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Proteasome activator pa28 beta subunit family

Implicated in immunoproteasome assembly and required for efficient antigen processing. The PA28 activator complex enhances the generation of class I binding peptides by altering the cleavage pattern of the proteasome.

AlphaFold DB , UniProt , Accession A0A077YW71, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 245 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.9	Very low	73.2	Confident	221 Å²	221	97.5 Å²	97.5	100%	1.089	61%	0.609	S	S	*	*				0	105.5	0	-71.3	175.7	-178.5	0	0	108.3
2	T	51.6	Low	75	Confident	107 Å²	107	98.9 Å²	98.9	66%	0.656	60%	0.603	S	S	*	*			trans	-71.5	148.2	-169.6	47.9	0	0	0	0	111.7	G4 S5	T2-G4 PolarHBondContact O-N 3.34Å; T2-G4 VanDerWaalsContact O-N 3.1Å; T2-S5 PolarHBondContact O-N 2.89Å
3	S	58.5	Low	76.6	Confident	105 Å²	105	99 Å²	99	73%	0.734	59%	0.594	S	S	*	*	H	α-helix	trans	-51.7	-31	-179.8	48.1	0	0	0	0	114	K6 C7	S3-K6 PolarHBondContact O-N 3.06Å; S3-C7 PolarHBondContact O-N 3.45Å; S3-C7 VanDerWaalsContact O-N 3.12Å
4	G	58.9	Low	78	Confident	50 Å²	50	98.4 Å²	98.4	52%	0.515	58%	0.582	S	S	.	*	H	α-helix	trans	-63.3	-38.7	176.2	0	0	0	0	0	114.3	T2 C7 D8	T2-G4 PolarHBondContact O-N 3.34Å; T2-G4 VanDerWaalsContact O-N 3.1Å; G4-C7 PolarHBondContact O-N 3.07Å; G4-D8 PolarHBondContact O-N 3.48Å
5	S	72.5	Confident	79.2	Confident	74 Å²	74	100.5 Å²	100.5	52%	0.517	58%	0.581	S	S	.	*	H	α-helix	trans	-71.6	-32.4	176.9	170.7	0	0	0	0	112.2	T2 A9	T2-S5 PolarHBondContact O-N 2.89Å; S5-A9 PolarHBondContact O-N 3.46Å; S5-A9 VanDerWaalsContact O-N 3.16Å
6	K	68.6	Low	80.3	Confident	140 Å²	140	101.7 Å²	101.7	61%	0.609	57%	0.573	S	S	*	*	H	α-helix	trans	-68.2	-40.5	174.6	-70	-173.2	176.5	-175.2	0	112.3	S3 D8 A9 V10	S3-K6 PolarHBondContact O-N 3.06Å; K6-D8 VanDerWaalsContact C-N 3.3Å; K6-D8 PolarHBondContact O-N 3.03Å; K6-A9 PolarHBondContact O-N 3.41Å; K6-V10 WeakPolarHBondContact O-CG2 3.26Å; K6-V10 PolarHBondContact O-N 3.44Å; K6-V10 VanDerWaalsContact O-N 3.16Å
7	C	76.9	Confident	81.3	Confident	97 Å²	97	98.6 Å²	98.6	66%	0.655	55%	0.552	S	S	*	*	H	α-helix	trans	-62.5	-39.1	178.3	-167.4	0	0	0	0	111.7	S3 G4 G11	S3-C7 PolarHBondContact O-N 3.45Å; S3-C7 VanDerWaalsContact O-N 3.12Å; G4-C7 PolarHBondContact O-N 3.07Å; C7-G11 PolarHBondContact O-N 2.86Å
8	D	90.5	Very high	82.1	Confident	92 Å²	92	100.9 Å²	100.9	49%	0.492	56%	0.555	S	S	.	*	H	α-helix	trans	-65.9	-44.9	176.2	-177.1	37.6	0	0	0	112	G4 K6 V10 G11 Q12	G4-D8 PolarHBondContact O-N 3.48Å; K6-D8 VanDerWaalsContact C-N 3.3Å; K6-D8 PolarHBondContact O-N 3.03Å; D8-V10 PolarHBondContact O-N 3.48Å; D8-G11 PolarHBondContact O-N 3.05Å; D8-G11 VanDerWaalsContact O-N 3.16Å; D8-Q12 WeakPolarHBondContact O-CG 3.35Å; D8-Q12 PolarHBondContact O-N 3.2Å; D8-Q12 PolarHBondContact OD1-NE2 3.28Å; D8-Q12 PolarHBondContact OD2-NE2 3.27Å
9	A	94.6	Very high	82.9	Confident	55 Å²	55	100.2 Å²	100.2	46%	0.455	55%	0.547	S	S	.	.	H	α-helix	trans	-60.2	-42.5	178.2	0	0	0	0	0	113.2	S5 K6 Q12 M13	S5-A9 PolarHBondContact O-N 3.46Å; S5-A9 VanDerWaalsContact O-N 3.16Å; K6-A9 PolarHBondContact O-N 3.41Å; A9-Q12 PolarHBondContact O-N 2.87Å; A9-M13 WeakPolarHBondContact O-CB 3.35Å; A9-M13 PolarHBondContact O-N 3.26Å
10	V	93.5	Very high	83.6	Confident	89 Å²	89	96 Å²	96	54%	0.539	52%	0.524	S	S	.	.	H	α-helix	trans	-64.5	-41.8	176.2	175.8	0	0	0	0	110.7	K6 D8 M13 Q14	K6-V10 WeakPolarHBondContact O-CG2 3.26Å; K6-V10 PolarHBondContact O-N 3.44Å; K6-V10 VanDerWaalsContact O-N 3.16Å; D8-V10 PolarHBondContact O-N 3.48Å; V10-M13 PolarHBondContact O-N 2.84Å; V10-Q14 WeakPolarHBondContact O-CG 3.23Å; V10-Q14 PolarHBondContact O-N 3.42Å
11	G	94.4	Very high	84.3	Confident	42 Å²	42	93.7 Å²	93.7	43%	0.433	51%	0.51	S	S	.	.	H	α-helix	trans	-61.1	-44.8	176.4	0	0	0	0	0	112.7	C7 D8 Q14 K15	C7-G11 PolarHBondContact O-N 2.86Å; D8-G11 PolarHBondContact O-N 3.05Å; D8-G11 VanDerWaalsContact O-N 3.16Å; G11-Q14 PolarHBondContact O-N 2.93Å; G11-K15 PolarHBondContact O-N 2.94Å
12	Q	95.6	Very high	86.7	Confident	115 Å²	115	86 Å²	86	54%	0.537	48%	0.478	S	S	.	.	H	α-helix	trans	-63.3	-42.8	176.8	-69.6	177	28.4	0	0	112.1	D8 A9 Q14 K15 W16	D8-Q12 WeakPolarHBondContact O-CG 3.35Å; D8-Q12 PolarHBondContact O-N 3.2Å; D8-Q12 PolarHBondContact OD1-NE2 3.28Å; D8-Q12 PolarHBondContact OD2-NE2 3.27Å; A9-Q12 PolarHBondContact O-N 2.87Å; Q12-Q14 VanDerWaalsContact C-N 3.33Å; Q12-Q14 PolarHBondContact O-N 2.97Å; Q12-K15 PolarHBondContact O-N 2.87Å; Q12-W16 PolarHBondContact O-N 3.02Å
13	M	95.7	Very high	88.9	Confident	100 Å²	100	86.3 Å²	86.3	49%	0.493	47%	0.472	S	S	.	.	H	α-helix	trans	-60.7	-42.3	175.5	-177.4	-170.2	171.8	0	0	111.7	A9 V10 W16 K17	A9-M13 WeakPolarHBondContact O-CB 3.35Å; A9-M13 PolarHBondContact O-N 3.26Å; V10-M13 PolarHBondContact O-N 2.84Å; M13-W16 PolarHBondContact O-N 2.9Å; M13-K17 WeakPolarHBondContact O-CB 3.33Å; M13-K17 PolarHBondContact O-N 3.26Å
14	Q	95.7	Very high	90.8	Very high	90 Å²	90	81.3 Å²	81.3	42%	0.421	44%	0.437	S	S	.	.	H	α-helix	trans	-67.4	-35.8	178.1	-69.5	-60.5	-27.5	0	0	112.4	V10 G11 Q12 K18	V10-Q14 WeakPolarHBondContact O-CG 3.23Å; V10-Q14 PolarHBondContact O-N 3.42Å; G11-Q14 PolarHBondContact O-N 2.93Å; Q12-Q14 VanDerWaalsContact C-N 3.33Å; Q12-Q14 PolarHBondContact O-N 2.97Å; Q14-K18 WeakPolarHBondContact O-CG 3.4Å; Q14-K18 PolarHBondContact O-N 3.04Å; Q14-K18 VanDerWaalsContact O-N 3.09Å
15	K	96	Very high	92.6	Very high	131 Å²	131	81.6 Å²	81.6	57%	0.57	43%	0.425	S	S	*	.	H	α-helix	trans	-62.5	-52.5	172.9	-179.2	-178.5	169.9	-176.3	0	110.7	G11 Q12 K17 K18 E19	G11-K15 PolarHBondContact O-N 2.94Å; Q12-K15 PolarHBondContact O-N 2.87Å; K15-K17 VanDerWaalsContact C-N 3.32Å; K15-K17 PolarHBondContact O-N 2.89Å; K15-K18 WeakPolarHBondContact O-CB 3.16Å; K15-K18 PolarHBondContact O-N 3.12Å; K15-K18 VanDerWaalsContact O-N 3.1Å; K15-E19 WeakPolarHBondContact CE-OE1 3.28Å; K15-E19 IonicContact NZ-OE1 2.83Å; K15-E19 WeakPolarHBondContact O-CG 3.45Å; K15-E19 PolarHBondContact O-N 3.03Å
16	W	96.6	Very high	93.8	Very high	119 Å²	119	83.9 Å²	83.9	45%	0.451	43%	0.426	S	S	.	.	H	α-helix	trans	-57.7	-43.4	177.3	169.1	73.1	0	0	0	112.2	Q12 M13 K18 E19 L20 F133	Q12-W16 PolarHBondContact O-N 3.02Å; M13-W16 PolarHBondContact O-N 2.9Å; W16-K18 VanDerWaalsContact C-N 3.33Å; W16-K18 PolarHBondContact O-N 3.2Å; W16-E19 PolarHBondContact O-N 3.06Å; W16-L20 HydrophobicContact CH2-CD2 4.39Å; W16-L20 HydrophobicContact CZ2-CD2 4.13Å; W16-L20 WeakPolarHBondContact O-CB 3.38Å; W16-L20 PolarHBondContact O-N 3.21Å; W16-F133 HydrophobicContact CE3-CZ 4.49Å; W16-F133 HydrophobicContact CH2-CE2 4.03Å; W16-F133 AromaticContact CH2-CZ 3.74Å; W16-F133 HydrophobicContact CH2-CZ 3.74Å; W16-F133 AromaticContact CZ3-CE2 3.94Å; W16-F133 HydrophobicContact CZ3-CE2 3.94Å; W16-F133 AromaticContact CZ3-CZ 3.52Å; W16-F133 HydrophobicContact CZ3-CZ 3.52Å
17	K	97	Very high	95.2	Very high	49 Å²	49	77.6 Å²	77.6	21%	0.213	40%	0.399	C	S	.	.	H	α-helix	trans	-55.7	-47.2	174.8	-178.8	178.5	-178	179.2	0	111.3	M13 K15 M21 F133	M13-K17 WeakPolarHBondContact O-CB 3.33Å; M13-K17 PolarHBondContact O-N 3.26Å; K15-K17 VanDerWaalsContact C-N 3.32Å; K15-K17 PolarHBondContact O-N 2.89Å; K17-M21 HydrophobicContact CG-CE 4.13Å; K17-M21 HydrophobicContact CG-SD 4.3Å; K17-M21 WeakPolarHBondContact O-CB 3.47Å; K17-M21 WeakPolarHBondContact O-CG 3.48Å; K17-M21 PolarHBondContact O-N 3.16Å; K17-F133 HydrophobicContact CB-CE2 4.36Å; K17-F133 HydrophobicContact CD-CD1 4.35Å; K17-F133 HydrophobicContact CD-CD2 4.36Å; K17-F133 HydrophobicContact CD-CG 4.19Å; K17-F133 VanDerWaalsContact CE-CB 3.45Å; K17-F133 HydrophobicContact CG-CD2 3.71Å; K17-F133 HydrophobicContact CG-CE2 3.91Å; K17-F133 HydrophobicContact CG-CG 4.04Å; K17-F133 HydrophobicContact CG-CZ 4.44Å; K17-F133 PolarHBondContact NZ-O 3.39Å; K17-F133 VanDerWaalsContact NZ-O 3.14Å
18	K	96.5	Very high	96.2	Very high	141 Å²	141	73 Å²	73	61%	0.613	37%	0.368	S	S	*	.	H	α-helix	trans	-64.1	-42.2	179.3	-74.4	175.5	178.9	-177.9	0	112.5	Q14 K15 W16 M21 S22	Q14-K18 WeakPolarHBondContact O-CG 3.4Å; Q14-K18 PolarHBondContact O-N 3.04Å; Q14-K18 VanDerWaalsContact O-N 3.09Å; K15-K18 WeakPolarHBondContact O-CB 3.16Å; K15-K18 PolarHBondContact O-N 3.12Å; K15-K18 VanDerWaalsContact O-N 3.1Å; W16-K18 VanDerWaalsContact C-N 3.33Å; W16-K18 PolarHBondContact O-N 3.2Å; K18-M21 HydrophobicContact CG-CE 4.21Å; K18-M21 PolarHBondContact O-N 3.32Å; K18-S22 PolarHBondContact O-N 2.98Å
19	E	97.5	Very high	96.6	Very high	86 Å²	86	71 Å²	71	40%	0.402	36%	0.357	S	S	.	.	H	α-helix	trans	-62.1	-52.3	176.8	-71.2	168.2	170.7	0	0	110.5	K15 W16 M21 S22 E23	K15-E19 WeakPolarHBondContact CE-OE1 3.28Å; K15-E19 IonicContact NZ-OE1 2.83Å; K15-E19 WeakPolarHBondContact O-CG 3.45Å; K15-E19 PolarHBondContact O-N 3.03Å; W16-E19 PolarHBondContact O-N 3.06Å; E19-M21 VanDerWaalsContact C-N 3.3Å; E19-M21 PolarHBondContact O-N 3.33Å; E19-S22 PolarHBondContact O-N 3.42Å; E19-S22 VanDerWaalsContact O-N 3.12Å; E19-E23 WeakPolarHBondContact O-CB 3.24Å; E19-E23 WeakPolarHBondContact O-CG 3.47Å; E19-E23 PolarHBondContact O-N 3.31Å
20	L	97.4	Very high	96.7	Very high	17 Å²	17	71.9 Å²	71.9	9%	0.089	35%	0.354	C	S	.	.	H	α-helix	trans	-55.7	-45	177	-172.3	79.3	0	0	0	111.7	W16 E23 T24 K126 M129 F133	W16-L20 HydrophobicContact CH2-CD2 4.39Å; W16-L20 HydrophobicContact CZ2-CD2 4.13Å; W16-L20 WeakPolarHBondContact O-CB 3.38Å; W16-L20 PolarHBondContact O-N 3.21Å; L20-E23 PolarHBondContact O-N 3.48Å; L20-T24 VanDerWaalsContact O-CB 3.26Å; L20-T24 WeakPolarHBondContact O-CB 3.26Å; L20-T24 PolarHBondContact O-N 3.1Å; L20-T24 PolarHBondContact O-OG1 2.86Å; L20-K126 HydrophobicContact CD1-CB 4.47Å; L20-K126 HydrophobicContact CD1-CG 4.02Å; L20-M129 HydrophobicContact CD2-CB 3.68Å; L20-F133 HydrophobicContact CD2-CD2 3.94Å; L20-F133 HydrophobicContact CD2-CE2 3.47Å; L20-F133 VanDerWaalsContact CD2-CE2 3.47Å
21	M	97	Very high	96.9	Very high	47 Å²	47	70.4 Å²	70.4	23%	0.232	34%	0.343	C	S	.	.	H	α-helix	trans	-62	-44.3	178.9	-72.5	-173.4	-54.7	0	0	111.9	K17 K18 E19 E25 F133	K17-M21 HydrophobicContact CG-CE 4.13Å; K17-M21 HydrophobicContact CG-SD 4.3Å; K17-M21 WeakPolarHBondContact O-CB 3.47Å; K17-M21 WeakPolarHBondContact O-CG 3.48Å; K17-M21 PolarHBondContact O-N 3.16Å; K18-M21 HydrophobicContact CG-CE 4.21Å; K18-M21 PolarHBondContact O-N 3.32Å; E19-M21 VanDerWaalsContact C-N 3.3Å; E19-M21 PolarHBondContact O-N 3.33Å; M21-E25 PolarHBondContact O-N 3.49Å; M21-E25 VanDerWaalsContact O-N 3.17Å; M21-F133 HydrophobicContact CG-CB 4.43Å; M21-F133 HydrophobicContact CG-CD2 4.42Å; M21-F133 HydrophobicContact SD-CB 4.31Å
22	S	96.6	Very high	97.1	Very high	60 Å²	60	68.4 Å²	68.4	42%	0.42	32%	0.322	S	S	.	.	H	α-helix	trans	-69	-38.4	179.2	-178.6	0	0	0	0	112.8	K18 E19 K26	K18-S22 PolarHBondContact O-N 2.98Å; E19-S22 PolarHBondContact O-N 3.42Å; E19-S22 VanDerWaalsContact O-N 3.12Å; S22-K26 WeakPolarHBondContact O-CG 3.36Å; S22-K26 PolarHBondContact O-N 3.18Å
23	E	97.5	Very high	97.3	Very high	113 Å²	113	64.9 Å²	64.9	53%	0.528	31%	0.309	S	S	.	.	H	α-helix	trans	-69	-44.9	178.7	-72.9	173.7	-175	0	0	111.1	E19 L20 E25 K26 L27	E19-E23 WeakPolarHBondContact O-CB 3.24Å; E19-E23 WeakPolarHBondContact O-CG 3.47Å; E19-E23 PolarHBondContact O-N 3.31Å; L20-E23 PolarHBondContact O-N 3.48Å; E23-E25 PolarHBondContact O-N 2.89Å; E23-K26 PolarHBondContact O-N 3.46Å; E23-L27 WeakPolarHBondContact O-CB 3.4Å; E23-L27 PolarHBondContact O-N 3.44Å
24	T	97.8	Very high	97.4	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-67.1	-37	-177.8	-52	0	0	0	0	111.9	L20 K26 L27 V28 K126 V127 W130	L20-T24 VanDerWaalsContact O-CB 3.26Å; L20-T24 WeakPolarHBondContact O-CB 3.26Å; L20-T24 PolarHBondContact O-N 3.1Å; L20-T24 PolarHBondContact O-OG1 2.86Å; T24-K26 VanDerWaalsContact C-N 3.34Å; T24-K26 PolarHBondContact O-N 3.26Å; T24-L27 WeakPolarHBondContact O-CB 3.42Å; T24-L27 PolarHBondContact O-N 3.41Å; T24-V28 HydrophobicContact CG2-CG2 4.4Å; T24-V28 WeakPolarHBondContact O-CG2 3.42Å; T24-V28 PolarHBondContact O-N 3.36Å; T24-K126 HydrophobicContact CG2-CB 4.19Å; T24-V127 HydrophobicContact CG2-CB 4.4Å; T24-V127 HydrophobicContact CG2-CG2 3.92Å; T24-W130 HydrophobicContact CG2-CB 3.54Å; T24-W130 HydrophobicContact CG2-CD2 4.06Å; T24-W130 HydrophobicContact CG2-CE3 4.21Å; T24-W130 HydrophobicContact CG2-CG 3.82Å
25	E	97.1	Very high	97.5	Very high	56 Å²	56	64.5 Å²	64.5	26%	0.262	30%	0.299	S	S	.	.	H	α-helix	trans	-61.7	-43.6	173.8	-178.9	172.7	174.6	0	0	111.6	M21 E23 L27 V28 L29 W130 K234	M21-E25 PolarHBondContact O-N 3.49Å; M21-E25 VanDerWaalsContact O-N 3.17Å; E23-E25 PolarHBondContact O-N 2.89Å; E25-L27 VanDerWaalsContact C-N 3.33Å; E25-L27 PolarHBondContact O-N 3.38Å; E25-V28 PolarHBondContact O-N 2.98Å; E25-L29 HydrophobicContact CG-CD1 3.72Å; E25-L29 HydrophobicContact CG-CG 4.32Å; E25-L29 WeakPolarHBondContact O-CB 3.49Å; E25-L29 VanDerWaalsContact O-CG 3.26Å; E25-L29 WeakPolarHBondContact O-CG 3.42Å; E25-L29 PolarHBondContact O-N 2.98Å; E25-W130 HydrophobicContact CB-CZ2 4.12Å; E25-W130 HydrophobicContact CG-CZ2 4.36Å; E25-K234 WeakPolarHBondContact OE1-CE 3.41Å; E25-K234 IonicContact OE1-NZ 2.76Å; E25-K234 PolarHBondContact OE1-NZ 3.49Å; E25-K234 VanDerWaalsContact OE2-CE 3.31Å; E25-K234 WeakPolarHBondContact OE2-CE 3.03Å; E25-K234 IonicContact OE2-NZ 3.86Å; E25-K234 PolarHBondContact OE2-NZ 2.85Å
26	K	97.8	Very high	97.6	Very high	122 Å²	122	59.4 Å²	59.4	53%	0.53	28%	0.278	S	S	.	.	H	α-helix	trans	-64	-40.3	175.8	-69.8	172.2	-175.3	172.1	0	111.8	S22 E23 T24 N30	S22-K26 WeakPolarHBondContact O-CG 3.36Å; S22-K26 PolarHBondContact O-N 3.18Å; E23-K26 PolarHBondContact O-N 3.46Å; T24-K26 VanDerWaalsContact C-N 3.34Å; T24-K26 PolarHBondContact O-N 3.26Å; K26-N30 VanDerWaalsContact O-CB 3.29Å; K26-N30 WeakPolarHBondContact O-CB 3.34Å; K26-N30 PolarHBondContact O-N 3.14Å; K26-N30 PolarHBondContact O-ND2 2.91Å
27	L	98.2	Very high	97.7	Very high	9 Å²	9	58.9 Å²	58.9	5%	0.047	28%	0.283	C	S	.	.	I	π-helix	trans	-57.5	-53.7	177.3	169.2	62.5	0	0	0	110.8	E23 T24 E25 D31 F32 D123 K126	E23-L27 WeakPolarHBondContact O-CB 3.4Å; E23-L27 PolarHBondContact O-N 3.44Å; T24-L27 WeakPolarHBondContact O-CB 3.42Å; T24-L27 PolarHBondContact O-N 3.41Å; E25-L27 VanDerWaalsContact C-N 3.33Å; E25-L27 PolarHBondContact O-N 3.38Å; L27-D31 HydrophobicContact CD1-CB 3.77Å; L27-D31 CarbonylContact O-C 3.44Å; L27-D31 WeakPolarHBondContact O-CA 3.42Å; L27-D31 WeakPolarHBondContact O-CB 3.42Å; L27-D31 PolarHBondContact O-N 3.16Å; L27-F32 HydrophobicContact CD1-CD1 3.88Å; L27-F32 HydrophobicContact CD1-CE1 3.7Å; L27-F32 HydrophobicContact CD2-CE1 4.15Å; L27-F32 HydrophobicContact CG-CD1 4.04Å; L27-F32 HydrophobicContact CG-CE1 3.61Å; L27-F32 HydrophobicContact CG-CZ 4.47Å; L27-F32 PolarHBondContact O-N 3.35Å; L27-D123 HydrophobicContact CD2-CB 4.02Å; L27-K126 HydrophobicContact CD2-CB 4.35Å; L27-K126 HydrophobicContact CD2-CD 4.12Å
28	V	97.8	Very high	97.8	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.294	C	S	.	.	I	π-helix	trans	-68.8	-40.9	-177.3	179.7	0	0	0	0	111.8	T24 E25 F32 V127 H223 I226	T24-V28 HydrophobicContact CG2-CG2 4.4Å; T24-V28 WeakPolarHBondContact O-CG2 3.42Å; T24-V28 PolarHBondContact O-N 3.36Å; E25-V28 PolarHBondContact O-N 2.98Å; V28-F32 HydrophobicContact CB-CD2 4.44Å; V28-F32 HydrophobicContact CG1-CD2 4.13Å; V28-F32 HydrophobicContact CG1-CE2 4.36Å; V28-F32 HydrophobicContact CG2-CD2 4.42Å; V28-F32 HydrophobicContact CG2-CE2 4.01Å; V28-F32 HydrophobicContact CG2-CZ 4.16Å; V28-V127 HydrophobicContact CG2-CG2 3.48Å; V28-V127 VanDerWaalsContact CG2-CG2 3.48Å; V28-H223 PolarHBondContact O-ND1 3.34Å; V28-I226 HydrophobicContact CG1-CB 3.96Å; V28-I226 HydrophobicContact CG1-CD1 3.76Å; V28-I226 HydrophobicContact CG1-CG1 4.46Å; V28-I226 HydrophobicContact CG1-CG2 3.75Å; V28-I226 HydrophobicContact CG2-CD1 4.16Å
29	L	97.3	Very high	97.9	Very high	50 Å²	50	53.1 Å²	53.1	26%	0.262	27%	0.266	S	S	.	.	I	π-helix	trans	-78	-31.6	-175.1	-64.1	-178.9	0	0	0	113.3	E25 V227 L230	E25-L29 HydrophobicContact CG-CD1 3.72Å; E25-L29 HydrophobicContact CG-CG 4.32Å; E25-L29 WeakPolarHBondContact O-CB 3.49Å; E25-L29 VanDerWaalsContact O-CG 3.26Å; E25-L29 WeakPolarHBondContact O-CG 3.42Å; E25-L29 PolarHBondContact O-N 2.98Å; L29-V227 HydrophobicContact CD2-CG2 3.74Å; L29-L230 HydrophobicContact CD1-CD2 4.47Å; L29-L230 HydrophobicContact CD2-CD2 4.3Å
30	N	97.6	Very high	97.9	Very high	74 Å²	74	51.4 Å²	51.4	40%	0.396	26%	0.259	S	S	.	.	I	π-helix	trans	-118.2	-43.6	-172.5	-52.5	-65.2	0	0	0	113.6	K26 R34	K26-N30 VanDerWaalsContact O-CB 3.29Å; K26-N30 WeakPolarHBondContact O-CB 3.34Å; K26-N30 PolarHBondContact O-N 3.14Å; K26-N30 PolarHBondContact O-ND2 2.91Å; N30-R34 WeakPolarHBondContact O-CG 3.27Å
31	D	98.3	Very high	97.9	Very high	57 Å²	57	57.1 Å²	57.1	31%	0.305	29%	0.285	S	S	.	.	I	π-helix	trans	-83.5	-34	-171.4	-62	-26.7	0	0	0	111.9	L27 R34 R35	L27-D31 HydrophobicContact CD1-CB 3.77Å; L27-D31 CarbonylContact O-C 3.44Å; L27-D31 WeakPolarHBondContact O-CA 3.42Å; L27-D31 WeakPolarHBondContact O-CB 3.42Å; L27-D31 PolarHBondContact O-N 3.16Å; D31-R34 WeakPolarHBondContact O-CB 3.37Å; D31-R34 PolarHBondContact O-N 3.06Å; D31-R34 VanDerWaalsContact O-N 3.09Å; D31-R34 IonicContact OD1-CZ 2.85Å; D31-R34 IonicContact OD1-NH1 2.6Å; D31-R34 PolarHBondContact OD1-NH1 2.81Å; D31-R35 VanDerWaalsContact O-CG 3.24Å; D31-R35 WeakPolarHBondContact O-CG 3.35Å; D31-R35 PolarHBondContact O-N 2.87Å
32	F	98.6	Very high	97.9	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-56.3	-50	173.6	-78.4	17.1	0	0	0	112	L27 V28 R34 R35 I36 D123 V127 Y219 L222 H223	L27-F32 HydrophobicContact CD1-CD1 3.88Å; L27-F32 HydrophobicContact CD1-CE1 3.7Å; L27-F32 HydrophobicContact CD2-CE1 4.15Å; L27-F32 HydrophobicContact CG-CD1 4.04Å; L27-F32 HydrophobicContact CG-CE1 3.61Å; L27-F32 HydrophobicContact CG-CZ 4.47Å; L27-F32 PolarHBondContact O-N 3.35Å; V28-F32 HydrophobicContact CB-CD2 4.44Å; V28-F32 HydrophobicContact CG1-CD2 4.13Å; V28-F32 HydrophobicContact CG1-CE2 4.36Å; V28-F32 HydrophobicContact CG2-CD2 4.42Å; V28-F32 HydrophobicContact CG2-CE2 4.01Å; V28-F32 HydrophobicContact CG2-CZ 4.16Å; F32-R34 VanDerWaalsContact C-N 3.3Å; F32-R34 PolarHBondContact O-N 3.41Å; F32-R35 WeakPolarHBondContact O-CB 3.32Å; F32-R35 PolarHBondContact O-N 3.34Å; F32-R35 VanDerWaalsContact O-N 3.15Å; F32-I36 WeakPolarHBondContact O-CD1 3.45Å; F32-I36 VanDerWaalsContact O-CG1 3.23Å; F32-I36 WeakPolarHBondContact O-CG1 3.2Å; F32-I36 PolarHBondContact O-N 3.35Å; F32-D123 HydrophobicContact CE1-CB 4.11Å; F32-D123 HydrophobicContact CZ-CB 4.49Å; F32-V127 HydrophobicContact CE2-CG2 4.26Å; F32-V127 HydrophobicContact CZ-CG2 3.75Å; F32-Y219 HydrophobicContact CB-CD1 4.43Å; F32-Y219 AromaticContact CD1-CD1 3.6Å; F32-Y219 HydrophobicContact CD1-CD1 3.6Å; F32-Y219 AromaticContact CD1-CE1 3.8Å; F32-Y219 HydrophobicContact CD1-CE1 3.8Å; F32-Y219 AromaticContact CD2-CD1 3.96Å; F32-Y219 HydrophobicContact CD2-CD1 3.96Å; F32-Y219 AromaticContact CE1-CD1 3.67Å; F32-Y219 HydrophobicContact CE1-CD1 3.67Å; F32-Y219 AromaticContact CE1-CE1 3.56Å; F32-Y219 HydrophobicContact CE1-CE1 3.56Å; F32-Y219 HydrophobicContact CE2-CD1 4.04Å; F32-Y219 AromaticContact CG-CD1 3.74Å; F32-Y219 HydrophobicContact CG-CD1 3.74Å; F32-Y219 HydrophobicContact CG-CE1 4.4Å; F32-Y219 AromaticContact CZ-CD1 3.89Å; F32-Y219 HydrophobicContact CZ-CD1 3.89Å; F32-Y219 HydrophobicContact CZ-CE1 4.01Å; F32-L222 HydrophobicContact CD2-CB 4.42Å; F32-L222 HydrophobicContact CE2-CB 3.95Å; F32-L222 HydrophobicContact CE2-CD1 4.41Å; F32-H223 HydrophobicContact CB-CB 4.13Å; F32-H223 HydrophobicContact CD2-CB 4.21Å
