A0A077ZC65_TRITR Loading...

HTH-type transcriptional regulator ptxR

AlphaFold DB , UniProt , Accession A0A077ZC65, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 264 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	75.9	Confident	91.8	Very high	246 Å²	246	98.8 Å²	98.8	100%	1.212	56%	0.558	S	S	*	*				0	136.1	0	-93.9	-157	-80.2	0	0	108.6
2	L	83	Confident	92	Very high	104 Å²	104	104.1 Å²	104.1	55%	0.545	56%	0.564	S	S	.	*			trans	-72	149	171	-77.6	151.6	0	0	0	110	L10	L2-L10 HydrophobicContact CD1-CD1 4.35Å; L2-L10 HydrophobicContact CD1-CD2 4.4Å
3	T	93.9	Very high	92.3	Very high	88 Å²	88	102.1 Å²	102.1	54%	0.54	55%	0.552	S	S	.	*			trans	-68.3	160	169.5	62.1	0	0	0	0	109.9	F5 G6 T7	T3-F5 PolarHBondContact O-N 3.1Å; T3-G6 CarbonylContact O-C 3.56Å; T3-G6 WeakPolarHBondContact O-CA 3.5Å; T3-G6 PolarHBondContact O-N 2.9Å; T3-G6 PolarHBondContact OG1-N 2.87Å; T3-T7 PolarHBondContact O-N 3.45Å; T3-T7 PolarHBondContact O-OG1 3.12Å
4	P	92.9	Very high	92.5	Very high	118 Å²	118	100.1 Å²	100.1	77%	0.766	54%	0.541	S	S	*	.	H	α-helix	trans	-53	-38	173.7	-27.8	35.4	0	0	0	113.2	T7 A8	P4-T7 PolarHBondContact O-N 3.37Å; P4-A8 WeakPolarHBondContact O-CB 3.48Å; P4-A8 PolarHBondContact O-N 3.02Å; P4-A8 VanDerWaalsContact O-N 3.08Å
5	F	94.8	Very high	92.8	Very high	149 Å²	149	98.1 Å²	98.1	65%	0.654	53%	0.53	S	S	*	.	H	α-helix	trans	-63.6	-45.5	171.7	179.7	-100.9	0	0	0	112	T3 T7 A8 L9	T3-F5 PolarHBondContact O-N 3.1Å; F5-T7 PolarHBondContact O-N 2.74Å; F5-A8 PolarHBondContact O-N 3.28Å; F5-L9 HydrophobicContact CE1-CB 4.48Å; F5-L9 HydrophobicContact CE1-CD2 3.84Å; F5-L9 HydrophobicContact CZ-CD2 4.29Å; F5-L9 VanDerWaalsContact O-CB 3.31Å; F5-L9 WeakPolarHBondContact O-CB 3.42Å; F5-L9 PolarHBondContact O-N 3.28Å
6	G	94.2	Very high	92.9	Very high	12 Å²	12	100.5 Å²	100.5	12%	0.124	54%	0.539	C	S	.	.	H	α-helix	trans	-60	-41.9	176	0	0	0	0	0	113.1	T3 A8 L9 L10	T3-G6 CarbonylContact O-C 3.56Å; T3-G6 WeakPolarHBondContact O-CA 3.5Å; T3-G6 PolarHBondContact O-N 2.9Å; T3-G6 PolarHBondContact OG1-N 2.87Å; G6-A8 VanDerWaalsContact C-N 3.32Å; G6-A8 PolarHBondContact O-N 2.8Å; G6-L9 PolarHBondContact O-N 3Å; G6-L10 WeakPolarHBondContact O-CB 3.39Å; G6-L10 PolarHBondContact O-N 3.36Å
7	T	95	Very high	93.1	Very high	87 Å²	87	100.8 Å²	100.8	53%	0.534	54%	0.54	S	S	.	.	H	α-helix	trans	-64.4	-36.2	175.2	-53.9	0	0	0	0	112	T3 P4 F5 P11	T3-T7 PolarHBondContact O-N 3.45Å; T3-T7 PolarHBondContact O-OG1 3.12Å; P4-T7 PolarHBondContact O-N 3.37Å; F5-T7 PolarHBondContact O-N 2.74Å; T7-P11 WeakPolarHBondContact O-CD 3.37Å
8	A	94.3	Very high	93.1	Very high	60 Å²	60	100.1 Å²	100.1	50%	0.496	54%	0.536	S	S	.	.	H	α-helix	trans	-75.7	-30.9	175.4	0	0	0	0	0	113.2	P4 F5 G6 P11 Y12	P4-A8 WeakPolarHBondContact O-CB 3.48Å; P4-A8 PolarHBondContact O-N 3.02Å; P4-A8 VanDerWaalsContact O-N 3.08Å; F5-A8 PolarHBondContact O-N 3.28Å; G6-A8 VanDerWaalsContact C-N 3.32Å; G6-A8 PolarHBondContact O-N 2.8Å; A8-P11 WeakPolarHBondContact O-CD 3.46Å; A8-Y12 VanDerWaalsContact O-CD2 3.24Å; A8-Y12 WeakPolarHBondContact O-CD2 3.41Å; A8-Y12 VanDerWaalsContact O-CE2 3.3Å; A8-Y12 WeakPolarHBondContact O-CE2 2.96Å
9	L	95.2	Very high	93.1	Very high	67 Å²	67	102.9 Å²	102.9	35%	0.351	54%	0.538	S	S	.	.	H	α-helix	trans	-79.7	-35.6	-179.6	-178.1	63.7	0	0	0	112.9	F5 G6 P11 Y12 I13	F5-L9 HydrophobicContact CE1-CB 4.48Å; F5-L9 HydrophobicContact CE1-CD2 3.84Å; F5-L9 HydrophobicContact CZ-CD2 4.29Å; F5-L9 VanDerWaalsContact O-CB 3.31Å; F5-L9 WeakPolarHBondContact O-CB 3.42Å; F5-L9 PolarHBondContact O-N 3.28Å; G6-L9 PolarHBondContact O-N 3Å; L9-P11 VanDerWaalsContact C-CD 3.45Å; L9-Y12 WeakPolarHBondContact O-CB 3.01Å; L9-Y12 PolarHBondContact O-N 3.48Å; L9-I13 HydrophobicContact CD1-CG1 4.46Å; L9-I13 HydrophobicContact CD2-CD1 3.91Å; L9-I13 HydrophobicContact CG-CD1 3.82Å; L9-I13 HydrophobicContact CG-CG1 4.14Å; L9-I13 PolarHBondContact O-N 3.14Å
10	L	95.3	Very high	93.1	Very high	76 Å²	76	102.2 Å²	102.2	40%	0.398	54%	0.535	S	S	.	.	H	α-helix	trans	-51.4	-44.4	-174	-163.1	88.1	0	0	0	113.9	L2 G6 Y12 I13 N14	L2-L10 HydrophobicContact CD1-CD1 4.35Å; L2-L10 HydrophobicContact CD1-CD2 4.4Å; G6-L10 WeakPolarHBondContact O-CB 3.39Å; G6-L10 PolarHBondContact O-N 3.36Å; L10-Y12 VanDerWaalsContact C-N 3.28Å; L10-Y12 PolarHBondContact O-N 2.87Å; L10-I13 PolarHBondContact O-N 2.85Å; L10-N14 PolarHBondContact O-N 3.5Å
11	P	95.1	Very high	93.1	Very high	80 Å²	80	102.8 Å²	102.8	52%	0.519	54%	0.535	S	S	.	.	H	α-helix	trans	-61.3	-34.9	178.7	-22.7	34.8	0	0	0	113.3	T7 A8 L9 D15	T7-P11 WeakPolarHBondContact O-CD 3.37Å; A8-P11 WeakPolarHBondContact O-CD 3.46Å; L9-P11 VanDerWaalsContact C-CD 3.45Å; P11-D15 PolarHBondContact O-N 3.28Å
12	Y	95	Very high	93.8	Very high	162 Å²	162	97.4 Å²	97.4	64%	0.635	51%	0.507	S	S	*	.	H	α-helix	trans	-70.8	-40	178.4	-63.9	-85.3	0	0	0	112.1	A8 L9 L10 M16	A8-Y12 VanDerWaalsContact O-CD2 3.24Å; A8-Y12 WeakPolarHBondContact O-CD2 3.41Å; A8-Y12 VanDerWaalsContact O-CE2 3.3Å; A8-Y12 WeakPolarHBondContact O-CE2 2.96Å; L9-Y12 WeakPolarHBondContact O-CB 3.01Å; L9-Y12 PolarHBondContact O-N 3.48Å; L10-Y12 VanDerWaalsContact C-N 3.28Å; L10-Y12 PolarHBondContact O-N 2.87Å; Y12-M16 WeakPolarHBondContact O-CG 3.31Å; Y12-M16 PolarHBondContact O-N 2.9Å; Y12-M16 VanDerWaalsContact O-N 3.09Å
13	I	95.6	Very high	94.2	Very high	78 Å²	78	96.9 Å²	96.9	40%	0.4	50%	0.504	S	S	.	.	H	α-helix	trans	-64	-44.3	175.5	-67.5	176.2	0	0	0	110	L9 L10 M16 L17	L9-I13 HydrophobicContact CD1-CG1 4.46Å; L9-I13 HydrophobicContact CD2-CD1 3.91Å; L9-I13 HydrophobicContact CG-CD1 3.82Å; L9-I13 HydrophobicContact CG-CG1 4.14Å; L9-I13 PolarHBondContact O-N 3.14Å; L10-I13 PolarHBondContact O-N 2.85Å; I13-M16 PolarHBondContact O-N 3.12Å; I13-L17 HydrophobicContact CG2-CD1 3.96Å; I13-L17 HydrophobicContact CG2-CG 4.39Å; I13-L17 WeakPolarHBondContact O-CG 3.31Å; I13-L17 PolarHBondContact O-N 3.28Å
14	N	95.6	Very high	94	Very high	74 Å²	74	96.7 Å²	96.7	40%	0.396	50%	0.5	S	S	.	.	H	α-helix	trans	-63.1	-45.7	178.5	-69.9	-12.6	0	0	0	111.8	L10 M16 L17 D18	L10-N14 PolarHBondContact O-N 3.5Å; N14-M16 VanDerWaalsContact C-N 3.3Å; N14-M16 PolarHBondContact O-N 3.28Å; N14-L17 PolarHBondContact O-N 2.97Å; N14-L17 VanDerWaalsContact O-N 3.17Å; N14-D18 WeakPolarHBondContact O-CB 3.49Å; N14-D18 VanDerWaalsContact O-CG 3.26Å; N14-D18 PolarHBondContact O-N 3.23Å
15	D	95.7	Very high	93.7	Very high	70 Å²	70	95.1 Å²	95.1	37%	0.374	49%	0.485	S	S	.	.	H	α-helix	trans	-59.5	-39.1	175.8	-177.5	45	0	0	0	112	P11 R19	P11-D15 PolarHBondContact O-N 3.28Å; D15-R19 WeakPolarHBondContact O-CB 3.46Å; D15-R19 VanDerWaalsContact O-CG 3.23Å; D15-R19 WeakPolarHBondContact O-CG 3.43Å; D15-R19 PolarHBondContact O-N 3.4Å; D15-R19 IonicContact OD1-CZ 3.96Å; D15-R19 IonicContact OD1-NE 3.54Å; D15-R19 PolarHBondContact OD1-NE 3.17Å; D15-R19 IonicContact OD1-NH2 2.67Å; D15-R19 IonicContact OD2-CZ 2.81Å; D15-R19 VanDerWaalsContact OD2-CZ 3.3Å; D15-R19 IonicContact OD2-NE 3.51Å; D15-R19 PolarHBondContact OD2-NE 2.79Å; D15-R19 VanDerWaalsContact OD2-NE 3.16Å; D15-R19 IonicContact OD2-NH2 2.64Å; D15-R19 PolarHBondContact OD2-NH2 3.4Å
16	M	95.3	Very high	93.3	Very high	137 Å²	137	94.7 Å²	94.7	68%	0.675	48%	0.483	S	S	*	.	H	α-helix	trans	-66.6	-40.4	175.5	-74.1	-174.1	-179.1	0	0	113.1	Y12 I13 N14 N20	Y12-M16 WeakPolarHBondContact O-CG 3.31Å; Y12-M16 PolarHBondContact O-N 2.9Å; Y12-M16 VanDerWaalsContact O-N 3.09Å; I13-M16 PolarHBondContact O-N 3.12Å; N14-M16 VanDerWaalsContact C-N 3.3Å; N14-M16 PolarHBondContact O-N 3.28Å; M16-N20 WeakPolarHBondContact O-CB 3.41Å; M16-N20 PolarHBondContact O-N 3.43Å
17	L	95.7	Very high	92.9	Very high	106 Å²	106	97.4 Å²	97.4	56%	0.555	49%	0.494	S	S	*	.	H	α-helix	trans	-67.5	-44.2	176.9	-70.6	173.5	0	0	0	111.4	I13 N14 R19 N20 E21	I13-L17 HydrophobicContact CG2-CD1 3.96Å; I13-L17 HydrophobicContact CG2-CG 4.39Å; I13-L17 WeakPolarHBondContact O-CG 3.31Å; I13-L17 PolarHBondContact O-N 3.28Å; N14-L17 PolarHBondContact O-N 2.97Å; N14-L17 VanDerWaalsContact O-N 3.17Å; L17-R19 VanDerWaalsContact C-N 3.33Å; L17-R19 PolarHBondContact O-N 2.96Å; L17-N20 WeakPolarHBondContact O-CB 3.38Å; L17-N20 PolarHBondContact O-N 2.98Å; L17-N20 VanDerWaalsContact O-N 3.08Å; L17-E21 PolarHBondContact O-N 3.36Å
18	D	93.9	Very high	92.3	Very high	88 Å²	88	95.1 Å²	95.1	47%	0.471	48%	0.484	S	S	.	.	H	α-helix	trans	-60.3	-42.8	177.1	-69.9	-12	0	0	0	110.9	N14 N20 E21 Q22	N14-D18 WeakPolarHBondContact O-CB 3.49Å; N14-D18 VanDerWaalsContact O-CG 3.26Å; N14-D18 PolarHBondContact O-N 3.23Å; D18-N20 VanDerWaalsContact C-N 3.34Å; D18-N20 PolarHBondContact O-N 3.32Å; D18-E21 PolarHBondContact O-N 3.23Å; D18-Q22 WeakPolarHBondContact O-CG 3.46Å; D18-Q22 PolarHBondContact O-N 3.14Å
19	R	92	Very high	91.8	Very high	154 Å²	154	97.6 Å²	97.6	58%	0.581	49%	0.489	S	S	*	.	H	α-helix	trans	-64.3	-36.9	174	-72.9	176.7	-165.7	-151.7	10.7	112.6	D15 L17 L23	D15-R19 WeakPolarHBondContact O-CB 3.46Å; D15-R19 VanDerWaalsContact O-CG 3.23Å; D15-R19 WeakPolarHBondContact O-CG 3.43Å; D15-R19 PolarHBondContact O-N 3.4Å; D15-R19 IonicContact OD1-CZ 3.96Å; D15-R19 IonicContact OD1-NE 3.54Å; D15-R19 PolarHBondContact OD1-NE 3.17Å; D15-R19 IonicContact OD1-NH2 2.67Å; D15-R19 IonicContact OD2-CZ 2.81Å; D15-R19 VanDerWaalsContact OD2-CZ 3.3Å; D15-R19 IonicContact OD2-NE 3.51Å; D15-R19 PolarHBondContact OD2-NE 2.79Å; D15-R19 VanDerWaalsContact OD2-NE 3.16Å; D15-R19 IonicContact OD2-NH2 2.64Å; D15-R19 PolarHBondContact OD2-NH2 3.4Å; L17-R19 VanDerWaalsContact C-N 3.33Å; L17-R19 PolarHBondContact O-N 2.96Å; R19-L23 PolarHBondContact O-N 3.4Å
20	N	94.6	Very high	91.2	Very high	88 Å²	88	99.5 Å²	99.5	47%	0.471	49%	0.492	S	S	.	.	H	α-helix	trans	-66.3	-41.2	176	-166.2	-83.6	0	0	0	111.2	M16 L17 D18 L23 N24	M16-N20 WeakPolarHBondContact O-CB 3.41Å; M16-N20 PolarHBondContact O-N 3.43Å; L17-N20 WeakPolarHBondContact O-CB 3.38Å; L17-N20 PolarHBondContact O-N 2.98Å; L17-N20 VanDerWaalsContact O-N 3.08Å; D18-N20 VanDerWaalsContact C-N 3.34Å; D18-N20 PolarHBondContact O-N 3.32Å; N20-L23 WeakPolarHBondContact O-CB 3.49Å; N20-L23 PolarHBondContact O-N 2.88Å; N20-N24 PolarHBondContact O-N 3.49Å; N20-N24 PolarHBondContact O-ND2 3.24Å; N20-N24 PolarHBondContact OD1-ND2 2.92Å
21	E	92.7	Very high	90.7	Very high	115 Å²	115	99.7 Å²	99.7	54%	0.537	49%	0.49	S	S	.	.	H	α-helix	trans	-63.7	-44.5	175.3	-168.7	178.4	173.5	0	0	111.7	L17 D18 L23 N24 N25	L17-E21 PolarHBondContact O-N 3.36Å; D18-E21 PolarHBondContact O-N 3.23Å; E21-L23 VanDerWaalsContact C-N 3.3Å; E21-L23 PolarHBondContact O-N 2.93Å; E21-N24 PolarHBondContact O-N 2.87Å; E21-N24 VanDerWaalsContact O-N 3.17Å; E21-N25 WeakPolarHBondContact O-CB 3.39Å; E21-N25 PolarHBondContact O-N 3.27Å; E21-N25 PolarHBondContact O-ND2 3.4Å
22	Q	90.4	Very high	90.3	Very high	133 Å²	133	102.4 Å²	102.4	62%	0.621	50%	0.495	S	S	*	.	H	α-helix	trans	-58.1	-41.5	174.1	-72.9	175.1	16.2	0	0	112.3	D18 N25 F26	D18-Q22 WeakPolarHBondContact O-CG 3.46Å; D18-Q22 PolarHBondContact O-N 3.14Å; Q22-N25 PolarHBondContact O-N 2.8Å; Q22-F26 WeakPolarHBondContact O-CB 3.44Å; Q22-F26 PolarHBondContact O-N 2.88Å
23	L	91	Very high	89.8	Confident	92 Å²	92	97.2 Å²	97.2	48%	0.482	48%	0.477	S	S	.	.	H	α-helix	trans	-63.3	-45.3	175	176.1	62.7	0	0	0	111.6	R19 N20 E21 N25 F26 I27	R19-L23 PolarHBondContact O-N 3.4Å; N20-L23 WeakPolarHBondContact O-CB 3.49Å; N20-L23 PolarHBondContact O-N 2.88Å; E21-L23 VanDerWaalsContact C-N 3.3Å; E21-L23 PolarHBondContact O-N 2.93Å; L23-N25 VanDerWaalsContact C-N 3.33Å; L23-N25 PolarHBondContact O-N 3.32Å; L23-F26 PolarHBondContact O-N 3.08Å; L23-I27 HydrophobicContact CD1-CD1 4.09Å; L23-I27 HydrophobicContact CD1-CG1 4.35Å; L23-I27 HydrophobicContact CG-CD1 4.01Å; L23-I27 VanDerWaalsContact O-CG1 3.31Å; L23-I27 WeakPolarHBondContact O-CG1 3.38Å; L23-I27 PolarHBondContact O-N 3.5Å
24	N	89.5	Confident	89.5	Confident	85 Å²	85	100 Å²	100	46%	0.455	49%	0.486	S	S	.	.	H	α-helix	trans	-62.4	-41	177.9	-70.1	-34.8	0	0	0	111.6	N20 E21 I27 A28	N20-N24 PolarHBondContact O-N 3.49Å; N20-N24 PolarHBondContact O-ND2 3.24Å; N20-N24 PolarHBondContact OD1-ND2 2.92Å; E21-N24 PolarHBondContact O-N 2.87Å; E21-N24 VanDerWaalsContact O-N 3.17Å; N24-I27 PolarHBondContact O-N 3.13Å; N24-A28 WeakPolarHBondContact O-CB 3.24Å; N24-A28 PolarHBondContact O-N 3.3Å
25	N	86.9	Confident	89.3	Confident	85 Å²	85	103.8 Å²	103.8	46%	0.455	50%	0.495	S	S	.	.	H	α-helix	trans	-63.9	-44.7	175.2	-70.8	-22.4	0	0	0	111.4	E21 Q22 L23 I27 A28 D29	E21-N25 WeakPolarHBondContact O-CB 3.39Å; E21-N25 PolarHBondContact O-N 3.27Å; E21-N25 PolarHBondContact O-ND2 3.4Å; Q22-N25 PolarHBondContact O-N 2.8Å; L23-N25 VanDerWaalsContact C-N 3.33Å; L23-N25 PolarHBondContact O-N 3.32Å; N25-I27 VanDerWaalsContact C-N 3.33Å; N25-I27 PolarHBondContact O-N 2.79Å; N25-A28 PolarHBondContact O-N 3.09Å; N25-D29 WeakPolarHBondContact O-CB 3.32Å; N25-D29 VanDerWaalsContact O-CG 3.3Å; N25-D29 PolarHBondContact O-N 3.5Å
26	F	86.3	Confident	89.1	Confident	139 Å²	139	101.8 Å²	101.8	61%	0.61	49%	0.49	S	S	*	.	H	α-helix	trans	-59	-42.7	174.3	175.2	-97.8	0	0	0	112.4	Q22 L23 D29 Y30	Q22-F26 WeakPolarHBondContact O-CB 3.44Å; Q22-F26 PolarHBondContact O-N 2.88Å; L23-F26 PolarHBondContact O-N 3.08Å; F26-D29 PolarHBondContact O-N 3.05Å; F26-Y30 WeakPolarHBondContact O-CB 3Å; F26-Y30 PolarHBondContact O-N 3.14Å
27	I	85.2	Confident	89.1	Confident	69 Å²	69	102.5 Å²	102.5	35%	0.354	49%	0.485	S	S	.	.	H	α-helix	trans	-63.8	-43.1	175.7	-68.8	166.8	0	0	0	110.7	L23 N24 N25 Y30 K31	L23-I27 HydrophobicContact CD1-CD1 4.09Å; L23-I27 HydrophobicContact CD1-CG1 4.35Å; L23-I27 HydrophobicContact CG-CD1 4.01Å; L23-I27 VanDerWaalsContact O-CG1 3.31Å; L23-I27 WeakPolarHBondContact O-CG1 3.38Å; L23-I27 PolarHBondContact O-N 3.5Å; N24-I27 PolarHBondContact O-N 3.13Å; N25-I27 VanDerWaalsContact C-N 3.33Å; N25-I27 PolarHBondContact O-N 2.79Å; I27-Y30 PolarHBondContact O-N 3.1Å; I27-K31 HydrophobicContact CG2-CD 4.38Å; I27-K31 WeakPolarHBondContact O-CG 3.37Å; I27-K31 PolarHBondContact O-N 3.09Å
28	A	82.6	Confident	89.2	Confident	39 Å²	39	97.5 Å²	97.5	32%	0.322	46%	0.459	S	S	.	.	H	α-helix	trans	-63.5	-46.1	177.8	0	0	0	0	0	111.4	N24 N25 Y30 K31 H32	N24-A28 WeakPolarHBondContact O-CB 3.24Å; N24-A28 PolarHBondContact O-N 3.3Å; N25-A28 PolarHBondContact O-N 3.09Å; A28-Y30 VanDerWaalsContact C-N 3.34Å; A28-Y30 PolarHBondContact O-N 2.82Å; A28-K31 PolarHBondContact O-N 3.32Å; A28-K31 VanDerWaalsContact O-N 3.15Å; A28-H32 PolarHBondContact O-CD2 2.79Å; A28-H32 PolarHBondContact O-N 2.76Å
29	D	84.4	Confident	89.4	Confident	113 Å²	113	93.6 Å²	93.6	60%	0.604	44%	0.439	S	S	*	.	H	α-helix	trans	-60	-44.4	176.2	-72.6	-17.7	0	0	0	111.2	N25 F26 K31 H32 E33	N25-D29 WeakPolarHBondContact O-CB 3.32Å; N25-D29 VanDerWaalsContact O-CG 3.3Å; N25-D29 PolarHBondContact O-N 3.5Å; F26-D29 PolarHBondContact O-N 3.05Å; D29-K31 VanDerWaalsContact C-N 3.34Å; D29-K31 PolarHBondContact O-N 3.18Å; D29-H32 CarbonylContact O-C 3.48Å; D29-H32 PolarHBondContact O-N 3.49Å; D29-E33 PolarHBondContact O-N 3.39Å
30	Y	83.7	Confident	89.7	Confident	107 Å²	107	86.3 Å²	86.3	42%	0.42	41%	0.411	S	S	.	.	H	α-helix	trans	-61.6	-40.8	175.1	-177.9	-105.3	0	0	0	112.2	F26 I27 A28 H32 E33 P230 R232	F26-Y30 WeakPolarHBondContact O-CB 3Å; F26-Y30 PolarHBondContact O-N 3.14Å; I27-Y30 PolarHBondContact O-N 3.1Å; A28-Y30 VanDerWaalsContact C-N 3.34Å; A28-Y30 PolarHBondContact O-N 2.82Å; Y30-H32 VanDerWaalsContact C-N 3.3Å; Y30-H32 PolarHBondContact O-N 3.45Å; Y30-E33 WeakPolarHBondContact O-CB 3.4Å; Y30-E33 PolarHBondContact O-N 3.25Å; Y30-P230 HydrophobicContact CD1-CG 4.16Å; Y30-P230 HydrophobicContact CE1-CG 3.5Å; Y30-P230 VanDerWaalsContact CE1-CG 3.5Å; Y30-P230 HydrophobicContact CE2-CG 4.48Å; Y30-R232 PolarHBondContact OH-NH2 3.31Å; Y30-R232 VanDerWaalsContact OH-NH2 3.13Å
31	K	84.2	Confident	89.9	Confident	80 Å²	80	83.4 Å²	83.4	35%	0.348	39%	0.394	S	S	.	.	H	α-helix	trans	-65.6	-32.8	175.5	-75.7	-177	-173.1	-169.2	0	112.5	I27 A28 D29 E227 W231	I27-K31 HydrophobicContact CG2-CD 4.38Å; I27-K31 WeakPolarHBondContact O-CG 3.37Å; I27-K31 PolarHBondContact O-N 3.09Å; A28-K31 PolarHBondContact O-N 3.32Å; A28-K31 VanDerWaalsContact O-N 3.15Å; D29-K31 VanDerWaalsContact C-N 3.34Å; D29-K31 PolarHBondContact O-N 3.18Å; K31-E227 WeakPolarHBondContact CE-O 3.46Å; K31-E227 PolarHBondContact NZ-O 2.93Å; K31-W231 WeakPolarHBondContact O-CB 3.39Å; K31-W231 PolarHBondContact O-N 3.17Å
32	H	85.8	Confident	90	Very high	136 Å²	136	78 Å²	78	63%	0.63	37%	0.368	S	S	*	.	H	α-helix	trans	-88.9	-0	178	-67.8	-57.2	0	0	0	113.8	A28 D29 Y30 K34	A28-H32 PolarHBondContact O-CD2 2.79Å; A28-H32 PolarHBondContact O-N 2.76Å; D29-H32 CarbonylContact O-C 3.48Å; D29-H32 PolarHBondContact O-N 3.49Å; Y30-H32 VanDerWaalsContact C-N 3.3Å; Y30-H32 PolarHBondContact O-N 3.45Å; H32-K34 PolarHBondContact O-N 3.46Å
33	E	84.4	Confident	90.2	Very high	54 Å²	54	72.1 Å²	72.1	25%	0.252	34%	0.342	S	S	.	.			trans	-66.7	117	-177.2	-163.1	178.1	-158.8	0	0	111.4	D29 Y30 R35 R232	D29-E33 PolarHBondContact O-N 3.39Å; Y30-E33 WeakPolarHBondContact O-CB 3.4Å; Y30-E33 PolarHBondContact O-N 3.25Å; E33-R35 VanDerWaalsContact C-N 3.34Å; E33-R35 HydrophobicContact CG-CG 3.71Å; E33-R35 WeakPolarHBondContact CG-O 3.43Å; E33-R35 WeakPolarHBondContact OE1-CG 3.46Å; E33-R35 IonicContact OE1-NE 3.37Å; E33-R35 PolarHBondContact OE1-NE 3.31Å; E33-R232 IonicContact OE2-NH1 2.79Å; E33-R232 PolarHBondContact OE2-NH1 2.87Å
34	K	89.2	Confident	90.2	Very high	137 Å²	137	69.6 Å²	69.6	60%	0.596	33%	0.331	S	S	*	.			trans	-89.6	2.7	179.9	-55.7	-168.5	176.1	178.6	0	114.4	H32 I64 W231	H32-K34 PolarHBondContact O-N 3.46Å; K34-I64 VanDerWaalsContact O-CG1 3.26Å; K34-I64 WeakPolarHBondContact O-CG1 3.39Å; K34-W231 HydrophobicContact CB-CE3 3.79Å; K34-W231 HydrophobicContact CB-CZ3 3.8Å; K34-W231 HydrophobicContact CD-CE3 4.18Å; K34-W231 HydrophobicContact CD-CH2 4.29Å; K34-W231 HydrophobicContact CD-CZ3 4.05Å; K34-W231 HydrophobicContact CG-CD2 4.03Å; K34-W231 HydrophobicContact CG-CE3 3.54Å; K34-W231 HydrophobicContact CG-CZ3 3.81Å
35	R	91.2	Very high	90.3	Very high	153 Å²	153	67.6 Å²	67.6	58%	0.577	33%	0.329	S	S	*	.			trans	-125.9	162.2	-178.8	66.5	177.7	-176.4	-172.3	-1.4	110.4	E33 D63 R232	E33-R35 VanDerWaalsContact C-N 3.34Å; E33-R35 HydrophobicContact CG-CG 3.71Å; E33-R35 WeakPolarHBondContact CG-O 3.43Å; E33-R35 WeakPolarHBondContact OE1-CG 3.46Å; E33-R35 IonicContact OE1-NE 3.37Å; E33-R35 PolarHBondContact OE1-NE 3.31Å; R35-D63 HydrophobicContact CB-CB 3.64Å; R35-R232 VanDerWaalsContact O-CD 3.27Å; R35-R232 WeakPolarHBondContact O-CD 3.26Å; R35-R232 PolarHBondContact O-NH1 2.71Å
36	G	92.4	Very high	90.6	Very high	27 Å²	27	64.8 Å²	64.8	28%	0.278	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	118.1	-168.1	177.7	0	0	0	0	0	112.3	D63 I64 T65	G36-D63 PolarHBondContact N-O 3.44Å; G36-I64 CarbonylContact O-C 3.07Å; G36-I64 VanDerWaalsContact O-CA 3.31Å; G36-I64 WeakPolarHBondContact O-CA 3.26Å; G36-T65 PolarHBondContact O-N 3.36Å
37	R	95.3	Very high	91.1	Very high	153 Å²	153	59 Å²	59	58%	0.577	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	143.2	-176.3	-172.4	169.9	-68.7	180	-0.7	111.5	T65 R232	R37-T65 CarbonylContact C-O 3.5Å; R37-T65 VanDerWaalsContact CA-O 3.31Å; R37-T65 WeakPolarHBondContact CA-O 3.26Å; R37-R232 PolarHBondContact O-NE 3.3Å; R37-R232 VanDerWaalsContact O-NE 3.08Å
38	V	97.3	Very high	91.5	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	120.2	163.1	179.1	0	0	0	0	108	I64 T65 L66 S67 D89 R232 V233 V236	V38-I64 HydrophobicContact CB-CG2 4.31Å; V38-I64 HydrophobicContact CG2-CG2 3.76Å; V38-T65 PolarHBondContact N-O 2.88Å; V38-L66 HydrophobicContact CB-CD2 3.97Å; V38-L66 HydrophobicContact CG1-CD2 4.37Å; V38-L66 WeakPolarHBondContact O-CA 3.4Å; V38-S67 PolarHBondContact O-N 3.31Å; V38-D89 VanDerWaalsContact CA-OD2 3.29Å; V38-D89 WeakPolarHBondContact CA-OD2 3.28Å; V38-D89 HydrophobicContact CG1-CB 4.02Å; V38-R232 HydrophobicContact CG2-CB 4.09Å; V38-R232 HydrophobicContact CG2-CG 3.89Å; V38-V233 HydrophobicContact CG1-CG2 4.38Å; V38-V233 HydrophobicContact CG2-CG2 3.99Å; V38-V236 HydrophobicContact CB-CG2 4.43Å; V38-V236 HydrophobicContact CG1-CB 4.17Å; V38-V236 HydrophobicContact CG1-CG1 4.01Å; V38-V236 HydrophobicContact CG1-CG2 4.45Å; V38-V236 HydrophobicContact CG2-CG2 4.16Å
39	T	98.2	Very high	92	Very high	7 Å²	7	61.1 Å²	61.1	4%	0.043	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	121.8	-178.3	-52.3	0	0	0	0	110.8	Y41 S67 K69 D87 D89 V90	T39-Y41 HydrophobicContact CG2-CD2 3.84Å; T39-Y41 HydrophobicContact CG2-CE2 3.5Å; T39-Y41 VanDerWaalsContact CG2-CE2 3.5Å; T39-S67 CarbonylContact C-O 3.58Å; T39-S67 WeakPolarHBondContact CA-O 3.31Å; T39-K69 HydrophobicContact CG2-CD 3.86Å; T39-K69 HydrophobicContact CG2-CG 4.35Å; T39-D87 WeakPolarHBondContact CB-O 3.35Å; T39-D87 PolarHBondContact OG1-O 3.32Å; T39-D89 PolarHBondContact N-OD2 3.24Å; T39-D89 WeakPolarHBondContact O-CB 3.31Å; T39-D89 PolarHBondContact O-N 3.1Å; T39-V90 PolarHBondContact O-N 3.11Å
