5%	0.05	37%	0.374	C	S	.	.	H	α-helix	trans	-71.2	-36.6	177.6	0	0	0	0	0	112.7	L80 I81 A82 S87 Q88 Q89 T91	L80-A84 PolarHBondContact O-N 3.06Å; L80-A84 VanDerWaalsContact O-N 3.07Å; I81-A84 PolarHBondContact O-N 3.21Å; A82-A84 VanDerWaalsContact C-N 3.31Å; A82-A84 PolarHBondContact O-N 2.89Å; A84-S87 WeakPolarHBondContact CA-OG 3.46Å; A84-S87 PolarHBondContact O-N 2.86Å; A84-S87 PolarHBondContact O-OG 2.8Å; A84-Q88 PolarHBondContact O-N 2.75Å; A84-Q88 VanDerWaalsContact O-N 3.14Å; A84-Q89 PolarHBondContact O-N 3.17Å; A84-T91 HydrophobicContact CB-CG2 3.96Å; A84-T91 VanDerWaalsContact CB-OG1 3.26Å; A84-T91 WeakPolarHBondContact CB-OG1 3.17Å
85	A	86.8	Confident	92.3	Very high	69 Å²	69	67.6 Å²	67.6	57%	0.57	37%	0.369	S	S	*	.	H	α-helix	trans	-63.2	-47	175	0	0	0	0	0	111.5	I81 A82 S87 Q88	I81-A85 PolarHBondContact O-N 2.86Å; A82-A85 PolarHBondContact O-N 2.83Å; A85-S87 PolarHBondContact O-N 2.98Å; A85-Q88 PolarHBondContact O-N 2.82Å; A85-Q88 VanDerWaalsContact O-N 3.11Å
86	D	85.8	Confident	92.3	Very high	145 Å²	145	65.1 Å²	65.1	78%	0.775	36%	0.355	S	S	*	.	H	α-helix	trans	-61.1	-32.8	178.6	-71.8	-14.4	0	0	0	112.6	A82	A82-D86 PolarHBondContact O-N 3.3Å
87	S	83.1	Confident	92.3	Very high	55 Å²	55	65 Å²	65	39%	0.385	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	3.7	-179.9	57.3	0	0	0	0	114.2	T83 A84 A85 Q89	T83-S87 PolarHBondContact O-N 2.95Å; T83-S87 PolarHBondContact O-OG 2.91Å; A84-S87 WeakPolarHBondContact CA-OG 3.46Å; A84-S87 PolarHBondContact O-N 2.86Å; A84-S87 PolarHBondContact O-OG 2.8Å; A85-S87 PolarHBondContact O-N 2.98Å; S87-Q89 PolarHBondContact O-N 3.31Å; S87-Q89 VanDerWaalsContact O-N 3.12Å; S87-Q89 WeakPolarHBondContact OG-CG 3.42Å
88	Q	83.3	Confident	92.3	Very high	185 Å²	185	69.2 Å²	69.2	86%	0.864	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	30.5	-174.7	-60.2	-174.5	-24.4	0	0	113.3	A84 A85	A84-Q88 PolarHBondContact O-N 2.75Å; A84-Q88 VanDerWaalsContact O-N 3.14Å; A85-Q88 PolarHBondContact O-N 2.82Å; A85-Q88 VanDerWaalsContact O-N 3.11Å
89	Q	81.8	Confident	92.3	Very high	84 Å²	84	65 Å²	65	39%	0.393	36%	0.355	S	S	.	.			trans	-88.7	118.8	-179.7	-69.9	-175.3	-0.4	0	0	110.2	A84 S87 T91	A84-Q89 PolarHBondContact O-N 3.17Å; S87-Q89 PolarHBondContact O-N 3.31Å; S87-Q89 VanDerWaalsContact O-N 3.12Å; S87-Q89 WeakPolarHBondContact OG-CG 3.42Å; Q89-T91 HydrophobicContact CB-CG2 4.14Å; Q89-T91 PolarHBondContact O-N 3.33Å; Q89-T91 VanDerWaalsContact O-N 3.07Å
90	Q	85.5	Confident	92.3	Very high	167 Å²	167	64.7 Å²	64.7	78%	0.78	36%	0.355	S	S	*	.			trans	-64.1	111.4	167.6	-166.6	74.6	4.3	0	0	109
91	T	91.8	Very high	92.1	Very high	31 Å²	31	64.9 Å²	64.9	19%	0.19	36%	0.357	C	S	.	.			trans	-132.9	176.2	178.7	59.9	0	0	0	0	110.2	H57 A84 Q89	H57-T91 PolarHBondContact CE1-OG1 2.81Å; H57-T91 PolarHBondContact NE2-OG1 2.88Å; A84-T91 HydrophobicContact CB-CG2 3.96Å; A84-T91 VanDerWaalsContact CB-OG1 3.26Å; A84-T91 WeakPolarHBondContact CB-OG1 3.17Å; Q89-T91 HydrophobicContact CB-CG2 4.14Å; Q89-T91 PolarHBondContact O-N 3.33Å; Q89-T91 VanDerWaalsContact O-N 3.07Å
92	Y	93.9	Very high	92.1	Very high	74 Å²	74	64.1 Å²	64.1	29%	0.29	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-100.3	144.3	177	-59.4	-82.2	0	0	0	110.6	D36 H57 R62 P94	D36-Y92 WeakPolarHBondContact OD1-CE2 3.16Å; D36-Y92 VanDerWaalsContact OD1-CZ 3.23Å; D36-Y92 PolarHBondContact OD1-OH 3.05Å; H57-Y92 PolarHBondContact NE2-O 3.49Å; R62-Y92 HydrophobicContact CG-CD1 4Å; R62-Y92 HydrophobicContact CG-CD2 3.52Å; R62-Y92 HydrophobicContact CG-CE1 4.28Å; R62-Y92 HydrophobicContact CG-CE2 3.82Å; R62-Y92 HydrophobicContact CG-CG 3.62Å; R62-Y92 PolarHBondContact NH2-OH 3.11Å; Y92-P94 VanDerWaalsContact O-CD 3.29Å; Y92-P94 WeakPolarHBondContact O-CD 3.33Å
93	T	95.4	Very high	92.2	Very high	98 Å²	98	65.5 Å²	65.5	60%	0.601	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-65.7	120.7	166.8	-58.8	0	0	0	0	109.1	I81 Y119	I81-T93 HydrophobicContact CD1-CG2 4.12Å; T93-Y119 PolarHBondContact O-OH 3.38Å; T93-Y119 VanDerWaalsContact O-OH 3.12Å
94	P	97.6	Very high	92.2	Very high	8 Å²	8	65.7 Å²	65.7	5%	0.052	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-63.5	141.4	176.2	-21.7	33	0	0	0	112.3	L63 L65 V77 L80 Y92	L63-P94 HydrophobicContact CB-CB 3.96Å; L63-P94 HydrophobicContact CB-CG 4.37Å; L63-P94 WeakPolarHBondContact O-CA 3.45Å; L65-P94 HydrophobicContact CD1-CB 3.98Å; L65-P94 HydrophobicContact CG-CB 4.09Å; V77-P94 HydrophobicContact CG2-CB 4.15Å; L80-P94 HydrophobicContact CD1-CG 3.94Å; Y92-P94 VanDerWaalsContact O-CD 3.29Å; Y92-P94 WeakPolarHBondContact O-CD 3.33Å
95	C	98.3	Very high	92.3	Very high	36 Å²	36	68.9 Å²	68.9	24%	0.243	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	154.5	165.9	-61.4	0	0	0	0	110.3	L63 V64 L65 C118	L63-C95 PolarHBondContact O-N 2.53Å; V64-C95 HydrophobicContact CG1-CB 4.48Å; V64-C95 HydrophobicContact CG2-CB 4.39Å; L65-C95 PolarHBondContact N-O 2.93Å; C95-C118 HydrophobicContact CB-CB 4.07Å
96	M	98.4	Very high	92.6	Very high	55 Å²	55	72.4 Å²	72.4	27%	0.271	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	140.2	172.9	-59.8	-171.6	-61.8	0	0	109.7	L65 L73 Q74 V77	L65-M96 WeakPolarHBondContact O-CA 3.36Å; L73-M96 HydrophobicContact CB-CG 4.27Å; L73-M96 HydrophobicContact CB-SD 3.54Å; L73-M96 VanDerWaalsContact CB-SD 3.54Å; Q74-M96 HydrophobicContact CB-CE 4.21Å; Q74-M96 HydrophobicContact CB-SD 4.16Å; Q74-M96 PolarHBondContact N-SD 2.84Å; Q74-M96 VanDerWaalsContact N-SD 3.37Å; V77-M96 HydrophobicContact CG2-CG 3.7Å; V77-M96 HydrophobicContact CG2-SD 3.76Å
97	V	98.4	Very high	93.1	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	118.7	171.1	176.7	0	0	0	0	108.2	V64 L65 C66 G67 F99 A111 E114 I115	V64-V97 HydrophobicContact CG1-CB 4.45Å; V64-V97 HydrophobicContact CG1-CG2 3.72Å; L65-V97 PolarHBondContact O-N 3.44Å; C66-V97 WeakPolarHBondContact CA-O 3.47Å; G67-V97 PolarHBondContact N-O 3.33Å; V97-F99 HydrophobicContact CG1-CD1 3.99Å; V97-F99 HydrophobicContact CG1-CE1 4.33Å; V97-A111 HydrophobicContact CG1-CB 4.12Å; V97-E114 HydrophobicContact CG1-CB 4.19Å; V97-E114 HydrophobicContact CG1-CG 4.22Å; V97-E114 HydrophobicContact CG2-CB 4.4Å; V97-E114 HydrophobicContact CG2-CG 3.94Å; V97-I115 HydrophobicContact CB-CG1 4.09Å; V97-I115 HydrophobicContact CG1-CG1 4.06Å; V97-I115 HydrophobicContact CG2-CG1 3.84Å
98	I	98.2	Very high	93.7	Very high	96 Å²	96	64.7 Å²	64.7	49%	0.492	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	114	-170	-56.1	167.9	0	0	0	109.6	G67 L73	G67-I98 VanDerWaalsContact O-CA 3.3Å; G67-I98 WeakPolarHBondContact O-CA 3.43Å; L73-I98 HydrophobicContact CD1-CG1 4.32Å
99	F	97.6	Very high	94.3	Very high	19 Å²	19	57.7 Å²	57.7	8%	0.083	32%	0.319	C	S	.	.			trans	-162	161.8	175.7	72.5	-73.4	0	0	0	111.7	C66 G67 R68 V97 L101 V107 V108 A111 I115 L159	C66-F99 HydrophobicContact CB-CD1 4.48Å; C66-F99 HydrophobicContact CB-CE1 3.67Å; C66-F99 HydrophobicContact CB-CZ 4.42Å; G67-F99 CarbonylContact C-O 3.52Å; G67-F99 PolarHBondContact O-N 3.11Å; G67-F99 VanDerWaalsContact O-N 3.15Å; R68-F99 VanDerWaalsContact CG-O 3.27Å; R68-F99 WeakPolarHBondContact CG-O 3.32Å; V97-F99 HydrophobicContact CG1-CD1 3.99Å; V97-F99 HydrophobicContact CG1-CE1 4.33Å; F99-L101 HydrophobicContact CE2-CD1 3.52Å; F99-L101 HydrophobicContact CZ-CD1 3.91Å; F99-V107 HydrophobicContact CB-CG1 4.49Å; F99-V108 HydrophobicContact CD2-CG2 4.49Å; F99-V108 HydrophobicContact CE2-CG1 4.46Å; F99-V108 HydrophobicContact CE2-CG2 4.44Å; F99-A111 HydrophobicContact CB-CB 3.97Å; F99-A111 HydrophobicContact CD1-CB 3.6Å; F99-A111 HydrophobicContact CD2-CB 3.77Å; F99-A111 HydrophobicContact CE1-CB 3.9Å; F99-A111 HydrophobicContact CE2-CB 4.07Å; F99-A111 HydrophobicContact CG-CB 3.52Å; F99-A111 HydrophobicContact CZ-CB 4.14Å; F99-I115 HydrophobicContact CE1-CD1 4.41Å; F99-L159 HydrophobicContact CZ-CD1 4.23Å; F99-L159 HydrophobicContact CZ-CD2 4.09Å
100	D	96.3	Very high	95	Very high	41 Å²	41	58.5 Å²	58.5	22%	0.219	32%	0.324	C	S	.	.			trans	-92	129.5	167.6	-163.7	-18.3	0	0	0	110.7	R68 S102 D103	R68-D100 VanDerWaalsContact CD-OD1 3.3Å; R68-D100 WeakPolarHBondContact CD-OD1 3.28Å; R68-D100 WeakPolarHBondContact CD-OD2 3.49Å; R68-D100 HydrophobicContact CG-CB 3.86Å; R68-D100 IonicContact CZ-OD2 3.36Å; R68-D100 IonicContact NE-OD2 3.77Å; R68-D100 IonicContact NH1-OD1 2.84Å; R68-D100 PolarHBondContact NH1-OD1 3.39Å; R68-D100 IonicContact NH1-OD2 3.14Å; R68-D100 PolarHBondContact NH1-OD2 2.91Å; D100-S102 VanDerWaalsContact C-N 3.27Å; D100-S102 PolarHBondContact O-N 2.89Å; D100-S102 PolarHBondContact OD1-N 2.83Å; D100-S102 PolarHBondContact OD1-OG 2.65Å; D100-S102 PolarHBondContact OD2-OG 2.82Å; D100-D103 HydrophobicContact CB-CB 4.21Å; D100-D103 VanDerWaalsContact O-CB 3.31Å; D100-D103 WeakPolarHBondContact O-CB 3.49Å; D100-D103 PolarHBondContact O-N 3.41Å
101	L	93.5	Very high	95.6	Very high	9 Å²	9	50.8 Å²	50.8	5%	0.047	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-22.6	179.4	-158.8	65.1	0	0	0	111.6	F99 D103 A129 G155 P156 L159	F99-L101 HydrophobicContact CE2-CD1 3.52Å; F99-L101 HydrophobicContact CZ-CD1 3.91Å; L101-D103 VanDerWaalsContact C-N 3.31Å; L101-A129 HydrophobicContact CD2-CB 3.78Å; L101-G155 WeakPolarHBondContact O-CA 3.42Å; L101-P156 HydrophobicContact CD2-CG 3.83Å; L101-L159 HydrophobicContact CD1-CB 4.04Å; L101-L159 HydrophobicContact CD1-CD2 4.01Å
102	S	94.4	Very high	95.9	Very high	42 Å²	42	49.4 Å²	49.4	29%	0.294	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	4	173	64.6	0	0	0	0	113.7	D100	D100-S102 VanDerWaalsContact C-N 3.27Å; D100-S102 PolarHBondContact O-N 2.89Å; D100-S102 PolarHBondContact OD1-N 2.83Å; D100-S102 PolarHBondContact OD1-OG 2.65Å; D100-S102 PolarHBondContact OD2-OG 2.82Å
103	D	94.6	Very high	96.1	Very high	78 Å²	78	53.2 Å²	53.2	42%	0.417	30%	0.298	S	S	.	.	S	Bend	trans	-71.5	175.9	175.3	-146.4	-41.9	0	0	0	111	D100 L101 V107	D100-D103 HydrophobicContact CB-CB 4.21Å; D100-D103 VanDerWaalsContact O-CB 3.31Å; D100-D103 WeakPolarHBondContact O-CB 3.49Å; D100-D103 PolarHBondContact O-N 3.41Å; L101-D103 VanDerWaalsContact C-N 3.31Å; D103-V107 HydrophobicContact CB-CB 3.91Å; D103-V107 HydrophobicContact CB-CG1 3.82Å; D103-V107 HydrophobicContact CB-CG2 4.45Å
104	T	92	Very high	96.3	Very high	82 Å²	82	53 Å²	53	50%	0.503	29%	0.29	S	S	.	.			trans	-54.2	150.6	176.4	64.2	0	0	0	0	112.1	E106 V107 V108	T104-E106 PolarHBondContact O-N 3.13Å; T104-E106 VanDerWaalsContact O-N 3.08Å; T104-V107 PolarHBondContact O-N 2.83Å; T104-V107 WeakPolarHBondContact OG1-CG2 3.44Å; T104-V107 PolarHBondContact OG1-N 2.92Å; T104-V108 PolarHBondContact O-N 3.46Å; T104-V108 VanDerWaalsContact O-N 3.09Å
105	A	91.6	Very high	96.3	Very high	73 Å²	73	52.6 Å²	52.6	60%	0.603	29%	0.288	S	S	*	.	H	α-helix	trans	-56.7	-27.8	177.2	0	0	0	0	0	112.9	A109	A105-A109 VanDerWaalsContact O-CB 3.25Å; A105-A109 WeakPolarHBondContact O-CB 3.49Å; A105-A109 PolarHBondContact O-N 3.43Å
106	E	93.9	Very high	96.3	Very high	142 Å²	142	52.7 Å²	52.7	66%	0.664	29%	0.286	S	S	*	.	H	α-helix	trans	-68	-46.2	175.5	-174.6	171.2	-171.9	0	0	112	T104 V108 A109 M110	T104-E106 PolarHBondContact O-N 3.13Å; T104-E106 VanDerWaalsContact O-N 3.08Å; E106-V108 VanDerWaalsContact C-N 3.34Å; E106-V108 PolarHBondContact O-N 2.9Å; E106-A109 PolarHBondContact O-N 3.24Å; E106-M110 WeakPolarHBondContact O-CG 3.41Å; E106-M110 PolarHBondContact O-N 3.17Å
107	V	95	Very high	96.3	Very high	38 Å²	38	54.4 Å²	54.4	23%	0.23	30%	0.303	C	S	.	.	H	α-helix	trans	-60.8	-44.9	175.1	171	0	0	0	0	110.7	F99 D103 T104 A109 M110 A111	F99-V107 HydrophobicContact CB-CG1 4.49Å; D103-V107 HydrophobicContact CB-CB 3.91Å; D103-V107 HydrophobicContact CB-CG1 3.82Å; D103-V107 HydrophobicContact CB-CG2 4.45Å; T104-V107 PolarHBondContact O-N 2.83Å; T104-V107 WeakPolarHBondContact OG1-CG2 3.44Å; T104-V107 PolarHBondContact OG1-N 2.92Å; V107-A109 VanDerWaalsContact C-N 3.3Å; V107-A109 PolarHBondContact O-N 3.04Å; V107-M110 HydrophobicContact CB-CE 4.43Å; V107-M110 HydrophobicContact CG2-CE 4.01Å; V107-M110 PolarHBondContact O-N 3.04Å; V107-A111 PolarHBondContact O-N 3.1Å
108	V	95.8	Very high	96.2	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.006	32%	0.315	C	S	.	.	H	α-helix	trans	-63.5	-37.1	176.5	179.1	0	0	0	0	111.6	F99 T104 E106 A111 A112 A158 L159	F99-V108 HydrophobicContact CD2-CG2 4.49Å; F99-V108 HydrophobicContact CE2-CG1 4.46Å; F99-V108 HydrophobicContact CE2-CG2 4.44Å; T104-V108 PolarHBondContact O-N 3.46Å; T104-V108 VanDerWaalsContact O-N 3.09Å; E106-V108 VanDerWaalsContact C-N 3.34Å; E106-V108 PolarHBondContact O-N 2.9Å; V108-A111 PolarHBondContact O-N 3.12Å; V108-A112 WeakPolarHBondContact O-CB 3.38Å; V108-A112 PolarHBondContact O-N 3.35Å; V108-A158 HydrophobicContact CB-CB 4.27Å; V108-A158 HydrophobicContact CG1-CB 3.87Å; V108-L159 HydrophobicContact CG1-CB 3.81Å; V108-L159 HydrophobicContact CG1-CD1 4.27Å
109	A	96.1	Very high	96.2	Very high	38 Å²	38	54.4 Å²	54.4	31%	0.314	30%	0.303	S	S	.	.	H	α-helix	trans	-68.3	-36.5	175.7	0	0	0	0	0	112.7	A105 E106 V107 A112 K113	A105-A109 VanDerWaalsContact O-CB 3.25Å; A105-A109 WeakPolarHBondContact O-CB 3.49Å; A105-A109 PolarHBondContact O-N 3.43Å; E106-A109 PolarHBondContact O-N 3.24Å; V107-A109 VanDerWaalsContact C-N 3.3Å; V107-A109 PolarHBondContact O-N 3.04Å; A109-A112 PolarHBondContact O-N 3.38Å; A109-K113 WeakPolarHBondContact O-CG 3.4Å; A109-K113 PolarHBondContact O-N 3.25Å; A109-K113 VanDerWaalsContact O-N 3.13Å
110	M	97.6	Very high	96.1	Very high	101 Å²	101	56.3 Å²	56.3	50%	0.498	33%	0.327	S	S	.	.	H	α-helix	trans	-64.1	-46	172.2	-70.6	-171.2	-67.9	0	0	111.1	E106 V107 A112 K113 E114	E106-M110 WeakPolarHBondContact O-CG 3.41Å; E106-M110 PolarHBondContact O-N 3.17Å; V107-M110 HydrophobicContact CB-CE 4.43Å; V107-M110 HydrophobicContact CG2-CE 4.01Å; V107-M110 PolarHBondContact O-N 3.04Å; M110-A112 VanDerWaalsContact C-N 3.29Å; M110-A112 PolarHBondContact O-N 3.4Å; M110-K113 WeakPolarHBondContact O-CB 3.42Å; M110-K113 PolarHBondContact O-N 3.38Å; M110-K113 VanDerWaalsContact O-N 3.1Å; M110-E114 PolarHBondContact O-N 3.06Å
111	A	98	Very high	96.1	Very high	4 Å²	4	56.7 Å²	56.7	3%	0.033	33%	0.328	C	S	.	.	H	α-helix	trans	-59.4	-39.6	174.8	0	0	0	0	0	111.9	V97 F99 V107 V108 K113 E114 I115	V97-A111 HydrophobicContact CG1-CB 4.12Å; F99-A111 HydrophobicContact CB-CB 3.97Å; F99-A111 HydrophobicContact CD1-CB 3.6Å; F99-A111 HydrophobicContact CD2-CB 3.77Å; F99-A111 HydrophobicContact CE1-CB 3.9Å; F99-A111 HydrophobicContact CE2-CB 4.07Å; F99-A111 HydrophobicContact CG-CB 3.52Å; F99-A111 HydrophobicContact CZ-CB 4.14Å; V107-A111 PolarHBondContact O-N 3.1Å; V108-A111 PolarHBondContact O-N 3.12Å; A111-K113 VanDerWaalsContact C-N 3.33Å; A111-K113 PolarHBondContact O-N 2.86Å; A111-E114 WeakPolarHBondContact O-CB 3.2Å; A111-E114 PolarHBondContact O-N 3.07Å; A111-I115 WeakPolarHBondContact O-CB 3.37Å; A111-I115 WeakPolarHBondContact O-CD1 3.45Å; A111-I115 WeakPolarHBondContact O-CG1 3.42Å; A111-I115 PolarHBondContact O-N 2.8Å
112	A	98.3	Very high	96.4	Very high	3 Å²	3	56.3 Å²	56.3	3%	0.025	33%	0.326	C	S	.	.	H	α-helix	trans	-62.5	-37.5	175.3	0	0	0	0	0	112.9	V108 A109 M110 L116 L159 A162 L163	V108-A112 WeakPolarHBondContact O-CB 3.38Å; V108-A112 PolarHBondContact O-N 3.35Å; A109-A112 PolarHBondContact O-N 3.38Å; M110-A112 VanDerWaalsContact C-N 3.29Å; M110-A112 PolarHBondContact O-N 3.4Å; A112-L116 VanDerWaalsContact O-CG 3.31Å; A112-L116 WeakPolarHBondContact O-CG 3.49Å; A112-L116 PolarHBondContact O-N 3.33Å; A112-L159 HydrophobicContact CB-CD1 4.22Å; A112-A162 HydrophobicContact CB-CB 3.4Å; A112-L163 HydrophobicContact CB-CD2 3.92Å; A112-L163 HydrophobicContact CB-CG 4.19Å
113	K	98.1	Very high	96.6	Very high	154 Å²	154	55.6 Å²	55.6	67%	0.67	32%	0.319	S	S	*	.	H	α-helix	trans	-65.2	-43.3	173.3	-68.9	173.4	-176.5	175.1	0	111.3	A109 M110 A111 L116 S117	A109-K113 WeakPolarHBondContact O-CG 3.4Å; A109-K113 PolarHBondContact O-N 3.25Å; A109-K113 VanDerWaalsContact O-N 3.13Å; M110-K113 WeakPolarHBondContact O-CB 3.42Å; M110-K113 PolarHBondContact O-N 3.38Å; M110-K113 VanDerWaalsContact O-N 3.1Å; A111-K113 VanDerWaalsContact C-N 3.33Å; A111-K113 PolarHBondContact O-N 2.86Å; K113-L116 PolarHBondContact O-N 3.42Å; K113-S117 PolarHBondContact O-N 3.42Å
114	E	98.4	Very high	96.8	Very high	92 Å²	92	52.2 Å²	52.2	43%	0.43	30%	0.301	S	S	.	.	H	α-helix	trans	-61.4	-47.1	176.4	-168.5	-177.5	159.6	0	0	111.2	V97 M110 A111 L116 S117 C118	V97-E114 HydrophobicContact CG1-CB 4.19Å; V97-E114 HydrophobicContact CG1-CG 4.22Å; V97-E114 HydrophobicContact CG2-CB 4.4Å; V97-E114 HydrophobicContact CG2-CG 3.94Å; M110-E114 PolarHBondContact O-N 3.06Å; A111-E114 WeakPolarHBondContact O-CB 3.2Å; A111-E114 PolarHBondContact O-N 3.07Å; E114-L116 VanDerWaalsContact C-N 3.31Å; E114-L116 PolarHBondContact O-N 3.09Å; E114-S117 WeakPolarHBondContact O-CB 3.37Å; E114-S117 PolarHBondContact O-N 3.13Å; E114-S117 PolarHBondContact O-OG 3.28Å; E114-C118 PolarHBondContact O-N 3.39Å; E114-C118 PolarHBondContact O-SG 3.17Å; E114-C118 VanDerWaalsContact O-SG 3.38Å
115	I	98.4	Very high	97.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-54.8	-47.3	175	-72	164	0	0	0	111.1	V40 V64 V97 F99 A111 S117 C118 V122 L159 L163	V40-I115 HydrophobicContact CG1-CD1 4.09Å; V40-I115 HydrophobicContact CG1-CG2 4.25Å; V40-I115 HydrophobicContact CG2-CG2 3.42Å; V40-I115 VanDerWaalsContact CG2-CG2 3.42Å; V64-I115 HydrophobicContact CG1-CB 4.5Å; V64-I115 HydrophobicContact CG1-CG1 4.04Å; V64-I115 HydrophobicContact CG1-CG2 4.37Å; V97-I115 HydrophobicContact CB-CG1 4.09Å; V97-I115 HydrophobicContact CG1-CG1 4.06Å; V97-I115 HydrophobicContact CG2-CG1 3.84Å; F99-I115 HydrophobicContact CE1-CD1 4.41Å; A111-I115 WeakPolarHBondContact O-CB 3.37Å; A111-I115 WeakPolarHBondContact O-CD1 3.45Å; A111-I115 WeakPolarHBondContact O-CG1 3.42Å; A111-I115 PolarHBondContact O-N 2.8Å; I115-S117 VanDerWaalsContact C-N 3.26Å; I115-S117 PolarHBondContact O-N 2.97Å; I115-C118 WeakPolarHBondContact O-CB 3.36Å; I115-C118 PolarHBondContact O-N 2.95Å; I115-V122 HydrophobicContact CG2-CG2 3.68Å; I115-L159 HydrophobicContact CD1-CD1 3.88Å; I115-L163 HydrophobicContact CB-CD2 4.49Å; I115-L163 HydrophobicContact CG2-CD1 4.48Å; I115-L163 HydrophobicContact CG2-CD2 4.12Å
