A0A061IAS3_CRIGR Loading...

Elongation of very long chain fatty acids protein 3

Catalyzes the first and rate-limiting reaction of the four reactions that constitute the long-chain fatty acids elongation cycle. This endoplasmic reticulum-bound enzymatic process allows the addition of 2 carbons to the chain of long- and very long-chain fatty acids (VLCFAs) per cycle. Condensing enzyme with higher activity toward C18 acyl-CoAs, especially C18:0 acyl-CoAs. May participate to the production of saturated and monounsaturated VLCFAs of different chain lengths that are involved in multiple biological processes as precursors of membrane lipids and lipid mediators.

AlphaFold DB , UniProt , Accession A0A061IAS3, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Elovl3, Length 271 aa.

Structure Viewer

Loading PAE data...

(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	48.6	Very low	52.8	Low	195 Å²	195	106.3 Å²	106.3	96%	0.961	58%	0.583	S	S	*	*				0	-48.6	0	-113.6	176.4	-160.1	0	0	112.7	T3 S4 M5	M1-T3 PolarHBondContact O-N 3Å; M1-S4 PolarHBondContact O-N 3.48Å; M1-S4 PolarHBondContact O-OG 3.33Å; M1-M5 PolarHBondContact O-N 3.23Å
2	A	47.2	Very low	53.5	Low	70 Å²	70	102.2 Å²	102.2	58%	0.579	56%	0.556	S	S	*	*	H	α-helix	trans	-63.4	-36.6	177.7	0	0	0	0	0	114.1	M5 N6	A2-M5 PolarHBondContact O-N 2.99Å; A2-N6 WeakPolarHBondContact O-CB 3.4Å; A2-N6 VanDerWaalsContact O-CG 3.29Å; A2-N6 PolarHBondContact O-N 3.22Å
3	T	49.1	Very low	54	Low	120 Å²	120	98.2 Å²	98.2	74%	0.736	55%	0.545	S	S	*	.	H	α-helix	trans	-69.4	-36.5	-180	-3.2	0	0	0	0	113.3	M1 F7	M1-T3 PolarHBondContact O-N 3Å; T3-F7 WeakPolarHBondContact O-CB 3.36Å; T3-F7 PolarHBondContact O-N 3.31Å
4	S	49	Very low	54.6	Low	70 Å²	70	101.7 Å²	101.7	49%	0.49	56%	0.556	S	S	.	*	H	α-helix	trans	-74.8	-34.2	175.8	59	0	0	0	0	112.4	M1 S8	M1-S4 PolarHBondContact O-N 3.48Å; M1-S4 PolarHBondContact O-OG 3.33Å; S4-S8 WeakPolarHBondContact O-CB 3.44Å; S4-S8 PolarHBondContact O-N 3.12Å; S4-S8 PolarHBondContact O-OG 3.38Å
5	M	53	Low	55.3	Low	112 Å²	112	97.7 Å²	97.7	55%	0.552	53%	0.533	S	S	*	.	H	α-helix	trans	-67.6	-39.4	172.3	-80.2	177.3	66.9	0	0	112.2	M1 A2 S8 R9	M1-M5 PolarHBondContact O-N 3.23Å; A2-M5 PolarHBondContact O-N 2.99Å; M5-S8 PolarHBondContact O-N 3.18Å; M5-R9 WeakPolarHBondContact O-CB 3.42Å; M5-R9 PolarHBondContact O-N 3.16Å
6	N	50.3	Low	56.6	Low	106 Å²	106	93.6 Å²	93.6	57%	0.567	51%	0.51	S	S	*	.	H	α-helix	trans	-70.8	-36.6	177.1	-74.2	-9.4	0	0	0	112.5	A2 G10	A2-N6 WeakPolarHBondContact O-CB 3.4Å; A2-N6 VanDerWaalsContact O-CG 3.29Å; A2-N6 PolarHBondContact O-N 3.22Å; N6-G10 PolarHBondContact O-N 3.46Å
7	F	56.3	Low	58.2	Low	151 Å²	151	94.8 Å²	94.8	66%	0.662	51%	0.512	S	S	*	.	H	α-helix	trans	-66.1	-42.3	173.3	-175.7	-100.2	0	0	0	112	T3 G10 L11	T3-F7 WeakPolarHBondContact O-CB 3.36Å; T3-F7 PolarHBondContact O-N 3.31Å; F7-G10 PolarHBondContact O-N 2.88Å; F7-L11 WeakPolarHBondContact O-CB 3.34Å; F7-L11 PolarHBondContact O-N 2.79Å
8	S	55.5	Low	59.8	Low	57 Å²	57	91.8 Å²	91.8	40%	0.399	50%	0.498	S	S	.	.	H	α-helix	trans	-64.6	-41.8	176.7	-54.3	0	0	0	0	111.6	S4 M5 L11 E12	S4-S8 WeakPolarHBondContact O-CB 3.44Å; S4-S8 PolarHBondContact O-N 3.12Å; S4-S8 PolarHBondContact O-OG 3.38Å; M5-S8 PolarHBondContact O-N 3.18Å; S8-L11 PolarHBondContact O-N 3.46Å; S8-E12 WeakPolarHBondContact O-CB 3.45Å; S8-E12 WeakPolarHBondContact O-CG 3.24Å; S8-E12 PolarHBondContact O-N 3.5Å
9	R	57	Low	61.2	Low	164 Å²	164	93.7 Å²	93.7	62%	0.619	50%	0.498	S	S	*	.	H	α-helix	trans	-63.9	-38.7	173.2	-90.2	-176.2	177	165.9	-1.4	113.9	M5 A13	M5-R9 WeakPolarHBondContact O-CB 3.42Å; M5-R9 PolarHBondContact O-N 3.16Å; R9-A13 WeakPolarHBondContact O-CB 3.26Å; R9-A13 PolarHBondContact O-N 2.99Å
10	G	57.1	Low	62.5	Low	39 Å²	39	96.1 Å²	96.1	40%	0.402	51%	0.511	S	S	.	.	H	α-helix	trans	-66	-42.6	176.3	0	0	0	0	0	112.2	N6 F7 A13 E14	N6-G10 PolarHBondContact O-N 3.46Å; F7-G10 PolarHBondContact O-N 2.88Å; G10-A13 PolarHBondContact O-N 3.48Å; G10-E14 PolarHBondContact O-N 3.32Å; G10-E14 VanDerWaalsContact O-N 3.09Å
11	L	58	Low	63.6	Low	85 Å²	85	96.3 Å²	96.3	45%	0.445	51%	0.508	S	S	.	.	H	α-helix	trans	-66.6	-42.3	175.1	-160.6	85.2	0	0	0	111.4	F7 S8 A13 E14 L15	F7-L11 WeakPolarHBondContact O-CB 3.34Å; F7-L11 PolarHBondContact O-N 2.79Å; S8-L11 PolarHBondContact O-N 3.46Å; L11-A13 VanDerWaalsContact C-N 3.33Å; L11-A13 PolarHBondContact O-N 2.98Å; L11-E14 PolarHBondContact O-N 3.14Å; L11-L15 HydrophobicContact CD2-CD1 3.9Å; L11-L15 HydrophobicContact CG-CD1 3.84Å; L11-L15 HydrophobicContact CG-CG 4.3Å; L11-L15 VanDerWaalsContact O-CB 3.25Å; L11-L15 WeakPolarHBondContact O-CB 3.36Å; L11-L15 WeakPolarHBondContact O-CD1 3.33Å; L11-L15 WeakPolarHBondContact O-CG 3.28Å; L11-L15 PolarHBondContact O-N 3.29Å
12	E	60.4	Low	65.5	Low	57 Å²	57	87.2 Å²	87.2	27%	0.266	46%	0.463	S	S	.	.	H	α-helix	trans	-57.7	-45	173.6	-78.9	168.8	-154.1	0	0	112.1	S8 L15 I16 T92 T96	S8-E12 WeakPolarHBondContact O-CB 3.45Å; S8-E12 WeakPolarHBondContact O-CG 3.24Å; S8-E12 PolarHBondContact O-N 3.5Å; E12-L15 PolarHBondContact O-N 2.83Å; E12-I16 WeakPolarHBondContact O-CB 2.92Å; E12-I16 PolarHBondContact O-N 2.64Å; E12-I16 VanDerWaalsContact O-N 3.13Å; E12-T92 HydrophobicContact CG-CG2 3.93Å; E12-T96 VanDerWaalsContact CD-CG2 3.45Å; E12-T96 HydrophobicContact CG-CG2 3.77Å; E12-T96 WeakPolarHBondContact OE1-CB 3.43Å; E12-T96 WeakPolarHBondContact OE1-CG2 3.45Å
13	A	60.3	Low	67.2	Low	50 Å²	50	89.5 Å²	89.5	41%	0.413	46%	0.463	S	S	.	.	H	α-helix	trans	-63	-43.8	178.8	0	0	0	0	0	111.5	R9 G10 L11 Q17	R9-A13 WeakPolarHBondContact O-CB 3.26Å; R9-A13 PolarHBondContact O-N 2.99Å; G10-A13 PolarHBondContact O-N 3.48Å; L11-A13 VanDerWaalsContact C-N 3.33Å; L11-A13 PolarHBondContact O-N 2.98Å; A13-Q17 WeakPolarHBondContact O-CG 2.79Å; A13-Q17 PolarHBondContact O-N 3.01Å; A13-Q17 PolarHBondContact O-NE2 3.4Å
14	E	62.2	Low	68.2	Low	148 Å²	148	88 Å²	88	69%	0.692	46%	0.457	S	S	*	.	H	α-helix	trans	-68.6	-34.4	173.9	-79.6	-166.1	153.1	0	0	112.9	G10 L11 I16	G10-E14 PolarHBondContact O-N 3.32Å; G10-E14 VanDerWaalsContact O-N 3.09Å; L11-E14 PolarHBondContact O-N 3.14Å; E14-I16 VanDerWaalsContact C-N 3.28Å; E14-I16 PolarHBondContact O-N 3.13Å
15	L	66	Low	69.4	Low	41 Å²	41	91.2 Å²	91.2	22%	0.215	47%	0.465	C	S	.	.	H	α-helix	trans	-68.9	-29.6	-176.8	-74.3	167.7	0	0	0	112.6	L11 E12 R88	L11-L15 HydrophobicContact CD2-CD1 3.9Å; L11-L15 HydrophobicContact CG-CD1 3.84Å; L11-L15 HydrophobicContact CG-CG 4.3Å; L11-L15 VanDerWaalsContact O-CB 3.25Å; L11-L15 WeakPolarHBondContact O-CB 3.36Å; L11-L15 WeakPolarHBondContact O-CD1 3.33Å; L11-L15 WeakPolarHBondContact O-CG 3.28Å; L11-L15 PolarHBondContact O-N 3.29Å; E12-L15 PolarHBondContact O-N 2.83Å; L15-R88 VanDerWaalsContact CA-NH2 3.32Å; L15-R88 VanDerWaalsContact CD2-NH1 3.31Å; L15-R88 PolarHBondContact O-NE 2.86Å; L15-R88 PolarHBondContact O-NH2 3.17Å
16	I	75.6	Confident	70.6	Confident	33 Å²	33	89.4 Å²	89.4	17%	0.169	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	11.1	-171.7	-59.5	173.1	0	0	0	112.4	E12 E14 P18 Y89 T92 I113	E12-I16 WeakPolarHBondContact O-CB 2.92Å; E12-I16 PolarHBondContact O-N 2.64Å; E12-I16 VanDerWaalsContact O-N 3.13Å; E14-I16 VanDerWaalsContact C-N 3.28Å; E14-I16 PolarHBondContact O-N 3.13Å; I16-P18 WeakPolarHBondContact O-CD 3.27Å; I16-Y89 HydrophobicContact CB-CD2 4.46Å; I16-Y89 HydrophobicContact CB-CE2 4.45Å; I16-Y89 HydrophobicContact CG1-CD2 4.23Å; I16-Y89 HydrophobicContact CG1-CE2 4.45Å; I16-Y89 HydrophobicContact CG2-CD2 3.64Å; I16-Y89 HydrophobicContact CG2-CE2 3.26Å; I16-T92 HydrophobicContact CD1-CG2 3.61Å; I16-T92 HydrophobicContact CG1-CG2 4.24Å; I16-I113 HydrophobicContact CG2-CD1 3.95Å; I16-I113 WeakPolarHBondContact O-CD1 3.41Å
17	Q	84.2	Confident	72.2	Confident	114 Å²	114	86.7 Å²	86.7	53%	0.533	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-61.6	126.3	174.5	-76.1	-49.5	-56.4	0	0	111.4	A13 R85	A13-Q17 WeakPolarHBondContact O-CG 2.79Å; A13-Q17 PolarHBondContact O-N 3.01Å; A13-Q17 PolarHBondContact O-NE2 3.4Å; Q17-R85 PolarHBondContact O-NH2 3.03Å
18	P	85.8	Confident	73.5	Confident	41 Å²	41	79.7 Å²	79.7	27%	0.266	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-69.8	144.9	175.2	29	-33.4	0	0	0	110.8	I16 E22 M23 T112 I113	I16-P18 WeakPolarHBondContact O-CD 3.27Å; P18-E22 WeakPolarHBondContact CA-OE2 3.47Å; P18-M23 HydrophobicContact CB-CG 4.2Å; P18-M23 HydrophobicContact CG-CG 4.4Å; P18-M23 HydrophobicContact CG-SD 4.25Å; P18-T112 HydrophobicContact CB-CG2 4.43Å; P18-I113 HydrophobicContact CB-CG1 4.07Å
19	Y	87.8	Confident	74.8	Confident	128 Å²	128	80.8 Å²	80.8	50%	0.502	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-80.2	155.5	168.9	-63.6	-69.1	0	0	0	110.8	F21 E22 M23	Y19-F21 AromaticContact CD2-CE1 3.72Å; Y19-F21 HydrophobicContact CD2-CE1 3.72Å; Y19-F21 AromaticContact CD2-CZ 3.71Å; Y19-F21 HydrophobicContact CD2-CZ 3.71Å; Y19-F21 HydrophobicContact CG-CD1 4.36Å; Y19-F21 AromaticContact CG-CE1 3.61Å; Y19-F21 HydrophobicContact CG-CE1 3.61Å; Y19-F21 HydrophobicContact CG-CZ 4.07Å; Y19-F21 PolarHBondContact O-N 2.88Å; Y19-F21 VanDerWaalsContact O-N 3.1Å; Y19-E22 PolarHBondContact N-OE2 3.01Å; Y19-E22 WeakPolarHBondContact O-CB 3.48Å; Y19-E22 PolarHBondContact O-N 3.47Å; Y19-M23 PolarHBondContact O-N 2.95Å
20	N	86.2	Confident	75.9	Confident	140 Å²	140	79.5 Å²	79.5	75%	0.749	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-34.8	179	-67.8	-16.6	0	0	0	113.4	E22 M23 S24	N20-E22 VanDerWaalsContact C-N 3.34Å; N20-M23 PolarHBondContact O-N 3.24Å; N20-S24 PolarHBondContact O-N 2.83Å
21	F	86.4	Confident	77.2	Confident	101 Å²	101	77.8 Å²	77.8	44%	0.443	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-23.3	177.8	70.2	-99.6	0	0	0	113.3	Y19 S24 F116	Y19-F21 AromaticContact CD2-CE1 3.72Å; Y19-F21 HydrophobicContact CD2-CE1 3.72Å; Y19-F21 AromaticContact CD2-CZ 3.71Å; Y19-F21 HydrophobicContact CD2-CZ 3.71Å; Y19-F21 HydrophobicContact CG-CD1 4.36Å; Y19-F21 AromaticContact CG-CE1 3.61Å; Y19-F21 HydrophobicContact CG-CE1 3.61Å; Y19-F21 HydrophobicContact CG-CZ 4.07Å; Y19-F21 PolarHBondContact O-N 2.88Å; Y19-F21 VanDerWaalsContact O-N 3.1Å; F21-S24 PolarHBondContact O-OG 3.48Å; F21-F116 AromaticContact CD2-CE1 3.82Å; F21-F116 HydrophobicContact CD2-CE1 3.82Å; F21-F116 HydrophobicContact CD2-CE2 4.41Å; F21-F116 AromaticContact CD2-CZ 3.7Å; F21-F116 HydrophobicContact CD2-CZ 3.7Å; F21-F116 HydrophobicContact CE2-CD1 4.43Å; F21-F116 AromaticContact CE2-CE1 3.74Å; F21-F116 HydrophobicContact CE2-CE1 3.74Å; F21-F116 HydrophobicContact CE2-CZ 4.11Å; F21-F116 VanDerWaalsContact O-CE2 3.32Å; F21-F116 WeakPolarHBondContact O-CE2 3.35Å