33	P	98.6	Very high	98	Very high	41 Å²	41	54.2 Å²	54.2	27%	0.266	27%	0.266	S	S	.	.	H	α-helix	trans	-52.4	-42.8	171.3	-30.7	36.7	0	0	0	114.3	I36 L37 H223	P33-I36 PolarHBondContact O-N 3.09Å; P33-L37 WeakPolarHBondContact O-CG 3.36Å; P33-L37 PolarHBondContact O-N 3.22Å; P33-L37 VanDerWaalsContact O-N 3.09Å; P33-H223 WeakPolarHBondContact CG-CE1 3.36Å
34	R	98.5	Very high	98	Very high	147 Å²	147	55.5 Å²	55.5	56%	0.555	28%	0.276	S	S	*	.	H	α-helix	trans	-66.4	-41	178.5	-66	174.9	-171.8	122.2	5.7	112	N30 D31 F32 L37 C38	N30-R34 WeakPolarHBondContact O-CG 3.27Å; D31-R34 WeakPolarHBondContact O-CB 3.37Å; D31-R34 PolarHBondContact O-N 3.06Å; D31-R34 VanDerWaalsContact O-N 3.09Å; D31-R34 IonicContact OD1-CZ 2.85Å; D31-R34 IonicContact OD1-NH1 2.6Å; D31-R34 PolarHBondContact OD1-NH1 2.81Å; F32-R34 VanDerWaalsContact C-N 3.3Å; F32-R34 PolarHBondContact O-N 3.41Å; R34-L37 PolarHBondContact O-N 2.91Å; R34-C38 PolarHBondContact O-N 3.48Å
35	R	98.2	Very high	97.9	Very high	36 Å²	36	57.1 Å²	57.1	14%	0.136	29%	0.288	C	S	.	.	H	α-helix	trans	-61.7	-44.4	175.7	-69.2	162.9	177.2	-75	-9	110.9	D31 F32 L37 C38 L39 E119 D123 Y219	D31-R35 VanDerWaalsContact O-CG 3.24Å; D31-R35 WeakPolarHBondContact O-CG 3.35Å; D31-R35 PolarHBondContact O-N 2.87Å; F32-R35 WeakPolarHBondContact O-CB 3.32Å; F32-R35 PolarHBondContact O-N 3.34Å; F32-R35 VanDerWaalsContact O-N 3.15Å; R35-L37 VanDerWaalsContact C-N 3.33Å; R35-L37 PolarHBondContact O-N 3.34Å; R35-C38 PolarHBondContact O-N 2.88Å; R35-L39 WeakPolarHBondContact O-CB 3.44Å; R35-L39 WeakPolarHBondContact O-CD1 3.48Å; R35-L39 VanDerWaalsContact O-CG 3.22Å; R35-L39 WeakPolarHBondContact O-CG 3.36Å; R35-L39 PolarHBondContact O-N 3.45Å; R35-E119 VanDerWaalsContact CZ-CD 3.42Å; R35-E119 IonicContact CZ-OE1 3.6Å; R35-E119 IonicContact CZ-OE2 3.41Å; R35-E119 VanDerWaalsContact NH1-CG 3.35Å; R35-E119 IonicContact NH1-OE1 3.84Å; R35-E119 PolarHBondContact NH1-OE1 3.47Å; R35-E119 IonicContact NH1-OE2 3.53Å; R35-E119 PolarHBondContact NH1-OE2 2.89Å; R35-E119 IonicContact NH2-OE1 2.69Å; R35-E119 PolarHBondContact NH2-OE1 2.99Å; R35-E119 IonicContact NH2-OE2 2.94Å; R35-D123 IonicContact CZ-OD2 2.67Å; R35-D123 IonicContact NE-OD2 2.67Å; R35-D123 PolarHBondContact NE-OD2 2.71Å; R35-D123 IonicContact NH1-OD2 3.96Å; R35-D123 PolarHBondContact NH1-OD2 3.37Å; R35-D123 IonicContact NH2-OD1 3.88Å; R35-D123 IonicContact NH2-OD2 3.87Å; R35-D123 PolarHBondContact NH2-OD2 3.49Å; R35-Y219 HydrophobicContact CB-CD2 4.19Å; R35-Y219 HydrophobicContact CB-CE2 4.19Å; R35-Y219 HydrophobicContact CB-CG 4.45Å; R35-Y219 PolarHBondContact NH1-OH 3.29Å
36	I	98.7	Very high	97.8	Very high	24 Å²	24	59 Å²	59	12%	0.123	31%	0.307	C	S	.	.	H	α-helix	trans	-57.9	-46	176	-65.9	160.2	0	0	0	110.8	F32 P33 L39 N40 R216	F32-I36 WeakPolarHBondContact O-CD1 3.45Å; F32-I36 VanDerWaalsContact O-CG1 3.23Å; F32-I36 WeakPolarHBondContact O-CG1 3.2Å; F32-I36 PolarHBondContact O-N 3.35Å; P33-I36 PolarHBondContact O-N 3.09Å; I36-L39 PolarHBondContact O-N 3.31Å; I36-N40 PolarHBondContact O-N 3.37Å; I36-N40 PolarHBondContact O-ND2 3.36Å; I36-R216 HydrophobicContact CG2-CG 4.13Å
37	L	98.5	Very high	97.7	Very high	107 Å²	107	55.9 Å²	55.9	56%	0.56	30%	0.295	S	S	*	.	H	α-helix	trans	-62.6	-45.5	177.3	-67.3	174.9	0	0	0	112	P33 R34 R35 L39 N40 E41	P33-L37 WeakPolarHBondContact O-CG 3.36Å; P33-L37 PolarHBondContact O-N 3.22Å; P33-L37 VanDerWaalsContact O-N 3.09Å; R34-L37 PolarHBondContact O-N 2.91Å; R35-L37 VanDerWaalsContact C-N 3.33Å; R35-L37 PolarHBondContact O-N 3.34Å; L37-L39 VanDerWaalsContact C-N 3.31Å; L37-L39 PolarHBondContact O-N 2.85Å; L37-N40 WeakPolarHBondContact O-CB 3.05Å; L37-N40 PolarHBondContact O-N 3.21Å; L37-E41 WeakPolarHBondContact O-CG 3.41Å; L37-E41 PolarHBondContact O-N 3.48Å
38	C	97.9	Very high	97.6	Very high	65 Å²	65	55.4 Å²	55.4	44%	0.439	29%	0.293	S	S	.	.	H	α-helix	trans	-60.5	-40.2	176.4	-177.6	0	0	0	0	112.3	R34 R35 E41 L42	R34-C38 PolarHBondContact O-N 3.48Å; R35-C38 PolarHBondContact O-N 2.88Å; C38-E41 PolarHBondContact O-N 3.12Å; C38-L42 WeakPolarHBondContact O-CB 3.33Å; C38-L42 PolarHBondContact O-N 3.02Å
39	L	98.5	Very high	97.5	Very high	5 Å²	5	57.2 Å²	57.2	3%	0.026	31%	0.306	C	S	.	.	H	α-helix	trans	-69.1	-35.6	177.1	-67.8	163.7	0	0	0	112.2	R35 I36 L37 L42 L43 L116 V212 L215 R216 Y219	R35-L39 WeakPolarHBondContact O-CB 3.44Å; R35-L39 WeakPolarHBondContact O-CD1 3.48Å; R35-L39 VanDerWaalsContact O-CG 3.22Å; R35-L39 WeakPolarHBondContact O-CG 3.36Å; R35-L39 PolarHBondContact O-N 3.45Å; I36-L39 PolarHBondContact O-N 3.31Å; L37-L39 VanDerWaalsContact C-N 3.31Å; L37-L39 PolarHBondContact O-N 2.85Å; L39-L42 PolarHBondContact O-N 3.35Å; L39-L43 WeakPolarHBondContact O-CB 3.42Å; L39-L43 VanDerWaalsContact O-CG 3.31Å; L39-L43 WeakPolarHBondContact O-CG 3.37Å; L39-L43 PolarHBondContact O-N 3.46Å; L39-L116 HydrophobicContact CD2-CD1 4.06Å; L39-V212 HydrophobicContact CD2-CG1 3.92Å; L39-L215 HydrophobicContact CD1-CB 4.47Å; L39-L215 HydrophobicContact CD1-CD2 4.31Å; L39-L215 HydrophobicContact CD1-CG 3.95Å; L39-L215 HydrophobicContact CD2-CD2 3.99Å; L39-L215 HydrophobicContact CD2-CG 4.39Å; L39-R216 HydrophobicContact CB-CB 3.92Å; L39-R216 HydrophobicContact CB-CG 4.29Å; L39-R216 HydrophobicContact CD1-CB 4.04Å; L39-Y219 HydrophobicContact CD1-CD2 3.69Å; L39-Y219 HydrophobicContact CD1-CE2 4.04Å
40	N	98.3	Very high	97.3	Very high	49 Å²	49	58.6 Å²	58.6	26%	0.262	32%	0.318	S	S	.	.	H	α-helix	trans	-62.1	-50	171.5	-79.8	-30.8	0	0	0	111.3	I36 L37 L42 L43 D44 R216	I36-N40 PolarHBondContact O-N 3.37Å; I36-N40 PolarHBondContact O-ND2 3.36Å; L37-N40 WeakPolarHBondContact O-CB 3.05Å; L37-N40 PolarHBondContact O-N 3.21Å; N40-L42 PolarHBondContact O-N 3.11Å; N40-L43 PolarHBondContact O-N 3Å; N40-L43 VanDerWaalsContact O-N 3.1Å; N40-D44 WeakPolarHBondContact O-CB 3.48Å; N40-D44 VanDerWaalsContact O-CG 3.32Å; N40-D44 PolarHBondContact O-N 3.14Å; N40-R216 WeakPolarHBondContact OD1-CD 3.26Å; N40-R216 PolarHBondContact OD1-NH1 3.18Å
41	E	98	Very high	97.2	Very high	138 Å²	138	59.5 Å²	59.5	65%	0.645	33%	0.33	S	S	*	.	H	α-helix	trans	-56.2	-39.3	176.2	-70.6	174.2	-177.3	0	0	111.8	L37 C38 S45	L37-E41 WeakPolarHBondContact O-CG 3.41Å; L37-E41 PolarHBondContact O-N 3.48Å; C38-E41 PolarHBondContact O-N 3.12Å; E41-S45 WeakPolarHBondContact O-CB 3.43Å; E41-S45 PolarHBondContact O-N 3.11Å
42	L	97.1	Very high	97	Very high	26 Å²	26	59 Å²	59	14%	0.136	32%	0.324	C	S	.	.	H	α-helix	trans	-66	-43.6	177.4	-170.8	62.2	0	0	0	112.2	C38 L39 N40 S45 F48 I112 L116 V212	C38-L42 WeakPolarHBondContact O-CB 3.33Å; C38-L42 PolarHBondContact O-N 3.02Å; L39-L42 PolarHBondContact O-N 3.35Å; N40-L42 PolarHBondContact O-N 3.11Å; L42-S45 WeakPolarHBondContact O-CB 3.49Å; L42-S45 PolarHBondContact O-N 3.33Å; L42-S45 PolarHBondContact O-OG 2.91Å; L42-F48 HydrophobicContact CD1-CD2 3.8Å; L42-F48 HydrophobicContact CD1-CE2 3.43Å; L42-F48 VanDerWaalsContact CD1-CE2 3.43Å; L42-F48 HydrophobicContact CD1-CZ 4.31Å; L42-F48 HydrophobicContact CD2-CE2 3.94Å; L42-F48 HydrophobicContact CD2-CZ 4.03Å; L42-F48 HydrophobicContact CG-CD2 3.75Å; L42-F48 HydrophobicContact CG-CE2 3.54Å; L42-F48 HydrophobicContact CG-CZ 4.11Å; L42-F48 WeakPolarHBondContact O-CD2 3.34Å; L42-I112 HydrophobicContact CD1-CG2 4.13Å; L42-I112 HydrophobicContact CD2-CG2 4.08Å; L42-L116 HydrophobicContact CD2-CD1 3.76Å; L42-V212 HydrophobicContact CD2-CG1 4.03Å; L42-V212 HydrophobicContact CD2-CG2 4.39Å
43	L	97.4	Very high	96.8	Very high	19 Å²	19	61.5 Å²	61.5	10%	0.099	34%	0.336	C	S	.	.	H	α-helix	trans	-69	-33.6	178.3	-73.2	167.4	0	0	0	112.7	L39 N40 S45 V212	L39-L43 WeakPolarHBondContact O-CB 3.42Å; L39-L43 VanDerWaalsContact O-CG 3.31Å; L39-L43 WeakPolarHBondContact O-CG 3.37Å; L39-L43 PolarHBondContact O-N 3.46Å; N40-L43 PolarHBondContact O-N 3Å; N40-L43 VanDerWaalsContact O-N 3.1Å; L43-S45 VanDerWaalsContact C-N 3.29Å; L43-V212 HydrophobicContact CD1-CG1 4.13Å; L43-V212 HydrophobicContact CD2-CB 3.96Å; L43-V212 HydrophobicContact CD2-CG1 3.7Å; L43-V212 HydrophobicContact CG-CB 4.46Å; L43-V212 HydrophobicContact CG-CG1 3.67Å
44	D	97.1	Very high	96.3	Very high	141 Å²	141	62.4 Å²	62.4	75%	0.754	35%	0.353	S	S	*	.	H	α-helix	trans	-77.8	-17.4	175.9	-68.4	-22.3	0	0	0	112.3	N40	N40-D44 WeakPolarHBondContact O-CB 3.48Å; N40-D44 VanDerWaalsContact O-CG 3.32Å; N40-D44 PolarHBondContact O-N 3.14Å
45	S	96.7	Very high	96.1	Very high	34 Å²	34	60.7 Å²	60.7	24%	0.238	35%	0.352	C	S	.	.	S	Bend	trans	-66.6	151.5	177.3	82.1	0	0	0	0	112.2	E41 L42 L43 L47 F48 S49	E41-S45 WeakPolarHBondContact O-CB 3.43Å; E41-S45 PolarHBondContact O-N 3.11Å; L42-S45 WeakPolarHBondContact O-CB 3.49Å; L42-S45 PolarHBondContact O-N 3.33Å; L42-S45 PolarHBondContact O-OG 2.91Å; L43-S45 VanDerWaalsContact C-N 3.29Å; S45-L47 PolarHBondContact O-N 2.93Å; S45-L47 VanDerWaalsContact O-N 3.1Å; S45-L47 PolarHBondContact OG-N 3.15Å; S45-F48 CarbonylContact O-C 3.55Å; S45-F48 PolarHBondContact O-N 2.91Å; S45-S49 PolarHBondContact O-N 3.39Å
46	S	95.4	Very high	95.9	Very high	94 Å²	94	59 Å²	59	66%	0.657	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-58.6	-26.1	175.1	60.1	0	0	0	0	112.9	F48 S49 R52	S46-F48 PolarHBondContact O-N 3.47Å; S46-S49 PolarHBondContact O-N 2.81Å; S46-R52 WeakPolarHBondContact O-CD 3.47Å
47	L	94.7	Very high	95.6	Very high	57 Å²	57	59.1 Å²	59.1	30%	0.298	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-59.7	-34.5	177.6	-65.2	175.5	0	0	0	112	S45 R52 L109 I112	S45-L47 PolarHBondContact O-N 2.93Å; S45-L47 VanDerWaalsContact O-N 3.1Å; S45-L47 PolarHBondContact OG-N 3.15Å; L47-R52 PolarHBondContact O-NH1 3.06Å; L47-L109 HydrophobicContact CB-CD2 4.36Å; L47-I112 HydrophobicContact CD1-CD1 4.03Å
48	F	95.7	Very high	95.1	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-114.4	44.1	177.8	-63.8	-104.8	0	0	0	109.9	L42 S45 S46 L109 V113 I208 R209 V212	L42-F48 HydrophobicContact CD1-CD2 3.8Å; L42-F48 HydrophobicContact CD1-CE2 3.43Å; L42-F48 VanDerWaalsContact CD1-CE2 3.43Å; L42-F48 HydrophobicContact CD1-CZ 4.31Å; L42-F48 HydrophobicContact CD2-CE2 3.94Å; L42-F48 HydrophobicContact CD2-CZ 4.03Å; L42-F48 HydrophobicContact CG-CD2 3.75Å; L42-F48 HydrophobicContact CG-CE2 3.54Å; L42-F48 HydrophobicContact CG-CZ 4.11Å; L42-F48 WeakPolarHBondContact O-CD2 3.34Å; S45-F48 CarbonylContact O-C 3.55Å; S45-F48 PolarHBondContact O-N 2.91Å; S46-F48 PolarHBondContact O-N 3.47Å; F48-L109 HydrophobicContact CE2-CD2 3.98Å; F48-L109 HydrophobicContact CZ-CD2 3.99Å; F48-V113 HydrophobicContact CE1-CG2 3.94Å; F48-V113 HydrophobicContact CZ-CG2 3.73Å; F48-I208 HydrophobicContact CE1-CG2 3.74Å; F48-I208 HydrophobicContact CZ-CG2 4.49Å; F48-R209 HydrophobicContact CD1-CG 4.29Å; F48-R209 PolarHBondContact O-NH1 3.41Å; F48-R209 PolarHBondContact O-NH2 3.05Å; F48-V212 HydrophobicContact CD1-CG2 4.33Å; F48-V212 HydrophobicContact CE1-CG2 3.68Å; F48-V212 HydrophobicContact CZ-CG2 4.26Å
49	S	96.1	Very high	94.6	Very high	37 Å²	37	58.3 Å²	58.3	26%	0.259	34%	0.342	S	S	.	.			trans	-85.1	131.8	167.3	177.9	0	0	0	0	112.1	S45 S46 S51 R52 F205 R209	S45-S49 PolarHBondContact O-N 3.39Å; S46-S49 PolarHBondContact O-N 2.81Å; S49-S51 PolarHBondContact O-N 2.83Å; S49-S51 PolarHBondContact OG-OG 3.07Å; S49-R52 WeakPolarHBondContact O-CB 3.43Å; S49-R52 PolarHBondContact O-N 3.19Å; S49-R52 VanDerWaalsContact O-N 3.16Å; S49-F205 WeakPolarHBondContact O-CZ 3.28Å; S49-R209 PolarHBondContact O-NH1 3.12Å
50	P	94	Very high	94.1	Very high	80 Å²	80	58.6 Å²	58.6	52%	0.519	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-60.7	-29.5	-178.2	-20.9	28.5	0	0	0	112.6	R52 I53 R209	P50-R52 PolarHBondContact O-N 3.27Å; P50-R52 VanDerWaalsContact O-N 3.1Å; P50-I53 PolarHBondContact O-N 3.48Å; P50-R209 VanDerWaalsContact CA-NH1 3.31Å
51	S	94.8	Very high	93.4	Very high	93 Å²	93	61.7 Å²	61.7	65%	0.65	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-62	-17.9	-179.9	65.2	0	0	0	0	113.8	S49 I53	S49-S51 PolarHBondContact O-N 2.83Å; S49-S51 PolarHBondContact OG-OG 3.07Å; S51-I53 PolarHBondContact O-N 3.05Å
52	R	93.7	Very high	92.6	Very high	45 Å²	45	56 Å²	56	17%	0.17	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-75.6	-7.9	-179.1	-68.7	-173.4	64.5	-143.2	0.3	114.2	S46 L47 S49 P50 G54 E55 I56 F205	S46-R52 WeakPolarHBondContact O-CD 3.47Å; L47-R52 PolarHBondContact O-NH1 3.06Å; S49-R52 WeakPolarHBondContact O-CB 3.43Å; S49-R52 PolarHBondContact O-N 3.19Å; S49-R52 VanDerWaalsContact O-N 3.16Å; P50-R52 PolarHBondContact O-N 3.27Å; P50-R52 VanDerWaalsContact O-N 3.1Å; R52-G54 VanDerWaalsContact C-N 3.28Å; R52-G54 PolarHBondContact O-N 3.46Å; R52-E55 IonicContact NE-OE2 3.27Å; R52-E55 WeakPolarHBondContact O-CA 3.12Å; R52-E55 VanDerWaalsContact O-CB 3.31Å; R52-E55 WeakPolarHBondContact O-CB 3.23Å; R52-E55 PolarHBondContact O-N 3.03Å; R52-I56 WeakPolarHBondContact O-CG1 3.09Å; R52-I56 PolarHBondContact O-N 3.03Å; R52-F205 HydrophobicContact CB-CE1 4.3Å; R52-F205 HydrophobicContact CB-CZ 3.93Å
53	I	93.9	Very high	91.6	Very high	53 Å²	53	60.3 Å²	60.3	27%	0.272	36%	0.358	S	S	.	.	H	α-helix	trans	-48.8	-47.6	-175.5	-170.5	171.7	0	0	0	112.7	P50 S51 E55 I56 E202 F205 L206	P50-I53 PolarHBondContact O-N 3.48Å; S51-I53 PolarHBondContact O-N 3.05Å; I53-E55 PolarHBondContact O-N 3.29Å; I53-I56 PolarHBondContact O-N 3.06Å; I53-I56 VanDerWaalsContact O-N 3.08Å; I53-E202 HydrophobicContact CD1-CB 4.2Å; I53-E202 HydrophobicContact CG1-CB 3.97Å; I53-E202 HydrophobicContact CG1-CG 3.95Å; I53-F205 HydrophobicContact CB-CD1 4.16Å; I53-F205 HydrophobicContact CB-CE1 4.34Å; I53-F205 HydrophobicContact CG1-CD1 4.41Å; I53-L206 HydrophobicContact CD1-CD1 3.93Å; I53-L206 HydrophobicContact CD1-CD2 4.11Å; I53-L206 HydrophobicContact CD1-CG 4.04Å
54	G	89.3	Confident	90.2	Very high	60 Å²	60	61.3 Å²	61.3	62%	0.619	37%	0.365	S	S	*	.	H	α-helix	trans	-69.6	-13.7	178.9	0	0	0	0	0	114.8	R52	R52-G54 VanDerWaalsContact C-N 3.28Å; R52-G54 PolarHBondContact O-N 3.46Å
55	E	93.4	Very high	88.8	Confident	112 Å²	112	58.1 Å²	58.1	52%	0.523	35%	0.345	S	S	.	.	H	α-helix	trans	-90	-16.9	174.1	-56.6	171.6	-166.7	0	0	112.2	R52 I53 K105	R52-E55 IonicContact NE-OE2 3.27Å; R52-E55 WeakPolarHBondContact O-CA 3.12Å; R52-E55 VanDerWaalsContact O-CB 3.31Å; R52-E55 WeakPolarHBondContact O-CB 3.23Å; R52-E55 PolarHBondContact O-N 3.03Å; I53-E55 PolarHBondContact O-N 3.29Å; E55-K105 WeakPolarHBondContact O-CD 3.31Å; E55-K105 VanDerWaalsContact O-CE 3.23Å; E55-K105 WeakPolarHBondContact O-CE 3.4Å; E55-K105 PolarHBondContact O-NZ 3.26Å
56	I	94.7	Very high	87.1	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-73.8	-35.5	-172.7	-67.1	-59.9	0	0	0	111.8	R52 I53 E58 N103 K105 L106 L109 F205	R52-I56 WeakPolarHBondContact O-CG1 3.09Å; R52-I56 PolarHBondContact O-N 3.03Å; I53-I56 PolarHBondContact O-N 3.06Å; I53-I56 VanDerWaalsContact O-N 3.08Å; I56-E58 PolarHBondContact O-N 2.78Å; I56-N103 PolarHBondContact O-ND2 2.79Å; I56-K105 HydrophobicContact CD1-CB 4.19Å; I56-L106 HydrophobicContact CG2-CD1 3.81Å; I56-L106 HydrophobicContact CG2-CD2 3.72Å; I56-L106 HydrophobicContact CG2-CG 3.58Å; I56-L109 HydrophobicContact CD1-CD1 4.47Å; I56-F205 HydrophobicContact CB-CB 4.35Å; I56-F205 HydrophobicContact CD1-CD2 3.76Å; I56-F205 HydrophobicContact CD1-CE2 4.02Å; I56-F205 HydrophobicContact CD1-CG 4.21Å; I56-F205 HydrophobicContact CG1-CB 3.91Å; I56-F205 HydrophobicContact CG1-CD1 4Å; I56-F205 HydrophobicContact CG1-CD2 3.71Å; I56-F205 HydrophobicContact CG1-CE1 4.43Å; I56-F205 HydrophobicContact CG1-CE2 4.18Å; I56-F205 HydrophobicContact CG1-CG 3.61Å; I56-F205 HydrophobicContact CG2-CB 4.09Å
57	V	92.3	Very high	85.2	Confident	27 Å²	27	65.6 Å²	65.6	16%	0.164	37%	0.366	C	S	.	.			trans	-53.3	131.4	-177.2	177.3	0	0	0	0	110.7	K105 C198 E202	V57-K105 PolarHBondContact O-NZ 2.78Å; V57-C198 HydrophobicContact CG1-CB 3.63Å; V57-C198 WeakPolarHBondContact CG1-SG 3.48Å; V57-C198 HydrophobicContact CG2-CB 4.24Å; V57-E202 HydrophobicContact CG2-CG 3.52Å; V57-E202 WeakPolarHBondContact CG2-OE1 3.46Å
58	E	88.2	Confident	83.2	Confident	66 Å²	66	67.7 Å²	67.7	31%	0.308	38%	0.381	S	S	.	.			trans	-115.9	100	171.6	-168.1	67.5	-138.1	0	0	108.3	I56 V60 N103 K105 R177 D201	I56-E58 PolarHBondContact O-N 2.78Å; E58-V60 PolarHBondContact O-N 3.06Å; E58-N103 HydrophobicContact CB-CB 4.24Å; E58-K105 IonicContact OE2-NZ 3.87Å; E58-K105 PolarHBondContact OE2-NZ 2.88Å; E58-R177 PolarHBondContact O-NH2 3.41Å; E58-D201 PolarHBondContact N-OD2 3.23Å
59	P	86.9	Confident	81	Confident	89 Å²	89	71.6 Å²	71.6	58%	0.578	41%	0.405	S	S	*	.			trans	-58.1	131.7	-176.7	-25.2	34.4	0	0	0	112
60	V	88.4	Confident	78.8	Confident	10 Å²	10	72.4 Å²	72.4	6%	0.061	41%	0.406	C	S	.	.			trans	-100.5	120.1	176.2	177.9	0	0	0	0	109.4	E58 I62 V100 V181 I197	E58-V60 PolarHBondContact O-N 3.06Å; V60-I62 HydrophobicContact CG1-CD1 3.8Å; V60-I62 HydrophobicContact CG1-CG1 3.58Å; V60-V100 HydrophobicContact CG1-CG1 3.86Å; V60-V100 HydrophobicContact CG2-CG1 4.45Å; V60-V181 HydrophobicContact CG1-CG2 4.34Å; V60-V181 HydrophobicContact CG2-CG2 4.36Å; V60-I197 HydrophobicContact CB-CD1 4.35Å; V60-I197 HydrophobicContact CG2-CG2 3.94Å
61	T	84.1	Confident	76.5	Confident	115 Å²	115	74.8 Å²	74.8	71%	0.706	41%	0.414	S	S	*	.			trans	-111.5	125.5	171.6	-58.1	0	0	0	0	108.6
62	I	80.2	Confident	74.1	Confident	17 Å²	17	79.4 Å²	79.4	9%	0.087	42%	0.423	C	S	.	.			trans	-126.3	125.7	-176.5	-50.6	-175.3	0	0	0	108.8	V60 F95 V181 Y184 A185	V60-I62 HydrophobicContact CG1-CD1 3.8Å; V60-I62 HydrophobicContact CG1-CG1 3.58Å; I62-F95 HydrophobicContact CG2-CD1 3.19Å; I62-F95 HydrophobicContact CG2-CE1 3.12Å; I62-F95 HydrophobicContact CG2-CG 4.16Å; I62-F95 HydrophobicContact CG2-CZ 4.04Å; I62-V181 HydrophobicContact CD1-CG1 3.83Å; I62-Y184 HydrophobicContact CB-CD1 4.48Å; I62-Y184 HydrophobicContact CB-CE1 4.28Å; I62-Y184 HydrophobicContact CD1-CD1 3.55Å; I62-Y184 HydrophobicContact CD1-CE1 4.14Å; I62-Y184 HydrophobicContact CD1-CG 4.3Å; I62-Y184 HydrophobicContact CG1-CD1 3.88Å; I62-Y184 HydrophobicContact CG1-CE1 3.93Å; I62-A185 HydrophobicContact CD1-CB 4.07Å; I62-A185 HydrophobicContact CG2-CB 4.09Å
63	E	76.9	Confident	71.6	Confident	118 Å²	118	84.6 Å²	84.6	55%	0.551	45%	0.454	S	S	*	.			trans	-115.4	95	165	-69.2	-176	-177	0	0	108.2	R96	E63-R96 HydrophobicContact CB-CB 4.42Å; E63-R96 PolarHBondContact O-N 2.69Å
64	P	68.4	Low	69.3	Low	40 Å²	40	85.8 Å²	85.8	26%	0.26	46%	0.461	S	S	.	.	B	Isolated β-bridge	trans	-65.3	148.8	172.4	27.9	-31.1	0	0	0	109.8
65	F	66	Low	67.1	Low	74 Å²	74	91.8 Å²	91.8	33%	0.325	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-65	138.7	166.4	-70	-83.3	0	0	0	109.6	A94 R96	F65-A94 HydrophobicContact CD2-CB 3.68Å; F65-A94 WeakPolarHBondContact CD2-O 3.18Å; F65-A94 HydrophobicContact CE2-CB 3.66Å; F65-R96 HydrophobicContact CD1-CG 4Å; F65-R96 HydrophobicContact CE1-CG 3.64Å; F65-R96 HydrophobicContact CE2-CG 4.24Å; F65-R96 HydrophobicContact CG-CG 4.46Å; F65-R96 HydrophobicContact CZ-CB 4.35Å; F65-R96 HydrophobicContact CZ-CG 3.76Å
66	E	61.4	Low	64.6	Low	131 Å²	131	92.2 Å²	92.2	61%	0.612	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-60.9	138.4	173.1	-66.2	-179.4	-176.9	0	0	110	T68 T69	E66-T68 PolarHBondContact O-N 2.86Å; E66-T69 WeakPolarHBondContact O-CB 3.3Å; E66-T69 PolarHBondContact O-N 3.32Å; E66-T69 PolarHBondContact O-OG1 2.95Å