116	L	98	Very high	97.4	Very high	38 Å²	38	44.9 Å²	44.9	20%	0.199	25%	0.248	C	C	.	.	H	α-helix	trans	-65.7	-30.2	178.5	-73.9	167.7	0	0	0	112.2	A112 K113 E114 C118 G120 V122 L163	A112-L116 VanDerWaalsContact O-CG 3.31Å; A112-L116 WeakPolarHBondContact O-CG 3.49Å; A112-L116 PolarHBondContact O-N 3.33Å; K113-L116 PolarHBondContact O-N 3.42Å; E114-L116 VanDerWaalsContact C-N 3.31Å; E114-L116 PolarHBondContact O-N 3.09Å; L116-C118 VanDerWaalsContact C-N 3.29Å; L116-C118 PolarHBondContact O-N 3.1Å; L116-G120 CarbonylContact O-C 3.57Å; L116-G120 WeakPolarHBondContact O-CA 3.49Å; L116-G120 PolarHBondContact O-N 3.32Å; L116-V122 HydrophobicContact CD2-CG2 4.18Å; L116-L163 HydrophobicContact CD1-CD2 4.1Å; L116-L163 HydrophobicContact CD2-CD2 4.15Å; L116-L163 HydrophobicContact CG-CD2 3.77Å
117	S	97.9	Very high	97.7	Very high	91 Å²	91	38.2 Å²	38.2	64%	0.636	22%	0.217	S	C	*	.	H	α-helix	trans	-70.2	-23.6	178.5	79.7	0	0	0	0	113.6	K113 E114 I115	K113-S117 PolarHBondContact O-N 3.42Å; E114-S117 WeakPolarHBondContact O-CB 3.37Å; E114-S117 PolarHBondContact O-N 3.13Å; E114-S117 PolarHBondContact O-OG 3.28Å; I115-S117 VanDerWaalsContact C-N 3.26Å; I115-S117 PolarHBondContact O-N 2.97Å
118	C	97.5	Very high	97.8	Very high	37 Å²	37	37.6 Å²	37.6	25%	0.25	21%	0.213	C	C	.	.	H	α-helix	trans	-62.2	-46.3	-179	-60.9	0	0	0	0	112.8	V64 C95 E114 I115 L116	V64-C118 HydrophobicContact CG2-CB 3.96Å; C95-C118 HydrophobicContact CB-CB 4.07Å; E114-C118 PolarHBondContact O-N 3.39Å; E114-C118 PolarHBondContact O-SG 3.17Å; E114-C118 VanDerWaalsContact O-SG 3.38Å; I115-C118 WeakPolarHBondContact O-CB 3.36Å; I115-C118 PolarHBondContact O-N 2.95Å; L116-C118 VanDerWaalsContact C-N 3.29Å; L116-C118 PolarHBondContact O-N 3.1Å
119	Y	96.9	Very high	97.8	Very high	60 Å²	60	38.4 Å²	38.4	24%	0.235	22%	0.22	C	C	.	.	H	α-helix	trans	-138	9.8	-175.3	-61.5	-71.3	0	0	0	113.7	V38 R62 V64 T93 H121	V38-Y119 HydrophobicContact CG1-CD2 3.71Å; V38-Y119 HydrophobicContact CG1-CG 4.2Å; V38-Y119 HydrophobicContact CG2-CD2 4.31Å; V38-Y119 HydrophobicContact CG2-CG 4.04Å; R62-Y119 HydrophobicContact CB-CD1 4.33Å; R62-Y119 HydrophobicContact CB-CD2 4.19Å; R62-Y119 HydrophobicContact CB-CE1 4.04Å; R62-Y119 HydrophobicContact CB-CE2 3.86Å; R62-Y119 HydrophobicContact CB-CG 4.4Å; R62-Y119 HydrophobicContact CG-CD1 4.48Å; R62-Y119 HydrophobicContact CG-CE1 4.14Å; V64-Y119 HydrophobicContact CG2-CD2 3.85Å; V64-Y119 HydrophobicContact CG2-CE2 3.91Å; T93-Y119 PolarHBondContact O-OH 3.38Å; T93-Y119 VanDerWaalsContact O-OH 3.12Å; Y119-H121 PolarHBondContact O-N 2.98Å; Y119-H121 VanDerWaalsContact O-N 3.16Å; Y119-H121 PolarHBondContact O-ND1 3.42Å
120	G	95.9	Very high	97.7	Very high	58 Å²	58	38.1 Å²	38.1	60%	0.598	22%	0.22	S	C	*	.	S	Bend	trans	79.1	-16.7	178.7	0	0	0	0	0	115.5	L116	L116-G120 CarbonylContact O-C 3.57Å; L116-G120 WeakPolarHBondContact O-CA 3.49Å; L116-G120 PolarHBondContact O-N 3.32Å
121	H	97	Very high	97.7	Very high	49 Å²	49	34.7 Å²	34.7	23%	0.227	20%	0.204	C	C	.	.			trans	-157.8	171.4	-177.2	64.3	-71.2	0	0	0	111.6	V38 Y119 D123 R170	V38-H121 VanDerWaalsContact CG1-O 3.23Å; V38-H121 WeakPolarHBondContact CG1-O 3.46Å; Y119-H121 PolarHBondContact O-N 2.98Å; Y119-H121 VanDerWaalsContact O-N 3.16Å; Y119-H121 PolarHBondContact O-ND1 3.42Å; H121-D123 IonicContact CD2-OD1 2.64Å; H121-D123 PolarHBondContact CD2-OD1 3.01Å; H121-D123 VanDerWaalsContact CD2-OD1 3.32Å; H121-D123 IonicContact CD2-OD2 3.32Å; H121-D123 IonicContact NE2-OD1 3.01Å; H121-D123 IonicContact NE2-OD2 3.75Å; H121-D123 PolarHBondContact NE2-OD2 3.45Å; H121-R170 PolarHBondContact CD2-NH1 2.92Å
122	V	98.4	Very high	97.6	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.012	20%	0.202	C	C	.	.			trans	-131.9	116.1	174.9	175.8	0	0	0	0	108.9	V40 I115 L116 L125 L163 M167 R170	V40-V122 HydrophobicContact CB-CG1 4.25Å; V40-V122 HydrophobicContact CG2-CB 4.21Å; V40-V122 HydrophobicContact CG2-CG1 3.55Å; V40-V122 HydrophobicContact CG2-CG2 3.57Å; I115-V122 HydrophobicContact CG2-CG2 3.68Å; L116-V122 HydrophobicContact CD2-CG2 4.18Å; V122-L125 HydrophobicContact CG1-CB 4.41Å; V122-L163 HydrophobicContact CG2-CD1 4.47Å; V122-L163 HydrophobicContact CG2-CD2 4.17Å; V122-M167 HydrophobicContact CB-CE 4.14Å; V122-M167 HydrophobicContact CG1-CE 3.71Å; V122-M167 WeakPolarHBondContact O-CE 3.25Å; V122-R170 PolarHBondContact O-NH2 3.36Å
123	D	98.5	Very high	97.5	Very high	27 Å²	27	34.4 Å²	34.4	14%	0.144	20%	0.201	C	C	.	.	S	Bend	trans	-84.4	-39.9	176.4	-62.5	-48	0	0	0	111.6	T37 V38 H121 R170 G173 H174	T37-D123 WeakPolarHBondContact CA-OD2 3.46Å; V38-D123 PolarHBondContact N-OD2 2.86Å; V38-D123 PolarHBondContact O-N 3.27Å; H121-D123 IonicContact CD2-OD1 2.64Å; H121-D123 PolarHBondContact CD2-OD1 3.01Å; H121-D123 VanDerWaalsContact CD2-OD1 3.32Å; H121-D123 IonicContact CD2-OD2 3.32Å; H121-D123 IonicContact NE2-OD1 3.01Å; H121-D123 IonicContact NE2-OD2 3.75Å; H121-D123 PolarHBondContact NE2-OD2 3.45Å; D123-R170 IonicContact OD1-CZ 3.85Å; D123-R170 IonicContact OD1-NH1 2.87Å; D123-R170 PolarHBondContact OD1-NH1 3.01Å; D123-R170 IonicContact OD1-NH2 3.96Å; D123-G173 CarbonylContact O-C 3.59Å; D123-G173 WeakPolarHBondContact O-CA 3.45Å; D123-H174 PolarHBondContact O-N 3.21Å
124	V	98.8	Very high	97.4	Very high	6 Å²	6	28 Å²	28	4%	0.036	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	124	-178.9	-171.8	0	0	0	0	110.2	V38 V39 V40 I126 H174 V176 V266	V38-V124 PolarHBondContact O-N 2.64Å; V39-V124 CarbonylContact C-O 3.53Å; V39-V124 WeakPolarHBondContact CA-O 3.25Å; V39-V124 HydrophobicContact CB-CB 4.41Å; V39-V124 HydrophobicContact CG1-CB 4.17Å; V39-V124 HydrophobicContact CG1-CG1 4.37Å; V39-V124 HydrophobicContact CG2-CB 4.03Å; V39-V124 HydrophobicContact CG2-CG2 4.21Å; V40-V124 PolarHBondContact N-O 3.02Å; V124-I126 HydrophobicContact CG1-CG1 3.99Å; V124-H174 CarbonylContact C-O 3.53Å; V124-H174 VanDerWaalsContact CA-O 3.25Å; V124-H174 WeakPolarHBondContact CA-O 3.24Å; V124-H174 HydrophobicContact CG1-CB 4.43Å; V124-H174 HydrophobicContact CG2-CB 4.25Å; V124-V176 HydrophobicContact CG1-CG2 4.08Å; V124-V266 HydrophobicContact CG1-CG1 4.18Å; V124-V266 HydrophobicContact CG1-CG2 4.04Å; V124-V266 HydrophobicContact CG2-CG1 3.84Å
125	L	98.9	Very high	97.1	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	118.1	169.8	172.6	62.6	0	0	0	109.4	V40 V122 L159 L163 M167 H174 V175 V176	V40-L125 HydrophobicContact CB-CD1 3.96Å; V40-L125 HydrophobicContact CG1-CD1 3.78Å; V122-L125 HydrophobicContact CG1-CB 4.41Å; L125-L159 HydrophobicContact CD1-CD2 3.93Å; L125-L159 HydrophobicContact CD1-CG 4.42Å; L125-L163 HydrophobicContact CD1-CD1 4.03Å; L125-L163 HydrophobicContact CD2-CD1 4.1Å; L125-M167 HydrophobicContact CB-CE 4.15Å; L125-H174 PolarHBondContact N-O 3.37Å; L125-V175 HydrophobicContact CD2-CG1 4.37Å; L125-V176 PolarHBondContact O-N 2.96Å
126	I	98.9	Very high	96.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	97.6	174.5	-50.3	-175.1	0	0	0	109.4	V39 V40 I41 T42 F56 V124 N128 V176 I178 V262	V39-I126 HydrophobicContact CG1-CD1 3.86Å; V39-I126 HydrophobicContact CG1-CG1 4.17Å; V40-I126 PolarHBondContact O-N 2.99Å; I41-I126 HydrophobicContact CD1-CD1 4.49Å; I41-I126 HydrophobicContact CG1-CB 4.41Å; I41-I126 HydrophobicContact CG1-CD1 4.18Å; T42-I126 PolarHBondContact N-O 2.99Å; T42-I126 PolarHBondContact OG1-O 3Å; F56-I126 HydrophobicContact CD2-CD1 4.22Å; F56-I126 HydrophobicContact CE1-CD1 4.33Å; F56-I126 HydrophobicContact CE2-CD1 3.64Å; F56-I126 HydrophobicContact CZ-CD1 3.69Å; V124-I126 HydrophobicContact CG1-CG1 3.99Å; I126-N128 HydrophobicContact CG2-CB 4.12Å; I126-N128 PolarHBondContact O-N 3.39Å; I126-N128 VanDerWaalsContact O-N 3.09Å; I126-V176 CarbonylContact C-O 3.6Å; I126-V176 WeakPolarHBondContact CA-O 3.33Å; I126-V176 HydrophobicContact CG1-CB 4.3Å; I126-I178 HydrophobicContact CG2-CG1 4.5Å; I126-V262 HydrophobicContact CD1-CG1 4.19Å
127	N	98.7	Very high	96.7	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	87.1	170.2	-74.1	-50.8	0	0	0	109.8	T42 P156 T160 V176 V177 I178	T42-N127 WeakPolarHBondContact OG1-CA 3.49Å; N127-P156 HydrophobicContact CB-CB 4.11Å; N127-T160 PolarHBondContact ND2-OG1 2.8Å; N127-V176 PolarHBondContact N-O 3.21Å; N127-V177 HydrophobicContact CB-CB 4.25Å; N127-V177 HydrophobicContact CB-CG2 4.12Å; N127-I178 PolarHBondContact O-N 3.44Å
128	N	98.3	Very high	96.6	Very high	24 Å²	24	32.2 Å²	32.2	13%	0.128	19%	0.19	C	C	.	.			trans	-110.5	-26.8	-178.5	160.4	86.4	0	0	0	113.4	T42 G43 G49 I126 G130 I178	T42-N128 VanDerWaalsContact O-CB 3.32Å; T42-N128 WeakPolarHBondContact O-CB 3.23Å; T42-N128 PolarHBondContact O-ND2 3.03Å; T42-N128 PolarHBondContact OG1-N 3.32Å; G43-N128 PolarHBondContact O-ND2 3.34Å; G49-N128 VanDerWaalsContact CA-ND2 3.31Å; G49-N128 WeakPolarHBondContact CA-ND2 3.43Å; G49-N128 PolarHBondContact N-ND2 3.18Å; I126-N128 HydrophobicContact CG2-CB 4.12Å; I126-N128 PolarHBondContact O-N 3.39Å; I126-N128 VanDerWaalsContact O-N 3.09Å; N128-G130 PolarHBondContact O-N 3.36Å; N128-I178 HydrophobicContact CB-CB 4.44Å; N128-I178 HydrophobicContact CB-CG1 3.74Å
129	A	95.5	Very high	96.5	Very high	19 Å²	19	36.2 Å²	36.2	16%	0.157	21%	0.205	C	C	.	.			trans	-55.9	141.6	179.2	0	0	0	0	0	111.6	T42 L101	T42-A129 PolarHBondContact O-N 2.89Å; T42-A129 PolarHBondContact OG1-N 3.22Å; T42-A129 VanDerWaalsContact OG1-N 3.15Å; L101-A129 HydrophobicContact CD2-CB 3.78Å
130	G	94.9	Very high	96.5	Very high	31 Å²	31	34 Å²	34	32%	0.32	20%	0.198	S	C	.	.			trans	176.1	157.5	178.1	0	0	0	0	0	112.9	N128 N152	N128-G130 PolarHBondContact O-N 3.36Å; G130-N152 WeakPolarHBondContact CA-OD1 3.1Å
131	I	96	Very high	96.6	Very high	30 Å²	30	35.9 Å²	35.9	15%	0.154	19%	0.19	C	C	.	.			trans	-113.7	163.5	171.4	61.1	172.8	0	0	0	110.2	V148 T151 N152 Y193 V235	I131-V148 HydrophobicContact CD1-CB 4.46Å; I131-V148 HydrophobicContact CD1-CG2 3.85Å; I131-V148 HydrophobicContact CG1-CG2 4.2Å; I131-T151 HydrophobicContact CG1-CG2 4.29Å; I131-T151 HydrophobicContact CG2-CG2 4.28Å; I131-N152 PolarHBondContact N-OD1 2.99Å; I131-N152 PolarHBondContact O-ND2 3.36Å; I131-N152 PolarHBondContact O-OD1 2.91Å; I131-Y193 WeakPolarHBondContact O-CD2 3.35Å; I131-Y193 VanDerWaalsContact O-CE2 3.26Å; I131-Y193 WeakPolarHBondContact O-CE2 3.31Å; I131-V235 HydrophobicContact CD1-CG1 4.44Å; I131-V235 HydrophobicContact CD1-CG2 4.35Å
132	S	95.9	Very high	96.6	Very high	1 Å²	1	39 Å²	39	1%	0.007	21%	0.207	C	C	.	.			trans	-123.6	166.7	177.1	-165.4	0	0	0	0	110.4	R134 A234 V235	S132-R134 PolarHBondContact OG-NH1 3.32Å; S132-A234 CarbonylContact O-C 3.59Å; S132-A234 WeakPolarHBondContact O-CA 3.45Å; S132-A234 WeakPolarHBondContact O-CB 3.4Å; S132-V235 WeakPolarHBondContact O-CG2 3.47Å; S132-V235 PolarHBondContact O-N 3.16Å
133	H	96.8	Very high	96.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-131.2	137.3	-172.5	170.1	-102.3	0	0	0	110.6	G135 T140 V148 A192 V235	H133-G135 PolarHBondContact CE1-N 3.47Å; H133-T140 PolarHBondContact CE1-OG1 2.94Å; H133-T140 WeakPolarHBondContact NE2-CG2 3.5Å; H133-T140 PolarHBondContact NE2-OG1 3.08Å; H133-V148 HydrophobicContact CB-CG2 4.39Å; H133-A192 HydrophobicContact CB-CB 4.02Å; H133-V235 CarbonylContact C-O 3.54Å; H133-V235 VanDerWaalsContact CA-O 3.31Å; H133-V235 WeakPolarHBondContact CA-O 3.02Å; H133-V235 HydrophobicContact CB-CG2 4.37Å; H133-V235 PolarHBondContact CD2-O 2.96Å
134	R	95.1	Very high	96.5	Very high	19 Å²	19	40.6 Å²	40.6	7%	0.072	22%	0.221	C	C	.	.			trans	-128.4	107.1	168.8	-78.8	84.9	178.7	143.3	2.1	108.9	S132 Y189 R190 V235 T236 Y242 D246	S132-R134 PolarHBondContact OG-NH1 3.32Å; R134-Y189 WeakPolarHBondContact CA-O 3.45Å; R134-R190 VanDerWaalsContact CZ-NH1 3.34Å; R134-V235 PolarHBondContact N-O 3.42Å; R134-T236 VanDerWaalsContact O-CA 3.31Å; R134-T236 WeakPolarHBondContact O-CA 3.41Å; R134-Y242 HydrophobicContact CB-CD1 4.44Å; R134-Y242 HydrophobicContact CB-CD2 3.96Å; R134-Y242 HydrophobicContact CB-CE2 4.12Å; R134-Y242 HydrophobicContact CB-CG 4.14Å; R134-Y242 HydrophobicContact CG-CD1 3.99Å; R134-Y242 HydrophobicContact CG-CD2 4.32Å; R134-Y242 HydrophobicContact CG-CE1 3.9Å; R134-Y242 HydrophobicContact CG-CE2 4.28Å; R134-Y242 HydrophobicContact CG-CG 4.19Å; R134-D246 IonicContact CZ-OD2 2.67Å; R134-D246 IonicContact NE-OD2 2.88Å; R134-D246 PolarHBondContact NE-OD2 2.79Å; R134-D246 VanDerWaalsContact NE-OD2 3.14Å; R134-D246 IonicContact NH2-OD2 2.75Å; R134-D246 PolarHBondContact NH2-OD2 3.22Å
135	G	93.8	Very high	96.5	Very high	2 Å²	2	42.6 Å²	42.6	2%	0.021	23%	0.23	C	C	.	.			trans	-173.4	149.7	-177.6	0	0	0	0	0	113.1	H133 Y189 C237	H133-G135 PolarHBondContact CE1-N 3.47Å; G135-Y189 PolarHBondContact N-O 2.86Å; G135-Y189 CarbonylContact O-C 3.47Å; G135-Y189 VanDerWaalsContact O-C 3.24Å; G135-Y189 WeakPolarHBondContact O-CA 3.41Å; G135-C237 WeakPolarHBondContact CA-SG 3.37Å
136	N	93.8	Very high	96.4	Very high	37 Å²	37	50.4 Å²	50.4	20%	0.198	26%	0.259	C	S	.	.			trans	-74.4	140.6	172.4	-174.4	-10.7	0	0	0	109.5	L138 E139 T140 Y189 C237	N136-L138 PolarHBondContact O-N 2.77Å; N136-L138 PolarHBondContact OD1-N 3.31Å; N136-E139 PolarHBondContact O-N 3.16Å; N136-E139 VanDerWaalsContact O-N 3.15Å; N136-T140 PolarHBondContact O-N 3.04Å; N136-T140 PolarHBondContact O-OG1 3.09Å; N136-Y189 HydrophobicContact CB-CD1 4.04Å; N136-Y189 HydrophobicContact CB-CE1 4.06Å; N136-C237 PolarHBondContact N-SG 3.03Å; N136-C237 VanDerWaalsContact N-SG 3.45Å
137	I	94.1	Very high	96.3	Very high	116 Å²	116	54.2 Å²	54.2	60%	0.595	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-32.6	178.5	-65.4	173	0	0	0	112.2	E139	I137-E139 VanDerWaalsContact C-N 3.27Å; I137-E139 PolarHBondContact O-N 3.05Å
138	L	94.9	Very high	96.3	Very high	155 Å²	155	54 Å²	54	81%	0.812	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-26.8	-179.8	-61.7	-179.7	0	0	0	113.5	N136	N136-L138 PolarHBondContact O-N 2.77Å; N136-L138 PolarHBondContact OD1-N 3.31Å
139	E	95	Very high	96.3	Very high	120 Å²	120	54.9 Å²	54.9	56%	0.561	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	-18.9	-171.8	-64.8	167.5	174.6	0	0	112.4	N136 I137 H141 C237	N136-E139 PolarHBondContact O-N 3.16Å; N136-E139 VanDerWaalsContact O-N 3.15Å; I137-E139 VanDerWaalsContact C-N 3.27Å; I137-E139 PolarHBondContact O-N 3.05Å; E139-H141 PolarHBondContact O-CD2 2.89Å; E139-H141 PolarHBondContact O-N 3.23Å; E139-C237 HydrophobicContact CB-CB 3.94Å
140	T	97.1	Very high	96.4	Very high	14 Å²	14	56.7 Å²	56.7	9%	0.086	29%	0.289	C	S	.	.			trans	-67.8	118.5	-175	-56.2	0	0	0	0	110.5	H133 N136 V144 Q145	H133-T140 PolarHBondContact CE1-OG1 2.94Å; H133-T140 WeakPolarHBondContact NE2-CG2 3.5Å; H133-T140 PolarHBondContact NE2-OG1 3.08Å; N136-T140 PolarHBondContact O-N 3.04Å; N136-T140 PolarHBondContact O-OG1 3.09Å; T140-V144 HydrophobicContact CG2-CB 4.18Å; T140-V144 HydrophobicContact CG2-CG1 4.14Å; T140-Q145 HydrophobicContact CG2-CG 4.18Å
141	H	97.8	Very high	96.4	Very high	97 Å²	97	55.8 Å²	55.8	45%	0.449	28%	0.278	S	S	.	.			trans	-64.5	147.2	178.4	-63.6	174.2	0	0	0	111.8	E139 S143 V144 Q145 C237	E139-H141 PolarHBondContact O-CD2 2.89Å; E139-H141 PolarHBondContact O-N 3.23Å; H141-S143 WeakPolarHBondContact CB-OG 3.46Å; H141-S143 PolarHBondContact O-N 3.34Å; H141-V144 HydrophobicContact CB-CG2 4.23Å; H141-V144 WeakPolarHBondContact O-CB 3.22Å; H141-V144 PolarHBondContact O-N 3.01Å; H141-V144 VanDerWaalsContact O-N 3.16Å; H141-Q145 PolarHBondContact O-N 2.79Å; H141-C237 PolarHBondContact N-O 3.5Å
142	I	97.8	Very high	96.6	Very high	114 Å²	114	54.4 Å²	54.4	59%	0.585	27%	0.271	S	S	*	.	H	α-helix	trans	-62.6	-30.7	174.8	-67.2	-61	0	0	0	111.7	Q145 R146	I142-Q145 WeakPolarHBondContact O-CB 3.38Å; I142-Q145 PolarHBondContact O-N 3.15Å; I142-R146 WeakPolarHBondContact O-CG 3.46Å; I142-R146 PolarHBondContact O-N 2.91Å
143	S	97.6	Very high	96.7	Very high	62 Å²	62	56.9 Å²	56.9	43%	0.434	28%	0.28	S	S	.	.	H	α-helix	trans	-58.5	-47.6	172.7	50.2	0	0	0	0	111.4	H141 Q145 R146 D147	H141-S143 WeakPolarHBondContact CB-OG 3.46Å; H141-S143 PolarHBondContact O-N 3.34Å; S143-Q145 VanDerWaalsContact C-N 3.3Å; S143-Q145 PolarHBondContact O-N 2.79Å; S143-R146 CarbonylContact O-C 3.58Å; S143-R146 WeakPolarHBondContact O-CA 3.46Å; S143-R146 WeakPolarHBondContact O-CB 3.41Å; S143-R146 PolarHBondContact O-N 2.87Å; S143-D147 PolarHBondContact O-N 3.33Å
144	V	97.6	Very high	96.7	Very high	1 Å²	1	62 Å²	62	1%	0.006	30%	0.303	C	S	.	.	H	α-helix	trans	-60.5	-39.8	177	177.1	0	0	0	0	111.7	T140 H141 R146 D147 V148 V235 C237 G239	T140-V144 HydrophobicContact CG2-CB 4.18Å; T140-V144 HydrophobicContact CG2-CG1 4.14Å; H141-V144 HydrophobicContact CB-CG2 4.23Å; H141-V144 WeakPolarHBondContact O-CB 3.22Å; H141-V144 PolarHBondContact O-N 3.01Å; H141-V144 VanDerWaalsContact O-N 3.16Å; V144-R146 VanDerWaalsContact C-N 3.31Å; V144-R146 PolarHBondContact O-N 3.12Å; V144-D147 PolarHBondContact O-N 3.32Å; V144-V148 HydrophobicContact CG1-CG2 4.42Å; V144-V148 WeakPolarHBondContact O-CB 3.42Å; V144-V148 VanDerWaalsContact O-CG2 3.22Å; V144-V148 WeakPolarHBondContact O-CG2 3.47Å; V144-V148 PolarHBondContact O-N 2.95Å; V144-V148 VanDerWaalsContact O-N 3.08Å; V144-V235 HydrophobicContact CG1-CG2 3.86Å; V144-C237 WeakPolarHBondContact CG2-O 3.48Å; V144-G239 VanDerWaalsContact CG2-N 3.29Å