22	E	87.7	Confident	78.2	Confident	4 Å²	4	76 Å²	76	2%	0.019	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-19.6	174.8	-61	174.1	142.5	0	0	110.4	P18 Y19 N20 R85 T112 F116 W117	P18-E22 WeakPolarHBondContact CA-OE2 3.47Å; Y19-E22 PolarHBondContact N-OE2 3.01Å; Y19-E22 WeakPolarHBondContact O-CB 3.48Å; Y19-E22 PolarHBondContact O-N 3.47Å; N20-E22 VanDerWaalsContact C-N 3.34Å; E22-R85 IonicContact OE1-CZ 3.74Å; E22-R85 IonicContact OE1-NE 2.93Å; E22-R85 PolarHBondContact OE1-NE 3.48Å; E22-R85 IonicContact OE1-NH2 3.63Å; E22-R85 IonicContact OE2-CZ 3.57Å; E22-R85 IonicContact OE2-NE 3.54Å; E22-R85 IonicContact OE2-NH2 2.73Å; E22-R85 PolarHBondContact OE2-NH2 3.27Å; E22-T112 WeakPolarHBondContact O-CG2 3.43Å; E22-F116 HydrophobicContact CB-CB 4.19Å; E22-F116 HydrophobicContact CB-CD1 4.34Å; E22-F116 HydrophobicContact CB-CG 4.15Å; E22-F116 HydrophobicContact CG-CD1 3.88Å; E22-F116 HydrophobicContact CG-CE1 4.3Å; E22-F116 HydrophobicContact CG-CG 4.22Å; E22-W117 PolarHBondContact OE1-NE1 3.43Å
23	M	83.5	Confident	79.1	Confident	119 Å²	119	80.6 Å²	80.6	59%	0.586	41%	0.41	S	S	*	.	S	Bend	trans	-91.3	-10.4	177.4	-58.3	178.6	66.7	0	0	113.5	P18 Y19 N20 Q25 T112	P18-M23 HydrophobicContact CB-CG 4.2Å; P18-M23 HydrophobicContact CG-CG 4.4Å; P18-M23 HydrophobicContact CG-SD 4.25Å; Y19-M23 PolarHBondContact O-N 2.95Å; N20-M23 PolarHBondContact O-N 3.24Å; M23-Q25 PolarHBondContact O-N 3.26Å; M23-T112 HydrophobicContact CG-CG2 4.04Å
24	S	69.6	Low	79.9	Confident	87 Å²	87	79.4 Å²	79.4	61%	0.608	40%	0.395	S	S	*	.	S	Bend	trans	-77.4	-19.4	-161.3	64.5	0	0	0	0	114.9	N20 F21	N20-S24 PolarHBondContact O-N 2.83Å; F21-S24 PolarHBondContact O-OG 3.48Å
25	Q	74.1	Confident	81	Confident	139 Å²	139	74.3 Å²	74.3	65%	0.65	37%	0.37	S	S	*	.			trans	-165.2	134.4	172.5	-151.8	167.3	-1.7	0	0	113.3	M23 L27	M23-Q25 PolarHBondContact O-N 3.26Å; Q25-L27 PolarHBondContact O-N 2.91Å
26	D	79.6	Confident	82	Confident	74 Å²	74	77 Å²	77	40%	0.396	39%	0.387	S	S	.	.			trans	-85.3	102.5	170.4	-170.1	8.5	0	0	0	110.4	R28 P29 K115	D26-R28 VanDerWaalsContact C-N 3.27Å; D26-R28 PolarHBondContact O-N 3.18Å; D26-R28 VanDerWaalsContact OD1-CB 3.24Å; D26-R28 WeakPolarHBondContact OD1-CB 3.42Å; D26-R28 VanDerWaalsContact OD1-CG 3.24Å; D26-R28 WeakPolarHBondContact OD1-CG 3.34Å; D26-R28 PolarHBondContact OD1-N 3.25Å; D26-R28 VanDerWaalsContact OD1-N 3.13Å; D26-P29 WeakPolarHBondContact O-CD 3.38Å; D26-K115 VanDerWaalsContact CG-NZ 3.33Å; D26-K115 WeakPolarHBondContact OD1-CE 3.46Å; D26-K115 IonicContact OD1-NZ 2.66Å; D26-K115 VanDerWaalsContact OD2-CE 3.29Å; D26-K115 WeakPolarHBondContact OD2-CE 3.48Å; D26-K115 IonicContact OD2-NZ 3.51Å; D26-K115 PolarHBondContact OD2-NZ 2.94Å
27	L	83.8	Confident	82.6	Confident	49 Å²	49	77.9 Å²	77.9	26%	0.257	40%	0.397	S	S	.	.			trans	-80.4	-6.3	178.3	-65.7	174.2	0	0	0	113.2	Q25 F30 L31 L123	Q25-L27 PolarHBondContact O-N 2.91Å; L27-F30 PolarHBondContact O-N 2.93Å; L27-L31 HydrophobicContact CB-CD1 4.17Å; L27-L31 WeakPolarHBondContact O-CG 3.19Å; L27-L31 PolarHBondContact O-N 2.92Å; L27-L31 VanDerWaalsContact O-N 3.08Å; L27-L123 HydrophobicContact CD1-CD1 4.33Å
28	R	82.5	Confident	83.1	Confident	4 Å²	4	72.4 Å²	72.4	2%	0.015	37%	0.371	C	S	.	.	H	α-helix	trans	-57.7	-46.6	-175.6	-72.3	179.3	170.3	-165.7	-8.1	114.5	D26 F30 L31 D32 I109 D110 K115 F161	D26-R28 VanDerWaalsContact C-N 3.27Å; D26-R28 PolarHBondContact O-N 3.18Å; D26-R28 VanDerWaalsContact OD1-CB 3.24Å; D26-R28 WeakPolarHBondContact OD1-CB 3.42Å; D26-R28 VanDerWaalsContact OD1-CG 3.24Å; D26-R28 WeakPolarHBondContact OD1-CG 3.34Å; D26-R28 PolarHBondContact OD1-N 3.25Å; D26-R28 VanDerWaalsContact OD1-N 3.13Å; R28-F30 VanDerWaalsContact C-N 3.26Å; R28-F30 PolarHBondContact O-N 3.36Å; R28-L31 CarbonylContact O-C 3.56Å; R28-L31 PolarHBondContact O-N 2.99Å; R28-D32 WeakPolarHBondContact O-CB 3.4Å; R28-D32 VanDerWaalsContact O-CG 3.31Å; R28-D32 PolarHBondContact O-N 2.9Å; R28-I109 VanDerWaalsContact CZ-O 3.27Å; R28-I109 PolarHBondContact NH1-O 3.35Å; R28-I109 PolarHBondContact NH2-O 3.16Å; R28-D110 IonicContact NH1-OD1 3.27Å; R28-D110 PolarHBondContact NH1-OD1 2.91Å; R28-K115 VanDerWaalsContact CD-CE 3.42Å; R28-F161 HydrophobicContact CB-CE1 4.46Å; R28-F161 HydrophobicContact CB-CZ 4.29Å; R28-F161 HydrophobicContact CG-CE1 4.21Å; R28-F161 HydrophobicContact CG-CE2 4.48Å; R28-F161 HydrophobicContact CG-CZ 3.64Å
29	P	82.3	Confident	83.5	Confident	80 Å²	80	75.5 Å²	75.5	52%	0.519	38%	0.381	S	S	.	.	H	α-helix	trans	-58.4	-41.4	-177.5	-24.3	35.1	0	0	0	112.2	D26	D26-P29 WeakPolarHBondContact O-CD 3.38Å
30	F	81.6	Confident	83.8	Confident	137 Å²	137	74.7 Å²	74.7	60%	0.601	38%	0.384	S	S	*	.	H	α-helix	trans	-66.3	-40.8	176.2	177.7	-99.5	0	0	0	112.3	L27 R28 Y34	L27-F30 PolarHBondContact O-N 2.93Å; R28-F30 VanDerWaalsContact C-N 3.26Å; R28-F30 PolarHBondContact O-N 3.36Å; F30-Y34 PolarHBondContact O-N 3.42Å
31	L	83.6	Confident	84.3	Confident	3 Å²	3	70.1 Å²	70.1	2%	0.016	36%	0.36	C	S	.	.	H	α-helix	trans	-77.6	-21.4	-179	-69	176.9	0	0	0	113.9	L27 R28 Y34 S119 V122 L123 F161	L27-L31 HydrophobicContact CB-CD1 4.17Å; L27-L31 WeakPolarHBondContact O-CG 3.19Å; L27-L31 PolarHBondContact O-N 2.92Å; L27-L31 VanDerWaalsContact O-N 3.08Å; R28-L31 CarbonylContact O-C 3.56Å; R28-L31 PolarHBondContact O-N 2.99Å; L31-Y34 HydrophobicContact CD2-CD1 4.49Å; L31-Y34 HydrophobicContact CD2-CG 4.33Å; L31-Y34 VanDerWaalsContact O-CB 3.29Å; L31-Y34 WeakPolarHBondContact O-CB 3.39Å; L31-Y34 PolarHBondContact O-N 3.22Å; L31-S119 VanDerWaalsContact CD1-CA 3.49Å; L31-S119 VanDerWaalsContact CD1-CB 3.45Å; L31-V122 HydrophobicContact CD2-CG1 4.46Å; L31-L123 HydrophobicContact CD1-CG 4.48Å; L31-L123 HydrophobicContact CD2-CD2 3.79Å; L31-L123 HydrophobicContact CD2-CG 4.11Å; L31-F161 HydrophobicContact CB-CD1 4.08Å; L31-F161 HydrophobicContact CB-CE1 3.39Å; L31-F161 HydrophobicContact CB-CZ 3.88Å; L31-F161 HydrophobicContact CD1-CE1 4.21Å; L31-F161 HydrophobicContact CD1-CE2 4.45Å; L31-F161 HydrophobicContact CD1-CZ 3.83Å; L31-F161 HydrophobicContact CG-CE1 4.47Å
32	D	79.8	Confident	84.8	Confident	46 Å²	46	66 Å²	66	25%	0.246	34%	0.342	C	S	.	.	H	α-helix	trans	-70.3	-38	174.4	-75.3	-17.6	0	0	0	110.7	R28 Y34 R164	R28-D32 WeakPolarHBondContact O-CB 3.4Å; R28-D32 VanDerWaalsContact O-CG 3.31Å; R28-D32 PolarHBondContact O-N 2.9Å; D32-Y34 VanDerWaalsContact C-N 3.29Å; D32-R164 IonicContact OD1-NH2 3.05Å; D32-R164 IonicContact OD2-CZ 3.71Å; D32-R164 IonicContact OD2-NH2 3.71Å; D32-R164 PolarHBondContact OD2-NH2 2.82Å
33	E	77.8	Confident	85.3	Confident	154 Å²	154	71.2 Å²	71.2	72%	0.72	37%	0.37	S	S	*	.	H	α-helix	trans	-68.2	-30.9	169.8	-67.4	-175.4	-179.5	0	0	112.1	W35 V36	E33-W35 PolarHBondContact O-N 3.14Å; E33-V36 PolarHBondContact O-N 3.35Å
34	Y	79	Confident	85.9	Confident	25 Å²	25	69 Å²	69	10%	0.098	36%	0.363	C	S	.	.	H	α-helix	trans	-64.3	-22.4	-178.5	-176.8	-93.8	0	0	0	114.2	F30 L31 D32 V36 S37 S38 I41 V122 I126	F30-Y34 PolarHBondContact O-N 3.42Å; L31-Y34 HydrophobicContact CD2-CD1 4.49Å; L31-Y34 HydrophobicContact CD2-CG 4.33Å; L31-Y34 VanDerWaalsContact O-CB 3.29Å; L31-Y34 WeakPolarHBondContact O-CB 3.39Å; L31-Y34 PolarHBondContact O-N 3.22Å; D32-Y34 VanDerWaalsContact C-N 3.29Å; Y34-V36 VanDerWaalsContact C-N 3.26Å; Y34-V36 PolarHBondContact O-N 3.44Å; Y34-S37 CarbonylContact O-C 3.57Å; Y34-S37 WeakPolarHBondContact O-CA 3.42Å; Y34-S37 WeakPolarHBondContact O-CB 3.33Å; Y34-S37 PolarHBondContact O-N 2.97Å; Y34-S38 PolarHBondContact O-N 3.24Å; Y34-I41 HydrophobicContact CE2-CD1 3.47Å; Y34-I41 VanDerWaalsContact CE2-CD1 3.47Å; Y34-I41 VanDerWaalsContact CZ-CD1 3.47Å; Y34-I41 WeakPolarHBondContact OH-CD1 3.33Å; Y34-V122 HydrophobicContact CD1-CG1 4.39Å; Y34-V122 HydrophobicContact CE1-CG1 4.47Å; Y34-I126 HydrophobicContact CE1-CD1 3.96Å; Y34-I126 HydrophobicContact CE1-CG1 4.4Å; Y34-I126 HydrophobicContact CE2-CD1 3.96Å; Y34-I126 WeakPolarHBondContact OH-CD1 3.46Å; Y34-I126 WeakPolarHBondContact OH-CG1 3.37Å
35	W	83.5	Confident	87.3	Confident	41 Å²	41	65.5 Å²	65.5	16%	0.155	34%	0.337	C	S	.	.	H	α-helix	trans	-49.5	-46	177	161.2	-115.5	0	0	0	112.8	E33 S37 S38 F39 L155 S158 F159 K162	E33-W35 PolarHBondContact O-N 3.14Å; W35-S37 VanDerWaalsContact C-N 3.35Å; W35-S38 WeakPolarHBondContact O-CB 3.34Å; W35-S38 PolarHBondContact O-N 2.81Å; W35-S38 PolarHBondContact O-OG 2.97Å; W35-F39 HydrophobicContact CD2-CE2 4.37Å; W35-F39 AromaticContact CE2-CE2 3.91Å; W35-F39 HydrophobicContact CE3-CE2 4.33Å; W35-F39 AromaticContact CH2-CE2 3.5Å; W35-F39 HydrophobicContact CH2-CE2 3.5Å; W35-F39 VanDerWaalsContact CH2-CE2 3.5Å; W35-F39 AromaticContact CH2-CZ 3.5Å; W35-F39 HydrophobicContact CH2-CZ 3.5Å; W35-F39 AromaticContact CZ2-CE2 3.52Å; W35-F39 HydrophobicContact CZ2-CE2 3.52Å; W35-F39 AromaticContact CZ2-CZ 3.73Å; W35-F39 HydrophobicContact CZ2-CZ 3.73Å; W35-F39 AromaticContact CZ3-CE2 3.88Å; W35-F39 HydrophobicContact CZ3-CE2 3.88Å; W35-F39 HydrophobicContact CZ3-CZ 4.18Å; W35-L155 HydrophobicContact CZ3-CB 4.46Å; W35-L155 WeakPolarHBondContact CZ3-O 3.46Å; W35-S158 VanDerWaalsContact CE3-C 3.48Å; W35-F159 HydrophobicContact CD2-CB 4.49Å; W35-F159 HydrophobicContact CE3-CB 3.96Å; W35-F159 HydrophobicContact CH2-CB 3.51Å; W35-F159 AromaticContact CH2-CD2 3.81Å; W35-F159 HydrophobicContact CH2-CD2 3.81Å; W35-F159 HydrophobicContact CH2-CG 4.09Å; W35-F159 HydrophobicContact CZ2-CB 4.08Å; W35-F159 AromaticContact CZ2-CD2 3.58Å; W35-F159 HydrophobicContact CZ2-CD2 3.58Å; W35-F159 HydrophobicContact CZ2-CG 4.3Å; W35-F159 HydrophobicContact CZ3-CB 3.49Å; W35-F159 VanDerWaalsContact CZ3-CB 3.49Å; W35-K162 HydrophobicContact CB-CB 4.08Å; W35-K162 HydrophobicContact CB-CD 3.7Å; W35-K162 HydrophobicContact CB-CG 4.45Å; W35-K162 HydrophobicContact CG-CB 4.36Å; W35-K162 HydrophobicContact CG-CD 3.57Å
36	V	86.8	Confident	88.4	Confident	97 Å²	97	61.6 Å²	61.6	59%	0.588	32%	0.32	S	S	*	.	H	α-helix	trans	-68.7	-38.7	-179.9	-178.1	0	0	0	0	110.7	E33 Y34 S38 F39	E33-V36 PolarHBondContact O-N 3.35Å; Y34-V36 VanDerWaalsContact C-N 3.26Å; Y34-V36 PolarHBondContact O-N 3.44Å; V36-S38 PolarHBondContact O-N 3.24Å; V36-F39 PolarHBondContact O-N 2.9Å