40	I	98.3	Very high	92.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	121.8	178.2	-57.1	169.6	0	0	0	108.6	L50 I55 S67 L68 K69 V90 V236 M240	I40-L50 HydrophobicContact CG2-CD1 4.17Å; I40-I55 HydrophobicContact CD1-CD1 4.39Å; I40-S67 PolarHBondContact N-O 3.13Å; I40-L68 HydrophobicContact CB-CD2 3.97Å; I40-L68 HydrophobicContact CD1-CD2 3.91Å; I40-L68 HydrophobicContact CG1-CD2 4.39Å; I40-K69 PolarHBondContact O-N 3.16Å; I40-V90 CarbonylContact C-O 3.55Å; I40-V90 VanDerWaalsContact CA-O 3.26Å; I40-V90 WeakPolarHBondContact CA-O 3.44Å; I40-V90 HydrophobicContact CG1-CB 4.4Å; I40-V236 HydrophobicContact CD1-CG1 3.95Å; I40-M240 HydrophobicContact CD1-SD 4.01Å
41	Y	98.2	Very high	93.1	Very high	28 Å²	28	53.5 Å²	53.5	11%	0.11	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	143.3	170.3	-77.8	-93.3	0	0	0	111	T39 K69 C71 P85 D87 C88 V90 L91 I92	T39-Y41 HydrophobicContact CG2-CD2 3.84Å; T39-Y41 HydrophobicContact CG2-CE2 3.5Å; T39-Y41 VanDerWaalsContact CG2-CE2 3.5Å; Y41-K69 VanDerWaalsContact CA-O 3.28Å; Y41-K69 WeakPolarHBondContact CA-O 3.4Å; Y41-K69 HydrophobicContact CD1-CB 3.49Å; Y41-K69 VanDerWaalsContact CD1-CB 3.49Å; Y41-K69 HydrophobicContact CD1-CD 4.41Å; Y41-K69 HydrophobicContact CD2-CB 4.4Å; Y41-K69 HydrophobicContact CE1-CB 3.42Å; Y41-K69 VanDerWaalsContact CE1-CB 3.42Å; Y41-K69 HydrophobicContact CE1-CD 3.6Å; Y41-K69 HydrophobicContact CE1-CG 4.19Å; Y41-K69 HydrophobicContact CE2-CB 4.36Å; Y41-K69 HydrophobicContact CE2-CD 3.82Å; Y41-K69 HydrophobicContact CG-CB 4.04Å; Y41-K69 WeakPolarHBondContact OH-CD 3.37Å; Y41-K69 PolarHBondContact OH-NZ 3.01Å; Y41-K69 VanDerWaalsContact OH-NZ 3.15Å; Y41-C71 HydrophobicContact CD1-CB 3.72Å; Y41-C71 HydrophobicContact CG-CB 4.41Å; Y41-P85 HydrophobicContact CD1-CG 4.47Å; Y41-P85 HydrophobicContact CD2-CG 4.3Å; Y41-P85 HydrophobicContact CE1-CG 4.42Å; Y41-P85 HydrophobicContact CE2-CB 4.05Å; Y41-P85 HydrophobicContact CE2-CG 4.24Å; Y41-P85 HydrophobicContact CG-CG 4.37Å; Y41-D87 VanDerWaalsContact CE2-OD1 3.24Å; Y41-D87 WeakPolarHBondContact CE2-OD1 3.47Å; Y41-D87 PolarHBondContact OH-OD1 3.11Å; Y41-D87 PolarHBondContact OH-OD2 3.04Å; Y41-C88 HydrophobicContact CD2-CB 3.61Å; Y41-C88 HydrophobicContact CE2-CB 3.92Å; Y41-V90 PolarHBondContact N-O 3.13Å; Y41-L91 CarbonylContact O-C 3.54Å; Y41-L91 WeakPolarHBondContact O-CA 3.29Å; Y41-I92 PolarHBondContact O-N 3.49Å
42	A	96.5	Very high	93.6	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	166.9	168.7	0	0	0	0	0	111.1	I46 I47 K69 T70 C71 I92	A42-I46 HydrophobicContact CB-CB 3.79Å; A42-I46 HydrophobicContact CB-CG2 3.62Å; A42-I47 HydrophobicContact CB-CD1 3.66Å; A42-I47 HydrophobicContact CB-CG1 3.88Å; A42-I47 WeakPolarHBondContact O-CG1 3.45Å; A42-K69 PolarHBondContact N-O 2.85Å; A42-K69 VanDerWaalsContact N-O 3.13Å; A42-T70 CarbonylContact O-C 3.53Å; A42-T70 VanDerWaalsContact O-CA 3.25Å; A42-T70 WeakPolarHBondContact O-CA 3.48Å; A42-C71 CarbonylContact C-O 3.44Å; A42-C71 PolarHBondContact O-N 2.81Å; A42-I92 WeakPolarHBondContact CA-O 3.34Å; A42-I92 HydrophobicContact CB-CB 3.8Å; A42-I92 HydrophobicContact CB-CG1 4.4Å
43	P	93.2	Very high	94	Very high	11 Å²	11	53.5 Å²	53.5	7%	0.071	27%	0.265	C	S	.	.			trans	-56.1	150.6	167.2	-27.9	36.6	0	0	0	112	G45 I46 I47 C71 I92 Y94	P43-G45 VanDerWaalsContact C-N 3.32Å; P43-G45 PolarHBondContact O-N 2.87Å; P43-G45 VanDerWaalsContact O-N 3.16Å; P43-I46 HydrophobicContact CB-CG1 4.48Å; P43-I46 WeakPolarHBondContact O-CA 3.5Å; P43-I46 WeakPolarHBondContact O-CB 3.32Å; P43-I46 PolarHBondContact O-N 3.06Å; P43-I47 PolarHBondContact O-N 3.16Å; P43-C71 WeakPolarHBondContact CA-O 3.24Å; P43-I92 WeakPolarHBondContact CD-O 3.38Å; P43-Y94 HydrophobicContact CB-CE2 3.92Å; P43-Y94 HydrophobicContact CG-CD2 4.19Å; P43-Y94 HydrophobicContact CG-CE1 4.47Å; P43-Y94 HydrophobicContact CG-CE2 3.51Å
44	T	92.6	Very high	94.6	Very high	39 Å²	39	50.9 Å²	50.9	24%	0.239	25%	0.253	C	S	.	.	H	α-helix	trans	-49.2	-48.1	-172.8	-58.4	0	0	0	0	113.7	I46 I47 T48 T70	T44-I46 VanDerWaalsContact C-N 3.28Å; T44-I46 PolarHBondContact O-N 2.9Å; T44-I47 PolarHBondContact O-N 2.73Å; T44-T48 PolarHBondContact O-N 3.32Å; T44-T48 PolarHBondContact O-OG1 3.38Å; T44-T48 VanDerWaalsContact O-OG1 3.11Å; T44-T70 HydrophobicContact CG2-CG2 4.45Å
45	G	90.4	Very high	94.9	Very high	42 Å²	42	45.8 Å²	45.8	43%	0.433	23%	0.232	S	C	.	.	H	α-helix	trans	-62.1	-34.5	179.9	0	0	0	0	0	113.4	P43 Y49	P43-G45 VanDerWaalsContact C-N 3.32Å; P43-G45 PolarHBondContact O-N 2.87Å; P43-G45 VanDerWaalsContact O-N 3.16Å; G45-Y49 WeakPolarHBondContact O-CB 3.49Å; G45-Y49 PolarHBondContact O-N 3.4Å
46	I	93.9	Very high	94.9	Very high	26 Å²	26	42.9 Å²	42.9	13%	0.133	23%	0.228	C	C	.	.	H	α-helix	trans	-72.5	-43.2	176.5	-58.9	-59.9	0	0	0	110.5	A42 P43 T44 T48 Y49 L50 I92 Y94 L219	A42-I46 HydrophobicContact CB-CB 3.79Å; A42-I46 HydrophobicContact CB-CG2 3.62Å; P43-I46 HydrophobicContact CB-CG1 4.48Å; P43-I46 WeakPolarHBondContact O-CA 3.5Å; P43-I46 WeakPolarHBondContact O-CB 3.32Å; P43-I46 PolarHBondContact O-N 3.06Å; T44-I46 VanDerWaalsContact C-N 3.28Å; T44-I46 PolarHBondContact O-N 2.9Å; I46-T48 VanDerWaalsContact C-N 3.29Å; I46-T48 PolarHBondContact O-N 3.19Å; I46-Y49 WeakPolarHBondContact O-CB 3.34Å; I46-Y49 PolarHBondContact O-N 2.97Å; I46-Y49 VanDerWaalsContact O-N 3.15Å; I46-L50 HydrophobicContact CG2-CD1 4.12Å; I46-L50 HydrophobicContact CG2-CG 4.16Å; I46-L50 WeakPolarHBondContact O-CB 3.33Å; I46-L50 VanDerWaalsContact O-CG 3.3Å; I46-L50 WeakPolarHBondContact O-CG 3.49Å; I46-L50 PolarHBondContact O-N 2.89Å; I46-I92 HydrophobicContact CG2-CB 4.09Å; I46-I92 HydrophobicContact CG2-CG2 3.83Å; I46-Y94 HydrophobicContact CD1-CE1 4.26Å; I46-Y94 HydrophobicContact CG1-CE1 4.08Å; I46-Y94 WeakPolarHBondContact CG1-OH 3.47Å; I46-L219 HydrophobicContact CD1-CD1 4.14Å; I46-L219 HydrophobicContact CD1-CD2 4.43Å; I46-L219 HydrophobicContact CG1-CD1 4.45Å
47	I	95.9	Very high	95	Very high	17 Å²	17	46.2 Å²	46.2	9%	0.087	23%	0.234	C	C	.	.	H	α-helix	trans	-58.3	-43.1	174.3	-68.4	-58.9	0	0	0	111.1	A42 P43 T44 L50 S51 L68 K69 T70	A42-I47 HydrophobicContact CB-CD1 3.66Å; A42-I47 HydrophobicContact CB-CG1 3.88Å; A42-I47 WeakPolarHBondContact O-CG1 3.45Å; P43-I47 PolarHBondContact O-N 3.16Å; T44-I47 PolarHBondContact O-N 2.73Å; I47-L50 PolarHBondContact O-N 2.64Å; I47-S51 VanDerWaalsContact O-CB 3.31Å; I47-S51 WeakPolarHBondContact O-CB 3.45Å; I47-S51 PolarHBondContact O-N 2.84Å; I47-S51 PolarHBondContact O-OG 2.98Å; I47-L68 HydrophobicContact CD1-CB 4.39Å; I47-L68 HydrophobicContact CG2-CB 4.23Å; I47-K69 VanDerWaalsContact CD1-O 3.31Å; I47-K69 WeakPolarHBondContact CD1-O 3.37Å; I47-K69 WeakPolarHBondContact CG1-O 3.37Å; I47-T70 HydrophobicContact CB-CG2 4.22Å; I47-T70 HydrophobicContact CG1-CG2 4.03Å; I47-T70 HydrophobicContact CG2-CG2 4.4Å
48	T	93.6	Very high	94.9	Very high	84 Å²	84	39.7 Å²	39.7	52%	0.515	21%	0.211	S	C	.	.	H	α-helix	trans	-61.8	-44.8	174.9	-55.7	0	0	0	0	111.8	T44 I46 S51 K52	T44-T48 PolarHBondContact O-N 3.32Å; T44-T48 PolarHBondContact O-OG1 3.38Å; T44-T48 VanDerWaalsContact O-OG1 3.11Å; I46-T48 VanDerWaalsContact C-N 3.29Å; I46-T48 PolarHBondContact O-N 3.19Å; T48-S51 PolarHBondContact O-N 3.21Å; T48-K52 WeakPolarHBondContact O-CB 3.25Å; T48-K52 PolarHBondContact O-N 2.98Å
49	Y	93.7	Very high	94.5	Very high	70 Å²	70	46.9 Å²	46.9	28%	0.275	24%	0.242	S	C	.	.	H	α-helix	trans	-60.1	-50	176.1	168	-101.1	0	0	0	112	G45 I46 S51 K52 H53 V54 I244 Q247	G45-Y49 WeakPolarHBondContact O-CB 3.49Å; G45-Y49 PolarHBondContact O-N 3.4Å; I46-Y49 WeakPolarHBondContact O-CB 3.34Å; I46-Y49 PolarHBondContact O-N 2.97Å; I46-Y49 VanDerWaalsContact O-N 3.15Å; Y49-S51 VanDerWaalsContact C-N 3.33Å; Y49-S51 PolarHBondContact O-N 3.25Å; Y49-K52 PolarHBondContact O-N 3.18Å; Y49-H53 HydrophobicContact CD2-CB 4.3Å; Y49-H53 AromaticContact CD2-CD2 3.6Å; Y49-H53 HydrophobicContact CE2-CB 3.98Å; Y49-H53 AromaticContact CE2-CD2 3.92Å; Y49-H53 WeakPolarHBondContact O-CB 3.39Å; Y49-H53 PolarHBondContact O-N 3.46Å; Y49-V54 HydrophobicContact CD1-CG2 4.42Å; Y49-V54 HydrophobicContact CE1-CG2 3.79Å; Y49-I244 HydrophobicContact CE1-CG1 4.28Å; Y49-Q247 PolarHBondContact OH-OE1 3.29Å
50	L	95.9	Very high	94	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-57	-48.6	177.7	-69.2	178	0	0	0	110.6	I40 I46 I47 K52 V54 I55 I92 M240 I244	I40-L50 HydrophobicContact CG2-CD1 4.17Å; I46-L50 HydrophobicContact CG2-CD1 4.12Å; I46-L50 HydrophobicContact CG2-CG 4.16Å; I46-L50 WeakPolarHBondContact O-CB 3.33Å; I46-L50 VanDerWaalsContact O-CG 3.3Å; I46-L50 WeakPolarHBondContact O-CG 3.49Å; I46-L50 PolarHBondContact O-N 2.89Å; I47-L50 PolarHBondContact O-N 2.64Å; L50-K52 VanDerWaalsContact C-N 3.3Å; L50-K52 PolarHBondContact O-N 2.91Å; L50-V54 HydrophobicContact CD2-CB 4.05Å; L50-V54 HydrophobicContact CD2-CG1 4.21Å; L50-V54 HydrophobicContact CD2-CG2 3.98Å; L50-V54 WeakPolarHBondContact O-CA 3.19Å; L50-V54 WeakPolarHBondContact O-CB 3.09Å; L50-V54 PolarHBondContact O-N 2.8Å; L50-I55 HydrophobicContact CB-CG1 4.27Å; L50-I55 WeakPolarHBondContact O-CG1 3.47Å; L50-I55 PolarHBondContact O-N 3.05Å; L50-I92 HydrophobicContact CD1-CG1 4.36Å; L50-M240 HydrophobicContact CD1-SD 4.11Å; L50-M240 HydrophobicContact CD2-CG 4.08Å; L50-M240 HydrophobicContact CD2-SD 3.94Å; L50-I244 HydrophobicContact CD2-CD1 3.85Å; L50-I244 HydrophobicContact CD2-CG1 4.39Å
51	S	95.5	Very high	93.5	Very high	58 Å²	58	56 Å²	56	41%	0.406	29%	0.29	S	S	.	.	H	α-helix	trans	-61.4	-37.8	-178.3	-57	0	0	0	0	112.8	I47 T48 Y49 L68	I47-S51 VanDerWaalsContact O-CB 3.31Å; I47-S51 WeakPolarHBondContact O-CB 3.45Å; I47-S51 PolarHBondContact O-N 2.84Å; I47-S51 PolarHBondContact O-OG 2.98Å; T48-S51 PolarHBondContact O-N 3.21Å; Y49-S51 VanDerWaalsContact C-N 3.33Å; Y49-S51 PolarHBondContact O-N 3.25Å; S51-L68 VanDerWaalsContact OG-CD1 3.29Å; S51-L68 WeakPolarHBondContact OG-CD1 3.35Å
52	K	93.8	Very high	93.1	Very high	144 Å²	144	57.6 Å²	57.6	63%	0.626	32%	0.315	S	S	*	.	H	α-helix	trans	-85.1	-31.1	-174.6	-173.6	175.9	174.1	-173.8	0	113.5	T48 Y49 L50	T48-K52 WeakPolarHBondContact O-CB 3.25Å; T48-K52 PolarHBondContact O-N 2.98Å; Y49-K52 PolarHBondContact O-N 3.18Å; L50-K52 VanDerWaalsContact C-N 3.3Å; L50-K52 PolarHBondContact O-N 2.91Å
53	H	94.3	Very high	92.9	Very high	72 Å²	72	63.6 Å²	63.6	33%	0.333	35%	0.347	S	S	.	.	H	α-helix	trans	-124.7	-22	-166	-62.8	-65.9	0	0	0	114.6	Y49 Q247	Y49-H53 HydrophobicContact CD2-CB 4.3Å; Y49-H53 AromaticContact CD2-CD2 3.6Å; Y49-H53 HydrophobicContact CE2-CB 3.98Å; Y49-H53 AromaticContact CE2-CD2 3.92Å; Y49-H53 WeakPolarHBondContact O-CB 3.39Å; Y49-H53 PolarHBondContact O-N 3.46Å; H53-Q247 PolarHBondContact O-NE2 2.98Å
54	V	96.4	Very high	93.1	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-52.7	-168.8	180	0	0	0	0	111.4	Y49 L50 D56 K57 M240 E243 I244	Y49-V54 HydrophobicContact CD1-CG2 4.42Å; Y49-V54 HydrophobicContact CE1-CG2 3.79Å; L50-V54 HydrophobicContact CD2-CB 4.05Å; L50-V54 HydrophobicContact CD2-CG1 4.21Å; L50-V54 HydrophobicContact CD2-CG2 3.98Å; L50-V54 WeakPolarHBondContact O-CA 3.19Å; L50-V54 WeakPolarHBondContact O-CB 3.09Å; L50-V54 PolarHBondContact O-N 2.8Å; V54-D56 VanDerWaalsContact C-N 3.29Å; V54-D56 PolarHBondContact O-N 2.83Å; V54-K57 WeakPolarHBondContact O-CB 3.49Å; V54-K57 PolarHBondContact O-N 2.92Å; V54-M240 HydrophobicContact CG1-CB 4.28Å; V54-M240 HydrophobicContact CG1-CG 3.72Å; V54-E243 HydrophobicContact CB-CG 4.38Å; V54-E243 HydrophobicContact CG1-CB 4.06Å; V54-E243 HydrophobicContact CG1-CG 4.09Å; V54-E243 HydrophobicContact CG2-CG 4.43Å; V54-I244 HydrophobicContact CG1-CG1 4.22Å; V54-I244 HydrophobicContact CG2-CG1 3.81Å
55	I	95.5	Very high	93.2	Very high	30 Å²	30	65.4 Å²	65.4	15%	0.154	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-64.5	-34.4	-171.1	-61	-58.3	0	0	0	111.9	I40 L50 K57 I58 L66 L68	I40-I55 HydrophobicContact CD1-CD1 4.39Å; L50-I55 HydrophobicContact CB-CG1 4.27Å; L50-I55 WeakPolarHBondContact O-CG1 3.47Å; L50-I55 PolarHBondContact O-N 3.05Å; I55-K57 PolarHBondContact O-N 3.06Å; I55-I58 HydrophobicContact CD1-CD1 3.91Å; I55-I58 PolarHBondContact O-N 3.4Å; I55-L66 HydrophobicContact CD1-CD1 4.23Å; I55-L66 HydrophobicContact CG2-CD1 3.77Å; I55-L68 HydrophobicContact CD1-CD2 4.29Å; I55-L68 HydrophobicContact CG1-CD1 4.14Å; I55-L68 HydrophobicContact CG1-CD2 4.4Å
56	D	92.3	Very high	93.5	Very high	92 Å²	92	65.2 Å²	65.2	49%	0.492	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-68.9	-14.1	176.9	76.6	-48.8	0	0	0	113.5	V54	V54-D56 VanDerWaalsContact C-N 3.29Å; V54-D56 PolarHBondContact O-N 2.83Å
57	K	94.7	Very high	93.7	Very high	97 Å²	97	65 Å²	65	42%	0.422	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-94.9	-11.6	178.7	-52.9	-50.3	-178.4	-151.2	0	113.8	V54 I55 K59 E243	V54-K57 WeakPolarHBondContact O-CB 3.49Å; V54-K57 PolarHBondContact O-N 2.92Å; I55-K57 PolarHBondContact O-N 3.06Å; K57-K59 PolarHBondContact O-N 3.26Å; K57-K59 VanDerWaalsContact O-N 3.1Å; K57-E243 HydrophobicContact CB-CG 3.93Å; K57-E243 HydrophobicContact CG-CG 4.08Å
58	I	93.4	Very high	93.7	Very high	15 Å²	15	66.8 Å²	66.8	8%	0.077	36%	0.357	C	S	.	.			trans	-70.6	107	175.9	-57.6	179.3	0	0	0	107.8	I55 Y235 E239 M240	I55-I58 HydrophobicContact CD1-CD1 3.91Å; I55-I58 PolarHBondContact O-N 3.4Å; I58-Y235 HydrophobicContact CG2-CE1 4.24Å; I58-E239 HydrophobicContact CG1-CB 4.17Å; I58-E239 HydrophobicContact CG2-CB 4.02Å; I58-E239 HydrophobicContact CG2-CG 4.42Å; I58-M240 HydrophobicContact CD1-CB 4.44Å
59	K	88.6	Confident	93.9	Very high	151 Å²	151	66.1 Å²	66.1	66%	0.657	35%	0.347	S	S	*	.			trans	-77	169.6	175.7	-63.7	-174.5	179.9	-179.7	0	109.7	K57 I61 Y235	K57-K59 PolarHBondContact O-N 3.26Å; K57-K59 VanDerWaalsContact O-N 3.1Å; K59-I61 PolarHBondContact O-N 3.27Å; K59-Y235 PolarHBondContact O-OH 2.82Å
60	D	86.4	Confident	94	Very high	140 Å²	140	66.7 Å²	66.7	75%	0.749	36%	0.358	S	S	*	.			trans	50.3	32.3	167.4	-50	-42.9	0	0	0	116.3	G62	D60-G62 PolarHBondContact O-N 2.7Å; D60-G62 VanDerWaalsContact O-N 3.12Å
61	I	89.3	Confident	93.8	Very high	58 Å²	58	68.3 Å²	68.3	30%	0.297	37%	0.369	S	S	.	.			trans	-62	-20.7	-179.7	-163.3	162.3	0	0	0	113.3	K59 D63 I64 L66	K59-I61 PolarHBondContact O-N 3.27Å; I61-D63 PolarHBondContact O-N 2.67Å; I61-I64 HydrophobicContact CG1-CB 3.95Å; I61-I64 WeakPolarHBondContact O-CB 3.28Å; I61-I64 VanDerWaalsContact O-CG1 3.24Å; I61-I64 WeakPolarHBondContact O-CG1 3.31Å; I61-I64 PolarHBondContact O-N 2.88Å; I61-L66 HydrophobicContact CD1-CD1 3.4Å; I61-L66 VanDerWaalsContact CD1-CD1 3.4Å; I61-L66 HydrophobicContact CD1-CG 3.74Å
62	G	89.1	Confident	93.4	Very high	62 Å²	62	67.4 Å²	67.4	64%	0.639	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	-129.6	176.4	0	0	0	0	0	112.7	D60 I64	D60-G62 PolarHBondContact O-N 2.7Å; D60-G62 VanDerWaalsContact O-N 3.12Å; G62-I64 VanDerWaalsContact C-N 3.28Å; G62-I64 PolarHBondContact O-N 2.93Å
63	D	93	Very high	93	Very high	126 Å²	126	61.2 Å²	61.2	67%	0.674	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	24	178.9	-64.4	-28	0	0	0	112.6	R35 G36 I61	R35-D63 HydrophobicContact CB-CB 3.64Å; G36-D63 PolarHBondContact N-O 3.44Å; I61-D63 PolarHBondContact O-N 2.67Å
64	I	95.7	Very high	92.5	Very high	11 Å²	11	63.8 Å²	63.8	6%	0.056	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	121.5	175.1	-58	170.1	0	0	0	109.3	K34 G36 V38 I61 G62 L66 W231 R232 Y235 V236	K34-I64 VanDerWaalsContact O-CG1 3.26Å; K34-I64 WeakPolarHBondContact O-CG1 3.39Å; G36-I64 CarbonylContact O-C 3.07Å; G36-I64 VanDerWaalsContact O-CA 3.31Å; G36-I64 WeakPolarHBondContact O-CA 3.26Å; V38-I64 HydrophobicContact CB-CG2 4.31Å; V38-I64 HydrophobicContact CG2-CG2 3.76Å; I61-I64 HydrophobicContact CG1-CB 3.95Å; I61-I64 WeakPolarHBondContact O-CB 3.28Å; I61-I64 VanDerWaalsContact O-CG1 3.24Å; I61-I64 WeakPolarHBondContact O-CG1 3.31Å; I61-I64 PolarHBondContact O-N 2.88Å; G62-I64 VanDerWaalsContact C-N 3.28Å; G62-I64 PolarHBondContact O-N 2.93Å; I64-L66 HydrophobicContact CG2-CD2 4.2Å; I64-W231 HydrophobicContact CD1-CZ3 4.39Å; I64-R232 HydrophobicContact CD1-CB 3.68Å; I64-R232 HydrophobicContact CG1-CB 3.89Å; I64-Y235 HydrophobicContact CD1-CD1 4.07Å; I64-V236 HydrophobicContact CD1-CG2 4.31Å; I64-V236 HydrophobicContact CG2-CG2 4.11Å
65	T	95.8	Very high	91.8	Very high	78 Å²	78	68.3 Å²	68.3	48%	0.479	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	113.5	169.5	-58.8	0	0	0	0	109.6	G36 R37 V38	G36-T65 PolarHBondContact O-N 3.36Å; R37-T65 CarbonylContact C-O 3.5Å; R37-T65 VanDerWaalsContact CA-O 3.31Å; R37-T65 WeakPolarHBondContact CA-O 3.26Å; V38-T65 PolarHBondContact N-O 2.88Å
66	L	96.4	Very high	90.9	Very high	37 Å²	37	68.4 Å²	68.4	19%	0.194	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	125.3	171.8	-65.5	177.4	0	0	0	110.8	V38 I55 I61 I64 V236	V38-L66 HydrophobicContact CB-CD2 3.97Å; V38-L66 HydrophobicContact CG1-CD2 4.37Å; V38-L66 WeakPolarHBondContact O-CA 3.4Å; I55-L66 HydrophobicContact CD1-CD1 4.23Å; I55-L66 HydrophobicContact CG2-CD1 3.77Å; I61-L66 HydrophobicContact CD1-CD1 3.4Å; I61-L66 VanDerWaalsContact CD1-CD1 3.4Å; I61-L66 HydrophobicContact CD1-CG 3.74Å; I64-L66 HydrophobicContact CG2-CD2 4.2Å; L66-V236 HydrophobicContact CD2-CB 4.31Å; L66-V236 HydrophobicContact CD2-CG1 3.61Å; L66-V236 HydrophobicContact CD2-CG2 3.71Å
67	S	97.3	Very high	90.5	Very high	22 Å²	22	64.2 Å²	64.2	15%	0.154	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	101.6	173.4	174.4	0	0	0	0	109.1	V38 T39 I40	V38-S67 PolarHBondContact O-N 3.31Å; T39-S67 CarbonylContact C-O 3.58Å; T39-S67 WeakPolarHBondContact CA-O 3.31Å; I40-S67 PolarHBondContact N-O 3.13Å
68	L	97.6	Very high	90	Very high	55 Å²	55	61.1 Å²	61.1	29%	0.288	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	124.6	175.9	-53.6	-179.2	0	0	0	109.5	I40 I47 S51 I55	I40-L68 HydrophobicContact CB-CD2 3.97Å; I40-L68 HydrophobicContact CD1-CD2 3.91Å; I40-L68 HydrophobicContact CG1-CD2 4.39Å; I47-L68 HydrophobicContact CD1-CB 4.39Å; I47-L68 HydrophobicContact CG2-CB 4.23Å; S51-L68 VanDerWaalsContact OG-CD1 3.29Å; S51-L68 WeakPolarHBondContact OG-CD1 3.35Å; I55-L68 HydrophobicContact CD1-CD2 4.29Å; I55-L68 HydrophobicContact CG1-CD1 4.14Å; I55-L68 HydrophobicContact CG1-CD2 4.4Å
69	K	97.6	Very high	89.5	Confident	70 Å²	70	64.2 Å²	64.2	30%	0.304	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	142.6	-176.6	-69.2	-175.1	171.2	-174.1	0	111.2	T39 I40 Y41 A42 I47 D87	T39-K69 HydrophobicContact CG2-CD 3.86Å; T39-K69 HydrophobicContact CG2-CG 4.35Å; I40-K69 PolarHBondContact O-N 3.16Å; Y41-K69 VanDerWaalsContact CA-O 3.28Å; Y41-K69 WeakPolarHBondContact CA-O 3.4Å; Y41-K69 HydrophobicContact CD1-CB 3.49Å; Y41-K69 VanDerWaalsContact CD1-CB 3.49Å; Y41-K69 HydrophobicContact CD1-CD 4.41Å; Y41-K69 HydrophobicContact CD2-CB 4.4Å; Y41-K69 HydrophobicContact CE1-CB 3.42Å; Y41-K69 VanDerWaalsContact CE1-CB 3.42Å; Y41-K69 HydrophobicContact CE1-CD 3.6Å; Y41-K69 HydrophobicContact CE1-CG 4.19Å; Y41-K69 HydrophobicContact CE2-CB 4.36Å; Y41-K69 HydrophobicContact CE2-CD 3.82Å; Y41-K69 HydrophobicContact CG-CB 4.04Å; Y41-K69 WeakPolarHBondContact OH-CD 3.37Å; Y41-K69 PolarHBondContact OH-NZ 3.01Å; Y41-K69 VanDerWaalsContact OH-NZ 3.15Å; A42-K69 PolarHBondContact N-O 2.85Å; A42-K69 VanDerWaalsContact N-O 3.13Å; I47-K69 VanDerWaalsContact CD1-O 3.31Å; I47-K69 WeakPolarHBondContact CD1-O 3.37Å; I47-K69 WeakPolarHBondContact CG1-O 3.37Å; K69-D87 IonicContact NZ-OD2 3.68Å; K69-D87 PolarHBondContact NZ-OD2 3.17Å
70	T	95.5	Very high	89.4	Confident	82 Å²	82	62.6 Å²	62.6	50%	0.503	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	132.6	175.8	54.5	0	0	0	0	110.4	A42 T44 I47	A42-T70 CarbonylContact O-C 3.53Å; A42-T70 VanDerWaalsContact O-CA 3.25Å; A42-T70 WeakPolarHBondContact O-CA 3.48Å; T44-T70 HydrophobicContact CG2-CG2 4.45Å; I47-T70 HydrophobicContact CB-CG2 4.22Å; I47-T70 HydrophobicContact CG1-CG2 4.03Å; I47-T70 HydrophobicContact CG2-CG2 4.4Å
71	C	91.4	Very high	89.5	Confident	35 Å²	35	56 Å²	56	24%	0.236	30%	0.299	C	S	.	.			trans	-136	115	167.7	179.4	0	0	0	0	107.3	Y41 A42 P43	Y41-C71 HydrophobicContact CD1-CB 3.72Å; Y41-C71 HydrophobicContact CG-CB 4.41Å; A42-C71 CarbonylContact C-O 3.44Å; A42-C71 PolarHBondContact O-N 2.81Å; P43-C71 WeakPolarHBondContact CA-O 3.24Å
72	N	87.3	Confident	89.7	Confident	39 Å²	39	53.6 Å²	53.6	21%	0.209	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-87.3	147	171.5	-61.9	-36.6	0	0	0	108.3	E74 D173	N72-E74 PolarHBondContact O-N 3.07Å; N72-D173 VanDerWaalsContact CB-O 3.31Å; N72-D173 WeakPolarHBondContact CB-O 3.37Å; N72-D173 VanDerWaalsContact CG-O 3.29Å; N72-D173 PolarHBondContact ND2-O 2.92Å; N72-D173 PolarHBondContact ND2-OD2 3.47Å
73	L	85.5	Confident	89.9	Confident	13 Å²	13	56.3 Å²	56.3	7%	0.068	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-64.3	133	176.5	-73.5	174.3	0	0	0	109.5	A77 F78 V82 Y94 A95 S142	L73-A77 HydrophobicContact CB-CB 4.25Å; L73-A77 HydrophobicContact CD2-CB 4.04Å; L73-F78 HydrophobicContact CD1-CB 4.41Å; L73-F78 HydrophobicContact CD1-CD2 4.3Å; L73-V82 HydrophobicContact CD2-CB 3.69Å; L73-V82 HydrophobicContact CD2-CG2 3.42Å; L73-V82 VanDerWaalsContact CD2-CG2 3.42Å; L73-Y94 HydrophobicContact CD1-CD2 3.97Å; L73-A95 HydrophobicContact CD1-CB 4.48Å; L73-S142 VanDerWaalsContact CB-CB 3.42Å; L73-S142 VanDerWaalsContact O-CB 3.24Å; L73-S142 WeakPolarHBondContact O-CB 3.36Å