67	E	56.5	Low	62.2	Low	153 Å²	153	93.7 Å²	93.7	72%	0.715	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-49.8	-35.2	-179.3	-73.2	179.4	170.1	0	0	112.8	T69 L70	E67-T69 VanDerWaalsContact C-N 3.27Å; E67-T69 PolarHBondContact O-N 3.41Å; E67-L70 PolarHBondContact O-N 3Å
68	T	51.9	Low	60	Low	102 Å²	102	98 Å²	98	63%	0.626	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-66.2	-24.8	178.8	50	0	0	0	0	113.7	E66	E66-T68 PolarHBondContact O-N 2.86Å
69	T	49.8	Very low	57.8	Low	81 Å²	81	102.4 Å²	102.4	50%	0.497	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-81.8	-22.4	-176.5	-27.1	0	0	0	0	112.6	E66 E67 N71	E66-T69 WeakPolarHBondContact O-CB 3.3Å; E66-T69 PolarHBondContact O-N 3.32Å; E66-T69 PolarHBondContact O-OG1 2.95Å; E67-T69 VanDerWaalsContact C-N 3.27Å; E67-T69 PolarHBondContact O-N 3.41Å; T69-N71 VanDerWaalsContact C-N 3.32Å; T69-N71 PolarHBondContact O-N 3.44Å
70	L	49.9	Very low	55.7	Low	55 Å²	55	103 Å²	103	29%	0.288	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-79.1	-11.9	-175.8	-78	157.6	0	0	0	113.7	E67 K72 N73 L74	E67-L70 PolarHBondContact O-N 3Å; L70-K72 PolarHBondContact O-N 3.36Å; L70-N73 PolarHBondContact O-N 3.23Å; L70-L74 VanDerWaalsContact O-CD1 3.26Å; L70-L74 WeakPolarHBondContact O-CD1 3.42Å; L70-L74 WeakPolarHBondContact O-CG 3.47Å
71	N	45.3	Very low	53.7	Low	129 Å²	129	106.2 Å²	106.2	69%	0.69	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-60.8	-5.6	-176.8	-93.8	-15.8	0	0	0	116	T69	T69-N71 VanDerWaalsContact C-N 3.32Å; T69-N71 PolarHBondContact O-N 3.44Å
72	K	45.5	Very low	51.9	Low	191 Å²	191	104.3 Å²	104.3	83%	0.83	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-110.4	-18.3	-177.1	-68.6	-172.2	177.9	-179.5	0	116.1	L70	L70-K72 PolarHBondContact O-N 3.36Å
73	N	40.3	Very low	50.6	Low	153 Å²	153	113 Å²	113	82%	0.818	58%	0.578	S	S	*	*			trans	-130.8	34.2	-174.2	-64.8	-10.3	0	0	0	113.1	L70 E75	L70-N73 PolarHBondContact O-N 3.23Å; N73-E75 VanDerWaalsContact C-N 3.34Å; N73-E75 PolarHBondContact O-N 3.49Å; N73-E75 VanDerWaalsContact O-N 3.07Å
74	L	45.2	Very low	49.3	Very low	79 Å²	79	113.8 Å²	113.8	41%	0.414	59%	0.586	S	S	.	*			trans	-77.8	71.2	176.8	-81.4	147.8	0	0	0	111.7	L70 L77	L70-L74 VanDerWaalsContact O-CD1 3.26Å; L70-L74 WeakPolarHBondContact O-CD1 3.42Å; L70-L74 WeakPolarHBondContact O-CG 3.47Å; L74-L77 HydrophobicContact CD2-CD1 3.34Å; L74-L77 HydrophobicContact CD2-CD2 3.79Å; L74-L77 HydrophobicContact CD2-CG 3.41Å; L74-L77 VanDerWaalsContact CD2-CG 3.41Å
75	E	43.1	Very low	48.3	Very low	186 Å²	186	114.8 Å²	114.8	87%	0.869	60%	0.603	S	S	*	*	S	Bend	trans	-108.9	7.5	167.9	-77.6	-166	167	0	0	114.1	N73	N73-E75 VanDerWaalsContact C-N 3.34Å; N73-E75 PolarHBondContact O-N 3.49Å; N73-E75 VanDerWaalsContact O-N 3.07Å
76	T	41.3	Very low	47.1	Very low	120 Å²	120	120.2 Å²	120.2	74%	0.736	62%	0.622	S	S	*	*			trans	-149.1	62.7	171.2	-23.5	0	0	0	0	112.5
77	L	45.3	Very low	46.3	Very low	32 Å²	32	119.7 Å²	119.7	17%	0.168	62%	0.622	C	S	.	*			trans	-78.3	116.2	154.1	-71.3	171.2	0	0	0	107.2	L74 Y79 L89 F91	L74-L77 HydrophobicContact CD2-CD1 3.34Å; L74-L77 HydrophobicContact CD2-CD2 3.79Å; L74-L77 HydrophobicContact CD2-CG 3.41Å; L74-L77 VanDerWaalsContact CD2-CG 3.41Å; L77-Y79 HydrophobicContact CB-CE2 4.35Å; L77-Y79 WeakPolarHBondContact O-CD2 3.47Å; L77-Y79 PolarHBondContact O-N 3.21Å; L77-L89 HydrophobicContact CD1-CD2 3.85Å; L77-F91 HydrophobicContact CD2-CD1 4.33Å
78	D	44.8	Very low	45.8	Very low	118 Å²	118	113.9 Å²	113.9	63%	0.631	60%	0.603	S	S	*	*			trans	-78	108.9	169.5	-127.5	-0.6	0	0	0	108.2	I80	D78-I80 PolarHBondContact O-N 3.17Å
79	Y	43.3	Very low	45.6	Very low	157 Å²	157	112.8 Å²	112.8	62%	0.616	59%	0.593	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-76.9	105.5	178.8	-64.5	-85.1	0	0	0	109.3	L77 I87 L89	L77-Y79 HydrophobicContact CB-CE2 4.35Å; L77-Y79 WeakPolarHBondContact O-CD2 3.47Å; L77-Y79 PolarHBondContact O-N 3.21Å; Y79-I87 HydrophobicContact CD1-CG2 3.68Å; Y79-I87 HydrophobicContact CE1-CG2 4.17Å; Y79-L89 HydrophobicContact CE1-CD2 4.2Å
80	I	42.9	Very low	45.6	Very low	102 Å²	102	113.1 Å²	113.1	52%	0.523	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.4	107.7	166	-60.2	174.6	0	0	0	107.8	D78 N82	D78-I80 PolarHBondContact O-N 3.17Å; I80-N82 PolarHBondContact O-N 2.91Å
81	A	45.8	Very low	45.8	Very low	77 Å²	77	114.2 Å²	114.2	64%	0.636	59%	0.594	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-67.6	123	167.4	0	0	0	0	0	108.7
82	N	46	Very low	46.3	Very low	75 Å²	75	113 Å²	113	40%	0.401	59%	0.591	S	S	.	*			trans	-78.1	166.4	167	65.7	26.1	0	0	0	110.6	I80 N84 G85 R86	I80-N82 PolarHBondContact O-N 2.91Å; N82-N84 PolarHBondContact O-N 3.41Å; N82-N84 PolarHBondContact OD1-N 3.44Å; N82-G85 PolarHBondContact O-N 3.19Å; N82-G85 PolarHBondContact OD1-N 3.31Å; N82-R86 PolarHBondContact N-O 3.26Å; N82-R86 PolarHBondContact OD1-N 2.91Å; N82-R86 PolarHBondContact OD1-O 3.25Å
83	E	53.1	Low	47.1	Very low	201 Å²	201	107.2 Å²	107.2	94%	0.939	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.8	-20.8	-178	-63.3	-176.5	165.1	0	0	114.1
84	N	50.3	Low	48.4	Very low	134 Å²	134	102.1 Å²	102.1	72%	0.717	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	11.9	179.1	-66.8	-31.1	0	0	0	113.7	N82 R86	N82-N84 PolarHBondContact O-N 3.41Å; N82-N84 PolarHBondContact OD1-N 3.44Å; N84-R86 PolarHBondContact O-N 3.08Å
85	G	45.7	Very low	49.7	Very low	60 Å²	60	100.1 Å²	100.1	62%	0.619	53%	0.534	S	S	*	.			trans	63.8	11.1	-179.8	0	0	0	0	0	114	N82 I87	N82-G85 PolarHBondContact O-N 3.19Å; N82-G85 PolarHBondContact OD1-N 3.31Å; G85-I87 PolarHBondContact O-N 2.89Å
86	R	42.3	Very low	51.1	Low	189 Å²	189	98.3 Å²	98.3	71%	0.713	52%	0.519	S	S	*	.			trans	-78.7	120.5	172.8	-63.9	-174.3	179.7	-178.2	0	107.1	N82 N84 G88	N82-R86 PolarHBondContact N-O 3.26Å; N82-R86 PolarHBondContact OD1-N 2.91Å; N82-R86 PolarHBondContact OD1-O 3.25Å; N84-R86 PolarHBondContact O-N 3.08Å; R86-G88 VanDerWaalsContact C-N 3.25Å; R86-G88 PolarHBondContact O-N 2.83Å
87	I	43.7	Very low	52.7	Low	119 Å²	119	96.2 Å²	96.2	61%	0.61	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.5	93.6	168.4	-59.7	171.9	0	0	0	106.6	Y79 G85 L89	Y79-I87 HydrophobicContact CD1-CG2 3.68Å; Y79-I87 HydrophobicContact CE1-CG2 4.17Å; G85-I87 PolarHBondContact O-N 2.89Å; I87-L89 HydrophobicContact CG2-CD2 4.12Å; I87-L89 PolarHBondContact O-N 3.36Å
88	G	47.1	Very low	54.4	Low	31 Å²	31	96.8 Å²	96.8	32%	0.32	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	105.2	165.3	0	0	0	0	0	106.3	R86 N90	R86-G88 VanDerWaalsContact C-N 3.25Å; R86-G88 PolarHBondContact O-N 2.83Å; G88-N90 VanDerWaalsContact C-N 3.25Å; G88-N90 PolarHBondContact O-N 3.28Å
89	L	46.8	Very low	56.3	Low	79 Å²	79	97.4 Å²	97.4	41%	0.414	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	95.6	164.9	-66	177.2	0	0	0	106.8	L77 Y79 I87 F91	L77-L89 HydrophobicContact CD1-CD2 3.85Å; Y79-L89 HydrophobicContact CE1-CD2 4.2Å; I87-L89 HydrophobicContact CG2-CD2 4.12Å; I87-L89 PolarHBondContact O-N 3.36Å; L89-F91 HydrophobicContact CB-CD2 4.04Å; L89-F91 HydrophobicContact CB-CE2 3.76Å; L89-F91 HydrophobicContact CB-CZ 4.07Å; L89-F91 HydrophobicContact CD1-CE1 4.23Å; L89-F91 HydrophobicContact CD1-CE2 4.07Å; L89-F91 HydrophobicContact CD1-CZ 3.63Å; L89-F91 PolarHBondContact O-N 2.84Å
90	N	50.7	Low	58.5	Low	88 Å²	88	91.8 Å²	91.8	47%	0.471	52%	0.524	S	S	.	.			trans	-70.2	88.2	156.3	-89.2	-14.1	0	0	0	105.4	G88 V92	G88-N90 VanDerWaalsContact C-N 3.25Å; G88-N90 PolarHBondContact O-N 3.28Å; N90-V92 PolarHBondContact O-N 3.22Å
91	F	53	Low	60.8	Low	79 Å²	79	90.3 Å²	90.3	35%	0.346	52%	0.521	S	S	.	.			trans	-54.7	113.3	166.7	-70	-81.3	0	0	0	107.2	L77 L89 F93	L77-F91 HydrophobicContact CD2-CD1 4.33Å; L89-F91 HydrophobicContact CB-CD2 4.04Å; L89-F91 HydrophobicContact CB-CE2 3.76Å; L89-F91 HydrophobicContact CB-CZ 4.07Å; L89-F91 HydrophobicContact CD1-CE1 4.23Å; L89-F91 HydrophobicContact CD1-CE2 4.07Å; L89-F91 HydrophobicContact CD1-CZ 3.63Å; L89-F91 PolarHBondContact O-N 2.84Å; F91-F93 HydrophobicContact CB-CD2 4.36Å; F91-F93 HydrophobicContact CB-CE1 4.39Å; F91-F93 HydrophobicContact CB-CE2 4Å; F91-F93 HydrophobicContact CB-CZ 4.02Å; F91-F93 VanDerWaalsContact O-CD2 3.23Å; F91-F93 WeakPolarHBondContact O-CD2 3.39Å; F91-F93 PolarHBondContact O-N 3.1Å
92	V	56.1	Low	63	Low	103 Å²	103	90.1 Å²	90.1	62%	0.624	52%	0.515	S	S	*	.			trans	-68.6	94.4	162.5	-179.4	0	0	0	0	104.7	N90 A94	N90-V92 PolarHBondContact O-N 3.22Å; V92-A94 PolarHBondContact O-N 3.25Å
93	F	62.4	Low	65.4	Low	69 Å²	69	86.6 Å²	86.6	30%	0.303	50%	0.497	S	S	.	.			trans	-63.1	113.3	176.1	-68.9	-84.1	0	0	0	107.9	F91 F95 K186	F91-F93 HydrophobicContact CB-CD2 4.36Å; F91-F93 HydrophobicContact CB-CE1 4.39Å; F91-F93 HydrophobicContact CB-CE2 4Å; F91-F93 HydrophobicContact CB-CZ 4.02Å; F91-F93 VanDerWaalsContact O-CD2 3.23Å; F91-F93 WeakPolarHBondContact O-CD2 3.39Å; F91-F93 PolarHBondContact O-N 3.1Å; F93-F95 HydrophobicContact CB-CE1 4.15Å; F93-F95 HydrophobicContact CB-CZ 4.24Å; F93-K186 HydrophobicContact CE2-CD 4.32Å; F93-K186 HydrophobicContact CE2-CG 3.7Å; F93-K186 HydrophobicContact CZ-CG 3.78Å
94	A	67	Low	67.5	Low	47 Å²	47	84.7 Å²	84.7	39%	0.388	49%	0.485	S	S	.	.			trans	-77.6	139.3	158.7	0	0	0	0	0	107.7	F65 V92	F65-A94 HydrophobicContact CD2-CB 3.68Å; F65-A94 WeakPolarHBondContact CD2-O 3.18Å; F65-A94 HydrophobicContact CE2-CB 3.66Å; V92-A94 PolarHBondContact O-N 3.25Å
95	F	73.4	Confident	69.7	Low	37 Å²	37	81.6 Å²	81.6	16%	0.162	47%	0.465	C	S	.	.	B	Isolated β-bridge	trans	-101.6	144.7	170	-56.8	-62	0	0	0	108.6	I62 F93 G97 G98 V100 A185	I62-F95 HydrophobicContact CG2-CD1 3.19Å; I62-F95 HydrophobicContact CG2-CE1 3.12Å; I62-F95 HydrophobicContact CG2-CG 4.16Å; I62-F95 HydrophobicContact CG2-CZ 4.04Å; F93-F95 HydrophobicContact CB-CE1 4.15Å; F93-F95 HydrophobicContact CB-CZ 4.24Å; F95-G97 PolarHBondContact O-N 3.32Å; F95-G97 VanDerWaalsContact O-N 3.16Å; F95-G98 PolarHBondContact O-N 3.01Å; F95-V100 HydrophobicContact CD2-CG2 3.65Å; F95-V100 HydrophobicContact CE2-CG2 3.63Å; F95-V100 HydrophobicContact CG-CG2 4.35Å; F95-V100 HydrophobicContact CZ-CG2 4.33Å; F95-A185 HydrophobicContact CE1-CB 3.72Å; F95-A185 HydrophobicContact CZ-CB 3.97Å
96	R	72.7	Confident	72.1	Confident	148 Å²	148	78.8 Å²	78.8	56%	0.558	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-33.2	175.3	-73.2	-176.3	175.4	-143.8	1.4	112.3	E63 F65 G98	E63-R96 HydrophobicContact CB-CB 4.42Å; E63-R96 PolarHBondContact O-N 2.69Å; F65-R96 HydrophobicContact CD1-CG 4Å; F65-R96 HydrophobicContact CE1-CG 3.64Å; F65-R96 HydrophobicContact CE2-CG 4.24Å; F65-R96 HydrophobicContact CG-CG 4.46Å; F65-R96 HydrophobicContact CZ-CB 4.35Å; F65-R96 HydrophobicContact CZ-CG 3.76Å; R96-G98 VanDerWaalsContact C-N 3.32Å
97	G	73.2	Confident	74.7	Confident	76 Å²	76	72 Å²	72	78%	0.784	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	2.6	175.5	0	0	0	0	0	115.6	F95 V99	F95-G97 PolarHBondContact O-N 3.32Å; F95-G97 VanDerWaalsContact O-N 3.16Å; G97-V99 PolarHBondContact O-N 3.23Å
98	G	81.8	Confident	77.3	Confident	44 Å²	44	70.8 Å²	70.8	45%	0.454	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	79	-111.2	-176.8	0	0	0	0	0	112.8	F95 R96	F95-G98 PolarHBondContact O-N 3.01Å; R96-G98 VanDerWaalsContact C-N 3.32Å
99	V	85.3	Confident	79.7	Confident	131 Å²	131	69.4 Å²	69.4	79%	0.794	40%	0.397	S	S	*	.			trans	-90.9	133.6	-173.8	178.6	0	0	0	0	110.7	G97 P101	G97-V99 PolarHBondContact O-N 3.23Å; V99-P101 WeakPolarHBondContact O-CD 3.48Å
100	V	88.5	Confident	82.1	Confident	38 Å²	38	66.5 Å²	66.5	23%	0.23	38%	0.382	C	S	.	.			trans	-79.5	115.2	166.6	-178.6	0	0	0	0	108.5	V60 F95 V181	V60-V100 HydrophobicContact CG1-CG1 3.86Å; V60-V100 HydrophobicContact CG2-CG1 4.45Å; F95-V100 HydrophobicContact CD2-CG2 3.65Å; F95-V100 HydrophobicContact CE2-CG2 3.63Å; F95-V100 HydrophobicContact CG-CG2 4.35Å; F95-V100 HydrophobicContact CZ-CG2 4.33Å; V100-V181 HydrophobicContact CB-CG1 4.26Å; V100-V181 HydrophobicContact CG1-CG1 3.94Å; V100-V181 HydrophobicContact CG1-CG2 4.42Å; V100-V181 HydrophobicContact CG2-CG1 4.19Å
101	P	90.7	Very high	84.3	Confident	72 Å²	72	70 Å²	70	47%	0.468	39%	0.393	S	S	.	.			trans	-72.1	149.9	-177.2	30	-35	0	0	0	112.1	V99 R177	V99-P101 WeakPolarHBondContact O-CD 3.48Å; P101-R177 PolarHBondContact O-NH1 3Å; P101-R177 VanDerWaalsContact O-NH1 3.12Å
102	S	93.4	Very high	86.5	Confident	72 Å²	72	68.4 Å²	68.4	50%	0.503	39%	0.388	S	S	.	.			trans	-66.9	157.8	165.1	-58.1	0	0	0	0	111.1	K104	S102-K104 PolarHBondContact O-N 3.29Å
103	N	96.7	Very high	88.5	Confident	2 Å²	2	63.7 Å²	63.7	1%	0.011	36%	0.359	C	S	.	.			trans	-64.1	106.8	171.1	-173.6	-43.5	0	0	0	110	I56 E58 K105 L106 A107 Y173 D201	I56-N103 PolarHBondContact O-ND2 2.79Å; E58-N103 HydrophobicContact CB-CB 4.24Å; N103-K105 VanDerWaalsContact C-N 3.3Å; N103-K105 PolarHBondContact O-N 2.99Å; N103-K105 WeakPolarHBondContact OD1-CB 3.42Å; N103-K105 PolarHBondContact OD1-N 2.95Å; N103-L106 HydrophobicContact CB-CB 4.23Å; N103-L106 HydrophobicContact CB-CD1 4.11Å; N103-L106 HydrophobicContact CB-CG 4.46Å; N103-L106 PolarHBondContact OD1-N 3.42Å; N103-A107 WeakPolarHBondContact O-CB 3.5Å; N103-A107 PolarHBondContact O-N 3.45Å; N103-Y173 WeakPolarHBondContact CB-OH 3.47Å; N103-D201 VanDerWaalsContact ND2-CG 3.32Å; N103-D201 PolarHBondContact ND2-OD2 2.92Å
104	K	95.8	Very high	90.1	Very high	161 Å²	161	63.7 Å²	63.7	70%	0.7	36%	0.359	S	S	*	.	H	α-helix	trans	-68.2	-29.8	-175.1	-64.3	179.5	-177.4	173.1	0	112.6	S102 H108	S102-K104 PolarHBondContact O-N 3.29Å; K104-H108 WeakPolarHBondContact O-CB 3.46Å; K104-H108 PolarHBondContact O-N 3.45Å
105	K	96.5	Very high	91.6	Very high	69 Å²	69	65 Å²	65	30%	0.3	36%	0.364	S	S	.	.	H	α-helix	trans	-69.7	-47.7	-178.9	-56.9	164.4	-167.2	154.8	0	109.6	E55 I56 V57 E58 N103 H108 L109	E55-K105 WeakPolarHBondContact O-CD 3.31Å; E55-K105 VanDerWaalsContact O-CE 3.23Å; E55-K105 WeakPolarHBondContact O-CE 3.4Å; E55-K105 PolarHBondContact O-NZ 3.26Å; I56-K105 HydrophobicContact CD1-CB 4.19Å; V57-K105 PolarHBondContact O-NZ 2.78Å; E58-K105 IonicContact OE2-NZ 3.87Å; E58-K105 PolarHBondContact OE2-NZ 2.88Å; N103-K105 VanDerWaalsContact C-N 3.3Å; N103-K105 PolarHBondContact O-N 2.99Å; N103-K105 WeakPolarHBondContact OD1-CB 3.42Å; N103-K105 PolarHBondContact OD1-N 2.95Å; K105-H108 WeakPolarHBondContact O-CB 3.39Å; K105-H108 PolarHBondContact O-N 2.97Å; K105-L109 PolarHBondContact O-N 3.47Å
106	L	97.7	Very high	92.8	Very high	0 Å²	0	65 Å²	65	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-66.1	-41.5	173.7	-70.5	170.1	0	0	0	111.8	I56 N103 H108 L109 I110 Y173 D201 E204 F205 I208	I56-L106 HydrophobicContact CG2-CD1 3.81Å; I56-L106 HydrophobicContact CG2-CD2 3.72Å; I56-L106 HydrophobicContact CG2-CG 3.58Å; N103-L106 HydrophobicContact CB-CB 4.23Å; N103-L106 HydrophobicContact CB-CD1 4.11Å; N103-L106 HydrophobicContact CB-CG 4.46Å; N103-L106 PolarHBondContact OD1-N 3.42Å; L106-H108 PolarHBondContact O-N 3.29Å; L106-L109 HydrophobicContact CD2-CD1 4.44Å; L106-L109 PolarHBondContact O-N 3.13Å; L106-L109 VanDerWaalsContact O-N 3.1Å; L106-I110 WeakPolarHBondContact O-CB 3.49Å; L106-I110 VanDerWaalsContact O-CG1 3.3Å; L106-I110 WeakPolarHBondContact O-CG1 3.44Å; L106-I110 PolarHBondContact O-N 3.34Å; L106-Y173 HydrophobicContact CB-CE1 4.35Å; L106-Y173 HydrophobicContact CD1-CE1 4.27Å; L106-Y173 HydrophobicContact CD1-CE2 4.04Å; L106-Y173 WeakPolarHBondContact CD1-OH 3.31Å; L106-D201 HydrophobicContact CD1-CB 3.91Å; L106-D201 WeakPolarHBondContact CD1-O 2.89Å; L106-E204 HydrophobicContact CD1-CB 4.11Å; L106-E204 HydrophobicContact CD1-CG 4.17Å; L106-E204 HydrophobicContact CD2-CB 4.36Å; L106-E204 HydrophobicContact CD2-CG 4.07Å; L106-F205 HydrophobicContact CD2-CB 3.99Å; L106-I208 HydrophobicContact CD2-CD1 3.95Å
107	A	96.9	Very high	94	Very high	48 Å²	48	58 Å²	58	40%	0.397	34%	0.339	S	S	.	.	H	α-helix	trans	-57.7	-36.6	175.4	0	0	0	0	0	112.6	N103 K111	N103-A107 WeakPolarHBondContact O-CB 3.5Å; N103-A107 PolarHBondContact O-N 3.45Å; A107-K111 WeakPolarHBondContact O-CB 3.39Å; A107-K111 PolarHBondContact O-N 3.26Å
108	H	97.1	Very high	95.1	Very high	93 Å²	93	61.4 Å²	61.4	43%	0.431	33%	0.328	S	S	.	.	H	α-helix	trans	-65.7	-45.7	174.3	179	-124.1	0	0	0	112.2	K104 K105 L106 K111 I112	K104-H108 WeakPolarHBondContact O-CB 3.46Å; K104-H108 PolarHBondContact O-N 3.45Å; K105-H108 WeakPolarHBondContact O-CB 3.39Å; K105-H108 PolarHBondContact O-N 2.97Å; L106-H108 PolarHBondContact O-N 3.29Å; H108-K111 WeakPolarHBondContact O-CB 3.37Å; H108-K111 PolarHBondContact O-N 3.3Å; H108-I112 PolarHBondContact O-N 3.32Å
109	L	97.7	Very high	95.9	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-63.6	-43.2	176.8	-62.5	176.6	0	0	0	111.7	L47 F48 I56 K105 L106 K111 I112 V113 F205 I208	L47-L109 HydrophobicContact CB-CD2 4.36Å; F48-L109 HydrophobicContact CE2-CD2 3.98Å; F48-L109 HydrophobicContact CZ-CD2 3.99Å; I56-L109 HydrophobicContact CD1-CD1 4.47Å; K105-L109 PolarHBondContact O-N 3.47Å; L106-L109 HydrophobicContact CD2-CD1 4.44Å; L106-L109 PolarHBondContact O-N 3.13Å; L106-L109 VanDerWaalsContact O-N 3.1Å; L109-K111 VanDerWaalsContact C-N 3.27Å; L109-K111 PolarHBondContact O-N 3.19Å; L109-I112 WeakPolarHBondContact O-CB 3.49Å; L109-I112 PolarHBondContact O-N 3.12Å; L109-V113 PolarHBondContact O-N 3.05Å; L109-F205 HydrophobicContact CD1-CD2 3.53Å; L109-F205 HydrophobicContact CD1-CE2 3.69Å; L109-I208 HydrophobicContact CB-CD1 4.19Å; L109-I208 HydrophobicContact CB-CG2 4.16Å
110	I	97.5	Very high	96.5	Very high	18 Å²	18	57 Å²	57	9%	0.092	29%	0.287	C	S	.	.	H	α-helix	trans	-58.6	-40.4	175	-70.1	165.7	0	0	0	110.8	L106 I112 V113 K114 I170 Y173 I208	L106-I110 WeakPolarHBondContact O-CB 3.49Å; L106-I110 VanDerWaalsContact O-CG1 3.3Å; L106-I110 WeakPolarHBondContact O-CG1 3.44Å; L106-I110 PolarHBondContact O-N 3.34Å; I110-I112 PolarHBondContact O-N 3.4Å; I110-V113 PolarHBondContact O-N 3.16Å; I110-K114 HydrophobicContact CG2-CB 4.48Å; I110-K114 WeakPolarHBondContact O-CB 3.47Å; I110-K114 PolarHBondContact O-N 3.34Å; I110-I170 HydrophobicContact CD1-CG2 4.32Å; I110-I170 HydrophobicContact CG1-CG2 4.4Å; I110-I170 HydrophobicContact CG2-CD1 4.4Å; I110-I170 HydrophobicContact CG2-CG2 3.55Å; I110-Y173 HydrophobicContact CD1-CD1 4.07Å; I110-Y173 HydrophobicContact CD1-CE1 4.17Å; I110-I208 HydrophobicContact CD1-CD1 4.42Å; I110-I208 HydrophobicContact CG1-CD1 3.75Å
111	K	97.8	Very high	97	Very high	161 Å²	161	56.8 Å²	56.8	70%	0.7	29%	0.285	S	S	*	.	H	α-helix	trans	-62.1	-29.3	177.2	-172.2	178.4	178.3	-177.5	0	112.6	A107 H108 L109 P115	A107-K111 WeakPolarHBondContact O-CB 3.39Å; A107-K111 PolarHBondContact O-N 3.26Å; H108-K111 WeakPolarHBondContact O-CB 3.37Å; H108-K111 PolarHBondContact O-N 3.3Å; L109-K111 VanDerWaalsContact C-N 3.27Å; L109-K111 PolarHBondContact O-N 3.19Å; K111-P115 WeakPolarHBondContact O-CD 3.32Å; K111-P115 WeakPolarHBondContact O-CG 3.33Å
112	I	97.8	Very high	97.3	Very high	46 Å²	46	58.8 Å²	58.8	24%	0.236	29%	0.289	C	S	.	.	H	α-helix	trans	-80.9	-46.8	176.3	-63.7	165.9	0	0	0	111	L42 L47 H108 L109 I110 P115	L42-I112 HydrophobicContact CD1-CG2 4.13Å; L42-I112 HydrophobicContact CD2-CG2 4.08Å; L47-I112 HydrophobicContact CD1-CD1 4.03Å; H108-I112 PolarHBondContact O-N 3.32Å; L109-I112 WeakPolarHBondContact O-CB 3.49Å; L109-I112 PolarHBondContact O-N 3.12Å; I110-I112 PolarHBondContact O-N 3.4Å; I112-P115 WeakPolarHBondContact O-CD 3.32Å