145	Q	97.5	Very high	96.9	Very high	48 Å²	48	61.2 Å²	61.2	22%	0.224	30%	0.301	C	S	.	.	H	α-helix	trans	-60.1	-42.9	174.8	-62.1	-88.3	13.5	0	0	111.1	T140 H141 I142 S143 M149	T140-Q145 HydrophobicContact CG2-CG 4.18Å; H141-Q145 PolarHBondContact O-N 2.79Å; I142-Q145 WeakPolarHBondContact O-CB 3.38Å; I142-Q145 PolarHBondContact O-N 3.15Å; S143-Q145 VanDerWaalsContact C-N 3.3Å; S143-Q145 PolarHBondContact O-N 2.79Å; Q145-M149 VanDerWaalsContact O-CG 3.27Å; Q145-M149 WeakPolarHBondContact O-CG 3.43Å; Q145-M149 PolarHBondContact O-N 3.37Å; Q145-M149 VanDerWaalsContact O-N 3.14Å
146	R	97.7	Very high	97.1	Very high	165 Å²	165	61.3 Å²	61.3	62%	0.623	30%	0.301	S	S	*	.	H	α-helix	trans	-65.5	-50	176.5	-69.9	178.4	-175.2	-143.4	2.2	111.4	I142 S143 V144 V148 M149 D150	I142-R146 WeakPolarHBondContact O-CG 3.46Å; I142-R146 PolarHBondContact O-N 2.91Å; S143-R146 CarbonylContact O-C 3.58Å; S143-R146 WeakPolarHBondContact O-CA 3.46Å; S143-R146 WeakPolarHBondContact O-CB 3.41Å; S143-R146 PolarHBondContact O-N 2.87Å; V144-R146 VanDerWaalsContact C-N 3.31Å; V144-R146 PolarHBondContact O-N 3.12Å; R146-V148 VanDerWaalsContact C-N 3.25Å; R146-V148 PolarHBondContact O-N 3.27Å; R146-M149 CarbonylContact O-C 3.59Å; R146-M149 WeakPolarHBondContact O-CA 3.4Å; R146-M149 WeakPolarHBondContact O-CB 3.21Å; R146-M149 PolarHBondContact O-N 2.96Å; R146-D150 VanDerWaalsContact O-CG 3.28Å; R146-D150 PolarHBondContact O-N 3.2Å
147	D	96.7	Very high	97.2	Very high	80 Å²	80	60.2 Å²	60.2	43%	0.428	30%	0.295	S	S	.	.	H	α-helix	trans	-56.8	-40.5	-179	-60.3	-20.2	0	0	0	112.4	S143 V144 D150 T151	S143-D147 PolarHBondContact O-N 3.33Å; V144-D147 PolarHBondContact O-N 3.32Å; D147-D150 PolarHBondContact O-N 2.78Å; D147-T151 PolarHBondContact O-N 3.01Å; D147-T151 PolarHBondContact O-OG1 2.88Å
148	V	98	Very high	97.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-67.2	-39.5	175.8	175.6	0	0	0	0	111.2	I131 H133 V144 R146 N152 A192 V235	I131-V148 HydrophobicContact CD1-CB 4.46Å; I131-V148 HydrophobicContact CD1-CG2 3.85Å; I131-V148 HydrophobicContact CG1-CG2 4.2Å; H133-V148 HydrophobicContact CB-CG2 4.39Å; V144-V148 HydrophobicContact CG1-CG2 4.42Å; V144-V148 WeakPolarHBondContact O-CB 3.42Å; V144-V148 VanDerWaalsContact O-CG2 3.22Å; V144-V148 WeakPolarHBondContact O-CG2 3.47Å; V144-V148 PolarHBondContact O-N 2.95Å; V144-V148 VanDerWaalsContact O-N 3.08Å; R146-V148 VanDerWaalsContact C-N 3.25Å; R146-V148 PolarHBondContact O-N 3.27Å; V148-N152 WeakPolarHBondContact O-CB 3.42Å; V148-N152 PolarHBondContact O-N 3.31Å; V148-A192 HydrophobicContact CB-CB 4.04Å; V148-A192 HydrophobicContact CG1-CB 4.04Å; V148-A192 WeakPolarHBondContact CG1-O 3.36Å; V148-A192 HydrophobicContact CG2-CB 4.06Å; V148-V235 HydrophobicContact CG2-CG2 3.78Å
149	M	98.2	Very high	97.6	Very high	42 Å²	42	48.3 Å²	48.3	21%	0.207	24%	0.237	C	C	.	.	H	α-helix	trans	-67.6	-42.8	173.8	-73	-67.3	-63.7	0	0	112.1	Q145 R146 T151 Y153 F154 S196 A199	Q145-M149 VanDerWaalsContact O-CG 3.27Å; Q145-M149 WeakPolarHBondContact O-CG 3.43Å; Q145-M149 PolarHBondContact O-N 3.37Å; Q145-M149 VanDerWaalsContact O-N 3.14Å; R146-M149 CarbonylContact O-C 3.59Å; R146-M149 WeakPolarHBondContact O-CA 3.4Å; R146-M149 WeakPolarHBondContact O-CB 3.21Å; R146-M149 PolarHBondContact O-N 2.96Å; M149-T151 VanDerWaalsContact C-N 3.33Å; M149-T151 PolarHBondContact O-N 3.35Å; M149-Y153 HydrophobicContact CE-CD1 3.6Å; M149-Y153 HydrophobicContact CE-CE1 4.29Å; M149-Y153 HydrophobicContact CE-CG 3.85Å; M149-Y153 WeakPolarHBondContact O-CA 3.43Å; M149-Y153 VanDerWaalsContact O-CB 3.24Å; M149-Y153 WeakPolarHBondContact O-CB 3.42Å; M149-Y153 PolarHBondContact O-N 3.05Å; M149-F154 HydrophobicContact CB-CD2 4.31Å; M149-F154 HydrophobicContact CB-CE2 4.21Å; M149-F154 PolarHBondContact O-N 3.26Å; M149-S196 WeakPolarHBondContact SD-CA 3.41Å; M149-A199 HydrophobicContact CE-CB 4.05Å
150	D	97.6	Very high	97.8	Very high	56 Å²	56	42.7 Å²	42.7	30%	0.299	21%	0.21	S	C	.	.	I	π-helix	trans	-61.3	-45	-179.1	-67.6	-22.8	0	0	0	110.3	R146 D147 F154 G155	R146-D150 VanDerWaalsContact O-CG 3.28Å; R146-D150 PolarHBondContact O-N 3.2Å; D147-D150 PolarHBondContact O-N 2.78Å; D150-F154 VanDerWaalsContact OD1-CD2 3.25Å; D150-F154 WeakPolarHBondContact OD1-CD2 3.4Å; D150-G155 PolarHBondContact O-N 3.39Å
151	T	96.7	Very high	97.8	Very high	12 Å²	12	47.1 Å²	47.1	7%	0.074	23%	0.23	C	C	.	.	I	π-helix	trans	-73.6	-46.4	178.4	-52	0	0	0	0	113.3	I131 D147 M149 P156	I131-T151 HydrophobicContact CG1-CG2 4.29Å; I131-T151 HydrophobicContact CG2-CG2 4.28Å; D147-T151 PolarHBondContact O-N 3.01Å; D147-T151 PolarHBondContact O-OG1 2.88Å; M149-T151 VanDerWaalsContact C-N 3.33Å; M149-T151 PolarHBondContact O-N 3.35Å; T151-P156 VanDerWaalsContact O-CD 3.26Å; T151-P156 WeakPolarHBondContact O-CD 3.43Å
152	N	98.3	Very high	97.9	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.011	22%	0.222	C	C	.	.	I	π-helix	trans	-90.2	-21.6	-168.8	-68.5	-7.9	0	0	0	114	G130 I131 V148 S196 T200	G130-N152 WeakPolarHBondContact CA-OD1 3.1Å; I131-N152 PolarHBondContact N-OD1 2.99Å; I131-N152 PolarHBondContact O-ND2 3.36Å; I131-N152 PolarHBondContact O-OD1 2.91Å; V148-N152 WeakPolarHBondContact O-CB 3.42Å; V148-N152 PolarHBondContact O-N 3.31Å; N152-S196 PolarHBondContact ND2-OG 2.9Å; N152-S196 VanDerWaalsContact ND2-OG 3.08Å; N152-T200 PolarHBondContact O-OG1 3.23Å
153	Y	98.3	Very high	97.9	Very high	52 Å²	52	38.8 Å²	38.8	20%	0.204	20%	0.195	C	C	.	.	I	π-helix	trans	-120.5	-66.5	-172.9	175.9	-105	0	0	0	111.5	M149 G155 P156 I157 A199 Y203	M149-Y153 HydrophobicContact CE-CD1 3.6Å; M149-Y153 HydrophobicContact CE-CE1 4.29Å; M149-Y153 HydrophobicContact CE-CG 3.85Å; M149-Y153 WeakPolarHBondContact O-CA 3.43Å; M149-Y153 VanDerWaalsContact O-CB 3.24Å; M149-Y153 WeakPolarHBondContact O-CB 3.42Å; M149-Y153 PolarHBondContact O-N 3.05Å; Y153-G155 PolarHBondContact O-N 3.3Å; Y153-P156 WeakPolarHBondContact O-CD 3.34Å; Y153-I157 HydrophobicContact CD1-CD1 4Å; Y153-I157 HydrophobicContact CD2-CD1 3.57Å; Y153-I157 HydrophobicContact CE1-CD1 3.66Å; Y153-I157 HydrophobicContact CE2-CD1 3.21Å; Y153-I157 HydrophobicContact CG-CD1 3.96Å; Y153-I157 WeakPolarHBondContact O-CB 3.26Å; Y153-I157 WeakPolarHBondContact O-CD1 3.48Å; Y153-I157 WeakPolarHBondContact O-CG1 3.46Å; Y153-I157 PolarHBondContact O-N 3.29Å; Y153-A199 HydrophobicContact CD2-CB 3.53Å; Y153-A199 VanDerWaalsContact CE2-C 3.48Å; Y153-A199 HydrophobicContact CE2-CB 3.65Å; Y153-A199 WeakPolarHBondContact CE2-O 3.29Å; Y153-A199 HydrophobicContact CG-CB 4.06Å; Y153-Y203 HydrophobicContact CE2-CG 4.47Å
154	F	98.3	Very high	97.9	Very high	108 Å²	108	36.9 Å²	36.9	47%	0.474	18%	0.18	S	C	.	.	I	π-helix	trans	-64.8	-41.3	-173.8	-68.9	-68.2	0	0	0	112.5	M149 D150 I157 A158	M149-F154 HydrophobicContact CB-CD2 4.31Å; M149-F154 HydrophobicContact CB-CE2 4.21Å; M149-F154 PolarHBondContact O-N 3.26Å; D150-F154 VanDerWaalsContact OD1-CD2 3.25Å; D150-F154 WeakPolarHBondContact OD1-CD2 3.4Å; F154-I157 WeakPolarHBondContact O-CB 3.43Å; F154-I157 PolarHBondContact O-N 3.4Å; F154-A158 WeakPolarHBondContact O-CB 3.49Å; F154-A158 PolarHBondContact O-N 3.43Å
155	G	97.6	Very high	97.9	Very high	3 Å²	3	39.8 Å²	39.8	3%	0.031	20%	0.198	C	C	.	.	H	α-helix	trans	-58.5	-57.6	178.5	0	0	0	0	0	114.6	L101 D150 Y153 I157 A158 L159	L101-G155 WeakPolarHBondContact O-CA 3.42Å; D150-G155 PolarHBondContact O-N 3.39Å; Y153-G155 PolarHBondContact O-N 3.3Å; G155-I157 PolarHBondContact O-N 3.38Å; G155-A158 PolarHBondContact O-N 3.49Å; G155-L159 PolarHBondContact O-N 3.3Å
156	P	97.8	Very high	97.9	Very high	4 Å²	4	38.1 Å²	38.1	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-55.3	-34.9	173.7	-29.3	35.6	0	0	0	113.6	L101 N127 T151 Y153 T160 F204	L101-P156 HydrophobicContact CD2-CG 3.83Å; N127-P156 HydrophobicContact CB-CB 4.11Å; T151-P156 VanDerWaalsContact O-CD 3.26Å; T151-P156 WeakPolarHBondContact O-CD 3.43Å; Y153-P156 WeakPolarHBondContact O-CD 3.34Å; P156-T160 VanDerWaalsContact O-CB 3.23Å; P156-T160 WeakPolarHBondContact O-CB 3.29Å; P156-T160 PolarHBondContact O-N 2.98Å; P156-T160 PolarHBondContact O-OG1 3.24Å; P156-F204 HydrophobicContact CB-CE2 4.44Å; P156-F204 HydrophobicContact CB-CZ 4.37Å
157	I	97.8	Very high	97.9	Very high	13 Å²	13	30.3 Å²	30.3	7%	0.067	16%	0.163	C	C	.	.	H	α-helix	trans	-67.5	-51.3	176.8	-72.1	171.4	0	0	0	110.8	Y153 F154 G155 L159 T160 Q161 Y203	Y153-I157 HydrophobicContact CD1-CD1 4Å; Y153-I157 HydrophobicContact CD2-CD1 3.57Å; Y153-I157 HydrophobicContact CE1-CD1 3.66Å; Y153-I157 HydrophobicContact CE2-CD1 3.21Å; Y153-I157 HydrophobicContact CG-CD1 3.96Å; Y153-I157 WeakPolarHBondContact O-CB 3.26Å; Y153-I157 WeakPolarHBondContact O-CD1 3.48Å; Y153-I157 WeakPolarHBondContact O-CG1 3.46Å; Y153-I157 PolarHBondContact O-N 3.29Å; F154-I157 WeakPolarHBondContact O-CB 3.43Å; F154-I157 PolarHBondContact O-N 3.4Å; G155-I157 PolarHBondContact O-N 3.38Å; I157-L159 VanDerWaalsContact C-N 3.31Å; I157-L159 PolarHBondContact O-N 2.88Å; I157-T160 PolarHBondContact O-N 3Å; I157-Q161 HydrophobicContact CG2-CG 4.24Å; I157-Q161 WeakPolarHBondContact O-CB 3.45Å; I157-Q161 WeakPolarHBondContact O-CG 3.39Å; I157-Q161 PolarHBondContact O-N 3Å; I157-Y203 HydrophobicContact CB-CE1 4.4Å; I157-Y203 HydrophobicContact CD1-CD1 3.95Å; I157-Y203 HydrophobicContact CD1-CD2 3.49Å; I157-Y203 VanDerWaalsContact CD1-CD2 3.49Å; I157-Y203 HydrophobicContact CD1-CE1 4.27Å; I157-Y203 HydrophobicContact CD1-CE2 3.82Å; I157-Y203 HydrophobicContact CD1-CG 3.56Å; I157-Y203 HydrophobicContact CG1-CD1 3.64Å; I157-Y203 HydrophobicContact CG1-CD2 3.97Å; I157-Y203 HydrophobicContact CG1-CE1 3.65Å; I157-Y203 HydrophobicContact CG1-CE2 3.95Å; I157-Y203 HydrophobicContact CG1-CG 3.82Å; I157-Y203 HydrophobicContact CG2-CE1 4.28Å; I157-Y203 HydrophobicContact CG2-CE2 3.81Å
158	A	98.4	Very high	98	Very high	22 Å²	22	28.1 Å²	28.1	18%	0.182	15%	0.152	C	C	.	.	H	α-helix	trans	-58.1	-45.7	-179.4	0	0	0	0	0	110.9	V108 F154 G155 Q161 A162	V108-A158 HydrophobicContact CB-CB 4.27Å; V108-A158 HydrophobicContact CG1-CB 3.87Å; F154-A158 WeakPolarHBondContact O-CB 3.49Å; F154-A158 PolarHBondContact O-N 3.43Å; G155-A158 PolarHBondContact O-N 3.49Å; A158-Q161 PolarHBondContact O-N 2.99Å; A158-A162 WeakPolarHBondContact O-CB 3.29Å; A158-A162 PolarHBondContact O-N 3.14Å
159	L	98.6	Very high	98	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.8	-43.6	177.1	-177.9	63.2	0	0	0	111.8	T42 F99 L101 V108 A112 I115 L125 G155 I157 A162 L163	T42-L159 HydrophobicContact CG2-CD2 3.43Å; T42-L159 VanDerWaalsContact CG2-CD2 3.43Å; F99-L159 HydrophobicContact CZ-CD1 4.23Å; F99-L159 HydrophobicContact CZ-CD2 4.09Å; L101-L159 HydrophobicContact CD1-CB 4.04Å; L101-L159 HydrophobicContact CD1-CD2 4.01Å; V108-L159 HydrophobicContact CG1-CB 3.81Å; V108-L159 HydrophobicContact CG1-CD1 4.27Å; A112-L159 HydrophobicContact CB-CD1 4.22Å; I115-L159 HydrophobicContact CD1-CD1 3.88Å; L125-L159 HydrophobicContact CD1-CD2 3.93Å; L125-L159 HydrophobicContact CD1-CG 4.42Å; G155-L159 PolarHBondContact O-N 3.3Å; I157-L159 VanDerWaalsContact C-N 3.31Å; I157-L159 PolarHBondContact O-N 2.88Å; L159-A162 PolarHBondContact O-N 3.4Å; L159-L163 HydrophobicContact CD1-CD1 3.93Å; L159-L163 HydrophobicContact CD1-CG 4.29Å; L159-L163 HydrophobicContact CG-CD1 4.06Å; L159-L163 WeakPolarHBondContact O-CG 3.13Å; L159-L163 PolarHBondContact O-N 3.11Å; L159-L163 VanDerWaalsContact O-N 3.09Å
160	T	98.5	Very high	98	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-59.9	-50.6	177	-60.1	0	0	0	0	110.2	N127 P156 I157 A162 L163 L164 V175 F204 L207	N127-T160 PolarHBondContact ND2-OG1 2.8Å; P156-T160 VanDerWaalsContact O-CB 3.23Å; P156-T160 WeakPolarHBondContact O-CB 3.29Å; P156-T160 PolarHBondContact O-N 2.98Å; P156-T160 PolarHBondContact O-OG1 3.24Å; I157-T160 PolarHBondContact O-N 3Å; T160-A162 VanDerWaalsContact C-N 3.28Å; T160-A162 PolarHBondContact O-N 3.28Å; T160-L163 PolarHBondContact O-N 3.21Å; T160-L163 VanDerWaalsContact O-N 3.17Å; T160-L164 WeakPolarHBondContact O-CB 3.45Å; T160-L164 PolarHBondContact O-N 3.27Å; T160-V175 HydrophobicContact CG2-CG1 4.23Å; T160-V175 HydrophobicContact CG2-CG2 4.19Å; T160-F204 HydrophobicContact CG2-CE1 4.28Å; T160-L207 HydrophobicContact CG2-CD2 3.78Å
161	Q	97.8	Very high	98	Very high	107 Å²	107	41 Å²	41	50%	0.5	20%	0.199	S	C	.	.	H	α-helix	trans	-60.5	-36.1	179.3	-73.6	-178.7	-20.9	0	0	112.5	I157 A158 P165 Y203	I157-Q161 HydrophobicContact CG2-CG 4.24Å; I157-Q161 WeakPolarHBondContact O-CB 3.45Å; I157-Q161 WeakPolarHBondContact O-CG 3.39Å; I157-Q161 PolarHBondContact O-N 3Å; A158-Q161 PolarHBondContact O-N 2.99Å; Q161-P165 WeakPolarHBondContact O-CD 3.45Å; Q161-Y203 PolarHBondContact NE2-OH 3.12Å
162	A	98.2	Very high	98	Very high	35 Å²	35	42.7 Å²	42.7	29%	0.289	21%	0.211	S	C	.	.	H	α-helix	trans	-69.9	-33.5	177.4	0	0	0	0	0	112.9	A112 A158 L159 T160	A112-A162 HydrophobicContact CB-CB 3.4Å; A158-A162 WeakPolarHBondContact O-CB 3.29Å; A158-A162 PolarHBondContact O-N 3.14Å; L159-A162 PolarHBondContact O-N 3.4Å; T160-A162 VanDerWaalsContact C-N 3.28Å; T160-A162 PolarHBondContact O-N 3.28Å
163	L	98.4	Very high	98	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-89.1	-26.4	179.6	-65.9	175.2	0	0	0	113.5	A112 I115 L116 V122 L125 L159 T160 S166	A112-L163 HydrophobicContact CB-CD2 3.92Å; A112-L163 HydrophobicContact CB-CG 4.19Å; I115-L163 HydrophobicContact CB-CD2 4.49Å; I115-L163 HydrophobicContact CG2-CD1 4.48Å; I115-L163 HydrophobicContact CG2-CD2 4.12Å; L116-L163 HydrophobicContact CD1-CD2 4.1Å; L116-L163 HydrophobicContact CD2-CD2 4.15Å; L116-L163 HydrophobicContact CG-CD2 3.77Å; V122-L163 HydrophobicContact CG2-CD1 4.47Å; V122-L163 HydrophobicContact CG2-CD2 4.17Å; L125-L163 HydrophobicContact CD1-CD1 4.03Å; L125-L163 HydrophobicContact CD2-CD1 4.1Å; L159-L163 HydrophobicContact CD1-CD1 3.93Å; L159-L163 HydrophobicContact CD1-CG 4.29Å; L159-L163 HydrophobicContact CG-CD1 4.06Å; L159-L163 WeakPolarHBondContact O-CG 3.13Å; L159-L163 PolarHBondContact O-N 3.11Å; L159-L163 VanDerWaalsContact O-N 3.09Å; T160-L163 PolarHBondContact O-N 3.21Å; T160-L163 VanDerWaalsContact O-N 3.17Å; L163-S166 WeakPolarHBondContact O-CB 3.41Å; L163-S166 PolarHBondContact O-N 3.22Å; L163-S166 VanDerWaalsContact O-N 3.1Å
164	L	98.1	Very high	98	Very high	22 Å²	22	40.9 Å²	40.9	12%	0.115	21%	0.206	C	C	.	.	H	α-helix	trans	-57.2	-40.3	-172.8	-170.5	66.6	0	0	0	114.2	T160 S166 M167 V168 L207 M211 I216	T160-L164 WeakPolarHBondContact O-CB 3.45Å; T160-L164 PolarHBondContact O-N 3.27Å; L164-S166 PolarHBondContact O-N 2.9Å; L164-M167 WeakPolarHBondContact O-CB 3.41Å; L164-M167 PolarHBondContact O-N 3.01Å; L164-V168 HydrophobicContact CG-CG2 4.21Å; L164-V168 WeakPolarHBondContact O-CG2 3.39Å; L164-V168 PolarHBondContact O-N 2.83Å; L164-L207 HydrophobicContact CD2-CD1 3.82Å; L164-M211 HydrophobicContact CD1-CG 4.18Å; L164-M211 HydrophobicContact CD1-SD 3.87Å; L164-M211 HydrophobicContact CD2-CG 4.45Å; L164-M211 HydrophobicContact CD2-SD 3.74Å; L164-M211 HydrophobicContact CG-SD 4.03Å; L164-I216 HydrophobicContact CD1-CD1 3.79Å; L164-I216 HydrophobicContact CD1-CG2 4.44Å
165	P	98	Very high	98	Very high	62 Å²	62	35.8 Å²	35.8	40%	0.403	18%	0.184	S	C	.	.	H	α-helix	trans	-56.8	-33.8	176.9	-28	35.5	0	0	0	113.7	Q161 R169	Q161-P165 WeakPolarHBondContact O-CD 3.45Å; P165-R169 WeakPolarHBondContact O-CG 3.41Å; P165-R169 PolarHBondContact O-N 3.41Å; P165-R169 PolarHBondContact O-NH1 2.95Å
166	S	97.2	Very high	98.1	Very high	13 Å²	13	35.7 Å²	35.7	9%	0.091	18%	0.182	C	C	.	.	H	α-helix	trans	-70.1	-38.3	176.5	-172.8	0	0	0	0	112	L163 L164 R170	L163-S166 WeakPolarHBondContact O-CB 3.41Å; L163-S166 PolarHBondContact O-N 3.22Å; L163-S166 VanDerWaalsContact O-N 3.1Å; L164-S166 PolarHBondContact O-N 2.9Å; S166-R170 WeakPolarHBondContact O-CG 3.26Å; S166-R170 PolarHBondContact O-N 3.22Å; S166-R170 PolarHBondContact O-NE 3.4Å
167	M	98.5	Very high	98.1	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-67.2	-43	173.8	-64.7	177.5	174.8	0	0	111.6	V122 L125 L164 R170 H171 S172 V175 I216	V122-M167 HydrophobicContact CB-CE 4.14Å; V122-M167 HydrophobicContact CG1-CE 3.71Å; V122-M167 WeakPolarHBondContact O-CE 3.25Å; L125-M167 HydrophobicContact CB-CE 4.15Å; L164-M167 WeakPolarHBondContact O-CB 3.41Å; L164-M167 PolarHBondContact O-N 3.01Å; M167-R170 CarbonylContact O-C 3.57Å; M167-R170 PolarHBondContact O-N 3.4Å; M167-H171 PolarHBondContact O-N 3.24Å; M167-S172 WeakPolarHBondContact CA-O 3.48Å; M167-S172 WeakPolarHBondContact CB-O 3.49Å; M167-S172 PolarHBondContact O-N 2.89Å; M167-V175 HydrophobicContact SD-CG2 4.11Å; M167-I216 HydrophobicContact CB-CD1 3.69Å; M167-I216 HydrophobicContact CB-CG1 4.09Å; M167-I216 HydrophobicContact SD-CG2 4.32Å
168	V	98.5	Very high	98.2	Very high	34 Å²	34	35.6 Å²	35.6	21%	0.206	18%	0.182	C	C	.	.	H	α-helix	trans	-60.5	-48.7	178.5	167.9	0	0	0	0	111.2	L164 R170 H171 M211 Y214 I216	L164-V168 HydrophobicContact CG-CG2 4.21Å; L164-V168 WeakPolarHBondContact O-CG2 3.39Å; L164-V168 PolarHBondContact O-N 2.83Å; V168-R170 PolarHBondContact O-N 3.25Å; V168-H171 PolarHBondContact O-CD2 3.45Å; V168-H171 VanDerWaalsContact O-CD2 3.31Å; V168-H171 PolarHBondContact O-N 3.01Å; V168-M211 HydrophobicContact CG2-SD 4.2Å; V168-Y214 HydrophobicContact CG1-CD1 3.71Å; V168-Y214 HydrophobicContact CG1-CD2 4.47Å; V168-Y214 HydrophobicContact CG1-CE1 3.78Å; V168-Y214 HydrophobicContact CG1-CG 4.06Å; V168-Y214 HydrophobicContact CG2-CD2 4.05Å; V168-Y214 HydrophobicContact CG2-CE2 4.47Å; V168-Y214 HydrophobicContact CG2-CG 4.11Å; V168-I216 HydrophobicContact CB-CD1 4.42Å; V168-I216 HydrophobicContact CG2-CD1 3.59Å
169	R	98.1	Very high	98.1	Very high	180 Å²	180	34.6 Å²	34.6	68%	0.679	17%	0.174	S	C	*	.	H	α-helix	trans	-59.1	-33.2	178	-76.3	-171.2	-61.1	-90.2	2.8	113.2	P165	P165-R169 WeakPolarHBondContact O-CG 3.41Å; P165-R169 PolarHBondContact O-N 3.41Å; P165-R169 PolarHBondContact O-NH1 2.95Å