74	E	83.8	Confident	90	Very high	127 Å²	127	51.8 Å²	51.8	59%	0.593	26%	0.257	S	S	*	.	P	Polyproline II helix	trans	-66.9	165.3	170.1	-60.4	-172	162	0	0	110.6	N72 N76 A77	N72-E74 PolarHBondContact O-N 3.07Å; E74-N76 PolarHBondContact O-N 2.88Å; E74-A77 HydrophobicContact CB-CB 4.3Å; E74-A77 WeakPolarHBondContact O-CB 3.42Å; E74-A77 PolarHBondContact O-N 2.62Å
75	R	80.8	Confident	89.9	Confident	94 Å²	94	52.9 Å²	52.9	36%	0.355	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	138.1	171	175.9	171.5	-74.9	-132.1	4.6	110.3	A77 D141 M144 D146 D147	R75-A77 PolarHBondContact O-N 3.05Å; R75-D141 IonicContact CZ-OD1 3.66Å; R75-D141 IonicContact NE-OD1 2.93Å; R75-D141 PolarHBondContact NE-OD1 2.87Å; R75-D141 VanDerWaalsContact NE-OD1 3.08Å; R75-D141 IonicContact NH2-OD1 3.46Å; R75-D141 PolarHBondContact NH2-OD1 2.86Å; R75-M144 PolarHBondContact NH2-SD 3.03Å; R75-D146 PolarHBondContact NH1-O 2.86Å; R75-D147 IonicContact NH1-OD1 2.88Å
76	N	76.9	Confident	89.8	Confident	32 Å²	32	56.3 Å²	56.3	17%	0.171	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	-9.5	-175.8	-57.1	-9	0	0	0	116.4	E74 F78 Y79 E80	E74-N76 PolarHBondContact O-N 2.88Å; N76-F78 PolarHBondContact O-N 3.08Å; N76-Y79 PolarHBondContact O-N 3.44Å; N76-E80 HydrophobicContact CB-CG 4.14Å; N76-E80 WeakPolarHBondContact CB-OE1 3.37Å; N76-E80 PolarHBondContact ND2-OE1 2.98Å; N76-E80 PolarHBondContact O-N 2.91Å
77	A	84.6	Confident	89.7	Confident	5 Å²	5	57.9 Å²	57.9	4%	0.041	29%	0.289	C	S	.	.	H	α-helix	trans	-61.6	-22.8	-178.5	0	0	0	0	0	112.7	L73 E74 R75 Y79 G81 A95	L73-A77 HydrophobicContact CB-CB 4.25Å; L73-A77 HydrophobicContact CD2-CB 4.04Å; E74-A77 HydrophobicContact CB-CB 4.3Å; E74-A77 WeakPolarHBondContact O-CB 3.42Å; E74-A77 PolarHBondContact O-N 2.62Å; R75-A77 PolarHBondContact O-N 3.05Å; A77-Y79 VanDerWaalsContact C-N 3.27Å; A77-Y79 PolarHBondContact O-N 2.9Å; A77-G81 WeakPolarHBondContact CA-O 3.41Å; A77-G81 CarbonylContact O-C 3.55Å; A77-G81 VanDerWaalsContact O-CA 3.24Å; A77-G81 WeakPolarHBondContact O-CA 3.32Å; A77-G81 PolarHBondContact O-N 2.92Å; A77-G81 VanDerWaalsContact O-O 3.11Å; A77-A95 WeakPolarHBondContact O-CB 3.36Å
78	F	83.4	Confident	89.7	Confident	31 Å²	31	57 Å²	57	14%	0.136	28%	0.283	C	S	.	.	H	α-helix	trans	-62	-34.6	171.4	-174.6	-92.4	0	0	0	113	L73 N76 Y94 A95 S142 W215 L217	L73-F78 HydrophobicContact CD1-CB 4.41Å; L73-F78 HydrophobicContact CD1-CD2 4.3Å; N76-F78 PolarHBondContact O-N 3.08Å; F78-Y94 WeakPolarHBondContact CE2-O 3.29Å; F78-A95 HydrophobicContact CD2-CB 4.48Å; F78-S142 VanDerWaalsContact CB-O 3.32Å; F78-S142 WeakPolarHBondContact CB-O 3.24Å; F78-W215 HydrophobicContact CD1-CH2 4.32Å; F78-W215 AromaticContact CE1-CH2 3.65Å; F78-W215 HydrophobicContact CE1-CH2 3.65Å; F78-W215 AromaticContact CE1-CZ2 3.64Å; F78-W215 HydrophobicContact CE1-CZ2 3.64Å; F78-W215 AromaticContact CZ-CH2 3.85Å; F78-W215 HydrophobicContact CZ-CH2 3.85Å; F78-W215 AromaticContact CZ-CZ2 3.78Å; F78-W215 HydrophobicContact CZ-CZ2 3.78Å; F78-L217 HydrophobicContact CE2-CD2 3.81Å; F78-L217 HydrophobicContact CZ-CD2 3.45Å; F78-L217 VanDerWaalsContact CZ-CD2 3.45Å
79	Y	83.1	Confident	89.7	Confident	80 Å²	80	56 Å²	56	31%	0.314	28%	0.278	S	S	.	.	H	α-helix	trans	-100.8	-36.3	-176.4	-57.3	-72.5	0	0	0	113.2	N76 A77 I145	N76-Y79 PolarHBondContact O-N 3.44Å; A77-Y79 VanDerWaalsContact C-N 3.27Å; A77-Y79 PolarHBondContact O-N 2.9Å; Y79-I145 HydrophobicContact CD2-CG1 4.28Å; Y79-I145 HydrophobicContact CE1-CD1 4.26Å; Y79-I145 HydrophobicContact CE1-CG1 4.27Å; Y79-I145 HydrophobicContact CE2-CB 4.43Å; Y79-I145 HydrophobicContact CE2-CD1 4.24Å; Y79-I145 HydrophobicContact CE2-CG1 3.39Å; Y79-I145 WeakPolarHBondContact OH-CD1 3.41Å; Y79-I145 VanDerWaalsContact OH-CG1 3.25Å; Y79-I145 WeakPolarHBondContact OH-CG1 3.31Å
80	E	86.2	Confident	89.7	Confident	117 Å²	117	52.7 Å²	52.7	55%	0.547	26%	0.263	S	S	.	.	H	α-helix	trans	-88.8	-12.6	-178	-64.9	177	-162.6	0	0	112.7	N76 K98	N76-E80 HydrophobicContact CB-CG 4.14Å; N76-E80 WeakPolarHBondContact CB-OE1 3.37Å; N76-E80 PolarHBondContact ND2-OE1 2.98Å; N76-E80 PolarHBondContact O-N 2.91Å; E80-K98 WeakPolarHBondContact O-CG 3.45Å
81	G	89.9	Confident	89.8	Confident	2 Å²	2	48.9 Å²	48.9	2%	0.021	24%	0.24	C	C	.	.			trans	98.5	162.8	-174.1	0	0	0	0	0	112.8	A77 P96 K98	A77-G81 WeakPolarHBondContact CA-O 3.41Å; A77-G81 CarbonylContact O-C 3.55Å; A77-G81 VanDerWaalsContact O-CA 3.24Å; A77-G81 WeakPolarHBondContact O-CA 3.32Å; A77-G81 PolarHBondContact O-N 2.92Å; A77-G81 VanDerWaalsContact O-O 3.11Å; G81-P96 CarbonylContact C-O 3.59Å; G81-P96 WeakPolarHBondContact CA-O 3.36Å; G81-K98 VanDerWaalsContact C-CG 3.43Å; G81-K98 WeakPolarHBondContact O-CE 3.46Å; G81-K98 WeakPolarHBondContact O-CG 3.32Å
82	V	92.8	Very high	90.1	Very high	8 Å²	8	47.3 Å²	47.3	5%	0.048	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-97.4	143.1	-177.7	68.9	0	0	0	0	111.9	L73 L91 P96 P97 K98 I222	L73-V82 HydrophobicContact CD2-CB 3.69Å; L73-V82 HydrophobicContact CD2-CG2 3.42Å; L73-V82 VanDerWaalsContact CD2-CG2 3.42Å; V82-L91 HydrophobicContact CB-CD2 4.43Å; V82-L91 HydrophobicContact CG1-CD2 3.61Å; V82-L91 HydrophobicContact CG2-CD2 3.9Å; V82-P96 PolarHBondContact N-O 2.77Å; V82-P97 WeakPolarHBondContact O-CA 3.33Å; V82-K98 PolarHBondContact O-N 2.9Å; V82-I222 HydrophobicContact CG1-CD1 3.39Å
83	E	93.4	Very high	90.4	Very high	119 Å²	119	45.6 Å²	45.6	56%	0.556	22%	0.22	S	C	*	.			trans	-74.1	142.2	168.8	-64.8	-167.2	175.4	0	0	110.8	P85 K98	E83-P85 WeakPolarHBondContact O-CD 3.27Å; E83-K98 HydrophobicContact CG-CD 4.17Å; E83-K98 IonicContact OE1-NZ 2.68Å
84	F	94.5	Very high	90.7	Very high	30 Å²	30	46.4 Å²	46.4	13%	0.132	22%	0.223	C	C	.	.			trans	-104.6	107.5	179.6	-170.4	-94.5	0	0	0	109	C88 L91 L102 I222 R224	F84-C88 HydrophobicContact CD1-CB 4.24Å; F84-C88 HydrophobicContact CE1-CB 3.84Å; F84-C88 WeakPolarHBondContact CE1-O 3.24Å; F84-C88 HydrophobicContact CE2-CB 4.19Å; F84-C88 VanDerWaalsContact CE2-SG 3.53Å; F84-C88 HydrophobicContact CZ-CB 3.82Å; F84-C88 VanDerWaalsContact CZ-O 3.29Å; F84-C88 WeakPolarHBondContact CZ-O 3.32Å; F84-C88 VanDerWaalsContact CZ-SG 3.57Å; F84-L91 HydrophobicContact CD2-CB 3.82Å; F84-L91 HydrophobicContact CD2-CD2 4.1Å; F84-L91 HydrophobicContact CE2-CB 3.74Å; F84-L102 HydrophobicContact CB-CD1 3.4Å; F84-L102 HydrophobicContact CD1-CD1 4.15Å; F84-L102 HydrophobicContact CD1-CD2 4.18Å; F84-L102 HydrophobicContact CD2-CD1 3.91Å; F84-L102 HydrophobicContact CE1-CD2 4.34Å; F84-L102 HydrophobicContact CG-CD1 3.56Å; F84-L102 HydrophobicContact CG-CD2 4.31Å; F84-I222 HydrophobicContact CD2-CB 4.37Å; F84-I222 HydrophobicContact CD2-CG2 3.64Å; F84-I222 HydrophobicContact CE2-CB 4.43Å; F84-I222 HydrophobicContact CE2-CG2 3.95Å; F84-I222 WeakPolarHBondContact CE2-O 3.35Å; F84-R224 HydrophobicContact CE1-CG 4.46Å
85	P	94.8	Very high	91	Very high	34 Å²	34	40.5 Å²	40.5	22%	0.221	20%	0.195	C	C	.	.			trans	-57.7	144.9	-175.3	-23.8	32.4	0	0	0	112.3	Y41 E83 D87 C88	Y41-P85 HydrophobicContact CD1-CG 4.47Å; Y41-P85 HydrophobicContact CD2-CG 4.3Å; Y41-P85 HydrophobicContact CE1-CG 4.42Å; Y41-P85 HydrophobicContact CE2-CB 4.05Å; Y41-P85 HydrophobicContact CE2-CG 4.24Å; Y41-P85 HydrophobicContact CG-CG 4.37Å; E83-P85 WeakPolarHBondContact O-CD 3.27Å; P85-D87 PolarHBondContact O-N 3.23Å; P85-C88 HydrophobicContact CB-CB 4Å; P85-C88 HydrophobicContact CG-CB 4.27Å; P85-C88 WeakPolarHBondContact O-CB 3.21Å; P85-C88 PolarHBondContact O-N 2.97Å
86	D	92.8	Very high	91.6	Very high	151 Å²	151	39.7 Å²	39.7	81%	0.807	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-36.1	-175	-75.7	-27.9	0	0	0	113.7	C88	D86-C88 VanDerWaalsContact C-N 3.31Å
87	D	94.9	Very high	92.4	Very high	70 Å²	70	39.2 Å²	39.2	37%	0.374	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	4.1	179.1	79.5	-39	0	0	0	113.8	T39 Y41 K69 P85	T39-D87 WeakPolarHBondContact CB-O 3.35Å; T39-D87 PolarHBondContact OG1-O 3.32Å; Y41-D87 VanDerWaalsContact CE2-OD1 3.24Å; Y41-D87 WeakPolarHBondContact CE2-OD1 3.47Å; Y41-D87 PolarHBondContact OH-OD1 3.11Å; Y41-D87 PolarHBondContact OH-OD2 3.04Å; K69-D87 IonicContact NZ-OD2 3.68Å; K69-D87 PolarHBondContact NZ-OD2 3.17Å; P85-D87 PolarHBondContact O-N 3.23Å
88	C	96.9	Very high	92.8	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.014	22%	0.218	C	C	.	.			trans	-79.9	131.8	178.9	-174.2	0	0	0	0	111.1	Y41 F84 P85 D86 V90	Y41-C88 HydrophobicContact CD2-CB 3.61Å; Y41-C88 HydrophobicContact CE2-CB 3.92Å; F84-C88 HydrophobicContact CD1-CB 4.24Å; F84-C88 HydrophobicContact CE1-CB 3.84Å; F84-C88 WeakPolarHBondContact CE1-O 3.24Å; F84-C88 HydrophobicContact CE2-CB 4.19Å; F84-C88 VanDerWaalsContact CE2-SG 3.53Å; F84-C88 HydrophobicContact CZ-CB 3.82Å; F84-C88 VanDerWaalsContact CZ-O 3.29Å; F84-C88 WeakPolarHBondContact CZ-O 3.32Å; F84-C88 VanDerWaalsContact CZ-SG 3.57Å; P85-C88 HydrophobicContact CB-CB 4Å; P85-C88 HydrophobicContact CG-CB 4.27Å; P85-C88 WeakPolarHBondContact O-CB 3.21Å; P85-C88 PolarHBondContact O-N 2.97Å; D86-C88 VanDerWaalsContact C-N 3.31Å; C88-V90 PolarHBondContact SG-O 2.92Å; C88-V90 VanDerWaalsContact SG-O 3.36Å
89	D	97	Very high	93.3	Very high	35 Å²	35	45.8 Å²	45.8	19%	0.187	23%	0.233	C	C	.	.	S	Bend	trans	-98.7	-38.8	169.9	-67.8	-65.3	0	0	0	111.2	V38 T39 F223 V233	V38-D89 VanDerWaalsContact CA-OD2 3.29Å; V38-D89 WeakPolarHBondContact CA-OD2 3.28Å; V38-D89 HydrophobicContact CG1-CB 4.02Å; T39-D89 PolarHBondContact N-OD2 3.24Å; T39-D89 WeakPolarHBondContact O-CB 3.31Å; T39-D89 PolarHBondContact O-N 3.1Å; D89-F223 WeakPolarHBondContact O-CB 3.4Å; D89-V233 HydrophobicContact CB-CG1 3.85Å; D89-V233 HydrophobicContact CB-CG2 3.97Å; D89-V233 WeakPolarHBondContact OD1-CG2 3.24Å
90	V	97.8	Very high	93.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	125.2	177.5	-174.7	0	0	0	0	110.1	T39 I40 Y41 C88 I92 I222 V233 L237 M240	T39-V90 PolarHBondContact O-N 3.11Å; I40-V90 CarbonylContact C-O 3.55Å; I40-V90 VanDerWaalsContact CA-O 3.26Å; I40-V90 WeakPolarHBondContact CA-O 3.44Å; I40-V90 HydrophobicContact CG1-CB 4.4Å; Y41-V90 PolarHBondContact N-O 3.13Å; C88-V90 PolarHBondContact SG-O 2.92Å; C88-V90 VanDerWaalsContact SG-O 3.36Å; V90-I92 HydrophobicContact CG1-CD1 4.03Å; V90-I222 WeakPolarHBondContact CA-O 3.18Å; V90-V233 HydrophobicContact CG2-CG1 4.31Å; V90-L237 HydrophobicContact CG1-CD1 3.84Å; V90-L237 HydrophobicContact CG2-CB 4.27Å; V90-L237 HydrophobicContact CG2-CD1 4.07Å; V90-M240 HydrophobicContact CG1-CE 3.86Å
91	L	97.9	Very high	94	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.016	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	121.7	174	170.1	64.2	0	0	0	109.1	Y41 V82 F84 A221 I222	Y41-L91 CarbonylContact O-C 3.54Å; Y41-L91 WeakPolarHBondContact O-CA 3.29Å; V82-L91 HydrophobicContact CB-CD2 4.43Å; V82-L91 HydrophobicContact CG1-CD2 3.61Å; V82-L91 HydrophobicContact CG2-CD2 3.9Å; F84-L91 HydrophobicContact CD2-CB 3.82Å; F84-L91 HydrophobicContact CD2-CD2 4.1Å; F84-L91 HydrophobicContact CE2-CB 3.74Å; L91-A221 CarbonylContact O-C 3.56Å; L91-I222 HydrophobicContact CB-CB 4.14Å; L91-I222 HydrophobicContact CD2-CD1 4.1Å; L91-I222 HydrophobicContact CG-CD1 4.45Å; L91-I222 PolarHBondContact N-O 3.29Å; L91-I222 PolarHBondContact O-N 3.34Å
92	I	97.1	Very high	94.3	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	122.4	168.5	-49.6	-58.1	0	0	0	108.2	Y41 A42 P43 I46 L50 V90 I107 L219 V220 A221 M240	Y41-I92 PolarHBondContact O-N 3.49Å; A42-I92 WeakPolarHBondContact CA-O 3.34Å; A42-I92 HydrophobicContact CB-CB 3.8Å; A42-I92 HydrophobicContact CB-CG1 4.4Å; P43-I92 WeakPolarHBondContact CD-O 3.38Å; I46-I92 HydrophobicContact CG2-CB 4.09Å; I46-I92 HydrophobicContact CG2-CG2 3.83Å; L50-I92 HydrophobicContact CD1-CG1 4.36Å; V90-I92 HydrophobicContact CG1-CD1 4.03Å; I92-I107 HydrophobicContact CD1-CD1 3.91Å; I92-I107 HydrophobicContact CG2-CD1 4.12Å; I92-L219 HydrophobicContact CG2-CD1 3.71Å; I92-L219 HydrophobicContact CG2-CD2 4.34Å; I92-L219 HydrophobicContact CG2-CG 3.95Å; I92-V220 WeakPolarHBondContact CA-O 3.3Å; I92-A221 HydrophobicContact CD1-CB 3.7Å; I92-M240 HydrophobicContact CD1-CE 3.85Å
93	S	94.8	Very high	94.5	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.014	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	160.5	-171.1	-177.7	0	0	0	0	111.7	A95 V220	S93-A95 WeakPolarHBondContact CB-O 3.45Å; S93-A95 PolarHBondContact OG-N 3.05Å; S93-A95 VanDerWaalsContact OG-N 3.08Å; S93-A95 PolarHBondContact OG-O 3.43Å; S93-V220 PolarHBondContact N-O 3.49Å; S93-V220 WeakPolarHBondContact O-CG2 3.49Å; S93-V220 PolarHBondContact O-N 2.7Å
94	Y	90.8	Very high	94.6	Very high	31 Å²	31	48.1 Å²	48.1	12%	0.122	26%	0.264	C	S	.	.	S	Bend	trans	-91.9	-4.1	171.1	-45.2	-48.8	0	0	0	112.9	P43 I46 L73 F78 Y110 D218 L219	P43-Y94 HydrophobicContact CB-CE2 3.92Å; P43-Y94 HydrophobicContact CG-CD2 4.19Å; P43-Y94 HydrophobicContact CG-CE1 4.47Å; P43-Y94 HydrophobicContact CG-CE2 3.51Å; I46-Y94 HydrophobicContact CD1-CE1 4.26Å; I46-Y94 HydrophobicContact CG1-CE1 4.08Å; I46-Y94 WeakPolarHBondContact CG1-OH 3.47Å; L73-Y94 HydrophobicContact CD1-CD2 3.97Å; F78-Y94 WeakPolarHBondContact CE2-O 3.29Å; Y94-Y110 AromaticContact CD1-CE1 3.63Å; Y94-Y110 HydrophobicContact CD1-CE1 3.63Å; Y94-Y110 AromaticContact CD1-CZ 3.64Å; Y94-Y110 WeakPolarHBondContact CD1-OH 3.23Å; Y94-Y110 AromaticContact CE1-CE1 3.87Å; Y94-Y110 HydrophobicContact CE1-CE1 3.87Å; Y94-Y110 AromaticContact CE1-CZ 3.7Å; Y94-Y110 WeakPolarHBondContact CE1-OH 3.25Å; Y94-D218 WeakPolarHBondContact CA-O 3.38Å; Y94-L219 HydrophobicContact CD1-CD1 3.59Å; Y94-L219 HydrophobicContact CE1-CD1 3.56Å
95	A	91	Very high	94.7	Very high	2 Å²	2	48.1 Å²	48.1	2%	0.017	27%	0.269	C	S	.	.	S	Bend	trans	-135.3	149.7	-175.8	0	0	0	0	0	110.1	L73 A77 F78 S93 I222	L73-A95 HydrophobicContact CD1-CB 4.48Å; A77-A95 WeakPolarHBondContact O-CB 3.36Å; F78-A95 HydrophobicContact CD2-CB 4.48Å; S93-A95 WeakPolarHBondContact CB-O 3.45Å; S93-A95 PolarHBondContact OG-N 3.05Å; S93-A95 VanDerWaalsContact OG-N 3.08Å; S93-A95 PolarHBondContact OG-O 3.43Å; A95-I222 WeakPolarHBondContact O-CD1 3.42Å
96	P	92.7	Very high	94.7	Very high	77 Å²	77	51.4 Å²	51.4	50%	0.5	28%	0.28	S	S	.	.			trans	-65.1	162.7	174.9	30.3	-36	0	0	0	111.5	G81 V82	G81-P96 CarbonylContact C-O 3.59Å; G81-P96 WeakPolarHBondContact CA-O 3.36Å; V82-P96 PolarHBondContact N-O 2.77Å
97	P	94.7	Very high	94.9	Very high	22 Å²	22	44.7 Å²	44.7	14%	0.143	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-68.5	150.5	174.8	28.3	-32.5	0	0	0	111.7	V82 D99 L102 A104 I222	V82-P97 WeakPolarHBondContact O-CA 3.33Å; P97-D99 VanDerWaalsContact C-N 3.3Å; P97-L102 HydrophobicContact CB-CB 4.19Å; P97-L102 HydrophobicContact CB-CD1 3.8Å; P97-L102 HydrophobicContact CG-CB 4Å; P97-A104 HydrophobicContact CG-CB 4.43Å; P97-I222 HydrophobicContact CB-CD1 4.18Å; P97-I222 HydrophobicContact CB-CG2 3.87Å; P97-I222 HydrophobicContact CG-CD1 4.4Å; P97-I222 HydrophobicContact CG-CG2 4.01Å
98	K	93.2	Very high	94.8	Very high	92 Å²	92	42.7 Å²	42.7	40%	0.4	23%	0.234	S	C	.	.	S	Bend	trans	-65.9	-34.8	166.1	-65.7	-169.8	177.8	176.4	0	112.2	E80 G81 V82 E83	E80-K98 WeakPolarHBondContact O-CG 3.45Å; G81-K98 VanDerWaalsContact C-CG 3.43Å; G81-K98 WeakPolarHBondContact O-CE 3.46Å; G81-K98 WeakPolarHBondContact O-CG 3.32Å; V82-K98 PolarHBondContact O-N 2.9Å; E83-K98 HydrophobicContact CG-CD 4.17Å; E83-K98 IonicContact OE1-NZ 2.68Å
99	D	93.1	Very high	94.6	Very high	83 Å²	83	47.1 Å²	47.1	44%	0.444	25%	0.254	S	S	.	.			trans	-87.3	112.9	-178.7	179.4	4.6	0	0	0	111.3	P97 S101 L102	P97-D99 VanDerWaalsContact C-N 3.3Å; D99-S101 PolarHBondContact O-N 3.42Å; D99-S101 WeakPolarHBondContact OD1-CB 3.41Å; D99-S101 PolarHBondContact OD1-N 2.81Å; D99-S101 PolarHBondContact OD1-OG 3.16Å; D99-S101 PolarHBondContact OD2-OG 3.36Å; D99-L102 HydrophobicContact CB-CD1 4.07Å; D99-L102 HydrophobicContact CB-CG 4.32Å; D99-L102 PolarHBondContact O-N 3.01Å
100	E	91.9	Very high	94.2	Very high	192 Å²	192	47.2 Å²	47.2	90%	0.897	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-11.9	178	-61.5	-175.3	171.1	0	0	114	L102	E100-L102 PolarHBondContact O-N 2.73Å
101	S	92.3	Very high	93.8	Very high	65 Å²	65	47.8 Å²	47.8	46%	0.455	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-20.5	175.8	86.6	0	0	0	0	113.1	D99	D99-S101 PolarHBondContact O-N 3.42Å; D99-S101 WeakPolarHBondContact OD1-CB 3.41Å; D99-S101 PolarHBondContact OD1-N 2.81Å; D99-S101 PolarHBondContact OD1-OG 3.16Å; D99-S101 PolarHBondContact OD2-OG 3.36Å
102	L	96.1	Very high	93.5	Very high	17 Å²	17	47.8 Å²	47.8	9%	0.089	26%	0.257	C	S	.	.	S	Bend	trans	-82.5	155.1	179.9	-62.6	171.3	0	0	0	111.8	F84 P97 D99 E100 I222 R224	F84-L102 HydrophobicContact CB-CD1 3.4Å; F84-L102 HydrophobicContact CD1-CD1 4.15Å; F84-L102 HydrophobicContact CD1-CD2 4.18Å; F84-L102 HydrophobicContact CD2-CD1 3.91Å; F84-L102 HydrophobicContact CE1-CD2 4.34Å; F84-L102 HydrophobicContact CG-CD1 3.56Å; F84-L102 HydrophobicContact CG-CD2 4.31Å; P97-L102 HydrophobicContact CB-CB 4.19Å; P97-L102 HydrophobicContact CB-CD1 3.8Å; P97-L102 HydrophobicContact CG-CB 4Å; D99-L102 HydrophobicContact CB-CD1 4.07Å; D99-L102 HydrophobicContact CB-CG 4.32Å; D99-L102 PolarHBondContact O-N 3.01Å; E100-L102 PolarHBondContact O-N 2.73Å; L102-I222 HydrophobicContact CB-CG2 4.07Å; L102-I222 HydrophobicContact CD1-CG2 3.93Å; L102-R224 HydrophobicContact CD2-CG 3.87Å
103	V	96.3	Very high	93.3	Very high	51 Å²	51	48.3 Å²	48.3	31%	0.309	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	127.8	172.2	-179.7	0	0	0	0	108.3	I222 F223 K225	V103-I222 CarbonylContact O-C 3.57Å; V103-I222 VanDerWaalsContact O-CA 3.24Å; V103-I222 WeakPolarHBondContact O-CA 3.33Å; V103-F223 HydrophobicContact CB-CD2 4.16Å; V103-F223 HydrophobicContact CB-CE2 3.82Å; V103-F223 HydrophobicContact CB-CZ 4Å; V103-F223 HydrophobicContact CG1-CE1 4.2Å; V103-F223 HydrophobicContact CG1-CE2 3.81Å; V103-F223 HydrophobicContact CG1-CZ 3.57Å; V103-F223 HydrophobicContact CG2-CE2 4.34Å; V103-F223 PolarHBondContact N-O 3.41Å; V103-F223 PolarHBondContact O-N 2.9Å; V103-K225 HydrophobicContact CG2-CG 3.9Å
104	A	96.4	Very high	93.4	Very high	49 Å²	49	48.2 Å²	48.2	41%	0.405	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	105.2	167.2	0	0	0	0	0	109.6	P97 I222	P97-A104 HydrophobicContact CG-CB 4.43Å; A104-I222 HydrophobicContact CB-CG1 4.44Å
105	S	95.6	Very high	93.7	Very high	31 Å²	31	47 Å²	47	22%	0.217	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	120.1	176.3	-179.5	0	0	0	0	110.4	I107 V220 A221	S105-I107 PolarHBondContact O-N 3.08Å; S105-V220 CarbonylContact O-C 3.59Å; S105-V220 WeakPolarHBondContact O-CA 3.46Å; S105-A221 PolarHBondContact N-O 2.92Å; S105-A221 PolarHBondContact O-N 2.68Å
106	F	96	Very high	94.1	Very high	103 Å²	103	46.9 Å²	46.9	45%	0.452	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	135.1	170.2	179.5	-97.3	0	0	0	111.8	T108 Q109 D218	F106-T108 VanDerWaalsContact CE2-C 3.49Å; F106-T108 VanDerWaalsContact CE2-O 3.26Å; F106-T108 WeakPolarHBondContact CE2-O 3.31Å; F106-T108 VanDerWaalsContact CZ-CA 3.41Å; F106-Q109 HydrophobicContact CE2-CG 3.8Å; F106-Q109 HydrophobicContact CZ-CG 3.89Å; F106-D218 HydrophobicContact CE2-CB 4.42Å
107	I	95.5	Very high	94.3	Very high	10 Å²	10	43.2 Å²	43.2	5%	0.051	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-59.3	175.2	-52.5	179.2	0	0	0	109.4	I92 S105 L219 A221 L241 I244	I92-I107 HydrophobicContact CD1-CD1 3.91Å; I92-I107 HydrophobicContact CG2-CD1 4.12Å; S105-I107 PolarHBondContact O-N 3.08Å; I107-L219 WeakPolarHBondContact CA-O 3.33Å; I107-L219 VanDerWaalsContact CB-O 3.27Å; I107-L219 WeakPolarHBondContact CB-O 3.44Å; I107-L219 HydrophobicContact CD1-CD2 4.4Å; I107-L219 HydrophobicContact CD1-CG 4.26Å; I107-L219 PolarHBondContact N-O 2.97Å; I107-A221 HydrophobicContact CD1-CB 3.92Å; I107-A221 HydrophobicContact CG1-CB 4.19Å; I107-L241 HydrophobicContact CD1-CD2 3.89Å; I107-L241 HydrophobicContact CG1-CD2 3.85Å; I107-I244 HydrophobicContact CG2-CG2 3.6Å
108	T	94.1	Very high	94.4	Very high	28 Å²	28	46.5 Å²	46.5	17%	0.172	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	176.9	-176.4	-160.7	0	0	0	0	111.1	F106 L219 L248	F106-T108 VanDerWaalsContact CE2-C 3.49Å; F106-T108 VanDerWaalsContact CE2-O 3.26Å; F106-T108 WeakPolarHBondContact CE2-O 3.31Å; F106-T108 VanDerWaalsContact CZ-CA 3.41Å; T108-L219 HydrophobicContact CG2-CB 4.17Å; T108-L219 HydrophobicContact CG2-CD2 4.22Å; T108-L219 PolarHBondContact N-O 3.2Å; T108-L219 PolarHBondContact O-N 2.89Å; T108-L248 HydrophobicContact CG2-CD1 3.89Å; T108-L248 HydrophobicContact CG2-CD2 4.19Å
109	Q	91.3	Very high	94.6	Very high	95 Å²	95	48.5 Å²	48.5	44%	0.444	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	149.3	164.9	-73.7	-177.2	-33	0	0	110.5	F106 W216 L217 D218	F106-Q109 HydrophobicContact CE2-CG 3.8Å; F106-Q109 HydrophobicContact CZ-CG 3.89Å; Q109-W216 HydrophobicContact CB-CE3 3.93Å; Q109-W216 HydrophobicContact CB-CZ3 4.49Å; Q109-L217 CarbonylContact C-O 3.37Å; Q109-L217 WeakPolarHBondContact CA-O 3.26Å; Q109-D218 WeakPolarHBondContact CG-OD1 3.37Å; Q109-D218 PolarHBondContact NE2-OD1 3.43Å