113	V	97.9	Very high	97.6	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.024	27%	0.266	C	S	.	.	H	α-helix	trans	-78.4	-34.5	-172.4	176.1	0	0	0	0	112.9	F48 L109 I110 L116 L117 I208 V211 V212	F48-V113 HydrophobicContact CE1-CG2 3.94Å; F48-V113 HydrophobicContact CZ-CG2 3.73Å; L109-V113 PolarHBondContact O-N 3.05Å; I110-V113 PolarHBondContact O-N 3.16Å; V113-L116 WeakPolarHBondContact O-CB 3.31Å; V113-L116 PolarHBondContact O-N 3.02Å; V113-L117 HydrophobicContact CG1-CD1 3.97Å; V113-L117 HydrophobicContact CG1-CG 4.05Å; V113-L117 PolarHBondContact O-N 2.87Å; V113-I208 HydrophobicContact CG2-CG2 3.94Å; V113-V211 HydrophobicContact CG1-CG1 4Å; V113-V212 HydrophobicContact CG1-CG2 4.17Å; V113-V212 HydrophobicContact CG2-CG2 3.52Å
114	K	97.5	Very high	97.6	Very high	70 Å²	70	55.7 Å²	55.7	30%	0.304	27%	0.267	S	S	.	.	H	α-helix	trans	-60	-41.6	-175.9	-173.3	172.6	-171.7	166.4	0	113.7	I110 R118 L167 I170	I110-K114 HydrophobicContact CG2-CB 4.48Å; I110-K114 WeakPolarHBondContact O-CB 3.47Å; I110-K114 PolarHBondContact O-N 3.34Å; K114-R118 WeakPolarHBondContact O-CG 3.47Å; K114-R118 PolarHBondContact O-N 3.42Å; K114-R118 VanDerWaalsContact O-N 3.12Å; K114-L167 HydrophobicContact CG-CD2 4.35Å; K114-I170 HydrophobicContact CB-CD1 4.09Å; K114-I170 HydrophobicContact CG-CD1 4.28Å
115	P	97.9	Very high	97.7	Very high	74 Å²	74	50.9 Å²	50.9	48%	0.481	25%	0.248	S	C	.	.	H	α-helix	trans	-61.5	-41.7	170.7	-25.3	35.3	0	0	0	113.6	K111 I112 L117 R118 E119	K111-P115 WeakPolarHBondContact O-CD 3.32Å; K111-P115 WeakPolarHBondContact O-CG 3.33Å; I112-P115 WeakPolarHBondContact O-CD 3.32Å; P115-L117 VanDerWaalsContact C-N 3.32Å; P115-L117 PolarHBondContact O-N 3.12Å; P115-R118 PolarHBondContact O-N 3.37Å; P115-E119 WeakPolarHBondContact O-CB 3.47Å; P115-E119 PolarHBondContact O-N 3.36Å
116	L	97.9	Very high	97.8	Very high	37 Å²	37	50.7 Å²	50.7	19%	0.194	25%	0.247	C	C	.	.	H	α-helix	trans	-61.3	-41.8	178.9	-58.7	174.6	0	0	0	111.4	L39 L42 V113 E119 A120 L215	L39-L116 HydrophobicContact CD2-CD1 4.06Å; L42-L116 HydrophobicContact CD2-CD1 3.76Å; V113-L116 WeakPolarHBondContact O-CB 3.31Å; V113-L116 PolarHBondContact O-N 3.02Å; L116-E119 PolarHBondContact O-N 3.16Å; L116-A120 WeakPolarHBondContact O-CB 3.45Å; L116-A120 PolarHBondContact O-N 3.23Å; L116-L215 HydrophobicContact CB-CD2 3.97Å
117	L	98.1	Very high	97.9	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-64.6	-44.1	175.2	-73.2	174.4	0	0	0	112.7	V113 P115 E119 A120 V121 V163 F166 L167 I170 V211	V113-L117 HydrophobicContact CG1-CD1 3.97Å; V113-L117 HydrophobicContact CG1-CG 4.05Å; V113-L117 PolarHBondContact O-N 2.87Å; P115-L117 VanDerWaalsContact C-N 3.32Å; P115-L117 PolarHBondContact O-N 3.12Å; L117-E119 VanDerWaalsContact C-N 3.3Å; L117-E119 PolarHBondContact O-N 3.32Å; L117-A120 WeakPolarHBondContact O-CB 3.34Å; L117-A120 PolarHBondContact O-N 3.14Å; L117-V121 WeakPolarHBondContact O-CG2 3.44Å; L117-V121 PolarHBondContact O-N 3.17Å; L117-V163 HydrophobicContact CD2-CG1 4.11Å; L117-F166 HydrophobicContact CD1-CB 3.92Å; L117-F166 HydrophobicContact CD2-CB 3.72Å; L117-F166 HydrophobicContact CD2-CD2 3.93Å; L117-F166 HydrophobicContact CD2-CG 4.33Å; L117-F166 HydrophobicContact CG-CB 4.48Å; L117-L167 HydrophobicContact CB-CD2 3.55Å; L117-L167 HydrophobicContact CB-CG 3.93Å; L117-L167 HydrophobicContact CD1-CD2 4.03Å; L117-L167 HydrophobicContact CD1-CG 4.36Å; L117-L167 HydrophobicContact CG-CD2 4.47Å; L117-I170 HydrophobicContact CD1-CD1 3.82Å; L117-V211 HydrophobicContact CD1-CG1 4.07Å; L117-V211 HydrophobicContact CD2-CG1 3.72Å; L117-V211 HydrophobicContact CG-CG1 4.21Å
118	R	97.8	Very high	97.9	Very high	147 Å²	147	50.9 Å²	50.9	56%	0.555	24%	0.238	S	C	*	.	H	α-helix	trans	-59.6	-44.8	177.3	-75.6	174.3	178.8	-107.3	-8	111.4	K114 P115 A120 V121 E122 L167	K114-R118 WeakPolarHBondContact O-CG 3.47Å; K114-R118 PolarHBondContact O-N 3.42Å; K114-R118 VanDerWaalsContact O-N 3.12Å; P115-R118 PolarHBondContact O-N 3.37Å; R118-A120 VanDerWaalsContact C-N 3.33Å; R118-V121 PolarHBondContact O-N 2.99Å; R118-E122 PolarHBondContact O-N 2.84Å; R118-L167 HydrophobicContact CG-CD2 4.2Å
119	E	97.9	Very high	98	Very high	83 Å²	83	48.5 Å²	48.5	39%	0.388	23%	0.227	S	C	.	.	H	α-helix	trans	-63.8	-41.2	177.7	-161.3	-178.4	-157.6	0	0	111.4	R35 P115 L116 L117 V121 E122 D123	R35-E119 VanDerWaalsContact CZ-CD 3.42Å; R35-E119 IonicContact CZ-OE1 3.6Å; R35-E119 IonicContact CZ-OE2 3.41Å; R35-E119 VanDerWaalsContact NH1-CG 3.35Å; R35-E119 IonicContact NH1-OE1 3.84Å; R35-E119 PolarHBondContact NH1-OE1 3.47Å; R35-E119 IonicContact NH1-OE2 3.53Å; R35-E119 PolarHBondContact NH1-OE2 2.89Å; R35-E119 IonicContact NH2-OE1 2.69Å; R35-E119 PolarHBondContact NH2-OE1 2.99Å; R35-E119 IonicContact NH2-OE2 2.94Å; P115-E119 WeakPolarHBondContact O-CB 3.47Å; P115-E119 PolarHBondContact O-N 3.36Å; L116-E119 PolarHBondContact O-N 3.16Å; L117-E119 VanDerWaalsContact C-N 3.3Å; L117-E119 PolarHBondContact O-N 3.32Å; E119-V121 PolarHBondContact O-N 3.05Å; E119-E122 PolarHBondContact O-N 2.93Å; E119-D123 VanDerWaalsContact O-CG 3.28Å; E119-D123 PolarHBondContact O-N 3.34Å
120	A	98.3	Very high	98	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-62.2	-38.9	176.2	0	0	0	0	0	113.4	L116 L117 R118 E122 D123 V124 V163 L215 Y219	L116-A120 WeakPolarHBondContact O-CB 3.45Å; L116-A120 PolarHBondContact O-N 3.23Å; L117-A120 WeakPolarHBondContact O-CB 3.34Å; L117-A120 PolarHBondContact O-N 3.14Å; R118-A120 VanDerWaalsContact C-N 3.33Å; A120-E122 VanDerWaalsContact C-N 3.34Å; A120-E122 PolarHBondContact O-N 3.43Å; A120-D123 PolarHBondContact O-N 3.42Å; A120-V124 WeakPolarHBondContact O-CB 2.92Å; A120-V124 WeakPolarHBondContact O-CG2 3.39Å; A120-V124 PolarHBondContact O-N 3.26Å; A120-V163 HydrophobicContact CB-CG1 3.77Å; A120-V163 HydrophobicContact CB-CG2 4.47Å; A120-L215 HydrophobicContact CB-CD1 3.35Å; A120-L215 HydrophobicContact CB-CD2 4.43Å; A120-Y219 VanDerWaalsContact CA-OH 3.23Å; A120-Y219 WeakPolarHBondContact CA-OH 3.41Å; A120-Y219 HydrophobicContact CB-CE2 4.45Å; A120-Y219 WeakPolarHBondContact CB-OH 3.48Å
121	V	98	Very high	98	Very high	32 Å²	32	47.8 Å²	47.8	19%	0.194	22%	0.223	C	C	.	.	H	α-helix	trans	-58.7	-48.2	173.2	171.9	0	0	0	0	110.5	L117 R118 E119 D123 I125 V163 L167	L117-V121 WeakPolarHBondContact O-CG2 3.44Å; L117-V121 PolarHBondContact O-N 3.17Å; R118-V121 PolarHBondContact O-N 2.99Å; E119-V121 PolarHBondContact O-N 3.05Å; V121-D123 VanDerWaalsContact C-N 3.34Å; V121-D123 PolarHBondContact O-N 3.03Å; V121-I125 HydrophobicContact CG1-CD1 3.66Å; V121-I125 WeakPolarHBondContact O-CB 3.47Å; V121-I125 WeakPolarHBondContact O-CD1 3.44Å; V121-I125 WeakPolarHBondContact O-CG1 3.46Å; V121-I125 PolarHBondContact O-N 3.1Å; V121-I125 VanDerWaalsContact O-N 3.07Å; V121-V163 HydrophobicContact CG2-CB 4.36Å; V121-V163 HydrophobicContact CG2-CG1 3.55Å; V121-L167 HydrophobicContact CG2-CD1 3.74Å
122	E	97.6	Very high	98	Very high	115 Å²	115	42.7 Å²	42.7	54%	0.537	21%	0.205	S	C	.	.	H	α-helix	trans	-62.6	-42	179.9	-67.9	-179.8	-168.7	0	0	112	R118 E119 A120 K126	R118-E122 PolarHBondContact O-N 2.84Å; E119-E122 PolarHBondContact O-N 2.93Å; A120-E122 VanDerWaalsContact C-N 3.34Å; A120-E122 PolarHBondContact O-N 3.43Å; E122-K126 VanDerWaalsContact O-CG 3.28Å; E122-K126 WeakPolarHBondContact O-CG 3.45Å; E122-K126 PolarHBondContact O-N 3.16Å
123	D	98.5	Very high	98	Very high	4 Å²	4	42 Å²	42	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-64.5	-48.6	179.8	-72.6	-16.4	0	0	0	112.2	L27 F32 R35 E119 A120 V121 I125 K126 V127 Y219	L27-D123 HydrophobicContact CD2-CB 4.02Å; F32-D123 HydrophobicContact CE1-CB 4.11Å; F32-D123 HydrophobicContact CZ-CB 4.49Å; R35-D123 IonicContact CZ-OD2 2.67Å; R35-D123 IonicContact NE-OD2 2.67Å; R35-D123 PolarHBondContact NE-OD2 2.71Å; R35-D123 IonicContact NH1-OD2 3.96Å; R35-D123 PolarHBondContact NH1-OD2 3.37Å; R35-D123 IonicContact NH2-OD1 3.88Å; R35-D123 IonicContact NH2-OD2 3.87Å; R35-D123 PolarHBondContact NH2-OD2 3.49Å; E119-D123 VanDerWaalsContact O-CG 3.28Å; E119-D123 PolarHBondContact O-N 3.34Å; A120-D123 PolarHBondContact O-N 3.42Å; V121-D123 VanDerWaalsContact C-N 3.34Å; V121-D123 PolarHBondContact O-N 3.03Å; D123-I125 VanDerWaalsContact C-N 3.3Å; D123-I125 PolarHBondContact O-N 3.12Å; D123-K126 WeakPolarHBondContact O-CB 3.45Å; D123-K126 PolarHBondContact O-N 3.36Å; D123-K126 VanDerWaalsContact O-N 3.13Å; D123-V127 WeakPolarHBondContact O-CG2 3.29Å; D123-V127 PolarHBondContact O-N 2.87Å; D123-Y219 HydrophobicContact CB-CE1 4.36Å; D123-Y219 PolarHBondContact OD2-OH 2.98Å; D123-Y219 VanDerWaalsContact OD2-OH 3.11Å
124	V	98.3	Very high	97.9	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.024	21%	0.208	C	C	.	.	H	α-helix	trans	-64.7	-37.8	-179.1	177.4	0	0	0	0	110.5	A120 K126 V127 R128 V156 V159 E160 L222	A120-V124 WeakPolarHBondContact O-CB 2.92Å; A120-V124 WeakPolarHBondContact O-CG2 3.39Å; A120-V124 PolarHBondContact O-N 3.26Å; V124-K126 PolarHBondContact O-N 3.24Å; V124-V127 PolarHBondContact O-N 3.12Å; V124-R128 WeakPolarHBondContact O-CB 3.45Å; V124-R128 PolarHBondContact O-N 3.35Å; V124-V156 HydrophobicContact CG1-CG1 3.8Å; V124-V156 VanDerWaalsContact CG1-O 3.29Å; V124-V156 WeakPolarHBondContact CG1-O 3.48Å; V124-V159 HydrophobicContact CG1-CB 4.34Å; V124-V159 HydrophobicContact CG1-CG1 4.23Å; V124-V159 HydrophobicContact CG2-CG1 3.74Å; V124-E160 HydrophobicContact CG1-CB 3.74Å; V124-E160 HydrophobicContact CG1-CG 4.46Å; V124-L222 HydrophobicContact CG2-CD1 4.35Å
125	I	98.1	Very high	97.8	Very high	61 Å²	61	43 Å²	43	31%	0.313	21%	0.208	S	C	.	.	H	α-helix	trans	-61.3	-43.7	172.7	-72.2	168	0	0	0	111.5	V121 D123 R128 M129 E160	V121-I125 HydrophobicContact CG1-CD1 3.66Å; V121-I125 WeakPolarHBondContact O-CB 3.47Å; V121-I125 WeakPolarHBondContact O-CD1 3.44Å; V121-I125 WeakPolarHBondContact O-CG1 3.46Å; V121-I125 PolarHBondContact O-N 3.1Å; V121-I125 VanDerWaalsContact O-N 3.07Å; D123-I125 VanDerWaalsContact C-N 3.3Å; D123-I125 PolarHBondContact O-N 3.12Å; I125-R128 PolarHBondContact O-N 3.34Å; I125-M129 WeakPolarHBondContact O-CG 3.43Å; I125-M129 PolarHBondContact O-N 3.05Å; I125-E160 HydrophobicContact CG1-CG 4.35Å; I125-E160 WeakPolarHBondContact CG1-OE1 3.29Å
126	K	98.2	Very high	97.5	Very high	65 Å²	65	41.5 Å²	41.5	28%	0.283	20%	0.198	S	C	.	.	H	α-helix	trans	-61.1	-47	176.5	-72.4	169.4	-170.1	163.7	0	110.8	L20 T24 L27 E122 D123 V124 R128 M129 W130	L20-K126 HydrophobicContact CD1-CB 4.47Å; L20-K126 HydrophobicContact CD1-CG 4.02Å; T24-K126 HydrophobicContact CG2-CB 4.19Å; L27-K126 HydrophobicContact CD2-CB 4.35Å; L27-K126 HydrophobicContact CD2-CD 4.12Å; E122-K126 VanDerWaalsContact O-CG 3.28Å; E122-K126 WeakPolarHBondContact O-CG 3.45Å; E122-K126 PolarHBondContact O-N 3.16Å; D123-K126 WeakPolarHBondContact O-CB 3.45Å; D123-K126 PolarHBondContact O-N 3.36Å; D123-K126 VanDerWaalsContact O-N 3.13Å; V124-K126 PolarHBondContact O-N 3.24Å; K126-R128 PolarHBondContact O-N 3.01Å; K126-M129 PolarHBondContact O-N 2.76Å; K126-W130 WeakPolarHBondContact O-CB 3.09Å; K126-W130 PolarHBondContact O-N 3.38Å
127	V	98.5	Very high	97.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.5	-45.2	176.5	177.3	0	0	0	0	111.3	T24 V28 F32 D123 V124 M129 W130 I131 V156 I226	T24-V127 HydrophobicContact CG2-CB 4.4Å; T24-V127 HydrophobicContact CG2-CG2 3.92Å; V28-V127 HydrophobicContact CG2-CG2 3.48Å; V28-V127 VanDerWaalsContact CG2-CG2 3.48Å; F32-V127 HydrophobicContact CE2-CG2 4.26Å; F32-V127 HydrophobicContact CZ-CG2 3.75Å; D123-V127 WeakPolarHBondContact O-CG2 3.29Å; D123-V127 PolarHBondContact O-N 2.87Å; V124-V127 PolarHBondContact O-N 3.12Å; V127-M129 PolarHBondContact O-N 3.18Å; V127-W130 WeakPolarHBondContact O-CB 3.3Å; V127-W130 PolarHBondContact O-N 3.01Å; V127-I131 HydrophobicContact CG1-CD1 4.12Å; V127-I131 WeakPolarHBondContact O-CG1 3.31Å; V127-I131 PolarHBondContact O-N 3.18Å; V127-V156 HydrophobicContact CB-CG1 4.4Å; V127-V156 HydrophobicContact CG1-CG1 4.22Å; V127-V156 HydrophobicContact CG1-CG2 3.8Å; V127-I226 HydrophobicContact CG1-CD1 3.73Å
128	R	98.2	Very high	96.9	Very high	51 Å²	51	55.8 Å²	55.8	19%	0.192	27%	0.265	C	S	.	.	H	α-helix	trans	-56.7	-51	176.1	-174.8	177.2	50.7	65.1	-1.2	111.1	V124 I125 K126 W130 I131 V132 L153 V156 E160	V124-R128 WeakPolarHBondContact O-CB 3.45Å; V124-R128 PolarHBondContact O-N 3.35Å; I125-R128 PolarHBondContact O-N 3.34Å; K126-R128 PolarHBondContact O-N 3.01Å; R128-W130 VanDerWaalsContact C-N 3.3Å; R128-W130 PolarHBondContact O-N 3.29Å; R128-I131 PolarHBondContact O-N 3.29Å; R128-V132 VanDerWaalsContact O-CG2 3.27Å; R128-V132 WeakPolarHBondContact O-CG2 3.35Å; R128-V132 PolarHBondContact O-N 3.1Å; R128-L153 HydrophobicContact CB-CD1 4.5Å; R128-L153 HydrophobicContact CG-CD1 3.65Å; R128-V156 HydrophobicContact CB-CG1 3.73Å; R128-V156 HydrophobicContact CG-CG1 4.47Å; R128-E160 WeakPolarHBondContact CD-OE2 3.48Å; R128-E160 IonicContact CZ-OE1 3.9Å; R128-E160 IonicContact CZ-OE2 3.61Å; R128-E160 IonicContact NE-OE1 2.88Å; R128-E160 PolarHBondContact NE-OE1 3.38Å; R128-E160 IonicContact NE-OE2 2.81Å; R128-E160 PolarHBondContact NE-OE2 3.26Å; R128-E160 IonicContact NH2-OE1 3.3Å; R128-E160 PolarHBondContact NH2-OE1 3Å
129	M	98.3	Very high	96.4	Very high	44 Å²	44	53.4 Å²	53.4	22%	0.217	26%	0.26	C	S	.	.	H	α-helix	trans	-64.4	-36.2	180	-71.4	-54.6	-52.7	0	0	112.1	L20 I125 K126 V127 V132 F133	L20-M129 HydrophobicContact CD2-CB 3.68Å; I125-M129 WeakPolarHBondContact O-CG 3.43Å; I125-M129 PolarHBondContact O-N 3.05Å; K126-M129 PolarHBondContact O-N 2.76Å; V127-M129 PolarHBondContact O-N 3.18Å; M129-V132 PolarHBondContact O-N 2.95Å; M129-F133 HydrophobicContact CE-CD1 4.37Å; M129-F133 HydrophobicContact CE-CE1 3.58Å; M129-F133 HydrophobicContact CE-CE2 4.13Å; M129-F133 HydrophobicContact CE-CZ 3.42Å; M129-F133 VanDerWaalsContact CE-CZ 3.42Å; M129-F133 VanDerWaalsContact O-CB 3.3Å; M129-F133 WeakPolarHBondContact O-CB 3.46Å; M129-F133 WeakPolarHBondContact O-CD2 3.2Å; M129-F133 WeakPolarHBondContact O-CG 3.38Å; M129-F133 PolarHBondContact O-N 3.46Å
130	W	98.2	Very high	95.7	Very high	4 Å²	4	57.4 Å²	57.4	2%	0.015	28%	0.284	C	S	.	.	H	α-helix	trans	-61.6	-47.5	175.7	178.2	58.5	0	0	0	112.2	T24 E25 K126 V127 R128 F133 L134 I226 L230 L233	T24-W130 HydrophobicContact CG2-CB 3.54Å; T24-W130 HydrophobicContact CG2-CD2 4.06Å; T24-W130 HydrophobicContact CG2-CE3 4.21Å; T24-W130 HydrophobicContact CG2-CG 3.82Å; E25-W130 HydrophobicContact CB-CZ2 4.12Å; E25-W130 HydrophobicContact CG-CZ2 4.36Å; K126-W130 WeakPolarHBondContact O-CB 3.09Å; K126-W130 PolarHBondContact O-N 3.38Å; V127-W130 WeakPolarHBondContact O-CB 3.3Å; V127-W130 PolarHBondContact O-N 3.01Å; R128-W130 VanDerWaalsContact C-N 3.3Å; R128-W130 PolarHBondContact O-N 3.29Å; W130-F133 PolarHBondContact O-N 3.09Å; W130-L134 HydrophobicContact CD2-CD1 4.09Å; W130-L134 HydrophobicContact CG-CD1 4.37Å; W130-L134 HydrophobicContact CZ2-CD1 4.03Å; W130-L134 WeakPolarHBondContact O-CG 3.42Å; W130-L134 PolarHBondContact O-N 3.33Å; W130-L134 VanDerWaalsContact O-N 3.14Å; W130-I226 HydrophobicContact CH2-CG2 3.94Å; W130-I226 HydrophobicContact CZ3-CD1 4.38Å; W130-I226 HydrophobicContact CZ3-CG2 3.75Å; W130-L230 HydrophobicContact CH2-CD1 3.92Å; W130-L230 HydrophobicContact CZ2-CD1 4.45Å; W130-L233 HydrophobicContact CE3-CD2 4.18Å; W130-L233 HydrophobicContact CH2-CD2 3.58Å; W130-L233 HydrophobicContact CZ2-CD2 4.04Å; W130-L233 HydrophobicContact CZ3-CD1 4.5Å; W130-L233 HydrophobicContact CZ3-CD2 3.65Å
131	I	97.8	Very high	95.2	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-63.9	-46.4	176.4	-61.4	170.2	0	0	0	110.5	V127 R128 F133 L134 M135 Q149 I152 L153 V156 L233	V127-I131 HydrophobicContact CG1-CD1 4.12Å; V127-I131 WeakPolarHBondContact O-CG1 3.31Å; V127-I131 PolarHBondContact O-N 3.18Å; R128-I131 PolarHBondContact O-N 3.29Å; I131-F133 PolarHBondContact O-N 3Å; I131-L134 CarbonylContact O-C 3.47Å; I131-L134 PolarHBondContact O-N 3.31Å; I131-M135 WeakPolarHBondContact O-CG 3.44Å; I131-M135 PolarHBondContact O-N 3.44Å; I131-Q149 HydrophobicContact CG2-CB 4.31Å; I131-I152 HydrophobicContact CD1-CB 4.47Å; I131-I152 HydrophobicContact CD1-CG2 3.72Å; I131-L153 HydrophobicContact CB-CD1 4.29Å; I131-L153 HydrophobicContact CG2-CB 3.98Å; I131-L153 HydrophobicContact CG2-CD1 4.33Å; I131-V156 HydrophobicContact CD1-CG2 3.93Å; I131-L233 HydrophobicContact CD1-CD1 4.41Å; I131-L233 HydrophobicContact CG1-CD1 4.22Å
132	V	97.5	Very high	94.7	Very high	53 Å²	53	63.4 Å²	63.4	32%	0.321	33%	0.33	S	S	.	.	H	α-helix	trans	-55.5	-37.5	176.1	168.4	0	0	0	0	111.7	R128 M129 L134 M135 L153	R128-V132 VanDerWaalsContact O-CG2 3.27Å; R128-V132 WeakPolarHBondContact O-CG2 3.35Å; R128-V132 PolarHBondContact O-N 3.1Å; M129-V132 PolarHBondContact O-N 2.95Å; V132-L134 VanDerWaalsContact C-N 3.35Å; V132-M135 PolarHBondContact O-N 2.94Å; V132-L153 HydrophobicContact CG2-CD1 4.01Å; V132-L153 HydrophobicContact CG2-CD2 4Å
133	F	96.9	Very high	94.5	Very high	32 Å²	32	60.9 Å²	60.9	14%	0.14	32%	0.32	C	S	.	.	H	α-helix	trans	-74.9	-22.2	178.9	-76.4	-15.9	0	0	0	115.2	W16 K17 L20 M21 M129 W130 I131	W16-F133 HydrophobicContact CE3-CZ 4.49Å; W16-F133 HydrophobicContact CH2-CE2 4.03Å; W16-F133 AromaticContact CH2-CZ 3.74Å; W16-F133 HydrophobicContact CH2-CZ 3.74Å; W16-F133 AromaticContact CZ3-CE2 3.94Å; W16-F133 HydrophobicContact CZ3-CE2 3.94Å; W16-F133 AromaticContact CZ3-CZ 3.52Å; W16-F133 HydrophobicContact CZ3-CZ 3.52Å; K17-F133 HydrophobicContact CB-CE2 4.36Å; K17-F133 HydrophobicContact CD-CD1 4.35Å; K17-F133 HydrophobicContact CD-CD2 4.36Å; K17-F133 HydrophobicContact CD-CG 4.19Å; K17-F133 VanDerWaalsContact CE-CB 3.45Å; K17-F133 HydrophobicContact CG-CD2 3.71Å; K17-F133 HydrophobicContact CG-CE2 3.91Å; K17-F133 HydrophobicContact CG-CG 4.04Å; K17-F133 HydrophobicContact CG-CZ 4.44Å; K17-F133 PolarHBondContact NZ-O 3.39Å; K17-F133 VanDerWaalsContact NZ-O 3.14Å; L20-F133 HydrophobicContact CD2-CD2 3.94Å; L20-F133 HydrophobicContact CD2-CE2 3.47Å; L20-F133 VanDerWaalsContact CD2-CE2 3.47Å; M21-F133 HydrophobicContact CG-CB 4.43Å; M21-F133 HydrophobicContact CG-CD2 4.42Å; M21-F133 HydrophobicContact SD-CB 4.31Å; M129-F133 HydrophobicContact CE-CD1 4.37Å; M129-F133 HydrophobicContact CE-CE1 3.58Å; M129-F133 HydrophobicContact CE-CE2 4.13Å; M129-F133 HydrophobicContact CE-CZ 3.42Å; M129-F133 VanDerWaalsContact CE-CZ 3.42Å; M129-F133 VanDerWaalsContact O-CB 3.3Å; M129-F133 WeakPolarHBondContact O-CB 3.46Å; M129-F133 WeakPolarHBondContact O-CD2 3.2Å; M129-F133 WeakPolarHBondContact O-CG 3.38Å; M129-F133 PolarHBondContact O-N 3.46Å; W130-F133 PolarHBondContact O-N 3.09Å; I131-F133 PolarHBondContact O-N 3Å
134	L	96.2	Very high	94.2	Very high	35 Å²	35	67.2 Å²	67.2	18%	0.183	35%	0.348	C	S	.	.	H	α-helix	trans	-88.8	-13.8	174	-68.5	172.2	0	0	0	112.8	W130 I131 V132 Q149 L233	W130-L134 HydrophobicContact CD2-CD1 4.09Å; W130-L134 HydrophobicContact CG-CD1 4.37Å; W130-L134 HydrophobicContact CZ2-CD1 4.03Å; W130-L134 WeakPolarHBondContact O-CG 3.42Å; W130-L134 PolarHBondContact O-N 3.33Å; W130-L134 VanDerWaalsContact O-N 3.14Å; I131-L134 CarbonylContact O-C 3.47Å; I131-L134 PolarHBondContact O-N 3.31Å; V132-L134 VanDerWaalsContact C-N 3.35Å; L134-Q149 PolarHBondContact O-NE2 3.37Å; L134-L233 HydrophobicContact CD1-CD2 3.4Å