37	S	90.1	Very high	89.3	Confident	52 Å²	52	62.9 Å²	62.9	36%	0.364	33%	0.326	S	S	.	.	H	α-helix	trans	-63.3	-25.2	176.4	-58.1	0	0	0	0	113.3	Y34 W35 F39 L40 I41	Y34-S37 CarbonylContact O-C 3.57Å; Y34-S37 WeakPolarHBondContact O-CA 3.42Å; Y34-S37 WeakPolarHBondContact O-CB 3.33Å; Y34-S37 PolarHBondContact O-N 2.97Å; W35-S37 VanDerWaalsContact C-N 3.35Å; S37-F39 VanDerWaalsContact C-N 3.25Å; S37-F39 PolarHBondContact O-N 3.36Å; S37-L40 WeakPolarHBondContact O-CB 3.2Å; S37-L40 PolarHBondContact O-N 3.36Å; S37-L40 VanDerWaalsContact O-N 3.14Å; S37-I41 WeakPolarHBondContact O-CG1 3.44Å; S37-I41 PolarHBondContact O-N 2.65Å
38	S	93.3	Very high	89.9	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-59.1	-35.1	177.9	75.5	0	0	0	0	112.8	Y34 W35 V36 I41 V42 L155	Y34-S38 PolarHBondContact O-N 3.24Å; W35-S38 WeakPolarHBondContact O-CB 3.34Å; W35-S38 PolarHBondContact O-N 2.81Å; W35-S38 PolarHBondContact O-OG 2.97Å; V36-S38 PolarHBondContact O-N 3.24Å; S38-I41 PolarHBondContact O-N 3.49Å; S38-V42 WeakPolarHBondContact O-CG2 3.36Å; S38-V42 PolarHBondContact O-N 2.9Å; S38-L155 WeakPolarHBondContact OG-CD2 3.23Å
39	F	94.4	Very high	90.7	Very high	105 Å²	105	65.9 Å²	65.9	46%	0.461	34%	0.342	S	S	.	.	H	α-helix	trans	-65.2	-44.7	174.7	-69.9	-85.5	0	0	0	112.3	W35 V36 S37 I41 V42 L43 L155	W35-F39 HydrophobicContact CD2-CE2 4.37Å; W35-F39 AromaticContact CE2-CE2 3.91Å; W35-F39 HydrophobicContact CE3-CE2 4.33Å; W35-F39 AromaticContact CH2-CE2 3.5Å; W35-F39 HydrophobicContact CH2-CE2 3.5Å; W35-F39 VanDerWaalsContact CH2-CE2 3.5Å; W35-F39 AromaticContact CH2-CZ 3.5Å; W35-F39 HydrophobicContact CH2-CZ 3.5Å; W35-F39 AromaticContact CZ2-CE2 3.52Å; W35-F39 HydrophobicContact CZ2-CE2 3.52Å; W35-F39 AromaticContact CZ2-CZ 3.73Å; W35-F39 HydrophobicContact CZ2-CZ 3.73Å; W35-F39 AromaticContact CZ3-CE2 3.88Å; W35-F39 HydrophobicContact CZ3-CE2 3.88Å; W35-F39 HydrophobicContact CZ3-CZ 4.18Å; V36-F39 PolarHBondContact O-N 2.9Å; S37-F39 VanDerWaalsContact C-N 3.25Å; S37-F39 PolarHBondContact O-N 3.36Å; F39-I41 VanDerWaalsContact C-N 3.28Å; F39-I41 PolarHBondContact O-N 3.05Å; F39-V42 PolarHBondContact O-N 2.96Å; F39-L43 PolarHBondContact O-N 2.69Å; F39-L155 HydrophobicContact CD1-CD1 4.34Å; F39-L155 HydrophobicContact CD1-CD2 3.85Å; F39-L155 HydrophobicContact CD2-CD2 4.37Å; F39-L155 HydrophobicContact CE1-CD1 4.23Å; F39-L155 HydrophobicContact CE1-CD2 4.11Å; F39-L155 HydrophobicContact CG-CD2 4Å; F39-L155 HydrophobicContact CZ-CD2 4.47Å
40	L	95.3	Very high	91.4	Very high	111 Å²	111	67.8 Å²	67.8	58%	0.581	35%	0.347	S	S	*	.	H	α-helix	trans	-61.2	-41.5	176.1	-174.5	75.6	0	0	0	110.6	S37 L43 V44	S37-L40 WeakPolarHBondContact O-CB 3.2Å; S37-L40 PolarHBondContact O-N 3.36Å; S37-L40 VanDerWaalsContact O-N 3.14Å; L40-L43 WeakPolarHBondContact O-CB 3.36Å; L40-L43 PolarHBondContact O-N 3.24Å; L40-V44 WeakPolarHBondContact O-CG2 3.13Å; L40-V44 PolarHBondContact O-N 3.07Å
41	I	95.6	Very high	92.1	Very high	45 Å²	45	65.1 Å²	65.1	23%	0.231	34%	0.342	C	S	.	.	H	α-helix	trans	-67.7	-39.5	-179.2	-69.9	167.5	0	0	0	111.2	Y34 S37 S38 F39 V44 Y45 L129 L154	Y34-I41 HydrophobicContact CE2-CD1 3.47Å; Y34-I41 VanDerWaalsContact CE2-CD1 3.47Å; Y34-I41 VanDerWaalsContact CZ-CD1 3.47Å; Y34-I41 WeakPolarHBondContact OH-CD1 3.33Å; S37-I41 WeakPolarHBondContact O-CG1 3.44Å; S37-I41 PolarHBondContact O-N 2.65Å; S38-I41 PolarHBondContact O-N 3.49Å; F39-I41 VanDerWaalsContact C-N 3.28Å; F39-I41 PolarHBondContact O-N 3.05Å; I41-V44 PolarHBondContact O-N 3Å; I41-Y45 WeakPolarHBondContact O-CB 3.23Å; I41-Y45 PolarHBondContact O-N 3.48Å; I41-L129 HydrophobicContact CG2-CD1 3.99Å; I41-L154 HydrophobicContact CB-CD2 4.46Å; I41-L154 HydrophobicContact CG2-CD2 3.78Å
42	V	97.1	Very high	92.7	Very high	13 Å²	13	65.9 Å²	65.9	8%	0.079	35%	0.35	C	S	.	.	H	α-helix	trans	-63.1	-42.7	171.8	170.2	0	0	0	0	111.3	S38 F39 V44 Y45 L46 L154 L155	S38-V42 WeakPolarHBondContact O-CG2 3.36Å; S38-V42 PolarHBondContact O-N 2.9Å; F39-V42 PolarHBondContact O-N 2.96Å; V42-V44 PolarHBondContact O-N 3.21Å; V42-Y45 WeakPolarHBondContact O-CB 3.34Å; V42-Y45 PolarHBondContact O-N 3.33Å; V42-L46 HydrophobicContact CG1-CD1 4.12Å; V42-L46 HydrophobicContact CG1-CG 4.3Å; V42-L46 WeakPolarHBondContact O-CG 3.34Å; V42-L46 PolarHBondContact O-N 3.06Å; V42-L154 HydrophobicContact CG2-CB 4.48Å; V42-L154 HydrophobicContact CG2-CD2 3.94Å; V42-L154 HydrophobicContact CG2-CG 4.43Å; V42-L155 HydrophobicContact CB-CD2 4.44Å; V42-L155 HydrophobicContact CG2-CD1 4.41Å; V42-L155 HydrophobicContact CG2-CD2 3.82Å; V42-L155 HydrophobicContact CG2-CG 3.89Å
43	L	97.1	Very high	93.5	Very high	114 Å²	114	67.8 Å²	67.8	60%	0.597	36%	0.357	S	S	*	.	H	α-helix	trans	-60	-47.2	176.9	-179.4	65	0	0	0	111.4	F39 L40 L46 L47	F39-L43 PolarHBondContact O-N 2.69Å; L40-L43 WeakPolarHBondContact O-CB 3.36Å; L40-L43 PolarHBondContact O-N 3.24Å; L43-L46 PolarHBondContact O-N 3.12Å; L43-L47 WeakPolarHBondContact O-CB 3.43Å; L43-L47 PolarHBondContact O-N 3.34Å
44	V	97.4	Very high	94.3	Very high	74 Å²	74	63.7 Å²	63.7	45%	0.448	35%	0.345	S	S	.	.	H	α-helix	trans	-61.4	-44.4	175.4	171.4	0	0	0	0	110.7	L40 I41 V42 L46 L47 L48	L40-V44 WeakPolarHBondContact O-CG2 3.13Å; L40-V44 PolarHBondContact O-N 3.07Å; I41-V44 PolarHBondContact O-N 3Å; V42-V44 PolarHBondContact O-N 3.21Å; V44-L46 PolarHBondContact O-N 3.3Å; V44-L47 PolarHBondContact O-N 3.5Å; V44-L48 HydrophobicContact CG1-CD1 3.9Å; V44-L48 HydrophobicContact CG1-CG 4.21Å; V44-L48 WeakPolarHBondContact O-CB 3.43Å; V44-L48 VanDerWaalsContact O-CG 3.27Å; V44-L48 WeakPolarHBondContact O-CG 3.26Å; V44-L48 PolarHBondContact O-N 3.43Å
45	Y	98	Very high	95.1	Very high	13 Å²	13	68 Å²	68	5%	0.051	36%	0.362	C	S	.	.	H	α-helix	trans	-57.9	-47.7	177.1	167.4	-107.4	0	0	0	112.4	I41 V42 L47 L48 I49 L129 T132 W147 S151	I41-Y45 WeakPolarHBondContact O-CB 3.23Å; I41-Y45 PolarHBondContact O-N 3.48Å; V42-Y45 WeakPolarHBondContact O-CB 3.34Å; V42-Y45 PolarHBondContact O-N 3.33Å; Y45-L47 PolarHBondContact O-N 3.14Å; Y45-L48 PolarHBondContact O-N 2.9Å; Y45-I49 HydrophobicContact CD1-CD1 4.16Å; Y45-I49 HydrophobicContact CE1-CD1 3.61Å; Y45-I49 HydrophobicContact CE2-CD1 4.07Å; Y45-I49 HydrophobicContact CE2-CG1 4.36Å; Y45-I49 WeakPolarHBondContact O-CG1 3.2Å; Y45-I49 PolarHBondContact O-N 3.04Å; Y45-L129 HydrophobicContact CD1-CD2 4.38Å; Y45-L129 HydrophobicContact CD2-CB 3.91Å; Y45-L129 HydrophobicContact CD2-CD1 4.02Å; Y45-L129 HydrophobicContact CD2-CD2 3.91Å; Y45-L129 HydrophobicContact CD2-CG 4.16Å; Y45-L129 HydrophobicContact CE1-CD2 4.33Å; Y45-L129 HydrophobicContact CE2-CB 3.98Å; Y45-L129 HydrophobicContact CE2-CD2 3.84Å; Y45-L129 HydrophobicContact CE2-CG 4.38Å; Y45-L129 HydrophobicContact CG-CD1 4.16Å; Y45-L129 HydrophobicContact CG-CD2 4.17Å; Y45-T132 HydrophobicContact CE2-CG2 3.94Å; Y45-T132 PolarHBondContact OH-OG1 3.41Å; Y45-W147 HydrophobicContact CE1-CB 4.39Å; Y45-S151 WeakPolarHBondContact CE1-OG 3.35Å
46	L	97.8	Very high	95.7	Very high	57 Å²	57	66.3 Å²	66.3	30%	0.298	36%	0.356	S	S	.	.	H	α-helix	trans	-63.3	-41.1	177.2	-69.1	178.5	0	0	0	111.8	V42 L43 V44 I49 I50 W147	V42-L46 HydrophobicContact CG1-CD1 4.12Å; V42-L46 HydrophobicContact CG1-CG 4.3Å; V42-L46 WeakPolarHBondContact O-CG 3.34Å; V42-L46 PolarHBondContact O-N 3.06Å; L43-L46 PolarHBondContact O-N 3.12Å; V44-L46 PolarHBondContact O-N 3.3Å; L46-I49 HydrophobicContact CD2-CD1 4.33Å; L46-I49 WeakPolarHBondContact O-CB 3.23Å; L46-I49 PolarHBondContact O-N 3.44Å; L46-I50 WeakPolarHBondContact O-CG1 3.47Å; L46-I50 PolarHBondContact O-N 3.08Å; L46-W147 HydrophobicContact CD2-CE3 3.71Å; L46-W147 HydrophobicContact CD2-CZ3 3.99Å
47	L	97.9	Very high	96.1	Very high	100 Å²	100	69.1 Å²	69.1	52%	0.524	36%	0.36	S	S	.	.	H	α-helix	trans	-62.1	-44.3	174.3	-177.1	146.5	0	0	0	111.3	L43 V44 Y45 I49 I50 V51	L43-L47 WeakPolarHBondContact O-CB 3.43Å; L43-L47 PolarHBondContact O-N 3.34Å; V44-L47 PolarHBondContact O-N 3.5Å; Y45-L47 PolarHBondContact O-N 3.14Å; L47-I49 VanDerWaalsContact C-N 3.28Å; L47-I49 PolarHBondContact O-N 3.03Å; L47-I50 PolarHBondContact O-N 3.31Å; L47-I50 VanDerWaalsContact O-N 3.16Å; L47-V51 HydrophobicContact CD2-CG2 3.85Å; L47-V51 HydrophobicContact CG-CG2 4.3Å; L47-V51 WeakPolarHBondContact O-CB 3.25Å; L47-V51 WeakPolarHBondContact O-CG2 3.36Å; L47-V51 PolarHBondContact O-N 2.97Å
48	L	97.6	Very high	96.3	Very high	104 Å²	104	72.8 Å²	72.8	55%	0.545	38%	0.381	S	S	.	.	H	α-helix	trans	-62.9	-33.1	176.7	-72.7	175.3	0	0	0	112.4	V44 Y45 G52	V44-L48 HydrophobicContact CG1-CD1 3.9Å; V44-L48 HydrophobicContact CG1-CG 4.21Å; V44-L48 WeakPolarHBondContact O-CB 3.43Å; V44-L48 VanDerWaalsContact O-CG 3.27Å; V44-L48 WeakPolarHBondContact O-CG 3.26Å; V44-L48 PolarHBondContact O-N 3.43Å; Y45-L48 PolarHBondContact O-N 2.9Å; L48-G52 WeakPolarHBondContact O-CA 3.21Å; L48-G52 PolarHBondContact O-N 2.97Å
49	I	97.8	Very high	96.3	Very high	13 Å²	13	78.2 Å²	78.2	7%	0.067	40%	0.401	C	S	.	.	H	α-helix	trans	-61.7	-50.9	171.7	-69.7	170.2	0	0	0	110.4	Y45 L46 L47 G52 Q53 T132 I136 L142 W147	Y45-I49 HydrophobicContact CD1-CD1 4.16Å; Y45-I49 HydrophobicContact CE1-CD1 3.61Å; Y45-I49 HydrophobicContact CE2-CD1 4.07Å; Y45-I49 HydrophobicContact CE2-CG1 4.36Å; Y45-I49 WeakPolarHBondContact O-CG1 3.2Å; Y45-I49 PolarHBondContact O-N 3.04Å; L46-I49 HydrophobicContact CD2-CD1 4.33Å; L46-I49 WeakPolarHBondContact O-CB 3.23Å; L46-I49 PolarHBondContact O-N 3.44Å; L47-I49 VanDerWaalsContact C-N 3.28Å; L47-I49 PolarHBondContact O-N 3.03Å; I49-G52 PolarHBondContact O-N 2.94Å; I49-Q53 HydrophobicContact CG2-CG 4.4Å; I49-Q53 WeakPolarHBondContact O-CB 3.44Å; I49-Q53 VanDerWaalsContact O-CG 3.28Å; I49-Q53 WeakPolarHBondContact O-CG 3.37Å; I49-Q53 PolarHBondContact O-N 3.11Å; I49-T132 HydrophobicContact CD1-CG2 3.97Å; I49-T132 HydrophobicContact CG1-CG2 3.74Å; I49-I136 HydrophobicContact CB-CD1 4.27Å; I49-I136 HydrophobicContact CG1-CD1 4.15Å; I49-I136 HydrophobicContact CG2-CD1 4.24Å; I49-L142 HydrophobicContact CD1-CD2 4.22Å; I49-L142 HydrophobicContact CG1-CD2 4.28Å; I49-L142 HydrophobicContact CG2-CD2 3.58Å; I49-W147 HydrophobicContact CD1-CB 3.66Å; I49-W147 HydrophobicContact CD1-CG 4.35Å
50	I	97.1	Very high	96.3	Very high	120 Å²	120	82.3 Å²	82.3	62%	0.615	42%	0.419	S	S	*	.	H	α-helix	trans	-63.3	-50.5	-176.7	-64.2	167.2	0	0	0	110.2	L46 L47 Q53 S54	L46-I50 WeakPolarHBondContact O-CG1 3.47Å; L46-I50 PolarHBondContact O-N 3.08Å; L47-I50 PolarHBondContact O-N 3.31Å; L47-I50 VanDerWaalsContact O-N 3.16Å; I50-Q53 PolarHBondContact O-N 3.44Å; I50-S54 WeakPolarHBondContact O-CB 3.35Å; I50-S54 PolarHBondContact O-N 3.18Å