110	Y	88.6	Confident	94.9	Very high	37 Å²	37	45.2 Å²	45.2	15%	0.145	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	146.8	172	67.7	-80	0	0	0	110.1	Y94 V112 P192 W216 L217 L219	Y94-Y110 AromaticContact CD1-CE1 3.63Å; Y94-Y110 HydrophobicContact CD1-CE1 3.63Å; Y94-Y110 AromaticContact CD1-CZ 3.64Å; Y94-Y110 WeakPolarHBondContact CD1-OH 3.23Å; Y94-Y110 AromaticContact CE1-CE1 3.87Å; Y94-Y110 HydrophobicContact CE1-CE1 3.87Å; Y94-Y110 AromaticContact CE1-CZ 3.7Å; Y94-Y110 WeakPolarHBondContact CE1-OH 3.25Å; Y110-V112 HydrophobicContact CD2-CG1 3.98Å; Y110-V112 HydrophobicContact CE2-CG1 3.56Å; Y110-P192 HydrophobicContact CD2-CB 3.99Å; Y110-P192 HydrophobicContact CD2-CG 3.92Å; Y110-P192 HydrophobicContact CE2-CB 4.43Å; Y110-P192 HydrophobicContact CE2-CG 3.85Å; Y110-W216 WeakPolarHBondContact O-CA 3.38Å; Y110-L217 HydrophobicContact CD1-CB 4.22Å; Y110-L217 WeakPolarHBondContact CD1-O 3.01Å; Y110-L217 HydrophobicContact CE1-CB 3.66Å; Y110-L217 HydrophobicContact CE2-CB 4.11Å; Y110-L217 HydrophobicContact CE2-CD1 3.9Å; Y110-L217 PolarHBondContact N-O 3.03Å; Y110-L217 PolarHBondContact O-N 2.87Å; Y110-L217 WeakPolarHBondContact OH-CD1 3.43Å; Y110-L219 HydrophobicContact CD1-CB 4.28Å; Y110-L219 HydrophobicContact CE1-CB 4.37Å; Y110-L219 HydrophobicContact CE1-CD1 4.49Å
111	A	89.9	Confident	95.1	Very high	12 Å²	12	37.2 Å²	37.2	10%	0.099	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	144.6	173.6	0	0	0	0	0	110.3	P192 E214 W215 W216	A111-P192 WeakPolarHBondContact O-CA 3.35Å; A111-E214 HydrophobicContact CB-CB 3.97Å; A111-E214 HydrophobicContact CB-CG 4.01Å; A111-W215 CarbonylContact C-O 3.58Å; A111-W215 WeakPolarHBondContact CA-O 3.32Å; A111-W216 HydrophobicContact CB-CD2 4.15Å; A111-W216 HydrophobicContact CB-CE3 4.34Å; A111-W216 HydrophobicContact CB-CH2 4.28Å; A111-W216 HydrophobicContact CB-CZ2 4.04Å; A111-W216 HydrophobicContact CB-CZ3 4.42Å
112	V	91.9	Very high	95.3	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.012	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	143	161.1	-64.6	0	0	0	0	109.8	Y110 F190 A191 P192 E214 W215 L217	Y110-V112 HydrophobicContact CD2-CG1 3.98Å; Y110-V112 HydrophobicContact CE2-CG1 3.56Å; V112-F190 HydrophobicContact CB-CD2 4.44Å; V112-F190 HydrophobicContact CB-CE1 4.47Å; V112-F190 HydrophobicContact CB-CE2 4.15Å; V112-F190 HydrophobicContact CB-CZ 4.2Å; V112-F190 HydrophobicContact CG2-CD1 4.22Å; V112-F190 HydrophobicContact CG2-CD2 4.41Å; V112-F190 HydrophobicContact CG2-CE1 3.61Å; V112-F190 HydrophobicContact CG2-CE2 3.77Å; V112-F190 HydrophobicContact CG2-CZ 3.34Å; V112-A191 WeakPolarHBondContact CA-O 3.49Å; V112-P192 HydrophobicContact CG1-CB 4.36Å; V112-P192 HydrophobicContact CG1-CG 3.89Å; V112-E214 WeakPolarHBondContact O-CA 3.44Å; V112-W215 HydrophobicContact CG2-CB 3.85Å; V112-W215 HydrophobicContact CG2-CD2 4.46Å; V112-W215 HydrophobicContact CG2-CE3 3.92Å; V112-W215 HydrophobicContact CG2-CG 4.47Å; V112-W215 WeakPolarHBondContact CG2-O 3.27Å; V112-W215 PolarHBondContact N-O 3.36Å; V112-W215 PolarHBondContact O-N 2.97Å; V112-L217 HydrophobicContact CG1-CD1 3.92Å; V112-L217 HydrophobicContact CG2-CD1 3.87Å; V112-L217 HydrophobicContact CG2-CG 4.35Å
113	T	93.6	Very high	95.4	Very high	14 Å²	14	46 Å²	46	9%	0.086	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	175.7	176.2	-166.2	0	0	0	0	111.8	Y115 F190 A191 Y213	T113-Y115 HydrophobicContact CG2-CD2 4.18Å; T113-Y115 HydrophobicContact CG2-CE1 4.02Å; T113-Y115 HydrophobicContact CG2-CE2 3.36Å; T113-Y115 VanDerWaalsContact CG2-OH 3.23Å; T113-Y115 WeakPolarHBondContact CG2-OH 3.24Å; T113-F190 VanDerWaalsContact C-CD2 3.48Å; T113-F190 WeakPolarHBondContact O-CA 3.26Å; T113-F190 WeakPolarHBondContact O-CD2 3.5Å; T113-A191 PolarHBondContact N-O 2.87Å; T113-A191 PolarHBondContact O-N 3.01Å; T113-Y213 VanDerWaalsContact CB-O 3.29Å; T113-Y213 WeakPolarHBondContact CB-O 3.31Å; T113-Y213 PolarHBondContact OG1-O 2.91Å
114	A	96.3	Very high	95.4	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	125	-176.4	0	0	0	0	0	111.7	W151 F153 I188 V189 C208 F209	A114-W151 HydrophobicContact CB-CZ3 4.09Å; A114-F153 HydrophobicContact CB-CE1 4.46Å; A114-F153 HydrophobicContact CB-CZ 4.15Å; A114-I188 HydrophobicContact CB-CG2 3.77Å; A114-V189 CarbonylContact C-O 3.53Å; A114-V189 WeakPolarHBondContact CA-O 3.24Å; A114-C208 HydrophobicContact CB-CB 4.04Å; A114-C208 PolarHBondContact O-N 2.85Å; A114-C208 PolarHBondContact O-SG 3.48Å; A114-F209 HydrophobicContact CB-CD2 4.4Å; A114-F209 HydrophobicContact CB-CE2 3.61Å; A114-F209 HydrophobicContact CB-CZ 4Å
115	Y	97.7	Very high	95.5	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.016	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	149.8	176	-61.2	-80.8	0	0	0	110.9	T113 I188 V189 A191 D193 V196 L200 V206 P207 C208	T113-Y115 HydrophobicContact CG2-CD2 4.18Å; T113-Y115 HydrophobicContact CG2-CE1 4.02Å; T113-Y115 HydrophobicContact CG2-CE2 3.36Å; T113-Y115 VanDerWaalsContact CG2-OH 3.23Å; T113-Y115 WeakPolarHBondContact CG2-OH 3.24Å; Y115-I188 CarbonylContact O-C 3.56Å; Y115-I188 WeakPolarHBondContact O-CA 3.16Å; Y115-V189 PolarHBondContact N-O 3.24Å; Y115-V189 WeakPolarHBondContact O-CG1 3.11Å; Y115-V189 PolarHBondContact O-N 3.32Å; Y115-A191 HydrophobicContact CD2-CB 4.32Å; Y115-A191 WeakPolarHBondContact CE2-O 3.45Å; Y115-D193 WeakPolarHBondContact OH-CA 3.48Å; Y115-D193 PolarHBondContact OH-OD1 3.26Å; Y115-V196 HydrophobicContact CD1-CG2 4.16Å; Y115-V196 HydrophobicContact CD2-CG1 4.16Å; Y115-V196 HydrophobicContact CD2-CG2 4.07Å; Y115-V196 HydrophobicContact CE1-CG2 3.81Å; Y115-V196 HydrophobicContact CE2-CG1 4.46Å; Y115-V196 HydrophobicContact CE2-CG2 3.65Å; Y115-V196 HydrophobicContact CG-CG1 4.37Å; Y115-V196 HydrophobicContact CG-CG2 4.28Å; Y115-L200 HydrophobicContact CD1-CD2 4.15Å; Y115-L200 HydrophobicContact CE1-CD1 4.31Å; Y115-L200 HydrophobicContact CE1-CD2 3.87Å; Y115-L200 HydrophobicContact CE1-CG 4.49Å; Y115-V206 WeakPolarHBondContact CA-O 3.39Å; Y115-P207 HydrophobicContact CD1-CB 4.46Å; Y115-P207 HydrophobicContact CD1-CG 4.38Å; Y115-P207 HydrophobicContact CE1-CB 4.29Å; Y115-P207 HydrophobicContact CE1-CG 4.01Å; Y115-C208 VanDerWaalsContact C-SG 3.55Å
116	A	98.2	Very high	95.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	160.8	169.7	0	0	0	0	0	109.4	Y120 L121 I188 L205 V206	A116-Y120 HydrophobicContact CB-CD1 3.76Å; A116-Y120 HydrophobicContact CB-CE1 4.48Å; A116-Y120 HydrophobicContact CB-CG 4.45Å; A116-L121 HydrophobicContact CB-CD1 4.38Å; A116-L121 HydrophobicContact CB-CD2 3.92Å; A116-L121 HydrophobicContact CB-CG 3.91Å; A116-I188 HydrophobicContact CB-CG1 4.13Å; A116-L205 WeakPolarHBondContact O-CA 3.43Å; A116-V206 PolarHBondContact N-O 2.9Å; A116-V206 PolarHBondContact O-N 2.9Å
117	S	98.3	Very high	95.4	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.007	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	148.4	171.2	68.5	0	0	0	0	111.7	R119 Y120 L121 A182 H185 T204	S117-R119 PolarHBondContact O-N 2.96Å; S117-Y120 WeakPolarHBondContact O-CB 3.44Å; S117-Y120 PolarHBondContact O-N 2.64Å; S117-Y120 WeakPolarHBondContact OG-CB 3.45Å; S117-Y120 PolarHBondContact OG-N 3.28Å; S117-L121 PolarHBondContact O-N 3.18Å; S117-L121 VanDerWaalsContact O-N 3.14Å; S117-A182 WeakPolarHBondContact CB-O 3.46Å; S117-H185 WeakPolarHBondContact CB-ND1 3.47Å; S117-H185 WeakPolarHBondContact OG-CA 3.31Å; S117-H185 PolarHBondContact OG-ND1 3.46Å; S117-T204 WeakPolarHBondContact CA-O 3.03Å; S117-T204 WeakPolarHBondContact CB-O 3.43Å
118	Q	96.5	Very high	95.3	Very high	91 Å²	91	53.5 Å²	53.5	43%	0.425	26%	0.257	S	S	.	.	H	α-helix	trans	-51.7	-44.6	175.4	-177.8	59.6	31	0	0	111.7	Y120 L121 E122	Q118-Y120 VanDerWaalsContact C-N 3.3Å; Q118-Y120 PolarHBondContact O-N 2.66Å; Q118-L121 PolarHBondContact O-N 3.15Å; Q118-L121 VanDerWaalsContact O-N 3.17Å; Q118-E122 WeakPolarHBondContact O-CG 3.32Å; Q118-E122 PolarHBondContact O-N 3.13Å
119	R	97.5	Very high	95.3	Very high	134 Å²	134	52.2 Å²	52.2	51%	0.506	25%	0.249	S	C	.	.	H	α-helix	trans	-62.4	-32.1	178.1	-177.5	-177.7	171.6	96.9	-6.4	113.8	S117 H185	S117-R119 PolarHBondContact O-N 2.96Å; R119-H185 VanDerWaalsContact CD-CD2 3.5Å; R119-H185 WeakPolarHBondContact CD-CD2 3.45Å
120	Y	98.3	Very high	95.4	Very high	13 Å²	13	52 Å²	52	5%	0.051	25%	0.251	C	S	.	.	H	α-helix	trans	-69.6	-47.1	174.3	176.6	-91.4	0	0	0	110.3	A116 S117 Q118 E122 K123 H124 H135 S136 H185 I188	A116-Y120 HydrophobicContact CB-CD1 3.76Å; A116-Y120 HydrophobicContact CB-CE1 4.48Å; A116-Y120 HydrophobicContact CB-CG 4.45Å; S117-Y120 WeakPolarHBondContact O-CB 3.44Å; S117-Y120 PolarHBondContact O-N 2.64Å; S117-Y120 WeakPolarHBondContact OG-CB 3.45Å; S117-Y120 PolarHBondContact OG-N 3.28Å; Q118-Y120 VanDerWaalsContact C-N 3.3Å; Q118-Y120 PolarHBondContact O-N 2.66Å; Y120-E122 VanDerWaalsContact C-N 3.33Å; Y120-E122 PolarHBondContact O-N 2.83Å; Y120-K123 PolarHBondContact O-N 2.9Å; Y120-K123 VanDerWaalsContact O-N 3.1Å; Y120-H124 HydrophobicContact CD1-CB 4.48Å; Y120-H124 AromaticContact CD2-CD2 3.96Å; Y120-H124 HydrophobicContact CE1-CB 4.01Å; Y120-H124 HydrophobicContact CE2-CB 4.49Å; Y120-H124 AromaticContact CE2-CD2 3.68Å; Y120-H124 PolarHBondContact O-N 2.91Å; Y120-H135 AromaticContact CE1-ND1 3.91Å; Y120-H135 WeakPolarHBondContact OH-CB 3.38Å; Y120-H135 PolarHBondContact OH-ND1 3.04Å; Y120-S136 PolarHBondContact OH-N 2.78Å; Y120-S136 PolarHBondContact OH-O 2.98Å; Y120-H185 WeakPolarHBondContact CD2-O 3.41Å; Y120-I188 HydrophobicContact CD1-CG1 4.26Å; Y120-I188 HydrophobicContact CE1-CD1 4.09Å; Y120-I188 HydrophobicContact CE1-CG1 3.54Å
121	L	97.5	Very high	95.7	Very high	25 Å²	25	53.3 Å²	53.3	13%	0.131	26%	0.258	C	S	.	.	H	α-helix	trans	-66.6	-30.3	-178.6	-65.5	-179.7	0	0	0	113.5	A116 S117 Q118 K123 H124 P125 I126 V206	A116-L121 HydrophobicContact CB-CD1 4.38Å; A116-L121 HydrophobicContact CB-CD2 3.92Å; A116-L121 HydrophobicContact CB-CG 3.91Å; S117-L121 PolarHBondContact O-N 3.18Å; S117-L121 VanDerWaalsContact O-N 3.14Å; Q118-L121 PolarHBondContact O-N 3.15Å; Q118-L121 VanDerWaalsContact O-N 3.17Å; L121-K123 PolarHBondContact O-N 3.01Å; L121-H124 CarbonylContact O-C 3.57Å; L121-H124 VanDerWaalsContact O-C 3.27Å; L121-H124 PolarHBondContact O-N 3.16Å; L121-P125 VanDerWaalsContact O-CA 3.31Å; L121-P125 WeakPolarHBondContact O-CA 3.47Å; L121-I126 HydrophobicContact CD2-CG2 3.7Å; L121-V206 HydrophobicContact CD1-CG2 3.42Å; L121-V206 VanDerWaalsContact CD1-CG2 3.42Å
122	E	96.8	Very high	96	Very high	132 Å²	132	52.7 Å²	52.7	62%	0.617	25%	0.254	S	S	*	.	H	α-helix	trans	-61.2	-33.9	172	-75.7	169.4	-177.8	0	0	112.8	Q118 Y120	Q118-E122 WeakPolarHBondContact O-CG 3.32Å; Q118-E122 PolarHBondContact O-N 3.13Å; Y120-E122 VanDerWaalsContact C-N 3.33Å; Y120-E122 PolarHBondContact O-N 2.83Å
123	K	97.2	Very high	96.1	Very high	135 Å²	135	56.2 Å²	56.2	59%	0.587	27%	0.27	S	S	*	.	H	α-helix	trans	-90.1	-31.1	179	-66.8	-179.6	178.3	-175.7	0	112.7	Y120 L121	Y120-K123 PolarHBondContact O-N 2.9Å; Y120-K123 VanDerWaalsContact O-N 3.1Å; L121-K123 PolarHBondContact O-N 3.01Å
124	H	97.3	Very high	96.2	Very high	93 Å²	93	63 Å²	63	43%	0.431	30%	0.3	S	S	.	.	S	Bend	trans	-132.5	74.9	-176.6	-55.9	-70.4	0	0	0	109.3	Y120 L121 H135	Y120-H124 HydrophobicContact CD1-CB 4.48Å; Y120-H124 AromaticContact CD2-CD2 3.96Å; Y120-H124 HydrophobicContact CE1-CB 4.01Å; Y120-H124 HydrophobicContact CE2-CB 4.49Å; Y120-H124 AromaticContact CE2-CD2 3.68Å; Y120-H124 PolarHBondContact O-N 2.91Å; L121-H124 CarbonylContact O-C 3.57Å; L121-H124 VanDerWaalsContact O-C 3.27Å; L121-H124 PolarHBondContact O-N 3.16Å; H124-H135 PolarHBondContact O-CE1 3.27Å; H124-H135 VanDerWaalsContact O-CE1 3.28Å
125	P	96.7	Very high	96.2	Very high	99 Å²	99	64.1 Å²	64.1	64%	0.643	31%	0.305	S	S	*	.			trans	-60.5	141.9	177.6	-21.6	33.3	0	0	0	110.8	L121 H135	L121-P125 VanDerWaalsContact O-CA 3.31Å; L121-P125 WeakPolarHBondContact O-CA 3.47Å; P125-H135 PolarHBondContact O-CE1 3.35Å
126	I	96.6	Very high	96.2	Very high	20 Å²	20	65.4 Å²	65.4	10%	0.103	32%	0.315	C	S	.	.			trans	-141.2	147.5	177	-164.6	176.5	0	0	0	108.7	L121 E131 L132 I188 C208 F209	L121-I126 HydrophobicContact CD2-CG2 3.7Å; I126-E131 WeakPolarHBondContact CA-OE2 3.18Å; I126-E131 HydrophobicContact CD1-CB 4.14Å; I126-E131 HydrophobicContact CG1-CB 3.77Å; I126-E131 VanDerWaalsContact CG1-OE2 3.31Å; I126-E131 WeakPolarHBondContact CG1-OE2 3.46Å; I126-L132 HydrophobicContact CD1-CD2 3.63Å; I126-L132 HydrophobicContact CD1-CG 4.04Å; I126-I188 HydrophobicContact CD1-CD1 3.87Å; I126-C208 HydrophobicContact CG2-CB 3.77Å; I126-C208 WeakPolarHBondContact CG2-O 3.43Å; I126-F209 HydrophobicContact CD1-CE1 3.84Å; I126-F209 HydrophobicContact CD1-CZ 4.44Å; I126-F209 HydrophobicContact CG1-CE1 4.12Å
127	S	93.2	Very high	96.1	Very high	66 Å²	66	65.4 Å²	65.4	46%	0.462	32%	0.315	S	S	.	.			trans	-131.2	-22.9	-179.1	71.7	0	0	0	0	114	E131	S127-E131 PolarHBondContact N-OE2 2.81Å; S127-E131 PolarHBondContact OG-OE1 3.47Å; S127-E131 VanDerWaalsContact OG-OE1 3.1Å
128	R	92.9	Very high	96.1	Very high	123 Å²	123	65.4 Å²	65.4	46%	0.464	32%	0.315	S	S	.	.	S	Bend	trans	-141.6	151.2	-174.4	-61	177.5	69.4	91.7	5.2	112	D130 E131 F209	R128-D130 IonicContact NE-OD2 3.2Å; R128-D130 PolarHBondContact O-N 2.84Å; R128-E131 WeakPolarHBondContact O-CB 3.46Å; R128-E131 PolarHBondContact O-N 3.37Å; R128-E131 VanDerWaalsContact O-N 3.13Å; R128-F209 WeakPolarHBondContact O-CE1 3.32Å
129	P	94.5	Very high	95.9	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-59.3	-29	177.4	-25.4	33.8	0	0	0	114.8	E131 L132 F153 Y164 F209 Y213	P129-E131 PolarHBondContact O-N 2.84Å; P129-E131 VanDerWaalsContact O-N 3.14Å; P129-L132 HydrophobicContact CB-CD1 4.21Å; P129-L132 VanDerWaalsContact O-CB 3.26Å; P129-L132 WeakPolarHBondContact O-CB 3.46Å; P129-L132 WeakPolarHBondContact O-CD1 3.43Å; P129-L132 VanDerWaalsContact O-CG 3.26Å; P129-L132 WeakPolarHBondContact O-CG 3.4Å; P129-L132 PolarHBondContact O-N 3.15Å; P129-F153 HydrophobicContact CB-CD2 3.89Å; P129-F153 HydrophobicContact CB-CE2 4.12Å; P129-F153 HydrophobicContact CG-CD2 4.2Å; P129-F153 HydrophobicContact CG-CG 4.43Å; P129-Y164 HydrophobicContact CB-CD1 3.68Å; P129-Y164 HydrophobicContact CB-CD2 4.04Å; P129-Y164 HydrophobicContact CB-CE1 3.58Å; P129-Y164 HydrophobicContact CB-CE2 3.92Å; P129-Y164 HydrophobicContact CB-CG 3.89Å; P129-F209 HydrophobicContact CB-CE2 4.44Å; P129-F209 HydrophobicContact CB-CZ 4.12Å; P129-F209 HydrophobicContact CG-CD2 4.27Å; P129-F209 HydrophobicContact CG-CE1 4.29Å; P129-F209 HydrophobicContact CG-CE2 3.86Å; P129-F209 HydrophobicContact CG-CZ 3.88Å; P129-Y213 HydrophobicContact CG-CD1 3.55Å; P129-Y213 HydrophobicContact CG-CD2 3.81Å; P129-Y213 HydrophobicContact CG-CE1 3.89Å; P129-Y213 HydrophobicContact CG-CE2 4.15Å; P129-Y213 HydrophobicContact CG-CG 3.49Å; P129-Y213 VanDerWaalsContact CG-CG 3.49Å
130	D	93.5	Very high	95.6	Very high	91 Å²	91	55.4 Å²	55.4	49%	0.487	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-56.9	-28	176.6	-57.7	-70.6	0	0	0	112.9	R128 L132 Y164	R128-D130 IonicContact NE-OD2 3.2Å; R128-D130 PolarHBondContact O-N 2.84Å; D130-L132 VanDerWaalsContact C-N 3.32Å; D130-Y164 WeakPolarHBondContact OD1-CE1 3.26Å
131	E	95.6	Very high	95.1	Very high	64 Å²	64	56.9 Å²	56.9	30%	0.299	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-79	-16.3	-178.2	-65.4	167.1	-175.4	0	0	112.1	I126 S127 R128 P129 E133 H134 H135	I126-E131 WeakPolarHBondContact CA-OE2 3.18Å; I126-E131 HydrophobicContact CD1-CB 4.14Å; I126-E131 HydrophobicContact CG1-CB 3.77Å; I126-E131 VanDerWaalsContact CG1-OE2 3.31Å; I126-E131 WeakPolarHBondContact CG1-OE2 3.46Å; S127-E131 PolarHBondContact N-OE2 2.81Å; S127-E131 PolarHBondContact OG-OE1 3.47Å; S127-E131 VanDerWaalsContact OG-OE1 3.1Å; R128-E131 WeakPolarHBondContact O-CB 3.46Å; R128-E131 PolarHBondContact O-N 3.37Å; R128-E131 VanDerWaalsContact O-N 3.13Å; P129-E131 PolarHBondContact O-N 2.84Å; P129-E131 VanDerWaalsContact O-N 3.14Å; E131-E133 PolarHBondContact O-N 2.69Å; E131-H134 WeakPolarHBondContact O-CB 3.43Å; E131-H134 PolarHBondContact O-N 2.98Å; E131-H135 PolarHBondContact O-CD2 2.93Å; E131-H135 VanDerWaalsContact O-CD2 3.28Å
132	L	95.8	Very high	94.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-56.1	-26.6	-175.5	-71.5	169.4	0	0	0	113.7	I126 P129 D130 H134 H135 W151 F153 V166 I188 F209	I126-L132 HydrophobicContact CD1-CD2 3.63Å; I126-L132 HydrophobicContact CD1-CG 4.04Å; P129-L132 HydrophobicContact CB-CD1 4.21Å; P129-L132 VanDerWaalsContact O-CB 3.26Å; P129-L132 WeakPolarHBondContact O-CB 3.46Å; P129-L132 WeakPolarHBondContact O-CD1 3.43Å; P129-L132 VanDerWaalsContact O-CG 3.26Å; P129-L132 WeakPolarHBondContact O-CG 3.4Å; P129-L132 PolarHBondContact O-N 3.15Å; D130-L132 VanDerWaalsContact C-N 3.32Å; L132-H134 PolarHBondContact O-N 3.41Å; L132-H134 VanDerWaalsContact O-N 3.12Å; L132-H135 PolarHBondContact O-N 3.41Å; L132-H135 VanDerWaalsContact O-N 3.14Å; L132-W151 HydrophobicContact CD1-CE3 3.94Å; L132-W151 HydrophobicContact CD1-CZ3 4.45Å; L132-W151 HydrophobicContact CD2-CZ3 4.3Å; L132-F153 HydrophobicContact CD1-CE2 3.64Å; L132-F153 HydrophobicContact CD1-CZ 4.1Å; L132-V166 HydrophobicContact CB-CG1 3.82Å; L132-V166 HydrophobicContact CD1-CG1 4.11Å; L132-I188 HydrophobicContact CD2-CD1 3.67Å; L132-I188 HydrophobicContact CD2-CG2 4.26Å; L132-F209 HydrophobicContact CD1-CZ 4.08Å; L132-F209 HydrophobicContact CD2-CZ 4.13Å; L132-F209 HydrophobicContact CG-CZ 4.12Å
133	E	94.4	Very high	93.2	Very high	75 Å²	75	50.8 Å²	50.8	35%	0.35	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-59.9	-22.2	175.7	-176.2	167.8	-164.9	0	0	112.9	E131 R165 K167	E131-E133 PolarHBondContact O-N 2.69Å; E133-R165 WeakPolarHBondContact CA-O 3.21Å; E133-R165 WeakPolarHBondContact CB-O 2.96Å; E133-K167 HydrophobicContact CG-CD 4.44Å; E133-K167 WeakPolarHBondContact OE1-CE 3.34Å; E133-K167 IonicContact OE1-NZ 2.74Å; E133-K167 PolarHBondContact OE1-NZ 3.08Å
134	H	94.8	Very high	92.1	Very high	156 Å²	156	45 Å²	45	72%	0.722	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-99.7	2.2	-178.5	-56.8	-49.9	0	0	0	114	E131 L132	E131-H134 WeakPolarHBondContact O-CB 3.43Å; E131-H134 PolarHBondContact O-N 2.98Å; L132-H134 PolarHBondContact O-N 3.41Å; L132-H134 VanDerWaalsContact O-N 3.12Å
135	H	97.3	Very high	90.7	Very high	24 Å²	24	42 Å²	42	11%	0.111	22%	0.217	C	C	.	.	S	Bend	trans	-110.7	158.8	-178.9	-72.8	-101.3	0	0	0	111.8	Y120 H124 P125 E131 L132 C137 K167 I188	Y120-H135 AromaticContact CE1-ND1 3.91Å; Y120-H135 WeakPolarHBondContact OH-CB 3.38Å; Y120-H135 PolarHBondContact OH-ND1 3.04Å; H124-H135 PolarHBondContact O-CE1 3.27Å; H124-H135 VanDerWaalsContact O-CE1 3.28Å; P125-H135 PolarHBondContact O-CE1 3.35Å; E131-H135 PolarHBondContact O-CD2 2.93Å; E131-H135 VanDerWaalsContact O-CD2 3.28Å; L132-H135 PolarHBondContact O-N 3.41Å; L132-H135 VanDerWaalsContact O-N 3.14Å; H135-C137 PolarHBondContact O-N 2.92Å; H135-K167 VanDerWaalsContact O-O 3.06Å; H135-I188 HydrophobicContact CB-CD1 3.61Å; H135-I188 HydrophobicContact CB-CG1 4.45Å
136	S	96.8	Very high	89.4	Confident	32 Å²	32	42.6 Å²	42.6	22%	0.224	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	102.7	167.8	-178.8	0	0	0	0	108.7	Y120 L186 G187 I188	Y120-S136 PolarHBondContact OH-N 2.78Å; Y120-S136 PolarHBondContact OH-O 2.98Å; S136-L186 PolarHBondContact OG-O 2.79Å; S136-G187 CarbonylContact O-C 3.58Å; S136-G187 WeakPolarHBondContact O-CA 3.44Å; S136-I188 PolarHBondContact O-N 2.78Å
137	C	97.3	Very high	88.2	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	146.1	171.5	-66.3	0	0	0	0	110.8	H135 L139 W151 V166 K167 G168 I188	H135-C137 PolarHBondContact O-N 2.92Å; C137-L139 HydrophobicContact CB-CD2 4.09Å; C137-W151 HydrophobicContact CB-CH2 3.85Å; C137-W151 HydrophobicContact CB-CZ2 3.8Å; C137-V166 HydrophobicContact CB-CB 3.99Å; C137-V166 HydrophobicContact CB-CG2 4.19Å; C137-K167 WeakPolarHBondContact CB-O 3.33Å; C137-K167 PolarHBondContact N-O 3.13Å; C137-G168 WeakPolarHBondContact O-CA 3.42Å; C137-I188 CarbonylContact C-O 3.27Å; C137-I188 WeakPolarHBondContact CA-O 3.25Å
138	I	97	Very high	87.3	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	114.1	174.3	-60.9	155.1	0	0	0	106.8	Y170 A178 L181 A182 I188 V189	I138-Y170 HydrophobicContact CG1-CD2 4.44Å; I138-A178 HydrophobicContact CG2-CB 3.59Å; I138-L181 HydrophobicContact CD1-CB 3.73Å; I138-L181 HydrophobicContact CG1-CB 4.22Å; I138-L181 HydrophobicContact CG2-CB 4.37Å; I138-L181 HydrophobicContact CG2-CD1 3.93Å; I138-A182 HydrophobicContact CD1-CB 3.75Å; I138-A182 VanDerWaalsContact CD1-N 3.32Å; I138-I188 PolarHBondContact N-O 3.36Å; I138-V189 HydrophobicContact CD1-CB 4.34Å