170	R	97.5	Very high	98	Very high	85 Å²	85	35 Å²	35	32%	0.321	18%	0.176	S	C	.	.	H	α-helix	trans	-87.5	-6.7	179.1	-66.7	-176	-56.1	122	5.3	113.6	H121 V122 D123 S166 M167 V168 S172	H121-R170 PolarHBondContact CD2-NH1 2.92Å; V122-R170 PolarHBondContact O-NH2 3.36Å; D123-R170 IonicContact OD1-CZ 3.85Å; D123-R170 IonicContact OD1-NH1 2.87Å; D123-R170 PolarHBondContact OD1-NH1 3.01Å; D123-R170 IonicContact OD1-NH2 3.96Å; S166-R170 WeakPolarHBondContact O-CG 3.26Å; S166-R170 PolarHBondContact O-N 3.22Å; S166-R170 PolarHBondContact O-NE 3.4Å; M167-R170 CarbonylContact O-C 3.57Å; M167-R170 PolarHBondContact O-N 3.4Å; V168-R170 PolarHBondContact O-N 3.25Å; R170-S172 PolarHBondContact NH2-O 3.48Å; R170-S172 VanDerWaalsContact NH2-O 3.11Å; R170-S172 PolarHBondContact O-N 3.04Å; R170-S172 VanDerWaalsContact O-N 3.14Å
171	H	97.8	Very high	97.9	Very high	104 Å²	104	35.2 Å²	35.2	48%	0.481	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	37.2	-170.2	-74.6	-103.4	0	0	0	113	M167 V168 Y214 N215	M167-H171 PolarHBondContact O-N 3.24Å; V168-H171 PolarHBondContact O-CD2 3.45Å; V168-H171 VanDerWaalsContact O-CD2 3.31Å; V168-H171 PolarHBondContact O-N 3.01Å; H171-Y214 CarbonylContact C-O 3.18Å; H171-Y214 WeakPolarHBondContact CA-O 3.21Å; H171-N215 WeakPolarHBondContact O-CB 3.42Å; H171-N215 PolarHBondContact O-ND2 2.95Å
172	S	97	Very high	97.9	Very high	46 Å²	46	30.4 Å²	30.4	32%	0.322	16%	0.155	S	C	.	.			trans	-156.7	132.6	-176.3	-174.8	0	0	0	0	110.2	M167 R170	M167-S172 WeakPolarHBondContact CA-O 3.48Å; M167-S172 WeakPolarHBondContact CB-O 3.49Å; M167-S172 PolarHBondContact O-N 2.89Å; R170-S172 PolarHBondContact NH2-O 3.48Å; R170-S172 VanDerWaalsContact NH2-O 3.11Å; R170-S172 PolarHBondContact O-N 3.04Å; R170-S172 VanDerWaalsContact O-N 3.14Å
173	G	97.8	Very high	97.8	Very high	7 Å²	7	28.9 Å²	28.9	7%	0.072	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.6	163.1	175.2	0	0	0	0	0	111.5	D123 I216 Q217	D123-G173 CarbonylContact O-C 3.59Å; D123-G173 WeakPolarHBondContact O-CA 3.45Å; G173-I216 CarbonylContact O-C 3.53Å; G173-I216 WeakPolarHBondContact O-CA 3.31Å; G173-Q217 PolarHBondContact O-N 3.05Å
174	H	98.7	Very high	97.7	Very high	10 Å²	10	31 Å²	31	5%	0.046	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	115.5	176.9	-163.2	163.9	0	0	0	110	D123 V124 L125 Q217 T219	D123-H174 PolarHBondContact O-N 3.21Å; V124-H174 CarbonylContact C-O 3.53Å; V124-H174 VanDerWaalsContact CA-O 3.25Å; V124-H174 WeakPolarHBondContact CA-O 3.24Å; V124-H174 HydrophobicContact CG1-CB 4.43Å; V124-H174 HydrophobicContact CG2-CB 4.25Å; L125-H174 PolarHBondContact N-O 3.37Å; H174-Q217 CarbonylContact C-O 3.4Å; H174-Q217 WeakPolarHBondContact CA-O 3.41Å; H174-Q217 HydrophobicContact CB-CB 4.35Å; H174-Q217 PolarHBondContact CD2-O 3.29Å; H174-T219 PolarHBondContact CE1-OG1 2.99Å; H174-T219 PolarHBondContact NE2-OG1 3.42Å
175	V	98.8	Very high	97.6	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	119.3	172.5	-173.8	0	0	0	0	109.6	L125 T160 M167 F204 L207 I216 Q217 V218 T219	L125-V175 HydrophobicContact CD2-CG1 4.37Å; T160-V175 HydrophobicContact CG2-CG1 4.23Å; T160-V175 HydrophobicContact CG2-CG2 4.19Å; M167-V175 HydrophobicContact SD-CG2 4.11Å; V175-F204 HydrophobicContact CG1-CD1 4.13Å; V175-F204 HydrophobicContact CG1-CE1 3.61Å; V175-L207 HydrophobicContact CG2-CD2 4.47Å; V175-I216 HydrophobicContact CG2-CG2 4.5Å; V175-Q217 PolarHBondContact N-O 2.87Å; V175-V218 HydrophobicContact CB-CG2 4.43Å; V175-V218 CarbonylContact O-C 3.34Å; V175-V218 VanDerWaalsContact O-CA 3.25Å; V175-V218 WeakPolarHBondContact O-CA 3.42Å; V175-T219 PolarHBondContact O-N 3.36Å
176	V	98.8	Very high	97.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	129.3	175	-174.9	0	0	0	0	108.3	V124 L125 I126 N127 I178 T219 V221 V262 V266	V124-V176 HydrophobicContact CG1-CG2 4.08Å; L125-V176 PolarHBondContact O-N 2.96Å; I126-V176 CarbonylContact C-O 3.6Å; I126-V176 WeakPolarHBondContact CA-O 3.33Å; I126-V176 HydrophobicContact CG1-CB 4.3Å; N127-V176 PolarHBondContact N-O 3.21Å; V176-I178 HydrophobicContact CG1-CD1 4.42Å; V176-T219 CarbonylContact C-O 3.59Å; V176-T219 WeakPolarHBondContact CA-O 3.27Å; V176-T219 HydrophobicContact CG1-CG2 4.36Å; V176-V221 HydrophobicContact CG1-CG2 4.04Å; V176-V262 HydrophobicContact CG1-CG1 4.2Å; V176-V266 HydrophobicContact CG2-CG2 3.58Å
177	V	98.5	Very high	97.3	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.018	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128.8	175.8	62.4	0	0	0	0	111.3	N127 S179 T200 F204 T219 V220 V221	N127-V177 HydrophobicContact CB-CB 4.25Å; N127-V177 HydrophobicContact CB-CG2 4.12Å; V177-S179 PolarHBondContact O-N 3.42Å; V177-T200 HydrophobicContact CG2-CG2 3.46Å; V177-T200 VanDerWaalsContact CG2-CG2 3.46Å; V177-F204 HydrophobicContact CB-CD1 4.42Å; V177-F204 HydrophobicContact CB-CD2 3.95Å; V177-F204 HydrophobicContact CB-CE1 4.5Å; V177-F204 HydrophobicContact CB-CE2 4.04Å; V177-F204 HydrophobicContact CB-CG 4.18Å; V177-F204 HydrophobicContact CB-CZ 4.31Å; V177-F204 HydrophobicContact CG1-CB 3.93Å; V177-F204 HydrophobicContact CG1-CD1 4.2Å; V177-F204 HydrophobicContact CG1-CD2 3.74Å; V177-F204 HydrophobicContact CG1-CE2 4.34Å; V177-F204 HydrophobicContact CG1-CG 3.67Å; V177-F204 HydrophobicContact CG2-CD2 3.84Å; V177-F204 HydrophobicContact CG2-CE2 3.71Å; V177-F204 HydrophobicContact CG2-CZ 4.32Å; V177-T219 PolarHBondContact N-O 3.11Å; V177-V220 HydrophobicContact CG1-CB 4.03Å; V177-V220 HydrophobicContact CG1-CG1 4.03Å; V177-V220 HydrophobicContact CG1-CG2 3.54Å; V177-V221 PolarHBondContact O-N 3.05Å
178	I	98.3	Very high	97.2	Very high	12 Å²	12	30.6 Å²	30.6	6%	0.062	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	97.7	173.4	-49.6	-53.8	0	0	0	108.4	L48 I126 N127 N128 V176 K197 V221 P223 V262	L48-I178 HydrophobicContact CD2-CD1 4.26Å; L48-I178 HydrophobicContact CD2-CG1 4.15Å; L48-I178 HydrophobicContact CD2-CG2 3.81Å; I126-I178 HydrophobicContact CG2-CG1 4.5Å; N127-I178 PolarHBondContact O-N 3.44Å; N128-I178 HydrophobicContact CB-CB 4.44Å; N128-I178 HydrophobicContact CB-CG1 3.74Å; V176-I178 HydrophobicContact CG1-CD1 4.42Å; I178-K197 PolarHBondContact O-NZ 3.09Å; I178-V221 HydrophobicContact CD1-CB 3.95Å; I178-V221 HydrophobicContact CD1-CG1 4.49Å; I178-V221 HydrophobicContact CD1-CG2 4.1Å; I178-P223 HydrophobicContact CG2-CG 4.22Å; I178-V262 HydrophobicContact CD1-CG2 3.9Å
179	S	96.8	Very high	97	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.014	15%	0.149	C	C	.	.			trans	-86.6	-137.5	173	-172.7	0	0	0	0	109.9	V177 K197 V221	V177-S179 PolarHBondContact O-N 3.42Å; S179-K197 PolarHBondContact OG-O 2.9Å; S179-V221 WeakPolarHBondContact CA-O 3.25Å; S179-V221 PolarHBondContact N-O 3.14Å
180	S	96.9	Very high	96.9	Very high	7 Å²	7	22.9 Å²	22.9	5%	0.049	12%	0.12	C	C	.	.			trans	-161.5	164.1	173.7	-179.4	0	0	0	0	108.6	Q182 G183 P223	S180-Q182 PolarHBondContact O-N 2.85Å; S180-Q182 VanDerWaalsContact O-N 3.15Å; S180-Q182 PolarHBondContact OG-N 2.85Å; S180-Q182 VanDerWaalsContact OG-N 3.09Å; S180-G183 PolarHBondContact O-N 3.38Å; S180-P223 CarbonylContact C-O 3.24Å; S180-P223 WeakPolarHBondContact CA-O 3.26Å; S180-P223 PolarHBondContact OG-O 3.23Å
181	V	96.7	Very high	96.8	Very high	6 Å²	6	20.1 Å²	20.1	4%	0.036	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-51.1	-30.1	158.1	-65.9	0	0	0	0	111.6	G183 K184 I185 P223 L274 A276 P280 I284	V181-G183 PolarHBondContact O-N 3.31Å; V181-K184 PolarHBondContact O-N 2.64Å; V181-I185 WeakPolarHBondContact O-CG1 2.98Å; V181-I185 PolarHBondContact O-N 3.44Å; V181-P223 PolarHBondContact N-O 2.86Å; V181-L274 HydrophobicContact CG1-CD1 3.98Å; V181-A276 HydrophobicContact CG1-CB 3.48Å; V181-A276 VanDerWaalsContact CG1-CB 3.48Å; V181-P280 HydrophobicContact CG1-CB 4.26Å; V181-I284 HydrophobicContact CG1-CD1 4.39Å
182	Q	96.8	Very high	96.8	Very high	7 Å²	7	15.2 Å²	15.2	3%	0.033	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-71.7	-4.6	175.8	-72.4	-175.9	86.2	0	0	114.8	S180 K184 I185 I187 R190 Y193 A194 H198	S180-Q182 PolarHBondContact O-N 2.85Å; S180-Q182 VanDerWaalsContact O-N 3.15Å; S180-Q182 PolarHBondContact OG-N 2.85Å; S180-Q182 VanDerWaalsContact OG-N 3.09Å; Q182-K184 VanDerWaalsContact C-N 3.3Å; Q182-I185 CarbonylContact C-O 3.59Å; Q182-I185 WeakPolarHBondContact CA-O 3.14Å; Q182-I185 VanDerWaalsContact O-O 3.11Å; Q182-I187 HydrophobicContact CG-CD1 3.75Å; Q182-I187 HydrophobicContact CG-CG1 4.05Å; Q182-R190 VanDerWaalsContact OE1-CB 3.23Å; Q182-Y193 HydrophobicContact CB-CD1 4.17Å; Q182-Y193 HydrophobicContact CB-CE1 4.09Å; Q182-A194 HydrophobicContact CB-CB 4.37Å; Q182-H198 PolarHBondContact O-CE1 2.91Å; Q182-H198 PolarHBondContact O-ND1 3.43Å
183	G	96.4	Very high	96.9	Very high	3 Å²	3	13.7 Å²	13.7	3%	0.031	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-84.5	-4	165.3	0	0	0	0	0	113.8	S180 V181 K197 H198	S180-G183 PolarHBondContact O-N 3.38Å; V181-G183 PolarHBondContact O-N 3.31Å; G183-K197 VanDerWaalsContact CA-C 3.47Å; G183-K197 WeakPolarHBondContact CA-O 3.49Å; G183-H198 PolarHBondContact O-CD2 3.49Å; G183-H198 VanDerWaalsContact O-CD2 3.32Å
184	K	96.5	Very high	96.9	Very high	44 Å²	44	13.6 Å²	13.6	19%	0.191	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.3	-29.9	179.1	-65	-178.4	178.8	-77.3	0	112.8	V181 Q182 S222 E272 I284 R287	V181-K184 PolarHBondContact O-N 2.64Å; Q182-K184 VanDerWaalsContact C-N 3.3Å; K184-S222 WeakPolarHBondContact CE-OG 3.21Å; K184-E272 WeakPolarHBondContact CE-OE1 3.49Å; K184-E272 IonicContact NZ-OE1 3.55Å; K184-E272 PolarHBondContact NZ-OE1 3.23Å; K184-E272 IonicContact NZ-OE2 3.82Å; K184-I284 HydrophobicContact CB-CD1 4.25Å; K184-I284 HydrophobicContact CB-CG1 4.11Å; K184-I284 HydrophobicContact CB-CG2 4.34Å; K184-I284 HydrophobicContact CD-CD1 4.21Å; K184-R287 WeakPolarHBondContact O-CD 3.47Å; K184-R287 PolarHBondContact O-NE 3.32Å; K184-R287 VanDerWaalsContact O-NE 3.16Å
185	I	96.8	Very high	96.9	Very high	6 Å²	6	15.5 Å²	15.5	3%	0.031	9%	0.094	C	C	.	.	S	Bend	trans	-129.8	152.5	175.7	53.5	165.9	0	0	0	110.1	V181 Q182 H198 A283 I284 R287 F294	V181-I185 WeakPolarHBondContact O-CG1 2.98Å; V181-I185 PolarHBondContact O-N 3.44Å; Q182-I185 CarbonylContact C-O 3.59Å; Q182-I185 WeakPolarHBondContact CA-O 3.14Å; Q182-I185 VanDerWaalsContact O-O 3.11Å; I185-H198 PolarHBondContact O-CE1 3.48Å; I185-A283 HydrophobicContact CD1-CB 4.07Å; I185-I284 HydrophobicContact CD1-CG1 4.46Å; I185-I284 HydrophobicContact CG1-CG1 4.28Å; I185-I284 HydrophobicContact CG2-CB 4.21Å; I185-I284 HydrophobicContact CG2-CG1 3.71Å; I185-R287 HydrophobicContact CG2-CB 3.98Å; I185-R287 HydrophobicContact CG2-CG 4.42Å; I185-F294 HydrophobicContact CB-CE2 4.19Å; I185-F294 HydrophobicContact CB-CZ 3.95Å; I185-F294 HydrophobicContact CG2-CE2 4Å; I185-F294 HydrophobicContact CG2-CZ 4.13Å
186	A	94.9	Very high	96.8	Very high	43 Å²	43	15.5 Å²	15.5	36%	0.355	9%	0.094	S	C	.	.			trans	-102.3	137.8	173.3	0	0	0	0	0	110.2	A194	A186-A194 HydrophobicContact CB-CB 4.38Å
187	I	94.1	Very high	96.8	Very high	19 Å²	19	15.9 Å²	15.9	10%	0.097	10%	0.096	C	C	.	.			trans	-114.9	139.4	176.8	-58.4	177.3	0	0	0	107.8	Q182	Q182-I187 HydrophobicContact CG-CD1 3.75Å; Q182-I187 HydrophobicContact CG-CG1 4.05Å
188	P	95.2	Very high	96.8	Very high	24 Å²	24	18.4 Å²	18.4	16%	0.156	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	154.1	175.5	-28	35.7	0	0	0	113.8	R190 M298 A302	P188-R190 PolarHBondContact O-N 3Å; P188-R190 VanDerWaalsContact O-N 3.14Å; P188-M298 WeakPolarHBondContact CG-O 3.21Å; P188-A302 HydrophobicContact CB-CB 3.87Å; P188-A302 HydrophobicContact CG-CB 3.87Å
189	Y	95	Very high	96.8	Very high	32 Å²	32	19 Å²	19	13%	0.125	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	18.2	179.9	-53.3	-87.1	0	0	0	116.2	R134 G135 N136 A302 E305 Q306	R134-Y189 WeakPolarHBondContact CA-O 3.45Å; G135-Y189 PolarHBondContact N-O 2.86Å; G135-Y189 CarbonylContact O-C 3.47Å; G135-Y189 VanDerWaalsContact O-C 3.24Å; G135-Y189 WeakPolarHBondContact O-CA 3.41Å; N136-Y189 HydrophobicContact CB-CD1 4.04Å; N136-Y189 HydrophobicContact CB-CE1 4.06Å; Y189-A302 HydrophobicContact CE2-CB 4.4Å; Y189-A302 PolarHBondContact OH-O 2.89Å; Y189-E305 HydrophobicContact CD2-CB 4.14Å; Y189-E305 WeakPolarHBondContact CD2-OE2 3.49Å; Y189-E305 HydrophobicContact CE2-CB 3.7Å; Y189-Q306 WeakPolarHBondContact OH-CB 3.38Å; Y189-Q306 PolarHBondContact OH-OE1 3.2Å
190	R	95.6	Very high	96.9	Very high	20 Å²	20	19 Å²	19	8%	0.075	11%	0.114	C	C	.	.			trans	-135.3	27.4	-177.7	-60	-177.5	-178.1	-113.1	-1.9	112.3	R134 Q182 P188 A192 Y193 A194 D246	R134-R190 VanDerWaalsContact CZ-NH1 3.34Å; Q182-R190 VanDerWaalsContact OE1-CB 3.23Å; P188-R190 PolarHBondContact O-N 3Å; P188-R190 VanDerWaalsContact O-N 3.14Å; R190-A192 PolarHBondContact O-N 3.22Å; R190-Y193 PolarHBondContact O-N 2.82Å; R190-A194 WeakPolarHBondContact O-CB 3.37Å; R190-A194 PolarHBondContact O-N 3.02Å; R190-D246 IonicContact CZ-OD2 3.17Å; R190-D246 IonicContact NH1-OD2 3.7Å; R190-D246 IonicContact NH2-OD2 3.62Å; R190-D246 PolarHBondContact NH2-OD2 2.88Å
191	S	96.3	Very high	96.9	Very high	26 Å²	26	19.1 Å²	19.1	18%	0.182	11%	0.114	C	C	.	.	H	α-helix	trans	-51.9	-54.3	-171.7	50.3	0	0	0	0	113.7	Y193 A194 A195	S191-Y193 VanDerWaalsContact C-N 3.32Å; S191-Y193 PolarHBondContact O-N 2.98Å; S191-A194 PolarHBondContact O-N 3.41Å; S191-A195 VanDerWaalsContact O-CB 3.26Å; S191-A195 WeakPolarHBondContact O-CB 3.4Å; S191-A195 PolarHBondContact O-N 3.15Å
192	A	97.6	Very high	96.9	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.008	14%	0.135	C	C	.	.	H	α-helix	trans	-58.9	-42.3	180	0	0	0	0	0	112.6	H133 V148 R190 S196	H133-A192 HydrophobicContact CB-CB 4.02Å; V148-A192 HydrophobicContact CB-CB 4.04Å; V148-A192 HydrophobicContact CG1-CB 4.04Å; V148-A192 WeakPolarHBondContact CG1-O 3.36Å; V148-A192 HydrophobicContact CG2-CB 4.06Å; R190-A192 PolarHBondContact O-N 3.22Å; A192-S196 WeakPolarHBondContact O-CB 3.43Å; A192-S196 PolarHBondContact O-N 3.21Å; A192-S196 PolarHBondContact O-OG 2.9Å; A192-S196 VanDerWaalsContact O-OG 3.11Å
193	Y	98.1	Very high	97	Very high	15 Å²	15	23.5 Å²	23.5	6%	0.059	14%	0.142	C	C	.	.	H	α-helix	trans	-69	-46.4	178.4	-177	-105.7	0	0	0	112.6	I131 Q182 R190 S191 S196 K197	I131-Y193 WeakPolarHBondContact O-CD2 3.35Å; I131-Y193 VanDerWaalsContact O-CE2 3.26Å; I131-Y193 WeakPolarHBondContact O-CE2 3.31Å; Q182-Y193 HydrophobicContact CB-CD1 4.17Å; Q182-Y193 HydrophobicContact CB-CE1 4.09Å; R190-Y193 PolarHBondContact O-N 2.82Å; S191-Y193 VanDerWaalsContact C-N 3.32Å; S191-Y193 PolarHBondContact O-N 2.98Å; Y193-S196 PolarHBondContact O-N 3.21Å; Y193-S196 PolarHBondContact O-OG 3.43Å; Y193-K197 HydrophobicContact CD1-CG 4.47Å; Y193-K197 HydrophobicContact CD2-CG 4.37Å; Y193-K197 HydrophobicContact CE1-CG 4.06Å; Y193-K197 HydrophobicContact CE2-CD 4.39Å; Y193-K197 HydrophobicContact CE2-CG 3.99Å; Y193-K197 WeakPolarHBondContact O-CG 3.31Å; Y193-K197 PolarHBondContact O-N 3.38Å
194	A	97.7	Very high	97.1	Very high	4 Å²	4	23.4 Å²	23.4	3%	0.033	14%	0.141	C	C	.	.	H	α-helix	trans	-64	-41.7	178.3	0	0	0	0	0	111.5	Q182 A186 R190 S191 K197 H198	Q182-A194 HydrophobicContact CB-CB 4.37Å; A186-A194 HydrophobicContact CB-CB 4.38Å; R190-A194 WeakPolarHBondContact O-CB 3.37Å; R190-A194 PolarHBondContact O-N 3.02Å; S191-A194 PolarHBondContact O-N 3.41Å; A194-K197 PolarHBondContact O-N 2.91Å; A194-H198 PolarHBondContact O-N 3.32Å; A194-H198 PolarHBondContact O-ND1 3.41Å
195	A	98.3	Very high	97.2	Very high	51 Å²	51	24 Å²	24	42%	0.421	15%	0.146	S	C	.	.	H	α-helix	trans	-59.8	-52.4	176.2	0	0	0	0	0	111.3	S191 K197 H198 A199	S191-A195 VanDerWaalsContact O-CB 3.26Å; S191-A195 WeakPolarHBondContact O-CB 3.4Å; S191-A195 PolarHBondContact O-N 3.15Å; A195-K197 VanDerWaalsContact C-N 3.35Å; A195-K197 PolarHBondContact O-N 2.9Å; A195-H198 PolarHBondContact O-N 2.99Å; A195-A199 PolarHBondContact O-N 2.86Å
196	S	98.5	Very high	97.3	Very high	0 Å²	0	27 Å²	27	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-57.6	-44.2	177.3	60	0	0	0	0	112.7	M149 N152 A192 Y193 H198 A199 T200	M149-S196 WeakPolarHBondContact SD-CA 3.41Å; N152-S196 PolarHBondContact ND2-OG 2.9Å; N152-S196 VanDerWaalsContact ND2-OG 3.08Å; A192-S196 WeakPolarHBondContact O-CB 3.43Å; A192-S196 PolarHBondContact O-N 3.21Å; A192-S196 PolarHBondContact O-OG 2.9Å; A192-S196 VanDerWaalsContact O-OG 3.11Å; Y193-S196 PolarHBondContact O-N 3.21Å; Y193-S196 PolarHBondContact O-OG 3.43Å; S196-H198 PolarHBondContact O-N 3.12Å; S196-A199 PolarHBondContact O-N 2.82Å; S196-T200 WeakPolarHBondContact O-CB 3.37Å; S196-T200 PolarHBondContact O-N 3.43Å; S196-T200 PolarHBondContact O-OG1 3.45Å
197	K	98.1	Very high	97.5	Very high	8 Å²	8	25.2 Å²	25.2	4%	0.035	15%	0.152	C	C	.	.	H	α-helix	trans	-69.7	-29.6	179.5	-66.2	-54.8	-171.5	179.4	0	113.7	I178 S179 G183 Y193 A194 A195 Q201	I178-K197 PolarHBondContact O-NZ 3.09Å; S179-K197 PolarHBondContact OG-O 2.9Å; G183-K197 VanDerWaalsContact CA-C 3.47Å; G183-K197 WeakPolarHBondContact CA-O 3.49Å; Y193-K197 HydrophobicContact CD1-CG 4.47Å; Y193-K197 HydrophobicContact CD2-CG 4.37Å; Y193-K197 HydrophobicContact CE1-CG 4.06Å; Y193-K197 HydrophobicContact CE2-CD 4.39Å; Y193-K197 HydrophobicContact CE2-CG 3.99Å; Y193-K197 WeakPolarHBondContact O-CG 3.31Å; Y193-K197 PolarHBondContact O-N 3.38Å; A194-K197 PolarHBondContact O-N 2.91Å; A195-K197 VanDerWaalsContact C-N 3.35Å; A195-K197 PolarHBondContact O-N 2.9Å; K197-Q201 WeakPolarHBondContact O-CB 3.5Å; K197-Q201 PolarHBondContact O-N 3.25Å
198	H	98.4	Very high	97.6	Very high	56 Å²	56	26.4 Å²	26.4	26%	0.259	16%	0.155	S	C	.	.	H	α-helix	trans	-69	-43.2	170.1	-80.1	76	0	0	0	111.2	Q182 G183 I185 A194 A195 S196 Q201 A202	Q182-H198 PolarHBondContact O-CE1 2.91Å; Q182-H198 PolarHBondContact O-ND1 3.43Å; G183-H198 PolarHBondContact O-CD2 3.49Å; G183-H198 VanDerWaalsContact O-CD2 3.32Å; I185-H198 PolarHBondContact O-CE1 3.48Å; A194-H198 PolarHBondContact O-N 3.32Å; A194-H198 PolarHBondContact O-ND1 3.41Å; A195-H198 PolarHBondContact O-N 2.99Å; S196-H198 PolarHBondContact O-N 3.12Å; H198-Q201 WeakPolarHBondContact O-CB 3.32Å; H198-Q201 PolarHBondContact O-N 2.81Å; H198-A202 PolarHBondContact O-N 3.19Å