135	M	94.8	Very high	94	Very high	59 Å²	59	67.1 Å²	67.1	29%	0.291	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-61.9	125.6	174.1	-69.5	-169.4	77.6	0	0	110	I131 V132 V146 E150 L153	I131-M135 WeakPolarHBondContact O-CG 3.44Å; I131-M135 PolarHBondContact O-N 3.44Å; V132-M135 PolarHBondContact O-N 2.94Å; M135-V146 HydrophobicContact CE-CG1 4.19Å; M135-E150 HydrophobicContact CE-CG 3.69Å; M135-L153 HydrophobicContact SD-CD2 3.95Å
136	P	93.3	Very high	94	Very high	44 Å²	44	64.9 Å²	64.9	29%	0.286	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-75.4	172.7	179.7	33.2	-36.1	0	0	0	110.5	V146 Q149 P236 R237	P136-V146 HydrophobicContact CG-CG2 3.55Å; P136-Q149 VanDerWaalsContact CD-OE1 3.32Å; P136-P236 HydrophobicContact CG-CG 3.85Å; P136-R237 HydrophobicContact CG-CG 4.35Å
137	R	92.5	Very high	93.8	Very high	197 Å²	197	63.7 Å²	63.7	74%	0.743	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-57.2	146.3	169.3	-173.8	-178.7	175.4	179.7	-1.8	110.5	E139 R237	R137-E139 HydrophobicContact CB-CG 4.43Å; R137-E139 HydrophobicContact CG-CG 4.35Å; R137-E139 PolarHBondContact O-N 2.9Å; R137-R237 PolarHBondContact O-NH2 3.45Å
138	V	89.8	Confident	93.7	Very high	140 Å²	140	64.8 Å²	64.8	85%	0.848	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-65.7	119	170.4	-178.7	0	0	0	0	108.9
139	E	87.5	Confident	93.7	Very high	98 Å²	98	62.4 Å²	62.4	46%	0.458	34%	0.335	S	S	.	.			trans	-148.5	148.8	-178.9	-62.8	176.5	175.5	0	0	108.2	R137 N143 R237	R137-E139 HydrophobicContact CB-CG 4.43Å; R137-E139 HydrophobicContact CG-CG 4.35Å; R137-E139 PolarHBondContact O-N 2.9Å; E139-N143 PolarHBondContact O-ND2 2.79Å; E139-N143 PolarHBondContact O-OD1 2.97Å; E139-R237 PolarHBondContact O-NH2 2.92Å
140	D	83.8	Confident	93.6	Very high	166 Å²	166	65.1 Å²	65.1	89%	0.888	35%	0.348	S	S	*	.	S	Bend	trans	-69.2	156.7	173.3	-66.7	-35	0	0	0	111.1
141	G	87	Confident	93.6	Very high	63 Å²	63	70.5 Å²	70.5	65%	0.649	38%	0.377	S	S	*	.	S	Bend	trans	114.7	-141.6	173.6	0	0	0	0	0	114	N143	G141-N143 PolarHBondContact O-N 2.59Å
142	N	88	Confident	93.6	Very high	97 Å²	97	70.7 Å²	70.7	52%	0.519	38%	0.378	S	S	.	.			trans	-74.5	93.2	-174.7	-174.5	5.6	0	0	0	111.5	F144	N142-F144 WeakPolarHBondContact OD1-CB 3.4Å; N142-F144 PolarHBondContact OD1-N 3.2Å
143	N	92	Very high	93.7	Very high	62 Å²	62	68.4 Å²	68.4	33%	0.332	36%	0.364	S	S	.	.			trans	-100.2	12.4	-179.1	-66.4	-33.3	0	0	0	113.2	E139 G141 G145 V146 A147 R237	E139-N143 PolarHBondContact O-ND2 2.79Å; E139-N143 PolarHBondContact O-OD1 2.97Å; G141-N143 PolarHBondContact O-N 2.59Å; N143-G145 PolarHBondContact O-N 3.2Å; N143-V146 HydrophobicContact CB-CB 4.49Å; N143-V146 WeakPolarHBondContact O-CB 3.18Å; N143-V146 PolarHBondContact O-N 2.84Å; N143-A147 PolarHBondContact O-N 3.37Å; N143-R237 PolarHBondContact OD1-NH1 3.17Å; N143-R237 PolarHBondContact OD1-NH2 3.32Å
144	F	93.4	Very high	93.8	Very high	137 Å²	137	70 Å²	70	60%	0.601	38%	0.379	S	S	*	.	H	α-helix	trans	-57.7	-45.2	-176.6	178.3	-103.2	0	0	0	112.9	N142 V146 A147 I148	N142-F144 WeakPolarHBondContact OD1-CB 3.4Å; N142-F144 PolarHBondContact OD1-N 3.2Å; F144-V146 VanDerWaalsContact C-N 3.29Å; F144-V146 PolarHBondContact O-N 3.36Å; F144-A147 PolarHBondContact O-N 3.07Å; F144-I148 HydrophobicContact CD1-CD1 3.96Å; F144-I148 HydrophobicContact CE1-CD1 3.41Å; F144-I148 VanDerWaalsContact CE1-CD1 3.41Å; F144-I148 HydrophobicContact CE1-CG1 4.41Å; F144-I148 HydrophobicContact CZ-CD1 3.77Å; F144-I148 HydrophobicContact CZ-CG1 4.44Å; F144-I148 PolarHBondContact O-N 3.46Å
145	G	94.9	Very high	93.8	Very high	2 Å²	2	71.4 Å²	71.4	2%	0.021	38%	0.384	C	S	.	.	H	α-helix	trans	-67.2	-29.5	176.5	0	0	0	0	0	113.3	N143 I148 Q149 P236	N143-G145 PolarHBondContact O-N 3.2Å; G145-I148 PolarHBondContact O-N 3.43Å; G145-Q149 PolarHBondContact O-N 3.34Å; G145-P236 WeakPolarHBondContact CA-O 3.13Å
146	V	96.2	Very high	94	Very high	14 Å²	14	68.6 Å²	68.6	9%	0.085	37%	0.37	C	S	.	.	H	α-helix	trans	-70.1	-40.7	175.7	-176.4	0	0	0	0	110.2	M135 P136 N143 F144 I148 Q149 E150 P236	M135-V146 HydrophobicContact CE-CG1 4.19Å; P136-V146 HydrophobicContact CG-CG2 3.55Å; N143-V146 HydrophobicContact CB-CB 4.49Å; N143-V146 WeakPolarHBondContact O-CB 3.18Å; N143-V146 PolarHBondContact O-N 2.84Å; F144-V146 VanDerWaalsContact C-N 3.29Å; F144-V146 PolarHBondContact O-N 3.36Å; V146-I148 VanDerWaalsContact C-N 3.3Å; V146-I148 PolarHBondContact O-N 3.35Å; V146-Q149 WeakPolarHBondContact O-CA 3.23Å; V146-Q149 WeakPolarHBondContact O-CB 3.39Å; V146-Q149 PolarHBondContact O-N 2.97Å; V146-Q149 VanDerWaalsContact O-N 3.08Å; V146-E150 WeakPolarHBondContact O-CG 3.36Å; V146-E150 PolarHBondContact O-N 3.49Å; V146-P236 HydrophobicContact CG2-CB 4.04Å; V146-P236 HydrophobicContact CG2-CG 4.4Å
147	A	95.9	Very high	94.3	Very high	40 Å²	40	72.4 Å²	72.4	33%	0.331	38%	0.379	S	S	.	.	H	α-helix	trans	-59.2	-41.7	173.6	0	0	0	0	0	111.7	N143 F144 Q149 E150 D151	N143-A147 PolarHBondContact O-N 3.37Å; F144-A147 PolarHBondContact O-N 3.07Å; A147-Q149 VanDerWaalsContact C-N 3.34Å; A147-Q149 PolarHBondContact O-N 3.41Å; A147-E150 PolarHBondContact O-N 2.96Å; A147-E150 VanDerWaalsContact O-N 3.17Å; A147-D151 PolarHBondContact O-N 3.06Å
148	I	96	Very high	94.5	Very high	23 Å²	23	66.3 Å²	66.3	12%	0.118	36%	0.364	C	S	.	.	H	α-helix	trans	-60.8	-42.6	173.1	-66.7	169.1	0	0	0	111.4	F144 G145 V146 E150 D151 I152 N229 K232	F144-I148 HydrophobicContact CD1-CD1 3.96Å; F144-I148 HydrophobicContact CE1-CD1 3.41Å; F144-I148 VanDerWaalsContact CE1-CD1 3.41Å; F144-I148 HydrophobicContact CE1-CG1 4.41Å; F144-I148 HydrophobicContact CZ-CD1 3.77Å; F144-I148 HydrophobicContact CZ-CG1 4.44Å; F144-I148 PolarHBondContact O-N 3.46Å; G145-I148 PolarHBondContact O-N 3.43Å; V146-I148 VanDerWaalsContact C-N 3.3Å; V146-I148 PolarHBondContact O-N 3.35Å; I148-E150 VanDerWaalsContact C-N 3.31Å; I148-E150 PolarHBondContact O-N 3.49Å; I148-D151 PolarHBondContact O-N 3.27Å; I148-I152 HydrophobicContact CG2-CD1 3.81Å; I148-I152 HydrophobicContact CG2-CG1 4.49Å; I148-I152 VanDerWaalsContact O-CG1 3.31Å; I148-I152 WeakPolarHBondContact O-CG1 3.34Å; I148-I152 PolarHBondContact O-N 3.31Å; I148-I152 VanDerWaalsContact O-N 3.12Å; I148-N229 HydrophobicContact CG2-CB 4.05Å; I148-K232 HydrophobicContact CD1-CB 4.3Å; I148-K232 HydrophobicContact CD1-CG 4.26Å
149	Q	97.3	Very high	95	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-61.1	-41.3	175.1	-72.6	179.1	-41.6	0	0	111.6	I131 L134 P136 G145 V146 A147 L153 L233 P236	I131-Q149 HydrophobicContact CG2-CB 4.31Å; L134-Q149 PolarHBondContact O-NE2 3.37Å; P136-Q149 VanDerWaalsContact CD-OE1 3.32Å; G145-Q149 PolarHBondContact O-N 3.34Å; V146-Q149 WeakPolarHBondContact O-CA 3.23Å; V146-Q149 WeakPolarHBondContact O-CB 3.39Å; V146-Q149 PolarHBondContact O-N 2.97Å; V146-Q149 VanDerWaalsContact O-N 3.08Å; A147-Q149 VanDerWaalsContact C-N 3.34Å; A147-Q149 PolarHBondContact O-N 3.41Å; Q149-L153 WeakPolarHBondContact O-CB 3.28Å; Q149-L153 PolarHBondContact O-N 2.64Å; Q149-L233 PolarHBondContact NE2-O 3.45Å; Q149-P236 HydrophobicContact CG-CB 4.42Å
150	E	97.5	Very high	95.5	Very high	101 Å²	101	57.4 Å²	57.4	47%	0.472	31%	0.313	S	S	.	.	H	α-helix	trans	-65.8	-41.6	179.2	-71.9	176.4	160.6	0	0	112.3	M135 V146 A147 I148 L153 S154	M135-E150 HydrophobicContact CE-CG 3.69Å; V146-E150 WeakPolarHBondContact O-CG 3.36Å; V146-E150 PolarHBondContact O-N 3.49Å; A147-E150 PolarHBondContact O-N 2.96Å; A147-E150 VanDerWaalsContact O-N 3.17Å; I148-E150 VanDerWaalsContact C-N 3.31Å; I148-E150 PolarHBondContact O-N 3.49Å; E150-L153 PolarHBondContact O-N 3.19Å; E150-S154 PolarHBondContact O-N 3.13Å
151	D	97.9	Very high	96.1	Very high	117 Å²	117	54 Å²	54	63%	0.626	30%	0.298	S	S	*	.	H	α-helix	trans	-62.5	-50	176.9	-72.3	-19.1	0	0	0	111.2	A147 I148 L153 S154 E155	A147-D151 PolarHBondContact O-N 3.06Å; I148-D151 PolarHBondContact O-N 3.27Å; D151-L153 VanDerWaalsContact C-N 3.31Å; D151-L153 PolarHBondContact O-N 3.1Å; D151-S154 WeakPolarHBondContact O-CB 3.46Å; D151-S154 PolarHBondContact O-N 2.94Å; D151-S154 VanDerWaalsContact O-N 3.13Å; D151-E155 PolarHBondContact O-N 3.45Å; D151-E155 VanDerWaalsContact O-N 3.08Å
152	I	98	Very high	96.7	Very high	5 Å²	5	54.6 Å²	54.6	3%	0.026	28%	0.284	C	S	.	.	H	α-helix	trans	-64	-39.7	177.9	-60.9	169.7	0	0	0	110.2	I131 I148 S154 E155 V156 V225 I226 N229 L233	I131-I152 HydrophobicContact CD1-CB 4.47Å; I131-I152 HydrophobicContact CD1-CG2 3.72Å; I148-I152 HydrophobicContact CG2-CD1 3.81Å; I148-I152 HydrophobicContact CG2-CG1 4.49Å; I148-I152 VanDerWaalsContact O-CG1 3.31Å; I148-I152 WeakPolarHBondContact O-CG1 3.34Å; I148-I152 PolarHBondContact O-N 3.31Å; I148-I152 VanDerWaalsContact O-N 3.12Å; I152-S154 VanDerWaalsContact C-N 3.27Å; I152-S154 PolarHBondContact O-N 3.19Å; I152-E155 PolarHBondContact O-N 2.73Å; I152-V156 HydrophobicContact CG2-CG2 4.47Å; I152-V156 VanDerWaalsContact O-CG2 3.3Å; I152-V156 WeakPolarHBondContact O-CG2 3.49Å; I152-V156 PolarHBondContact O-N 3.5Å; I152-V225 HydrophobicContact CD1-CG2 4.32Å; I152-V225 HydrophobicContact CG1-CG2 3.99Å; I152-V225 HydrophobicContact CG2-CG1 4.19Å; I152-I226 HydrophobicContact CG2-CG1 4.1Å; I152-N229 HydrophobicContact CD1-CB 3.8Å; I152-L233 HydrophobicContact CD1-CD1 3.92Å; I152-L233 HydrophobicContact CG2-CD1 4.34Å
153	L	98.4	Very high	97.1	Very high	4 Å²	4	50 Å²	50	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-62.4	-35.8	175.9	-178.9	60	0	0	0	112	R128 I131 V132 M135 Q149 E150 D151 R157	R128-L153 HydrophobicContact CB-CD1 4.5Å; R128-L153 HydrophobicContact CG-CD1 3.65Å; I131-L153 HydrophobicContact CB-CD1 4.29Å; I131-L153 HydrophobicContact CG2-CB 3.98Å; I131-L153 HydrophobicContact CG2-CD1 4.33Å; V132-L153 HydrophobicContact CG2-CD1 4.01Å; V132-L153 HydrophobicContact CG2-CD2 4Å; M135-L153 HydrophobicContact SD-CD2 3.95Å; Q149-L153 WeakPolarHBondContact O-CB 3.28Å; Q149-L153 PolarHBondContact O-N 2.64Å; E150-L153 PolarHBondContact O-N 3.19Å; D151-L153 VanDerWaalsContact C-N 3.31Å; D151-L153 PolarHBondContact O-N 3.1Å; L153-R157 WeakPolarHBondContact O-CG 3.37Å; L153-R157 PolarHBondContact O-N 3.03Å; L153-R157 VanDerWaalsContact O-N 3.09Å
154	S	98.4	Very high	97.3	Very high	65 Å²	65	48.9 Å²	48.9	46%	0.455	26%	0.259	S	S	.	.	H	α-helix	trans	-64.8	-44.5	174.5	-169	0	0	0	0	111.3	E150 D151 I152 V156 R157 T158	E150-S154 PolarHBondContact O-N 3.13Å; D151-S154 WeakPolarHBondContact O-CB 3.46Å; D151-S154 PolarHBondContact O-N 2.94Å; D151-S154 VanDerWaalsContact O-N 3.13Å; I152-S154 VanDerWaalsContact C-N 3.27Å; I152-S154 PolarHBondContact O-N 3.19Å; S154-V156 PolarHBondContact O-N 2.95Å; S154-R157 PolarHBondContact O-N 3.06Å; S154-T158 PolarHBondContact O-N 2.81Å; S154-T158 PolarHBondContact O-OG1 3.16Å
155	E	98.1	Very high	97.5	Very high	65 Å²	65	46 Å²	46	30%	0.304	25%	0.253	S	S	.	.	H	α-helix	trans	-60	-46.3	175.9	-172.7	177.9	167.3	0	0	111.6	D151 I152 R157 T158 V159 L222	D151-E155 PolarHBondContact O-N 3.45Å; D151-E155 VanDerWaalsContact O-N 3.08Å; I152-E155 PolarHBondContact O-N 2.73Å; E155-R157 VanDerWaalsContact C-N 3.29Å; E155-R157 PolarHBondContact O-N 2.92Å; E155-T158 WeakPolarHBondContact O-CB 3.42Å; E155-T158 PolarHBondContact O-N 3.46Å; E155-T158 VanDerWaalsContact O-N 3.13Å; E155-V159 WeakPolarHBondContact O-CG2 3.45Å; E155-V159 PolarHBondContact O-N 3.43Å; E155-L222 HydrophobicContact CG-CD2 4.23Å
156	V	98.6	Very high	97.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.6	-40	176.8	172.8	0	0	0	0	111.7	V124 V127 R128 I131 I152 S154 V159 E160 L222	V124-V156 HydrophobicContact CG1-CG1 3.8Å; V124-V156 VanDerWaalsContact CG1-O 3.29Å; V124-V156 WeakPolarHBondContact CG1-O 3.48Å; V127-V156 HydrophobicContact CB-CG1 4.4Å; V127-V156 HydrophobicContact CG1-CG1 4.22Å; V127-V156 HydrophobicContact CG1-CG2 3.8Å; R128-V156 HydrophobicContact CB-CG1 3.73Å; R128-V156 HydrophobicContact CG-CG1 4.47Å; I131-V156 HydrophobicContact CD1-CG2 3.93Å; I152-V156 HydrophobicContact CG2-CG2 4.47Å; I152-V156 VanDerWaalsContact O-CG2 3.3Å; I152-V156 WeakPolarHBondContact O-CG2 3.49Å; I152-V156 PolarHBondContact O-N 3.5Å; S154-V156 PolarHBondContact O-N 2.95Å; V156-V159 PolarHBondContact O-N 2.92Å; V156-E160 PolarHBondContact O-N 3.16Å; V156-L222 HydrophobicContact CG2-CD2 3.65Å
157	R	98.5	Very high	97.6	Very high	125 Å²	125	48.8 Å²	48.8	47%	0.472	27%	0.265	S	S	.	.	H	α-helix	trans	-66.5	-38.7	176.5	-74.9	169.7	176.9	149.1	-0.4	112.5	L153 S154 E155 E160 V161	L153-R157 WeakPolarHBondContact O-CG 3.37Å; L153-R157 PolarHBondContact O-N 3.03Å; L153-R157 VanDerWaalsContact O-N 3.09Å; S154-R157 PolarHBondContact O-N 3.06Å; E155-R157 VanDerWaalsContact C-N 3.29Å; E155-R157 PolarHBondContact O-N 2.92Å; R157-E160 WeakPolarHBondContact O-CB 3.33Å; R157-E160 PolarHBondContact O-N 3.38Å; R157-V161 WeakPolarHBondContact O-CG2 3.48Å; R157-V161 PolarHBondContact O-N 2.94Å
158	T	98.4	Very high	97.6	Very high	69 Å²	69	52.2 Å²	52.2	42%	0.423	28%	0.278	S	S	.	.	H	α-helix	trans	-59.8	-49.1	174.4	-60.8	0	0	0	0	110.3	S154 E155 E160 V161 E162	S154-T158 PolarHBondContact O-N 2.81Å; S154-T158 PolarHBondContact O-OG1 3.16Å; E155-T158 WeakPolarHBondContact O-CB 3.42Å; E155-T158 PolarHBondContact O-N 3.46Å; E155-T158 VanDerWaalsContact O-N 3.13Å; T158-E160 VanDerWaalsContact C-N 3.3Å; T158-E160 PolarHBondContact O-N 3.32Å; T158-V161 PolarHBondContact O-N 3.19Å; T158-E162 WeakPolarHBondContact O-CG 3.47Å; T158-E162 PolarHBondContact O-N 3.48Å
159	V	98.4	Very high	97.6	Very high	6 Å²	6	52.7 Å²	52.7	4%	0.036	28%	0.283	C	S	.	.	H	α-helix	trans	-59.9	-39.8	176.9	176.7	0	0	0	0	111.6	V124 E155 V156 V161 E162 V163 H218 L222	V124-V159 HydrophobicContact CG1-CB 4.34Å; V124-V159 HydrophobicContact CG1-CG1 4.23Å; V124-V159 HydrophobicContact CG2-CG1 3.74Å; E155-V159 WeakPolarHBondContact O-CG2 3.45Å; E155-V159 PolarHBondContact O-N 3.43Å; V156-V159 PolarHBondContact O-N 2.92Å; V159-V161 VanDerWaalsContact C-N 3.31Å; V159-V161 PolarHBondContact O-N 3.25Å; V159-E162 PolarHBondContact O-N 3.24Å; V159-V163 HydrophobicContact CG1-CG2 4.02Å; V159-V163 VanDerWaalsContact O-CG2 3.3Å; V159-V163 WeakPolarHBondContact O-CG2 3.46Å; V159-V163 PolarHBondContact O-N 3.48Å; V159-H218 HydrophobicContact CG1-CB 3.74Å; V159-H218 HydrophobicContact CG2-CB 4.24Å; V159-L222 HydrophobicContact CB-CD1 4.45Å; V159-L222 HydrophobicContact CG1-CD1 4.2Å; V159-L222 HydrophobicContact CG2-CD1 4.36Å; V159-L222 HydrophobicContact CG2-CD2 4.47Å; V159-L222 HydrophobicContact CG2-CG 4.46Å
160	E	97.9	Very high	97.5	Very high	44 Å²	44	53 Å²	53	21%	0.206	29%	0.285	C	S	.	.	H	α-helix	trans	-57.9	-44	177.8	-171.9	176.3	-177	0	0	111.5	V124 I125 R128 V156 R157 T158 A164	V124-E160 HydrophobicContact CG1-CB 3.74Å; V124-E160 HydrophobicContact CG1-CG 4.46Å; I125-E160 HydrophobicContact CG1-CG 4.35Å; I125-E160 WeakPolarHBondContact CG1-OE1 3.29Å; R128-E160 WeakPolarHBondContact CD-OE2 3.48Å; R128-E160 IonicContact CZ-OE1 3.9Å; R128-E160 IonicContact CZ-OE2 3.61Å; R128-E160 IonicContact NE-OE1 2.88Å; R128-E160 PolarHBondContact NE-OE1 3.38Å; R128-E160 IonicContact NE-OE2 2.81Å; R128-E160 PolarHBondContact NE-OE2 3.26Å; R128-E160 IonicContact NH2-OE1 3.3Å; R128-E160 PolarHBondContact NH2-OE1 3Å; V156-E160 PolarHBondContact O-N 3.16Å; R157-E160 WeakPolarHBondContact O-CB 3.33Å; R157-E160 PolarHBondContact O-N 3.38Å; T158-E160 VanDerWaalsContact C-N 3.3Å; T158-E160 PolarHBondContact O-N 3.32Å; E160-A164 WeakPolarHBondContact O-CB 3.27Å; E160-A164 PolarHBondContact O-N 3.04Å; E160-A164 VanDerWaalsContact O-N 3.16Å
161	V	98.1	Very high	97.4	Very high	94 Å²	94	51.5 Å²	51.5	57%	0.57	28%	0.282	S	S	*	.	H	α-helix	trans	-69.1	-42.3	178.4	174.7	0	0	0	0	111.5	R157 T158 V159 A164 T165	R157-V161 WeakPolarHBondContact O-CG2 3.48Å; R157-V161 PolarHBondContact O-N 2.94Å; T158-V161 PolarHBondContact O-N 3.19Å; V159-V161 VanDerWaalsContact C-N 3.31Å; V159-V161 PolarHBondContact O-N 3.25Å; V161-A164 PolarHBondContact O-N 3.06Å; V161-T165 WeakPolarHBondContact O-CB 3.43Å; V161-T165 PolarHBondContact O-N 3.13Å; V161-T165 PolarHBondContact O-OG1 3.33Å
162	E	97.9	Very high	97.3	Very high	76 Å²	76	51 Å²	51	36%	0.355	28%	0.276	S	S	.	.	H	α-helix	trans	-64.2	-47.7	-179.6	-72.8	173.9	165.4	0	0	111.5	T158 V159 A164 T165 F166 H218	T158-E162 WeakPolarHBondContact O-CG 3.47Å; T158-E162 PolarHBondContact O-N 3.48Å; V159-E162 PolarHBondContact O-N 3.24Å; E162-A164 VanDerWaalsContact C-N 3.33Å; E162-A164 PolarHBondContact O-N 3.32Å; E162-T165 WeakPolarHBondContact O-CB 3.46Å; E162-T165 PolarHBondContact O-N 2.77Å; E162-T165 VanDerWaalsContact O-N 3.12Å; E162-F166 WeakPolarHBondContact O-CG 3.48Å; E162-F166 PolarHBondContact O-N 3.5Å; E162-H218 IonicContact OE2-CE1 3.5Å; E162-H218 PolarHBondContact OE2-CE1 3.3Å; E162-H218 IonicContact OE2-ND1 3.48Å; E162-H218 IonicContact OE2-NE2 3Å; E162-H218 PolarHBondContact OE2-NE2 2.88Å
163	V	97.5	Very high	97.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.8	-38.9	178	178.7	0	0	0	0	111.5	L117 A120 V121 V159 T165 F166 L167 L215	L117-V163 HydrophobicContact CD2-CG1 4.11Å; A120-V163 HydrophobicContact CB-CG1 3.77Å; A120-V163 HydrophobicContact CB-CG2 4.47Å; V121-V163 HydrophobicContact CG2-CB 4.36Å; V121-V163 HydrophobicContact CG2-CG1 3.55Å; V159-V163 HydrophobicContact CG1-CG2 4.02Å; V159-V163 VanDerWaalsContact O-CG2 3.3Å; V159-V163 WeakPolarHBondContact O-CG2 3.46Å; V159-V163 PolarHBondContact O-N 3.48Å; V163-T165 VanDerWaalsContact C-N 3.33Å; V163-F166 PolarHBondContact O-N 3.09Å; V163-L167 PolarHBondContact O-N 3.42Å; V163-L215 HydrophobicContact CG2-CD1 4.5Å
164	A	96.2	Very high	97.2	Very high	39 Å²	39	55.1 Å²	55.1	32%	0.322	30%	0.297	S	S	.	.	H	α-helix	trans	-62.1	-42.3	173.8	0	0	0	0	0	111.6	E160 V161 E162 F166 L167 D168	E160-A164 WeakPolarHBondContact O-CB 3.27Å; E160-A164 PolarHBondContact O-N 3.04Å; E160-A164 VanDerWaalsContact O-N 3.16Å; V161-A164 PolarHBondContact O-N 3.06Å; E162-A164 VanDerWaalsContact C-N 3.33Å; E162-A164 PolarHBondContact O-N 3.32Å; A164-F166 VanDerWaalsContact C-N 3.27Å; A164-F166 PolarHBondContact O-N 2.97Å; A164-L167 WeakPolarHBondContact O-CB 3.44Å; A164-L167 PolarHBondContact O-N 3.21Å; A164-D168 PolarHBondContact O-N 3.39Å
165	T	97.7	Very high	97.1	Very high	77 Å²	77	57.6 Å²	57.6	47%	0.472	31%	0.305	S	S	.	.	H	α-helix	trans	-61.8	-35.2	177.2	-56.9	0	0	0	0	111.9	V161 E162 V163 L167 D168 S169	V161-T165 WeakPolarHBondContact O-CB 3.43Å; V161-T165 PolarHBondContact O-N 3.13Å; V161-T165 PolarHBondContact O-OG1 3.33Å; E162-T165 WeakPolarHBondContact O-CB 3.46Å; E162-T165 PolarHBondContact O-N 2.77Å; E162-T165 VanDerWaalsContact O-N 3.12Å; V163-T165 VanDerWaalsContact C-N 3.33Å; T165-L167 VanDerWaalsContact C-N 3.32Å; T165-L167 PolarHBondContact O-N 3.46Å; T165-D168 PolarHBondContact O-N 3.06Å; T165-S169 PolarHBondContact O-N 2.97Å
166	F	97.5	Very high	97	Very high	38 Å²	38	57.6 Å²	57.6	17%	0.167	31%	0.305	C	S	.	.	H	α-helix	trans	-66.4	-29.7	174.3	-59.2	-28.2	0	0	0	113.5	L117 E162 V163 A164 S169 V211 E214	L117-F166 HydrophobicContact CD1-CB 3.92Å; L117-F166 HydrophobicContact CD2-CB 3.72Å; L117-F166 HydrophobicContact CD2-CD2 3.93Å; L117-F166 HydrophobicContact CD2-CG 4.33Å; L117-F166 HydrophobicContact CG-CB 4.48Å; E162-F166 WeakPolarHBondContact O-CG 3.48Å; E162-F166 PolarHBondContact O-N 3.5Å; V163-F166 PolarHBondContact O-N 3.09Å; A164-F166 VanDerWaalsContact C-N 3.27Å; A164-F166 PolarHBondContact O-N 2.97Å; F166-S169 PolarHBondContact O-OG 3.28Å; F166-V211 HydrophobicContact CB-CG1 3.99Å; F166-V211 HydrophobicContact CB-CG2 4.1Å; F166-V211 HydrophobicContact CD1-CG2 3.68Å; F166-V211 HydrophobicContact CD2-CG1 3.88Å; F166-V211 HydrophobicContact CD2-CG2 4.28Å; F166-V211 HydrophobicContact CE1-CG2 4.12Å; F166-V211 HydrophobicContact CG-CB 4.43Å; F166-V211 HydrophobicContact CG-CG1 3.96Å; F166-V211 HydrophobicContact CG-CG2 3.77Å; F166-E214 HydrophobicContact CE2-CB 3.98Å; F166-E214 HydrophobicContact CZ-CB 3.9Å; F166-E214 HydrophobicContact CZ-CG 4.25Å