139	L	93.9	Very high	86.9	Confident	5 Å²	5	42 Å²	42	3%	0.026	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	143.7	-166.4	-51	175.7	0	0	0	110.7	C137 N149 V166 Y170 V171 C172	C137-L139 HydrophobicContact CB-CD2 4.09Å; L139-N149 HydrophobicContact CD1-CB 4.29Å; L139-N149 VanDerWaalsContact CD1-CG 3.43Å; L139-N149 WeakPolarHBondContact CD1-ND2 3.34Å; L139-N149 WeakPolarHBondContact CD1-OD1 3.31Å; L139-N149 HydrophobicContact CD2-CB 3.93Å; L139-V166 HydrophobicContact CD2-CG2 3.6Å; L139-Y170 PolarHBondContact N-O 2.92Å; L139-V171 HydrophobicContact CB-CG2 4.23Å; L139-V171 HydrophobicContact CD1-CG2 4.05Å; L139-C172 PolarHBondContact O-N 2.91Å
140	I	90.9	Very high	86.6	Confident	11 Å²	11	43.5 Å²	43.5	6%	0.056	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	117.1	171	-58.3	-61	0	0	0	107.8	S142 M143 C172 A178	I140-S142 PolarHBondContact O-N 2.84Å; I140-M143 HydrophobicContact CB-CB 4.44Å; I140-M143 HydrophobicContact CB-CG 4.38Å; I140-M143 HydrophobicContact CB-SD 4.47Å; I140-M143 HydrophobicContact CG2-CG 4.3Å; I140-M143 PolarHBondContact O-N 2.93Å; I140-C172 CarbonylContact C-O 3.59Å; I140-C172 WeakPolarHBondContact CA-O 3.37Å; I140-C172 HydrophobicContact CD1-CB 4.22Å; I140-A178 HydrophobicContact CD1-CB 3.59Å
141	D	86.4	Confident	86.6	Confident	44 Å²	44	39.6 Å²	39.6	24%	0.235	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-56.6	-37.7	-171.6	-170.6	41.5	0	0	0	112.2	R75 M143 M144 V171 C172	R75-D141 IonicContact CZ-OD1 3.66Å; R75-D141 IonicContact NE-OD1 2.93Å; R75-D141 PolarHBondContact NE-OD1 2.87Å; R75-D141 VanDerWaalsContact NE-OD1 3.08Å; R75-D141 IonicContact NH2-OD1 3.46Å; R75-D141 PolarHBondContact NH2-OD1 2.86Å; D141-M143 VanDerWaalsContact C-N 3.26Å; D141-M143 PolarHBondContact O-N 2.73Å; D141-M144 WeakPolarHBondContact O-CB 3.18Å; D141-M144 PolarHBondContact O-N 2.9Å; D141-V171 HydrophobicContact CB-CG1 4.04Å; D141-C172 PolarHBondContact N-O 2.93Å
142	S	79.6	Confident	86.4	Confident	10 Å²	10	39.5 Å²	39.5	7%	0.07	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-68.3	-18.8	179.3	74.4	0	0	0	0	115.3	L73 F78 I140	L73-S142 VanDerWaalsContact CB-CB 3.42Å; L73-S142 VanDerWaalsContact O-CB 3.24Å; L73-S142 WeakPolarHBondContact O-CB 3.36Å; F78-S142 VanDerWaalsContact CB-O 3.32Å; F78-S142 WeakPolarHBondContact CB-O 3.24Å; I140-S142 PolarHBondContact O-N 2.84Å
143	M	76	Confident	86.2	Confident	18 Å²	18	39.5 Å²	39.5	9%	0.089	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-97.5	-3.5	-179.7	-67.5	-174.5	173.4	0	0	112.7	I140 D141 F190 W215 L217	I140-M143 HydrophobicContact CB-CB 4.44Å; I140-M143 HydrophobicContact CB-CG 4.38Å; I140-M143 HydrophobicContact CB-SD 4.47Å; I140-M143 HydrophobicContact CG2-CG 4.3Å; I140-M143 PolarHBondContact O-N 2.93Å; D141-M143 VanDerWaalsContact C-N 3.26Å; D141-M143 PolarHBondContact O-N 2.73Å; M143-F190 HydrophobicContact SD-CD1 3.91Å; M143-F190 HydrophobicContact SD-CE1 4.25Å; M143-W215 HydrophobicContact SD-CZ3 4.21Å; M143-L217 HydrophobicContact CE-CD1 3.8Å
144	M	73.5	Confident	86	Confident	14 Å²	14	37.2 Å²	37.2	7%	0.069	19%	0.192	C	C	.	.			trans	-70.1	141.9	176.3	-64.6	-177	51.8	0	0	110.9	R75 D141 N149 V171	R75-M144 PolarHBondContact NH2-SD 3.03Å; D141-M144 WeakPolarHBondContact O-CB 3.18Å; D141-M144 PolarHBondContact O-N 2.9Å; M144-N149 WeakPolarHBondContact CE-OD1 3.28Å; M144-N149 PolarHBondContact SD-OD1 3.22Å; M144-V171 HydrophobicContact SD-CG1 4.46Å
145	I	67.6	Low	85.3	Confident	30 Å²	30	31.4 Å²	31.4	15%	0.154	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-107.7	110.7	174	-59.6	175.6	0	0	0	106.3	Y79 D147 A148 I150 R152	Y79-I145 HydrophobicContact CD2-CG1 4.28Å; Y79-I145 HydrophobicContact CE1-CD1 4.26Å; Y79-I145 HydrophobicContact CE1-CG1 4.27Å; Y79-I145 HydrophobicContact CE2-CB 4.43Å; Y79-I145 HydrophobicContact CE2-CD1 4.24Å; Y79-I145 HydrophobicContact CE2-CG1 3.39Å; Y79-I145 WeakPolarHBondContact OH-CD1 3.41Å; Y79-I145 VanDerWaalsContact OH-CG1 3.25Å; Y79-I145 WeakPolarHBondContact OH-CG1 3.31Å; I145-D147 PolarHBondContact O-N 3.41Å; I145-A148 PolarHBondContact N-O 2.95Å; I145-A148 VanDerWaalsContact N-O 3.09Å; I145-A148 CarbonylContact O-C 3.5Å; I145-A148 WeakPolarHBondContact O-CA 3.47Å; I145-A148 WeakPolarHBondContact O-CB 3.44Å; I145-A148 PolarHBondContact O-N 2.84Å; I145-I150 HydrophobicContact CB-CD1 4.28Å; I145-I150 HydrophobicContact CD1-CB 4.01Å; I145-I150 HydrophobicContact CD1-CD1 4.08Å; I145-I150 HydrophobicContact CD1-CG2 4.21Å; I145-I150 HydrophobicContact CG1-CB 4.49Å; I145-R152 VanDerWaalsContact CD1-NH2 3.29Å
146	D	70	Confident	84.2	Confident	112 Å²	112	31.9 Å²	31.9	60%	0.599	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	-130.6	-173.5	-52.8	-46.7	0	0	0	111.3	R75 A148	R75-D146 PolarHBondContact NH1-O 2.86Å; D146-A148 VanDerWaalsContact C-N 3.33Å
147	D	72.1	Confident	83	Confident	146 Å²	146	34.8 Å²	34.8	78%	0.781	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	5.3	171	-66.4	-39.5	0	0	0	112.9	R75 I145	R75-D147 IonicContact NH1-OD1 2.88Å; I145-D147 PolarHBondContact O-N 3.41Å
148	A	72.9	Confident	82.2	Confident	22 Å²	22	37.3 Å²	37.3	18%	0.182	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-94.5	129.1	177.3	0	0	0	0	0	111	I145 D146 I150	I145-A148 PolarHBondContact N-O 2.95Å; I145-A148 VanDerWaalsContact N-O 3.09Å; I145-A148 CarbonylContact O-C 3.5Å; I145-A148 WeakPolarHBondContact O-CA 3.47Å; I145-A148 WeakPolarHBondContact O-CB 3.44Å; I145-A148 PolarHBondContact O-N 2.84Å; D146-A148 VanDerWaalsContact C-N 3.33Å; A148-I150 HydrophobicContact CB-CD1 3.92Å; A148-I150 HydrophobicContact CB-CG1 3.87Å; A148-I150 PolarHBondContact O-N 2.79Å
149	N	85	Confident	81.4	Confident	27 Å²	27	46.7 Å²	46.7	14%	0.144	27%	0.27	C	S	.	.			trans	-85.6	101.6	168.2	-47.7	-50.5	0	0	0	107.7	L139 M144 R165 V166	L139-N149 HydrophobicContact CD1-CB 4.29Å; L139-N149 VanDerWaalsContact CD1-CG 3.43Å; L139-N149 WeakPolarHBondContact CD1-ND2 3.34Å; L139-N149 WeakPolarHBondContact CD1-OD1 3.31Å; L139-N149 HydrophobicContact CD2-CB 3.93Å; M144-N149 WeakPolarHBondContact CE-OD1 3.28Å; M144-N149 PolarHBondContact SD-OD1 3.22Å; N149-R165 WeakPolarHBondContact O-CA 3.45Å; N149-V166 HydrophobicContact CB-CG2 3.48Å; N149-V166 VanDerWaalsContact CB-CG2 3.48Å; N149-V166 WeakPolarHBondContact CB-O 3.47Å; N149-V166 PolarHBondContact ND2-O 3.22Å; N149-V166 PolarHBondContact O-N 2.94Å
150	I	89	Confident	81.2	Confident	33 Å²	33	51 Å²	51	17%	0.169	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	120.4	-178.9	-61.1	179.2	0	0	0	108	I145 A148 R152 D163 Y164	I145-I150 HydrophobicContact CB-CD1 4.28Å; I145-I150 HydrophobicContact CD1-CB 4.01Å; I145-I150 HydrophobicContact CD1-CD1 4.08Å; I145-I150 HydrophobicContact CD1-CG2 4.21Å; I145-I150 HydrophobicContact CG1-CB 4.49Å; A148-I150 HydrophobicContact CB-CD1 3.92Å; A148-I150 HydrophobicContact CB-CG1 3.87Å; A148-I150 PolarHBondContact O-N 2.79Å; I150-R152 HydrophobicContact CG2-CG 4.44Å; I150-D163 HydrophobicContact CG2-CB 3.63Å; I150-Y164 WeakPolarHBondContact CA-O 3.49Å
151	W	92.8	Very high	81.1	Confident	9 Å²	9	53.6 Å²	53.6	3%	0.034	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	141.2	166.2	-69.7	3.9	0	0	0	108.7	A114 L132 C137 F153 Y164 V166 I188 F190	A114-W151 HydrophobicContact CB-CZ3 4.09Å; L132-W151 HydrophobicContact CD1-CE3 3.94Å; L132-W151 HydrophobicContact CD1-CZ3 4.45Å; L132-W151 HydrophobicContact CD2-CZ3 4.3Å; C137-W151 HydrophobicContact CB-CH2 3.85Å; C137-W151 HydrophobicContact CB-CZ2 3.8Å; W151-F153 HydrophobicContact CB-CE2 3.94Å; W151-F153 HydrophobicContact CB-CZ 4.5Å; W151-F153 HydrophobicContact CE3-CE2 4.33Å; W151-F153 HydrophobicContact CE3-CZ 4.04Å; W151-Y164 PolarHBondContact N-O 2.84Å; W151-Y164 PolarHBondContact O-N 2.79Å; W151-V166 HydrophobicContact CB-CG1 4.09Å; W151-V166 HydrophobicContact CD2-CG1 3.82Å; W151-V166 HydrophobicContact CD2-CG2 4.24Å; W151-V166 HydrophobicContact CE3-CG1 4.12Å; W151-V166 HydrophobicContact CG-CG1 3.81Å; W151-V166 HydrophobicContact CG-CG2 4.12Å; W151-I188 HydrophobicContact CH2-CB 4.47Å; W151-I188 HydrophobicContact CH2-CG2 4Å; W151-I188 HydrophobicContact CZ3-CG2 3.84Å; W151-F190 HydrophobicContact CB-CE1 4.39Å; W151-F190 HydrophobicContact CD2-CB 3.9Å; W151-F190 HydrophobicContact CD2-CD1 4.1Å; W151-F190 HydrophobicContact CD2-CD2 4.3Å; W151-F190 AromaticContact CD2-CG 3.9Å; W151-F190 HydrophobicContact CD2-CG 3.9Å; W151-F190 HydrophobicContact CE3-CB 3.97Å; W151-F190 AromaticContact CE3-CD2 4Å; W151-F190 HydrophobicContact CE3-CD2 4Å; W151-F190 AromaticContact CE3-CG 4Å; W151-F190 HydrophobicContact CE3-CG 4Å; W151-F190 HydrophobicContact CG-CD1 4.11Å; W151-F190 HydrophobicContact CG-CE1 4.29Å; W151-F190 HydrophobicContact CG-CG 4.37Å; W151-F190 HydrophobicContact CH2-CB 3.63Å; W151-F190 HydrophobicContact CZ2-CB 3.53Å; W151-F190 HydrophobicContact CZ2-CG 4.43Å; W151-F190 HydrophobicContact CZ3-CB 3.83Å; W151-F190 HydrophobicContact CZ3-CD2 4.33Å; W151-F190 HydrophobicContact CZ3-CG 4.3Å
152	R	92.1	Very high	81.3	Confident	62 Å²	62	56.8 Å²	56.8	23%	0.234	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	146.2	178.9	-62	-165.7	165.5	147.9	3.6	109.2	I145 I150 V161 R162 D163 F190 W215	I145-R152 VanDerWaalsContact CD1-NH2 3.29Å; I150-R152 HydrophobicContact CG2-CG 4.44Å; R152-V161 HydrophobicContact CB-CG1 3.77Å; R152-V161 HydrophobicContact CG-CG1 4.32Å; R152-R162 WeakPolarHBondContact CA-O 3.46Å; R152-D163 WeakPolarHBondContact CD-OD1 3.29Å; R152-D163 VanDerWaalsContact CG-OD1 3.27Å; R152-D163 WeakPolarHBondContact CG-OD1 3.17Å; R152-D163 IonicContact CZ-OD1 3.7Å; R152-D163 IonicContact NE-OD1 3.5Å; R152-D163 PolarHBondContact NE-OD1 3.28Å; R152-D163 IonicContact NE-OD2 3.49Å; R152-D163 IonicContact NH2-OD2 2.67Å; R152-F190 WeakPolarHBondContact O-CZ 3.48Å; R152-W215 HydrophobicContact CB-CD2 3.83Å; R152-W215 HydrophobicContact CB-CE3 4.3Å; R152-W215 HydrophobicContact CB-CG 3.95Å; R152-W215 HydrophobicContact CB-CZ2 4.5Å; R152-W215 HydrophobicContact CG-CZ2 4.49Å; R152-W215 VanDerWaalsContact O-CB 3.28Å; R152-W215 WeakPolarHBondContact O-CB 3.5Å
153	F	91.9	Very high	82	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	139.8	169.4	-61.8	-86.1	0	0	0	109.6	A114 P129 L132 W151 V161 R162 Y164 F190 F209 Y213	A114-F153 HydrophobicContact CB-CE1 4.46Å; A114-F153 HydrophobicContact CB-CZ 4.15Å; P129-F153 HydrophobicContact CB-CD2 3.89Å; P129-F153 HydrophobicContact CB-CE2 4.12Å; P129-F153 HydrophobicContact CG-CD2 4.2Å; P129-F153 HydrophobicContact CG-CG 4.43Å; L132-F153 HydrophobicContact CD1-CE2 3.64Å; L132-F153 HydrophobicContact CD1-CZ 4.1Å; W151-F153 HydrophobicContact CB-CE2 3.94Å; W151-F153 HydrophobicContact CB-CZ 4.5Å; W151-F153 HydrophobicContact CE3-CE2 4.33Å; W151-F153 HydrophobicContact CE3-CZ 4.04Å; F153-V161 WeakPolarHBondContact O-CA 3.3Å; F153-R162 PolarHBondContact N-O 3.25Å; F153-R162 PolarHBondContact O-N 3.44Å; F153-Y164 HydrophobicContact CB-CD2 4.48Å; F153-Y164 HydrophobicContact CB-CE2 3.98Å; F153-Y164 AromaticContact CD2-CD2 3.55Å; F153-Y164 HydrophobicContact CD2-CD2 3.55Å; F153-Y164 AromaticContact CD2-CE2 3.83Å; F153-Y164 HydrophobicContact CD2-CE2 3.83Å; F153-Y164 HydrophobicContact CD2-CG 4.36Å; F153-Y164 HydrophobicContact CE2-CD2 4.34Å; F153-Y164 HydrophobicContact CG-CD2 4.49Å; F153-Y164 HydrophobicContact CG-CE2 4.39Å; F153-F190 HydrophobicContact CD1-CE2 4.2Å; F153-F190 HydrophobicContact CE1-CD2 4.19Å; F153-F190 AromaticContact CE1-CE2 3.45Å; F153-F190 HydrophobicContact CE1-CE2 3.45Å; F153-F190 VanDerWaalsContact CE1-CE2 3.45Å; F153-F190 HydrophobicContact CE1-CZ 4.25Å; F153-F190 HydrophobicContact CZ-CD2 4.1Å; F153-F190 AromaticContact CZ-CE2 3.63Å; F153-F190 HydrophobicContact CZ-CE2 3.63Å; F153-F190 HydrophobicContact CZ-CZ 4.34Å; F153-F209 HydrophobicContact CE1-CE2 4.08Å; F153-F209 AromaticContact CZ-CE2 4Å; F153-F209 HydrophobicContact CZ-CE2 4Å; F153-Y213 HydrophobicContact CB-CD1 4.35Å; F153-Y213 VanDerWaalsContact CD1-O 3.29Å; F153-Y213 WeakPolarHBondContact CD1-O 3.48Å
154	N	89.3	Confident	82.8	Confident	26 Å²	26	60.3 Å²	60.3	14%	0.139	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	133.6	159.8	-70.3	95.7	0	0	0	108.7	A156 K159 E160 V161 E214	N154-A156 PolarHBondContact O-N 2.72Å; N154-K159 PolarHBondContact ND2-O 2.72Å; N154-E160 CarbonylContact C-O 3.56Å; N154-E160 WeakPolarHBondContact CA-O 3.41Å; N154-V161 WeakPolarHBondContact ND2-CG2 3.36Å; N154-E214 VanDerWaalsContact CB-O 3.26Å; N154-E214 WeakPolarHBondContact CB-O 3.49Å; N154-E214 PolarHBondContact N-O 2.86Å; N154-E214 PolarHBondContact OD1-O 3.42Å
155	V	80.8	Confident	83.7	Confident	35 Å²	35	65.8 Å²	65.8	21%	0.212	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-63.1	132.3	169.1	177.2	0	0	0	0	107.4	G157 S158 E160 R162	V155-G157 PolarHBondContact O-N 2.89Å; V155-G157 VanDerWaalsContact O-N 3.16Å; V155-S158 WeakPolarHBondContact O-CA 3.29Å; V155-S158 WeakPolarHBondContact O-CB 3.34Å; V155-S158 PolarHBondContact O-N 2.91Å; V155-E160 HydrophobicContact CG2-CB 4.46Å; V155-E160 PolarHBondContact N-O 2.82Å; V155-R162 HydrophobicContact CG2-CG 3.93Å
156	A	73.7	Confident	85	Confident	33 Å²	33	64.3 Å²	64.3	27%	0.273	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	123.6	-177.2	0	0	0	0	0	111.4	N154 S158 Q211	N154-A156 PolarHBondContact O-N 2.72Å; A156-S158 VanDerWaalsContact C-N 3.29Å; A156-S158 PolarHBondContact O-N 2.96Å; A156-Q211 HydrophobicContact CB-CB 4.06Å
157	G	72.3	Confident	86.1	Confident	94 Å²	94	63.2 Å²	63.2	97%	0.969	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	5.1	-177.7	0	0	0	0	0	115.9	V155	V155-G157 PolarHBondContact O-N 2.89Å; V155-G157 VanDerWaalsContact O-N 3.16Å
158	S	80	Confident	87	Confident	52 Å²	52	57.4 Å²	57.4	36%	0.364	31%	0.308	S	S	.	.	S	Bend	trans	-125.3	153.2	-178.9	179.6	0	0	0	0	112.1	V155 A156 E160	V155-S158 WeakPolarHBondContact O-CA 3.29Å; V155-S158 WeakPolarHBondContact O-CB 3.34Å; V155-S158 PolarHBondContact O-N 2.91Å; A156-S158 VanDerWaalsContact C-N 3.29Å; A156-S158 PolarHBondContact O-N 2.96Å; S158-E160 VanDerWaalsContact C-N 3.27Å; S158-E160 VanDerWaalsContact OG-CB 3.31Å; S158-E160 WeakPolarHBondContact OG-CB 3.46Å; S158-E160 PolarHBondContact OG-N 3Å
159	K	80.3	Confident	88	Confident	198 Å²	198	63.2 Å²	63.2	86%	0.861	34%	0.336	S	S	*	.	S	Bend	trans	-81	-8.3	169	-66.4	-172.9	178	-176.2	0	112.8	N154 V161	N154-K159 PolarHBondContact ND2-O 2.72Å; K159-V161 PolarHBondContact O-N 3.19Å
160	E	88.4	Confident	88.5	Confident	95 Å²	95	65.8 Å²	65.8	44%	0.444	35%	0.345	S	S	.	.			trans	-64.7	122.9	176.3	-172.7	-171	149.8	0	0	110	N154 V155 S158 R162	N154-E160 CarbonylContact C-O 3.56Å; N154-E160 WeakPolarHBondContact CA-O 3.41Å; V155-E160 HydrophobicContact CG2-CB 4.46Å; V155-E160 PolarHBondContact N-O 2.82Å; S158-E160 VanDerWaalsContact C-N 3.27Å; S158-E160 VanDerWaalsContact OG-CB 3.31Å; S158-E160 WeakPolarHBondContact OG-CB 3.46Å; S158-E160 PolarHBondContact OG-N 3Å; E160-R162 IonicContact OE1-CZ 3.85Å; E160-R162 IonicContact OE1-NE 2.85Å; E160-R162 PolarHBondContact OE1-NE 3Å; E160-R162 IonicContact OE1-NH2 3.62Å; E160-R162 PolarHBondContact OE1-NH2 2.82Å; E160-R162 IonicContact OE2-NH2 3.59Å
161	V	89.1	Confident	88.8	Confident	65 Å²	65	68.1 Å²	68.1	39%	0.394	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	133.6	173.7	179.5	0	0	0	0	108.6	R152 F153 N154 K159	R152-V161 HydrophobicContact CB-CG1 3.77Å; R152-V161 HydrophobicContact CG-CG1 4.32Å; F153-V161 WeakPolarHBondContact O-CA 3.3Å; N154-V161 WeakPolarHBondContact ND2-CG2 3.36Å; K159-V161 PolarHBondContact O-N 3.19Å
162	R	91.9	Very high	88.8	Confident	111 Å²	111	68.3 Å²	68.3	42%	0.419	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	145.3	173.2	-69.5	-172.5	-176.9	175.5	4.9	111.2	R152 F153 V155 E160 Y164	R152-R162 WeakPolarHBondContact CA-O 3.46Å; F153-R162 PolarHBondContact N-O 3.25Å; F153-R162 PolarHBondContact O-N 3.44Å; V155-R162 HydrophobicContact CG2-CG 3.93Å; E160-R162 IonicContact OE1-CZ 3.85Å; E160-R162 IonicContact OE1-NE 2.85Å; E160-R162 PolarHBondContact OE1-NE 3Å; E160-R162 IonicContact OE1-NH2 3.62Å; E160-R162 PolarHBondContact OE1-NH2 2.82Å; E160-R162 IonicContact OE2-NH2 3.59Å; R162-Y164 HydrophobicContact CB-CD2 4.44Å; R162-Y164 HydrophobicContact CB-CE2 3.57Å; R162-Y164 VanDerWaalsContact O-CD2 3.31Å; R162-Y164 WeakPolarHBondContact O-CD2 3.07Å; R162-Y164 VanDerWaalsContact O-CE2 3.28Å; R162-Y164 WeakPolarHBondContact O-CE2 3.06Å
163	D	92.7	Very high	88.8	Confident	86 Å²	86	69.6 Å²	69.6	46%	0.46	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	131.1	178.5	-75.6	10	0	0	0	109.5	I150 R152	I150-D163 HydrophobicContact CG2-CB 3.63Å; R152-D163 WeakPolarHBondContact CD-OD1 3.29Å; R152-D163 VanDerWaalsContact CG-OD1 3.27Å; R152-D163 WeakPolarHBondContact CG-OD1 3.17Å; R152-D163 IonicContact CZ-OD1 3.7Å; R152-D163 IonicContact NE-OD1 3.5Å; R152-D163 PolarHBondContact NE-OD1 3.28Å; R152-D163 IonicContact NE-OD2 3.49Å; R152-D163 IonicContact NH2-OD2 2.67Å
164	Y	93.1	Very high	88.8	Confident	17 Å²	17	70.7 Å²	70.7	7%	0.067	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	121.6	179.9	-59.2	-91.3	0	0	0	109.1	P129 D130 I150 W151 F153 R162 V166	P129-Y164 HydrophobicContact CB-CD1 3.68Å; P129-Y164 HydrophobicContact CB-CD2 4.04Å; P129-Y164 HydrophobicContact CB-CE1 3.58Å; P129-Y164 HydrophobicContact CB-CE2 3.92Å; P129-Y164 HydrophobicContact CB-CG 3.89Å; D130-Y164 WeakPolarHBondContact OD1-CE1 3.26Å; I150-Y164 WeakPolarHBondContact CA-O 3.49Å; W151-Y164 PolarHBondContact N-O 2.84Å; W151-Y164 PolarHBondContact O-N 2.79Å; F153-Y164 HydrophobicContact CB-CD2 4.48Å; F153-Y164 HydrophobicContact CB-CE2 3.98Å; F153-Y164 AromaticContact CD2-CD2 3.55Å; F153-Y164 HydrophobicContact CD2-CD2 3.55Å; F153-Y164 AromaticContact CD2-CE2 3.83Å; F153-Y164 HydrophobicContact CD2-CE2 3.83Å; F153-Y164 HydrophobicContact CD2-CG 4.36Å; F153-Y164 HydrophobicContact CE2-CD2 4.34Å; F153-Y164 HydrophobicContact CG-CD2 4.49Å; F153-Y164 HydrophobicContact CG-CE2 4.39Å; R162-Y164 HydrophobicContact CB-CD2 4.44Å; R162-Y164 HydrophobicContact CB-CE2 3.57Å; R162-Y164 VanDerWaalsContact O-CD2 3.31Å; R162-Y164 WeakPolarHBondContact O-CD2 3.07Å; R162-Y164 VanDerWaalsContact O-CE2 3.28Å; R162-Y164 WeakPolarHBondContact O-CE2 3.06Å; Y164-V166 PolarHBondContact O-N 3.46Å
165	R	93.2	Very high	88.9	Confident	128 Å²	128	71.2 Å²	71.2	48%	0.483	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	128.4	177	-178.1	169.5	167.2	86.3	-1.7	109.4	E133 N149	E133-R165 WeakPolarHBondContact CA-O 3.21Å; E133-R165 WeakPolarHBondContact CB-O 2.96Å; N149-R165 WeakPolarHBondContact O-CA 3.45Å
166	V	94.4	Very high	89.5	Confident	0 Å²	0	74 Å²	74	0%	0	40%	0.395	C	S	.	.			trans	-116.4	162.3	177.8	-54.6	0	0	0	0	111.1	L132 C137 L139 N149 W151 Y164	L132-V166 HydrophobicContact CB-CG1 3.82Å; L132-V166 HydrophobicContact CD1-CG1 4.11Å; C137-V166 HydrophobicContact CB-CB 3.99Å; C137-V166 HydrophobicContact CB-CG2 4.19Å; L139-V166 HydrophobicContact CD2-CG2 3.6Å; N149-V166 HydrophobicContact CB-CG2 3.48Å; N149-V166 VanDerWaalsContact CB-CG2 3.48Å; N149-V166 WeakPolarHBondContact CB-O 3.47Å; N149-V166 PolarHBondContact ND2-O 3.22Å; N149-V166 PolarHBondContact O-N 2.94Å; W151-V166 HydrophobicContact CB-CG1 4.09Å; W151-V166 HydrophobicContact CD2-CG1 3.82Å; W151-V166 HydrophobicContact CD2-CG2 4.24Å; W151-V166 HydrophobicContact CE3-CG1 4.12Å; W151-V166 HydrophobicContact CG-CG1 3.81Å; W151-V166 HydrophobicContact CG-CG2 4.12Å; Y164-V166 PolarHBondContact O-N 3.46Å
167	K	92.6	Very high	90.5	Very high	89 Å²	89	75 Å²	75	39%	0.387	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	148.3	175.5	-67	176.4	-171.1	151.2	0	109.1	E133 H135 C137	E133-K167 HydrophobicContact CG-CD 4.44Å; E133-K167 WeakPolarHBondContact OE1-CE 3.34Å; E133-K167 IonicContact OE1-NZ 2.74Å; E133-K167 PolarHBondContact OE1-NZ 3.08Å; H135-K167 VanDerWaalsContact O-O 3.06Å; C137-K167 WeakPolarHBondContact CB-O 3.33Å; C137-K167 PolarHBondContact N-O 3.13Å
168	G	92.6	Very high	91.7	Very high	23 Å²	23	70.6 Å²	70.6	24%	0.237	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	145.3	-171.7	0	0	0	0	0	111.8	C137	C137-G168 WeakPolarHBondContact O-CA 3.42Å
169	N	93.2	Very high	92.5	Very high	144 Å²	144	68.1 Å²	68.1	77%	0.77	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	-4.7	173.7	-65.1	-31.1	0	0	0	112.4
170	Y	96.1	Very high	93.3	Very high	82 Å²	82	62.6 Å²	62.6	32%	0.322	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	124.9	-176.7	-51.6	-76.2	0	0	0	109.5	I138 L139 L181 L186	I138-Y170 HydrophobicContact CG1-CD2 4.44Å; L139-Y170 PolarHBondContact N-O 2.92Å; Y170-L181 HydrophobicContact CD1-CD1 4.27Å; Y170-L181 HydrophobicContact CG-CD1 4.09Å; Y170-L186 HydrophobicContact CD2-CB 4.29Å; Y170-L186 HydrophobicContact CE1-CD1 4.18Å; Y170-L186 HydrophobicContact CE2-CB 3.7Å; Y170-L186 HydrophobicContact CE2-CD1 4.41Å; Y170-L186 HydrophobicContact CE2-CG 4.5Å
171	V	94.1	Very high	93.8	Very high	82 Å²	82	60 Å²	60	50%	0.497	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	125.8	176.4	-173.4	0	0	0	0	107.6	L139 D141 M144	L139-V171 HydrophobicContact CB-CG2 4.23Å; L139-V171 HydrophobicContact CD1-CG2 4.05Å; D141-V171 HydrophobicContact CB-CG1 4.04Å; M144-V171 HydrophobicContact SD-CG1 4.46Å