51	V	97	Very high	96.3	Very high	81 Å²	81	78.9 Å²	78.9	49%	0.491	41%	0.41	S	S	.	.	H	α-helix	trans	-61.8	-47.1	178.6	173.4	0	0	0	0	110.4	L47 Q53 S54 Y55	L47-V51 HydrophobicContact CD2-CG2 3.85Å; L47-V51 HydrophobicContact CG-CG2 4.3Å; L47-V51 WeakPolarHBondContact O-CB 3.25Å; L47-V51 WeakPolarHBondContact O-CG2 3.36Å; L47-V51 PolarHBondContact O-N 2.97Å; V51-Q53 PolarHBondContact O-N 2.96Å; V51-S54 PolarHBondContact O-N 3.4Å; V51-Y55 VanDerWaalsContact O-CB 3.24Å; V51-Y55 WeakPolarHBondContact O-CB 3.48Å; V51-Y55 PolarHBondContact O-N 3.13Å
52	G	96.4	Very high	96.2	Very high	18 Å²	18	81.3 Å²	81.3	19%	0.186	42%	0.419	C	S	.	.	H	α-helix	trans	-62.8	-43.5	-179.7	0	0	0	0	0	112.8	L48 I49 M56 I136	L48-G52 WeakPolarHBondContact O-CA 3.21Å; L48-G52 PolarHBondContact O-N 2.97Å; I49-G52 PolarHBondContact O-N 2.94Å; G52-M56 WeakPolarHBondContact O-CB 3.24Å; G52-M56 VanDerWaalsContact O-CG 3.26Å; G52-M56 WeakPolarHBondContact O-CG 3.47Å; G52-M56 PolarHBondContact O-N 3.01Å; G52-I136 VanDerWaalsContact C-CG2 3.47Å
53	Q	95.8	Very high	96	Very high	87 Å²	87	86.3 Å²	86.3	41%	0.407	46%	0.455	S	S	.	.	H	α-helix	trans	-63.2	-45.4	174.7	-75.8	-174.7	-1.3	0	0	111.4	I49 I50 V51 M56 K57 I136	I49-Q53 HydrophobicContact CG2-CG 4.4Å; I49-Q53 WeakPolarHBondContact O-CB 3.44Å; I49-Q53 VanDerWaalsContact O-CG 3.28Å; I49-Q53 WeakPolarHBondContact O-CG 3.37Å; I49-Q53 PolarHBondContact O-N 3.11Å; I50-Q53 PolarHBondContact O-N 3.44Å; V51-Q53 PolarHBondContact O-N 2.96Å; Q53-M56 PolarHBondContact O-N 2.9Å; Q53-K57 WeakPolarHBondContact O-CG 2.88Å; Q53-K57 PolarHBondContact O-N 3.24Å; Q53-I136 HydrophobicContact CG-CD1 4.35Å; Q53-I136 HydrophobicContact CG-CG1 4.27Å
54	S	95.8	Very high	95.8	Very high	67 Å²	67	82.7 Å²	82.7	47%	0.469	44%	0.436	S	S	.	.	H	α-helix	trans	-60.5	-48.6	177.7	-167	0	0	0	0	111.7	I50 V51 M56 K57	I50-S54 WeakPolarHBondContact O-CB 3.35Å; I50-S54 PolarHBondContact O-N 3.18Å; V51-S54 PolarHBondContact O-N 3.4Å; S54-M56 VanDerWaalsContact C-N 3.28Å; S54-M56 PolarHBondContact O-N 3.15Å; S54-K57 WeakPolarHBondContact O-CB 3.43Å; S54-K57 PolarHBondContact O-N 3.33Å; S54-K57 VanDerWaalsContact O-N 3.12Å
55	Y	95.8	Very high	95.7	Very high	116 Å²	116	82 Å²	82	46%	0.455	43%	0.428	S	S	.	.	H	α-helix	trans	-59.1	-38.4	177.5	177.3	-103	0	0	0	112.6	V51 R59	V51-Y55 VanDerWaalsContact O-CB 3.24Å; V51-Y55 WeakPolarHBondContact O-CB 3.48Å; V51-Y55 PolarHBondContact O-N 3.13Å; Y55-R59 PolarHBondContact OH-NE 3.41Å; Y55-R59 PolarHBondContact OH-NH1 3.44Å; Y55-R59 PolarHBondContact OH-NH2 3.27Å
56	M	96.4	Very high	95.6	Very high	6 Å²	6	83.6 Å²	83.6	3%	0.03	45%	0.448	C	S	.	.	H	α-helix	trans	-78.8	-13.7	179.7	-70.7	-60.2	-64.2	0	0	113.6	G52 Q53 S54 T58 R59 F62 I136 L137 K139	G52-M56 WeakPolarHBondContact O-CB 3.24Å; G52-M56 VanDerWaalsContact O-CG 3.26Å; G52-M56 WeakPolarHBondContact O-CG 3.47Å; G52-M56 PolarHBondContact O-N 3.01Å; Q53-M56 PolarHBondContact O-N 2.9Å; S54-M56 VanDerWaalsContact C-N 3.28Å; S54-M56 PolarHBondContact O-N 3.15Å; M56-T58 VanDerWaalsContact C-N 3.3Å; M56-T58 PolarHBondContact O-N 2.91Å; M56-R59 HydrophobicContact CE-CB 4.41Å; M56-R59 PolarHBondContact O-N 3Å; M56-R59 VanDerWaalsContact O-N 3.14Å; M56-R59 HydrophobicContact SD-CB 4.37Å; M56-F62 HydrophobicContact CE-CD2 3.89Å; M56-F62 HydrophobicContact CE-CE2 3.9Å; M56-F62 HydrophobicContact SD-CD2 4.17Å; M56-F62 HydrophobicContact SD-CE2 3.66Å; M56-I136 HydrophobicContact CG-CG2 3.99Å; M56-L137 WeakPolarHBondContact CE-O 3.25Å; M56-L137 HydrophobicContact SD-CD2 4.17Å; M56-K139 HydrophobicContact CE-CG 4.07Å; M56-K139 WeakPolarHBondContact O-CE 3.42Å; M56-K139 PolarHBondContact O-NZ 3.36Å; M56-K139 VanDerWaalsContact O-NZ 3.13Å
57	K	93.7	Very high	95.6	Very high	155 Å²	155	84.2 Å²	84.2	67%	0.674	46%	0.456	S	S	*	.	H	α-helix	trans	-51.7	-48.3	-178.5	-76.8	175.7	-176.9	176.2	0	112	Q53 S54 K139	Q53-K57 WeakPolarHBondContact O-CG 2.88Å; Q53-K57 PolarHBondContact O-N 3.24Å; S54-K57 WeakPolarHBondContact O-CB 3.43Å; S54-K57 PolarHBondContact O-N 3.33Å; S54-K57 VanDerWaalsContact O-N 3.12Å; K57-K139 PolarHBondContact O-NZ 3.48Å
58	T	94.4	Very high	95.5	Very high	130 Å²	130	80.5 Å²	80.5	80%	0.798	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-5.4	-175.5	57.5	0	0	0	0	114.6	M56	M56-T58 VanDerWaalsContact C-N 3.3Å; M56-T58 PolarHBondContact O-N 2.91Å
59	R	93.9	Very high	95.5	Very high	113 Å²	113	77.8 Å²	77.8	43%	0.426	42%	0.422	S	S	.	.	S	Bend	trans	-106.4	159.1	-172.8	-63.4	-177.6	-179.6	-101.8	0.4	112.7	Y55 M56 K139	Y55-R59 PolarHBondContact OH-NE 3.41Å; Y55-R59 PolarHBondContact OH-NH1 3.44Å; Y55-R59 PolarHBondContact OH-NH2 3.27Å; M56-R59 HydrophobicContact CE-CB 4.41Å; M56-R59 PolarHBondContact O-N 3Å; M56-R59 VanDerWaalsContact O-N 3.14Å; M56-R59 HydrophobicContact SD-CB 4.37Å; R59-K139 WeakPolarHBondContact O-CE 3.42Å; R59-K139 PolarHBondContact O-NZ 3.32Å
60	K	94.2	Very high	95.5	Very high	192 Å²	192	82.5 Å²	82.5	84%	0.835	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-78.3	150.8	167	-68.2	-177.5	-179.8	177.5	0	109.5
61	G	94.5	Very high	95.6	Very high	38 Å²	38	80.1 Å²	80.1	39%	0.392	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-66.1	139.5	176.7	0	0	0	0	0	111.2
62	F	94.2	Very high	95.6	Very high	96 Å²	96	76.4 Å²	76.4	42%	0.421	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-74.8	147	-179.7	-65.7	-78.9	0	0	0	112.2	M56 L64 L137	M56-F62 HydrophobicContact CE-CD2 3.89Å; M56-F62 HydrophobicContact CE-CE2 3.9Å; M56-F62 HydrophobicContact SD-CD2 4.17Å; M56-F62 HydrophobicContact SD-CE2 3.66Å; F62-L64 HydrophobicContact CB-CD1 4.12Å; F62-L64 HydrophobicContact CB-CD2 4.21Å; F62-L64 HydrophobicContact CB-CG 3.77Å; F62-L64 PolarHBondContact O-N 3.4Å; F62-L64 VanDerWaalsContact O-N 3.14Å; F62-L137 HydrophobicContact CD2-CB 4.08Å; F62-L137 HydrophobicContact CD2-CD2 4.1Å; F62-L137 WeakPolarHBondContact CD2-O 2.91Å; F62-L137 HydrophobicContact CE2-CD2 4.04Å; F62-L137 PolarHBondContact N-O 3.06Å
63	S	92.7	Very high	95.7	Very high	118 Å²	118	81 Å²	81	83%	0.825	42%	0.423	S	S	*	.			trans	-84.7	77.9	171.7	-170.5	0	0	0	0	110.7	Q65	S63-Q65 VanDerWaalsContact C-N 3.32Å; S63-Q65 PolarHBondContact O-N 3.34Å
64	L	94.1	Very high	95.8	Very high	39 Å²	39	80.1 Å²	80.1	20%	0.204	43%	0.425	C	S	.	.			trans	-95.1	33.4	-178.7	-60.4	174.2	0	0	0	112.8	F62 L68 F134 L137 R138	F62-L64 HydrophobicContact CB-CD1 4.12Å; F62-L64 HydrophobicContact CB-CD2 4.21Å; F62-L64 HydrophobicContact CB-CG 3.77Å; F62-L64 PolarHBondContact O-N 3.4Å; F62-L64 VanDerWaalsContact O-N 3.14Å; L64-L68 WeakPolarHBondContact O-CB 3.38Å; L64-L68 PolarHBondContact O-N 3.49Å; L64-F134 HydrophobicContact CB-CD1 4.07Å; L64-F134 HydrophobicContact CB-CE1 4.11Å; L64-F134 HydrophobicContact CD1-CD1 4.03Å; L64-F134 HydrophobicContact CD1-CE1 4.31Å; L64-L137 HydrophobicContact CD1-CB 3.65Å; L64-L137 HydrophobicContact CD1-CD1 3.94Å; L64-L137 HydrophobicContact CD1-CG 4.47Å; L64-R138 HydrophobicContact CB-CG 4.2Å; L64-R138 HydrophobicContact CD1-CG 4.29Å
65	Q	94	Very high	95.9	Very high	59 Å²	59	77.5 Å²	77.5	28%	0.276	41%	0.406	S	S	.	.	H	α-helix	trans	-64.2	-52.4	-173.3	-171.8	-178.9	-26.8	0	0	112.1	S63 L68 I69 A190	S63-Q65 VanDerWaalsContact C-N 3.32Å; S63-Q65 PolarHBondContact O-N 3.34Å; Q65-L68 PolarHBondContact O-N 3.49Å; Q65-I69 HydrophobicContact CG-CD1 3.99Å; Q65-I69 VanDerWaalsContact O-CG1 3.26Å; Q65-I69 WeakPolarHBondContact O-CG1 3.26Å; Q65-I69 PolarHBondContact O-N 3.17Å; Q65-A190 WeakPolarHBondContact CG-O 3.12Å; Q65-A190 PolarHBondContact NE2-O 2.91Å
66	G	96.3	Very high	96.1	Very high	46 Å²	46	72.1 Å²	72.1	47%	0.474	39%	0.385	S	S	.	.	H	α-helix	trans	-57.9	-54.2	179	0	0	0	0	0	113	L68 I69 L70	G66-L68 VanDerWaalsContact C-N 3.3Å; G66-L68 PolarHBondContact O-N 3.21Å; G66-I69 WeakPolarHBondContact O-CB 3.33Å; G66-I69 PolarHBondContact O-N 3.32Å; G66-I69 VanDerWaalsContact O-N 3.14Å; G66-L70 PolarHBondContact O-N 3.27Å
67	P	97.4	Very high	96.2	Very high	71 Å²	71	74.6 Å²	74.6	46%	0.461	40%	0.401	S	S	.	.	H	α-helix	trans	-57.5	-39.2	176.2	-28.3	36.2	0	0	0	113.6	L70 W71 F134	P67-L70 PolarHBondContact O-N 2.85Å; P67-W71 WeakPolarHBondContact O-CB 3.09Å; P67-W71 PolarHBondContact O-N 3.34Å; P67-F134 HydrophobicContact CB-CE1 4.04Å; P67-F134 HydrophobicContact CB-CZ 4.26Å
68	L	97.1	Very high	96.4	Very high	21 Å²	21	69.4 Å²	69.4	11%	0.11	38%	0.378	C	S	.	.	H	α-helix	trans	-66.3	-37.4	177.3	178.5	65.1	0	0	0	112.7	L64 Q65 G66 S72 F134 A190	L64-L68 WeakPolarHBondContact O-CB 3.38Å; L64-L68 PolarHBondContact O-N 3.49Å; Q65-L68 PolarHBondContact O-N 3.49Å; G66-L68 VanDerWaalsContact C-N 3.3Å; G66-L68 PolarHBondContact O-N 3.21Å; L68-S72 VanDerWaalsContact O-CB 3.31Å; L68-S72 WeakPolarHBondContact O-CB 3.4Å; L68-S72 PolarHBondContact O-N 3.2Å; L68-S72 PolarHBondContact O-OG 2.84Å; L68-F134 HydrophobicContact CB-CD1 4.1Å; L68-F134 HydrophobicContact CB-CE1 4.13Å; L68-F134 HydrophobicContact CD1-CB 4.07Å; L68-F134 HydrophobicContact CD1-CD1 4.11Å; L68-F134 HydrophobicContact CD1-CD2 4.12Å; L68-F134 HydrophobicContact CD1-CG 3.84Å; L68-A190 HydrophobicContact CD2-CB 4Å; L68-A190 HydrophobicContact CG-CB 4.01Å
69	I	97.7	Very high	96.5	Very high	47 Å²	47	63.2 Å²	63.2	24%	0.241	34%	0.341	C	S	.	.	H	α-helix	trans	-62.5	-52.5	175.3	-67.7	162.6	0	0	0	109.2	Q65 G66 W71 S72 F73 T187 A190 A191	Q65-I69 HydrophobicContact CG-CD1 3.99Å; Q65-I69 VanDerWaalsContact O-CG1 3.26Å; Q65-I69 WeakPolarHBondContact O-CG1 3.26Å; Q65-I69 PolarHBondContact O-N 3.17Å; G66-I69 WeakPolarHBondContact O-CB 3.33Å; G66-I69 PolarHBondContact O-N 3.32Å; G66-I69 VanDerWaalsContact O-N 3.14Å; I69-W71 VanDerWaalsContact C-N 3.34Å; I69-W71 PolarHBondContact O-N 3.5Å; I69-S72 PolarHBondContact O-N 2.98Å; I69-F73 WeakPolarHBondContact O-CB 3.3Å; I69-F73 PolarHBondContact O-N 3.28Å; I69-T187 HydrophobicContact CG2-CG2 4.3Å; I69-A190 HydrophobicContact CG1-CB 3.6Å; I69-A191 HydrophobicContact CD1-CB 4.08Å; I69-A191 HydrophobicContact CG1-CB 4.25Å
70	L	98	Very high	96.8	Very high	113 Å²	113	61.3 Å²	61.3	59%	0.592	34%	0.338	S	S	*	.	H	α-helix	trans	-58.5	-47.5	180	178.9	61.1	0	0	0	111.2	G66 P67 F73 C74	G66-L70 PolarHBondContact O-N 3.27Å; P67-L70 PolarHBondContact O-N 2.85Å; L70-F73 PolarHBondContact O-N 2.99Å; L70-C74 PolarHBondContact O-N 2.88Å; L70-C74 PolarHBondContact O-SG 3.12Å