199	A	98.5	Very high	97.8	Very high	26 Å²	26	28.6 Å²	28.6	22%	0.215	18%	0.175	C	C	.	.	H	α-helix	trans	-60.5	-46.7	176.3	0	0	0	0	0	110.9	M149 Y153 A195 S196 Q201 A202 Y203	M149-A199 HydrophobicContact CE-CB 4.05Å; Y153-A199 HydrophobicContact CD2-CB 3.53Å; Y153-A199 VanDerWaalsContact CE2-C 3.48Å; Y153-A199 HydrophobicContact CE2-CB 3.65Å; Y153-A199 WeakPolarHBondContact CE2-O 3.29Å; Y153-A199 HydrophobicContact CG-CB 4.06Å; A195-A199 PolarHBondContact O-N 2.86Å; S196-A199 PolarHBondContact O-N 2.82Å; A199-Q201 PolarHBondContact O-N 3.47Å; A199-A202 PolarHBondContact O-N 3.33Å; A199-Y203 PolarHBondContact O-N 3.45Å
200	T	97.8	Very high	97.9	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	20%	0.196	C	C	.	.	H	α-helix	trans	-56.2	-49.6	173.9	-55.1	0	0	0	0	111	N152 V177 S196 A202 Y203 F204	N152-T200 PolarHBondContact O-OG1 3.23Å; V177-T200 HydrophobicContact CG2-CG2 3.46Å; V177-T200 VanDerWaalsContact CG2-CG2 3.46Å; S196-T200 WeakPolarHBondContact O-CB 3.37Å; S196-T200 PolarHBondContact O-N 3.43Å; S196-T200 PolarHBondContact O-OG1 3.45Å; T200-A202 PolarHBondContact O-N 3.24Å; T200-Y203 PolarHBondContact O-N 2.97Å; T200-F204 HydrophobicContact CG2-CD2 3.66Å; T200-F204 HydrophobicContact CG2-CE2 3.79Å; T200-F204 VanDerWaalsContact O-CD2 3.25Å; T200-F204 WeakPolarHBondContact O-CD2 3.27Å; T200-F204 PolarHBondContact O-N 3.12Å
201	Q	97.3	Very high	98.1	Very high	10 Å²	10	32.9 Å²	32.9	5%	0.047	20%	0.197	C	C	.	.	H	α-helix	trans	-54.6	-52.5	178.3	179.3	73.7	51.6	0	0	111.2	K197 H198 A199 Y203 F204 D205	K197-Q201 WeakPolarHBondContact O-CB 3.5Å; K197-Q201 PolarHBondContact O-N 3.25Å; H198-Q201 WeakPolarHBondContact O-CB 3.32Å; H198-Q201 PolarHBondContact O-N 2.81Å; A199-Q201 PolarHBondContact O-N 3.47Å; Q201-Y203 PolarHBondContact O-N 2.92Å; Q201-F204 PolarHBondContact O-N 3.49Å; Q201-D205 PolarHBondContact NE2-OD1 3.02Å; Q201-D205 PolarHBondContact NE2-OD2 3.39Å; Q201-D205 WeakPolarHBondContact O-CB 3.36Å; Q201-D205 PolarHBondContact O-N 3.25Å
202	A	98.3	Very high	98	Very high	58 Å²	58	37.9 Å²	37.9	48%	0.479	22%	0.218	S	C	.	.	H	α-helix	trans	-61	-45.7	-178.3	0	0	0	0	0	112.4	H198 A199 T200 F204 D205 C206	H198-A202 PolarHBondContact O-N 3.19Å; A199-A202 PolarHBondContact O-N 3.33Å; T200-A202 PolarHBondContact O-N 3.24Å; A202-F204 PolarHBondContact O-N 3.33Å; A202-D205 PolarHBondContact O-N 2.92Å; A202-C206 PolarHBondContact O-N 3.08Å; A202-C206 VanDerWaalsContact O-N 3.08Å; A202-C206 PolarHBondContact O-SG 3.3Å
203	Y	98.6	Very high	98	Very high	47 Å²	47	46.8 Å²	46.8	18%	0.184	25%	0.251	C	S	.	.	H	α-helix	trans	-60.4	-48.1	179.1	179	-84.5	0	0	0	112.2	Y153 I157 Q161 A199 T200 Q201 D205 C206 L207	Y153-Y203 HydrophobicContact CE2-CG 4.47Å; I157-Y203 HydrophobicContact CB-CE1 4.4Å; I157-Y203 HydrophobicContact CD1-CD1 3.95Å; I157-Y203 HydrophobicContact CD1-CD2 3.49Å; I157-Y203 VanDerWaalsContact CD1-CD2 3.49Å; I157-Y203 HydrophobicContact CD1-CE1 4.27Å; I157-Y203 HydrophobicContact CD1-CE2 3.82Å; I157-Y203 HydrophobicContact CD1-CG 3.56Å; I157-Y203 HydrophobicContact CG1-CD1 3.64Å; I157-Y203 HydrophobicContact CG1-CD2 3.97Å; I157-Y203 HydrophobicContact CG1-CE1 3.65Å; I157-Y203 HydrophobicContact CG1-CE2 3.95Å; I157-Y203 HydrophobicContact CG1-CG 3.82Å; I157-Y203 HydrophobicContact CG2-CE1 4.28Å; I157-Y203 HydrophobicContact CG2-CE2 3.81Å; Q161-Y203 PolarHBondContact NE2-OH 3.12Å; A199-Y203 PolarHBondContact O-N 3.45Å; T200-Y203 PolarHBondContact O-N 2.97Å; Q201-Y203 PolarHBondContact O-N 2.92Å; Y203-D205 VanDerWaalsContact C-N 3.26Å; Y203-D205 PolarHBondContact O-N 3.44Å; Y203-C206 WeakPolarHBondContact O-CB 3.26Å; Y203-C206 PolarHBondContact O-N 3.07Å; Y203-L207 HydrophobicContact CE1-CB 4.46Å; Y203-L207 PolarHBondContact O-N 3.01Å
204	F	98.5	Very high	98	Very high	1 Å²	1	48.6 Å²	48.6	0%	0.004	26%	0.258	C	S	.	.	H	α-helix	trans	-72.7	-21.6	-178.9	-76.7	-76.6	0	0	0	112.6	P156 T160 V175 V177 T200 Q201 A202 L207 R208 V218 V220	P156-F204 HydrophobicContact CB-CE2 4.44Å; P156-F204 HydrophobicContact CB-CZ 4.37Å; T160-F204 HydrophobicContact CG2-CE1 4.28Å; V175-F204 HydrophobicContact CG1-CD1 4.13Å; V175-F204 HydrophobicContact CG1-CE1 3.61Å; V177-F204 HydrophobicContact CB-CD1 4.42Å; V177-F204 HydrophobicContact CB-CD2 3.95Å; V177-F204 HydrophobicContact CB-CE1 4.5Å; V177-F204 HydrophobicContact CB-CE2 4.04Å; V177-F204 HydrophobicContact CB-CG 4.18Å; V177-F204 HydrophobicContact CB-CZ 4.31Å; V177-F204 HydrophobicContact CG1-CB 3.93Å; V177-F204 HydrophobicContact CG1-CD1 4.2Å; V177-F204 HydrophobicContact CG1-CD2 3.74Å; V177-F204 HydrophobicContact CG1-CE2 4.34Å; V177-F204 HydrophobicContact CG1-CG 3.67Å; V177-F204 HydrophobicContact CG2-CD2 3.84Å; V177-F204 HydrophobicContact CG2-CE2 3.71Å; V177-F204 HydrophobicContact CG2-CZ 4.32Å; T200-F204 HydrophobicContact CG2-CD2 3.66Å; T200-F204 HydrophobicContact CG2-CE2 3.79Å; T200-F204 VanDerWaalsContact O-CD2 3.25Å; T200-F204 WeakPolarHBondContact O-CD2 3.27Å; T200-F204 PolarHBondContact O-N 3.12Å; Q201-F204 PolarHBondContact O-N 3.49Å; A202-F204 PolarHBondContact O-N 3.33Å; F204-L207 HydrophobicContact CD1-CD2 3.68Å; F204-L207 HydrophobicContact CE1-CD2 3.86Å; F204-R208 WeakPolarHBondContact O-CB 3.42Å; F204-R208 PolarHBondContact O-N 2.78Å; F204-V218 HydrophobicContact CB-CG1 4.13Å; F204-V218 HydrophobicContact CD1-CG1 4.08Å; F204-V220 HydrophobicContact CB-CG2 3.93Å
205	D	97.9	Very high	98	Very high	56 Å²	56	51.9 Å²	51.9	30%	0.299	28%	0.275	S	S	.	.	H	α-helix	trans	-69.7	-40	169.3	-68.7	-22.7	0	0	0	111.8	Q201 A202 Y203 R208 A209	Q201-D205 PolarHBondContact NE2-OD1 3.02Å; Q201-D205 PolarHBondContact NE2-OD2 3.39Å; Q201-D205 WeakPolarHBondContact O-CB 3.36Å; Q201-D205 PolarHBondContact O-N 3.25Å; A202-D205 PolarHBondContact O-N 2.92Å; Y203-D205 VanDerWaalsContact C-N 3.26Å; Y203-D205 PolarHBondContact O-N 3.44Å; D205-R208 PolarHBondContact O-N 2.82Å; D205-R208 IonicContact OD1-CZ 3.29Å; D205-R208 VanDerWaalsContact OD1-CZ 3.29Å; D205-R208 IonicContact OD1-NH1 2.69Å; D205-R208 PolarHBondContact OD1-NH1 3.01Å; D205-R208 IonicContact OD1-NH2 2.97Å; D205-R208 PolarHBondContact OD1-NH2 3.35Å; D205-A209 PolarHBondContact O-N 3.26Å
206	C	98.6	Very high	98	Very high	69 Å²	69	49.5 Å²	49.5	47%	0.466	26%	0.256	S	S	.	.	H	α-helix	trans	-63.5	-49.8	170.1	-63.8	0	0	0	0	111.7	A202 Y203 R208 A209 E210	A202-C206 PolarHBondContact O-N 3.08Å; A202-C206 VanDerWaalsContact O-N 3.08Å; A202-C206 PolarHBondContact O-SG 3.3Å; Y203-C206 WeakPolarHBondContact O-CB 3.26Å; Y203-C206 PolarHBondContact O-N 3.07Å; C206-R208 PolarHBondContact O-N 3.48Å; C206-A209 PolarHBondContact O-N 3.46Å; C206-E210 WeakPolarHBondContact O-CG 3.44Å; C206-E210 PolarHBondContact O-N 3.22Å
207	L	98.6	Very high	98	Very high	6 Å²	6	51.7 Å²	51.7	3%	0.031	27%	0.266	C	S	.	.	H	α-helix	trans	-54.2	-40.6	178.5	-174.4	74.2	0	0	0	111.3	T160 L164 V175 Y203 F204 A209 E210 M211 V218	T160-L207 HydrophobicContact CG2-CD2 3.78Å; L164-L207 HydrophobicContact CD2-CD1 3.82Å; V175-L207 HydrophobicContact CG2-CD2 4.47Å; Y203-L207 HydrophobicContact CE1-CB 4.46Å; Y203-L207 PolarHBondContact O-N 3.01Å; F204-L207 HydrophobicContact CD1-CD2 3.68Å; F204-L207 HydrophobicContact CE1-CD2 3.86Å; L207-A209 PolarHBondContact O-N 3.27Å; L207-E210 PolarHBondContact O-N 2.96Å; L207-M211 HydrophobicContact CD1-CG 3.6Å; L207-M211 HydrophobicContact CD1-SD 4.43Å; L207-M211 HydrophobicContact CG-CG 3.91Å; L207-M211 WeakPolarHBondContact O-CB 3.36Å; L207-M211 WeakPolarHBondContact O-CG 3.38Å; L207-M211 PolarHBondContact O-N 3.01Å; L207-V218 HydrophobicContact CD2-CG2 4.03Å; L207-V218 HydrophobicContact CG-CG2 4.15Å
208	R	97.8	Very high	98	Very high	43 Å²	43	51.4 Å²	51.4	16%	0.162	27%	0.265	C	S	.	.	H	α-helix	trans	-58.8	-47.3	177.7	-170.2	-177.3	-54.5	103.3	-0.6	112.2	F204 D205 C206 E212 V218 K271	F204-R208 WeakPolarHBondContact O-CB 3.42Å; F204-R208 PolarHBondContact O-N 2.78Å; D205-R208 PolarHBondContact O-N 2.82Å; D205-R208 IonicContact OD1-CZ 3.29Å; D205-R208 VanDerWaalsContact OD1-CZ 3.29Å; D205-R208 IonicContact OD1-NH1 2.69Å; D205-R208 PolarHBondContact OD1-NH1 3.01Å; D205-R208 IonicContact OD1-NH2 2.97Å; D205-R208 PolarHBondContact OD1-NH2 3.35Å; C206-R208 PolarHBondContact O-N 3.48Å; R208-E212 PolarHBondContact O-N 3.47Å; R208-V218 HydrophobicContact CB-CB 3.79Å; R208-V218 HydrophobicContact CB-CG1 4.35Å; R208-V218 HydrophobicContact CB-CG2 4.17Å; R208-V218 HydrophobicContact CG-CB 3.97Å; R208-V218 PolarHBondContact NE-O 3.33Å; R208-K271 PolarHBondContact NH2-O 3.27Å
209	A	98.1	Very high	98	Very high	71 Å²	71	48.8 Å²	48.8	59%	0.587	25%	0.253	S	S	*	.	H	α-helix	trans	-69.3	-44.3	-178.6	0	0	0	0	0	111.3	D205 C206 L207 M211	D205-A209 PolarHBondContact O-N 3.26Å; C206-A209 PolarHBondContact O-N 3.46Å; L207-A209 PolarHBondContact O-N 3.27Å; A209-M211 PolarHBondContact O-N 3.46Å
210	E	98.4	Very high	98	Very high	121 Å²	121	47.5 Å²	47.5	57%	0.565	24%	0.242	S	C	*	.	H	α-helix	trans	-68.3	-34.6	-177.9	-68.5	175.6	-158	0	0	112.7	C206 L207	C206-E210 WeakPolarHBondContact O-CG 3.44Å; C206-E210 PolarHBondContact O-N 3.22Å; L207-E210 PolarHBondContact O-N 2.96Å
211	M	98.2	Very high	98	Very high	20 Å²	20	47.5 Å²	47.5	10%	0.099	24%	0.242	C	C	.	.	H	α-helix	trans	-89.9	-4.4	-174.9	-60.8	-62.6	105.6	0	0	114.6	L164 V168 L207 A209 R213 Y214 N215 I216	L164-M211 HydrophobicContact CD1-CG 4.18Å; L164-M211 HydrophobicContact CD1-SD 3.87Å; L164-M211 HydrophobicContact CD2-CG 4.45Å; L164-M211 HydrophobicContact CD2-SD 3.74Å; L164-M211 HydrophobicContact CG-SD 4.03Å; V168-M211 HydrophobicContact CG2-SD 4.2Å; L207-M211 HydrophobicContact CD1-CG 3.6Å; L207-M211 HydrophobicContact CD1-SD 4.43Å; L207-M211 HydrophobicContact CG-CG 3.91Å; L207-M211 WeakPolarHBondContact O-CB 3.36Å; L207-M211 WeakPolarHBondContact O-CG 3.38Å; L207-M211 PolarHBondContact O-N 3.01Å; A209-M211 PolarHBondContact O-N 3.46Å; M211-R213 VanDerWaalsContact C-N 3.27Å; M211-R213 PolarHBondContact O-N 3.18Å; M211-Y214 HydrophobicContact CE-CD2 4.11Å; M211-Y214 HydrophobicContact CE-CE2 3.98Å; M211-Y214 PolarHBondContact O-N 2.74Å; M211-Y214 HydrophobicContact SD-CD2 3.81Å; M211-Y214 HydrophobicContact SD-CE2 4.22Å; M211-N215 PolarHBondContact O-N 3.08Å; M211-I216 HydrophobicContact CB-CB 3.97Å; M211-I216 HydrophobicContact CB-CD1 4.45Å; M211-I216 HydrophobicContact CB-CG2 4.42Å; M211-I216 PolarHBondContact O-N 3.42Å; M211-I216 HydrophobicContact SD-CD1 4.26Å
212	E	95.9	Very high	98	Very high	132 Å²	132	47 Å²	47	62%	0.617	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-56	-41.1	178.3	-174.2	166.7	-137.2	0	0	111.9	R208 Y214 N215	R208-E212 PolarHBondContact O-N 3.47Å; E212-Y214 PolarHBondContact O-N 3.47Å; E212-Y214 VanDerWaalsContact O-N 3.1Å; E212-N215 PolarHBondContact O-N 2.89Å
213	R	97.2	Very high	97.9	Very high	188 Å²	188	44.5 Å²	44.5	71%	0.709	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-60.6	-19.4	176	63.7	178.5	-89	-177.1	-6.4	114.5	M211	M211-R213 VanDerWaalsContact C-N 3.27Å; M211-R213 PolarHBondContact O-N 3.18Å
214	Y	98	Very high	97.7	Very high	52 Å²	52	43 Å²	43	20%	0.204	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-103.1	8.1	178.9	-55.3	-67.1	0	0	0	112.4	V168 H171 M211 E212 I216	V168-Y214 HydrophobicContact CG1-CD1 3.71Å; V168-Y214 HydrophobicContact CG1-CD2 4.47Å; V168-Y214 HydrophobicContact CG1-CE1 3.78Å; V168-Y214 HydrophobicContact CG1-CG 4.06Å; V168-Y214 HydrophobicContact CG2-CD2 4.05Å; V168-Y214 HydrophobicContact CG2-CE2 4.47Å; V168-Y214 HydrophobicContact CG2-CG 4.11Å; H171-Y214 CarbonylContact C-O 3.18Å; H171-Y214 WeakPolarHBondContact CA-O 3.21Å; M211-Y214 HydrophobicContact CE-CD2 4.11Å; M211-Y214 HydrophobicContact CE-CE2 3.98Å; M211-Y214 PolarHBondContact O-N 2.74Å; M211-Y214 HydrophobicContact SD-CD2 3.81Å; M211-Y214 HydrophobicContact SD-CE2 4.22Å; E212-Y214 PolarHBondContact O-N 3.47Å; E212-Y214 VanDerWaalsContact O-N 3.1Å; Y214-I216 PolarHBondContact O-N 3.09Å
215	N	96.8	Very high	97.4	Very high	73 Å²	73	45.7 Å²	45.7	39%	0.39	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	34.3	-177	-179	49.7	0	0	0	112.9	H171 M211 E212	H171-N215 WeakPolarHBondContact O-CB 3.42Å; H171-N215 PolarHBondContact O-ND2 2.95Å; M211-N215 PolarHBondContact O-N 3.08Å; E212-N215 PolarHBondContact O-N 2.89Å
216	I	98.3	Very high	97.2	Very high	2 Å²	2	44 Å²	44	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	121.3	173.8	-57.3	168.3	0	0	0	107.9	L164 M167 V168 G173 V175 M211 Y214	L164-I216 HydrophobicContact CD1-CD1 3.79Å; L164-I216 HydrophobicContact CD1-CG2 4.44Å; M167-I216 HydrophobicContact CB-CD1 3.69Å; M167-I216 HydrophobicContact CB-CG1 4.09Å; M167-I216 HydrophobicContact SD-CG2 4.32Å; V168-I216 HydrophobicContact CB-CD1 4.42Å; V168-I216 HydrophobicContact CG2-CD1 3.59Å; G173-I216 CarbonylContact O-C 3.53Å; G173-I216 WeakPolarHBondContact O-CA 3.31Å; V175-I216 HydrophobicContact CG2-CG2 4.5Å; M211-I216 HydrophobicContact CB-CB 3.97Å; M211-I216 HydrophobicContact CB-CD1 4.45Å; M211-I216 HydrophobicContact CB-CG2 4.42Å; M211-I216 PolarHBondContact O-N 3.42Å; M211-I216 HydrophobicContact SD-CD1 4.26Å; Y214-I216 PolarHBondContact O-N 3.09Å
217	Q	98.1	Very high	97	Very high	45 Å²	45	46.8 Å²	46.8	21%	0.21	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	146.2	-178.5	-56.7	-57.8	-45.9	0	0	110.5	G173 H174 V175 R269	G173-Q217 PolarHBondContact O-N 3.05Å; H174-Q217 CarbonylContact C-O 3.4Å; H174-Q217 WeakPolarHBondContact CA-O 3.41Å; H174-Q217 HydrophobicContact CB-CB 4.35Å; H174-Q217 PolarHBondContact CD2-O 3.29Å; V175-Q217 PolarHBondContact N-O 2.87Å; Q217-R269 HydrophobicContact CG-CB 4.18Å; Q217-R269 HydrophobicContact CG-CG 4.07Å
218	V	98.6	Very high	96.7	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.018	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	118.6	174.2	-175.8	0	0	0	0	110.2	V175 F204 L207 R208	V175-V218 HydrophobicContact CB-CG2 4.43Å; V175-V218 CarbonylContact O-C 3.34Å; V175-V218 VanDerWaalsContact O-CA 3.25Å; V175-V218 WeakPolarHBondContact O-CA 3.42Å; F204-V218 HydrophobicContact CB-CG1 4.13Å; F204-V218 HydrophobicContact CD1-CG1 4.08Å; L207-V218 HydrophobicContact CD2-CG2 4.03Å; L207-V218 HydrophobicContact CG-CG2 4.15Å; R208-V218 HydrophobicContact CB-CB 3.79Å; R208-V218 HydrophobicContact CB-CG1 4.35Å; R208-V218 HydrophobicContact CB-CG2 4.17Å; R208-V218 HydrophobicContact CG-CB 3.97Å; R208-V218 PolarHBondContact NE-O 3.33Å
219	T	98.6	Very high	96.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	125.8	175.6	-61.9	0	0	0	0	110.1	H174 V175 V176 V177 V221 A265 S270 K271 V273	H174-T219 PolarHBondContact CE1-OG1 2.99Å; H174-T219 PolarHBondContact NE2-OG1 3.42Å; V175-T219 PolarHBondContact O-N 3.36Å; V176-T219 CarbonylContact C-O 3.59Å; V176-T219 WeakPolarHBondContact CA-O 3.27Å; V176-T219 HydrophobicContact CG1-CG2 4.36Å; V177-T219 PolarHBondContact N-O 3.11Å; T219-V221 HydrophobicContact CG2-CG2 3.83Å; T219-A265 HydrophobicContact CG2-CB 4.1Å; T219-S270 WeakPolarHBondContact CA-O 3.16Å; T219-S270 WeakPolarHBondContact CB-O 3.41Å; T219-S270 VanDerWaalsContact CG2-O 3.26Å; T219-S270 WeakPolarHBondContact CG2-O 3.19Å; T219-S270 PolarHBondContact OG1-O 2.96Å; T219-K271 WeakPolarHBondContact CA-O 3.39Å; T219-V273 HydrophobicContact CG2-CG2 3.97Å
220	V	98.4	Very high	95.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	120.5	167.7	-178.5	0	0	0	0	109.1	V177 F204 K271 V273	V177-V220 HydrophobicContact CG1-CB 4.03Å; V177-V220 HydrophobicContact CG1-CG1 4.03Å; V177-V220 HydrophobicContact CG1-CG2 3.54Å; F204-V220 HydrophobicContact CB-CG2 3.93Å; V220-K271 PolarHBondContact N-O 3.26Å; V220-K271 VanDerWaalsContact N-O 3.11Å; V220-V273 PolarHBondContact O-N 3.32Å
221	V	98.3	Very high	95.4	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	119.8	176.3	-170.9	0	0	0	0	108.5	V176 V177 I178 S179 T219 P223 V262 V273 L275	V176-V221 HydrophobicContact CG1-CG2 4.04Å; V177-V221 PolarHBondContact O-N 3.05Å; I178-V221 HydrophobicContact CD1-CB 3.95Å; I178-V221 HydrophobicContact CD1-CG1 4.49Å; I178-V221 HydrophobicContact CD1-CG2 4.1Å; S179-V221 WeakPolarHBondContact CA-O 3.25Å; S179-V221 PolarHBondContact N-O 3.14Å; T219-V221 HydrophobicContact CG2-CG2 3.83Å; V221-P223 VanDerWaalsContact C-CD 3.43Å; V221-P223 WeakPolarHBondContact O-CD 3.26Å; V221-V262 HydrophobicContact CG2-CG2 4.41Å; V221-V273 CarbonylContact C-O 3.57Å; V221-V273 WeakPolarHBondContact CA-O 3.36Å; V221-V273 HydrophobicContact CG1-CB 4.25Å; V221-V273 HydrophobicContact CG1-CG1 4.37Å; V221-V273 HydrophobicContact CG2-CB 4.28Å; V221-L275 HydrophobicContact CG1-CD1 4.01Å
222	S	97.7	Very high	95	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	80.8	-179.8	-60	0	0	0	0	110	K184 V273 L275	K184-S222 WeakPolarHBondContact CE-OG 3.21Å; S222-V273 PolarHBondContact N-O 2.93Å; S222-L275 PolarHBondContact O-N 3.33Å
223	P	96.3	Very high	94.8	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.032	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	151.2	175.5	31.3	-34.7	0	0	0	112	I178 S180 V181 V221 I226 L275	I178-P223 HydrophobicContact CG2-CG 4.22Å; S180-P223 CarbonylContact C-O 3.24Å; S180-P223 WeakPolarHBondContact CA-O 3.26Å; S180-P223 PolarHBondContact OG-O 3.23Å; V181-P223 PolarHBondContact N-O 2.86Å; V221-P223 VanDerWaalsContact C-CD 3.43Å; V221-P223 WeakPolarHBondContact O-CD 3.26Å; P223-I226 HydrophobicContact CB-CD1 3.76Å; P223-I226 HydrophobicContact CB-CG1 4.01Å; P223-I226 HydrophobicContact CG-CD1 3.87Å; P223-I226 HydrophobicContact CG-CG1 4.5Å; P223-L275 CarbonylContact C-O 3.45Å; P223-L275 WeakPolarHBondContact CA-O 3.38Å; P223-L275 HydrophobicContact CB-CB 4.46Å