172	C	93.9	Very high	94.2	Very high	13 Å²	13	57 Å²	57	9%	0.088	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	147	179.2	-63.6	0	0	0	0	109.5	L139 I140 D141 N174 A178 L181	L139-C172 PolarHBondContact O-N 2.91Å; I140-C172 CarbonylContact C-O 3.59Å; I140-C172 WeakPolarHBondContact CA-O 3.37Å; I140-C172 HydrophobicContact CD1-CB 4.22Å; D141-C172 PolarHBondContact N-O 2.93Å; C172-N174 VanDerWaalsContact C-N 3.33Å; C172-A178 HydrophobicContact CB-CB 4.12Å; C172-L181 VanDerWaalsContact SG-CD1 3.59Å
173	D	91.1	Very high	94.5	Very high	88 Å²	88	53.9 Å²	53.9	47%	0.471	27%	0.273	S	S	.	.	S	Bend	trans	-86.6	-9.6	171.3	72.1	-31.3	0	0	0	112.2	N72	N72-D173 VanDerWaalsContact CB-O 3.31Å; N72-D173 WeakPolarHBondContact CB-O 3.37Å; N72-D173 VanDerWaalsContact CG-O 3.29Å; N72-D173 PolarHBondContact ND2-O 2.92Å; N72-D173 PolarHBondContact ND2-OD2 3.47Å
174	N	91.4	Very high	94.7	Very high	24 Å²	24	54.6 Å²	54.6	13%	0.128	28%	0.277	C	S	.	.	S	Bend	trans	-144.5	150.2	-176.4	75.8	82.6	0	0	0	112.4	C172 Q176 S177 A178	C172-N174 VanDerWaalsContact C-N 3.33Å; N174-Q176 VanDerWaalsContact C-N 3.32Å; N174-Q176 PolarHBondContact O-N 3Å; N174-Q176 WeakPolarHBondContact OD1-CA 3.48Å; N174-Q176 WeakPolarHBondContact OD1-CB 3.27Å; N174-Q176 PolarHBondContact OD1-N 3.37Å; N174-S177 PolarHBondContact ND2-OG 3.49Å; N174-S177 VanDerWaalsContact ND2-OG 3.09Å; N174-S177 PolarHBondContact OD1-N 3.46Å; N174-S177 PolarHBondContact OD1-OG 3Å; N174-A178 PolarHBondContact O-N 3.41Å
175	T	92	Very high	95	Very high	36 Å²	36	57.6 Å²	57.6	22%	0.221	29%	0.291	C	S	.	.	H	α-helix	trans	-66.1	-31	-178.8	-48.4	0	0	0	0	112.8	A178 L179 A191	T175-A178 PolarHBondContact O-N 3.17Å; T175-L179 HydrophobicContact CG2-CD1 4.01Å; T175-L179 HydrophobicContact CG2-CG 4.15Å; T175-L179 VanDerWaalsContact O-CG 3.24Å; T175-L179 WeakPolarHBondContact O-CG 3.29Å; T175-L179 PolarHBondContact O-N 2.96Å; T175-A191 HydrophobicContact CG2-CB 3.99Å
176	Q	92.7	Very high	95.2	Very high	95 Å²	95	54.2 Å²	54.2	44%	0.444	28%	0.282	S	S	.	.	H	α-helix	trans	-63.9	-48	-177.4	-173.4	65.1	30.4	0	0	111.3	N174 A178 L179 E180	N174-Q176 VanDerWaalsContact C-N 3.32Å; N174-Q176 PolarHBondContact O-N 3Å; N174-Q176 WeakPolarHBondContact OD1-CA 3.48Å; N174-Q176 WeakPolarHBondContact OD1-CB 3.27Å; N174-Q176 PolarHBondContact OD1-N 3.37Å; Q176-A178 VanDerWaalsContact C-N 3.31Å; Q176-A178 PolarHBondContact O-N 2.74Å; Q176-L179 PolarHBondContact O-N 3.47Å; Q176-E180 PolarHBondContact NE2-OE1 2.97Å; Q176-E180 PolarHBondContact O-N 3.49Å; Q176-E180 VanDerWaalsContact O-N 3.16Å
177	S	95.7	Very high	95.4	Very high	54 Å²	54	54.2 Å²	54.2	38%	0.378	28%	0.282	S	S	.	.	H	α-helix	trans	-61.3	-41.1	175	-61.7	0	0	0	0	111.4	N174 L179 E180 L181	N174-S177 PolarHBondContact ND2-OG 3.49Å; N174-S177 VanDerWaalsContact ND2-OG 3.09Å; N174-S177 PolarHBondContact OD1-N 3.46Å; N174-S177 PolarHBondContact OD1-OG 3Å; S177-L179 PolarHBondContact O-N 3.28Å; S177-E180 PolarHBondContact O-N 3.01Å; S177-L181 WeakPolarHBondContact O-CG 3.12Å; S177-L181 PolarHBondContact O-N 3.39Å
178	A	96.8	Very high	95.6	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.9	-39.7	177.6	0	0	0	0	0	113	I138 I140 C172 N174 T175 Q176 L181 A182 V189	I138-A178 HydrophobicContact CG2-CB 3.59Å; I140-A178 HydrophobicContact CD1-CB 3.59Å; C172-A178 HydrophobicContact CB-CB 4.12Å; N174-A178 PolarHBondContact O-N 3.41Å; T175-A178 PolarHBondContact O-N 3.17Å; Q176-A178 VanDerWaalsContact C-N 3.31Å; Q176-A178 PolarHBondContact O-N 2.74Å; A178-L181 PolarHBondContact O-N 3.46Å; A178-A182 PolarHBondContact O-N 3.2Å; A178-A182 VanDerWaalsContact O-N 3.11Å; A178-V189 HydrophobicContact CB-CG2 3.81Å
179	L	96.8	Very high	95.8	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-62.5	-44.2	175.5	-72.9	168.3	0	0	0	111.8	T175 Q176 S177 L181 A182 R183 V189 A191 V196 L205	T175-L179 HydrophobicContact CG2-CD1 4.01Å; T175-L179 HydrophobicContact CG2-CG 4.15Å; T175-L179 VanDerWaalsContact O-CG 3.24Å; T175-L179 WeakPolarHBondContact O-CG 3.29Å; T175-L179 PolarHBondContact O-N 2.96Å; Q176-L179 PolarHBondContact O-N 3.47Å; S177-L179 PolarHBondContact O-N 3.28Å; L179-L181 VanDerWaalsContact C-N 3.29Å; L179-L181 PolarHBondContact O-N 3.38Å; L179-A182 PolarHBondContact O-N 3.29Å; L179-A182 VanDerWaalsContact O-N 3.13Å; L179-R183 WeakPolarHBondContact O-CG 3.22Å; L179-R183 PolarHBondContact O-N 3.47Å; L179-V189 HydrophobicContact CD2-CG1 4.09Å; L179-V189 HydrophobicContact CD2-CG2 4.36Å; L179-A191 HydrophobicContact CD2-CB 4Å; L179-V196 HydrophobicContact CD2-CG1 3.39Å; L179-L205 HydrophobicContact CD2-CD1 4.04Å
180	E	97.7	Very high	95.9	Very high	81 Å²	81	42.2 Å²	42.2	38%	0.379	22%	0.217	S	C	.	.	H	α-helix	trans	-61.2	-37.8	176.8	-63.4	-51.6	150.2	0	0	112.2	Q176 S177 A182 R183 N184	Q176-E180 PolarHBondContact NE2-OE1 2.97Å; Q176-E180 PolarHBondContact O-N 3.49Å; Q176-E180 VanDerWaalsContact O-N 3.16Å; S177-E180 PolarHBondContact O-N 3.01Å; E180-A182 VanDerWaalsContact C-N 3.34Å; E180-A182 PolarHBondContact O-N 3.43Å; E180-R183 VanDerWaalsContact CD-NH1 3.35Å; E180-R183 PolarHBondContact O-N 3.3Å; E180-R183 IonicContact OE1-CZ 2.73Å; E180-R183 IonicContact OE1-NH1 2.7Å; E180-R183 PolarHBondContact OE1-NH1 3.17Å; E180-R183 IonicContact OE2-NH1 3.27Å; E180-N184 WeakPolarHBondContact O-CB 3.26Å; E180-N184 PolarHBondContact O-N 3.14Å; E180-N184 PolarHBondContact O-ND2 3.19Å
181	L	98.3	Very high	95.7	Very high	42 Å²	42	38.3 Å²	38.3	22%	0.22	20%	0.202	C	C	.	.	H	α-helix	trans	-65.1	-38.8	175.5	-63.7	174.4	0	0	0	111.8	I138 Y170 C172 S177 A178 L179 N184 H185 L186	I138-L181 HydrophobicContact CD1-CB 3.73Å; I138-L181 HydrophobicContact CG1-CB 4.22Å; I138-L181 HydrophobicContact CG2-CB 4.37Å; I138-L181 HydrophobicContact CG2-CD1 3.93Å; Y170-L181 HydrophobicContact CD1-CD1 4.27Å; Y170-L181 HydrophobicContact CG-CD1 4.09Å; C172-L181 VanDerWaalsContact SG-CD1 3.59Å; S177-L181 WeakPolarHBondContact O-CG 3.12Å; S177-L181 PolarHBondContact O-N 3.39Å; A178-L181 PolarHBondContact O-N 3.46Å; L179-L181 VanDerWaalsContact C-N 3.29Å; L179-L181 PolarHBondContact O-N 3.38Å; L181-N184 CarbonylContact O-C 3.43Å; L181-N184 PolarHBondContact O-N 3.04Å; L181-H185 PolarHBondContact O-N 3.12Å; L181-L186 HydrophobicContact CB-CD1 4.15Å; L181-L186 HydrophobicContact CD2-CD1 3.55Å; L181-L186 HydrophobicContact CG-CD1 4.43Å; L181-L186 VanDerWaalsContact O-CB 3.31Å; L181-L186 WeakPolarHBondContact O-CB 3.47Å; L181-L186 PolarHBondContact O-N 3.01Å; L181-L186 VanDerWaalsContact O-N 3.12Å
182	A	98.3	Very high	95.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67	-41.5	175.9	0	0	0	0	0	112.2	S117 I138 A178 L179 E180 N184 H185 V189 L205	S117-A182 WeakPolarHBondContact CB-O 3.46Å; I138-A182 HydrophobicContact CD1-CB 3.75Å; I138-A182 VanDerWaalsContact CD1-N 3.32Å; A178-A182 PolarHBondContact O-N 3.2Å; A178-A182 VanDerWaalsContact O-N 3.11Å; L179-A182 PolarHBondContact O-N 3.29Å; L179-A182 VanDerWaalsContact O-N 3.13Å; E180-A182 VanDerWaalsContact C-N 3.34Å; E180-A182 PolarHBondContact O-N 3.43Å; A182-N184 PolarHBondContact O-N 3.1Å; A182-H185 WeakPolarHBondContact O-CA 3.47Å; A182-H185 PolarHBondContact O-N 2.83Å; A182-V189 HydrophobicContact CB-CB 3.8Å; A182-V189 HydrophobicContact CB-CG1 3.48Å; A182-V189 VanDerWaalsContact CB-CG1 3.48Å; A182-L205 HydrophobicContact CB-CD2 3.88Å
183	R	97.9	Very high	95.4	Very high	47 Å²	47	37.7 Å²	37.7	18%	0.177	20%	0.196	C	C	.	.	H	α-helix	trans	-59.9	-34.9	173.3	-69.9	174.7	-179.3	131.8	8.5	111.6	L179 E180 H185 D199 T204 L205	L179-R183 WeakPolarHBondContact O-CG 3.22Å; L179-R183 PolarHBondContact O-N 3.47Å; E180-R183 VanDerWaalsContact CD-NH1 3.35Å; E180-R183 PolarHBondContact O-N 3.3Å; E180-R183 IonicContact OE1-CZ 2.73Å; E180-R183 IonicContact OE1-NH1 2.7Å; E180-R183 PolarHBondContact OE1-NH1 3.17Å; E180-R183 IonicContact OE2-NH1 3.27Å; R183-H185 PolarHBondContact O-CE1 3.35Å; R183-H185 VanDerWaalsContact O-CE1 3.27Å; R183-H185 PolarHBondContact O-N 3.04Å; R183-H185 PolarHBondContact O-ND1 3.27Å; R183-D199 IonicContact CZ-OD1 3.63Å; R183-D199 IonicContact CZ-OD2 3.9Å; R183-D199 IonicContact NE-OD1 3.55Å; R183-D199 PolarHBondContact NE-OD1 3.24Å; R183-D199 IonicContact NE-OD2 3.08Å; R183-D199 IonicContact NH2-OD1 3.41Å; R183-D199 PolarHBondContact NH2-OD1 3.47Å; R183-D199 IonicContact NH2-OD2 3.55Å; R183-D199 PolarHBondContact NH2-OD2 3.42Å; R183-T204 HydrophobicContact CB-CG2 4.32Å; R183-T204 HydrophobicContact CG-CG2 3.95Å; R183-L205 HydrophobicContact CG-CD1 4.23Å; R183-L205 HydrophobicContact CG-CD2 4.3Å; R183-L205 HydrophobicContact CG-CG 4.23Å
184	N	97.8	Very high	95.2	Very high	100 Å²	100	40.1 Å²	40.1	54%	0.535	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	13	172.8	-72.9	-58.2	0	0	0	114.2	E180 L181 A182 L186	E180-N184 WeakPolarHBondContact O-CB 3.26Å; E180-N184 PolarHBondContact O-N 3.14Å; E180-N184 PolarHBondContact O-ND2 3.19Å; L181-N184 CarbonylContact O-C 3.43Å; L181-N184 PolarHBondContact O-N 3.04Å; A182-N184 PolarHBondContact O-N 3.1Å; N184-L186 VanDerWaalsContact C-N 3.25Å; N184-L186 HydrophobicContact CB-CD1 4.27Å; N184-L186 HydrophobicContact CB-CG 4.14Å; N184-L186 PolarHBondContact O-N 3.3Å
185	H	97.9	Very high	95.1	Very high	81 Å²	81	41.1 Å²	41.1	38%	0.375	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	23.2	173.9	-34.7	-64.5	0	0	0	114.6	S117 R119 Y120 L181 A182 R183	S117-H185 WeakPolarHBondContact CB-ND1 3.47Å; S117-H185 WeakPolarHBondContact OG-CA 3.31Å; S117-H185 PolarHBondContact OG-ND1 3.46Å; R119-H185 VanDerWaalsContact CD-CD2 3.5Å; R119-H185 WeakPolarHBondContact CD-CD2 3.45Å; Y120-H185 WeakPolarHBondContact CD2-O 3.41Å; L181-H185 PolarHBondContact O-N 3.12Å; A182-H185 WeakPolarHBondContact O-CA 3.47Å; A182-H185 PolarHBondContact O-N 2.83Å; R183-H185 PolarHBondContact O-CE1 3.35Å; R183-H185 VanDerWaalsContact O-CE1 3.27Å; R183-H185 PolarHBondContact O-N 3.04Å; R183-H185 PolarHBondContact O-ND1 3.27Å
186	L	97.8	Very high	95.2	Very high	57 Å²	57	39.4 Å²	39.4	30%	0.298	20%	0.2	S	C	.	.	S	Bend	trans	-85.8	-12.2	-174.3	-59.9	178	0	0	0	113.6	S136 Y170 L181 N184	S136-L186 PolarHBondContact OG-O 2.79Å; Y170-L186 HydrophobicContact CD2-CB 4.29Å; Y170-L186 HydrophobicContact CE1-CD1 4.18Å; Y170-L186 HydrophobicContact CE2-CB 3.7Å; Y170-L186 HydrophobicContact CE2-CD1 4.41Å; Y170-L186 HydrophobicContact CE2-CG 4.5Å; L181-L186 HydrophobicContact CB-CD1 4.15Å; L181-L186 HydrophobicContact CD2-CD1 3.55Å; L181-L186 HydrophobicContact CG-CD1 4.43Å; L181-L186 VanDerWaalsContact O-CB 3.31Å; L181-L186 WeakPolarHBondContact O-CB 3.47Å; L181-L186 PolarHBondContact O-N 3.01Å; L181-L186 VanDerWaalsContact O-N 3.12Å; N184-L186 VanDerWaalsContact C-N 3.25Å; N184-L186 HydrophobicContact CB-CD1 4.27Å; N184-L186 HydrophobicContact CB-CG 4.14Å; N184-L186 PolarHBondContact O-N 3.3Å
187	G	97.9	Very high	95.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.201	C	C	.	.			trans	166.6	-169.1	-178.8	0	0	0	0	0	115	S136	S136-G187 CarbonylContact O-C 3.58Å; S136-G187 WeakPolarHBondContact O-CA 3.44Å
188	I	98.2	Very high	95	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	129.5	174.9	-55.6	177.8	0	0	0	108.4	A114 Y115 A116 Y120 I126 L132 H135 S136 C137 I138 W151	A114-I188 HydrophobicContact CB-CG2 3.77Å; Y115-I188 CarbonylContact O-C 3.56Å; Y115-I188 WeakPolarHBondContact O-CA 3.16Å; A116-I188 HydrophobicContact CB-CG1 4.13Å; Y120-I188 HydrophobicContact CD1-CG1 4.26Å; Y120-I188 HydrophobicContact CE1-CD1 4.09Å; Y120-I188 HydrophobicContact CE1-CG1 3.54Å; I126-I188 HydrophobicContact CD1-CD1 3.87Å; L132-I188 HydrophobicContact CD2-CD1 3.67Å; L132-I188 HydrophobicContact CD2-CG2 4.26Å; H135-I188 HydrophobicContact CB-CD1 3.61Å; H135-I188 HydrophobicContact CB-CG1 4.45Å; S136-I188 PolarHBondContact O-N 2.78Å; C137-I188 CarbonylContact C-O 3.27Å; C137-I188 WeakPolarHBondContact CA-O 3.25Å; I138-I188 PolarHBondContact N-O 3.36Å; W151-I188 HydrophobicContact CH2-CB 4.47Å; W151-I188 HydrophobicContact CH2-CG2 4Å; W151-I188 HydrophobicContact CZ3-CG2 3.84Å
189	V	97	Very high	94.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	146.4	174.1	61.1	0	0	0	0	110.5	A114 Y115 I138 A178 L179 A182 A191	A114-V189 CarbonylContact C-O 3.53Å; A114-V189 WeakPolarHBondContact CA-O 3.24Å; Y115-V189 PolarHBondContact N-O 3.24Å; Y115-V189 WeakPolarHBondContact O-CG1 3.11Å; Y115-V189 PolarHBondContact O-N 3.32Å; I138-V189 HydrophobicContact CD1-CB 4.34Å; A178-V189 HydrophobicContact CB-CG2 3.81Å; L179-V189 HydrophobicContact CD2-CG1 4.09Å; L179-V189 HydrophobicContact CD2-CG2 4.36Å; A182-V189 HydrophobicContact CB-CB 3.8Å; A182-V189 HydrophobicContact CB-CG1 3.48Å; A182-V189 VanDerWaalsContact CB-CG1 3.48Å; V189-A191 HydrophobicContact CG2-CB 4.31Å
190	F	94	Very high	94.9	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.018	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	111.8	171.9	-163.9	-141.7	0	0	0	109.2	V112 T113 M143 W151 R152 F153 W215	V112-F190 HydrophobicContact CB-CD2 4.44Å; V112-F190 HydrophobicContact CB-CE1 4.47Å; V112-F190 HydrophobicContact CB-CE2 4.15Å; V112-F190 HydrophobicContact CB-CZ 4.2Å; V112-F190 HydrophobicContact CG2-CD1 4.22Å; V112-F190 HydrophobicContact CG2-CD2 4.41Å; V112-F190 HydrophobicContact CG2-CE1 3.61Å; V112-F190 HydrophobicContact CG2-CE2 3.77Å; V112-F190 HydrophobicContact CG2-CZ 3.34Å; T113-F190 VanDerWaalsContact C-CD2 3.48Å; T113-F190 WeakPolarHBondContact O-CA 3.26Å; T113-F190 WeakPolarHBondContact O-CD2 3.5Å; M143-F190 HydrophobicContact SD-CD1 3.91Å; M143-F190 HydrophobicContact SD-CE1 4.25Å; W151-F190 HydrophobicContact CB-CE1 4.39Å; W151-F190 HydrophobicContact CD2-CB 3.9Å; W151-F190 HydrophobicContact CD2-CD1 4.1Å; W151-F190 HydrophobicContact CD2-CD2 4.3Å; W151-F190 AromaticContact CD2-CG 3.9Å; W151-F190 HydrophobicContact CD2-CG 3.9Å; W151-F190 HydrophobicContact CE3-CB 3.97Å; W151-F190 AromaticContact CE3-CD2 4Å; W151-F190 HydrophobicContact CE3-CD2 4Å; W151-F190 AromaticContact CE3-CG 4Å; W151-F190 HydrophobicContact CE3-CG 4Å; W151-F190 HydrophobicContact CG-CD1 4.11Å; W151-F190 HydrophobicContact CG-CE1 4.29Å; W151-F190 HydrophobicContact CG-CG 4.37Å; W151-F190 HydrophobicContact CH2-CB 3.63Å; W151-F190 HydrophobicContact CZ2-CB 3.53Å; W151-F190 HydrophobicContact CZ2-CG 4.43Å; W151-F190 HydrophobicContact CZ3-CB 3.83Å; W151-F190 HydrophobicContact CZ3-CD2 4.33Å; W151-F190 HydrophobicContact CZ3-CG 4.3Å; R152-F190 WeakPolarHBondContact O-CZ 3.48Å; F153-F190 HydrophobicContact CD1-CE2 4.2Å; F153-F190 HydrophobicContact CE1-CD2 4.19Å; F153-F190 AromaticContact CE1-CE2 3.45Å; F153-F190 HydrophobicContact CE1-CE2 3.45Å; F153-F190 VanDerWaalsContact CE1-CE2 3.45Å; F153-F190 HydrophobicContact CE1-CZ 4.25Å; F153-F190 HydrophobicContact CZ-CD2 4.1Å; F153-F190 AromaticContact CZ-CE2 3.63Å; F153-F190 HydrophobicContact CZ-CE2 3.63Å; F153-F190 HydrophobicContact CZ-CZ 4.34Å; F190-W215 AromaticContact CE1-CE3 3.56Å; F190-W215 HydrophobicContact CE1-CE3 3.56Å; F190-W215 HydrophobicContact CE1-CZ3 4.05Å; F190-W215 HydrophobicContact CZ-CB 4.03Å; F190-W215 AromaticContact CZ-CE3 3.86Å; F190-W215 HydrophobicContact CZ-CE3 3.86Å
191	A	93.6	Very high	94.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	159.7	-170.3	0	0	0	0	0	112.2	V112 T113 Y115 T175 L179 V189 V196	V112-A191 WeakPolarHBondContact CA-O 3.49Å; T113-A191 PolarHBondContact N-O 2.87Å; T113-A191 PolarHBondContact O-N 3.01Å; Y115-A191 HydrophobicContact CD2-CB 4.32Å; Y115-A191 WeakPolarHBondContact CE2-O 3.45Å; T175-A191 HydrophobicContact CG2-CB 3.99Å; L179-A191 HydrophobicContact CD2-CB 4Å; V189-A191 HydrophobicContact CG2-CB 4.31Å; A191-V196 HydrophobicContact CB-CG1 4.4Å
192	P	91.7	Very high	94.5	Very high	20 Å²	20	50.1 Å²	50.1	13%	0.13	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	145	167.9	-10.9	25.3	0	0	0	111.7	Y110 A111 V112 K194 S195	Y110-P192 HydrophobicContact CD2-CB 3.99Å; Y110-P192 HydrophobicContact CD2-CG 3.92Å; Y110-P192 HydrophobicContact CE2-CB 4.43Å; Y110-P192 HydrophobicContact CE2-CG 3.85Å; A111-P192 WeakPolarHBondContact O-CA 3.35Å; V112-P192 HydrophobicContact CG1-CB 4.36Å; V112-P192 HydrophobicContact CG1-CG 3.89Å; P192-K194 PolarHBondContact O-N 3.1Å; P192-K194 VanDerWaalsContact O-N 3.08Å; P192-S195 WeakPolarHBondContact O-CB 3.45Å; P192-S195 PolarHBondContact O-N 2.88Å
193	D	88.6	Confident	94.4	Very high	62 Å²	62	51.6 Å²	51.6	33%	0.332	27%	0.272	S	S	.	.	H	α-helix	trans	-49.6	-39.3	174.8	-63.9	26.8	0	0	0	112.9	Y115 S195 V196 Q197	Y115-D193 WeakPolarHBondContact OH-CA 3.48Å; Y115-D193 PolarHBondContact OH-OD1 3.26Å; D193-S195 PolarHBondContact O-N 3.43Å; D193-V196 CarbonylContact O-C 3.57Å; D193-V196 WeakPolarHBondContact O-CG2 3.27Å; D193-V196 PolarHBondContact O-N 3.08Å; D193-V196 VanDerWaalsContact O-N 3.1Å; D193-Q197 PolarHBondContact O-N 2.99Å
194	K	87	Confident	94.3	Very high	138 Å²	138	51.9 Å²	51.9	60%	0.6	28%	0.279	S	S	*	.	H	α-helix	trans	-61.3	-29.3	-179.3	-73.6	-62.7	-171.4	-178.2	0	113.1	P192 V196	P192-K194 PolarHBondContact O-N 3.1Å; P192-K194 VanDerWaalsContact O-N 3.08Å; K194-V196 VanDerWaalsContact C-N 3.35Å
195	S	90.5	Very high	94.3	Very high	45 Å²	45	47.1 Å²	47.1	32%	0.315	25%	0.253	S	S	.	.	H	α-helix	trans	-80.9	-17.8	179.5	-57.1	0	0	0	0	113	P192 D193	P192-S195 WeakPolarHBondContact O-CB 3.45Å; P192-S195 PolarHBondContact O-N 2.88Å; D193-S195 PolarHBondContact O-N 3.43Å
196	V	92.8	Very high	94.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-114.3	7.1	-178.5	-62.3	0	0	0	0	113.5	Y115 L179 A191 D193 K194 S198 D199 L200 L205	Y115-V196 HydrophobicContact CD1-CG2 4.16Å; Y115-V196 HydrophobicContact CD2-CG1 4.16Å; Y115-V196 HydrophobicContact CD2-CG2 4.07Å; Y115-V196 HydrophobicContact CE1-CG2 3.81Å; Y115-V196 HydrophobicContact CE2-CG1 4.46Å; Y115-V196 HydrophobicContact CE2-CG2 3.65Å; Y115-V196 HydrophobicContact CG-CG1 4.37Å; Y115-V196 HydrophobicContact CG-CG2 4.28Å; L179-V196 HydrophobicContact CD2-CG1 3.39Å; A191-V196 HydrophobicContact CB-CG1 4.4Å; D193-V196 CarbonylContact O-C 3.57Å; D193-V196 WeakPolarHBondContact O-CG2 3.27Å; D193-V196 PolarHBondContact O-N 3.08Å; D193-V196 VanDerWaalsContact O-N 3.1Å; K194-V196 VanDerWaalsContact C-N 3.35Å; V196-S198 VanDerWaalsContact C-N 3.26Å; V196-S198 PolarHBondContact O-N 3.33Å; V196-S198 VanDerWaalsContact O-N 3.17Å; V196-D199 WeakPolarHBondContact CA-OD2 3.48Å; V196-D199 HydrophobicContact CB-CB 4.4Å; V196-D199 WeakPolarHBondContact O-CA 3.29Å; V196-D199 WeakPolarHBondContact O-CB 3.24Å; V196-D199 PolarHBondContact O-N 3.19Å; V196-L200 HydrophobicContact CB-CG 4.47Å; V196-L200 HydrophobicContact CG2-CD1 3.82Å; V196-L200 HydrophobicContact CG2-CG 4.02Å; V196-L200 WeakPolarHBondContact O-CG 3.29Å; V196-L200 PolarHBondContact O-N 3.13Å; V196-L205 HydrophobicContact CG1-CD1 3.87Å
197	Q	91.9	Very high	94.2	Very high	98 Å²	98	45.2 Å²	45.2	46%	0.458	25%	0.251	S	S	.	.	H	α-helix	trans	-55.5	-40.6	-172.4	-174	176.9	5.8	0	0	112.9	D193 Q201	D193-Q197 PolarHBondContact O-N 2.99Å; Q197-Q201 WeakPolarHBondContact O-CG 3.24Å; Q197-Q201 PolarHBondContact O-N 2.88Å
198	S	92.5	Very high	94.1	Very high	69 Å²	69	45.5 Å²	45.5	48%	0.483	25%	0.253	S	S	.	.	H	α-helix	trans	-66.8	-40.7	174.5	47.2	0	0	0	0	112.4	V196 L200 Q201 D202	V196-S198 VanDerWaalsContact C-N 3.26Å; V196-S198 PolarHBondContact O-N 3.33Å; V196-S198 VanDerWaalsContact O-N 3.17Å; S198-L200 VanDerWaalsContact C-N 3.29Å; S198-L200 PolarHBondContact O-N 2.67Å; S198-Q201 PolarHBondContact O-N 3.18Å; S198-Q201 VanDerWaalsContact O-N 3.16Å; S198-D202 PolarHBondContact O-N 2.86Å; S198-D202 VanDerWaalsContact O-N 3.13Å
199	D	95.9	Very high	93.9	Very high	6 Å²	6	46.3 Å²	46.3	3%	0.032	26%	0.256	C	S	.	.	H	α-helix	trans	-68.1	-32.6	-179.2	-54.5	-71.8	0	0	0	111.9	R183 V196 Q201 D202 G203 T204 L205	R183-D199 IonicContact CZ-OD1 3.63Å; R183-D199 IonicContact CZ-OD2 3.9Å; R183-D199 IonicContact NE-OD1 3.55Å; R183-D199 PolarHBondContact NE-OD1 3.24Å; R183-D199 IonicContact NE-OD2 3.08Å; R183-D199 IonicContact NH2-OD1 3.41Å; R183-D199 PolarHBondContact NH2-OD1 3.47Å; R183-D199 IonicContact NH2-OD2 3.55Å; R183-D199 PolarHBondContact NH2-OD2 3.42Å; V196-D199 WeakPolarHBondContact CA-OD2 3.48Å; V196-D199 HydrophobicContact CB-CB 4.4Å; V196-D199 WeakPolarHBondContact O-CA 3.29Å; V196-D199 WeakPolarHBondContact O-CB 3.24Å; V196-D199 PolarHBondContact O-N 3.19Å; D199-Q201 VanDerWaalsContact C-N 3.34Å; D199-D202 WeakPolarHBondContact CA-OD1 3.41Å; D199-G203 CarbonylContact O-C 3.58Å; D199-G203 WeakPolarHBondContact O-CA 3.11Å; D199-G203 PolarHBondContact O-N 3.28Å; D199-T204 PolarHBondContact O-N 3.44Å; D199-L205 CarbonylContact C-O 3.5Å; D199-L205 HydrophobicContact CB-CB 3.62Å; D199-L205 HydrophobicContact CB-CD1 3.99Å; D199-L205 HydrophobicContact CB-CG 3.78Å; D199-L205 PolarHBondContact O-N 2.8Å; D199-L205 VanDerWaalsContact O-O 3.13Å
200	L	94.9	Very high	93.5	Very high	65 Å²	65	55.9 Å²	55.9	34%	0.34	30%	0.301	S	S	.	.	H	α-helix	trans	-69.1	-34.3	174.2	-69.3	173.9	0	0	0	111.7	Y115 V196 S198 P207	Y115-L200 HydrophobicContact CD1-CD2 4.15Å; Y115-L200 HydrophobicContact CE1-CD1 4.31Å; Y115-L200 HydrophobicContact CE1-CD2 3.87Å; Y115-L200 HydrophobicContact CE1-CG 4.49Å; V196-L200 HydrophobicContact CB-CG 4.47Å; V196-L200 HydrophobicContact CG2-CD1 3.82Å; V196-L200 HydrophobicContact CG2-CG 4.02Å; V196-L200 WeakPolarHBondContact O-CG 3.29Å; V196-L200 PolarHBondContact O-N 3.13Å; S198-L200 VanDerWaalsContact C-N 3.29Å; S198-L200 PolarHBondContact O-N 2.67Å; L200-P207 HydrophobicContact CD2-CG 4.16Å