71	W	98.2	Very high	96.9	Very high	69 Å²	69	57.1 Å²	57.1	26%	0.261	32%	0.324	S	S	.	.	H	α-helix	trans	-56.7	-53.7	177.4	176.8	-90.5	0	0	0	112.7	P67 I69 F73 C74 L75 V127 D131 F134	P67-W71 WeakPolarHBondContact O-CB 3.09Å; P67-W71 PolarHBondContact O-N 3.34Å; I69-W71 VanDerWaalsContact C-N 3.34Å; I69-W71 PolarHBondContact O-N 3.5Å; W71-F73 VanDerWaalsContact C-N 3.26Å; W71-F73 PolarHBondContact O-N 2.62Å; W71-C74 PolarHBondContact O-N 3.14Å; W71-L75 HydrophobicContact CZ2-CD1 4.32Å; W71-L75 VanDerWaalsContact NE1-CD1 3.35Å; W71-L75 PolarHBondContact O-N 3.28Å; W71-L75 VanDerWaalsContact O-N 3.09Å; W71-V127 HydrophobicContact CH2-CG1 3.5Å; W71-V127 VanDerWaalsContact CH2-CG1 3.5Å; W71-V127 WeakPolarHBondContact CH2-O 3.36Å; W71-V127 HydrophobicContact CZ2-CG1 3.87Å; W71-V127 WeakPolarHBondContact CZ2-O 3.38Å; W71-V127 HydrophobicContact CZ3-CG1 4.15Å; W71-D131 PolarHBondContact NE1-OD1 3.01Å; W71-F134 HydrophobicContact CB-CE2 3.87Å; W71-F134 HydrophobicContact CB-CZ 4.06Å; W71-F134 AromaticContact CD1-CE2 3.86Å; W71-F134 HydrophobicContact CD2-CD2 4.49Å; W71-F134 AromaticContact CD2-CE2 3.66Å; W71-F134 HydrophobicContact CD2-CE2 3.66Å; W71-F134 HydrophobicContact CD2-CZ 4.49Å; W71-F134 HydrophobicContact CE3-CE2 4.14Å; W71-F134 HydrophobicContact CG-CD2 4.27Å; W71-F134 AromaticContact CG-CE2 3.52Å; W71-F134 HydrophobicContact CG-CE2 3.52Å; W71-F134 HydrophobicContact CG-CZ 4.2Å
72	S	97.8	Very high	97	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-63.4	-36	-179.9	-53.8	0	0	0	0	111.2	L68 I69 L75 A76 T187	L68-S72 VanDerWaalsContact O-CB 3.31Å; L68-S72 WeakPolarHBondContact O-CB 3.4Å; L68-S72 PolarHBondContact O-N 3.2Å; L68-S72 PolarHBondContact O-OG 2.84Å; I69-S72 PolarHBondContact O-N 2.98Å; S72-L75 PolarHBondContact O-N 2.85Å; S72-A76 WeakPolarHBondContact O-CB 3.46Å; S72-A76 PolarHBondContact O-N 3.48Å; S72-T187 VanDerWaalsContact CB-OG1 3.3Å; S72-T187 WeakPolarHBondContact CB-OG1 3.46Å; S72-T187 PolarHBondContact O-OG1 3.28Å
73	F	98.1	Very high	97.1	Very high	115 Å²	115	51.8 Å²	51.8	50%	0.504	29%	0.292	S	S	.	.	H	α-helix	trans	-68	-44.9	178.6	178	-106.1	0	0	0	111.6	I69 L70 W71 L75 A76 V77 T187	I69-F73 WeakPolarHBondContact O-CB 3.3Å; I69-F73 PolarHBondContact O-N 3.28Å; L70-F73 PolarHBondContact O-N 2.99Å; W71-F73 VanDerWaalsContact C-N 3.26Å; W71-F73 PolarHBondContact O-N 2.62Å; F73-L75 VanDerWaalsContact C-N 3.33Å; F73-L75 PolarHBondContact O-N 3.37Å; F73-A76 WeakPolarHBondContact O-CB 3.29Å; F73-A76 PolarHBondContact O-N 3.29Å; F73-A76 VanDerWaalsContact O-N 3.15Å; F73-V77 HydrophobicContact CD1-CG2 4.34Å; F73-V77 HydrophobicContact CD2-CG2 4.37Å; F73-V77 HydrophobicContact CE1-CG2 3.89Å; F73-V77 HydrophobicContact CE2-CG2 3.93Å; F73-V77 HydrophobicContact CZ-CG2 3.67Å; F73-V77 WeakPolarHBondContact O-CG2 3.12Å; F73-V77 PolarHBondContact O-N 3.16Å; F73-T187 WeakPolarHBondContact CA-OG1 3.36Å; F73-T187 HydrophobicContact CB-CG2 3.84Å; F73-T187 HydrophobicContact CD2-CG2 4.18Å; F73-T187 HydrophobicContact CG-CG2 4.49Å; F73-T187 PolarHBondContact N-OG1 3.42Å; F73-T187 VanDerWaalsContact N-OG1 3.12Å
74	C	98.3	Very high	97.3	Very high	69 Å²	69	50.8 Å²	50.8	47%	0.466	28%	0.28	S	S	.	.	H	α-helix	trans	-58.8	-44.8	174.9	-70.3	0	0	0	0	111.4	L70 W71 A76 V77 F78	L70-C74 PolarHBondContact O-N 2.88Å; L70-C74 PolarHBondContact O-SG 3.12Å; W71-C74 PolarHBondContact O-N 3.14Å; C74-A76 VanDerWaalsContact C-N 3.33Å; C74-A76 PolarHBondContact O-N 3.13Å; C74-V77 PolarHBondContact O-N 3.43Å; C74-F78 WeakPolarHBondContact O-CB 3.33Å; C74-F78 PolarHBondContact O-N 2.89Å
75	L	98.1	Very high	97.3	Very high	11 Å²	11	49.7 Å²	49.7	6%	0.058	27%	0.274	C	S	.	.	H	α-helix	trans	-65.9	-34.6	175.9	-70	176.2	0	0	0	112.5	W71 S72 F73 S79 V127 E128 Y183	W71-L75 HydrophobicContact CZ2-CD1 4.32Å; W71-L75 VanDerWaalsContact NE1-CD1 3.35Å; W71-L75 PolarHBondContact O-N 3.28Å; W71-L75 VanDerWaalsContact O-N 3.09Å; S72-L75 PolarHBondContact O-N 2.85Å; F73-L75 VanDerWaalsContact C-N 3.33Å; F73-L75 PolarHBondContact O-N 3.37Å; L75-S79 VanDerWaalsContact O-CB 3.25Å; L75-S79 WeakPolarHBondContact O-CB 3.38Å; L75-S79 PolarHBondContact O-N 3.48Å; L75-S79 PolarHBondContact O-OG 3.48Å; L75-V127 HydrophobicContact CD2-CG1 4.09Å; L75-E128 HydrophobicContact CD2-CG 4.46Å; L75-Y183 HydrophobicContact CB-CD1 3.79Å; L75-Y183 HydrophobicContact CB-CD2 3.82Å; L75-Y183 HydrophobicContact CB-CE1 4.04Å; L75-Y183 HydrophobicContact CB-CE2 4.03Å; L75-Y183 HydrophobicContact CB-CG 3.71Å; L75-Y183 HydrophobicContact CD1-CD1 4.02Å; L75-Y183 HydrophobicContact CD1-CE1 3.45Å; L75-Y183 VanDerWaalsContact CD1-CE1 3.45Å; L75-Y183 HydrophobicContact CD1-CE2 4.19Å; L75-Y183 HydrophobicContact CG-CE1 4.39Å
76	A	98.3	Very high	97.3	Very high	3 Å²	3	46.9 Å²	46.9	3%	0.025	26%	0.261	C	S	.	.	H	α-helix	trans	-64.5	-50.5	173.6	0	0	0	0	0	111.3	S72 F73 C74 F78 S79 I80	S72-A76 WeakPolarHBondContact O-CB 3.46Å; S72-A76 PolarHBondContact O-N 3.48Å; F73-A76 WeakPolarHBondContact O-CB 3.29Å; F73-A76 PolarHBondContact O-N 3.29Å; F73-A76 VanDerWaalsContact O-N 3.15Å; C74-A76 VanDerWaalsContact C-N 3.33Å; C74-A76 PolarHBondContact O-N 3.13Å; A76-F78 PolarHBondContact O-N 3.02Å; A76-S79 PolarHBondContact O-N 3.3Å; A76-I80 WeakPolarHBondContact O-CB 3.33Å; A76-I80 WeakPolarHBondContact O-CG1 3.03Å; A76-I80 PolarHBondContact O-N 2.67Å
77	V	98.4	Very high	97.2	Very high	58 Å²	58	49.9 Å²	49.9	35%	0.352	26%	0.258	S	S	.	.	H	α-helix	trans	-59.1	-48.8	178.3	171.6	0	0	0	0	110.6	F73 C74 S79 I80 L81	F73-V77 HydrophobicContact CD1-CG2 4.34Å; F73-V77 HydrophobicContact CD2-CG2 4.37Å; F73-V77 HydrophobicContact CE1-CG2 3.89Å; F73-V77 HydrophobicContact CE2-CG2 3.93Å; F73-V77 HydrophobicContact CZ-CG2 3.67Å; F73-V77 WeakPolarHBondContact O-CG2 3.12Å; F73-V77 PolarHBondContact O-N 3.16Å; C74-V77 PolarHBondContact O-N 3.43Å; V77-S79 VanDerWaalsContact C-N 3.33Å; V77-S79 PolarHBondContact O-N 3.15Å; V77-I80 PolarHBondContact O-N 3.24Å; V77-L81 HydrophobicContact CG1-CD1 3.94Å; V77-L81 HydrophobicContact CG1-CG 4.34Å; V77-L81 VanDerWaalsContact O-CG 3.32Å; V77-L81 WeakPolarHBondContact O-CG 3.21Å; V77-L81 PolarHBondContact O-N 3.01Å
78	F	98.1	Very high	97	Very high	46 Å²	46	51.9 Å²	51.9	20%	0.202	26%	0.256	C	S	.	.	H	α-helix	trans	-54.2	-49.7	175.1	169.4	-104.4	0	0	0	111.8	C74 A76 I80 L81 G82 W117 L120 S124 L176	C74-F78 WeakPolarHBondContact O-CB 3.33Å; C74-F78 PolarHBondContact O-N 2.89Å; A76-F78 PolarHBondContact O-N 3.02Å; F78-I80 PolarHBondContact O-N 2.99Å; F78-L81 PolarHBondContact O-N 3.48Å; F78-G82 PolarHBondContact O-N 3.42Å; F78-W117 HydrophobicContact CD2-CZ3 4.44Å; F78-W117 HydrophobicContact CE2-CZ3 4.06Å; F78-L120 HydrophobicContact CE2-CB 3.81Å; F78-L120 HydrophobicContact CE2-CD1 4.16Å; F78-L120 HydrophobicContact CZ-CB 4.03Å; F78-S124 VanDerWaalsContact CE1-CB 3.42Å; F78-L176 HydrophobicContact CE1-CD2 4.06Å
79	S	98.1	Very high	96.8	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.007	25%	0.253	C	S	.	.	H	α-helix	trans	-66.6	-37	-178.5	-58	0	0	0	0	112.2	L75 A76 V77 T83	L75-S79 VanDerWaalsContact O-CB 3.25Å; L75-S79 WeakPolarHBondContact O-CB 3.38Å; L75-S79 PolarHBondContact O-N 3.48Å; L75-S79 PolarHBondContact O-OG 3.48Å; A76-S79 PolarHBondContact O-N 3.3Å; V77-S79 VanDerWaalsContact C-N 3.33Å; V77-S79 PolarHBondContact O-N 3.15Å; S79-T83 WeakPolarHBondContact O-CB 3.27Å; S79-T83 PolarHBondContact O-N 2.87Å; S79-T83 PolarHBondContact O-OG1 3.49Å
80	I	98.4	Very high	96.5	Very high	73 Å²	73	49.1 Å²	49.1	37%	0.374	24%	0.241	S	C	.	.	H	α-helix	trans	-65.7	-49.2	176.7	-70.4	164.1	0	0	0	110.5	A76 V77 F78 G82 T83 V84	A76-I80 WeakPolarHBondContact O-CB 3.33Å; A76-I80 WeakPolarHBondContact O-CG1 3.03Å; A76-I80 PolarHBondContact O-N 2.67Å; V77-I80 PolarHBondContact O-N 3.24Å; F78-I80 PolarHBondContact O-N 2.99Å; I80-G82 VanDerWaalsContact C-N 3.35Å; I80-G82 PolarHBondContact O-N 3.33Å; I80-T83 WeakPolarHBondContact O-CB 3.25Å; I80-T83 PolarHBondContact O-N 3.42Å; I80-V84 HydrophobicContact CG2-CG2 4.49Å; I80-V84 WeakPolarHBondContact O-CG2 3.37Å; I80-V84 PolarHBondContact O-N 3.01Å
81	L	97.2	Very high	96.2	Very high	103 Å²	103	44.4 Å²	44.4	54%	0.539	22%	0.22	S	C	.	.	H	α-helix	trans	-60.6	-46.6	178.9	-66.9	176.1	0	0	0	110.8	V77 F78 T83 V84 R85 W117	V77-L81 HydrophobicContact CG1-CD1 3.94Å; V77-L81 HydrophobicContact CG1-CG 4.34Å; V77-L81 VanDerWaalsContact O-CG 3.32Å; V77-L81 WeakPolarHBondContact O-CG 3.21Å; V77-L81 PolarHBondContact O-N 3.01Å; F78-L81 PolarHBondContact O-N 3.48Å; L81-T83 VanDerWaalsContact C-N 3.35Å; L81-T83 PolarHBondContact O-N 2.98Å; L81-V84 PolarHBondContact O-N 3.36Å; L81-R85 VanDerWaalsContact O-CB 3.3Å; L81-R85 WeakPolarHBondContact O-CB 3.47Å; L81-R85 PolarHBondContact O-N 3.12Å; L81-W117 HydrophobicContact CB-CH2 3.83Å
82	G	96.5	Very high	95.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.4	-40.6	175.6	0	0	0	0	0	112.6	F78 I80 R85 I86	F78-G82 PolarHBondContact O-N 3.42Å; I80-G82 VanDerWaalsContact C-N 3.35Å; I80-G82 PolarHBondContact O-N 3.33Å; G82-R85 PolarHBondContact O-N 3.27Å; G82-I86 VanDerWaalsContact O-CB 3.25Å; G82-I86 WeakPolarHBondContact O-CB 3.46Å; G82-I86 WeakPolarHBondContact O-CG1 3.39Å; G82-I86 PolarHBondContact O-N 3.43Å
83	T	96.9	Very high	95.4	Very high	22 Å²	22	41.8 Å²	41.8	14%	0.135	21%	0.211	C	C	.	.	H	α-helix	trans	-59.4	-56.2	175.8	-64.9	0	0	0	0	110.7	S79 I80 L81 R85 W87 L176 G177	S79-T83 WeakPolarHBondContact O-CB 3.27Å; S79-T83 PolarHBondContact O-N 2.87Å; S79-T83 PolarHBondContact O-OG1 3.49Å; I80-T83 WeakPolarHBondContact O-CB 3.25Å; I80-T83 PolarHBondContact O-N 3.42Å; L81-T83 VanDerWaalsContact C-N 3.35Å; L81-T83 PolarHBondContact O-N 2.98Å; T83-R85 VanDerWaalsContact C-N 3.27Å; T83-R85 PolarHBondContact O-N 2.96Å; T83-W87 WeakPolarHBondContact O-CB 3.22Å; T83-W87 PolarHBondContact O-N 3.43Å; T83-L176 PolarHBondContact OG1-O 3.2Å; T83-G177 WeakPolarHBondContact OG1-CA 3.39Å; T83-G177 PolarHBondContact OG1-N 2.95Å
84	V	95.5	Very high	95.1	Very high	97 Å²	97	38.7 Å²	38.7	59%	0.588	20%	0.2	S	C	*	.	H	α-helix	trans	-58	-44.1	-177.7	171.6	0	0	0	0	110.6	I80 L81 R88	I80-V84 HydrophobicContact CG2-CG2 4.49Å; I80-V84 WeakPolarHBondContact O-CG2 3.37Å; I80-V84 PolarHBondContact O-N 3.01Å; L81-V84 PolarHBondContact O-N 3.36Å; V84-R88 VanDerWaalsContact O-CB 3.25Å; V84-R88 WeakPolarHBondContact O-CB 3.48Å; V84-R88 PolarHBondContact O-N 3.07Å