224	G	94.1	Very high	94.6	Very high	15 Å²	15	32.3 Å²	32.3	16%	0.155	16%	0.158	C	C	.	.			trans	-72	-140.5	159.1	0	0	0	0	0	110.8	L275	G224-L275 PolarHBondContact N-O 3.14Å
225	Y	92.6	Very high	94.5	Very high	58 Å²	58	31 Å²	31	23%	0.227	16%	0.156	C	C	.	.			trans	-75.7	135.6	176.2	-62.3	-78.9	0	0	0	111.4	T248 G252 R253	Y225-T248 WeakPolarHBondContact CB-O 3.29Å; Y225-T248 WeakPolarHBondContact CE1-OG1 3.43Å; Y225-T248 HydrophobicContact CE2-CG2 4.34Å; Y225-T248 VanDerWaalsContact CG-O 3.29Å; Y225-G252 CarbonylContact O-C 3.51Å; Y225-G252 VanDerWaalsContact O-CA 3.26Å; Y225-G252 WeakPolarHBondContact O-CA 3.5Å; Y225-R253 PolarHBondContact O-N 3.29Å
226	I	93.7	Very high	94.5	Very high	22 Å²	22	28.7 Å²	28.7	11%	0.113	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-121.2	132.5	175.3	-47.1	177.8	0	0	0	107.6	L48 P223 T228 T249 R253 P255 V258	L48-I226 HydrophobicContact CD2-CD1 3.97Å; P223-I226 HydrophobicContact CB-CD1 3.76Å; P223-I226 HydrophobicContact CB-CG1 4.01Å; P223-I226 HydrophobicContact CG-CD1 3.87Å; P223-I226 HydrophobicContact CG-CG1 4.5Å; I226-T228 VanDerWaalsContact C-N 3.29Å; I226-T228 HydrophobicContact CB-CG2 4.24Å; I226-T228 HydrophobicContact CG2-CG2 3.79Å; I226-T228 PolarHBondContact O-N 2.85Å; I226-T228 PolarHBondContact O-OG1 3.17Å; I226-T249 WeakPolarHBondContact O-CG2 3.38Å; I226-R253 WeakPolarHBondContact CA-O 3.43Å; I226-R253 WeakPolarHBondContact CG2-O 3.39Å; I226-P255 HydrophobicContact CG2-CB 4.03Å; I226-P255 HydrophobicContact CG2-CG 3.88Å; I226-V258 HydrophobicContact CD1-CB 4.36Å; I226-V258 HydrophobicContact CD1-CG1 3.95Å; I226-V258 HydrophobicContact CD1-CG2 4.08Å; I226-V258 HydrophobicContact CG1-CG2 4.12Å; I226-V258 HydrophobicContact CG2-CG2 4.17Å
227	R	93.4	Very high	94.3	Very high	126 Å²	126	29.7 Å²	29.7	48%	0.475	15%	0.151	S	C	.	.	S	Bend	trans	-70.2	83.2	-178.3	-167.4	168.4	74.4	160.8	2.2	111.5	T249 A250 R253 E254 P255	R227-T249 VanDerWaalsContact CA-O 3.29Å; R227-T249 WeakPolarHBondContact CA-O 3.08Å; R227-A250 WeakPolarHBondContact CD-O 3.04Å; R227-R253 PolarHBondContact N-O 2.81Å; R227-E254 IonicContact CZ-OE1 2.69Å; R227-E254 IonicContact CZ-OE2 2.9Å; R227-E254 IonicContact NE-OE1 2.79Å; R227-E254 PolarHBondContact NE-OE1 2.88Å; R227-E254 IonicContact NE-OE2 3.14Å; R227-E254 PolarHBondContact NE-OE2 3.5Å; R227-E254 IonicContact NH1-OE1 3.68Å; R227-E254 IonicContact NH2-OE1 3.78Å; R227-E254 PolarHBondContact NH2-OE1 2.64Å; R227-E254 IonicContact NH2-OE2 3.45Å; R227-E254 PolarHBondContact NH2-OE2 3.15Å; R227-P255 WeakPolarHBondContact O-CD 3.45Å; R227-P255 WeakPolarHBondContact O-CG 3.17Å
228	T	92	Very high	94.2	Very high	20 Å²	20	32.1 Å²	32.1	12%	0.123	17%	0.166	C	C	.	.	S	Bend	trans	-139.9	171.2	-175.7	59.9	0	0	0	0	110.4	I226 L230 T249 P255	I226-T228 VanDerWaalsContact C-N 3.29Å; I226-T228 HydrophobicContact CB-CG2 4.24Å; I226-T228 HydrophobicContact CG2-CG2 3.79Å; I226-T228 PolarHBondContact O-N 2.85Å; I226-T228 PolarHBondContact O-OG1 3.17Å; T228-L230 PolarHBondContact O-N 2.82Å; T228-L230 WeakPolarHBondContact OG1-CB 3.48Å; T228-L230 PolarHBondContact OG1-N 2.9Å; T228-T249 WeakPolarHBondContact O-CG2 3.37Å; T228-P255 HydrophobicContact CG2-CB 4.16Å; T228-P255 HydrophobicContact CG2-CG 3.6Å
229	N	89.6	Confident	94	Very high	83 Å²	83	33.6 Å²	33.6	44%	0.444	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	15.6	173.6	-61.2	-12	0	0	0	113.4	S231 L232 N233	N229-S231 VanDerWaalsContact C-N 3.33Å; N229-S231 PolarHBondContact O-N 3.48Å; N229-L232 HydrophobicContact CB-CB 4.33Å; N229-L232 HydrophobicContact CB-CD1 4.11Å; N229-L232 PolarHBondContact O-N 3.08Å; N229-N233 WeakPolarHBondContact O-CB 3.27Å; N229-N233 PolarHBondContact O-N 3Å; N229-N233 PolarHBondContact O-ND2 3.29Å
230	L	89.6	Confident	93.8	Very high	60 Å²	60	36.3 Å²	36.3	31%	0.314	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-38	-177	-177.2	65.9	0	0	0	112.5	T228 A234	T228-L230 PolarHBondContact O-N 2.82Å; T228-L230 WeakPolarHBondContact OG1-CB 3.48Å; T228-L230 PolarHBondContact OG1-N 2.9Å; L230-A234 PolarHBondContact O-N 2.84Å
231	S	87.6	Confident	93.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-42.8	175.2	71.2	0	0	0	0	111.6	N229 N233 A234 Y242 V244 L245 D246	N229-S231 VanDerWaalsContact C-N 3.33Å; N229-S231 PolarHBondContact O-N 3.48Å; S231-N233 PolarHBondContact O-N 3.25Å; S231-A234 WeakPolarHBondContact O-CB 3.3Å; S231-A234 PolarHBondContact O-N 3.49Å; S231-Y242 WeakPolarHBondContact O-CD1 3.47Å; S231-V244 CarbonylContact C-O 3.59Å; S231-V244 VanDerWaalsContact C-O 3.3Å; S231-V244 WeakPolarHBondContact CB-O 3.15Å; S231-V244 PolarHBondContact OG-O 3.44Å; S231-L245 VanDerWaalsContact OG-CA 3.3Å; S231-L245 WeakPolarHBondContact OG-CA 3.04Å; S231-D246 PolarHBondContact OG-N 3Å; S231-D246 VanDerWaalsContact OG-N 3.14Å
232	L	90.4	Very high	93.3	Very high	47 Å²	47	46.3 Å²	46.3	25%	0.246	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-38.4	175.9	-68.5	169.5	0	0	0	111.7	N229 K241 G243 V244 L245	N229-L232 HydrophobicContact CB-CB 4.33Å; N229-L232 HydrophobicContact CB-CD1 4.11Å; N229-L232 PolarHBondContact O-N 3.08Å; L232-K241 WeakPolarHBondContact O-CE 3.37Å; L232-K241 VanDerWaalsContact O-CG 3.24Å; L232-K241 WeakPolarHBondContact O-CG 3.5Å; L232-G243 VanDerWaalsContact CD2-O 3.26Å; L232-G243 WeakPolarHBondContact CD2-O 3.26Å; L232-G243 PolarHBondContact O-N 3.24Å; L232-G243 VanDerWaalsContact O-N 3.09Å; L232-V244 PolarHBondContact N-O 3.31Å; L232-L245 HydrophobicContact CD2-CB 4.06Å; L232-L245 HydrophobicContact CG-CB 4.22Å; L232-L245 HydrophobicContact CG-CD1 4.47Å
233	N	92.1	Very high	93	Very high	67 Å²	67	48.5 Å²	48.5	36%	0.358	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	10.1	-179.9	-62.1	-29.6	0	0	0	114.2	N229 S231 K241	N229-N233 WeakPolarHBondContact O-CB 3.27Å; N229-N233 PolarHBondContact O-N 3Å; N229-N233 PolarHBondContact O-ND2 3.29Å; S231-N233 PolarHBondContact O-N 3.25Å; N233-K241 WeakPolarHBondContact OD1-CE 3.46Å; N233-K241 PolarHBondContact OD1-NZ 2.9Å
234	A	93.1	Very high	92.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.284	C	S	.	.			trans	-69.3	154.2	176.1	0	0	0	0	0	111.3	S132 L230 S231 K241 Y242	S132-A234 CarbonylContact O-C 3.59Å; S132-A234 WeakPolarHBondContact O-CA 3.45Å; S132-A234 WeakPolarHBondContact O-CB 3.4Å; L230-A234 PolarHBondContact O-N 2.84Å; S231-A234 WeakPolarHBondContact O-CB 3.3Å; S231-A234 PolarHBondContact O-N 3.49Å; A234-K241 CarbonylContact O-C 3.56Å; A234-Y242 WeakPolarHBondContact O-CB 3.43Å; A234-Y242 PolarHBondContact O-N 3.38Å
235	V	95.5	Very high	92.4	Very high	26 Å²	26	54.9 Å²	54.9	16%	0.158	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-93.6	146.9	171.7	-65.5	0	0	0	0	110.8	I131 S132 H133 R134 V144 V148 S240	I131-V235 HydrophobicContact CD1-CG1 4.44Å; I131-V235 HydrophobicContact CD1-CG2 4.35Å; S132-V235 WeakPolarHBondContact O-CG2 3.47Å; S132-V235 PolarHBondContact O-N 3.16Å; H133-V235 CarbonylContact C-O 3.54Å; H133-V235 VanDerWaalsContact CA-O 3.31Å; H133-V235 WeakPolarHBondContact CA-O 3.02Å; H133-V235 HydrophobicContact CB-CG2 4.37Å; H133-V235 PolarHBondContact CD2-O 2.96Å; R134-V235 PolarHBondContact N-O 3.42Å; V144-V235 HydrophobicContact CG1-CG2 3.86Å; V148-V235 HydrophobicContact CG2-CG2 3.78Å; V235-S240 CarbonylContact C-O 3.01Å; V235-S240 WeakPolarHBondContact CA-O 3.34Å
236	T	96.2	Very high	92.1	Very high	24 Å²	24	53 Å²	53	15%	0.147	29%	0.291	C	S	.	.			trans	-97.9	-172.1	176.1	63.2	0	0	0	0	111.3	R134 D238 G239 S240 Y242	R134-T236 VanDerWaalsContact O-CA 3.31Å; R134-T236 WeakPolarHBondContact O-CA 3.41Å; T236-D238 PolarHBondContact O-N 2.92Å; T236-D238 PolarHBondContact OG1-OD1 3.27Å; T236-G239 PolarHBondContact O-N 2.78Å; T236-G239 VanDerWaalsContact O-N 3.15Å; T236-S240 PolarHBondContact N-O 2.94Å; T236-S240 PolarHBondContact OG1-O 3.32Å; T236-S240 PolarHBondContact OG1-OG 3.37Å; T236-Y242 HydrophobicContact CG2-CD2 3.93Å; T236-Y242 HydrophobicContact CG2-CG 4.41Å
237	C	95.3	Very high	91.8	Very high	22 Å²	22	59.7 Å²	59.7	15%	0.149	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-34.7	-176.2	-61.9	0	0	0	0	114.2	G135 N136 E139 H141 V144	G135-C237 WeakPolarHBondContact CA-SG 3.37Å; N136-C237 PolarHBondContact N-SG 3.03Å; N136-C237 VanDerWaalsContact N-SG 3.45Å; E139-C237 HydrophobicContact CB-CB 3.94Å; H141-C237 PolarHBondContact N-O 3.5Å; V144-C237 WeakPolarHBondContact CG2-O 3.48Å
238	D	95.1	Very high	91.5	Very high	97 Å²	97	56.2 Å²	56.2	52%	0.519	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-2.5	-176.8	67.5	-7.8	0	0	0	113.6	T236 S240	T236-D238 PolarHBondContact O-N 2.92Å; T236-D238 PolarHBondContact OG1-OD1 3.27Å; D238-S240 WeakPolarHBondContact OD1-CB 3.38Å; D238-S240 PolarHBondContact OD1-N 3.08Å; D238-S240 PolarHBondContact OD1-OG 2.89Å
239	G	93.9	Very high	91.1	Very high	34 Å²	34	55.5 Å²	55.5	35%	0.351	31%	0.31	S	S	.	.	S	Bend	trans	94	-3.7	-177.5	0	0	0	0	0	114.2	V144 T236	V144-G239 VanDerWaalsContact CG2-N 3.29Å; T236-G239 PolarHBondContact O-N 2.78Å; T236-G239 VanDerWaalsContact O-N 3.15Å
240	S	94.9	Very high	90.8	Very high	57 Å²	57	53.3 Å²	53.3	40%	0.399	30%	0.303	S	S	.	.			trans	-67.2	161.3	173.3	65.5	0	0	0	0	111.8	V235 T236 D238	V235-S240 CarbonylContact C-O 3.01Å; V235-S240 WeakPolarHBondContact CA-O 3.34Å; T236-S240 PolarHBondContact N-O 2.94Å; T236-S240 PolarHBondContact OG1-O 3.32Å; T236-S240 PolarHBondContact OG1-OG 3.37Å; D238-S240 WeakPolarHBondContact OD1-CB 3.38Å; D238-S240 PolarHBondContact OD1-N 3.08Å; D238-S240 PolarHBondContact OD1-OG 2.89Å
241	K	94.2	Very high	90.7	Very high	136 Å²	136	57.8 Å²	57.8	59%	0.591	33%	0.327	S	S	*	.	B	Isolated β-bridge	trans	-76.5	130.1	-179	-173.1	177.1	-178.6	174.2	0	110.4	L232 N233 A234 G243	L232-K241 WeakPolarHBondContact O-CE 3.37Å; L232-K241 VanDerWaalsContact O-CG 3.24Å; L232-K241 WeakPolarHBondContact O-CG 3.5Å; N233-K241 WeakPolarHBondContact OD1-CE 3.46Å; N233-K241 PolarHBondContact OD1-NZ 2.9Å; A234-K241 CarbonylContact O-C 3.56Å; K241-G243 PolarHBondContact O-N 2.84Å
242	Y	92.8	Very high	90.9	Very high	74 Å²	74	58.3 Å²	58.3	29%	0.29	33%	0.333	S	S	.	.			trans	-63.2	-39.2	-179.8	-177.8	-124.4	0	0	0	113	R134 S231 A234 T236 V244 D246	R134-Y242 HydrophobicContact CB-CD1 4.44Å; R134-Y242 HydrophobicContact CB-CD2 3.96Å; R134-Y242 HydrophobicContact CB-CE2 4.12Å; R134-Y242 HydrophobicContact CB-CG 4.14Å; R134-Y242 HydrophobicContact CG-CD1 3.99Å; R134-Y242 HydrophobicContact CG-CD2 4.32Å; R134-Y242 HydrophobicContact CG-CE1 3.9Å; R134-Y242 HydrophobicContact CG-CE2 4.28Å; R134-Y242 HydrophobicContact CG-CG 4.19Å; S231-Y242 WeakPolarHBondContact O-CD1 3.47Å; A234-Y242 WeakPolarHBondContact O-CB 3.43Å; A234-Y242 PolarHBondContact O-N 3.38Å; T236-Y242 HydrophobicContact CG2-CD2 3.93Å; T236-Y242 HydrophobicContact CG2-CG 4.41Å; Y242-V244 HydrophobicContact CD1-CB 4.01Å; Y242-V244 HydrophobicContact CE1-CB 3.56Å; Y242-V244 HydrophobicContact CE1-CG1 4.22Å; Y242-V244 HydrophobicContact CE1-CG2 4.49Å; Y242-V244 HydrophobicContact CE2-CB 4.43Å; Y242-V244 PolarHBondContact O-N 3.46Å; Y242-D246 VanDerWaalsContact CE1-OD1 3.27Å; Y242-D246 WeakPolarHBondContact CE1-OD1 3.39Å
243	G	89.9	Confident	91	Very high	45 Å²	45	62.4 Å²	62.4	46%	0.464	35%	0.345	S	S	.	.			trans	71.6	-1.2	169.5	0	0	0	0	0	116.3	L232 K241	L232-G243 VanDerWaalsContact CD2-O 3.26Å; L232-G243 WeakPolarHBondContact CD2-O 3.26Å; L232-G243 PolarHBondContact O-N 3.24Å; L232-G243 VanDerWaalsContact O-N 3.09Å; K241-G243 PolarHBondContact O-N 2.84Å
244	V	89.4	Confident	91.2	Very high	74 Å²	74	62.6 Å²	62.6	45%	0.448	34%	0.344	S	S	.	.			trans	-111.3	137.3	-177.1	178.5	0	0	0	0	112	S231 L232 Y242 D246	S231-V244 CarbonylContact C-O 3.59Å; S231-V244 VanDerWaalsContact C-O 3.3Å; S231-V244 WeakPolarHBondContact CB-O 3.15Å; S231-V244 PolarHBondContact OG-O 3.44Å; L232-V244 PolarHBondContact N-O 3.31Å; Y242-V244 HydrophobicContact CD1-CB 4.01Å; Y242-V244 HydrophobicContact CE1-CB 3.56Å; Y242-V244 HydrophobicContact CE1-CG1 4.22Å; Y242-V244 HydrophobicContact CE1-CG2 4.49Å; Y242-V244 HydrophobicContact CE2-CB 4.43Å; Y242-V244 PolarHBondContact O-N 3.46Å; V244-D246 PolarHBondContact O-N 3.32Å
245	L	88.5	Confident	91.3	Very high	80 Å²	80	63.3 Å²	63.3	42%	0.419	35%	0.348	S	S	.	.			trans	-84.1	102.5	170.6	-174.2	62.8	0	0	0	109.2	S231 L232 E247 T249 A250	S231-L245 VanDerWaalsContact OG-CA 3.3Å; S231-L245 WeakPolarHBondContact OG-CA 3.04Å; L232-L245 HydrophobicContact CD2-CB 4.06Å; L232-L245 HydrophobicContact CG-CB 4.22Å; L232-L245 HydrophobicContact CG-CD1 4.47Å; L245-E247 PolarHBondContact O-N 3.46Å; L245-T249 HydrophobicContact CD1-CG2 4.05Å; L245-A250 HydrophobicContact CD2-CB 4.01Å; L245-A250 HydrophobicContact CG-CB 4.16Å
246	D	86.7	Confident	91.3	Very high	20 Å²	20	68 Å²	68	11%	0.107	37%	0.366	C	S	.	.			trans	-58.3	135.3	177.2	-64.4	-29.1	0	0	0	109.2	R134 R190 S231 Y242 V244 T248 T249 A250	R134-D246 IonicContact CZ-OD2 2.67Å; R134-D246 IonicContact NE-OD2 2.88Å; R134-D246 PolarHBondContact NE-OD2 2.79Å; R134-D246 VanDerWaalsContact NE-OD2 3.14Å; R134-D246 IonicContact NH2-OD2 2.75Å; R134-D246 PolarHBondContact NH2-OD2 3.22Å; R190-D246 IonicContact CZ-OD2 3.17Å; R190-D246 IonicContact NH1-OD2 3.7Å; R190-D246 IonicContact NH2-OD2 3.62Å; R190-D246 PolarHBondContact NH2-OD2 2.88Å; S231-D246 PolarHBondContact OG-N 3Å; S231-D246 VanDerWaalsContact OG-N 3.14Å; Y242-D246 VanDerWaalsContact CE1-OD1 3.27Å; Y242-D246 WeakPolarHBondContact CE1-OD1 3.39Å; V244-D246 PolarHBondContact O-N 3.32Å; D246-T248 PolarHBondContact O-N 2.93Å; D246-T249 CarbonylContact O-C 3.3Å; D246-T249 WeakPolarHBondContact O-CA 3.37Å; D246-T249 WeakPolarHBondContact O-CB 3.1Å; D246-T249 PolarHBondContact O-N 2.96Å; D246-A250 PolarHBondContact O-N 3.39Å
247	E	87.9	Confident	91.4	Very high	161 Å²	161	70.2 Å²	70.2	75%	0.752	38%	0.378	S	S	*	.	H	α-helix	trans	-53.2	-41.1	175.3	-66.9	-177.4	165.7	0	0	112	L245 T249 A250 L251	L245-E247 PolarHBondContact O-N 3.46Å; E247-T249 PolarHBondContact O-N 3.4Å; E247-A250 PolarHBondContact O-N 3.11Å; E247-A250 VanDerWaalsContact O-N 3.15Å; E247-L251 WeakPolarHBondContact O-CB 3.45Å; E247-L251 WeakPolarHBondContact O-CG 3.43Å; E247-L251 PolarHBondContact O-N 3.21Å
248	T	86.1	Confident	91.5	Very high	54 Å²	54	69.3 Å²	69.3	33%	0.331	37%	0.371	S	S	.	.	H	α-helix	trans	-61	-31.6	175.7	54.2	0	0	0	0	113.2	Y225 D246 G252	Y225-T248 WeakPolarHBondContact CB-O 3.29Å; Y225-T248 WeakPolarHBondContact CE1-OG1 3.43Å; Y225-T248 HydrophobicContact CE2-CG2 4.34Å; Y225-T248 VanDerWaalsContact CG-O 3.29Å; D246-T248 PolarHBondContact O-N 2.93Å; T248-G252 PolarHBondContact O-N 3.43Å
249	T	83.4	Confident	91.6	Very high	5 Å²	5	64.7 Å²	64.7	3%	0.031	35%	0.346	C	S	.	.	H	α-helix	trans	-78.6	-39.5	174.6	-58.5	0	0	0	0	110.6	I226 R227 T228 L245 D246 E247 L251 G252	I226-T249 WeakPolarHBondContact O-CG2 3.38Å; R227-T249 VanDerWaalsContact CA-O 3.29Å; R227-T249 WeakPolarHBondContact CA-O 3.08Å; T228-T249 WeakPolarHBondContact O-CG2 3.37Å; L245-T249 HydrophobicContact CD1-CG2 4.05Å; D246-T249 CarbonylContact O-C 3.3Å; D246-T249 WeakPolarHBondContact O-CA 3.37Å; D246-T249 WeakPolarHBondContact O-CB 3.1Å; D246-T249 PolarHBondContact O-N 2.96Å; E247-T249 PolarHBondContact O-N 3.4Å; T249-L251 VanDerWaalsContact C-N 3.31Å; T249-L251 PolarHBondContact O-N 3.05Å; T249-G252 PolarHBondContact O-N 2.83Å
250	A	83.8	Confident	91.8	Very high	36 Å²	36	66.4 Å²	66.4	30%	0.298	35%	0.345	S	S	.	.	H	α-helix	trans	-62.6	-35.5	175.4	0	0	0	0	0	113	R227 L245 D246 E247 G252	R227-A250 WeakPolarHBondContact CD-O 3.04Å; L245-A250 HydrophobicContact CD2-CB 4.01Å; L245-A250 HydrophobicContact CG-CB 4.16Å; D246-A250 PolarHBondContact O-N 3.39Å; E247-A250 PolarHBondContact O-N 3.11Å; E247-A250 VanDerWaalsContact O-N 3.15Å; A250-G252 VanDerWaalsContact C-N 3.27Å
251	L	88.5	Confident	91.9	Very high	154 Å²	154	65.6 Å²	65.6	81%	0.806	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	8	174.4	-62.7	173.9	0	0	0	113.2	E247 T249	E247-L251 WeakPolarHBondContact O-CB 3.45Å; E247-L251 WeakPolarHBondContact O-CG 3.43Å; E247-L251 PolarHBondContact O-N 3.21Å; T249-L251 VanDerWaalsContact C-N 3.31Å; T249-L251 PolarHBondContact O-N 3.05Å
252	G	90.4	Very high	92.1	Very high	12 Å²	12	59.1 Å²	59.1	12%	0.124	31%	0.31	C	S	.	.	S	Bend	trans	-67.2	169.2	177.5	0	0	0	0	0	112.8	Y225 T248 T249 A250	Y225-G252 CarbonylContact O-C 3.51Å; Y225-G252 VanDerWaalsContact O-CA 3.26Å; Y225-G252 WeakPolarHBondContact O-CA 3.5Å; T248-G252 PolarHBondContact O-N 3.43Å; T249-G252 PolarHBondContact O-N 2.83Å; A250-G252 VanDerWaalsContact C-N 3.27Å
253	R	93.6	Very high	92.3	Very high	132 Å²	132	56.7 Å²	56.7	50%	0.498	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-65.5	149.1	174.6	-177.2	179	-82.1	-87.9	5.6	110.6	Y225 I226 R227 D257 V258	Y225-R253 PolarHBondContact O-N 3.29Å; I226-R253 WeakPolarHBondContact CA-O 3.43Å; I226-R253 WeakPolarHBondContact CG2-O 3.39Å; R227-R253 PolarHBondContact N-O 2.81Å; R253-D257 HydrophobicContact CG-CB 3.91Å; R253-D257 IonicContact NH1-OD2 3.93Å; R253-V258 HydrophobicContact CB-CG2 4.25Å; R253-V258 HydrophobicContact CG-CG2 3.97Å
254	E	95.8	Very high	92.6	Very high	72 Å²	72	60.5 Å²	60.5	34%	0.336	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-58.2	135.3	172.9	-66.6	-50.5	119.6	0	0	111.4	R227 K256 D257 V258	R227-E254 IonicContact CZ-OE1 2.69Å; R227-E254 IonicContact CZ-OE2 2.9Å; R227-E254 IonicContact NE-OE1 2.79Å; R227-E254 PolarHBondContact NE-OE1 2.88Å; R227-E254 IonicContact NE-OE2 3.14Å; R227-E254 PolarHBondContact NE-OE2 3.5Å; R227-E254 IonicContact NH1-OE1 3.68Å; R227-E254 IonicContact NH2-OE1 3.78Å; R227-E254 PolarHBondContact NH2-OE1 2.64Å; R227-E254 IonicContact NH2-OE2 3.45Å; R227-E254 PolarHBondContact NH2-OE2 3.15Å; E254-K256 PolarHBondContact O-N 3.14Å; E254-D257 HydrophobicContact CB-CB 4.46Å; E254-D257 PolarHBondContact O-N 2.67Å; E254-D257 VanDerWaalsContact O-N 3.12Å; E254-V258 PolarHBondContact O-N 3.46Å