167	L	94.9	Very high	96.9	Very high	36 Å²	36	58.2 Å²	58.2	19%	0.188	31%	0.307	C	S	.	.	H	α-helix	trans	-70.5	-37.3	173.1	-75	170.4	0	0	0	111.6	K114 L117 R118 V121 V163 A164 T165	K114-L167 HydrophobicContact CG-CD2 4.35Å; L117-L167 HydrophobicContact CB-CD2 3.55Å; L117-L167 HydrophobicContact CB-CG 3.93Å; L117-L167 HydrophobicContact CD1-CD2 4.03Å; L117-L167 HydrophobicContact CD1-CG 4.36Å; L117-L167 HydrophobicContact CG-CD2 4.47Å; R118-L167 HydrophobicContact CG-CD2 4.2Å; V121-L167 HydrophobicContact CG2-CD1 3.74Å; V163-L167 PolarHBondContact O-N 3.42Å; A164-L167 WeakPolarHBondContact O-CB 3.44Å; A164-L167 PolarHBondContact O-N 3.21Å; T165-L167 VanDerWaalsContact C-N 3.32Å; T165-L167 PolarHBondContact O-N 3.46Å
168	D	95.6	Very high	96.7	Very high	113 Å²	113	53.9 Å²	53.9	60%	0.604	30%	0.302	S	S	*	.	H	α-helix	trans	-69.3	-36.9	177.9	-70.3	-22.8	0	0	0	111.8	A164 T165 I170 T171 H172	A164-D168 PolarHBondContact O-N 3.39Å; T165-D168 PolarHBondContact O-N 3.06Å; D168-I170 VanDerWaalsContact C-N 3.29Å; D168-I170 PolarHBondContact O-N 3.43Å; D168-T171 PolarHBondContact O-N 3.26Å; D168-H172 PolarHBondContact O-N 3.44Å
169	S	96.3	Very high	96.4	Very high	33 Å²	33	58 Å²	58	23%	0.231	31%	0.31	C	S	.	.	H	α-helix	trans	-60.8	-35.9	179.4	73.2	0	0	0	0	112.9	T165 F166 T171 H172 Y173	T165-S169 PolarHBondContact O-N 2.97Å; F166-S169 PolarHBondContact O-OG 3.28Å; S169-T171 VanDerWaalsContact C-N 3.29Å; S169-T171 PolarHBondContact O-N 3.17Å; S169-H172 WeakPolarHBondContact O-CB 3.19Å; S169-H172 PolarHBondContact O-N 3.01Å; S169-H172 VanDerWaalsContact O-N 3.15Å; S169-Y173 PolarHBondContact O-N 2.86Å
170	I	95.5	Very high	96.1	Very high	6 Å²	6	59.7 Å²	59.7	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-58.2	-44.1	174.5	-68	169.8	0	0	0	110.9	I110 K114 L117 D168 L174	I110-I170 HydrophobicContact CD1-CG2 4.32Å; I110-I170 HydrophobicContact CG1-CG2 4.4Å; I110-I170 HydrophobicContact CG2-CD1 4.4Å; I110-I170 HydrophobicContact CG2-CG2 3.55Å; K114-I170 HydrophobicContact CB-CD1 4.09Å; K114-I170 HydrophobicContact CG-CD1 4.28Å; L117-I170 HydrophobicContact CD1-CD1 3.82Å; D168-I170 VanDerWaalsContact C-N 3.29Å; D168-I170 PolarHBondContact O-N 3.43Å; I170-L174 PolarHBondContact O-N 3.22Å
171	T	95.7	Very high	95.8	Very high	69 Å²	69	58.2 Å²	58.2	42%	0.423	31%	0.313	S	S	.	.	H	α-helix	trans	-70.3	-39.4	178.8	-55.6	0	0	0	0	110.3	D168 S169 Y173 L174 L175	D168-T171 PolarHBondContact O-N 3.26Å; S169-T171 VanDerWaalsContact C-N 3.29Å; S169-T171 PolarHBondContact O-N 3.17Å; T171-Y173 PolarHBondContact O-N 3Å; T171-L174 PolarHBondContact O-N 3.38Å; T171-L175 HydrophobicContact CG2-CD1 4.17Å; T171-L175 WeakPolarHBondContact O-CG 3.49Å; T171-L175 PolarHBondContact O-N 3.34Å; T171-L175 VanDerWaalsContact O-N 3.11Å
172	H	96.4	Very high	95.4	Very high	107 Å²	107	56.8 Å²	56.8	50%	0.495	31%	0.306	S	S	.	.	H	α-helix	trans	-57.7	-47.5	176.8	-175.2	80.6	0	0	0	112	D168 S169 L174 L175 Q176	D168-H172 PolarHBondContact O-N 3.44Å; S169-H172 WeakPolarHBondContact O-CB 3.19Å; S169-H172 PolarHBondContact O-N 3.01Å; S169-H172 VanDerWaalsContact O-N 3.15Å; H172-L174 PolarHBondContact O-N 3.46Å; H172-L175 PolarHBondContact O-N 3.49Å; H172-Q176 PolarHBondContact CE1-NE2 2.86Å; H172-Q176 VanDerWaalsContact CE1-NE2 3.33Å; H172-Q176 VanDerWaalsContact NE2-CG 3.32Å; H172-Q176 WeakPolarHBondContact NE2-CG 3.47Å; H172-Q176 WeakPolarHBondContact O-CG 3.43Å; H172-Q176 PolarHBondContact O-N 3.1Å
173	Y	97.6	Very high	95	Very high	7 Å²	7	53.7 Å²	53.7	3%	0.027	29%	0.293	C	S	.	.	H	α-helix	trans	-56.1	-47.2	176.8	161.1	-106.9	0	0	0	112.4	N103 L106 I110 S169 T171 L175 Q176 R177 L200 D201 E204	N103-Y173 WeakPolarHBondContact CB-OH 3.47Å; L106-Y173 HydrophobicContact CB-CE1 4.35Å; L106-Y173 HydrophobicContact CD1-CE1 4.27Å; L106-Y173 HydrophobicContact CD1-CE2 4.04Å; L106-Y173 WeakPolarHBondContact CD1-OH 3.31Å; I110-Y173 HydrophobicContact CD1-CD1 4.07Å; I110-Y173 HydrophobicContact CD1-CE1 4.17Å; S169-Y173 PolarHBondContact O-N 2.86Å; T171-Y173 PolarHBondContact O-N 3Å; Y173-L175 VanDerWaalsContact C-N 3.31Å; Y173-L175 PolarHBondContact O-N 3.09Å; Y173-Q176 PolarHBondContact O-N 2.98Å; Y173-R177 HydrophobicContact CE2-CB 4.32Å; Y173-R177 WeakPolarHBondContact O-CB 3.34Å; Y173-R177 PolarHBondContact O-N 3.38Å; Y173-R177 VanDerWaalsContact OH-CD 3.27Å; Y173-R177 WeakPolarHBondContact OH-CD 3.16Å; Y173-L200 HydrophobicContact CD2-CD1 4.38Å; Y173-L200 HydrophobicContact CD2-CD2 4.29Å; Y173-L200 HydrophobicContact CD2-CG 4.04Å; Y173-L200 HydrophobicContact CE2-CD2 4.38Å; Y173-L200 HydrophobicContact CE2-CG 4.14Å; Y173-D201 PolarHBondContact OH-OD1 3.03Å; Y173-D201 VanDerWaalsContact OH-OD1 3.07Å; Y173-E204 VanDerWaalsContact CB-CD 3.5Å; Y173-E204 WeakPolarHBondContact CB-OE2 3.22Å; Y173-E204 HydrophobicContact CD1-CG 3.77Å; Y173-E204 HydrophobicContact CD2-CB 3.51Å; Y173-E204 HydrophobicContact CD2-CG 3.52Å; Y173-E204 HydrophobicContact CE1-CG 4.04Å; Y173-E204 HydrophobicContact CE2-CB 3.68Å; Y173-E204 HydrophobicContact CE2-CG 3.82Å; Y173-E204 HydrophobicContact CG-CB 4.04Å; Y173-E204 VanDerWaalsContact CG-CD 3.46Å; Y173-E204 HydrophobicContact CG-CG 3.5Å
174	L	96	Very high	94.6	Very high	88 Å²	88	55 Å²	55	46%	0.461	30%	0.298	S	S	.	.	H	α-helix	trans	-60.7	-41.3	179.4	-66.4	174.6	0	0	0	112	I170 T171 H172 G178	I170-L174 PolarHBondContact O-N 3.22Å; T171-L174 PolarHBondContact O-N 3.38Å; H172-L174 PolarHBondContact O-N 3.46Å; L174-G178 PolarHBondContact O-N 2.84Å; L174-G178 VanDerWaalsContact O-N 3.14Å
175	L	96.3	Very high	94.1	Very high	117 Å²	117	53.3 Å²	53.3	61%	0.613	28%	0.284	S	S	*	.	H	α-helix	trans	-68	-45.8	177.3	-68.3	173.9	0	0	0	111.8	T171 H172 Y173 G178 Y179	T171-L175 HydrophobicContact CG2-CD1 4.17Å; T171-L175 WeakPolarHBondContact O-CG 3.49Å; T171-L175 PolarHBondContact O-N 3.34Å; T171-L175 VanDerWaalsContact O-N 3.11Å; H172-L175 PolarHBondContact O-N 3.49Å; Y173-L175 VanDerWaalsContact C-N 3.31Å; Y173-L175 PolarHBondContact O-N 3.09Å; L175-G178 PolarHBondContact O-N 3.11Å; L175-Y179 WeakPolarHBondContact O-CB 3.3Å; L175-Y179 PolarHBondContact O-N 2.69Å
176	Q	96.6	Very high	93.5	Very high	65 Å²	65	55.4 Å²	55.4	30%	0.304	29%	0.287	S	S	.	.	H	α-helix	trans	-63.2	-43.8	179.2	-70.9	-53	-38.4	0	0	111.8	H172 Y173 G178 Y179 M180 L200	H172-Q176 PolarHBondContact CE1-NE2 2.86Å; H172-Q176 VanDerWaalsContact CE1-NE2 3.33Å; H172-Q176 VanDerWaalsContact NE2-CG 3.32Å; H172-Q176 WeakPolarHBondContact NE2-CG 3.47Å; H172-Q176 WeakPolarHBondContact O-CG 3.43Å; H172-Q176 PolarHBondContact O-N 3.1Å; Y173-Q176 PolarHBondContact O-N 2.98Å; Q176-G178 PolarHBondContact O-N 3.24Å; Q176-Y179 WeakPolarHBondContact O-CB 3.36Å; Q176-Y179 PolarHBondContact O-N 2.95Å; Q176-M180 WeakPolarHBondContact O-CG 3.26Å; Q176-M180 PolarHBondContact O-N 3Å; Q176-L200 HydrophobicContact CB-CD1 4.45Å; Q176-L200 HydrophobicContact CB-CD2 3.89Å
177	R	96	Very high	93	Very high	13 Å²	13	57.9 Å²	57.9	5%	0.049	30%	0.298	C	S	.	.	H	α-helix	trans	-61.8	-45.1	177.3	-169.1	177.2	-167.4	-85.4	-1.5	111.3	E58 P101 Y173 Y179 M180 V181 I197 L200 D201	E58-R177 PolarHBondContact O-NH2 3.41Å; P101-R177 PolarHBondContact O-NH1 3Å; P101-R177 VanDerWaalsContact O-NH1 3.12Å; Y173-R177 HydrophobicContact CE2-CB 4.32Å; Y173-R177 WeakPolarHBondContact O-CB 3.34Å; Y173-R177 PolarHBondContact O-N 3.38Å; Y173-R177 VanDerWaalsContact OH-CD 3.27Å; Y173-R177 WeakPolarHBondContact OH-CD 3.16Å; R177-Y179 VanDerWaalsContact C-N 3.35Å; R177-Y179 PolarHBondContact O-N 2.94Å; R177-M180 PolarHBondContact O-N 2.9Å; R177-V181 VanDerWaalsContact O-CG2 3.28Å; R177-V181 WeakPolarHBondContact O-CG2 3.4Å; R177-V181 PolarHBondContact O-N 2.98Å; R177-I197 HydrophobicContact CG-CG2 4.47Å; R177-L200 HydrophobicContact CB-CD2 3.81Å; R177-L200 HydrophobicContact CG-CD2 4.44Å; R177-D201 WeakPolarHBondContact CD-OD1 3.4Å; R177-D201 IonicContact CZ-OD1 2.73Å; R177-D201 IonicContact CZ-OD2 3.36Å; R177-D201 IonicContact NE-OD1 2.92Å; R177-D201 PolarHBondContact NE-OD1 3.2Å; R177-D201 IonicContact NE-OD2 3.52Å; R177-D201 IonicContact NH2-OD1 3.5Å; R177-D201 IonicContact NH2-OD2 3.34Å; R177-D201 PolarHBondContact NH2-OD2 3.43Å
178	G	93.4	Very high	92.6	Very high	35 Å²	35	59.3 Å²	59.3	36%	0.361	31%	0.309	S	S	.	.	H	α-helix	trans	-58.9	-45.4	174.7	0	0	0	0	0	112.4	L174 L175 Q176 M180 V181 C182	L174-G178 PolarHBondContact O-N 2.84Å; L174-G178 VanDerWaalsContact O-N 3.14Å; L175-G178 PolarHBondContact O-N 3.11Å; Q176-G178 PolarHBondContact O-N 3.24Å; G178-M180 PolarHBondContact O-N 3.34Å; G178-V181 PolarHBondContact O-N 3.43Å; G178-C182 PolarHBondContact O-N 2.99Å; G178-C182 PolarHBondContact O-SG 2.97Å; G178-C182 VanDerWaalsContact O-SG 3.36Å
179	Y	92.9	Very high	92.3	Very high	154 Å²	154	61.4 Å²	61.4	60%	0.604	32%	0.315	S	S	*	.	H	α-helix	trans	-60.8	-43.1	176.9	174.5	-98.8	0	0	0	112.8	L175 Q176 R177 C182 S183	L175-Y179 WeakPolarHBondContact O-CB 3.3Å; L175-Y179 PolarHBondContact O-N 2.69Å; Q176-Y179 WeakPolarHBondContact O-CB 3.36Å; Q176-Y179 PolarHBondContact O-N 2.95Å; R177-Y179 VanDerWaalsContact C-N 3.35Å; R177-Y179 PolarHBondContact O-N 2.94Å; Y179-C182 PolarHBondContact O-N 3.11Å; Y179-S183 WeakPolarHBondContact O-CB 3.42Å; Y179-S183 PolarHBondContact O-N 3.21Å; Y179-S183 PolarHBondContact O-OG 3.44Å
180	M	93.1	Very high	92.1	Very high	42 Å²	42	62.1 Å²	62.1	21%	0.207	32%	0.318	C	S	.	.	H	α-helix	trans	-65.8	-42.3	176.9	-72.6	-174.5	158.4	0	0	112	Q176 R177 G178 C182 S183 Y184 S196 I197 L200	Q176-M180 WeakPolarHBondContact O-CG 3.26Å; Q176-M180 PolarHBondContact O-N 3Å; R177-M180 PolarHBondContact O-N 2.9Å; G178-M180 PolarHBondContact O-N 3.34Å; M180-C182 VanDerWaalsContact C-N 3.34Å; M180-C182 PolarHBondContact O-N 3.39Å; M180-S183 WeakPolarHBondContact O-CB 3.24Å; M180-S183 PolarHBondContact O-N 2.93Å; M180-S183 VanDerWaalsContact O-N 3.14Å; M180-Y184 PolarHBondContact O-N 3.03Å; M180-S196 WeakPolarHBondContact CE-OG 3.43Å; M180-S196 VanDerWaalsContact SD-O 3.36Å; M180-S196 PolarHBondContact SD-OG 3.26Å; M180-S196 VanDerWaalsContact SD-OG 3.34Å; M180-I197 HydrophobicContact CB-CD1 4.43Å; M180-I197 HydrophobicContact CB-CG1 3.62Å; M180-I197 HydrophobicContact SD-CG1 4.48Å; M180-L200 HydrophobicContact SD-CB 4.03Å; M180-L200 HydrophobicContact SD-CD2 3.77Å; M180-L200 HydrophobicContact SD-CG 4.48Å
181	V	91.6	Very high	92	Very high	13 Å²	13	67.8 Å²	67.8	8%	0.079	34%	0.344	C	S	.	.	H	α-helix	trans	-58.2	-46	173.8	168.1	0	0	0	0	111	V60 I62 V100 R177 G178 S183 Y184 A185 I197	V60-V181 HydrophobicContact CG1-CG2 4.34Å; V60-V181 HydrophobicContact CG2-CG2 4.36Å; I62-V181 HydrophobicContact CD1-CG1 3.83Å; V100-V181 HydrophobicContact CB-CG1 4.26Å; V100-V181 HydrophobicContact CG1-CG1 3.94Å; V100-V181 HydrophobicContact CG1-CG2 4.42Å; V100-V181 HydrophobicContact CG2-CG1 4.19Å; R177-V181 VanDerWaalsContact O-CG2 3.28Å; R177-V181 WeakPolarHBondContact O-CG2 3.4Å; R177-V181 PolarHBondContact O-N 2.98Å; G178-V181 PolarHBondContact O-N 3.43Å; V181-S183 VanDerWaalsContact C-N 3.32Å; V181-S183 PolarHBondContact O-N 3.3Å; V181-Y184 PolarHBondContact O-N 3.43Å; V181-A185 WeakPolarHBondContact O-CB 3.46Å; V181-A185 PolarHBondContact O-N 2.86Å; V181-I197 HydrophobicContact CG2-CD1 3.93Å; V181-I197 HydrophobicContact CG2-CG1 4.47Å
182	C	88.1	Confident	92	Very high	65 Å²	65	70.1 Å²	70.1	44%	0.439	35%	0.354	S	S	.	.	H	α-helix	trans	-64.1	-37.2	175.8	-69.6	0	0	0	0	112.5	G178 Y179 M180 A185 K186	G178-C182 PolarHBondContact O-N 2.99Å; G178-C182 PolarHBondContact O-SG 2.97Å; G178-C182 VanDerWaalsContact O-SG 3.36Å; Y179-C182 PolarHBondContact O-N 3.11Å; M180-C182 VanDerWaalsContact C-N 3.34Å; M180-C182 PolarHBondContact O-N 3.39Å; C182-A185 PolarHBondContact O-N 3.44Å; C182-K186 WeakPolarHBondContact O-CG 3.45Å; C182-K186 PolarHBondContact O-N 3.39Å; C182-K186 VanDerWaalsContact O-N 3.1Å
183	S	89.4	Confident	91.9	Very high	10 Å²	10	68 Å²	68	7%	0.07	34%	0.342	C	S	.	.	H	α-helix	trans	-66.5	-43.6	177.6	-62.6	0	0	0	0	111.5	Y179 M180 V181 K186 K187	Y179-S183 WeakPolarHBondContact O-CB 3.42Å; Y179-S183 PolarHBondContact O-N 3.21Å; Y179-S183 PolarHBondContact O-OG 3.44Å; M180-S183 WeakPolarHBondContact O-CB 3.24Å; M180-S183 PolarHBondContact O-N 2.93Å; M180-S183 VanDerWaalsContact O-N 3.14Å; V181-S183 VanDerWaalsContact C-N 3.32Å; V181-S183 PolarHBondContact O-N 3.3Å; S183-K186 PolarHBondContact O-N 3.1Å; S183-K187 PolarHBondContact O-N 2.98Å
184	Y	90.5	Very high	91.6	Very high	27 Å²	27	71.5 Å²	71.5	11%	0.106	36%	0.357	C	S	.	.	H	α-helix	trans	-61	-45.9	174.2	177.5	-144.3	0	0	0	111.6	I62 M180 V181 K186 K187 P188 K194 I197	I62-Y184 HydrophobicContact CB-CD1 4.48Å; I62-Y184 HydrophobicContact CB-CE1 4.28Å; I62-Y184 HydrophobicContact CD1-CD1 3.55Å; I62-Y184 HydrophobicContact CD1-CE1 4.14Å; I62-Y184 HydrophobicContact CD1-CG 4.3Å; I62-Y184 HydrophobicContact CG1-CD1 3.88Å; I62-Y184 HydrophobicContact CG1-CE1 3.93Å; M180-Y184 PolarHBondContact O-N 3.03Å; V181-Y184 PolarHBondContact O-N 3.43Å; Y184-K186 VanDerWaalsContact C-N 3.3Å; Y184-K186 PolarHBondContact O-N 3.09Å; Y184-K187 CarbonylContact O-C 3.59Å; Y184-K187 VanDerWaalsContact O-C 3.24Å; Y184-K187 PolarHBondContact O-N 3.37Å; Y184-P188 HydrophobicContact CE2-CB 4.42Å; Y184-P188 WeakPolarHBondContact O-CA 3.35Å; Y184-P188 VanDerWaalsContact O-N 3.1Å; Y184-K194 HydrophobicContact CD1-CB 4.41Å; Y184-K194 HydrophobicContact CD2-CB 4.14Å; Y184-K194 HydrophobicContact CE1-CB 4.2Å; Y184-K194 HydrophobicContact CE1-CD 4.5Å; Y184-K194 HydrophobicContact CE1-CG 4.11Å; Y184-K194 HydrophobicContact CE2-CB 3.93Å; Y184-K194 HydrophobicContact CE2-CG 4.49Å; Y184-K194 HydrophobicContact CG-CB 4.39Å; Y184-I197 HydrophobicContact CD1-CD1 4.28Å
185	A	85.3	Confident	91.5	Very high	5 Å²	5	73.5 Å²	73.5	4%	0.041	36%	0.36	C	S	.	.	H	α-helix	trans	-59.1	-38.7	177	0	0	0	0	0	113.4	I62 F95 V181 C182	I62-A185 HydrophobicContact CD1-CB 4.07Å; I62-A185 HydrophobicContact CG2-CB 4.09Å; F95-A185 HydrophobicContact CE1-CB 3.72Å; F95-A185 HydrophobicContact CZ-CB 3.97Å; V181-A185 WeakPolarHBondContact O-CB 3.46Å; V181-A185 PolarHBondContact O-N 2.86Å; C182-A185 PolarHBondContact O-N 3.44Å
186	K	84.3	Confident	91.5	Very high	121 Å²	121	69.2 Å²	69.2	53%	0.526	34%	0.34	S	S	.	.	H	α-helix	trans	-75.7	-28	178.9	-73.5	174.3	179.3	-180	0	113.1	F93 C182 S183 Y184	F93-K186 HydrophobicContact CE2-CD 4.32Å; F93-K186 HydrophobicContact CE2-CG 3.7Å; F93-K186 HydrophobicContact CZ-CG 3.78Å; C182-K186 WeakPolarHBondContact O-CG 3.45Å; C182-K186 PolarHBondContact O-N 3.39Å; C182-K186 VanDerWaalsContact O-N 3.1Å; S183-K186 PolarHBondContact O-N 3.1Å; Y184-K186 VanDerWaalsContact C-N 3.3Å; Y184-K186 PolarHBondContact O-N 3.09Å
187	K	87.1	Confident	91.5	Very high	90 Å²	90	66.2 Å²	66.2	39%	0.391	33%	0.326	S	S	.	.			trans	-135.8	63	-173.7	-61.6	168.7	-172.4	151.5	0	110.7	S183 Y184 H189 V190 Y193	S183-K187 PolarHBondContact O-N 2.98Å; Y184-K187 CarbonylContact O-C 3.59Å; Y184-K187 VanDerWaalsContact O-C 3.24Å; Y184-K187 PolarHBondContact O-N 3.37Å; K187-H189 PolarHBondContact O-N 3.27Å; K187-H189 VanDerWaalsContact O-N 3.12Å; K187-V190 HydrophobicContact CB-CB 4.49Å; K187-V190 HydrophobicContact CB-CG2 4.28Å; K187-V190 PolarHBondContact O-N 2.88Å; K187-Y193 HydrophobicContact CB-CD2 4.06Å; K187-Y193 HydrophobicContact CB-CE2 3.8Å; K187-Y193 HydrophobicContact CD-CE2 3.51Å; K187-Y193 HydrophobicContact CG-CE2 4.31Å; K187-Y193 PolarHBondContact NZ-OH 3.08Å
188	P	87.4	Confident	91.5	Very high	66 Å²	66	67.1 Å²	67.1	43%	0.429	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-17.3	-174.6	26.5	-35.6	0	0	0	113.7	Y184 V190	Y184-P188 HydrophobicContact CE2-CB 4.42Å; Y184-P188 WeakPolarHBondContact O-CA 3.35Å; Y184-P188 VanDerWaalsContact O-N 3.1Å; P188-V190 VanDerWaalsContact C-N 3.26Å; P188-V190 PolarHBondContact O-N 3.29Å
189	H	89.3	Confident	91.6	Very high	157 Å²	157	70.1 Å²	70.1	73%	0.727	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-5.4	175.2	58.2	-89.2	0	0	0	113.8	K187	K187-H189 PolarHBondContact O-N 3.27Å; K187-H189 VanDerWaalsContact O-N 3.12Å
190	V	92.6	Very high	91.8	Very high	48 Å²	48	63.7 Å²	63.7	29%	0.291	32%	0.317	S	S	.	.			trans	-105.6	96.5	174.7	-179	0	0	0	0	108.2	K187 P188 D192 Y193	K187-V190 HydrophobicContact CB-CB 4.49Å; K187-V190 HydrophobicContact CB-CG2 4.28Å; K187-V190 PolarHBondContact O-N 2.88Å; P188-V190 VanDerWaalsContact C-N 3.26Å; P188-V190 PolarHBondContact O-N 3.29Å; V190-D192 HydrophobicContact CG1-CB 4.4Å; V190-D192 PolarHBondContact O-N 3.46Å; V190-Y193 HydrophobicContact CB-CD2 3.7Å; V190-Y193 HydrophobicContact CB-CE2 3.86Å; V190-Y193 HydrophobicContact CG1-CD2 3.75Å; V190-Y193 HydrophobicContact CG1-CE2 3.8Å; V190-Y193 HydrophobicContact CG2-CE2 4.37Å; V190-Y193 PolarHBondContact O-N 3.45Å
191	E	92.3	Very high	92	Very high	125 Å²	125	61.7 Å²	61.7	58%	0.584	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-26.9	-174.2	-65.1	-170.7	156.4	0	0	113.6	Y193 K194 Y195	E191-Y193 PolarHBondContact O-N 3.42Å; E191-Y193 VanDerWaalsContact O-N 3.16Å; E191-K194 WeakPolarHBondContact O-CA 3.34Å; E191-K194 VanDerWaalsContact O-CB 3.26Å; E191-K194 WeakPolarHBondContact O-CB 3.22Å; E191-K194 PolarHBondContact O-N 2.89Å; E191-Y195 HydrophobicContact CB-CD2 4.25Å; E191-Y195 HydrophobicContact CB-CE2 3.81Å; E191-Y195 WeakPolarHBondContact O-CD2 3.46Å; E191-Y195 PolarHBondContact O-N 3.01Å
192	D	96.1	Very high	92.3	Very high	118 Å²	118	64.2 Å²	64.2	63%	0.631	32%	0.318	S	S	*	.	H	α-helix	trans	-58.3	-30.8	178.9	-69.9	-11.5	0	0	0	113	V190 K194 Y195 S196	V190-D192 HydrophobicContact CG1-CB 4.4Å; V190-D192 PolarHBondContact O-N 3.46Å; D192-K194 VanDerWaalsContact C-N 3.27Å; D192-K194 PolarHBondContact O-N 3Å; D192-Y195 PolarHBondContact O-N 3.13Å; D192-S196 VanDerWaalsContact O-CB 3.24Å; D192-S196 WeakPolarHBondContact O-CB 3.46Å; D192-S196 PolarHBondContact O-N 2.9Å; D192-S196 PolarHBondContact O-OG 3.39Å
193	Y	93.6	Very high	92.7	Very high	62 Å²	62	66.5 Å²	66.5	24%	0.243	32%	0.323	C	S	.	.	H	α-helix	trans	-66.3	-31	173.9	-69.9	-58.2	0	0	0	112.8	K187 V190 E191 S196 I197	K187-Y193 HydrophobicContact CB-CD2 4.06Å; K187-Y193 HydrophobicContact CB-CE2 3.8Å; K187-Y193 HydrophobicContact CD-CE2 3.51Å; K187-Y193 HydrophobicContact CG-CE2 4.31Å; K187-Y193 PolarHBondContact NZ-OH 3.08Å; V190-Y193 HydrophobicContact CB-CD2 3.7Å; V190-Y193 HydrophobicContact CB-CE2 3.86Å; V190-Y193 HydrophobicContact CG1-CD2 3.75Å; V190-Y193 HydrophobicContact CG1-CE2 3.8Å; V190-Y193 HydrophobicContact CG2-CE2 4.37Å; V190-Y193 PolarHBondContact O-N 3.45Å; E191-Y193 PolarHBondContact O-N 3.42Å; E191-Y193 VanDerWaalsContact O-N 3.16Å; Y193-S196 PolarHBondContact O-OG 3.46Å; Y193-S196 VanDerWaalsContact O-OG 3.09Å; Y193-I197 WeakPolarHBondContact O-CD1 3.48Å; Y193-I197 WeakPolarHBondContact O-CG1 3.36Å