85	R	94.3	Very high	94.7	Very high	17 Å²	17	43.9 Å²	43.9	6%	0.064	22%	0.215	C	C	.	.	H	α-helix	trans	-70.6	-51	-176.4	-173.5	47.6	167.2	167.8	-8.4	112.6	Q17 E22 L81 G82 T83 Y89 I113 W117	Q17-R85 PolarHBondContact O-NH2 3.03Å; E22-R85 IonicContact OE1-CZ 3.74Å; E22-R85 IonicContact OE1-NE 2.93Å; E22-R85 PolarHBondContact OE1-NE 3.48Å; E22-R85 IonicContact OE1-NH2 3.63Å; E22-R85 IonicContact OE2-CZ 3.57Å; E22-R85 IonicContact OE2-NE 3.54Å; E22-R85 IonicContact OE2-NH2 2.73Å; E22-R85 PolarHBondContact OE2-NH2 3.27Å; L81-R85 VanDerWaalsContact O-CB 3.3Å; L81-R85 WeakPolarHBondContact O-CB 3.47Å; L81-R85 PolarHBondContact O-N 3.12Å; G82-R85 PolarHBondContact O-N 3.27Å; T83-R85 VanDerWaalsContact C-N 3.27Å; T83-R85 PolarHBondContact O-N 2.96Å; R85-Y89 PolarHBondContact O-N 3.37Å; R85-Y89 VanDerWaalsContact O-N 3.12Å; R85-I113 HydrophobicContact CG-CG2 4.1Å; R85-I113 VanDerWaalsContact CZ-CD1 3.5Å; R85-W117 HydrophobicContact CB-CZ2 4.1Å; R85-W117 HydrophobicContact CG-CZ2 4.19Å; R85-W117 VanDerWaalsContact CG-NE1 3.27Å
86	I	94.6	Very high	94.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-77.1	-36.3	-174.5	-61.9	-59	0	0	0	112	G82 R88 Y89 M90 I113 I114 W117 M172 T173 L176	G82-I86 VanDerWaalsContact O-CB 3.25Å; G82-I86 WeakPolarHBondContact O-CB 3.46Å; G82-I86 WeakPolarHBondContact O-CG1 3.39Å; G82-I86 PolarHBondContact O-N 3.43Å; I86-R88 VanDerWaalsContact C-N 3.33Å; I86-R88 PolarHBondContact O-N 2.93Å; I86-Y89 PolarHBondContact O-N 2.95Å; I86-M90 HydrophobicContact CG2-CG 3.96Å; I86-M90 WeakPolarHBondContact O-CB 3.47Å; I86-M90 WeakPolarHBondContact O-CG 3.4Å; I86-M90 PolarHBondContact O-N 3.36Å; I86-I113 HydrophobicContact CD1-CG2 4.21Å; I86-I114 HydrophobicContact CD1-CD1 4.05Å; I86-W117 HydrophobicContact CD1-CB 3.41Å; I86-W117 VanDerWaalsContact CD1-CB 3.41Å; I86-W117 HydrophobicContact CD1-CG 3.62Å; I86-W117 HydrophobicContact CG1-CB 3.83Å; I86-W117 HydrophobicContact CG1-CD2 4.43Å; I86-W117 HydrophobicContact CG1-CG 3.95Å; I86-M172 HydrophobicContact CD1-CE 3.99Å; I86-M172 HydrophobicContact CG1-CE 4.1Å; I86-M172 HydrophobicContact CG2-CE 3.73Å; I86-T173 HydrophobicContact CG2-CG2 4.44Å; I86-T173 WeakPolarHBondContact CG2-OG1 3.45Å; I86-L176 HydrophobicContact CG1-CD1 4.3Å
87	W	94.3	Very high	93.6	Very high	108 Å²	108	50.9 Å²	50.9	41%	0.409	25%	0.251	S	S	.	.	H	α-helix	trans	-62.6	-41.4	173.1	-92.3	100.5	0	0	0	112.3	T83 G91 W170 T173	T83-W87 WeakPolarHBondContact O-CB 3.22Å; T83-W87 PolarHBondContact O-N 3.43Å; W87-G91 WeakPolarHBondContact O-CA 3.4Å; W87-G91 PolarHBondContact O-N 3.43Å; W87-W170 HydrophobicContact CE3-CZ3 4.48Å; W87-W170 AromaticContact CH2-CZ3 3.96Å; W87-W170 HydrophobicContact CH2-CZ3 3.96Å; W87-W170 HydrophobicContact CZ3-CH2 4.37Å; W87-W170 AromaticContact CZ3-CZ3 3.7Å; W87-W170 HydrophobicContact CZ3-CZ3 3.7Å; W87-T173 HydrophobicContact CB-CG2 4.46Å; W87-T173 HydrophobicContact CD2-CG2 3.32Å; W87-T173 HydrophobicContact CE3-CG2 3.78Å; W87-T173 HydrophobicContact CG-CG2 3.63Å; W87-T173 HydrophobicContact CH2-CG2 4.17Å; W87-T173 HydrophobicContact CZ2-CG2 3.75Å; W87-T173 HydrophobicContact CZ3-CG2 4.18Å; W87-T173 PolarHBondContact NE1-O 2.91Å
88	R	92.9	Very high	93.1	Very high	113 Å²	113	49.5 Å²	49.5	43%	0.426	25%	0.249	S	C	.	.	H	α-helix	trans	-59.9	-49.8	175.1	176.2	176.5	161.3	134.8	-21.5	110.5	L15 V84 I86 T92	L15-R88 VanDerWaalsContact CA-NH2 3.32Å; L15-R88 VanDerWaalsContact CD2-NH1 3.31Å; L15-R88 PolarHBondContact O-NE 2.86Å; L15-R88 PolarHBondContact O-NH2 3.17Å; V84-R88 VanDerWaalsContact O-CB 3.25Å; V84-R88 WeakPolarHBondContact O-CB 3.48Å; V84-R88 PolarHBondContact O-N 3.07Å; I86-R88 VanDerWaalsContact C-N 3.33Å; I86-R88 PolarHBondContact O-N 2.93Å; R88-T92 PolarHBondContact O-N 2.87Å; R88-T92 PolarHBondContact O-OG1 3.13Å; R88-T92 VanDerWaalsContact O-OG1 3.04Å
89	Y	92.3	Very high	92.7	Very high	10 Å²	10	50.2 Å²	50.2	4%	0.039	25%	0.254	C	S	.	.	H	α-helix	trans	-59.8	-56.6	179.1	-173.8	-77.1	0	0	0	112	I16 R85 I86 G91 T92 V93 Y108 D111 I113 I114	I16-Y89 HydrophobicContact CB-CD2 4.46Å; I16-Y89 HydrophobicContact CB-CE2 4.45Å; I16-Y89 HydrophobicContact CG1-CD2 4.23Å; I16-Y89 HydrophobicContact CG1-CE2 4.45Å; I16-Y89 HydrophobicContact CG2-CD2 3.64Å; I16-Y89 HydrophobicContact CG2-CE2 3.26Å; R85-Y89 PolarHBondContact O-N 3.37Å; R85-Y89 VanDerWaalsContact O-N 3.12Å; I86-Y89 PolarHBondContact O-N 2.95Å; Y89-G91 VanDerWaalsContact C-N 3.29Å; Y89-G91 PolarHBondContact O-N 3.32Å; Y89-T92 PolarHBondContact O-N 2.92Å; Y89-T92 VanDerWaalsContact O-N 3.15Å; Y89-V93 HydrophobicContact CD1-CG2 3.98Å; Y89-V93 HydrophobicContact CE1-CG2 3.55Å; Y89-V93 WeakPolarHBondContact O-CG2 3.45Å; Y89-V93 PolarHBondContact O-N 2.88Å; Y89-Y108 HydrophobicContact CE1-CD2 4.16Å; Y89-Y108 HydrophobicContact CE1-CG 4.36Å; Y89-D111 HydrophobicContact CE2-CB 4.2Å; Y89-D111 VanDerWaalsContact CE2-CG 3.42Å; Y89-D111 WeakPolarHBondContact CE2-OD1 3.49Å; Y89-D111 WeakPolarHBondContact CE2-OD2 3.44Å; Y89-D111 WeakPolarHBondContact OH-CB 3.44Å; Y89-D111 PolarHBondContact OH-OD2 2.97Å; Y89-I113 HydrophobicContact CD2-CB 4.19Å; Y89-I113 HydrophobicContact CD2-CD1 3.75Å; Y89-I113 HydrophobicContact CD2-CG2 4.18Å; Y89-I113 HydrophobicContact CE2-CB 4.33Å; Y89-I113 HydrophobicContact CE2-CD1 3.97Å; Y89-I114 HydrophobicContact CD1-CD1 3.63Å; Y89-I114 HydrophobicContact CD1-CG1 3.9Å; Y89-I114 HydrophobicContact CE1-CD1 3.81Å; Y89-I114 HydrophobicContact CE1-CG1 3.6Å; Y89-I114 HydrophobicContact CE2-CG1 4.32Å; Y89-I114 HydrophobicContact CG-CD1 4.22Å; Y89-I114 HydrophobicContact CG-CG1 4.43Å
90	M	92.7	Very high	92.2	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-65.1	-34.5	-177.2	-70.1	-61.3	-64.2	0	0	112	I86 L94 T102 Y108 I114 W170 T173	I86-M90 HydrophobicContact CG2-CG 3.96Å; I86-M90 WeakPolarHBondContact O-CB 3.47Å; I86-M90 WeakPolarHBondContact O-CG 3.4Å; I86-M90 PolarHBondContact O-N 3.36Å; M90-L94 VanDerWaalsContact O-CB 3.22Å; M90-L94 WeakPolarHBondContact O-CB 3.13Å; M90-L94 PolarHBondContact O-N 3.33Å; M90-T102 HydrophobicContact CE-CG2 4.23Å; M90-Y108 HydrophobicContact CE-CE1 4.34Å; M90-Y108 HydrophobicContact CE-CE2 4.04Å; M90-Y108 HydrophobicContact SD-CD2 3.91Å; M90-Y108 HydrophobicContact SD-CE2 3.53Å; M90-Y108 VanDerWaalsContact SD-CE2 3.53Å; M90-I114 HydrophobicContact SD-CD1 4.31Å; M90-W170 HydrophobicContact CB-CH2 4.47Å; M90-W170 HydrophobicContact CE-CD2 4.17Å; M90-W170 HydrophobicContact CE-CG 4.25Å; M90-W170 HydrophobicContact CE-CZ2 4.38Å; M90-T173 WeakPolarHBondContact CG-OG1 3.33Å
91	G	91.8	Very high	91.7	Very high	14 Å²	14	51.7 Å²	51.7	14%	0.144	26%	0.258	C	S	.	.	H	α-helix	trans	-60.9	-49.7	171.5	0	0	0	0	0	111.6	W87 Y89 V93 L94 F95	W87-G91 WeakPolarHBondContact O-CA 3.4Å; W87-G91 PolarHBondContact O-N 3.43Å; Y89-G91 VanDerWaalsContact C-N 3.29Å; Y89-G91 PolarHBondContact O-N 3.32Å; G91-V93 PolarHBondContact O-N 2.87Å; G91-L94 WeakPolarHBondContact O-CB 3.31Å; G91-L94 PolarHBondContact O-N 2.81Å; G91-F95 WeakPolarHBondContact O-CD2 3.35Å; G91-F95 PolarHBondContact O-N 3.22Å
92	T	90.3	Very high	91.2	Very high	16 Å²	16	46.8 Å²	46.8	10%	0.098	23%	0.233	C	C	.	.	H	α-helix	trans	-58.8	-49.9	176.9	-59	0	0	0	0	111.1	E12 I16 R88 Y89 L94 F95 T96	E12-T92 HydrophobicContact CG-CG2 3.93Å; I16-T92 HydrophobicContact CD1-CG2 3.61Å; I16-T92 HydrophobicContact CG1-CG2 4.24Å; R88-T92 PolarHBondContact O-N 2.87Å; R88-T92 PolarHBondContact O-OG1 3.13Å; R88-T92 VanDerWaalsContact O-OG1 3.04Å; Y89-T92 PolarHBondContact O-N 2.92Å; Y89-T92 VanDerWaalsContact O-N 3.15Å; T92-L94 VanDerWaalsContact C-N 3.28Å; T92-L94 PolarHBondContact O-N 2.93Å; T92-F95 PolarHBondContact O-N 3.27Å; T92-T96 HydrophobicContact CG2-CG2 4.14Å; T92-T96 WeakPolarHBondContact O-CB 3.5Å; T92-T96 WeakPolarHBondContact O-CG2 3.29Å; T92-T96 PolarHBondContact O-N 3.1Å; T92-T96 PolarHBondContact O-OG1 2.73Å
93	V	89.3	Confident	90.8	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-61.7	-37.3	178.8	-175.9	0	0	0	0	111.7	Y89 G91 Q97 G98 T102	Y89-V93 HydrophobicContact CD1-CG2 3.98Å; Y89-V93 HydrophobicContact CE1-CG2 3.55Å; Y89-V93 WeakPolarHBondContact O-CG2 3.45Å; Y89-V93 PolarHBondContact O-N 2.88Å; G91-V93 PolarHBondContact O-N 2.87Å; V93-Q97 HydrophobicContact CG1-CB 4.22Å; V93-Q97 HydrophobicContact CG1-CG 4.27Å; V93-Q97 WeakPolarHBondContact O-CA 3.33Å; V93-Q97 WeakPolarHBondContact O-CB 3.48Å; V93-Q97 PolarHBondContact O-N 2.91Å; V93-G98 PolarHBondContact O-N 3.27Å; V93-T102 HydrophobicContact CB-CG2 3.89Å; V93-T102 HydrophobicContact CG1-CG2 3.5Å; V93-T102 VanDerWaalsContact CG1-CG2 3.5Å
94	L	91.4	Very high	90.2	Very high	50 Å²	50	45.8 Å²	45.8	26%	0.262	23%	0.226	S	C	.	.	H	α-helix	trans	-61.9	-47.2	175.7	175.1	63.4	0	0	0	112	M90 G91 T92 T96 G98 L99 T102 W170	M90-L94 VanDerWaalsContact O-CB 3.22Å; M90-L94 WeakPolarHBondContact O-CB 3.13Å; M90-L94 PolarHBondContact O-N 3.33Å; G91-L94 WeakPolarHBondContact O-CB 3.31Å; G91-L94 PolarHBondContact O-N 2.81Å; T92-L94 VanDerWaalsContact C-N 3.28Å; T92-L94 PolarHBondContact O-N 2.93Å; L94-T96 VanDerWaalsContact C-N 3.32Å; L94-T96 PolarHBondContact O-N 3.26Å; L94-G98 WeakPolarHBondContact O-CA 3.36Å; L94-G98 PolarHBondContact O-N 3.11Å; L94-L99 HydrophobicContact CD1-CB 3.82Å; L94-L99 HydrophobicContact CD1-CD1 3.82Å; L94-L99 HydrophobicContact CD1-CG 4.45Å; L94-T102 HydrophobicContact CB-CG2 4.39Å; L94-W170 HydrophobicContact CB-CH2 4.43Å; L94-W170 HydrophobicContact CB-CZ2 4.13Å; L94-W170 HydrophobicContact CD1-CZ2 4.3Å; L94-W170 HydrophobicContact CD2-CH2 3.8Å; L94-W170 HydrophobicContact CD2-CZ2 3.92Å; L94-W170 HydrophobicContact CG-CZ2 4.34Å
95	F	89.6	Confident	89.5	Confident	179 Å²	179	43.8 Å²	43.8	79%	0.785	21%	0.21	S	C	*	.	H	α-helix	trans	-72.4	-26.2	-177.3	-73.7	-64	0	0	0	113.2	G91 T92	G91-F95 WeakPolarHBondContact O-CD2 3.35Å; G91-F95 PolarHBondContact O-N 3.22Å; T92-F95 PolarHBondContact O-N 3.27Å
96	T	86.7	Confident	88.8	Confident	60 Å²	60	43.3 Å²	43.3	37%	0.368	21%	0.21	S	C	.	.	H	α-helix	trans	-101.3	-36.5	-172.1	64.1	0	0	0	0	112.6	E12 T92 L94	E12-T96 VanDerWaalsContact CD-CG2 3.45Å; E12-T96 HydrophobicContact CG-CG2 3.77Å; E12-T96 WeakPolarHBondContact OE1-CB 3.43Å; E12-T96 WeakPolarHBondContact OE1-CG2 3.45Å; T92-T96 HydrophobicContact CG2-CG2 4.14Å; T92-T96 WeakPolarHBondContact O-CB 3.5Å; T92-T96 WeakPolarHBondContact O-CG2 3.29Å; T92-T96 PolarHBondContact O-N 3.1Å; T92-T96 PolarHBondContact O-OG1 2.73Å; L94-T96 VanDerWaalsContact C-N 3.32Å; L94-T96 PolarHBondContact O-N 3.26Å