201	Q	94.3	Very high	93.1	Very high	155 Å²	155	60.8 Å²	60.8	72%	0.724	32%	0.324	S	S	*	.	H	α-helix	trans	-73.1	-37.3	-179.9	-74.8	174.5	-5.3	0	0	112.5	Q197 S198 D199	Q197-Q201 WeakPolarHBondContact O-CG 3.24Å; Q197-Q201 PolarHBondContact O-N 2.88Å; S198-Q201 PolarHBondContact O-N 3.18Å; S198-Q201 VanDerWaalsContact O-N 3.16Å; D199-Q201 VanDerWaalsContact C-N 3.34Å
202	D	95.1	Very high	92.6	Very high	105 Å²	105	64.9 Å²	64.9	56%	0.561	35%	0.351	S	S	*	.	H	α-helix	trans	-95.2	-6.9	179.2	67.4	20.7	0	0	0	114	S198 D199 T204	S198-D202 PolarHBondContact O-N 2.86Å; S198-D202 VanDerWaalsContact O-N 3.13Å; D199-D202 WeakPolarHBondContact CA-OD1 3.41Å; D202-T204 VanDerWaalsContact C-N 3.31Å; D202-T204 WeakPolarHBondContact OD1-CB 3.5Å; D202-T204 PolarHBondContact OD1-N 3.26Å; D202-T204 PolarHBondContact OD1-OG1 3.09Å; D202-T204 PolarHBondContact OD2-OG1 2.83Å
203	G	94.7	Very high	92.6	Very high	32 Å²	32	64.5 Å²	64.5	33%	0.33	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	10.7	179.7	0	0	0	0	0	114.2	D199 L205	D199-G203 CarbonylContact O-C 3.58Å; D199-G203 WeakPolarHBondContact O-CA 3.11Å; D199-G203 PolarHBondContact O-N 3.28Å; G203-L205 VanDerWaalsContact C-N 3.33Å
204	T	96.8	Very high	92.7	Very high	52 Å²	52	63.8 Å²	63.8	32%	0.319	34%	0.342	S	S	.	.	S	Bend	trans	-61.9	-43	176.4	-61.3	0	0	0	0	111.1	S117 R183 D199 D202	S117-T204 WeakPolarHBondContact CA-O 3.03Å; S117-T204 WeakPolarHBondContact CB-O 3.43Å; R183-T204 HydrophobicContact CB-CG2 4.32Å; R183-T204 HydrophobicContact CG-CG2 3.95Å; D199-T204 PolarHBondContact O-N 3.44Å; D202-T204 VanDerWaalsContact C-N 3.31Å; D202-T204 WeakPolarHBondContact OD1-CB 3.5Å; D202-T204 PolarHBondContact OD1-N 3.26Å; D202-T204 PolarHBondContact OD1-OG1 3.09Å; D202-T204 PolarHBondContact OD2-OG1 2.83Å
205	L	98	Very high	92.8	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	142.7	171.2	-59.7	178	0	0	0	109	A116 L179 A182 R183 V196 D199 G203	A116-L205 WeakPolarHBondContact O-CA 3.43Å; L179-L205 HydrophobicContact CD2-CD1 4.04Å; A182-L205 HydrophobicContact CB-CD2 3.88Å; R183-L205 HydrophobicContact CG-CD1 4.23Å; R183-L205 HydrophobicContact CG-CD2 4.3Å; R183-L205 HydrophobicContact CG-CG 4.23Å; V196-L205 HydrophobicContact CG1-CD1 3.87Å; D199-L205 CarbonylContact C-O 3.5Å; D199-L205 HydrophobicContact CB-CB 3.62Å; D199-L205 HydrophobicContact CB-CD1 3.99Å; D199-L205 HydrophobicContact CB-CG 3.78Å; D199-L205 PolarHBondContact O-N 2.8Å; D199-L205 VanDerWaalsContact O-O 3.13Å; G203-L205 VanDerWaalsContact C-N 3.33Å
206	V	96.9	Very high	92.8	Very high	30 Å²	30	61.2 Å²	61.2	18%	0.182	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	153.8	178.2	-59.8	0	0	0	0	109.8	Y115 A116 L121	Y115-V206 WeakPolarHBondContact CA-O 3.39Å; A116-V206 PolarHBondContact N-O 2.9Å; A116-V206 PolarHBondContact O-N 2.9Å; L121-V206 HydrophobicContact CD1-CG2 3.42Å; L121-V206 VanDerWaalsContact CD1-CG2 3.42Å
207	P	96.2	Very high	92.6	Very high	68 Å²	68	61.4 Å²	61.4	44%	0.442	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	140	173.6	-18.9	30.9	0	0	0	110.6	Y115 L200 F209	Y115-P207 HydrophobicContact CD1-CB 4.46Å; Y115-P207 HydrophobicContact CD1-CG 4.38Å; Y115-P207 HydrophobicContact CE1-CB 4.29Å; Y115-P207 HydrophobicContact CE1-CG 4.01Å; L200-P207 HydrophobicContact CD2-CG 4.16Å; P207-F209 VanDerWaalsContact C-N 3.3Å
208	C	96.5	Very high	92.6	Very high	7 Å²	7	60 Å²	60	5%	0.047	32%	0.318	C	S	.	.	S	Bend	trans	-74.9	-22	178.7	-69	0	0	0	0	113.1	A114 Y115 I126	A114-C208 HydrophobicContact CB-CB 4.04Å; A114-C208 PolarHBondContact O-N 2.85Å; A114-C208 PolarHBondContact O-SG 3.48Å; Y115-C208 VanDerWaalsContact C-SG 3.55Å; I126-C208 HydrophobicContact CG2-CB 3.77Å; I126-C208 WeakPolarHBondContact CG2-O 3.43Å
209	F	93.7	Very high	92.7	Very high	16 Å²	16	57.6 Å²	57.6	7%	0.07	30%	0.3	C	S	.	.			trans	-122.6	145.3	-172	-46	-54.2	0	0	0	110.7	A114 I126 R128 P129 L132 F153 P207 Q211 Y213	A114-F209 HydrophobicContact CB-CD2 4.4Å; A114-F209 HydrophobicContact CB-CE2 3.61Å; A114-F209 HydrophobicContact CB-CZ 4Å; I126-F209 HydrophobicContact CD1-CE1 3.84Å; I126-F209 HydrophobicContact CD1-CZ 4.44Å; I126-F209 HydrophobicContact CG1-CE1 4.12Å; R128-F209 WeakPolarHBondContact O-CE1 3.32Å; P129-F209 HydrophobicContact CB-CE2 4.44Å; P129-F209 HydrophobicContact CB-CZ 4.12Å; P129-F209 HydrophobicContact CG-CD2 4.27Å; P129-F209 HydrophobicContact CG-CE1 4.29Å; P129-F209 HydrophobicContact CG-CE2 3.86Å; P129-F209 HydrophobicContact CG-CZ 3.88Å; L132-F209 HydrophobicContact CD1-CZ 4.08Å; L132-F209 HydrophobicContact CD2-CZ 4.13Å; L132-F209 HydrophobicContact CG-CZ 4.12Å; F153-F209 HydrophobicContact CE1-CE2 4.08Å; F153-F209 AromaticContact CZ-CE2 4Å; F153-F209 HydrophobicContact CZ-CE2 4Å; P207-F209 VanDerWaalsContact C-N 3.3Å; F209-Q211 VanDerWaalsContact C-N 3.34Å; F209-Y213 HydrophobicContact CB-CD2 3.7Å; F209-Y213 HydrophobicContact CB-CE2 4.2Å; F209-Y213 AromaticContact CD2-CD2 3.82Å; F209-Y213 HydrophobicContact CD2-CD2 3.82Å; F209-Y213 HydrophobicContact CD2-CG 4.24Å; F209-Y213 AromaticContact CG-CD2 3.84Å; F209-Y213 HydrophobicContact CG-CD2 3.84Å; F209-Y213 HydrophobicContact CG-CE2 4.47Å
210	Q	87.2	Confident	92.7	Very high	201 Å²	201	58 Å²	58	94%	0.939	30%	0.302	S	S	*	.	S	Bend	trans	-71.1	-32	176.1	-68.5	-174.5	-18.3	0	0	112.6
211	Q	86.4	Confident	92.8	Very high	108 Å²	108	55 Å²	55	51%	0.505	29%	0.286	S	S	.	.	S	Bend	trans	-97.8	149.5	177	-68.6	-179.2	-14.1	0	0	110.3	A156 F209 Y213	A156-Q211 HydrophobicContact CB-CB 4.06Å; F209-Q211 VanDerWaalsContact C-N 3.34Å; Q211-Y213 HydrophobicContact CB-CD2 4.37Å; Q211-Y213 HydrophobicContact CB-CE2 3.97Å; Q211-Y213 WeakPolarHBondContact O-CD2 3.21Å; Q211-Y213 PolarHBondContact O-N 3.4Å
212	P	83	Confident	93	Very high	86 Å²	86	47.6 Å²	47.6	56%	0.558	25%	0.252	S	S	*	.			trans	-71.9	94.4	177.3	30	-33.7	0	0	0	109.7	E214	P212-E214 HydrophobicContact CB-CG 4.33Å
213	Y	90.8	Very high	93.1	Very high	12 Å²	12	43.1 Å²	43.1	5%	0.047	23%	0.227	C	C	.	.			trans	-89.7	111.3	161.3	-68	-83.4	0	0	0	107	T113 P129 F153 F209 Q211	T113-Y213 VanDerWaalsContact CB-O 3.29Å; T113-Y213 WeakPolarHBondContact CB-O 3.31Å; T113-Y213 PolarHBondContact OG1-O 2.91Å; P129-Y213 HydrophobicContact CG-CD1 3.55Å; P129-Y213 HydrophobicContact CG-CD2 3.81Å; P129-Y213 HydrophobicContact CG-CE1 3.89Å; P129-Y213 HydrophobicContact CG-CE2 4.15Å; P129-Y213 HydrophobicContact CG-CG 3.49Å; P129-Y213 VanDerWaalsContact CG-CG 3.49Å; F153-Y213 HydrophobicContact CB-CD1 4.35Å; F153-Y213 VanDerWaalsContact CD1-O 3.29Å; F153-Y213 WeakPolarHBondContact CD1-O 3.48Å; F209-Y213 HydrophobicContact CB-CD2 3.7Å; F209-Y213 HydrophobicContact CB-CE2 4.2Å; F209-Y213 AromaticContact CD2-CD2 3.82Å; F209-Y213 HydrophobicContact CD2-CD2 3.82Å; F209-Y213 HydrophobicContact CD2-CG 4.24Å; F209-Y213 AromaticContact CG-CD2 3.84Å; F209-Y213 HydrophobicContact CG-CD2 3.84Å; F209-Y213 HydrophobicContact CG-CE2 4.47Å; Q211-Y213 HydrophobicContact CB-CD2 4.37Å; Q211-Y213 HydrophobicContact CB-CE2 3.97Å; Q211-Y213 WeakPolarHBondContact O-CD2 3.21Å; Q211-Y213 PolarHBondContact O-N 3.4Å
214	E	91.3	Very high	93.1	Very high	47 Å²	47	46.9 Å²	46.9	22%	0.22	23%	0.232	C	C	.	.			trans	-128.2	147.4	-173.8	-67.3	177.1	156.8	0	0	109.9	A111 V112 N154 P212 W216	A111-E214 HydrophobicContact CB-CB 3.97Å; A111-E214 HydrophobicContact CB-CG 4.01Å; V112-E214 WeakPolarHBondContact O-CA 3.44Å; N154-E214 VanDerWaalsContact CB-O 3.26Å; N154-E214 WeakPolarHBondContact CB-O 3.49Å; N154-E214 PolarHBondContact N-O 2.86Å; N154-E214 PolarHBondContact OD1-O 3.42Å; P212-E214 HydrophobicContact CB-CG 4.33Å; E214-W216 VanDerWaalsContact OE2-CE2 3.31Å; E214-W216 VanDerWaalsContact OE2-CZ2 3.25Å; E214-W216 WeakPolarHBondContact OE2-CZ2 3.48Å; E214-W216 PolarHBondContact OE2-NE1 3.47Å
215	W	90.1	Very high	92.9	Very high	20 Å²	20	49.2 Å²	49.2	8%	0.076	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119	162.5	-179.2	30.9	0	0	0	109.6	F78 A111 V112 M143 R152 F190 L217	F78-W215 HydrophobicContact CD1-CH2 4.32Å; F78-W215 AromaticContact CE1-CH2 3.65Å; F78-W215 HydrophobicContact CE1-CH2 3.65Å; F78-W215 AromaticContact CE1-CZ2 3.64Å; F78-W215 HydrophobicContact CE1-CZ2 3.64Å; F78-W215 AromaticContact CZ-CH2 3.85Å; F78-W215 HydrophobicContact CZ-CH2 3.85Å; F78-W215 AromaticContact CZ-CZ2 3.78Å; F78-W215 HydrophobicContact CZ-CZ2 3.78Å; A111-W215 CarbonylContact C-O 3.58Å; A111-W215 WeakPolarHBondContact CA-O 3.32Å; V112-W215 HydrophobicContact CG2-CB 3.85Å; V112-W215 HydrophobicContact CG2-CD2 4.46Å; V112-W215 HydrophobicContact CG2-CE3 3.92Å; V112-W215 HydrophobicContact CG2-CG 4.47Å; V112-W215 WeakPolarHBondContact CG2-O 3.27Å; V112-W215 PolarHBondContact N-O 3.36Å; V112-W215 PolarHBondContact O-N 2.97Å; M143-W215 HydrophobicContact SD-CZ3 4.21Å; R152-W215 HydrophobicContact CB-CD2 3.83Å; R152-W215 HydrophobicContact CB-CE3 4.3Å; R152-W215 HydrophobicContact CB-CG 3.95Å; R152-W215 HydrophobicContact CB-CZ2 4.5Å; R152-W215 HydrophobicContact CG-CZ2 4.49Å; R152-W215 VanDerWaalsContact O-CB 3.28Å; R152-W215 WeakPolarHBondContact O-CB 3.5Å; F190-W215 AromaticContact CE1-CE3 3.56Å; F190-W215 HydrophobicContact CE1-CE3 3.56Å; F190-W215 HydrophobicContact CE1-CZ3 4.05Å; F190-W215 HydrophobicContact CZ-CB 4.03Å; F190-W215 AromaticContact CZ-CE3 3.86Å; F190-W215 HydrophobicContact CZ-CE3 3.86Å; W215-L217 HydrophobicContact CD2-CD2 3.58Å; W215-L217 HydrophobicContact CD2-CG 4.15Å; W215-L217 HydrophobicContact CE3-CD1 4.23Å; W215-L217 HydrophobicContact CE3-CD2 3.82Å; W215-L217 HydrophobicContact CE3-CG 4.25Å; W215-L217 HydrophobicContact CG-CD2 4.24Å; W215-L217 HydrophobicContact CH2-CD2 3.81Å; W215-L217 HydrophobicContact CZ2-CD2 3.51Å; W215-L217 HydrophobicContact CZ3-CD1 4.42Å; W215-L217 HydrophobicContact CZ3-CD2 3.94Å
216	W	89.5	Confident	92.4	Very high	108 Å²	108	54.5 Å²	54.5	41%	0.409	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	121.3	179.5	-69.8	82.9	0	0	0	110.2	Q109 Y110 A111 E214	Q109-W216 HydrophobicContact CB-CE3 3.93Å; Q109-W216 HydrophobicContact CB-CZ3 4.49Å; Y110-W216 WeakPolarHBondContact O-CA 3.38Å; A111-W216 HydrophobicContact CB-CD2 4.15Å; A111-W216 HydrophobicContact CB-CE3 4.34Å; A111-W216 HydrophobicContact CB-CH2 4.28Å; A111-W216 HydrophobicContact CB-CZ2 4.04Å; A111-W216 HydrophobicContact CB-CZ3 4.42Å; E214-W216 VanDerWaalsContact OE2-CE2 3.31Å; E214-W216 VanDerWaalsContact OE2-CZ2 3.25Å; E214-W216 WeakPolarHBondContact OE2-CZ2 3.48Å; E214-W216 PolarHBondContact OE2-NE1 3.47Å
217	L	88.8	Confident	91.8	Very high	4 Å²	4	58.3 Å²	58.3	2%	0.021	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	140.8	-177.4	-65.1	179.2	0	0	0	110.2	F78 Q109 Y110 V112 M143 W215	F78-L217 HydrophobicContact CE2-CD2 3.81Å; F78-L217 HydrophobicContact CZ-CD2 3.45Å; F78-L217 VanDerWaalsContact CZ-CD2 3.45Å; Q109-L217 CarbonylContact C-O 3.37Å; Q109-L217 WeakPolarHBondContact CA-O 3.26Å; Y110-L217 HydrophobicContact CD1-CB 4.22Å; Y110-L217 WeakPolarHBondContact CD1-O 3.01Å; Y110-L217 HydrophobicContact CE1-CB 3.66Å; Y110-L217 HydrophobicContact CE2-CB 4.11Å; Y110-L217 HydrophobicContact CE2-CD1 3.9Å; Y110-L217 PolarHBondContact N-O 3.03Å; Y110-L217 PolarHBondContact O-N 2.87Å; Y110-L217 WeakPolarHBondContact OH-CD1 3.43Å; V112-L217 HydrophobicContact CG1-CD1 3.92Å; V112-L217 HydrophobicContact CG2-CD1 3.87Å; V112-L217 HydrophobicContact CG2-CG 4.35Å; M143-L217 HydrophobicContact CE-CD1 3.8Å; W215-L217 HydrophobicContact CD2-CD2 3.58Å; W215-L217 HydrophobicContact CD2-CG 4.15Å; W215-L217 HydrophobicContact CE3-CD1 4.23Å; W215-L217 HydrophobicContact CE3-CD2 3.82Å; W215-L217 HydrophobicContact CE3-CG 4.25Å; W215-L217 HydrophobicContact CG-CD2 4.24Å; W215-L217 HydrophobicContact CH2-CD2 3.81Å; W215-L217 HydrophobicContact CZ2-CD2 3.51Å; W215-L217 HydrophobicContact CZ3-CD1 4.42Å; W215-L217 HydrophobicContact CZ3-CD2 3.94Å
218	D	91.9	Very high	91.3	Very high	70 Å²	70	62.1 Å²	62.1	37%	0.374	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	144	173.4	-72.5	-10.1	0	0	0	110.4	Y94 F106 Q109 V220	Y94-D218 WeakPolarHBondContact CA-O 3.38Å; F106-D218 HydrophobicContact CE2-CB 4.42Å; Q109-D218 WeakPolarHBondContact CG-OD1 3.37Å; Q109-D218 PolarHBondContact NE2-OD1 3.43Å; D218-V220 HydrophobicContact CB-CG1 4.46Å
219	L	94.2	Very high	90.9	Very high	18 Å²	18	62 Å²	62	9%	0.094	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	121.6	166.2	-170.4	71.9	0	0	0	107.9	I46 I92 Y94 I107 T108 Y110	I46-L219 HydrophobicContact CD1-CD1 4.14Å; I46-L219 HydrophobicContact CD1-CD2 4.43Å; I46-L219 HydrophobicContact CG1-CD1 4.45Å; I92-L219 HydrophobicContact CG2-CD1 3.71Å; I92-L219 HydrophobicContact CG2-CD2 4.34Å; I92-L219 HydrophobicContact CG2-CG 3.95Å; Y94-L219 HydrophobicContact CD1-CD1 3.59Å; Y94-L219 HydrophobicContact CE1-CD1 3.56Å; I107-L219 WeakPolarHBondContact CA-O 3.33Å; I107-L219 VanDerWaalsContact CB-O 3.27Å; I107-L219 WeakPolarHBondContact CB-O 3.44Å; I107-L219 HydrophobicContact CD1-CD2 4.4Å; I107-L219 HydrophobicContact CD1-CG 4.26Å; I107-L219 PolarHBondContact N-O 2.97Å; T108-L219 HydrophobicContact CG2-CB 4.17Å; T108-L219 HydrophobicContact CG2-CD2 4.22Å; T108-L219 PolarHBondContact N-O 3.2Å; T108-L219 PolarHBondContact O-N 2.89Å; Y110-L219 HydrophobicContact CD1-CB 4.28Å; Y110-L219 HydrophobicContact CE1-CB 4.37Å; Y110-L219 HydrophobicContact CE1-CD1 4.49Å
220	V	96	Very high	90.9	Very high	15 Å²	15	61.6 Å²	61.6	9%	0.091	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	147.7	-175.9	-60.3	0	0	0	0	111.4	I92 S93 S105 D218 I222	I92-V220 WeakPolarHBondContact CA-O 3.3Å; S93-V220 PolarHBondContact N-O 3.49Å; S93-V220 WeakPolarHBondContact O-CG2 3.49Å; S93-V220 PolarHBondContact O-N 2.7Å; S105-V220 CarbonylContact O-C 3.59Å; S105-V220 WeakPolarHBondContact O-CA 3.46Å; D218-V220 HydrophobicContact CB-CG1 4.46Å; V220-I222 HydrophobicContact CG2-CD1 4.23Å; V220-I222 HydrophobicContact CG2-CG1 4.02Å
221	A	97.6	Very high	91.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	122.5	165	0	0	0	0	0	109	L91 I92 S105 I107 F223 L237 L241	L91-A221 CarbonylContact O-C 3.56Å; I92-A221 HydrophobicContact CD1-CB 3.7Å; S105-A221 PolarHBondContact N-O 2.92Å; S105-A221 PolarHBondContact O-N 2.68Å; I107-A221 HydrophobicContact CD1-CB 3.92Å; I107-A221 HydrophobicContact CG1-CB 4.19Å; A221-F223 HydrophobicContact CB-CD1 4.28Å; A221-F223 HydrophobicContact CB-CE1 4.27Å; A221-F223 WeakPolarHBondContact O-CD1 3.47Å; A221-F223 WeakPolarHBondContact O-CE1 3.49Å; A221-L237 HydrophobicContact CB-CD1 4.33Å; A221-L241 HydrophobicContact CB-CD2 4.12Å
222	I	97.5	Very high	91.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	131.8	179.5	-57.8	171.4	0	0	0	108.6	V82 F84 V90 L91 A95 P97 L102 V103 A104 V220	V82-I222 HydrophobicContact CG1-CD1 3.39Å; F84-I222 HydrophobicContact CD2-CB 4.37Å; F84-I222 HydrophobicContact CD2-CG2 3.64Å; F84-I222 HydrophobicContact CE2-CB 4.43Å; F84-I222 HydrophobicContact CE2-CG2 3.95Å; F84-I222 WeakPolarHBondContact CE2-O 3.35Å; V90-I222 WeakPolarHBondContact CA-O 3.18Å; L91-I222 HydrophobicContact CB-CB 4.14Å; L91-I222 HydrophobicContact CD2-CD1 4.1Å; L91-I222 HydrophobicContact CG-CD1 4.45Å; L91-I222 PolarHBondContact N-O 3.29Å; L91-I222 PolarHBondContact O-N 3.34Å; A95-I222 WeakPolarHBondContact O-CD1 3.42Å; P97-I222 HydrophobicContact CB-CD1 4.18Å; P97-I222 HydrophobicContact CB-CG2 3.87Å; P97-I222 HydrophobicContact CG-CD1 4.4Å; P97-I222 HydrophobicContact CG-CG2 4.01Å; L102-I222 HydrophobicContact CB-CG2 4.07Å; L102-I222 HydrophobicContact CD1-CG2 3.93Å; V103-I222 CarbonylContact O-C 3.57Å; V103-I222 VanDerWaalsContact O-CA 3.24Å; V103-I222 WeakPolarHBondContact O-CA 3.33Å; A104-I222 HydrophobicContact CB-CG1 4.44Å; V220-I222 HydrophobicContact CG2-CD1 4.23Å; V220-I222 HydrophobicContact CG2-CG1 4.02Å
223	F	97.3	Very high	92.2	Very high	11 Å²	11	47.7 Å²	47.7	5%	0.048	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	162.6	-178.4	52.4	-86.1	0	0	0	111.5	D89 V103 A221 L237	D89-F223 WeakPolarHBondContact O-CB 3.4Å; V103-F223 HydrophobicContact CB-CD2 4.16Å; V103-F223 HydrophobicContact CB-CE2 3.82Å; V103-F223 HydrophobicContact CB-CZ 4Å; V103-F223 HydrophobicContact CG1-CE1 4.2Å; V103-F223 HydrophobicContact CG1-CE2 3.81Å; V103-F223 HydrophobicContact CG1-CZ 3.57Å; V103-F223 HydrophobicContact CG2-CE2 4.34Å; V103-F223 PolarHBondContact N-O 3.41Å; V103-F223 PolarHBondContact O-N 2.9Å; A221-F223 HydrophobicContact CB-CD1 4.28Å; A221-F223 HydrophobicContact CB-CE1 4.27Å; A221-F223 WeakPolarHBondContact O-CD1 3.47Å; A221-F223 WeakPolarHBondContact O-CE1 3.49Å; F223-L237 HydrophobicContact CD1-CD1 4.15Å; F223-L237 HydrophobicContact CD1-CD2 3.74Å; F223-L237 HydrophobicContact CD2-CD2 3.69Å; F223-L237 HydrophobicContact CE1-CD1 4.32Å; F223-L237 HydrophobicContact CE1-CD2 3.78Å; F223-L237 HydrophobicContact CE2-CD2 3.74Å; F223-L237 HydrophobicContact CG-CD2 3.72Å; F223-L237 HydrophobicContact CZ-CD2 3.8Å
224	R	95.3	Very high	92.4	Very high	112 Å²	112	49.3 Å²	49.3	42%	0.423	21%	0.208	S	C	.	.			trans	-68.4	153.2	174.1	-61.7	177.4	-171.4	-96.9	1.5	110.4	F84 L102 R226 Q229	F84-R224 HydrophobicContact CE1-CG 4.46Å; L102-R224 HydrophobicContact CD2-CG 3.87Å; R224-R226 PolarHBondContact O-N 3.36Å; R224-Q229 HydrophobicContact CB-CG 4.12Å; R224-Q229 PolarHBondContact O-NE2 3.05Å; R224-Q229 PolarHBondContact O-OE1 3.31Å
225	K	91.9	Very high	92.6	Very high	100 Å²	100	48.9 Å²	48.9	44%	0.435	21%	0.205	S	C	.	.			trans	-53.5	140.4	177.6	-61.1	-179	-177.7	175.2	0	111.5	V103 E227 Y228	V103-K225 HydrophobicContact CG2-CG 3.9Å; K225-E227 HydrophobicContact CB-CG 4.15Å; K225-E227 PolarHBondContact O-N 3.47Å; K225-E227 VanDerWaalsContact O-N 3.08Å; K225-Y228 HydrophobicContact CB-CD2 3.86Å; K225-Y228 HydrophobicContact CB-CE2 4.13Å; K225-Y228 HydrophobicContact CD-CE2 4.19Å; K225-Y228 PolarHBondContact O-N 3.1Å
226	R	88.8	Confident	92.9	Very high	112 Å²	112	48 Å²	48	42%	0.423	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-49.9	-39.3	-176.3	-72.1	-173.9	177.2	-114.9	-1	113.3	R224 Y228 Q229 Q234 D238	R224-R226 PolarHBondContact O-N 3.36Å; R226-Y228 PolarHBondContact O-N 2.79Å; R226-Y228 VanDerWaalsContact O-N 3.1Å; R226-Q229 PolarHBondContact O-N 3.16Å; R226-Q234 PolarHBondContact O-NE2 3.12Å; R226-D238 IonicContact CZ-OD1 3.3Å; R226-D238 IonicContact CZ-OD2 3.66Å; R226-D238 IonicContact NH1-OD1 3.92Å; R226-D238 IonicContact NH1-OD2 2.9Å; R226-D238 PolarHBondContact NH1-OD2 2.94Å; R226-D238 IonicContact NH2-OD1 3.62Å; R226-D238 PolarHBondContact NH2-OD1 3.06Å; R226-D238 IonicContact NH2-OD2 3.49Å; R226-D238 PolarHBondContact NH2-OD2 3.42Å
227	E	84.6	Confident	93.2	Very high	110 Å²	110	42.9 Å²	42.9	51%	0.514	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-60.6	-19.1	178.9	62.9	-175.1	-169	0	0	114.5	K31 K225	K31-E227 WeakPolarHBondContact CE-O 3.46Å; K31-E227 PolarHBondContact NZ-O 2.93Å; K225-E227 HydrophobicContact CB-CG 4.15Å; K225-E227 PolarHBondContact O-N 3.47Å; K225-E227 VanDerWaalsContact O-N 3.08Å
228	Y	84.2	Confident	93.5	Very high	147 Å²	147	45.6 Å²	45.6	58%	0.576	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-103.7	1.7	177.1	-54.6	-54.5	0	0	0	113.4	K225 R226	K225-Y228 HydrophobicContact CB-CD2 3.86Å; K225-Y228 HydrophobicContact CB-CE2 4.13Å; K225-Y228 HydrophobicContact CD-CE2 4.19Å; K225-Y228 PolarHBondContact O-N 3.1Å; R226-Y228 PolarHBondContact O-N 2.79Å; R226-Y228 VanDerWaalsContact O-N 3.1Å
229	Q	89.1	Confident	93.7	Very high	6 Å²	6	43.9 Å²	43.9	3%	0.028	19%	0.187	C	C	.	.	S	Bend	trans	-105.8	136.8	-175.5	-68.7	-174.8	-44.9	0	0	112	R224 R226 V233 Q234	R224-Q229 HydrophobicContact CB-CG 4.12Å; R224-Q229 PolarHBondContact O-NE2 3.05Å; R224-Q229 PolarHBondContact O-OE1 3.31Å; R226-Q229 PolarHBondContact O-N 3.16Å; Q229-V233 HydrophobicContact CB-CB 4.35Å; Q229-V233 HydrophobicContact CB-CG1 4.43Å; Q229-V233 HydrophobicContact CG-CG1 4.37Å; Q229-Q234 HydrophobicContact CB-CG 4.04Å; Q229-Q234 PolarHBondContact O-NE2 3.21Å; Q229-Q234 VanDerWaalsContact O-NE2 3.13Å
230	P	92.8	Very high	93.8	Very high	6 Å²	6	43 Å²	43	4%	0.039	18%	0.182	C	C	.	.			trans	-56.2	149.2	165.9	-25.4	36.1	0	0	0	112.1	Y30 R232 V233 Q234	Y30-P230 HydrophobicContact CD1-CG 4.16Å; Y30-P230 HydrophobicContact CE1-CG 3.5Å; Y30-P230 VanDerWaalsContact CE1-CG 3.5Å; Y30-P230 HydrophobicContact CE2-CG 4.48Å; P230-R232 HydrophobicContact CB-CG 3.82Å; P230-R232 PolarHBondContact O-N 3.37Å; P230-V233 PolarHBondContact O-N 2.96Å; P230-Q234 PolarHBondContact O-N 3.44Å