255	P	95.7	Very high	93	Very high	15 Å²	15	57.1 Å²	57.1	10%	0.097	29%	0.285	C	S	.	.	H	α-helix	trans	-59	-34.5	177.8	-21.1	31.1	0	0	0	112.8	L48 E51 I226 R227 T228 D257 V258 A259	L48-P255 WeakPolarHBondContact CD1-O 3.41Å; E51-P255 HydrophobicContact CB-CB 4.39Å; E51-P255 HydrophobicContact CG-CB 3.79Å; I226-P255 HydrophobicContact CG2-CB 4.03Å; I226-P255 HydrophobicContact CG2-CG 3.88Å; R227-P255 WeakPolarHBondContact O-CD 3.45Å; R227-P255 WeakPolarHBondContact O-CG 3.17Å; T228-P255 HydrophobicContact CG2-CB 4.16Å; T228-P255 HydrophobicContact CG2-CG 3.6Å; P255-D257 VanDerWaalsContact C-N 3.35Å; P255-D257 PolarHBondContact O-N 3.01Å; P255-V258 PolarHBondContact O-N 3.36Å; P255-A259 WeakPolarHBondContact O-CB 3.38Å; P255-A259 PolarHBondContact O-N 2.99Å
256	K	96.3	Very high	93.4	Very high	124 Å²	124	53.5 Å²	53.5	54%	0.539	27%	0.267	S	S	.	.	H	α-helix	trans	-59	-42.5	175.4	-179.2	-178.7	175.9	-179	0	112.5	E254 V258 A259 Q260	E254-K256 PolarHBondContact O-N 3.14Å; K256-V258 VanDerWaalsContact C-N 3.35Å; K256-A259 PolarHBondContact O-N 2.94Å; K256-Q260 WeakPolarHBondContact O-CG 3.44Å; K256-Q260 PolarHBondContact O-N 3.46Å
257	D	96.4	Very high	93.8	Very high	71 Å²	71	55.8 Å²	55.8	38%	0.38	28%	0.276	S	S	.	.	H	α-helix	trans	-66.6	-40.7	179	-68.4	-19.1	0	0	0	111.2	R253 E254 P255 Q260 V261	R253-D257 HydrophobicContact CG-CB 3.91Å; R253-D257 IonicContact NH1-OD2 3.93Å; E254-D257 HydrophobicContact CB-CB 4.46Å; E254-D257 PolarHBondContact O-N 2.67Å; E254-D257 VanDerWaalsContact O-N 3.12Å; P255-D257 VanDerWaalsContact C-N 3.35Å; P255-D257 PolarHBondContact O-N 3.01Å; D257-Q260 PolarHBondContact O-N 3.39Å; D257-V261 WeakPolarHBondContact O-CG2 3.22Å; D257-V261 PolarHBondContact O-N 2.86Å; D257-V261 VanDerWaalsContact O-N 3.1Å
258	V	97.6	Very high	94.1	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.012	26%	0.26	C	S	.	.	H	α-helix	trans	-65.6	-43.3	176.9	-178.3	0	0	0	0	110.1	L48 I226 R253 E254 P255 K256 Q260 V261 V262 L275	L48-V258 HydrophobicContact CD1-CB 3.75Å; L48-V258 HydrophobicContact CD1-CG1 3.67Å; L48-V258 HydrophobicContact CD2-CG1 3.94Å; L48-V258 HydrophobicContact CG-CG1 4.49Å; I226-V258 HydrophobicContact CD1-CB 4.36Å; I226-V258 HydrophobicContact CD1-CG1 3.95Å; I226-V258 HydrophobicContact CD1-CG2 4.08Å; I226-V258 HydrophobicContact CG1-CG2 4.12Å; I226-V258 HydrophobicContact CG2-CG2 4.17Å; R253-V258 HydrophobicContact CB-CG2 4.25Å; R253-V258 HydrophobicContact CG-CG2 3.97Å; E254-V258 PolarHBondContact O-N 3.46Å; P255-V258 PolarHBondContact O-N 3.36Å; K256-V258 VanDerWaalsContact C-N 3.35Å; V258-Q260 VanDerWaalsContact C-N 3.32Å; V258-Q260 PolarHBondContact O-N 2.72Å; V258-V261 WeakPolarHBondContact O-CB 3.31Å; V258-V261 PolarHBondContact O-N 2.83Å; V258-V262 WeakPolarHBondContact O-CG2 2.95Å; V258-V262 PolarHBondContact O-N 3.02Å; V258-L275 HydrophobicContact CG1-CD1 4.06Å
259	A	98.2	Very high	94.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-58.7	-42	175.6	0	0	0	0	0	112.2	L48 E51 V55 P255 K256 V261 V262 L263	L48-A259 HydrophobicContact CD1-CB 4.11Å; E51-A259 HydrophobicContact CB-CB 3.76Å; V55-A259 HydrophobicContact CG1-CB 4.04Å; V55-A259 HydrophobicContact CG2-CB 3.89Å; P255-A259 WeakPolarHBondContact O-CB 3.38Å; P255-A259 PolarHBondContact O-N 2.99Å; K256-A259 PolarHBondContact O-N 2.94Å; A259-V261 VanDerWaalsContact C-N 3.29Å; A259-V261 PolarHBondContact O-N 3.47Å; A259-V262 WeakPolarHBondContact O-CB 3.48Å; A259-V262 PolarHBondContact O-N 3.01Å; A259-V262 VanDerWaalsContact O-N 3.13Å; A259-L263 PolarHBondContact O-N 3.32Å
260	Q	97.6	Very high	95	Very high	71 Å²	71	56.8 Å²	56.8	33%	0.332	28%	0.275	S	S	.	.	H	α-helix	trans	-61.9	-36.3	173.9	-76.1	-65.4	-16.8	0	0	112.8	V55 K256 D257 V258 K264	V55-Q260 HydrophobicContact CG1-CG 4.08Å; V55-Q260 VanDerWaalsContact CG1-NE2 3.27Å; K256-Q260 WeakPolarHBondContact O-CG 3.44Å; K256-Q260 PolarHBondContact O-N 3.46Å; D257-Q260 PolarHBondContact O-N 3.39Å; V258-Q260 VanDerWaalsContact C-N 3.32Å; V258-Q260 PolarHBondContact O-N 2.72Å; Q260-K264 WeakPolarHBondContact O-CG 3.3Å; Q260-K264 PolarHBondContact O-N 3.28Å
261	V	97.3	Very high	95.5	Very high	39 Å²	39	60.8 Å²	60.8	24%	0.236	29%	0.286	C	S	.	.	H	α-helix	trans	-69	-39.5	173.1	178.5	0	0	0	0	111.4	D257 V258 A259 L263 K264 A265 V273 L275	D257-V261 WeakPolarHBondContact O-CG2 3.22Å; D257-V261 PolarHBondContact O-N 2.86Å; D257-V261 VanDerWaalsContact O-N 3.1Å; V258-V261 WeakPolarHBondContact O-CB 3.31Å; V258-V261 PolarHBondContact O-N 2.83Å; A259-V261 VanDerWaalsContact C-N 3.29Å; A259-V261 PolarHBondContact O-N 3.47Å; V261-L263 VanDerWaalsContact C-N 3.33Å; V261-L263 PolarHBondContact O-N 2.85Å; V261-K264 CarbonylContact O-C 3.38Å; V261-K264 PolarHBondContact O-N 2.69Å; V261-A265 WeakPolarHBondContact O-CB 3.15Å; V261-A265 PolarHBondContact O-N 2.91Å; V261-V273 HydrophobicContact CG1-CG1 3.72Å; V261-L275 HydrophobicContact CB-CD1 3.75Å; V261-L275 HydrophobicContact CB-CD2 4.34Å; V261-L275 HydrophobicContact CG1-CD1 3.6Å; V261-L275 HydrophobicContact CG1-CD2 3.78Å; V261-L275 HydrophobicContact CG1-CG 4.16Å; V261-L275 HydrophobicContact CG2-CD1 4.21Å; V261-L275 HydrophobicContact CG2-CD2 4.14Å
262	V	98.3	Very high	95.9	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-58.4	-46.7	174.5	175.3	0	0	0	0	110.3	F56 I126 V176 I178 V221 V258 A259 K264 A265 V266	F56-V262 HydrophobicContact CE2-CG1 4.12Å; F56-V262 HydrophobicContact CZ-CG1 4.36Å; I126-V262 HydrophobicContact CD1-CG1 4.19Å; V176-V262 HydrophobicContact CG1-CG1 4.2Å; I178-V262 HydrophobicContact CD1-CG2 3.9Å; V221-V262 HydrophobicContact CG2-CG2 4.41Å; V258-V262 WeakPolarHBondContact O-CG2 2.95Å; V258-V262 PolarHBondContact O-N 3.02Å; A259-V262 WeakPolarHBondContact O-CB 3.48Å; A259-V262 PolarHBondContact O-N 3.01Å; A259-V262 VanDerWaalsContact O-N 3.13Å; V262-K264 PolarHBondContact O-N 3.46Å; V262-A265 WeakPolarHBondContact O-CB 3.47Å; V262-A265 PolarHBondContact O-N 3.39Å; V262-A265 VanDerWaalsContact O-N 3.11Å; V262-V266 WeakPolarHBondContact O-CG2 3.31Å; V262-V266 PolarHBondContact O-N 3.01Å
263	L	97.9	Very high	96.2	Very high	24 Å²	24	58.6 Å²	58.6	13%	0.126	27%	0.269	C	S	.	.	H	α-helix	trans	-56.7	-47.8	175.1	-178.5	67.4	0	0	0	111.9	I34 V55 F56 A59 A259 V261 A265 V266 H267	I34-L263 HydrophobicContact CB-CD1 4.36Å; I34-L263 HydrophobicContact CG1-CD1 3.94Å; I34-L263 HydrophobicContact CG2-CD1 3.86Å; V55-L263 HydrophobicContact CB-CD2 4.35Å; V55-L263 HydrophobicContact CG2-CB 4.22Å; F56-L263 HydrophobicContact CD1-CD1 3.72Å; F56-L263 HydrophobicContact CD2-CD1 4.13Å; F56-L263 HydrophobicContact CE1-CD1 3.62Å; F56-L263 HydrophobicContact CE2-CB 4.06Å; F56-L263 HydrophobicContact CE2-CD1 4.02Å; F56-L263 HydrophobicContact CG-CD1 4Å; F56-L263 HydrophobicContact CZ-CB 4.24Å; F56-L263 HydrophobicContact CZ-CD1 3.78Å; A59-L263 HydrophobicContact CB-CD1 4.09Å; A59-L263 HydrophobicContact CB-CD2 4.33Å; A259-L263 PolarHBondContact O-N 3.32Å; V261-L263 VanDerWaalsContact C-N 3.33Å; V261-L263 PolarHBondContact O-N 2.85Å; L263-A265 VanDerWaalsContact C-N 3.31Å; L263-A265 PolarHBondContact O-N 3.08Å; L263-V266 PolarHBondContact O-N 3.47Å; L263-H267 PolarHBondContact O-N 2.79Å
264	K	96.2	Very high	96.3	Very high	125 Å²	125	55 Å²	55	54%	0.543	26%	0.26	S	S	.	.	H	α-helix	trans	-63.6	-35.2	175.8	-73	175.6	-177.9	179.6	0	112.6	Q260 V261 V262 H267 H268	Q260-K264 WeakPolarHBondContact O-CG 3.3Å; Q260-K264 PolarHBondContact O-N 3.28Å; V261-K264 CarbonylContact O-C 3.38Å; V261-K264 PolarHBondContact O-N 2.69Å; V262-K264 PolarHBondContact O-N 3.46Å; K264-H267 PolarHBondContact O-N 3.45Å; K264-H268 PolarHBondContact O-N 3.37Å; K264-H268 PolarHBondContact O-ND1 3.2Å
265	A	96.5	Very high	96.2	Very high	3 Å²	3	53.2 Å²	53.2	3%	0.025	25%	0.252	C	S	.	.	H	α-helix	trans	-68.6	-37.6	178.7	0	0	0	0	0	111.5	T219 V261 V262 L263 R269 S270 V273	T219-A265 HydrophobicContact CG2-CB 4.1Å; V261-A265 WeakPolarHBondContact O-CB 3.15Å; V261-A265 PolarHBondContact O-N 2.91Å; V262-A265 WeakPolarHBondContact O-CB 3.47Å; V262-A265 PolarHBondContact O-N 3.39Å; V262-A265 VanDerWaalsContact O-N 3.11Å; L263-A265 VanDerWaalsContact C-N 3.31Å; L263-A265 PolarHBondContact O-N 3.08Å; A265-R269 WeakPolarHBondContact O-CA 3.19Å; A265-R269 PolarHBondContact O-N 3.45Å; A265-S270 PolarHBondContact O-N 3.43Å; A265-V273 HydrophobicContact CB-CG2 3.71Å
266	V	97.1	Very high	96	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.024	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-50.3	171	177.6	0	0	0	0	110.3	I34 F56 V124 V176 V262 L263 H268 R269	I34-V266 HydrophobicContact CD1-CB 4.1Å; I34-V266 HydrophobicContact CD1-CG1 3.47Å; I34-V266 VanDerWaalsContact CD1-CG1 3.47Å; F56-V266 HydrophobicContact CE1-CB 4.39Å; F56-V266 HydrophobicContact CE1-CG1 4.41Å; F56-V266 HydrophobicContact CE1-CG2 4.27Å; F56-V266 HydrophobicContact CZ-CB 4.24Å; F56-V266 HydrophobicContact CZ-CG2 3.82Å; V124-V266 HydrophobicContact CG1-CG1 4.18Å; V124-V266 HydrophobicContact CG1-CG2 4.04Å; V124-V266 HydrophobicContact CG2-CG1 3.84Å; V176-V266 HydrophobicContact CG2-CG2 3.58Å; V262-V266 WeakPolarHBondContact O-CG2 3.31Å; V262-V266 PolarHBondContact O-N 3.01Å; L263-V266 PolarHBondContact O-N 3.47Å; V266-H268 PolarHBondContact O-N 3.02Å; V266-R269 PolarHBondContact O-N 2.86Å; V266-R269 VanDerWaalsContact O-N 3.08Å
267	H	95	Very high	95.7	Very high	68 Å²	68	49.6 Å²	49.6	32%	0.315	25%	0.251	S	S	.	.	H	α-helix	trans	-55.1	-48.5	178.4	-176.6	68.2	0	0	0	112.2	G31 A32 L263 K264 R269	G31-H267 CarbonylContact C-O 3.59Å; G31-H267 WeakPolarHBondContact CA-O 3.41Å; A32-H267 PolarHBondContact N-O 3.46Å; A32-H267 PolarHBondContact O-ND1 3.14Å; L263-H267 PolarHBondContact O-N 2.79Å; K264-H267 PolarHBondContact O-N 3.45Å; H267-R269 VanDerWaalsContact C-N 3.31Å; H267-R269 PolarHBondContact O-N 3.13Å
268	H	93.6	Very high	95.3	Very high	88 Å²	88	51.6 Å²	51.6	41%	0.407	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	3.7	-179.4	-58.5	111	0	0	0	114.2	K264 V266 S270	K264-H268 PolarHBondContact O-N 3.37Å; K264-H268 PolarHBondContact O-ND1 3.2Å; V266-H268 PolarHBondContact O-N 3.02Å; H268-S270 PolarHBondContact O-N 3.42Å
269	R	94.1	Very high	95	Very high	119 Å²	119	58.1 Å²	58.1	45%	0.449	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	42.3	-175.5	-60.8	174.8	173.6	-178	2.7	112.8	Q217 A265 V266 H267 K271	Q217-R269 HydrophobicContact CG-CB 4.18Å; Q217-R269 HydrophobicContact CG-CG 4.07Å; A265-R269 WeakPolarHBondContact O-CA 3.19Å; A265-R269 PolarHBondContact O-N 3.45Å; V266-R269 PolarHBondContact O-N 2.86Å; V266-R269 VanDerWaalsContact O-N 3.08Å; H267-R269 VanDerWaalsContact C-N 3.31Å; H267-R269 PolarHBondContact O-N 3.13Å; R269-K271 PolarHBondContact O-N 3.45Å
270	S	94.9	Very high	94.7	Very high	33 Å²	33	59.7 Å²	59.7	23%	0.231	31%	0.312	C	S	.	.			trans	-65	130.5	-174.2	-62.3	0	0	0	0	111.1	T219 A265 H268	T219-S270 WeakPolarHBondContact CA-O 3.16Å; T219-S270 WeakPolarHBondContact CB-O 3.41Å; T219-S270 VanDerWaalsContact CG2-O 3.26Å; T219-S270 WeakPolarHBondContact CG2-O 3.19Å; T219-S270 PolarHBondContact OG1-O 2.96Å; A265-S270 PolarHBondContact O-N 3.43Å; H268-S270 PolarHBondContact O-N 3.42Å
271	K	95.3	Very high	94.5	Very high	120 Å²	120	57.9 Å²	57.9	52%	0.522	31%	0.306	S	S	.	.	S	Bend	trans	-70.6	-41.3	-180	-64.5	-173.8	176.3	-170.5	0	112.5	R208 T219 V220 R269	R208-K271 PolarHBondContact NH2-O 3.27Å; T219-K271 WeakPolarHBondContact CA-O 3.39Å; V220-K271 PolarHBondContact N-O 3.26Å; V220-K271 VanDerWaalsContact N-O 3.11Å; R269-K271 PolarHBondContact O-N 3.45Å
272	E	95.9	Very high	94.4	Very high	102 Å²	102	60.6 Å²	60.6	48%	0.477	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	137	-175.7	-172.3	175	168.4	0	0	110.6	K184	K184-E272 WeakPolarHBondContact CE-OE1 3.49Å; K184-E272 IonicContact NZ-OE1 3.55Å; K184-E272 PolarHBondContact NZ-OE1 3.23Å; K184-E272 IonicContact NZ-OE2 3.82Å
273	V	97	Very high	94.3	Very high	18 Å²	18	61.6 Å²	61.6	11%	0.109	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	102.7	-179.3	-172.5	0	0	0	0	109.7	T219 V220 V221 S222 V261 A265 L275	T219-V273 HydrophobicContact CG2-CG2 3.97Å; V220-V273 PolarHBondContact O-N 3.32Å; V221-V273 CarbonylContact C-O 3.57Å; V221-V273 WeakPolarHBondContact CA-O 3.36Å; V221-V273 HydrophobicContact CG1-CB 4.25Å; V221-V273 HydrophobicContact CG1-CG1 4.37Å; V221-V273 HydrophobicContact CG2-CB 4.28Å; S222-V273 PolarHBondContact N-O 2.93Å; V261-V273 HydrophobicContact CG1-CG1 3.72Å; A265-V273 HydrophobicContact CB-CG2 3.71Å; V273-L275 HydrophobicContact CG1-CD1 4.2Å; V273-L275 HydrophobicContact CG1-CD2 4.05Å; V273-L275 HydrophobicContact CG1-CG 3.86Å
274	L	96.4	Very high	94.2	Very high	58 Å²	58	61.4 Å²	61.4	30%	0.304	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	112.9	174.1	-179.7	62.9	0	0	0	110.1	V181 A276 T281 I284	V181-L274 HydrophobicContact CG1-CD1 3.98Å; L274-A276 HydrophobicContact CD1-CB 4.13Å; L274-A276 HydrophobicContact CG-CB 4.44Å; L274-T281 HydrophobicContact CD2-CG2 3.96Å; L274-I284 HydrophobicContact CD1-CD1 3.67Å; L274-I284 HydrophobicContact CD2-CD1 4.03Å
275	L	93.9	Very high	94.1	Very high	33 Å²	33	62 Å²	62	17%	0.173	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	72	178.6	-62.2	173.1	0	0	0	110.8	V221 S222 P223 G224 V258 V261 V273	V221-L275 HydrophobicContact CG1-CD1 4.01Å; S222-L275 PolarHBondContact O-N 3.33Å; P223-L275 CarbonylContact C-O 3.45Å; P223-L275 WeakPolarHBondContact CA-O 3.38Å; P223-L275 HydrophobicContact CB-CB 4.46Å; G224-L275 PolarHBondContact N-O 3.14Å; V258-L275 HydrophobicContact CG1-CD1 4.06Å; V261-L275 HydrophobicContact CB-CD1 3.75Å; V261-L275 HydrophobicContact CB-CD2 4.34Å; V261-L275 HydrophobicContact CG1-CD1 3.6Å; V261-L275 HydrophobicContact CG1-CD2 3.78Å; V261-L275 HydrophobicContact CG1-CG 4.16Å; V261-L275 HydrophobicContact CG2-CD1 4.21Å; V261-L275 HydrophobicContact CG2-CD2 4.14Å; V273-L275 HydrophobicContact CG1-CD1 4.2Å; V273-L275 HydrophobicContact CG1-CD2 4.05Å; V273-L275 HydrophobicContact CG1-CG 3.86Å
276	A	90.9	Very high	94.2	Very high	27 Å²	27	64 Å²	64	22%	0.223	34%	0.335	C	S	.	.			trans	-132.9	155.7	-179.6	0	0	0	0	0	111.6	V181 L274 P280	V181-A276 HydrophobicContact CG1-CB 3.48Å; V181-A276 VanDerWaalsContact CG1-CB 3.48Å; L274-A276 HydrophobicContact CD1-CB 4.13Å; L274-A276 HydrophobicContact CG-CB 4.44Å; A276-P280 HydrophobicContact CB-CB 3.97Å; A276-P280 HydrophobicContact CB-CG 4.38Å
277	G	89.1	Confident	94.1	Very high	37 Å²	37	67.3 Å²	67.3	38%	0.381	35%	0.347	S	S	.	.			trans	-63.6	175.3	171.7	0	0	0	0	0	112.5	L279 P280 T281	G277-L279 VanDerWaalsContact C-N 3.27Å; G277-L279 PolarHBondContact O-N 3.22Å; G277-P280 WeakPolarHBondContact O-CD 3.27Å; G277-T281 WeakPolarHBondContact O-CB 3.3Å; G277-T281 PolarHBondContact O-N 3.02Å; G277-T281 PolarHBondContact O-OG1 3.39Å
278	P	89.1	Confident	94.2	Very high	113 Å²	113	69.2 Å²	69.2	73%	0.734	36%	0.364	S	S	*	.	H	α-helix	trans	-60.2	-37.4	-179.4	23.3	-33	0	0	0	112.2	L282	P278-L282 VanDerWaalsContact O-CB 3.29Å; P278-L282 WeakPolarHBondContact O-CB 3.38Å; P278-L282 PolarHBondContact O-N 2.98Å
279	L	90.9	Very high	94.3	Very high	138 Å²	138	71.7 Å²	71.7	72%	0.723	38%	0.379	S	S	*	.	H	α-helix	trans	-67.3	-54.3	-177.7	-69.8	176.2	0	0	0	113.7	G277 T281 L282 A283	G277-L279 VanDerWaalsContact C-N 3.27Å; G277-L279 PolarHBondContact O-N 3.22Å; L279-T281 VanDerWaalsContact C-N 3.27Å; L279-T281 PolarHBondContact O-N 3.41Å; L279-L282 PolarHBondContact O-N 3.42Å; L279-A283 PolarHBondContact O-N 3.22Å
280	P	91.4	Very high	94.5	Very high	34 Å²	34	73.8 Å²	73.8	22%	0.221	39%	0.387	C	S	.	.	H	α-helix	trans	-62.9	-34.4	175.7	-20.2	29.6	0	0	0	113	V181 A276 G277 A283 I284	V181-P280 HydrophobicContact CG1-CB 4.26Å; A276-P280 HydrophobicContact CB-CB 3.97Å; A276-P280 HydrophobicContact CB-CG 4.38Å; G277-P280 WeakPolarHBondContact O-CD 3.27Å; P280-A283 WeakPolarHBondContact O-CB 3.39Å; P280-A283 PolarHBondContact O-N 2.9Å; P280-I284 WeakPolarHBondContact O-CG1 3.47Å; P280-I284 PolarHBondContact O-N 3.18Å; P280-I284 VanDerWaalsContact O-N 3.08Å
281	T	93.6	Very high	94.6	Very high	33 Å²	33	75.1 Å²	75.1	20%	0.202	40%	0.395	C	S	.	.	H	α-helix	trans	-62	-48.1	175.9	-60.3	0	0	0	0	111	L274 G277 L279 A283 I284 Y285	L274-T281 HydrophobicContact CD2-CG2 3.96Å; G277-T281 WeakPolarHBondContact O-CB 3.3Å; G277-T281 PolarHBondContact O-N 3.02Å; G277-T281 PolarHBondContact O-OG1 3.39Å; L279-T281 VanDerWaalsContact C-N 3.27Å; L279-T281 PolarHBondContact O-N 3.41Å; T281-A283 VanDerWaalsContact C-N 3.3Å; T281-A283 PolarHBondContact O-N 3.39Å; T281-I284 WeakPolarHBondContact O-CB 3.4Å; T281-I284 PolarHBondContact O-N 3.15Å; T281-Y285 HydrophobicContact CG2-CD2 4.21Å; T281-Y285 HydrophobicContact CG2-CE2 3.72Å; T281-Y285 WeakPolarHBondContact O-CD2 3.37Å; T281-Y285 PolarHBondContact O-N 2.75Å
282	L	94.9	Very high	94.7	Very high	95 Å²	95	72.1 Å²	72.1	50%	0.497	39%	0.393	S	S	.	.	H	α-helix	trans	-60.3	-40.9	174.6	-179.9	62.7	0	0	0	111.5	P278 L279 I284 Y285 I286	P278-L282 VanDerWaalsContact O-CB 3.29Å; P278-L282 WeakPolarHBondContact O-CB 3.38Å; P278-L282 PolarHBondContact O-N 2.98Å; L279-L282 PolarHBondContact O-N 3.42Å; L282-I284 VanDerWaalsContact C-N 3.28Å; L282-I284 PolarHBondContact O-N 3.03Å; L282-Y285 PolarHBondContact O-N 2.83Å; L282-Y285 VanDerWaalsContact O-N 3.11Å; L282-I286 HydrophobicContact CD1-CD1 4.16Å; L282-I286 HydrophobicContact CD1-CG1 4.14Å; L282-I286 HydrophobicContact CD2-CD1 4.16Å; L282-I286 HydrophobicContact CG-CD1 3.71Å; L282-I286 HydrophobicContact CG-CG1 4.13Å; L282-I286 WeakPolarHBondContact O-CG1 3.5Å; L282-I286 PolarHBondContact O-N 3.38Å