97	Q	86.1	Confident	88.2	Confident	101 Å²	101	47.4 Å²	47.4	47%	0.472	24%	0.235	S	C	.	.	H	α-helix	trans	-112.1	-11.4	-177.2	-52.8	177.6	17.3	0	0	113	V93 Q101	V93-Q97 HydrophobicContact CG1-CB 4.22Å; V93-Q97 HydrophobicContact CG1-CG 4.27Å; V93-Q97 WeakPolarHBondContact O-CA 3.33Å; V93-Q97 WeakPolarHBondContact O-CB 3.48Å; V93-Q97 PolarHBondContact O-N 2.91Å; Q97-Q101 HydrophobicContact CB-CB 3.79Å; Q97-Q101 HydrophobicContact CB-CG 3.8Å; Q97-Q101 VanDerWaalsContact OE1-CG 3.25Å
98	G	88.8	Confident	87.8	Confident	29 Å²	29	42.5 Å²	42.5	30%	0.299	22%	0.217	S	C	.	.			trans	86.8	168.6	176.8	0	0	0	0	0	114.6	V93 L94 K100 Q101	V93-G98 PolarHBondContact O-N 3.27Å; L94-G98 WeakPolarHBondContact O-CA 3.36Å; L94-G98 PolarHBondContact O-N 3.11Å; G98-K100 VanDerWaalsContact C-N 3.33Å; G98-K100 PolarHBondContact O-N 3.34Å; G98-Q101 PolarHBondContact O-N 3.25Å
99	L	89.7	Confident	87.5	Confident	60 Å²	60	38 Å²	38	31%	0.314	20%	0.201	S	C	.	.	H	α-helix	trans	-63.7	-38	-174	-176	62.3	0	0	0	112.9	L94 Q101 T102 V103 F217 L220 W224	L94-L99 HydrophobicContact CD1-CB 3.82Å; L94-L99 HydrophobicContact CD1-CD1 3.82Å; L94-L99 HydrophobicContact CD1-CG 4.45Å; L99-Q101 VanDerWaalsContact C-N 3.28Å; L99-Q101 PolarHBondContact O-N 3.08Å; L99-T102 PolarHBondContact O-N 3.26Å; L99-T102 PolarHBondContact O-OG1 3.16Å; L99-V103 HydrophobicContact CD1-CG2 3.69Å; L99-V103 HydrophobicContact CG-CG2 4.05Å; L99-V103 WeakPolarHBondContact O-CB 2.99Å; L99-V103 WeakPolarHBondContact O-CG2 3.18Å; L99-V103 PolarHBondContact O-N 3.02Å; L99-F217 HydrophobicContact CD1-CE1 4Å; L99-L220 HydrophobicContact CD2-CD1 4.08Å; L99-W224 HydrophobicContact CD2-CH2 4.12Å; L99-W224 HydrophobicContact CG-CH2 4.21Å; L99-W224 HydrophobicContact CG-CZ3 4.47Å
100	K	88.1	Confident	87.2	Confident	66 Å²	66	42.9 Å²	42.9	29%	0.287	23%	0.228	S	C	.	.	H	α-helix	trans	-65.3	-33.4	-177.3	-161.5	176.3	-171.4	174.8	0	112.8	G98 C104 F105 W224 E227	G98-K100 VanDerWaalsContact C-N 3.33Å; G98-K100 PolarHBondContact O-N 3.34Å; K100-C104 HydrophobicContact CG-CB 4.38Å; K100-C104 WeakPolarHBondContact O-CA 3.16Å; K100-C104 WeakPolarHBondContact O-CB 3.34Å; K100-C104 PolarHBondContact O-N 3.43Å; K100-F105 HydrophobicContact CD-CE2 4.05Å; K100-F105 HydrophobicContact CG-CD2 4.29Å; K100-F105 HydrophobicContact CG-CE2 3.84Å; K100-F105 PolarHBondContact O-N 3.37Å; K100-W224 HydrophobicContact CB-CE3 4.34Å; K100-W224 HydrophobicContact CB-CH2 4.49Å; K100-W224 HydrophobicContact CB-CZ3 4.2Å; K100-W224 HydrophobicContact CD-CD2 4.49Å; K100-W224 HydrophobicContact CG-CD2 3.96Å; K100-W224 HydrophobicContact CG-CE3 3.81Å; K100-W224 HydrophobicContact CG-CG 4.4Å; K100-W224 HydrophobicContact CG-CZ3 4.18Å; K100-E227 WeakPolarHBondContact CE-OE1 3.16Å; K100-E227 WeakPolarHBondContact CE-OE2 3.35Å; K100-E227 IonicContact NZ-OE1 2.62Å; K100-E227 PolarHBondContact NZ-OE1 2.86Å; K100-E227 IonicContact NZ-OE2 2.61Å; K100-E227 PolarHBondContact NZ-OE2 3.32Å
101	Q	86.4	Confident	87.1	Confident	40 Å²	40	45 Å²	45	19%	0.187	24%	0.239	C	C	.	.	I	π-helix	trans	-67.4	-43.8	176.1	-162.1	66.4	11.3	0	0	111.8	Q97 G98 L99 G106 T107	Q97-Q101 HydrophobicContact CB-CB 3.79Å; Q97-Q101 HydrophobicContact CB-CG 3.8Å; Q97-Q101 VanDerWaalsContact OE1-CG 3.25Å; G98-Q101 PolarHBondContact O-N 3.25Å; L99-Q101 VanDerWaalsContact C-N 3.28Å; L99-Q101 PolarHBondContact O-N 3.08Å; Q101-G106 PolarHBondContact O-N 3Å; Q101-G106 VanDerWaalsContact O-N 3.1Å; Q101-T107 PolarHBondContact NE2-OG1 3.43Å
102	T	87.2	Confident	87	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.247	C	C	.	.	I	π-helix	trans	-74.1	-24.6	179.8	60.7	0	0	0	0	113.7	M90 V93 L94 L99 Y108 P166 W170	M90-T102 HydrophobicContact CE-CG2 4.23Å; V93-T102 HydrophobicContact CB-CG2 3.89Å; V93-T102 HydrophobicContact CG1-CG2 3.5Å; V93-T102 VanDerWaalsContact CG1-CG2 3.5Å; L94-T102 HydrophobicContact CB-CG2 4.39Å; L99-T102 PolarHBondContact O-N 3.26Å; L99-T102 PolarHBondContact O-OG1 3.16Å; T102-Y108 WeakPolarHBondContact O-CE1 3.47Å; T102-Y108 PolarHBondContact O-OH 3.39Å; T102-P166 VanDerWaalsContact O-O 3.06Å; T102-W170 PolarHBondContact OG1-NE1 3.3Å
103	V	87.7	Confident	87	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.243	C	C	.	.	I	π-helix	trans	-99.7	-35.5	-176.9	173.5	0	0	0	0	112.9	L99 S167 F217 L220 N221 W224	L99-V103 HydrophobicContact CD1-CG2 3.69Å; L99-V103 HydrophobicContact CG-CG2 4.05Å; L99-V103 WeakPolarHBondContact O-CB 2.99Å; L99-V103 WeakPolarHBondContact O-CG2 3.18Å; L99-V103 PolarHBondContact O-N 3.02Å; V103-S167 PolarHBondContact O-N 3.46Å; V103-F217 HydrophobicContact CG2-CD1 3.92Å; V103-F217 HydrophobicContact CG2-CE1 4.38Å; V103-L220 HydrophobicContact CG1-CB 4.29Å; V103-N221 HydrophobicContact CG1-CB 3.83Å; V103-N221 PolarHBondContact O-ND2 2.88Å; V103-W224 HydrophobicContact CB-CE3 4.49Å; V103-W224 HydrophobicContact CB-CZ3 4.02Å; V103-W224 HydrophobicContact CG1-CE3 4.26Å; V103-W224 HydrophobicContact CG1-CZ3 4.03Å
104	C	85.1	Confident	87.1	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.007	24%	0.244	C	C	.	.	I	π-helix	trans	-113.3	-51.5	-169.5	-135.1	0	0	0	0	113.7	K100 P166 W224 C230	K100-C104 HydrophobicContact CG-CB 4.38Å; K100-C104 WeakPolarHBondContact O-CA 3.16Å; K100-C104 WeakPolarHBondContact O-CB 3.34Å; K100-C104 PolarHBondContact O-N 3.43Å; C104-P166 VanDerWaalsContact O-CB 3.27Å; C104-P166 WeakPolarHBondContact O-CB 3.49Å; C104-P166 VanDerWaalsContact O-CG 3.28Å; C104-P166 WeakPolarHBondContact O-CG 3.35Å; C104-W224 HydrophobicContact CB-CB 4.4Å; C104-W224 HydrophobicContact CB-CE3 4.4Å; C104-W224 WeakPolarHBondContact SG-CB 3.49Å; C104-C230 WeakPolarHBondContact CA-SG 3.33Å; C104-C230 HydrophobicContact CB-CB 3.89Å; C104-C230 WeakPolarHBondContact CB-SG 3.39Å; C104-C230 PolarHBondContact O-SG 2.88Å; C104-C230 VanDerWaalsContact O-SG 3.36Å; C104-C230 WeakPolarHBondContact SG-CB 3.39Å; C104-C230 CovalentContact SG-SG 2.01Å; C104-C230 PolarHBondContact SG-SG 3.48Å
105	F	81.3	Confident	87.1	Confident	54 Å²	54	46.4 Å²	46.4	24%	0.237	24%	0.242	C	C	.	.	I	π-helix	trans	-82.6	-30.6	-168.8	-69	-73.3	0	0	0	113.6	K100 T107 K228 G229	K100-F105 HydrophobicContact CD-CE2 4.05Å; K100-F105 HydrophobicContact CG-CD2 4.29Å; K100-F105 HydrophobicContact CG-CE2 3.84Å; K100-F105 PolarHBondContact O-N 3.37Å; F105-T107 PolarHBondContact O-N 2.88Å; F105-T107 VanDerWaalsContact O-N 3.12Å; F105-K228 WeakPolarHBondContact CE1-O 3.3Å; F105-G229 VanDerWaalsContact CD1-C 3.47Å; F105-G229 WeakPolarHBondContact CD1-O 3.4Å
106	G	79.6	Confident	87.3	Confident	7 Å²	7	39.4 Å²	39.4	7%	0.072	21%	0.212	C	C	.	.			trans	65.9	18.8	167.6	0	0	0	0	0	115.5	Q101 Y108 I109	Q101-G106 PolarHBondContact O-N 3Å; Q101-G106 VanDerWaalsContact O-N 3.1Å; G106-Y108 PolarHBondContact O-N 3.42Å; G106-I109 VanDerWaalsContact O-CB 3.28Å; G106-I109 WeakPolarHBondContact O-CB 3.01Å; G106-I109 WeakPolarHBondContact O-CD1 3.15Å; G106-I109 WeakPolarHBondContact O-CG1 3.15Å; G106-I109 PolarHBondContact O-N 3.12Å
107	T	81.6	Confident	87.7	Confident	86 Å²	86	37.4 Å²	37.4	53%	0.528	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-58.8	-22.2	-179.4	51.1	0	0	0	0	113.7	Q101 F105 I109	Q101-T107 PolarHBondContact NE2-OG1 3.43Å; F105-T107 PolarHBondContact O-N 2.88Å; F105-T107 VanDerWaalsContact O-N 3.12Å; T107-I109 VanDerWaalsContact C-N 3.3Å
108	Y	85.4	Confident	88	Confident	6 Å²	6	33.3 Å²	33.3	2%	0.024	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-78.1	-11.5	177.2	72.6	-89.6	0	0	0	113.7	Y89 M90 T102 G106 D110 D111 I114 P166 G169	Y89-Y108 HydrophobicContact CE1-CD2 4.16Å; Y89-Y108 HydrophobicContact CE1-CG 4.36Å; M90-Y108 HydrophobicContact CE-CE1 4.34Å; M90-Y108 HydrophobicContact CE-CE2 4.04Å; M90-Y108 HydrophobicContact SD-CD2 3.91Å; M90-Y108 HydrophobicContact SD-CE2 3.53Å; M90-Y108 VanDerWaalsContact SD-CE2 3.53Å; T102-Y108 WeakPolarHBondContact O-CE1 3.47Å; T102-Y108 PolarHBondContact O-OH 3.39Å; G106-Y108 PolarHBondContact O-N 3.42Å; Y108-D110 PolarHBondContact O-N 3.1Å; Y108-D111 WeakPolarHBondContact O-CB 3.19Å; Y108-D111 PolarHBondContact O-N 2.94Å; Y108-D111 VanDerWaalsContact O-N 3.12Å; Y108-I114 HydrophobicContact CD2-CD1 3.99Å; Y108-I114 HydrophobicContact CD2-CG1 3.91Å; Y108-I114 HydrophobicContact CD2-CG2 4.14Å; Y108-I114 HydrophobicContact CE2-CD1 4.24Å; Y108-I114 HydrophobicContact CE2-CG2 4.24Å; Y108-P166 PolarHBondContact OH-O 3.47Å; Y108-G169 VanDerWaalsContact OH-CA 3.31Å; Y108-G169 WeakPolarHBondContact OH-CA 3.47Å; Y108-G169 PolarHBondContact OH-N 3.45Å
109	I	85.8	Confident	88.3	Confident	19 Å²	19	32 Å²	32	10%	0.097	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-63.6	-33.3	-175.2	-66.4	169.7	0	0	0	110.8	R28 G106 T107 D111 R164 P166	R28-I109 VanDerWaalsContact CZ-O 3.27Å; R28-I109 PolarHBondContact NH1-O 3.35Å; R28-I109 PolarHBondContact NH2-O 3.16Å; G106-I109 VanDerWaalsContact O-CB 3.28Å; G106-I109 WeakPolarHBondContact O-CB 3.01Å; G106-I109 WeakPolarHBondContact O-CD1 3.15Å; G106-I109 WeakPolarHBondContact O-CG1 3.15Å; G106-I109 PolarHBondContact O-N 3.12Å; T107-I109 VanDerWaalsContact C-N 3.3Å; I109-D111 VanDerWaalsContact C-N 3.28Å; I109-D111 PolarHBondContact O-N 2.88Å; I109-R164 VanDerWaalsContact CD1-O 3.24Å; I109-R164 WeakPolarHBondContact CD1-O 3.18Å; I109-R164 HydrophobicContact CG2-CB 4.29Å; I109-P166 HydrophobicContact CD1-CB 4.4Å; I109-P166 HydrophobicContact CD1-CG 4.35Å
110	D	86.8	Confident	88.5	Confident	111 Å²	111	31.3 Å²	31.3	59%	0.594	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	-86.7	1.8	180	-65.5	-42.1	0	0	0	114	R28 Y108 T112 K115 R164	R28-D110 IonicContact NH1-OD1 3.27Å; R28-D110 PolarHBondContact NH1-OD1 2.91Å; Y108-D110 PolarHBondContact O-N 3.1Å; D110-T112 PolarHBondContact O-N 2.71Å; D110-K115 WeakPolarHBondContact O-CD 3.32Å; D110-R164 IonicContact OD1-NH1 3.77Å