194	K	92.5	Very high	93.1	Very high	81 Å²	81	66.6 Å²	66.6	35%	0.352	32%	0.322	S	S	.	.	H	α-helix	trans	-73.2	-45.7	174.8	-177.2	-171.9	178	-177.9	0	110	Y184 E191 D192 S196 I197	Y184-K194 HydrophobicContact CD1-CB 4.41Å; Y184-K194 HydrophobicContact CD2-CB 4.14Å; Y184-K194 HydrophobicContact CE1-CB 4.2Å; Y184-K194 HydrophobicContact CE1-CD 4.5Å; Y184-K194 HydrophobicContact CE1-CG 4.11Å; Y184-K194 HydrophobicContact CE2-CB 3.93Å; Y184-K194 HydrophobicContact CE2-CG 4.49Å; Y184-K194 HydrophobicContact CG-CB 4.39Å; E191-K194 WeakPolarHBondContact O-CA 3.34Å; E191-K194 VanDerWaalsContact O-CB 3.26Å; E191-K194 WeakPolarHBondContact O-CB 3.22Å; E191-K194 PolarHBondContact O-N 2.89Å; D192-K194 VanDerWaalsContact C-N 3.27Å; D192-K194 PolarHBondContact O-N 3Å; K194-S196 VanDerWaalsContact C-N 3.34Å; K194-I197 PolarHBondContact O-N 2.92Å
195	Y	94.2	Very high	93.5	Very high	129 Å²	129	65.3 Å²	65.3	51%	0.506	32%	0.317	S	S	.	.	H	α-helix	trans	-65.6	-36.9	179	-63.2	-44.9	0	0	0	112.6	E191 D192 I197 C198 D199	E191-Y195 HydrophobicContact CB-CD2 4.25Å; E191-Y195 HydrophobicContact CB-CE2 3.81Å; E191-Y195 WeakPolarHBondContact O-CD2 3.46Å; E191-Y195 PolarHBondContact O-N 3.01Å; D192-Y195 PolarHBondContact O-N 3.13Å; Y195-I197 VanDerWaalsContact C-N 3.25Å; Y195-I197 PolarHBondContact O-N 3.37Å; Y195-C198 WeakPolarHBondContact O-CB 3.42Å; Y195-C198 PolarHBondContact O-N 3.23Å; Y195-C198 VanDerWaalsContact O-N 3.11Å; Y195-D199 PolarHBondContact O-N 3.12Å
196	S	95.9	Very high	94	Very high	28 Å²	28	69.1 Å²	69.1	20%	0.196	34%	0.336	C	S	.	.	H	α-helix	trans	-64.4	-28.3	179	74.8	0	0	0	0	113.1	M180 D192 Y193 K194 L200	M180-S196 WeakPolarHBondContact CE-OG 3.43Å; M180-S196 VanDerWaalsContact SD-O 3.36Å; M180-S196 PolarHBondContact SD-OG 3.26Å; M180-S196 VanDerWaalsContact SD-OG 3.34Å; D192-S196 VanDerWaalsContact O-CB 3.24Å; D192-S196 WeakPolarHBondContact O-CB 3.46Å; D192-S196 PolarHBondContact O-N 2.9Å; D192-S196 PolarHBondContact O-OG 3.39Å; Y193-S196 PolarHBondContact O-OG 3.46Å; Y193-S196 VanDerWaalsContact O-OG 3.09Å; K194-S196 VanDerWaalsContact C-N 3.34Å; S196-L200 WeakPolarHBondContact O-CB 3.35Å; S196-L200 PolarHBondContact O-N 3.45Å
197	I	96.3	Very high	94.6	Very high	2 Å²	2	65.4 Å²	65.4	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-66.4	-43	174.3	-64	161.4	0	0	0	110.3	V60 R177 M180 V181 Y184 Y193 K194 Y195 D201	V60-I197 HydrophobicContact CB-CD1 4.35Å; V60-I197 HydrophobicContact CG2-CG2 3.94Å; R177-I197 HydrophobicContact CG-CG2 4.47Å; M180-I197 HydrophobicContact CB-CD1 4.43Å; M180-I197 HydrophobicContact CB-CG1 3.62Å; M180-I197 HydrophobicContact SD-CG1 4.48Å; V181-I197 HydrophobicContact CG2-CD1 3.93Å; V181-I197 HydrophobicContact CG2-CG1 4.47Å; Y184-I197 HydrophobicContact CD1-CD1 4.28Å; Y193-I197 WeakPolarHBondContact O-CD1 3.48Å; Y193-I197 WeakPolarHBondContact O-CG1 3.36Å; K194-I197 PolarHBondContact O-N 2.92Å; Y195-I197 VanDerWaalsContact C-N 3.25Å; Y195-I197 PolarHBondContact O-N 3.37Å; I197-D201 PolarHBondContact O-N 3.37Å
198	C	95.6	Very high	95.2	Very high	31 Å²	31	61.4 Å²	61.4	21%	0.209	31%	0.307	C	S	.	.	H	α-helix	trans	-65.7	-46.3	177.8	-59.9	0	0	0	0	111.1	V57 Y195 L200 D201 E202	V57-C198 HydrophobicContact CG1-CB 3.63Å; V57-C198 WeakPolarHBondContact CG1-SG 3.48Å; V57-C198 HydrophobicContact CG2-CB 4.24Å; Y195-C198 WeakPolarHBondContact O-CB 3.42Å; Y195-C198 PolarHBondContact O-N 3.23Å; Y195-C198 VanDerWaalsContact O-N 3.11Å; C198-L200 VanDerWaalsContact C-N 3.34Å; C198-L200 PolarHBondContact O-N 2.83Å; C198-D201 PolarHBondContact O-N 3.42Å; C198-E202 PolarHBondContact O-N 2.91Å
199	D	96	Very high	95.6	Very high	98 Å²	98	60 Å²	60	52%	0.524	29%	0.293	S	S	.	.	H	α-helix	trans	-59.9	-43.1	177	-174.6	73.9	0	0	0	111.6	Y195 D201 E202 Q203	Y195-D199 PolarHBondContact O-N 3.12Å; D199-D201 PolarHBondContact O-N 2.91Å; D199-E202 PolarHBondContact O-N 3.34Å; D199-Q203 WeakPolarHBondContact O-CB 3.14Å; D199-Q203 PolarHBondContact O-N 3.38Å
200	L	97.1	Very high	96	Very high	20 Å²	20	57.1 Å²	57.1	11%	0.105	28%	0.282	C	S	.	.	H	α-helix	trans	-60.7	-42.2	174.3	-179.5	68	0	0	0	112.4	Y173 Q176 R177 M180 S196 C198 E202 Q203 E204	Y173-L200 HydrophobicContact CD2-CD1 4.38Å; Y173-L200 HydrophobicContact CD2-CD2 4.29Å; Y173-L200 HydrophobicContact CD2-CG 4.04Å; Y173-L200 HydrophobicContact CE2-CD2 4.38Å; Y173-L200 HydrophobicContact CE2-CG 4.14Å; Q176-L200 HydrophobicContact CB-CD1 4.45Å; Q176-L200 HydrophobicContact CB-CD2 3.89Å; R177-L200 HydrophobicContact CB-CD2 3.81Å; R177-L200 HydrophobicContact CG-CD2 4.44Å; M180-L200 HydrophobicContact SD-CB 4.03Å; M180-L200 HydrophobicContact SD-CD2 3.77Å; M180-L200 HydrophobicContact SD-CG 4.48Å; S196-L200 WeakPolarHBondContact O-CB 3.35Å; S196-L200 PolarHBondContact O-N 3.45Å; C198-L200 VanDerWaalsContact C-N 3.34Å; C198-L200 PolarHBondContact O-N 2.83Å; L200-E202 VanDerWaalsContact C-N 3.34Å; L200-Q203 PolarHBondContact O-N 3.21Å; L200-E204 WeakPolarHBondContact O-CB 3.3Å; L200-E204 PolarHBondContact O-N 3.01Å
201	D	97.7	Very high	96.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.2	-40.1	177.1	-75.7	-2.8	0	0	0	111	E58 N103 L106 Y173 R177 I197 C198 D199 F205	E58-D201 PolarHBondContact N-OD2 3.23Å; N103-D201 VanDerWaalsContact ND2-CG 3.32Å; N103-D201 PolarHBondContact ND2-OD2 2.92Å; L106-D201 HydrophobicContact CD1-CB 3.91Å; L106-D201 WeakPolarHBondContact CD1-O 2.89Å; Y173-D201 PolarHBondContact OH-OD1 3.03Å; Y173-D201 VanDerWaalsContact OH-OD1 3.07Å; R177-D201 WeakPolarHBondContact CD-OD1 3.4Å; R177-D201 IonicContact CZ-OD1 2.73Å; R177-D201 IonicContact CZ-OD2 3.36Å; R177-D201 IonicContact NE-OD1 2.92Å; R177-D201 PolarHBondContact NE-OD1 3.2Å; R177-D201 IonicContact NE-OD2 3.52Å; R177-D201 IonicContact NH2-OD1 3.5Å; R177-D201 IonicContact NH2-OD2 3.34Å; R177-D201 PolarHBondContact NH2-OD2 3.43Å; I197-D201 PolarHBondContact O-N 3.37Å; C198-D201 PolarHBondContact O-N 3.42Å; D199-D201 PolarHBondContact O-N 2.91Å; D201-F205 PolarHBondContact O-N 2.93Å; D201-F205 VanDerWaalsContact O-N 3.17Å
202	E	97.1	Very high	96.6	Very high	65 Å²	65	49.2 Å²	49.2	30%	0.304	24%	0.242	S	C	.	.	H	α-helix	trans	-67.2	-45.5	175.3	-69.2	-175.9	-179.2	0	0	112.1	I53 V57 C198 D199 L200 E204 F205 L206	I53-E202 HydrophobicContact CD1-CB 4.2Å; I53-E202 HydrophobicContact CG1-CB 3.97Å; I53-E202 HydrophobicContact CG1-CG 3.95Å; V57-E202 HydrophobicContact CG2-CG 3.52Å; V57-E202 WeakPolarHBondContact CG2-OE1 3.46Å; C198-E202 PolarHBondContact O-N 2.91Å; D199-E202 PolarHBondContact O-N 3.34Å; L200-E202 VanDerWaalsContact C-N 3.34Å; E202-E204 VanDerWaalsContact C-N 3.3Å; E202-E204 PolarHBondContact O-N 3.49Å; E202-F205 WeakPolarHBondContact O-CB 3.34Å; E202-F205 PolarHBondContact O-N 3.13Å; E202-L206 PolarHBondContact O-N 2.98Å; E202-L206 VanDerWaalsContact O-N 3.13Å
203	Q	96.7	Very high	96.7	Very high	113 Å²	113	45.2 Å²	45.2	53%	0.528	22%	0.222	S	C	.	.	H	α-helix	trans	-59.7	-41.9	176.7	-174.1	-174	-48.6	0	0	111.3	D199 L200 F205 L206 T207	D199-Q203 WeakPolarHBondContact O-CB 3.14Å; D199-Q203 PolarHBondContact O-N 3.38Å; L200-Q203 PolarHBondContact O-N 3.21Å; Q203-F205 VanDerWaalsContact C-N 3.34Å; Q203-F205 PolarHBondContact O-N 2.72Å; Q203-L206 PolarHBondContact O-N 3.45Å; Q203-T207 WeakPolarHBondContact O-CB 3.32Å; Q203-T207 PolarHBondContact O-N 3.5Å; Q203-T207 PolarHBondContact O-OG1 2.85Å
204	E	97.7	Very high	96.9	Very high	13 Å²	13	45 Å²	45	6%	0.061	22%	0.224	C	C	.	.	H	α-helix	trans	-65	-38.7	178	179.7	63.8	-174.9	0	0	111.5	L106 Y173 L200 E202 L206 T207 I208	L106-E204 HydrophobicContact CD1-CB 4.11Å; L106-E204 HydrophobicContact CD1-CG 4.17Å; L106-E204 HydrophobicContact CD2-CB 4.36Å; L106-E204 HydrophobicContact CD2-CG 4.07Å; Y173-E204 VanDerWaalsContact CB-CD 3.5Å; Y173-E204 WeakPolarHBondContact CB-OE2 3.22Å; Y173-E204 HydrophobicContact CD1-CG 3.77Å; Y173-E204 HydrophobicContact CD2-CB 3.51Å; Y173-E204 HydrophobicContact CD2-CG 3.52Å; Y173-E204 HydrophobicContact CE1-CG 4.04Å; Y173-E204 HydrophobicContact CE2-CB 3.68Å; Y173-E204 HydrophobicContact CE2-CG 3.82Å; Y173-E204 HydrophobicContact CG-CB 4.04Å; Y173-E204 VanDerWaalsContact CG-CD 3.46Å; Y173-E204 HydrophobicContact CG-CG 3.5Å; L200-E204 WeakPolarHBondContact O-CB 3.3Å; L200-E204 PolarHBondContact O-N 3.01Å; E202-E204 VanDerWaalsContact C-N 3.3Å; E202-E204 PolarHBondContact O-N 3.49Å; E204-L206 PolarHBondContact O-N 3.14Å; E204-T207 WeakPolarHBondContact O-CB 3.15Å; E204-T207 PolarHBondContact O-N 3.28Å; E204-I208 HydrophobicContact CG-CD1 3.96Å; E204-I208 HydrophobicContact CG-CG1 4.35Å; E204-I208 WeakPolarHBondContact O-CB 3.24Å; E204-I208 VanDerWaalsContact O-CG1 3.31Å; E204-I208 WeakPolarHBondContact O-CG1 3.15Å; E204-I208 PolarHBondContact O-N 3.28Å
205	F	97.9	Very high	97.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.4	-47.9	174.2	176.7	-118.4	0	0	0	112.1	S49 R52 I53 I56 L106 L109 D201 E202 Q203 T207 I208 R209	S49-F205 WeakPolarHBondContact O-CZ 3.28Å; R52-F205 HydrophobicContact CB-CE1 4.3Å; R52-F205 HydrophobicContact CB-CZ 3.93Å; I53-F205 HydrophobicContact CB-CD1 4.16Å; I53-F205 HydrophobicContact CB-CE1 4.34Å; I53-F205 HydrophobicContact CG1-CD1 4.41Å; I56-F205 HydrophobicContact CB-CB 4.35Å; I56-F205 HydrophobicContact CD1-CD2 3.76Å; I56-F205 HydrophobicContact CD1-CE2 4.02Å; I56-F205 HydrophobicContact CD1-CG 4.21Å; I56-F205 HydrophobicContact CG1-CB 3.91Å; I56-F205 HydrophobicContact CG1-CD1 4Å; I56-F205 HydrophobicContact CG1-CD2 3.71Å; I56-F205 HydrophobicContact CG1-CE1 4.43Å; I56-F205 HydrophobicContact CG1-CE2 4.18Å; I56-F205 HydrophobicContact CG1-CG 3.61Å; I56-F205 HydrophobicContact CG2-CB 4.09Å; L106-F205 HydrophobicContact CD2-CB 3.99Å; L109-F205 HydrophobicContact CD1-CD2 3.53Å; L109-F205 HydrophobicContact CD1-CE2 3.69Å; D201-F205 PolarHBondContact O-N 2.93Å; D201-F205 VanDerWaalsContact O-N 3.17Å; E202-F205 WeakPolarHBondContact O-CB 3.34Å; E202-F205 PolarHBondContact O-N 3.13Å; Q203-F205 VanDerWaalsContact C-N 3.34Å; Q203-F205 PolarHBondContact O-N 2.72Å; F205-T207 VanDerWaalsContact C-N 3.29Å; F205-T207 PolarHBondContact O-N 3.47Å; F205-I208 PolarHBondContact O-N 2.92Å; F205-R209 HydrophobicContact CE2-CG 4.34Å; F205-R209 HydrophobicContact CZ-CG 4.28Å; F205-R209 WeakPolarHBondContact O-CG 3.4Å; F205-R209 PolarHBondContact O-N 3.39Å; F205-R209 VanDerWaalsContact O-N 3.14Å
206	L	97	Very high	97.4	Very high	85 Å²	85	38 Å²	38	45%	0.445	19%	0.194	S	C	.	.	H	α-helix	trans	-60.9	-42	177	-66.3	177.4	0	0	0	111.3	I53 E202 Q203 E204 R209 L210	I53-L206 HydrophobicContact CD1-CD1 3.93Å; I53-L206 HydrophobicContact CD1-CD2 4.11Å; I53-L206 HydrophobicContact CD1-CG 4.04Å; E202-L206 PolarHBondContact O-N 2.98Å; E202-L206 VanDerWaalsContact O-N 3.13Å; Q203-L206 PolarHBondContact O-N 3.45Å; E204-L206 PolarHBondContact O-N 3.14Å; L206-R209 WeakPolarHBondContact O-CB 3.33Å; L206-R209 PolarHBondContact O-N 3.14Å; L206-L210 WeakPolarHBondContact O-CB 3.49Å; L206-L210 PolarHBondContact O-N 2.97Å
207	T	97.5	Very high	97.5	Very high	42 Å²	42	38.8 Å²	38.8	26%	0.258	20%	0.197	S	C	.	.	H	α-helix	trans	-60.8	-48.3	177.3	-59.1	0	0	0	0	111.3	Q203 E204 F205 R209 L210 V211	Q203-T207 WeakPolarHBondContact O-CB 3.32Å; Q203-T207 PolarHBondContact O-N 3.5Å; Q203-T207 PolarHBondContact O-OG1 2.85Å; E204-T207 WeakPolarHBondContact O-CB 3.15Å; E204-T207 PolarHBondContact O-N 3.28Å; F205-T207 VanDerWaalsContact C-N 3.29Å; F205-T207 PolarHBondContact O-N 3.47Å; T207-R209 VanDerWaalsContact C-N 3.3Å; T207-R209 PolarHBondContact O-N 2.91Å; T207-L210 WeakPolarHBondContact O-CB 3.23Å; T207-L210 PolarHBondContact O-N 2.81Å; T207-L210 VanDerWaalsContact O-N 3.12Å; T207-V211 HydrophobicContact CG2-CG2 4.46Å; T207-V211 WeakPolarHBondContact O-CG2 3.43Å; T207-V211 PolarHBondContact O-N 3.15Å
208	I	97.9	Very high	97.6	Very high	7 Å²	7	39.4 Å²	39.4	4%	0.036	20%	0.199	C	C	.	.	H	α-helix	trans	-58.2	-41.7	177.7	-73.6	171.2	0	0	0	111.4	F48 L106 L109 I110 V113 E204 F205 V211 V212	F48-I208 HydrophobicContact CE1-CG2 3.74Å; F48-I208 HydrophobicContact CZ-CG2 4.49Å; L106-I208 HydrophobicContact CD2-CD1 3.95Å; L109-I208 HydrophobicContact CB-CD1 4.19Å; L109-I208 HydrophobicContact CB-CG2 4.16Å; I110-I208 HydrophobicContact CD1-CD1 4.42Å; I110-I208 HydrophobicContact CG1-CD1 3.75Å; V113-I208 HydrophobicContact CG2-CG2 3.94Å; E204-I208 HydrophobicContact CG-CD1 3.96Å; E204-I208 HydrophobicContact CG-CG1 4.35Å; E204-I208 WeakPolarHBondContact O-CB 3.24Å; E204-I208 VanDerWaalsContact O-CG1 3.31Å; E204-I208 WeakPolarHBondContact O-CG1 3.15Å; E204-I208 PolarHBondContact O-N 3.28Å; F205-I208 PolarHBondContact O-N 2.92Å; I208-V211 PolarHBondContact O-N 3.09Å; I208-V212 WeakPolarHBondContact O-CG2 3.37Å; I208-V212 PolarHBondContact O-N 3.31Å; I208-V212 VanDerWaalsContact O-N 3.17Å
209	R	97.5	Very high	97.8	Very high	36 Å²	36	38.2 Å²	38.2	14%	0.136	19%	0.19	C	C	.	.	H	α-helix	trans	-64.7	-43	175.9	-62.5	168.1	64.2	74.4	24.3	112.4	F48 S49 P50 F205 L206 T207 V211 V212 T213	F48-R209 HydrophobicContact CD1-CG 4.29Å; F48-R209 PolarHBondContact O-NH1 3.41Å; F48-R209 PolarHBondContact O-NH2 3.05Å; S49-R209 PolarHBondContact O-NH1 3.12Å; P50-R209 VanDerWaalsContact CA-NH1 3.31Å; F205-R209 HydrophobicContact CE2-CG 4.34Å; F205-R209 HydrophobicContact CZ-CG 4.28Å; F205-R209 WeakPolarHBondContact O-CG 3.4Å; F205-R209 PolarHBondContact O-N 3.39Å; F205-R209 VanDerWaalsContact O-N 3.14Å; L206-R209 WeakPolarHBondContact O-CB 3.33Å; L206-R209 PolarHBondContact O-N 3.14Å; T207-R209 VanDerWaalsContact C-N 3.3Å; T207-R209 PolarHBondContact O-N 2.91Å; R209-V211 VanDerWaalsContact C-N 3.3Å; R209-V212 PolarHBondContact O-N 3.2Å; R209-T213 WeakPolarHBondContact O-CB 3.44Å; R209-T213 PolarHBondContact O-N 2.67Å; R209-T213 PolarHBondContact O-OG1 2.88Å
210	L	97.5	Very high	97.9	Very high	96 Å²	96	35.3 Å²	35.3	50%	0.503	18%	0.178	S	C	.	.	H	α-helix	trans	-61.2	-43.7	178.1	179.5	61.7	0	0	0	109.8	L206 T207 V212 T213 E214	L206-L210 WeakPolarHBondContact O-CB 3.49Å; L206-L210 PolarHBondContact O-N 2.97Å; T207-L210 WeakPolarHBondContact O-CB 3.23Å; T207-L210 PolarHBondContact O-N 2.81Å; T207-L210 VanDerWaalsContact O-N 3.12Å; L210-V212 PolarHBondContact O-N 3.46Å; L210-T213 CarbonylContact O-C 3.24Å; L210-T213 WeakPolarHBondContact O-CA 2.9Å; L210-T213 VanDerWaalsContact O-CB 3.29Å; L210-T213 WeakPolarHBondContact O-CB 3.47Å; L210-T213 PolarHBondContact O-N 2.93Å; L210-T213 VanDerWaalsContact O-N 3.09Å; L210-E214 HydrophobicContact CD1-CG 4.16Å; L210-E214 HydrophobicContact CG-CG 4.34Å; L210-E214 WeakPolarHBondContact O-CG 3.42Å; L210-E214 PolarHBondContact O-N 3.17Å
211	V	98.1	Very high	98	Very high	7 Å²	7	38.3 Å²	38.3	4%	0.042	19%	0.194	C	C	.	.	H	α-helix	trans	-57.5	-45.6	175.9	167.9	0	0	0	0	112.3	V113 L117 F166 T207 I208 R209 T213 E214 L215	V113-V211 HydrophobicContact CG1-CG1 4Å; L117-V211 HydrophobicContact CD1-CG1 4.07Å; L117-V211 HydrophobicContact CD2-CG1 3.72Å; L117-V211 HydrophobicContact CG-CG1 4.21Å; F166-V211 HydrophobicContact CB-CG1 3.99Å; F166-V211 HydrophobicContact CB-CG2 4.1Å; F166-V211 HydrophobicContact CD1-CG2 3.68Å; F166-V211 HydrophobicContact CD2-CG1 3.88Å; F166-V211 HydrophobicContact CD2-CG2 4.28Å; F166-V211 HydrophobicContact CE1-CG2 4.12Å; F166-V211 HydrophobicContact CG-CB 4.43Å; F166-V211 HydrophobicContact CG-CG1 3.96Å; F166-V211 HydrophobicContact CG-CG2 3.77Å; T207-V211 HydrophobicContact CG2-CG2 4.46Å; T207-V211 WeakPolarHBondContact O-CG2 3.43Å; T207-V211 PolarHBondContact O-N 3.15Å; I208-V211 PolarHBondContact O-N 3.09Å; R209-V211 VanDerWaalsContact C-N 3.3Å; V211-T213 VanDerWaalsContact C-N 3.3Å; V211-T213 PolarHBondContact O-N 3.17Å; V211-E214 PolarHBondContact O-N 3.48Å; V211-L215 VanDerWaalsContact O-CB 3.31Å; V211-L215 WeakPolarHBondContact O-CB 3.36Å; V211-L215 PolarHBondContact O-N 2.9Å
212	V	98.2	Very high	98	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.3	-37.2	177	178.7	0	0	0	0	111.2	L39 L42 L43 F48 V113 I208 R209 L210 R216	L39-V212 HydrophobicContact CD2-CG1 3.92Å; L42-V212 HydrophobicContact CD2-CG1 4.03Å; L42-V212 HydrophobicContact CD2-CG2 4.39Å; L43-V212 HydrophobicContact CD1-CG1 4.13Å; L43-V212 HydrophobicContact CD2-CB 3.96Å; L43-V212 HydrophobicContact CD2-CG1 3.7Å; L43-V212 HydrophobicContact CG-CB 4.46Å; L43-V212 HydrophobicContact CG-CG1 3.67Å; F48-V212 HydrophobicContact CD1-CG2 4.33Å; F48-V212 HydrophobicContact CE1-CG2 3.68Å; F48-V212 HydrophobicContact CZ-CG2 4.26Å; V113-V212 HydrophobicContact CG1-CG2 4.17Å; V113-V212 HydrophobicContact CG2-CG2 3.52Å; I208-V212 WeakPolarHBondContact O-CG2 3.37Å; I208-V212 PolarHBondContact O-N 3.31Å; I208-V212 VanDerWaalsContact O-N 3.17Å; R209-V212 PolarHBondContact O-N 3.2Å; L210-V212 PolarHBondContact O-N 3.46Å; V212-R216 PolarHBondContact O-N 3.25Å; V212-R216 VanDerWaalsContact O-N 3.11Å
213	T	98.4	Very high	98.1	Very high	35 Å²	35	37.4 Å²	37.4	22%	0.215	19%	0.19	C	C	.	.	H	α-helix	trans	-63	-49.8	175.4	-64.8	0	0	0	0	111.5	R209 L210 V211 R216 N217	R209-T213 WeakPolarHBondContact O-CB 3.44Å; R209-T213 PolarHBondContact O-N 2.67Å; R209-T213 PolarHBondContact O-OG1 2.88Å; L210-T213 CarbonylContact O-C 3.24Å; L210-T213 WeakPolarHBondContact O-CA 2.9Å; L210-T213 VanDerWaalsContact O-CB 3.29Å; L210-T213 WeakPolarHBondContact O-CB 3.47Å; L210-T213 PolarHBondContact O-N 2.93Å; L210-T213 VanDerWaalsContact O-N 3.09Å; V211-T213 VanDerWaalsContact C-N 3.3Å; V211-T213 PolarHBondContact O-N 3.17Å; T213-R216 WeakPolarHBondContact O-CB 3.4Å; T213-R216 PolarHBondContact O-N 2.9Å; T213-N217 PolarHBondContact O-N 3.4Å; T213-N217 PolarHBondContact O-ND2 3.44Å; T213-N217 PolarHBondContact O-OD1 3.09Å
214	E	98.3	Very high	98.2	Very high	58 Å²	58	35.5 Å²	35.5	27%	0.271	18%	0.183	S	C	.	.	H	α-helix	trans	-64.6	-40.2	178.1	-69.9	-46.8	129	0	0	111.6	F166 L210 V211 R216 N217 H218	F166-E214 HydrophobicContact CE2-CB 3.98Å; F166-E214 HydrophobicContact CZ-CB 3.9Å; F166-E214 HydrophobicContact CZ-CG 4.25Å; L210-E214 HydrophobicContact CD1-CG 4.16Å; L210-E214 HydrophobicContact CG-CG 4.34Å; L210-E214 WeakPolarHBondContact O-CG 3.42Å; L210-E214 PolarHBondContact O-N 3.17Å; V211-E214 PolarHBondContact O-N 3.48Å; E214-R216 VanDerWaalsContact C-N 3.31Å; E214-R216 PolarHBondContact O-N 3.29Å; E214-N217 CarbonylContact O-C 3.56Å; E214-N217 WeakPolarHBondContact O-CB 3.38Å; E214-N217 PolarHBondContact O-N 3.43Å; E214-N217 PolarHBondContact OE1-ND2 3.23Å; E214-H218 WeakPolarHBondContact O-CB 3.39Å; E214-H218 PolarHBondContact O-CD2 3.29Å; E214-H218 PolarHBondContact O-N 3.33Å
215	L	98.4	Very high	98.2	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.021	19%	0.188	C	C	.	.	H	α-helix	trans	-58.9	-43.5	175.7	-176.6	58.4	0	0	0	112.1	L39 L116 A120 V163 V211 H218 Y219	L39-L215 HydrophobicContact CD1-CB 4.47Å; L39-L215 HydrophobicContact CD1-CD2 4.31Å; L39-L215 HydrophobicContact CD1-CG 3.95Å; L39-L215 HydrophobicContact CD2-CD2 3.99Å; L39-L215 HydrophobicContact CD2-CG 4.39Å; L116-L215 HydrophobicContact CB-CD2 3.97Å; A120-L215 HydrophobicContact CB-CD1 3.35Å; A120-L215 HydrophobicContact CB-CD2 4.43Å; V163-L215 HydrophobicContact CG2-CD1 4.5Å; V211-L215 VanDerWaalsContact O-CB 3.31Å; V211-L215 WeakPolarHBondContact O-CB 3.36Å; V211-L215 PolarHBondContact O-N 2.9Å; L215-H218 PolarHBondContact O-N 2.95Å; L215-Y219 HydrophobicContact CD1-CD2 3.96Å; L215-Y219 HydrophobicContact CD1-CE2 3.47Å; L215-Y219 VanDerWaalsContact CD1-CE2 3.47Å; L215-Y219 HydrophobicContact CD2-CE2 4.28Å; L215-Y219 HydrophobicContact CG-CD2 4.03Å; L215-Y219 HydrophobicContact CG-CE2 3.7Å; L215-Y219 WeakPolarHBondContact O-CD2 3.48Å; L215-Y219 PolarHBondContact O-N 2.89Å; L215-Y219 VanDerWaalsContact O-N 3.09Å