283	A	95.3	Very high	94.7	Very high	21 Å²	21	70.2 Å²	70.2	17%	0.174	39%	0.386	C	S	.	.	H	α-helix	trans	-61.4	-34.9	178.5	0	0	0	0	0	113	I185 L279 P280 T281 I286 R287 F294	I185-A283 HydrophobicContact CD1-CB 4.07Å; L279-A283 PolarHBondContact O-N 3.22Å; P280-A283 WeakPolarHBondContact O-CB 3.39Å; P280-A283 PolarHBondContact O-N 2.9Å; T281-A283 VanDerWaalsContact C-N 3.3Å; T281-A283 PolarHBondContact O-N 3.39Å; A283-I286 PolarHBondContact O-N 3.03Å; A283-R287 WeakPolarHBondContact O-CB 3.48Å; A283-R287 PolarHBondContact O-N 3.28Å; A283-F294 HydrophobicContact CB-CE2 4.3Å
284	I	95.8	Very high	94.7	Very high	21 Å²	21	69.6 Å²	69.6	11%	0.108	38%	0.382	C	S	.	.	H	α-helix	trans	-61.4	-47.6	172.5	-67.2	163.1	0	0	0	110.3	V181 K184 I185 L274 P280 T281 L282 R287 T288	V181-I284 HydrophobicContact CG1-CD1 4.39Å; K184-I284 HydrophobicContact CB-CD1 4.25Å; K184-I284 HydrophobicContact CB-CG1 4.11Å; K184-I284 HydrophobicContact CB-CG2 4.34Å; K184-I284 HydrophobicContact CD-CD1 4.21Å; I185-I284 HydrophobicContact CD1-CG1 4.46Å; I185-I284 HydrophobicContact CG1-CG1 4.28Å; I185-I284 HydrophobicContact CG2-CB 4.21Å; I185-I284 HydrophobicContact CG2-CG1 3.71Å; L274-I284 HydrophobicContact CD1-CD1 3.67Å; L274-I284 HydrophobicContact CD2-CD1 4.03Å; P280-I284 WeakPolarHBondContact O-CG1 3.47Å; P280-I284 PolarHBondContact O-N 3.18Å; P280-I284 VanDerWaalsContact O-N 3.08Å; T281-I284 WeakPolarHBondContact O-CB 3.4Å; T281-I284 PolarHBondContact O-N 3.15Å; L282-I284 VanDerWaalsContact C-N 3.28Å; L282-I284 PolarHBondContact O-N 3.03Å; I284-R287 PolarHBondContact O-N 2.84Å; I284-T288 PolarHBondContact O-N 2.95Å; I284-T288 PolarHBondContact O-OG1 2.87Å
285	Y	95.9	Very high	94.8	Very high	138 Å²	138	72.2 Å²	72.2	54%	0.541	39%	0.391	S	S	.	.	H	α-helix	trans	-66.5	-41.3	177.7	-67.8	-67.8	0	0	0	112.8	T281 L282 R287 T288 L289	T281-Y285 HydrophobicContact CG2-CD2 4.21Å; T281-Y285 HydrophobicContact CG2-CE2 3.72Å; T281-Y285 WeakPolarHBondContact O-CD2 3.37Å; T281-Y285 PolarHBondContact O-N 2.75Å; L282-Y285 PolarHBondContact O-N 2.83Å; L282-Y285 VanDerWaalsContact O-N 3.11Å; Y285-R287 VanDerWaalsContact C-N 3.32Å; Y285-R287 PolarHBondContact O-N 3.14Å; Y285-T288 PolarHBondContact O-N 3.13Å; Y285-L289 WeakPolarHBondContact O-CB 3.38Å; Y285-L289 WeakPolarHBondContact O-CG 3.37Å; Y285-L289 PolarHBondContact O-N 3.15Å
286	I	96.9	Very high	94.9	Very high	45 Å²	45	78 Å²	78	23%	0.231	42%	0.415	C	S	.	.	H	α-helix	trans	-63.5	-39.4	177.3	-63.9	172.5	0	0	0	110.4	L282 A283 T288 W290 L293 F294	L282-I286 HydrophobicContact CD1-CD1 4.16Å; L282-I286 HydrophobicContact CD1-CG1 4.14Å; L282-I286 HydrophobicContact CD2-CD1 4.16Å; L282-I286 HydrophobicContact CG-CD1 3.71Å; L282-I286 HydrophobicContact CG-CG1 4.13Å; L282-I286 WeakPolarHBondContact O-CG1 3.5Å; L282-I286 PolarHBondContact O-N 3.38Å; A283-I286 PolarHBondContact O-N 3.03Å; I286-T288 PolarHBondContact O-N 3.18Å; I286-W290 HydrophobicContact CG2-CB 4.39Å; I286-W290 CarbonylContact O-C 3.49Å; I286-W290 VanDerWaalsContact O-CA 3.32Å; I286-W290 WeakPolarHBondContact O-CA 3.31Å; I286-W290 PolarHBondContact O-N 3.41Å; I286-W290 VanDerWaalsContact O-O 3.14Å; I286-L293 HydrophobicContact CG2-CB 4.26Å; I286-L293 HydrophobicContact CG2-CD2 4.15Å; I286-L293 HydrophobicContact CG2-CG 4.2Å; I286-F294 HydrophobicContact CG2-CB 3.95Å
287	R	96.5	Very high	95.2	Very high	73 Å²	73	80.4 Å²	80.4	28%	0.275	43%	0.426	S	S	.	.	H	α-helix	trans	-56.1	-41.6	174.9	174.8	177.1	172.7	77.3	-3.5	111.8	K184 I185 A283 I284 Y285 F294	K184-R287 WeakPolarHBondContact O-CD 3.47Å; K184-R287 PolarHBondContact O-NE 3.32Å; K184-R287 VanDerWaalsContact O-NE 3.16Å; I185-R287 HydrophobicContact CG2-CB 3.98Å; I185-R287 HydrophobicContact CG2-CG 4.42Å; A283-R287 WeakPolarHBondContact O-CB 3.48Å; A283-R287 PolarHBondContact O-N 3.28Å; I284-R287 PolarHBondContact O-N 2.84Å; Y285-R287 VanDerWaalsContact C-N 3.32Å; Y285-R287 PolarHBondContact O-N 3.14Å; R287-F294 HydrophobicContact CB-CB 4.4Å; R287-F294 HydrophobicContact CB-CD1 4.1Å; R287-F294 HydrophobicContact CB-CD2 3.85Å; R287-F294 HydrophobicContact CB-CE1 4.38Å; R287-F294 HydrophobicContact CB-CE2 4.14Å; R287-F294 HydrophobicContact CB-CG 3.84Å; R287-F294 HydrophobicContact CB-CZ 4.41Å; R287-F294 HydrophobicContact CG-CD1 4.19Å; R287-F294 HydrophobicContact CG-CE1 4.31Å; R287-F294 HydrophobicContact CG-CG 4.42Å
288	T	95.5	Very high	95.5	Very high	107 Å²	107	80.1 Å²	80.1	66%	0.656	42%	0.415	S	S	*	.	H	α-helix	trans	-78.4	-45.7	-178.7	-54.3	0	0	0	0	112.5	I284 Y285 I286	I284-T288 PolarHBondContact O-N 2.95Å; I284-T288 PolarHBondContact O-OG1 2.87Å; Y285-T288 PolarHBondContact O-N 3.13Å; I286-T288 PolarHBondContact O-N 3.18Å
289	L	97.6	Very high	95.8	Very high	141 Å²	141	76.7 Å²	76.7	74%	0.738	40%	0.397	S	S	*	.	H	α-helix	trans	-89	-29	-171	-61	175.7	0	0	0	113.4	Y285	Y285-L289 WeakPolarHBondContact O-CB 3.38Å; Y285-L289 WeakPolarHBondContact O-CG 3.37Å; Y285-L289 PolarHBondContact O-N 3.15Å
290	W	97.4	Very high	96	Very high	162 Å²	162	73.1 Å²	73.1	61%	0.614	38%	0.383	S	S	*	.			trans	-145	68.7	-178.9	-163.8	-5.3	0	0	0	112	I286 A292 L293 F294	I286-W290 HydrophobicContact CG2-CB 4.39Å; I286-W290 CarbonylContact O-C 3.49Å; I286-W290 VanDerWaalsContact O-CA 3.32Å; I286-W290 WeakPolarHBondContact O-CA 3.31Å; I286-W290 PolarHBondContact O-N 3.41Å; I286-W290 VanDerWaalsContact O-O 3.14Å; W290-A292 VanDerWaalsContact C-N 3.28Å; W290-A292 PolarHBondContact O-N 3.31Å; W290-L293 HydrophobicContact CB-CB 4.27Å; W290-L293 HydrophobicContact CD2-CB 3.67Å; W290-L293 HydrophobicContact CD2-CD2 3.94Å; W290-L293 HydrophobicContact CD2-CG 4.45Å; W290-L293 HydrophobicContact CE3-CB 4.27Å; W290-L293 HydrophobicContact CE3-CD2 3.64Å; W290-L293 HydrophobicContact CG-CB 3.63Å; W290-L293 HydrophobicContact CZ3-CD2 3.99Å; W290-L293 PolarHBondContact O-N 3.4Å; W290-F294 PolarHBondContact O-N 3.15Å; W290-F294 VanDerWaalsContact O-N 3.16Å
291	P	96.7	Very high	96.1	Very high	61 Å²	61	75.6 Å²	75.6	40%	0.396	39%	0.388	S	S	.	.	H	α-helix	trans	-57.9	-37.2	-173.5	20.2	-32.6	0	0	0	113.3	L293 F294 F295	P291-L293 VanDerWaalsContact C-N 3.32Å; P291-L293 PolarHBondContact O-N 2.89Å; P291-F294 WeakPolarHBondContact O-CB 3.33Å; P291-F294 PolarHBondContact O-N 3.16Å; P291-F295 HydrophobicContact CB-CD2 4.22Å; P291-F295 HydrophobicContact CB-CE2 3.87Å; P291-F295 WeakPolarHBondContact O-CD2 3.37Å; P291-F295 WeakPolarHBondContact O-CG 3.35Å; P291-F295 PolarHBondContact O-N 3.21Å
292	A	97.3	Very high	96.1	Very high	58 Å²	58	75.3 Å²	75.3	48%	0.479	39%	0.389	S	S	.	.	H	α-helix	trans	-59.6	-40.4	177.7	0	0	0	0	0	112.7	W290 K296	W290-A292 VanDerWaalsContact C-N 3.28Å; W290-A292 PolarHBondContact O-N 3.31Å; A292-K296 WeakPolarHBondContact O-CG 3.24Å; A292-K296 PolarHBondContact O-N 2.92Å; A292-K296 VanDerWaalsContact O-N 3.12Å
293	L	96.8	Very high	96	Very high	61 Å²	61	78 Å²	78	32%	0.319	39%	0.393	S	S	.	.	H	α-helix	trans	-68.5	-46.4	175.5	177.5	60.8	0	0	0	110.7	I286 W290 P291 F295 K296 V297	I286-L293 HydrophobicContact CG2-CB 4.26Å; I286-L293 HydrophobicContact CG2-CD2 4.15Å; I286-L293 HydrophobicContact CG2-CG 4.2Å; W290-L293 HydrophobicContact CB-CB 4.27Å; W290-L293 HydrophobicContact CD2-CB 3.67Å; W290-L293 HydrophobicContact CD2-CD2 3.94Å; W290-L293 HydrophobicContact CD2-CG 4.45Å; W290-L293 HydrophobicContact CE3-CB 4.27Å; W290-L293 HydrophobicContact CE3-CD2 3.64Å; W290-L293 HydrophobicContact CG-CB 3.63Å; W290-L293 HydrophobicContact CZ3-CD2 3.99Å; W290-L293 PolarHBondContact O-N 3.4Å; P291-L293 VanDerWaalsContact C-N 3.32Å; P291-L293 PolarHBondContact O-N 2.89Å; L293-F295 VanDerWaalsContact C-N 3.33Å; L293-F295 PolarHBondContact O-N 3.19Å; L293-K296 PolarHBondContact O-N 3.21Å; L293-V297 HydrophobicContact CD1-CG2 4.29Å; L293-V297 WeakPolarHBondContact O-CG2 2.95Å; L293-V297 PolarHBondContact O-N 3.41Å
294	F	97.2	Very high	95.7	Very high	5 Å²	5	85 Å²	85	2%	0.022	42%	0.419	C	S	.	.	H	α-helix	trans	-53.9	-50.3	177	176.8	-96.8	0	0	0	111.5	I185 A283 I286 R287 W290 P291 K296 V297 M298	I185-F294 HydrophobicContact CB-CE2 4.19Å; I185-F294 HydrophobicContact CB-CZ 3.95Å; I185-F294 HydrophobicContact CG2-CE2 4Å; I185-F294 HydrophobicContact CG2-CZ 4.13Å; A283-F294 HydrophobicContact CB-CE2 4.3Å; I286-F294 HydrophobicContact CG2-CB 3.95Å; R287-F294 HydrophobicContact CB-CB 4.4Å; R287-F294 HydrophobicContact CB-CD1 4.1Å; R287-F294 HydrophobicContact CB-CD2 3.85Å; R287-F294 HydrophobicContact CB-CE1 4.38Å; R287-F294 HydrophobicContact CB-CE2 4.14Å; R287-F294 HydrophobicContact CB-CG 3.84Å; R287-F294 HydrophobicContact CB-CZ 4.41Å; R287-F294 HydrophobicContact CG-CD1 4.19Å; R287-F294 HydrophobicContact CG-CE1 4.31Å; R287-F294 HydrophobicContact CG-CG 4.42Å; W290-F294 PolarHBondContact O-N 3.15Å; W290-F294 VanDerWaalsContact O-N 3.16Å; P291-F294 WeakPolarHBondContact O-CB 3.33Å; P291-F294 PolarHBondContact O-N 3.16Å; F294-K296 PolarHBondContact O-N 3.36Å; F294-V297 PolarHBondContact O-N 3.45Å; F294-M298 HydrophobicContact CD1-CG 4.08Å; F294-M298 HydrophobicContact CE1-CG 3.57Å; F294-M298 HydrophobicContact CE2-CE 4.1Å; F294-M298 HydrophobicContact CE2-CG 4.07Å; F294-M298 HydrophobicContact CE2-SD 4.24Å; F294-M298 HydrophobicContact CZ-CE 4.38Å; F294-M298 HydrophobicContact CZ-CG 3.55Å; F294-M298 HydrophobicContact CZ-SD 3.91Å; F294-M298 WeakPolarHBondContact O-CG 3.46Å; F294-M298 PolarHBondContact O-N 3.24Å
295	F	97.1	Very high	95.2	Very high	113 Å²	113	86.2 Å²	86.2	50%	0.496	42%	0.424	S	S	.	.	H	α-helix	trans	-68	-32.9	-178.6	-64.9	-51.6	0	0	0	112.9	P291 L293 M298 A299	P291-F295 HydrophobicContact CB-CD2 4.22Å; P291-F295 HydrophobicContact CB-CE2 3.87Å; P291-F295 WeakPolarHBondContact O-CD2 3.37Å; P291-F295 WeakPolarHBondContact O-CG 3.35Å; P291-F295 PolarHBondContact O-N 3.21Å; L293-F295 VanDerWaalsContact C-N 3.33Å; L293-F295 PolarHBondContact O-N 3.19Å; F295-M298 PolarHBondContact O-N 2.66Å; F295-A299 WeakPolarHBondContact O-CB 3.07Å; F295-A299 PolarHBondContact O-N 3Å
296	K	96.9	Very high	94.5	Very high	156 Å²	156	82.6 Å²	82.6	68%	0.678	41%	0.412	S	S	*	.	H	α-helix	trans	-61.8	-44.7	170.3	-78.7	179.5	179.5	-177.5	0	112	A292 L293 F294 A299 S300	A292-K296 WeakPolarHBondContact O-CG 3.24Å; A292-K296 PolarHBondContact O-N 2.92Å; A292-K296 VanDerWaalsContact O-N 3.12Å; L293-K296 PolarHBondContact O-N 3.21Å; F294-K296 PolarHBondContact O-N 3.36Å; K296-A299 PolarHBondContact O-N 2.9Å; K296-S300 PolarHBondContact O-N 3.01Å
297	V	96.3	Very high	93.2	Very high	77 Å²	77	87.2 Å²	87.2	47%	0.467	43%	0.431	S	S	.	.	H	α-helix	trans	-64.1	-43.8	176.9	176.2	0	0	0	0	110.8	L293 F294 A299 S300 R301	L293-V297 HydrophobicContact CD1-CG2 4.29Å; L293-V297 WeakPolarHBondContact O-CG2 2.95Å; L293-V297 PolarHBondContact O-N 3.41Å; F294-V297 PolarHBondContact O-N 3.45Å; V297-A299 PolarHBondContact O-N 2.77Å; V297-S300 PolarHBondContact O-N 2.92Å; V297-R301 PolarHBondContact O-N 2.92Å
298	M	96.4	Very high	91.9	Very high	31 Å²	31	87.2 Å²	87.2	15%	0.153	44%	0.442	C	S	.	.	H	α-helix	trans	-63.5	-40.7	176.9	-68.9	-56.2	102.3	0	0	112.5	P188 F294 F295 S300 R301 A302	P188-M298 WeakPolarHBondContact CG-O 3.21Å; F294-M298 HydrophobicContact CD1-CG 4.08Å; F294-M298 HydrophobicContact CE1-CG 3.57Å; F294-M298 HydrophobicContact CE2-CE 4.1Å; F294-M298 HydrophobicContact CE2-CG 4.07Å; F294-M298 HydrophobicContact CE2-SD 4.24Å; F294-M298 HydrophobicContact CZ-CE 4.38Å; F294-M298 HydrophobicContact CZ-CG 3.55Å; F294-M298 HydrophobicContact CZ-SD 3.91Å; F294-M298 WeakPolarHBondContact O-CG 3.46Å; F294-M298 PolarHBondContact O-N 3.24Å; F295-M298 PolarHBondContact O-N 2.66Å; M298-S300 VanDerWaalsContact C-N 3.34Å; M298-S300 PolarHBondContact O-N 3.21Å; M298-R301 WeakPolarHBondContact O-CB 2.96Å; M298-R301 PolarHBondContact O-N 2.88Å; M298-A302 PolarHBondContact O-N 3.16Å
299	A	95.7	Very high	90.5	Very high	41 Å²	41	87.6 Å²	87.6	34%	0.339	44%	0.435	S	S	.	.	H	α-helix	trans	-64.2	-38.9	174.9	0	0	0	0	0	111.9	F295 K296 V297 A302 R303	F295-A299 WeakPolarHBondContact O-CB 3.07Å; F295-A299 PolarHBondContact O-N 3Å; K296-A299 PolarHBondContact O-N 2.9Å; V297-A299 PolarHBondContact O-N 2.77Å; A299-A302 PolarHBondContact O-N 2.76Å; A299-R303 PolarHBondContact O-N 3.42Å; A299-R303 VanDerWaalsContact O-N 3.13Å
300	S	94.6	Very high	88.9	Confident	63 Å²	63	86.5 Å²	86.5	44%	0.441	43%	0.429	S	S	.	.	H	α-helix	trans	-65.3	-40.1	174.2	-165.6	0	0	0	0	112.3	K296 V297 M298 R303 K304	K296-S300 PolarHBondContact O-N 3.01Å; V297-S300 PolarHBondContact O-N 2.92Å; M298-S300 VanDerWaalsContact C-N 3.34Å; M298-S300 PolarHBondContact O-N 3.21Å; S300-R303 PolarHBondContact O-N 3.42Å; S300-K304 PolarHBondContact O-N 3.09Å
301	R	93.7	Very high	86.5	Confident	86 Å²	86	89 Å²	89	33%	0.325	45%	0.448	S	S	.	.	H	α-helix	trans	-61.5	-46.1	174.7	-178.1	178.9	176.2	124.1	10.3	111.3	V297 M298 R303 K304 E305	V297-R301 PolarHBondContact O-N 2.92Å; M298-R301 WeakPolarHBondContact O-CB 2.96Å; M298-R301 PolarHBondContact O-N 2.88Å; R301-R303 PolarHBondContact O-N 3.33Å; R301-K304 PolarHBondContact O-N 3.34Å; R301-K304 VanDerWaalsContact O-N 3.15Å; R301-E305 IonicContact CZ-OE1 3.56Å; R301-E305 VanDerWaalsContact CZ-OE1 3.3Å; R301-E305 IonicContact NE-OE1 3.67Å; R301-E305 PolarHBondContact NE-OE1 2.9Å; R301-E305 IonicContact NH2-OE1 2.82Å; R301-E305 PolarHBondContact NH2-OE1 3.32Å; R301-E305 PolarHBondContact O-N 3.15Å
302	A	93.4	Very high	86	Confident	27 Å²	27	90.4 Å²	90.4	22%	0.223	45%	0.45	C	S	.	.	H	α-helix	trans	-57.8	-46.4	178	0	0	0	0	0	111.8	P188 Y189 M298 A299 K304 E305 Q306	P188-A302 HydrophobicContact CB-CB 3.87Å; P188-A302 HydrophobicContact CG-CB 3.87Å; Y189-A302 HydrophobicContact CE2-CB 4.4Å; Y189-A302 PolarHBondContact OH-O 2.89Å; M298-A302 PolarHBondContact O-N 3.16Å; A299-A302 PolarHBondContact O-N 2.76Å; A302-K304 VanDerWaalsContact C-N 3.3Å; A302-K304 PolarHBondContact O-N 3.49Å; A302-E305 PolarHBondContact O-N 3.34Å; A302-Q306 PolarHBondContact O-N 3.27Å
303	R	92.6	Very high	85.4	Confident	151 Å²	151	92.1 Å²	92.1	57%	0.57	45%	0.449	S	S	*	.	H	α-helix	trans	-60.1	-36.5	176.4	-72	-172	-64.5	-90.2	2.7	113.4	A299 S300 R301 K307	A299-R303 PolarHBondContact O-N 3.42Å; A299-R303 VanDerWaalsContact O-N 3.13Å; S300-R303 PolarHBondContact O-N 3.42Å; R301-R303 PolarHBondContact O-N 3.33Å; R303-K307 WeakPolarHBondContact O-CG 3.2Å; R303-K307 PolarHBondContact O-N 3.03Å
304	K	89.3	Confident	84.8	Confident	167 Å²	167	93.8 Å²	93.8	73%	0.726	46%	0.456	S	S	*	.	H	α-helix	trans	-70.8	-43.8	178.8	-171	179.1	178.7	-177.6	0	111.6	S300 R301 A302 Q306 K307 S308	S300-K304 PolarHBondContact O-N 3.09Å; R301-K304 PolarHBondContact O-N 3.34Å; R301-K304 VanDerWaalsContact O-N 3.15Å; A302-K304 VanDerWaalsContact C-N 3.3Å; A302-K304 PolarHBondContact O-N 3.49Å; K304-Q306 VanDerWaalsContact C-N 3.33Å; K304-K307 PolarHBondContact O-N 2.61Å; K304-S308 PolarHBondContact O-N 2.78Å; K304-S308 PolarHBondContact O-OG 2.86Å
305	E	84.9	Confident	84	Confident	48 Å²	48	99.1 Å²	99.1	22%	0.224	48%	0.482	C	S	.	.	H	α-helix	trans	-68.7	-29.2	177.9	-77.5	173	-176.2	0	0	112.5	Y189 R301 A302 S308 K309	Y189-E305 HydrophobicContact CD2-CB 4.14Å; Y189-E305 WeakPolarHBondContact CD2-OE2 3.49Å; Y189-E305 HydrophobicContact CE2-CB 3.7Å; R301-E305 IonicContact CZ-OE1 3.56Å; R301-E305 VanDerWaalsContact CZ-OE1 3.3Å; R301-E305 IonicContact NE-OE1 3.67Å; R301-E305 PolarHBondContact NE-OE1 2.9Å; R301-E305 IonicContact NH2-OE1 2.82Å; R301-E305 PolarHBondContact NH2-OE1 3.32Å; R301-E305 PolarHBondContact O-N 3.15Å; A302-E305 PolarHBondContact O-N 3.34Å; E305-S308 WeakPolarHBondContact CA-OG 3.48Å; E305-S308 PolarHBondContact O-OG 2.98Å; E305-K309 WeakPolarHBondContact O-CG 3.5Å
306	Q	81.4	Confident	83.2	Confident	62 Å²	62	98.2 Å²	98.2	29%	0.29	48%	0.481	S	S	.	.	H	α-helix	trans	-65.1	-50.3	171.7	-169.5	61	37.6	0	0	111.4	Y189 A302 K304 S308 K309 D310	Y189-Q306 WeakPolarHBondContact OH-CB 3.38Å; Y189-Q306 PolarHBondContact OH-OE1 3.2Å; A302-Q306 PolarHBondContact O-N 3.27Å; K304-Q306 VanDerWaalsContact C-N 3.33Å; Q306-S308 VanDerWaalsContact C-N 3.28Å; Q306-S308 PolarHBondContact O-N 2.9Å; Q306-K309 WeakPolarHBondContact O-CB 3.5Å; Q306-K309 PolarHBondContact O-N 3.44Å; Q306-D310 PolarHBondContact NE2-OD1 3.18Å; Q306-D310 PolarHBondContact O-N 3.24Å
307	K	69.8	Low	82.3	Confident	141 Å²	141	94.3 Å²	94.3	61%	0.613	47%	0.468	S	S	*	.	H	α-helix	trans	-56.2	-42.3	-178.8	-74.6	-177.4	175.5	-164.8	0	112.6	R303 K304 K309 D310 E311	R303-K307 WeakPolarHBondContact O-CG 3.2Å; R303-K307 PolarHBondContact O-N 3.03Å; K304-K307 PolarHBondContact O-N 2.61Å; K307-K309 PolarHBondContact O-N 3.25Å; K307-D310 PolarHBondContact O-N 3.21Å; K307-E311 WeakPolarHBondContact O-CG 3.26Å; K307-E311 PolarHBondContact O-N 2.93Å
308	S	69.3	Low	81.3	Confident	73 Å²	73	95.6 Å²	95.6	51%	0.51	47%	0.468	S	S	.	.	H	α-helix	trans	-67.8	-11.3	177.8	55.9	0	0	0	0	114.9	K304 E305 Q306	K304-S308 PolarHBondContact O-N 2.78Å; K304-S308 PolarHBondContact O-OG 2.86Å; E305-S308 WeakPolarHBondContact CA-OG 3.48Å; E305-S308 PolarHBondContact O-OG 2.98Å; Q306-S308 VanDerWaalsContact C-N 3.28Å; Q306-S308 PolarHBondContact O-N 2.9Å
309	K	66.4	Low	80.1	Confident	116 Å²	116	100.5 Å²	100.5	50%	0.504	49%	0.492	S	S	.	.	H	α-helix	trans	-99.2	-21.2	176	-72	-179.7	174.8	-174.1	0	112.9	E305 Q306 K307	E305-K309 WeakPolarHBondContact O-CG 3.5Å; Q306-K309 WeakPolarHBondContact O-CB 3.5Å; Q306-K309 PolarHBondContact O-N 3.44Å; K307-K309 PolarHBondContact O-N 3.25Å
310	D	63	Low	78.8	Confident	117 Å²	117	105.5 Å²	105.5	63%	0.626	51%	0.505	S	S	*	.	H	α-helix	trans	-87.6	-15.8	177.5	-57.8	-21.5	0	0	0	111.6	Q306 K307	Q306-D310 PolarHBondContact NE2-OD1 3.18Å; Q306-D310 PolarHBondContact O-N 3.24Å; K307-D310 PolarHBondContact O-N 3.21Å
311	E	47.6	Very low	77.4	Confident	215 Å²	215	109.4 Å²	109.4	100%	1.005	51%	0.511	S	S	*	.			trans	-88.2	0	171.2	-71.4	172.4	-173.2	0	0	112	K307	K307-E311 WeakPolarHBondContact O-CG 3.26Å; K307-E311 PolarHBondContact O-N 2.93Å

Retrieved 311 of 311 residues in 90.8 ms (Link to these results)

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