231	W	93.5	Very high	93.8	Very high	88 Å²	88	43.1 Å²	43.1	33%	0.333	18%	0.182	S	C	.	.	H	α-helix	trans	-52	-40.8	177.1	179.3	89	0	0	0	112.1	K31 K34 I64 V233 Q234 Y235	K31-W231 WeakPolarHBondContact O-CB 3.39Å; K31-W231 PolarHBondContact O-N 3.17Å; K34-W231 HydrophobicContact CB-CE3 3.79Å; K34-W231 HydrophobicContact CB-CZ3 3.8Å; K34-W231 HydrophobicContact CD-CE3 4.18Å; K34-W231 HydrophobicContact CD-CH2 4.29Å; K34-W231 HydrophobicContact CD-CZ3 4.05Å; K34-W231 HydrophobicContact CG-CD2 4.03Å; K34-W231 HydrophobicContact CG-CE3 3.54Å; K34-W231 HydrophobicContact CG-CZ3 3.81Å; I64-W231 HydrophobicContact CD1-CZ3 4.39Å; W231-V233 VanDerWaalsContact C-N 3.27Å; W231-V233 PolarHBondContact O-N 2.88Å; W231-Q234 PolarHBondContact O-N 2.92Å; W231-Y235 HydrophobicContact CH2-CD1 4.12Å; W231-Y235 AromaticContact CH2-CD2 3.65Å; W231-Y235 HydrophobicContact CH2-CD2 3.65Å; W231-Y235 HydrophobicContact CH2-CE2 4.22Å; W231-Y235 AromaticContact CH2-CG 3.6Å; W231-Y235 HydrophobicContact CH2-CG 3.6Å; W231-Y235 AromaticContact CZ2-CD2 3.71Å; W231-Y235 HydrophobicContact CZ2-CD2 3.71Å; W231-Y235 HydrophobicContact CZ2-CE2 4.43Å; W231-Y235 AromaticContact CZ2-CG 3.97Å; W231-Y235 HydrophobicContact CZ2-CG 3.97Å; W231-Y235 HydrophobicContact CZ3-CD1 4.28Å; W231-Y235 HydrophobicContact CZ3-CD2 4.45Å; W231-Y235 AromaticContact CZ3-CG 3.95Å; W231-Y235 HydrophobicContact CZ3-CG 3.95Å; W231-Y235 WeakPolarHBondContact O-CB 3.4Å; W231-Y235 PolarHBondContact O-N 3.47Å
232	R	95	Very high	93.7	Very high	15 Å²	15	49 Å²	49	6%	0.057	20%	0.204	C	C	.	.	H	α-helix	trans	-54.9	-39.4	177.4	60.3	173.3	179.9	-90.7	-9.1	113.4	Y30 E33 R35 R37 V38 I64 P230 V236	Y30-R232 PolarHBondContact OH-NH2 3.31Å; Y30-R232 VanDerWaalsContact OH-NH2 3.13Å; E33-R232 IonicContact OE2-NH1 2.79Å; E33-R232 PolarHBondContact OE2-NH1 2.87Å; R35-R232 VanDerWaalsContact O-CD 3.27Å; R35-R232 WeakPolarHBondContact O-CD 3.26Å; R35-R232 PolarHBondContact O-NH1 2.71Å; R37-R232 PolarHBondContact O-NE 3.3Å; R37-R232 VanDerWaalsContact O-NE 3.08Å; V38-R232 HydrophobicContact CG2-CB 4.09Å; V38-R232 HydrophobicContact CG2-CG 3.89Å; I64-R232 HydrophobicContact CD1-CB 3.68Å; I64-R232 HydrophobicContact CG1-CB 3.89Å; P230-R232 HydrophobicContact CB-CG 3.82Å; P230-R232 PolarHBondContact O-N 3.37Å; R232-V236 WeakPolarHBondContact O-CB 3.49Å; R232-V236 VanDerWaalsContact O-CG2 3.24Å; R232-V236 WeakPolarHBondContact O-CG2 3.11Å; R232-V236 PolarHBondContact O-N 2.93Å; R232-V236 VanDerWaalsContact O-N 3.09Å
233	V	95.8	Very high	93.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-70.8	-46.2	-179.6	175.7	0	0	0	0	109.6	V38 D89 V90 Q229 P230 W231 Y235 V236 L237	V38-V233 HydrophobicContact CG1-CG2 4.38Å; V38-V233 HydrophobicContact CG2-CG2 3.99Å; D89-V233 HydrophobicContact CB-CG1 3.85Å; D89-V233 HydrophobicContact CB-CG2 3.97Å; D89-V233 WeakPolarHBondContact OD1-CG2 3.24Å; V90-V233 HydrophobicContact CG2-CG1 4.31Å; Q229-V233 HydrophobicContact CB-CB 4.35Å; Q229-V233 HydrophobicContact CB-CG1 4.43Å; Q229-V233 HydrophobicContact CG-CG1 4.37Å; P230-V233 PolarHBondContact O-N 2.96Å; W231-V233 VanDerWaalsContact C-N 3.27Å; W231-V233 PolarHBondContact O-N 2.88Å; V233-Y235 VanDerWaalsContact C-N 3.33Å; V233-Y235 PolarHBondContact O-N 3.34Å; V233-V236 PolarHBondContact O-N 3.17Å; V233-L237 VanDerWaalsContact O-CB 3.27Å; V233-L237 WeakPolarHBondContact O-CB 3.44Å; V233-L237 PolarHBondContact O-N 3.15Å
234	Q	94.4	Very high	93.5	Very high	46 Å²	46	49.8 Å²	49.8	22%	0.215	21%	0.208	C	C	.	.	H	α-helix	trans	-61.9	-43.5	178.3	-60.7	-175.9	35.4	0	0	111.4	R226 Q229 P230 W231 L237 D238	R226-Q234 PolarHBondContact O-NE2 3.12Å; Q229-Q234 HydrophobicContact CB-CG 4.04Å; Q229-Q234 PolarHBondContact O-NE2 3.21Å; Q229-Q234 VanDerWaalsContact O-NE2 3.13Å; P230-Q234 PolarHBondContact O-N 3.44Å; W231-Q234 PolarHBondContact O-N 2.92Å; Q234-L237 PolarHBondContact O-N 2.92Å; Q234-D238 VanDerWaalsContact O-CB 3.3Å; Q234-D238 WeakPolarHBondContact O-CB 3.41Å; Q234-D238 VanDerWaalsContact O-CG 3.23Å; Q234-D238 PolarHBondContact O-N 3.4Å
235	Y	95.2	Very high	93.3	Very high	39 Å²	39	50.9 Å²	50.9	15%	0.153	21%	0.212	C	C	.	.	H	α-helix	trans	-58.5	-52.3	177.3	177.7	-104.8	0	0	0	111.8	I58 K59 I64 W231 V233 L237 D238 E239	I58-Y235 HydrophobicContact CG2-CE1 4.24Å; K59-Y235 PolarHBondContact O-OH 2.82Å; I64-Y235 HydrophobicContact CD1-CD1 4.07Å; W231-Y235 HydrophobicContact CH2-CD1 4.12Å; W231-Y235 AromaticContact CH2-CD2 3.65Å; W231-Y235 HydrophobicContact CH2-CD2 3.65Å; W231-Y235 HydrophobicContact CH2-CE2 4.22Å; W231-Y235 AromaticContact CH2-CG 3.6Å; W231-Y235 HydrophobicContact CH2-CG 3.6Å; W231-Y235 AromaticContact CZ2-CD2 3.71Å; W231-Y235 HydrophobicContact CZ2-CD2 3.71Å; W231-Y235 HydrophobicContact CZ2-CE2 4.43Å; W231-Y235 AromaticContact CZ2-CG 3.97Å; W231-Y235 HydrophobicContact CZ2-CG 3.97Å; W231-Y235 HydrophobicContact CZ3-CD1 4.28Å; W231-Y235 HydrophobicContact CZ3-CD2 4.45Å; W231-Y235 AromaticContact CZ3-CG 3.95Å; W231-Y235 HydrophobicContact CZ3-CG 3.95Å; W231-Y235 WeakPolarHBondContact O-CB 3.4Å; W231-Y235 PolarHBondContact O-N 3.47Å; V233-Y235 VanDerWaalsContact C-N 3.33Å; V233-Y235 PolarHBondContact O-N 3.34Å; Y235-L237 PolarHBondContact O-N 3.45Å; Y235-D238 PolarHBondContact O-N 2.91Å; Y235-E239 HydrophobicContact CD2-CG 4.31Å; Y235-E239 HydrophobicContact CE1-CG 4.33Å; Y235-E239 HydrophobicContact CE2-CG 3.84Å; Y235-E239 WeakPolarHBondContact O-CB 3.23Å; Y235-E239 WeakPolarHBondContact O-CG 3.43Å; Y235-E239 PolarHBondContact O-N 3.48Å
236	V	96.4	Very high	93.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.7	-44.5	178.7	169.4	0	0	0	0	111.2	V38 I40 I64 L66 R232 V233 M240	V38-V236 HydrophobicContact CB-CG2 4.43Å; V38-V236 HydrophobicContact CG1-CB 4.17Å; V38-V236 HydrophobicContact CG1-CG1 4.01Å; V38-V236 HydrophobicContact CG1-CG2 4.45Å; V38-V236 HydrophobicContact CG2-CG2 4.16Å; I40-V236 HydrophobicContact CD1-CG1 3.95Å; I64-V236 HydrophobicContact CD1-CG2 4.31Å; I64-V236 HydrophobicContact CG2-CG2 4.11Å; L66-V236 HydrophobicContact CD2-CB 4.31Å; L66-V236 HydrophobicContact CD2-CG1 3.61Å; L66-V236 HydrophobicContact CD2-CG2 3.71Å; R232-V236 WeakPolarHBondContact O-CB 3.49Å; R232-V236 VanDerWaalsContact O-CG2 3.24Å; R232-V236 WeakPolarHBondContact O-CG2 3.11Å; R232-V236 PolarHBondContact O-N 2.93Å; R232-V236 VanDerWaalsContact O-N 3.09Å; V233-V236 PolarHBondContact O-N 3.17Å; V236-M240 WeakPolarHBondContact O-CB 3.31Å; V236-M240 PolarHBondContact O-N 2.89Å
237	L	96.2	Very high	93.5	Very high	1 Å²	1	47 Å²	47	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-59.4	-48.8	177.3	175.8	64.3	0	0	0	111.5	V90 A221 F223 V233 Q234 Y235 M240 L241	V90-L237 HydrophobicContact CG1-CD1 3.84Å; V90-L237 HydrophobicContact CG2-CB 4.27Å; V90-L237 HydrophobicContact CG2-CD1 4.07Å; A221-L237 HydrophobicContact CB-CD1 4.33Å; F223-L237 HydrophobicContact CD1-CD1 4.15Å; F223-L237 HydrophobicContact CD1-CD2 3.74Å; F223-L237 HydrophobicContact CD2-CD2 3.69Å; F223-L237 HydrophobicContact CE1-CD1 4.32Å; F223-L237 HydrophobicContact CE1-CD2 3.78Å; F223-L237 HydrophobicContact CE2-CD2 3.74Å; F223-L237 HydrophobicContact CG-CD2 3.72Å; F223-L237 HydrophobicContact CZ-CD2 3.8Å; V233-L237 VanDerWaalsContact O-CB 3.27Å; V233-L237 WeakPolarHBondContact O-CB 3.44Å; V233-L237 PolarHBondContact O-N 3.15Å; Q234-L237 PolarHBondContact O-N 2.92Å; Y235-L237 PolarHBondContact O-N 3.45Å; L237-M240 HydrophobicContact CD1-CE 4.15Å; L237-M240 PolarHBondContact O-N 2.9Å; L237-L241 HydrophobicContact CD1-CD1 3.74Å; L237-L241 HydrophobicContact CD1-CG 3.99Å; L237-L241 HydrophobicContact CG-CD1 4.07Å; L237-L241 WeakPolarHBondContact O-CB 3.34Å; L237-L241 VanDerWaalsContact O-CG 3.29Å; L237-L241 WeakPolarHBondContact O-CG 3.3Å; L237-L241 PolarHBondContact O-N 3.09Å
238	D	95.3	Very high	93.7	Very high	61 Å²	61	43.8 Å²	43.8	33%	0.326	19%	0.187	S	C	.	.	H	α-helix	trans	-65	-45.1	-177.4	-74.2	-20.9	0	0	0	111.2	R226 Q234 Y235 R242	R226-D238 IonicContact CZ-OD1 3.3Å; R226-D238 IonicContact CZ-OD2 3.66Å; R226-D238 IonicContact NH1-OD1 3.92Å; R226-D238 IonicContact NH1-OD2 2.9Å; R226-D238 PolarHBondContact NH1-OD2 2.94Å; R226-D238 IonicContact NH2-OD1 3.62Å; R226-D238 PolarHBondContact NH2-OD1 3.06Å; R226-D238 IonicContact NH2-OD2 3.49Å; R226-D238 PolarHBondContact NH2-OD2 3.42Å; Q234-D238 VanDerWaalsContact O-CB 3.3Å; Q234-D238 WeakPolarHBondContact O-CB 3.41Å; Q234-D238 VanDerWaalsContact O-CG 3.23Å; Q234-D238 PolarHBondContact O-N 3.4Å; Y235-D238 PolarHBondContact O-N 2.91Å; D238-R242 WeakPolarHBondContact O-CB 3.43Å; D238-R242 PolarHBondContact O-N 3.44Å
239	E	96.2	Very high	93.9	Very high	35 Å²	35	39 Å²	39	16%	0.164	18%	0.178	C	C	.	.	H	α-helix	trans	-66.9	-41.5	177.7	-73.1	-64.1	102.3	0	0	112.4	I58 Y235 R242 E243	I58-E239 HydrophobicContact CG1-CB 4.17Å; I58-E239 HydrophobicContact CG2-CB 4.02Å; I58-E239 HydrophobicContact CG2-CG 4.42Å; Y235-E239 HydrophobicContact CD2-CG 4.31Å; Y235-E239 HydrophobicContact CE1-CG 4.33Å; Y235-E239 HydrophobicContact CE2-CG 3.84Å; Y235-E239 WeakPolarHBondContact O-CB 3.23Å; Y235-E239 WeakPolarHBondContact O-CG 3.43Å; Y235-E239 PolarHBondContact O-N 3.48Å; E239-R242 PolarHBondContact O-N 2.9Å; E239-R242 IonicContact OE1-CZ 3.81Å; E239-R242 IonicContact OE1-NE 2.9Å; E239-R242 PolarHBondContact OE1-NE 2.98Å; E239-R242 IonicContact OE1-NH2 3.01Å; E239-R242 IonicContact OE2-CZ 3.16Å; E239-R242 IonicContact OE2-NE 3.69Å; E239-R242 PolarHBondContact OE2-NE 3.18Å; E239-R242 IonicContact OE2-NH2 3.21Å; E239-R242 PolarHBondContact OE2-NH2 3.19Å; E239-E243 WeakPolarHBondContact O-CB 3.43Å; E239-E243 PolarHBondContact O-N 3.49Å
240	M	96.5	Very high	93.8	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.5	-49.6	175.7	-177.8	-177.4	63.1	0	0	111.1	I40 L50 V54 I58 V90 I92 V236 L237 R242 E243 I244	I40-M240 HydrophobicContact CD1-SD 4.01Å; L50-M240 HydrophobicContact CD1-SD 4.11Å; L50-M240 HydrophobicContact CD2-CG 4.08Å; L50-M240 HydrophobicContact CD2-SD 3.94Å; V54-M240 HydrophobicContact CG1-CB 4.28Å; V54-M240 HydrophobicContact CG1-CG 3.72Å; I58-M240 HydrophobicContact CD1-CB 4.44Å; V90-M240 HydrophobicContact CG1-CE 3.86Å; I92-M240 HydrophobicContact CD1-CE 3.85Å; V236-M240 WeakPolarHBondContact O-CB 3.31Å; V236-M240 PolarHBondContact O-N 2.89Å; L237-M240 HydrophobicContact CD1-CE 4.15Å; L237-M240 PolarHBondContact O-N 2.9Å; M240-R242 PolarHBondContact O-N 3.32Å; M240-E243 PolarHBondContact O-N 3.28Å; M240-I244 HydrophobicContact CG-CD1 3.91Å; M240-I244 VanDerWaalsContact O-CG1 3.24Å; M240-I244 WeakPolarHBondContact O-CG1 3.39Å; M240-I244 PolarHBondContact O-N 3.04Å
241	L	95.8	Very high	93.1	Very high	16 Å²	16	44.1 Å²	44.1	8%	0.084	20%	0.204	C	C	.	.	H	α-helix	trans	-66.1	-37.1	179.2	-70.3	-179.2	0	0	0	112.3	I107 A221 L237 R245	I107-L241 HydrophobicContact CD1-CD2 3.89Å; I107-L241 HydrophobicContact CG1-CD2 3.85Å; A221-L241 HydrophobicContact CB-CD2 4.12Å; L237-L241 HydrophobicContact CD1-CD1 3.74Å; L237-L241 HydrophobicContact CD1-CG 3.99Å; L237-L241 HydrophobicContact CG-CD1 4.07Å; L237-L241 WeakPolarHBondContact O-CB 3.34Å; L237-L241 VanDerWaalsContact O-CG 3.29Å; L237-L241 WeakPolarHBondContact O-CG 3.3Å; L237-L241 PolarHBondContact O-N 3.09Å; L241-R245 WeakPolarHBondContact O-CB 3.45Å; L241-R245 VanDerWaalsContact O-CG 3.26Å; L241-R245 WeakPolarHBondContact O-CG 3.46Å; L241-R245 PolarHBondContact O-N 3.34Å
242	R	95.1	Very high	91.9	Very high	123 Å²	123	46.6 Å²	46.6	46%	0.464	22%	0.22	S	C	.	.	H	α-helix	trans	-59.1	-47.5	175.2	-176.6	179	69.7	71	3.4	111	D238 E239 M240 R245 H246	D238-R242 WeakPolarHBondContact O-CB 3.43Å; D238-R242 PolarHBondContact O-N 3.44Å; E239-R242 PolarHBondContact O-N 2.9Å; E239-R242 IonicContact OE1-CZ 3.81Å; E239-R242 IonicContact OE1-NE 2.9Å; E239-R242 PolarHBondContact OE1-NE 2.98Å; E239-R242 IonicContact OE1-NH2 3.01Å; E239-R242 IonicContact OE2-CZ 3.16Å; E239-R242 IonicContact OE2-NE 3.69Å; E239-R242 PolarHBondContact OE2-NE 3.18Å; E239-R242 IonicContact OE2-NH2 3.21Å; E239-R242 PolarHBondContact OE2-NH2 3.19Å; M240-R242 PolarHBondContact O-N 3.32Å; R242-R245 PolarHBondContact O-N 2.99Å; R242-H246 WeakPolarHBondContact O-CB 3.24Å; R242-H246 PolarHBondContact O-N 3.01Å
243	E	96	Very high	89.7	Confident	20 Å²	20	53.2 Å²	53.2	9%	0.093	25%	0.251	C	S	.	.	H	α-helix	trans	-68.7	-42.9	-179.7	-179.6	57.1	-148.7	0	0	112.4	V54 K57 E239 M240 R245 H246 Q247	V54-E243 HydrophobicContact CB-CG 4.38Å; V54-E243 HydrophobicContact CG1-CB 4.06Å; V54-E243 HydrophobicContact CG1-CG 4.09Å; V54-E243 HydrophobicContact CG2-CG 4.43Å; K57-E243 HydrophobicContact CB-CG 3.93Å; K57-E243 HydrophobicContact CG-CG 4.08Å; E239-E243 WeakPolarHBondContact O-CB 3.43Å; E239-E243 PolarHBondContact O-N 3.49Å; M240-E243 PolarHBondContact O-N 3.28Å; E243-R245 VanDerWaalsContact C-N 3.33Å; E243-R245 PolarHBondContact O-N 3.03Å; E243-H246 WeakPolarHBondContact O-CB 3.48Å; E243-H246 PolarHBondContact O-N 2.97Å; E243-H246 VanDerWaalsContact O-N 3.17Å; E243-Q247 WeakPolarHBondContact O-CG 3.48Å; E243-Q247 PolarHBondContact O-N 3.33Å; E243-Q247 WeakPolarHBondContact OE1-CG 3.38Å; E243-Q247 PolarHBondContact OE1-NE2 3.17Å
244	I	94.5	Very high	87.4	Confident	8 Å²	8	60.3 Å²	60.3	4%	0.041	29%	0.288	C	S	.	.	H	α-helix	trans	-57.6	-48	175	-65.9	165.4	0	0	0	110.5	Y49 L50 V54 I107 M240 H246 Q247 L248	Y49-I244 HydrophobicContact CE1-CG1 4.28Å; L50-I244 HydrophobicContact CD2-CD1 3.85Å; L50-I244 HydrophobicContact CD2-CG1 4.39Å; V54-I244 HydrophobicContact CG1-CG1 4.22Å; V54-I244 HydrophobicContact CG2-CG1 3.81Å; I107-I244 HydrophobicContact CG2-CG2 3.6Å; M240-I244 HydrophobicContact CG-CD1 3.91Å; M240-I244 VanDerWaalsContact O-CG1 3.24Å; M240-I244 WeakPolarHBondContact O-CG1 3.39Å; M240-I244 PolarHBondContact O-N 3.04Å; I244-H246 VanDerWaalsContact C-N 3.3Å; I244-H246 PolarHBondContact O-N 3.29Å; I244-Q247 PolarHBondContact O-N 3.48Å; I244-L248 HydrophobicContact CG2-CD1 3.84Å; I244-L248 HydrophobicContact CG2-CG 4.35Å; I244-L248 VanDerWaalsContact O-CG 3.29Å; I244-L248 WeakPolarHBondContact O-CG 3.5Å; I244-L248 PolarHBondContact O-N 2.86Å
245	R	92.7	Very high	84.9	Confident	135 Å²	135	66.1 Å²	66.1	51%	0.509	31%	0.308	S	S	.	.	H	α-helix	trans	-63.2	-37.1	178.5	-72.2	176.9	-176.1	-154.3	0.5	112.2	L241 R242 E243 L248 A249	L241-R245 WeakPolarHBondContact O-CB 3.45Å; L241-R245 VanDerWaalsContact O-CG 3.26Å; L241-R245 WeakPolarHBondContact O-CG 3.46Å; L241-R245 PolarHBondContact O-N 3.34Å; R242-R245 PolarHBondContact O-N 2.99Å; E243-R245 VanDerWaalsContact C-N 3.33Å; E243-R245 PolarHBondContact O-N 3.03Å; R245-L248 PolarHBondContact O-N 2.89Å; R245-A249 WeakPolarHBondContact O-CB 3.35Å; R245-A249 PolarHBondContact O-N 3.08Å
246	H	93.4	Very high	81.8	Confident	95 Å²	95	68.8 Å²	68.8	44%	0.44	33%	0.33	S	S	.	.	H	α-helix	trans	-60.8	-46.8	175.4	-175.8	62.2	0	0	0	111.7	R242 E243 I244 A249 Q250	R242-H246 WeakPolarHBondContact O-CB 3.24Å; R242-H246 PolarHBondContact O-N 3.01Å; E243-H246 WeakPolarHBondContact O-CB 3.48Å; E243-H246 PolarHBondContact O-N 2.97Å; E243-H246 VanDerWaalsContact O-N 3.17Å; I244-H246 VanDerWaalsContact C-N 3.3Å; I244-H246 PolarHBondContact O-N 3.29Å; H246-A249 PolarHBondContact O-N 3.42Å; H246-Q250 PolarHBondContact CE1-NE2 3.42Å; H246-Q250 PolarHBondContact NE2-NE2 2.95Å; H246-Q250 WeakPolarHBondContact O-CG 3.5Å; H246-Q250 PolarHBondContact O-N 3.2Å; H246-Q250 VanDerWaalsContact O-N 3.14Å
247	Q	90.8	Very high	78.8	Confident	35 Å²	35	77.3 Å²	77.3	16%	0.164	37%	0.37	C	S	.	.	H	α-helix	trans	-66.5	-39.9	178	-68.3	-179.1	27.1	0	0	112.9	Y49 H53 E243 I244 A249 Q250 S251	Y49-Q247 PolarHBondContact OH-OE1 3.29Å; H53-Q247 PolarHBondContact O-NE2 2.98Å; E243-Q247 WeakPolarHBondContact O-CG 3.48Å; E243-Q247 PolarHBondContact O-N 3.33Å; E243-Q247 WeakPolarHBondContact OE1-CG 3.38Å; E243-Q247 PolarHBondContact OE1-NE2 3.17Å; I244-Q247 PolarHBondContact O-N 3.48Å; Q247-A249 VanDerWaalsContact C-N 3.33Å; Q247-A249 PolarHBondContact O-N 2.87Å; Q247-Q250 PolarHBondContact O-N 3.08Å; Q247-S251 PolarHBondContact O-N 3.19Å
248	L	88.9	Confident	75.8	Confident	43 Å²	43	86.7 Å²	86.7	23%	0.225	41%	0.414	C	S	.	.	H	α-helix	trans	-60.5	-44	176	-71.3	168.7	0	0	0	111.2	T108 I244 R245 Q250 S251 Q252	T108-L248 HydrophobicContact CG2-CD1 3.89Å; T108-L248 HydrophobicContact CG2-CD2 4.19Å; I244-L248 HydrophobicContact CG2-CD1 3.84Å; I244-L248 HydrophobicContact CG2-CG 4.35Å; I244-L248 VanDerWaalsContact O-CG 3.29Å; I244-L248 WeakPolarHBondContact O-CG 3.5Å; I244-L248 PolarHBondContact O-N 2.86Å; R245-L248 PolarHBondContact O-N 2.89Å; L248-Q250 PolarHBondContact O-N 3.48Å; L248-S251 PolarHBondContact O-N 3.49Å; L248-S251 PolarHBondContact O-OG 3.02Å; L248-Q252 PolarHBondContact O-N 3.17Å; L248-Q252 VanDerWaalsContact O-N 3.12Å
249	A	88.4	Confident	72.9	Confident	47 Å²	47	88.5 Å²	88.5	39%	0.388	44%	0.438	S	S	.	.	H	α-helix	trans	-61.4	-42.3	176.6	0	0	0	0	0	112.4	R245 H246 Q247 S251 Q252 Q253	R245-A249 WeakPolarHBondContact O-CB 3.35Å; R245-A249 PolarHBondContact O-N 3.08Å; H246-A249 PolarHBondContact O-N 3.42Å; Q247-A249 VanDerWaalsContact C-N 3.33Å; Q247-A249 PolarHBondContact O-N 2.87Å; A249-S251 VanDerWaalsContact C-N 3.33Å; A249-S251 PolarHBondContact O-N 2.95Å; A249-Q252 PolarHBondContact O-N 3.24Å; A249-Q253 WeakPolarHBondContact O-CG 3.45Å; A249-Q253 PolarHBondContact O-N 2.91Å
250	Q	85.9	Confident	70	Confident	89 Å²	89	91.4 Å²	91.4	42%	0.416	47%	0.467	S	S	.	.	H	α-helix	trans	-63.2	-39.2	175.1	-70.3	178.3	-6.3	0	0	112.1	H246 Q247 L248 Q252 Q253 L254	H246-Q250 PolarHBondContact CE1-NE2 3.42Å; H246-Q250 PolarHBondContact NE2-NE2 2.95Å; H246-Q250 WeakPolarHBondContact O-CG 3.5Å; H246-Q250 PolarHBondContact O-N 3.2Å; H246-Q250 VanDerWaalsContact O-N 3.14Å; Q247-Q250 PolarHBondContact O-N 3.08Å; L248-Q250 PolarHBondContact O-N 3.48Å; Q250-Q252 PolarHBondContact O-N 3.31Å; Q250-Q253 PolarHBondContact O-N 3.46Å; Q250-L254 WeakPolarHBondContact O-CD1 3.39Å; Q250-L254 WeakPolarHBondContact O-CG 3.31Å; Q250-L254 PolarHBondContact O-N 3.02Å
251	S	78.7	Confident	67.1	Low	31 Å²	31	100.6 Å²	100.6	22%	0.217	51%	0.51	C	S	.	.	H	α-helix	trans	-68.4	-32.1	-179.6	76.6	0	0	0	0	113.6	Q247 L248 A249 L254	Q247-S251 PolarHBondContact O-N 3.19Å; L248-S251 PolarHBondContact O-N 3.49Å; L248-S251 PolarHBondContact O-OG 3.02Å; A249-S251 VanDerWaalsContact C-N 3.33Å; A249-S251 PolarHBondContact O-N 2.95Å; S251-L254 PolarHBondContact O-N 3.02Å
252	Q	68.6	Low	64.4	Low	139 Å²	139	104.7 Å²	104.7	65%	0.65	54%	0.54	S	S	*	.	H	α-helix	trans	-72	-36.9	175.1	-71.8	179	-2.5	0	0	111.6	L248 A249 Q250 L254 R255	L248-Q252 PolarHBondContact O-N 3.17Å; L248-Q252 VanDerWaalsContact O-N 3.12Å; A249-Q252 PolarHBondContact O-N 3.24Å; Q250-Q252 PolarHBondContact O-N 3.31Å; Q252-L254 PolarHBondContact O-N 3.25Å; Q252-R255 PolarHBondContact O-N 2.83Å
253	Q	49.6	Very low	61.6	Low	154 Å²	154	108 Å²	108	72%	0.72	56%	0.561	S	S	*	*	H	α-helix	trans	-66.4	-20.6	174.8	-71.8	177.4	-9.6	0	0	113.4	A249 Q250 P256	A249-Q253 WeakPolarHBondContact O-CG 3.45Å; A249-Q253 PolarHBondContact O-N 2.91Å; Q250-Q253 PolarHBondContact O-N 3.46Å; Q253-P256 WeakPolarHBondContact O-CD 3.37Å; Q253-P256 WeakPolarHBondContact O-CG 3.39Å
254	L	47.2	Very low	58.9	Low	149 Å²	149	118.7 Å²	118.7	78%	0.78	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-5	176	-72.6	159.7	0	0	0	113.6	Q250 S251 Q252	Q250-L254 WeakPolarHBondContact O-CD1 3.39Å; Q250-L254 WeakPolarHBondContact O-CG 3.31Å; Q250-L254 PolarHBondContact O-N 3.02Å; S251-L254 PolarHBondContact O-N 3.02Å; Q252-L254 PolarHBondContact O-N 3.25Å
255	R	42.1	Very low	57.1	Low	168 Å²	168	124.3 Å²	124.3	63%	0.634	65%	0.648	S	S	*	*			trans	-91.9	8.7	174.9	-77	-173.6	-163.9	-172.9	0.2	118	Q252 E257	Q252-R255 PolarHBondContact O-N 2.83Å; R255-E257 PolarHBondContact O-N 2.86Å; R255-E257 VanDerWaalsContact O-N 3.1Å
256	P	28.7	Very low	55.2	Low	95 Å²	95	123.7 Å²	123.7	62%	0.617	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	91.3	178.4	33.3	-28.9	0	0	0	109.6	Q253	Q253-P256 WeakPolarHBondContact O-CD 3.37Å; Q253-P256 WeakPolarHBondContact O-CG 3.39Å
257	E	34.5	Very low	53.1	Low	180 Å²	180	125.3 Å²	125.3	84%	0.841	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-171.4	-7.2	156.8	-108.2	162.2	-155.9	0	0	115.8	R255	R255-E257 PolarHBondContact O-N 2.86Å; R255-E257 VanDerWaalsContact O-N 3.1Å
258	Q	33.4	Very low	50.9	Low	198 Å²	198	130.6 Å²	130.6	93%	0.925	70%	0.697	S	S	*	*	S	Bend	trans	-103.1	6.7	-177.4	-70.9	-174.7	-35.3	0	0	116.1
259	A	35	Very low	48.5	Very low	99 Å²	99	136.1 Å²	136.1	82%	0.818	73%	0.726	S	S	*	*	S	Bend	trans	-110.6	9.2	-178.4	0	0	0	0	0	114.6
260	A	34.8	Very low	45.8	Very low	95 Å²	95	142 Å²	142	79%	0.785	75%	0.749	S	S	*	*	S	Bend	trans	-115.6	8.6	-174.7	0	0	0	0	0	115
261	E	36	Very low	43	Very low	193 Å²	193	145.8 Å²	145.8	90%	0.902	77%	0.773	S	S	*	*	S	Bend	trans	-115.7	21.4	-179	-72	-171.5	158.6	0	0	114.1
262	S	38.8	Very low	40.2	Very low	103 Å²	103	154.6 Å²	154.6	72%	0.72	82%	0.815	S	S	*	*			trans	-131.8	47.1	177.9	69.5	0	0	0	0	113.3
263	E	36.4	Very low	37.9	Very low	193 Å²	193	155.9 Å²	155.9	90%	0.902	83%	0.829	S	S	*	*			trans	-136.1	87.1	161	-75	-171.1	161.1	0	0	108.1
264	D	38	Very low	36.8	Very low	244 Å²	244	156.1 Å²	156.1	100%	1.305	84%	0.839	S	S	*	*			trans	-130.9	0	157.3	-116.7	-2.7	0	0	0	107.4

Retrieved 264 of 264 residues in 886 ms (Link to these results)

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