216	R	98.6	Very high	98.2	Very high	57 Å²	57	36.2 Å²	36.2	22%	0.215	19%	0.188	C	C	.	.	H	α-helix	trans	-62	-44.6	173.7	178.7	-159.4	57.6	-154.9	-7.3	111.2	I36 L39 N40 V212 T213 E214 S220	I36-R216 HydrophobicContact CG2-CG 4.13Å; L39-R216 HydrophobicContact CB-CB 3.92Å; L39-R216 HydrophobicContact CB-CG 4.29Å; L39-R216 HydrophobicContact CD1-CB 4.04Å; N40-R216 WeakPolarHBondContact OD1-CD 3.26Å; N40-R216 PolarHBondContact OD1-NH1 3.18Å; V212-R216 PolarHBondContact O-N 3.25Å; V212-R216 VanDerWaalsContact O-N 3.11Å; T213-R216 WeakPolarHBondContact O-CB 3.4Å; T213-R216 PolarHBondContact O-N 2.9Å; E214-R216 VanDerWaalsContact C-N 3.31Å; E214-R216 PolarHBondContact O-N 3.29Å; R216-S220 WeakPolarHBondContact O-CB 3.37Å; R216-S220 PolarHBondContact O-N 3.47Å; R216-S220 PolarHBondContact O-OG 3.08Å
217	N	98.6	Very high	98.2	Very high	46 Å²	46	35.2 Å²	35.2	25%	0.246	19%	0.186	C	C	.	.	H	α-helix	trans	-62.9	-43.6	-180	-61.9	-13.5	0	0	0	110.6	T213 E214 S220 N221	T213-N217 PolarHBondContact O-N 3.4Å; T213-N217 PolarHBondContact O-ND2 3.44Å; T213-N217 PolarHBondContact O-OD1 3.09Å; E214-N217 CarbonylContact O-C 3.56Å; E214-N217 WeakPolarHBondContact O-CB 3.38Å; E214-N217 PolarHBondContact O-N 3.43Å; E214-N217 PolarHBondContact OE1-ND2 3.23Å; N217-S220 WeakPolarHBondContact O-CB 3.35Å; N217-S220 PolarHBondContact O-N 3.17Å; N217-N221 WeakPolarHBondContact O-CB 3.5Å; N217-N221 PolarHBondContact O-N 3.06Å; N217-N221 PolarHBondContact O-OD1 3.26Å
218	H	98.6	Very high	98.3	Very high	14 Å²	14	40.3 Å²	40.3	7%	0.065	20%	0.204	C	C	.	.	H	α-helix	trans	-60.1	-50.8	176.7	-65.5	-32.2	0	0	0	112.2	V159 E162 E214 L215 S220 N221 L222	V159-H218 HydrophobicContact CG1-CB 3.74Å; V159-H218 HydrophobicContact CG2-CB 4.24Å; E162-H218 IonicContact OE2-CE1 3.5Å; E162-H218 PolarHBondContact OE2-CE1 3.3Å; E162-H218 IonicContact OE2-ND1 3.48Å; E162-H218 IonicContact OE2-NE2 3Å; E162-H218 PolarHBondContact OE2-NE2 2.88Å; E214-H218 WeakPolarHBondContact O-CB 3.39Å; E214-H218 PolarHBondContact O-CD2 3.29Å; E214-H218 PolarHBondContact O-N 3.33Å; L215-H218 PolarHBondContact O-N 2.95Å; H218-S220 VanDerWaalsContact C-N 3.26Å; H218-S220 PolarHBondContact O-N 3.05Å; H218-N221 PolarHBondContact O-N 3.01Å; H218-L222 WeakPolarHBondContact O-CB 3.39Å; H218-L222 VanDerWaalsContact O-CG 3.28Å; H218-L222 WeakPolarHBondContact O-CG 3.29Å; H218-L222 PolarHBondContact O-N 3.43Å
219	Y	98.8	Very high	98.2	Very high	6 Å²	6	42.1 Å²	42.1	2%	0.024	21%	0.214	C	C	.	.	H	α-helix	trans	-59.6	-39.6	175.7	-76.5	-60.9	0	0	0	112	F32 R35 L39 A120 D123 L215 H223	F32-Y219 HydrophobicContact CB-CD1 4.43Å; F32-Y219 AromaticContact CD1-CD1 3.6Å; F32-Y219 HydrophobicContact CD1-CD1 3.6Å; F32-Y219 AromaticContact CD1-CE1 3.8Å; F32-Y219 HydrophobicContact CD1-CE1 3.8Å; F32-Y219 AromaticContact CD2-CD1 3.96Å; F32-Y219 HydrophobicContact CD2-CD1 3.96Å; F32-Y219 AromaticContact CE1-CD1 3.67Å; F32-Y219 HydrophobicContact CE1-CD1 3.67Å; F32-Y219 AromaticContact CE1-CE1 3.56Å; F32-Y219 HydrophobicContact CE1-CE1 3.56Å; F32-Y219 HydrophobicContact CE2-CD1 4.04Å; F32-Y219 AromaticContact CG-CD1 3.74Å; F32-Y219 HydrophobicContact CG-CD1 3.74Å; F32-Y219 HydrophobicContact CG-CE1 4.4Å; F32-Y219 AromaticContact CZ-CD1 3.89Å; F32-Y219 HydrophobicContact CZ-CD1 3.89Å; F32-Y219 HydrophobicContact CZ-CE1 4.01Å; R35-Y219 HydrophobicContact CB-CD2 4.19Å; R35-Y219 HydrophobicContact CB-CE2 4.19Å; R35-Y219 HydrophobicContact CB-CG 4.45Å; R35-Y219 PolarHBondContact NH1-OH 3.29Å; L39-Y219 HydrophobicContact CD1-CD2 3.69Å; L39-Y219 HydrophobicContact CD1-CE2 4.04Å; A120-Y219 VanDerWaalsContact CA-OH 3.23Å; A120-Y219 WeakPolarHBondContact CA-OH 3.41Å; A120-Y219 HydrophobicContact CB-CE2 4.45Å; A120-Y219 WeakPolarHBondContact CB-OH 3.48Å; D123-Y219 HydrophobicContact CB-CE1 4.36Å; D123-Y219 PolarHBondContact OD2-OH 2.98Å; D123-Y219 VanDerWaalsContact OD2-OH 3.11Å; L215-Y219 HydrophobicContact CD1-CD2 3.96Å; L215-Y219 HydrophobicContact CD1-CE2 3.47Å; L215-Y219 VanDerWaalsContact CD1-CE2 3.47Å; L215-Y219 HydrophobicContact CD2-CE2 4.28Å; L215-Y219 HydrophobicContact CG-CD2 4.03Å; L215-Y219 HydrophobicContact CG-CE2 3.7Å; L215-Y219 WeakPolarHBondContact O-CD2 3.48Å; L215-Y219 PolarHBondContact O-N 2.89Å; L215-Y219 VanDerWaalsContact O-N 3.09Å; Y219-H223 WeakPolarHBondContact O-CB 3.45Å; Y219-H223 PolarHBondContact O-N 3.01Å
220	S	98.7	Very high	98.1	Very high	37 Å²	37	42.4 Å²	42.4	26%	0.259	22%	0.218	S	C	.	.	H	α-helix	trans	-64.5	-48.7	179.4	-56.8	0	0	0	0	111.7	R216 N217 H218 H223 D224	R216-S220 WeakPolarHBondContact O-CB 3.37Å; R216-S220 PolarHBondContact O-N 3.47Å; R216-S220 PolarHBondContact O-OG 3.08Å; N217-S220 WeakPolarHBondContact O-CB 3.35Å; N217-S220 PolarHBondContact O-N 3.17Å; H218-S220 VanDerWaalsContact C-N 3.26Å; H218-S220 PolarHBondContact O-N 3.05Å; S220-H223 PolarHBondContact O-N 2.78Å; S220-D224 VanDerWaalsContact O-CB 3.28Å; S220-D224 WeakPolarHBondContact O-CB 3.47Å; S220-D224 PolarHBondContact O-N 3.02Å
221	N	98.5	Very high	98	Very high	83 Å²	83	44.3 Å²	44.3	44%	0.444	22%	0.224	S	C	.	.	H	α-helix	trans	-64.7	-49	-179.8	-68.3	-8.2	0	0	0	111	N217 H218 H223 D224 V225	N217-N221 WeakPolarHBondContact O-CB 3.5Å; N217-N221 PolarHBondContact O-N 3.06Å; N217-N221 PolarHBondContact O-OD1 3.26Å; H218-N221 PolarHBondContact O-N 3.01Å; N221-H223 PolarHBondContact O-N 2.88Å; N221-D224 PolarHBondContact O-N 2.67Å; N221-V225 WeakPolarHBondContact O-CB 3.28Å; N221-V225 WeakPolarHBondContact O-CG1 3.34Å; N221-V225 PolarHBondContact O-N 2.9Å
222	L	98.6	Very high	97.8	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-62	-42.2	178.8	-68.9	-177.1	0	0	0	111.9	F32 V124 E155 V156 V159 H218 I226	F32-L222 HydrophobicContact CD2-CB 4.42Å; F32-L222 HydrophobicContact CE2-CB 3.95Å; F32-L222 HydrophobicContact CE2-CD1 4.41Å; V124-L222 HydrophobicContact CG2-CD1 4.35Å; E155-L222 HydrophobicContact CG-CD2 4.23Å; V156-L222 HydrophobicContact CG2-CD2 3.65Å; V159-L222 HydrophobicContact CB-CD1 4.45Å; V159-L222 HydrophobicContact CG1-CD1 4.2Å; V159-L222 HydrophobicContact CG2-CD1 4.36Å; V159-L222 HydrophobicContact CG2-CD2 4.47Å; V159-L222 HydrophobicContact CG2-CG 4.46Å; H218-L222 WeakPolarHBondContact O-CB 3.39Å; H218-L222 VanDerWaalsContact O-CG 3.28Å; H218-L222 WeakPolarHBondContact O-CG 3.29Å; H218-L222 PolarHBondContact O-N 3.43Å; L222-I226 VanDerWaalsContact O-CB 3.24Å; L222-I226 WeakPolarHBondContact O-CB 3.31Å; L222-I226 VanDerWaalsContact O-CD1 3.32Å; L222-I226 WeakPolarHBondContact O-CD1 3.46Å; L222-I226 WeakPolarHBondContact O-CG1 3.34Å; L222-I226 PolarHBondContact O-N 3.33Å; L222-I226 VanDerWaalsContact O-N 3.13Å
223	H	98.5	Very high	97.6	Very high	45 Å²	45	47.8 Å²	47.8	21%	0.208	24%	0.239	C	C	.	.	H	α-helix	trans	-60.2	-52.1	174.4	177.5	74.6	0	0	0	111.2	V28 F32 P33 Y219 S220 N221 I226 V227	V28-H223 PolarHBondContact O-ND1 3.34Å; F32-H223 HydrophobicContact CB-CB 4.13Å; F32-H223 HydrophobicContact CD2-CB 4.21Å; P33-H223 WeakPolarHBondContact CG-CE1 3.36Å; Y219-H223 WeakPolarHBondContact O-CB 3.45Å; Y219-H223 PolarHBondContact O-N 3.01Å; S220-H223 PolarHBondContact O-N 2.78Å; N221-H223 PolarHBondContact O-N 2.88Å; H223-I226 PolarHBondContact O-N 3.46Å; H223-V227 WeakPolarHBondContact O-CB 3.47Å; H223-V227 WeakPolarHBondContact O-CG2 3.46Å; H223-V227 PolarHBondContact O-N 2.94Å
224	D	98.6	Very high	97.4	Very high	73 Å²	73	49.7 Å²	49.7	39%	0.39	24%	0.244	S	C	.	.	H	α-helix	trans	-61.5	-49.5	-176.4	-179.2	65.2	0	0	0	112.2	S220 N221 I226 V227 K228	S220-D224 VanDerWaalsContact O-CB 3.28Å; S220-D224 WeakPolarHBondContact O-CB 3.47Å; S220-D224 PolarHBondContact O-N 3.02Å; N221-D224 PolarHBondContact O-N 2.67Å; D224-I226 PolarHBondContact O-N 3.45Å; D224-V227 PolarHBondContact O-N 3.03Å; D224-K228 WeakPolarHBondContact O-CB 3.32Å; D224-K228 WeakPolarHBondContact O-CG 3.32Å; D224-K228 PolarHBondContact O-N 3.43Å; D224-K228 WeakPolarHBondContact OD1-CE 3.47Å; D224-K228 IonicContact OD1-NZ 3.81Å; D224-K228 PolarHBondContact OD1-NZ 2.85Å; D224-K228 WeakPolarHBondContact OD2-CE 3.37Å; D224-K228 IonicContact OD2-NZ 2.9Å; D224-K228 PolarHBondContact OD2-NZ 2.93Å
225	V	98	Very high	97.1	Very high	28 Å²	28	52.1 Å²	52.1	17%	0.17	26%	0.259	C	S	.	.	H	α-helix	trans	-65.4	-39.5	-178.4	76.3	0	0	0	0	111.7	I152 N221 N229	I152-V225 HydrophobicContact CD1-CG2 4.32Å; I152-V225 HydrophobicContact CG1-CG2 3.99Å; I152-V225 HydrophobicContact CG2-CG1 4.19Å; N221-V225 WeakPolarHBondContact O-CB 3.28Å; N221-V225 WeakPolarHBondContact O-CG1 3.34Å; N221-V225 PolarHBondContact O-N 2.9Å; V225-N229 WeakPolarHBondContact O-CB 3.4Å; V225-N229 PolarHBondContact O-N 3.22Å; V225-N229 PolarHBondContact O-ND2 2.98Å
226	I	98	Very high	96.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-69.2	-46.4	178.6	-70.1	168.7	0	0	0	110.5	V28 V127 W130 I152 L222 H223 D224 K228 N229 L230 L233	V28-I226 HydrophobicContact CG1-CB 3.96Å; V28-I226 HydrophobicContact CG1-CD1 3.76Å; V28-I226 HydrophobicContact CG1-CG1 4.46Å; V28-I226 HydrophobicContact CG1-CG2 3.75Å; V28-I226 HydrophobicContact CG2-CD1 4.16Å; V127-I226 HydrophobicContact CG1-CD1 3.73Å; W130-I226 HydrophobicContact CH2-CG2 3.94Å; W130-I226 HydrophobicContact CZ3-CD1 4.38Å; W130-I226 HydrophobicContact CZ3-CG2 3.75Å; I152-I226 HydrophobicContact CG2-CG1 4.1Å; L222-I226 VanDerWaalsContact O-CB 3.24Å; L222-I226 WeakPolarHBondContact O-CB 3.31Å; L222-I226 VanDerWaalsContact O-CD1 3.32Å; L222-I226 WeakPolarHBondContact O-CD1 3.46Å; L222-I226 WeakPolarHBondContact O-CG1 3.34Å; L222-I226 PolarHBondContact O-N 3.33Å; L222-I226 VanDerWaalsContact O-N 3.13Å; H223-I226 PolarHBondContact O-N 3.46Å; D224-I226 PolarHBondContact O-N 3.45Å; I226-K228 PolarHBondContact O-N 3.46Å; I226-N229 CarbonylContact O-C 3.57Å; I226-N229 PolarHBondContact O-N 3.22Å; I226-L230 HydrophobicContact CG2-CD1 4.3Å; I226-L230 VanDerWaalsContact O-CA 3.32Å; I226-L230 WeakPolarHBondContact O-CA 3.22Å; I226-L230 WeakPolarHBondContact O-CB 3.31Å; I226-L230 PolarHBondContact O-N 3Å; I226-L233 HydrophobicContact CG1-CD1 4.28Å; I226-L233 HydrophobicContact CG2-CD1 4.36Å
227	V	97.8	Very high	96.2	Very high	65 Å²	65	52.1 Å²	52.1	39%	0.394	26%	0.26	S	S	.	.	H	α-helix	trans	-62	-44.7	-178.9	168.7	0	0	0	0	110.8	L29 H223 D224 N229 L230	L29-V227 HydrophobicContact CD2-CG2 3.74Å; H223-V227 WeakPolarHBondContact O-CB 3.47Å; H223-V227 WeakPolarHBondContact O-CG2 3.46Å; H223-V227 PolarHBondContact O-N 2.94Å; D224-V227 PolarHBondContact O-N 3.03Å; V227-N229 VanDerWaalsContact C-N 3.25Å; V227-N229 PolarHBondContact O-N 2.6Å; V227-L230 PolarHBondContact O-N 3.33Å
228	K	97.9	Very high	95.4	Very high	148 Å²	148	53.9 Å²	53.9	64%	0.643	27%	0.274	S	S	*	.	H	α-helix	trans	-61.6	-32.5	177.7	-77.4	170.5	173.2	164.3	0	113.1	D224 I226	D224-K228 WeakPolarHBondContact O-CB 3.32Å; D224-K228 WeakPolarHBondContact O-CG 3.32Å; D224-K228 PolarHBondContact O-N 3.43Å; D224-K228 WeakPolarHBondContact OD1-CE 3.47Å; D224-K228 IonicContact OD1-NZ 3.81Å; D224-K228 PolarHBondContact OD1-NZ 2.85Å; D224-K228 WeakPolarHBondContact OD2-CE 3.37Å; D224-K228 IonicContact OD2-NZ 2.9Å; D224-K228 PolarHBondContact OD2-NZ 2.93Å; I226-K228 PolarHBondContact O-N 3.46Å
229	N	96.7	Very high	94.2	Very high	46 Å²	46	58.7 Å²	58.7	25%	0.246	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	11.9	-174.8	-65.3	-75.7	0	0	0	113.7	I148 I152 V225 I226 V227 E231 K232 L233	I148-N229 HydrophobicContact CG2-CB 4.05Å; I152-N229 HydrophobicContact CD1-CB 3.8Å; V225-N229 WeakPolarHBondContact O-CB 3.4Å; V225-N229 PolarHBondContact O-N 3.22Å; V225-N229 PolarHBondContact O-ND2 2.98Å; I226-N229 CarbonylContact O-C 3.57Å; I226-N229 PolarHBondContact O-N 3.22Å; V227-N229 VanDerWaalsContact C-N 3.25Å; V227-N229 PolarHBondContact O-N 2.6Å; N229-E231 VanDerWaalsContact C-N 3.29Å; N229-E231 PolarHBondContact O-N 3.03Å; N229-E231 VanDerWaalsContact O-N 3.17Å; N229-K232 PolarHBondContact O-N 2.73Å; N229-K232 VanDerWaalsContact O-N 3.08Å; N229-L233 WeakPolarHBondContact O-CB 3.45Å; N229-L233 PolarHBondContact O-N 2.82Å
230	L	96.2	Very high	92.7	Very high	41 Å²	41	63.8 Å²	63.8	22%	0.215	34%	0.336	C	S	.	.	H	α-helix	trans	-57.4	-39	-167.4	-172.5	64.1	0	0	0	113.5	L29 W130 I226 V227 L233 K234	L29-L230 HydrophobicContact CD1-CD2 4.47Å; L29-L230 HydrophobicContact CD2-CD2 4.3Å; W130-L230 HydrophobicContact CH2-CD1 3.92Å; W130-L230 HydrophobicContact CZ2-CD1 4.45Å; I226-L230 HydrophobicContact CG2-CD1 4.3Å; I226-L230 VanDerWaalsContact O-CA 3.32Å; I226-L230 WeakPolarHBondContact O-CA 3.22Å; I226-L230 WeakPolarHBondContact O-CB 3.31Å; I226-L230 PolarHBondContact O-N 3Å; V227-L230 PolarHBondContact O-N 3.33Å; L230-L233 PolarHBondContact O-N 2.9Å; L230-K234 HydrophobicContact CD1-CD 4.45Å; L230-K234 HydrophobicContact CD1-CG 4.47Å; L230-K234 HydrophobicContact CG-CD 4.47Å; L230-K234 WeakPolarHBondContact O-CB 3.49Å; L230-K234 WeakPolarHBondContact O-CG 3.44Å; L230-K234 PolarHBondContact O-N 3.41Å
231	E	94.4	Very high	90.8	Very high	137 Å²	137	67 Å²	67	64%	0.64	35%	0.354	S	S	*	.	H	α-helix	trans	-60.5	-51.5	177.3	-172.8	-160.4	132.7	0	0	111.1	N229 L233 K234 L235	N229-E231 VanDerWaalsContact C-N 3.29Å; N229-E231 PolarHBondContact O-N 3.03Å; N229-E231 VanDerWaalsContact O-N 3.17Å; E231-L233 VanDerWaalsContact C-N 3.33Å; E231-L233 PolarHBondContact O-N 3.35Å; E231-K234 PolarHBondContact O-N 2.86Å; E231-L235 PolarHBondContact O-N 3.42Å
232	K	93.7	Very high	88.7	Confident	80 Å²	80	69.2 Å²	69.2	35%	0.348	37%	0.365	S	S	.	.	H	α-helix	trans	-69.7	-32	179.8	-63.3	-56.5	179.5	-155.1	0	112.3	I148 N229 K234 L235 P236	I148-K232 HydrophobicContact CD1-CB 4.3Å; I148-K232 HydrophobicContact CD1-CG 4.26Å; N229-K232 PolarHBondContact O-N 2.73Å; N229-K232 VanDerWaalsContact O-N 3.08Å; K232-K234 VanDerWaalsContact C-N 3.33Å; K232-L235 CarbonylContact O-C 3.5Å; K232-P236 WeakPolarHBondContact O-CA 3.45Å; K232-P236 WeakPolarHBondContact O-CB 3.33Å; K232-P236 WeakPolarHBondContact O-CD 3.49Å; K232-P236 VanDerWaalsContact O-N 3.1Å
233	L	94	Very high	86.3	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-67.7	-34.9	176.6	-168	148.2	0	0	0	111.4	W130 I131 L134 Q149 I152 I226 N229 L230 E231	W130-L233 HydrophobicContact CE3-CD2 4.18Å; W130-L233 HydrophobicContact CH2-CD2 3.58Å; W130-L233 HydrophobicContact CZ2-CD2 4.04Å; W130-L233 HydrophobicContact CZ3-CD1 4.5Å; W130-L233 HydrophobicContact CZ3-CD2 3.65Å; I131-L233 HydrophobicContact CD1-CD1 4.41Å; I131-L233 HydrophobicContact CG1-CD1 4.22Å; L134-L233 HydrophobicContact CD1-CD2 3.4Å; Q149-L233 PolarHBondContact NE2-O 3.45Å; I152-L233 HydrophobicContact CD1-CD1 3.92Å; I152-L233 HydrophobicContact CG2-CD1 4.34Å; I226-L233 HydrophobicContact CG1-CD1 4.28Å; I226-L233 HydrophobicContact CG2-CD1 4.36Å; N229-L233 WeakPolarHBondContact O-CB 3.45Å; N229-L233 PolarHBondContact O-N 2.82Å; L230-L233 PolarHBondContact O-N 2.9Å; E231-L233 VanDerWaalsContact C-N 3.33Å; E231-L233 PolarHBondContact O-N 3.35Å
234	K	94.1	Very high	83.9	Confident	74 Å²	74	80.7 Å²	80.7	32%	0.322	43%	0.427	S	S	.	.	H	α-helix	trans	-84.8	-38.7	176.5	-74	-174.9	168.6	-169.8	0	114	E25 L230 E231 K232	E25-K234 WeakPolarHBondContact OE1-CE 3.41Å; E25-K234 IonicContact OE1-NZ 2.76Å; E25-K234 PolarHBondContact OE1-NZ 3.49Å; E25-K234 VanDerWaalsContact OE2-CE 3.31Å; E25-K234 WeakPolarHBondContact OE2-CE 3.03Å; E25-K234 IonicContact OE2-NZ 3.86Å; E25-K234 PolarHBondContact OE2-NZ 2.85Å; L230-K234 HydrophobicContact CD1-CD 4.45Å; L230-K234 HydrophobicContact CD1-CG 4.47Å; L230-K234 HydrophobicContact CG-CD 4.47Å; L230-K234 WeakPolarHBondContact O-CB 3.49Å; L230-K234 WeakPolarHBondContact O-CG 3.44Å; L230-K234 PolarHBondContact O-N 3.41Å; E231-K234 PolarHBondContact O-N 2.86Å; K232-K234 VanDerWaalsContact C-N 3.33Å
235	L	91.7	Very high	81.6	Confident	110 Å²	110	91.4 Å²	91.4	58%	0.576	46%	0.464	S	S	*	.			trans	-131.1	73.8	-176.9	-65.5	175.1	0	0	0	109.8	E231 K232 R237	E231-L235 PolarHBondContact O-N 3.42Å; K232-L235 CarbonylContact O-C 3.5Å; L235-R237 VanDerWaalsContact C-N 3.3Å; L235-R237 PolarHBondContact O-N 3.44Å
236	P	90.7	Very high	80.8	Confident	13 Å²	13	94.6 Å²	94.6	8%	0.084	48%	0.479	C	S	.	.			trans	-70.5	-25.8	-175.1	26.8	-36.5	0	0	0	113.4	P136 G145 V146 Q149 K232	P136-P236 HydrophobicContact CG-CG 3.85Å; G145-P236 WeakPolarHBondContact CA-O 3.13Å; V146-P236 HydrophobicContact CG2-CB 4.04Å; V146-P236 HydrophobicContact CG2-CG 4.4Å; Q149-P236 HydrophobicContact CG-CB 4.42Å; K232-P236 WeakPolarHBondContact O-CA 3.45Å; K232-P236 WeakPolarHBondContact O-CB 3.33Å; K232-P236 WeakPolarHBondContact O-CD 3.49Å; K232-P236 VanDerWaalsContact O-N 3.1Å
237	R	88.9	Confident	79.9	Confident	48 Å²	48	99.5 Å²	99.5	18%	0.181	50%	0.504	C	S	.	.	S	Bend	trans	-105	138.5	175.3	-65.1	-177.7	-172.6	-81.5	-2.8	109.7	P136 R137 E139 N143 L235 V239	P136-R237 HydrophobicContact CG-CG 4.35Å; R137-R237 PolarHBondContact O-NH2 3.45Å; E139-R237 PolarHBondContact O-NH2 2.92Å; N143-R237 PolarHBondContact OD1-NH1 3.17Å; N143-R237 PolarHBondContact OD1-NH2 3.32Å; L235-R237 VanDerWaalsContact C-N 3.3Å; L235-R237 PolarHBondContact O-N 3.44Å; R237-V239 PolarHBondContact O-N 3.08Å
238	P	80.6	Confident	78.9	Confident	83 Å²	83	101.4 Å²	101.4	54%	0.539	51%	0.51	S	S	.	.			trans	-60.5	137.6	167	26	-30.8	0	0	0	109	V240	P238-V240 PolarHBondContact O-N 2.87Å
239	V	74.6	Confident	77.7	Confident	114 Å²	114	98.7 Å²	98.7	69%	0.691	50%	0.502	S	S	*	.			trans	-64.1	110.4	168.3	-178.8	0	0	0	0	105.9	R237 V241	R237-V239 PolarHBondContact O-N 3.08Å; V239-V241 PolarHBondContact O-N 3.03Å
240	V	67.3	Low	76.5	Confident	114 Å²	114	102 Å²	102	69%	0.691	52%	0.518	S	S	*	.			trans	-64.8	98.9	166.1	-179.1	0	0	0	0	104.7	P238 D242	P238-V240 PolarHBondContact O-N 2.87Å; V240-D242 VanDerWaalsContact C-N 3.28Å; V240-D242 PolarHBondContact O-N 3.02Å
241	V	58.3	Low	75.2	Confident	105 Å²	105	106.1 Å²	106.1	64%	0.636	54%	0.539	S	S	*	.			trans	-65.8	104.5	161.8	-164	0	0	0	0	102.6	V239 N243	V239-V241 PolarHBondContact O-N 3.03Å; V241-N243 PolarHBondContact O-N 2.75Å
242	D	54.1	Low	73.9	Confident	129 Å²	129	103.9 Å²	103.9	69%	0.69	53%	0.531	S	S	*	.			trans	-56.6	97.4	164.5	-85.1	-28	0	0	0	104.9	V240 L244	V240-D242 VanDerWaalsContact C-N 3.28Å; V240-D242 PolarHBondContact O-N 3.02Å; D242-L244 HydrophobicContact CB-CG 4.41Å; D242-L244 PolarHBondContact O-N 2.74Å
243	N	49	Very low	72.3	Confident	128 Å²	128	105.7 Å²	105.7	68%	0.684	55%	0.546	S	S	*	.			trans	-67.2	77.5	162.8	-71.8	-24.3	0	0	0	104.8	V241 Y245	V241-N243 PolarHBondContact O-N 2.75Å; N243-Y245 VanDerWaalsContact C-N 3.25Å; N243-Y245 WeakPolarHBondContact O-CD2 3.44Å; N243-Y245 PolarHBondContact O-N 2.94Å
244	L	48.1	Very low	70.5	Confident	159 Å²	159	114.5 Å²	114.5	83%	0.832	59%	0.591	S	S	*	*			trans	-59.2	100	159.6	-77.9	166.9	0	0	0	105.1	D242	D242-L244 HydrophobicContact CB-CG 4.41Å; D242-L244 PolarHBondContact O-N 2.74Å
245	Y	49.1	Very low	68.4	Low	297 Å²	297	118.2 Å²	118.2	100%	1.165	62%	0.615	S	S	*	*			trans	-50.1	0	167.2	-73.7	-88	0	0	0	111.2	N243	N243-Y245 VanDerWaalsContact C-N 3.25Å; N243-Y245 WeakPolarHBondContact O-CD2 3.44Å; N243-Y245 PolarHBondContact O-N 2.94Å

Retrieved 245 of 245 residues in 275.2 ms (Link to these results)

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