111	D	89.6	Confident	88.9	Confident	44 Å²	44	29 Å²	29	24%	0.235	15%	0.153	C	C	.	.	S	Bend	trans	-66.3	130.2	171.5	-173.2	-69.9	0	0	0	111.3	Y89 Y108 I109 I113 I114 K115	Y89-D111 HydrophobicContact CE2-CB 4.2Å; Y89-D111 VanDerWaalsContact CE2-CG 3.42Å; Y89-D111 WeakPolarHBondContact CE2-OD1 3.49Å; Y89-D111 WeakPolarHBondContact CE2-OD2 3.44Å; Y89-D111 WeakPolarHBondContact OH-CB 3.44Å; Y89-D111 PolarHBondContact OH-OD2 2.97Å; Y108-D111 WeakPolarHBondContact O-CB 3.19Å; Y108-D111 PolarHBondContact O-N 2.94Å; Y108-D111 VanDerWaalsContact O-N 3.12Å; I109-D111 VanDerWaalsContact C-N 3.28Å; I109-D111 PolarHBondContact O-N 2.88Å; D111-I113 PolarHBondContact O-N 2.87Å; D111-I113 VanDerWaalsContact O-N 3.09Å; D111-I113 WeakPolarHBondContact OD1-CB 3.31Å; D111-I113 PolarHBondContact OD1-N 2.76Å; D111-I114 HydrophobicContact CB-CB 4.45Å; D111-I114 HydrophobicContact CB-CG1 4.33Å; D111-I114 CarbonylContact O-C 3.58Å; D111-I114 WeakPolarHBondContact O-CA 3.41Å; D111-I114 WeakPolarHBondContact O-CB 3.26Å; D111-I114 PolarHBondContact O-N 3.27Å; D111-K115 VanDerWaalsContact O-CG 3.26Å; D111-K115 WeakPolarHBondContact O-CG 3.27Å; D111-K115 PolarHBondContact O-N 2.78Å
112	T	89.8	Confident	89.3	Confident	53 Å²	53	27.2 Å²	27.2	33%	0.325	15%	0.145	S	C	.	.	H	α-helix	trans	-46.5	-41.6	-177.4	-54.9	0	0	0	0	113.8	P18 E22 M23 D110 I114 K115 F116	P18-T112 HydrophobicContact CB-CG2 4.43Å; E22-T112 WeakPolarHBondContact O-CG2 3.43Å; M23-T112 HydrophobicContact CG-CG2 4.04Å; D110-T112 PolarHBondContact O-N 2.71Å; T112-I114 VanDerWaalsContact C-N 3.34Å; T112-I114 PolarHBondContact O-N 2.91Å; T112-K115 PolarHBondContact O-N 3.38Å; T112-F116 WeakPolarHBondContact O-CB 3.16Å; T112-F116 PolarHBondContact O-N 3.43Å
113	I	91.4	Very high	89.7	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.7	-47.2	179.4	-62.4	164.5	0	0	0	109.4	I16 P18 R85 I86 Y89 D111 F116 W117	I16-I113 HydrophobicContact CG2-CD1 3.95Å; I16-I113 WeakPolarHBondContact O-CD1 3.41Å; P18-I113 HydrophobicContact CB-CG1 4.07Å; R85-I113 HydrophobicContact CG-CG2 4.1Å; R85-I113 VanDerWaalsContact CZ-CD1 3.5Å; I86-I113 HydrophobicContact CD1-CG2 4.21Å; Y89-I113 HydrophobicContact CD2-CB 4.19Å; Y89-I113 HydrophobicContact CD2-CD1 3.75Å; Y89-I113 HydrophobicContact CD2-CG2 4.18Å; Y89-I113 HydrophobicContact CE2-CB 4.33Å; Y89-I113 HydrophobicContact CE2-CD1 3.97Å; D111-I113 PolarHBondContact O-N 2.87Å; D111-I113 VanDerWaalsContact O-N 3.09Å; D111-I113 WeakPolarHBondContact OD1-CB 3.31Å; D111-I113 PolarHBondContact OD1-N 2.76Å; I113-F116 PolarHBondContact O-N 3.06Å; I113-W117 WeakPolarHBondContact O-CB 3.49Å; I113-W117 VanDerWaalsContact O-CD1 3.22Å; I113-W117 PolarHBondContact O-N 3.47Å
114	I	91.9	Very high	90.1	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.026	16%	0.161	C	C	.	.	H	α-helix	trans	-68.7	-39	-178.6	-61.6	-76.3	0	0	0	109.9	I86 Y89 M90 Y108 D111 T112 F116 S118 M172	I86-I114 HydrophobicContact CD1-CD1 4.05Å; Y89-I114 HydrophobicContact CD1-CD1 3.63Å; Y89-I114 HydrophobicContact CD1-CG1 3.9Å; Y89-I114 HydrophobicContact CE1-CD1 3.81Å; Y89-I114 HydrophobicContact CE1-CG1 3.6Å; Y89-I114 HydrophobicContact CE2-CG1 4.32Å; Y89-I114 HydrophobicContact CG-CD1 4.22Å; Y89-I114 HydrophobicContact CG-CG1 4.43Å; M90-I114 HydrophobicContact SD-CD1 4.31Å; Y108-I114 HydrophobicContact CD2-CD1 3.99Å; Y108-I114 HydrophobicContact CD2-CG1 3.91Å; Y108-I114 HydrophobicContact CD2-CG2 4.14Å; Y108-I114 HydrophobicContact CE2-CD1 4.24Å; Y108-I114 HydrophobicContact CE2-CG2 4.24Å; D111-I114 HydrophobicContact CB-CB 4.45Å; D111-I114 HydrophobicContact CB-CG1 4.33Å; D111-I114 CarbonylContact O-C 3.58Å; D111-I114 WeakPolarHBondContact O-CA 3.41Å; D111-I114 WeakPolarHBondContact O-CB 3.26Å; D111-I114 PolarHBondContact O-N 3.27Å; T112-I114 VanDerWaalsContact C-N 3.34Å; T112-I114 PolarHBondContact O-N 2.91Å; I114-F116 PolarHBondContact O-N 2.8Å; I114-S118 WeakPolarHBondContact O-CB 3.3Å; I114-S118 PolarHBondContact O-N 3.14Å; I114-S118 PolarHBondContact O-OG 3.32Å; I114-M172 HydrophobicContact CD1-CE 4.38Å
115	K	91.4	Very high	90.6	Very high	53 Å²	53	30.2 Å²	30.2	23%	0.23	16%	0.161	C	C	.	.	H	α-helix	trans	-56.1	-50.4	172.9	-45.6	-171.7	60.9	-177.6	0	112	D26 R28 D110 D111 T112 S118 S119	D26-K115 VanDerWaalsContact CG-NZ 3.33Å; D26-K115 WeakPolarHBondContact OD1-CE 3.46Å; D26-K115 IonicContact OD1-NZ 2.66Å; D26-K115 VanDerWaalsContact OD2-CE 3.29Å; D26-K115 WeakPolarHBondContact OD2-CE 3.48Å; D26-K115 IonicContact OD2-NZ 3.51Å; D26-K115 PolarHBondContact OD2-NZ 2.94Å; R28-K115 VanDerWaalsContact CD-CE 3.42Å; D110-K115 WeakPolarHBondContact O-CD 3.32Å; D111-K115 VanDerWaalsContact O-CG 3.26Å; D111-K115 WeakPolarHBondContact O-CG 3.27Å; D111-K115 PolarHBondContact O-N 2.78Å; T112-K115 PolarHBondContact O-N 3.38Å; K115-S118 PolarHBondContact O-OG 3.27Å; K115-S119 WeakPolarHBondContact O-CB 3.42Å; K115-S119 PolarHBondContact O-N 2.93Å; K115-S119 PolarHBondContact O-OG 3.41Å
116	F	92.6	Very high	91.3	Very high	33 Å²	33	30 Å²	30	15%	0.145	16%	0.161	C	C	.	.	H	α-helix	trans	-64.2	-54.6	-177.6	-179.6	-97.6	0	0	0	111.7	F21 E22 T112 I113 I114 S118 S119 L120	F21-F116 AromaticContact CD2-CE1 3.82Å; F21-F116 HydrophobicContact CD2-CE1 3.82Å; F21-F116 HydrophobicContact CD2-CE2 4.41Å; F21-F116 AromaticContact CD2-CZ 3.7Å; F21-F116 HydrophobicContact CD2-CZ 3.7Å; F21-F116 HydrophobicContact CE2-CD1 4.43Å; F21-F116 AromaticContact CE2-CE1 3.74Å; F21-F116 HydrophobicContact CE2-CE1 3.74Å; F21-F116 HydrophobicContact CE2-CZ 4.11Å; F21-F116 VanDerWaalsContact O-CE2 3.32Å; F21-F116 WeakPolarHBondContact O-CE2 3.35Å; E22-F116 HydrophobicContact CB-CB 4.19Å; E22-F116 HydrophobicContact CB-CD1 4.34Å; E22-F116 HydrophobicContact CB-CG 4.15Å; E22-F116 HydrophobicContact CG-CD1 3.88Å; E22-F116 HydrophobicContact CG-CE1 4.3Å; E22-F116 HydrophobicContact CG-CG 4.22Å; T112-F116 WeakPolarHBondContact O-CB 3.16Å; T112-F116 PolarHBondContact O-N 3.43Å; I113-F116 PolarHBondContact O-N 3.06Å; I114-F116 PolarHBondContact O-N 2.8Å; F116-S118 PolarHBondContact O-N 2.99Å; F116-S119 WeakPolarHBondContact O-CB 3.27Å; F116-S119 PolarHBondContact O-N 3.37Å; F116-L120 HydrophobicContact CD1-CD1 4.08Å; F116-L120 HydrophobicContact CE1-CD1 3.38Å; F116-L120 HydrophobicContact CE1-CG 4.24Å; F116-L120 HydrophobicContact CE2-CD1 4.44Å; F116-L120 HydrophobicContact CZ-CD1 3.6Å; F116-L120 HydrophobicContact CZ-CG 4.31Å; F116-L120 PolarHBondContact O-N 3.17Å; F116-L120 VanDerWaalsContact O-N 3.08Å
117	W	94.4	Very high	92.1	Very high	17 Å²	17	32.9 Å²	32.9	6%	0.064	18%	0.177	C	C	.	.	H	α-helix	trans	-71	-34	-175.1	-77.1	99.9	0	0	0	113.6	E22 F78 L81 R85 I86 I113 S119 L120 F121	E22-W117 PolarHBondContact OE1-NE1 3.43Å; F78-W117 HydrophobicContact CD2-CZ3 4.44Å; F78-W117 HydrophobicContact CE2-CZ3 4.06Å; L81-W117 HydrophobicContact CB-CH2 3.83Å; R85-W117 HydrophobicContact CB-CZ2 4.1Å; R85-W117 HydrophobicContact CG-CZ2 4.19Å; R85-W117 VanDerWaalsContact CG-NE1 3.27Å; I86-W117 HydrophobicContact CD1-CB 3.41Å; I86-W117 VanDerWaalsContact CD1-CB 3.41Å; I86-W117 HydrophobicContact CD1-CG 3.62Å; I86-W117 HydrophobicContact CG1-CB 3.83Å; I86-W117 HydrophobicContact CG1-CD2 4.43Å; I86-W117 HydrophobicContact CG1-CG 3.95Å; I113-W117 WeakPolarHBondContact O-CB 3.49Å; I113-W117 VanDerWaalsContact O-CD1 3.22Å; I113-W117 PolarHBondContact O-N 3.47Å; W117-S119 VanDerWaalsContact C-N 3.29Å; W117-S119 PolarHBondContact O-N 3.21Å; W117-L120 HydrophobicContact CE3-CD1 4.43Å; W117-L120 HydrophobicContact CZ3-CD1 4.5Å; W117-L120 PolarHBondContact O-N 3.05Å; W117-F121 VanDerWaalsContact O-CB 3.24Å; W117-F121 WeakPolarHBondContact O-CB 3.5Å; W117-F121 PolarHBondContact O-N 2.61Å
118	S	94	Very high	92.9	Very high	16 Å²	16	28.8 Å²	28.8	11%	0.112	15%	0.152	C	C	.	.	H	α-helix	trans	-64.4	-36.2	172.3	59.1	0	0	0	0	111.9	I114 K115 F116 F121 V122 F161	I114-S118 WeakPolarHBondContact O-CB 3.3Å; I114-S118 PolarHBondContact O-N 3.14Å; I114-S118 PolarHBondContact O-OG 3.32Å; K115-S118 PolarHBondContact O-OG 3.27Å; F116-S118 PolarHBondContact O-N 2.99Å; S118-F121 WeakPolarHBondContact O-CB 3.42Å; S118-F121 PolarHBondContact O-N 2.76Å; S118-V122 WeakPolarHBondContact O-CG2 3.48Å; S118-V122 PolarHBondContact O-N 3.32Å; S118-F161 WeakPolarHBondContact OG-CE2 3.14Å
119	S	93.8	Very high	93.5	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.007	16%	0.156	C	C	.	.	H	α-helix	trans	-65.2	-47.7	176.3	-59.7	0	0	0	0	111.2	L31 K115 F116 W117 F121 V122 L123	L31-S119 VanDerWaalsContact CD1-CA 3.49Å; L31-S119 VanDerWaalsContact CD1-CB 3.45Å; K115-S119 WeakPolarHBondContact O-CB 3.42Å; K115-S119 PolarHBondContact O-N 2.93Å; K115-S119 PolarHBondContact O-OG 3.41Å; F116-S119 WeakPolarHBondContact O-CB 3.27Å; F116-S119 PolarHBondContact O-N 3.37Å; W117-S119 VanDerWaalsContact C-N 3.29Å; W117-S119 PolarHBondContact O-N 3.21Å; S119-F121 VanDerWaalsContact C-N 3.29Å; S119-F121 PolarHBondContact O-N 2.83Å; S119-V122 PolarHBondContact O-N 3.38Å; S119-L123 WeakPolarHBondContact O-CG 3.5Å; S119-L123 PolarHBondContact O-N 3.11Å; S119-L123 VanDerWaalsContact O-N 3.14Å
120	L	94.8	Very high	94	Very high	46 Å²	46	29.4 Å²	29.4	24%	0.241	16%	0.16	C	C	.	.	H	α-helix	trans	-63.9	-35.1	175.6	-65.4	-173.9	0	0	0	112.5	F78 F116 W117 L123 S124	F78-L120 HydrophobicContact CE2-CB 3.81Å; F78-L120 HydrophobicContact CE2-CD1 4.16Å; F78-L120 HydrophobicContact CZ-CB 4.03Å; F116-L120 HydrophobicContact CD1-CD1 4.08Å; F116-L120 HydrophobicContact CE1-CD1 3.38Å; F116-L120 HydrophobicContact CE1-CG 4.24Å; F116-L120 HydrophobicContact CE2-CD1 4.44Å; F116-L120 HydrophobicContact CZ-CD1 3.6Å; F116-L120 HydrophobicContact CZ-CG 4.31Å; F116-L120 PolarHBondContact O-N 3.17Å; F116-L120 VanDerWaalsContact O-N 3.08Å; W117-L120 HydrophobicContact CE3-CD1 4.43Å; W117-L120 HydrophobicContact CZ3-CD1 4.5Å; W117-L120 PolarHBondContact O-N 3.05Å; L120-L123 PolarHBondContact O-N 3.28Å; L120-S124 WeakPolarHBondContact O-CB 3.36Å; L120-S124 PolarHBondContact O-N 3.45Å
121	F	96	Very high	94.5	Very high	17 Å²	17	24.8 Å²	24.8	8%	0.075	14%	0.136	C	C	.	.	H	α-helix	trans	-63.7	-42.8	177.2	-179.8	-104	0	0	0	112.3	W117 S118 S119 S124 K125 T157 M172 N175 L176	W117-F121 VanDerWaalsContact O-CB 3.24Å; W117-F121 WeakPolarHBondContact O-CB 3.5Å; W117-F121 PolarHBondContact O-N 2.61Å; S118-F121 WeakPolarHBondContact O-CB 3.42Å; S118-F121 PolarHBondContact O-N 2.76Å; S119-F121 VanDerWaalsContact C-N 3.29Å; S119-F121 PolarHBondContact O-N 2.83Å; F121-S124 PolarHBondContact O-N 3.37Å; F121-S124 PolarHBondContact O-OG 3.24Å; F121-S124 VanDerWaalsContact O-OG 3.07Å; F121-K125 VanDerWaalsContact CE2-CE 3.49Å; F121-K125 PolarHBondContact O-N 2.99Å; F121-T157 HydrophobicContact CD1-CG2 3.54Å; F121-T157 HydrophobicContact CE1-CG2 3.47Å; F121-T157 VanDerWaalsContact CE1-CG2 3.47Å; F121-M172 HydrophobicContact CB-CG 4.13Å; F121-M172 HydrophobicContact CB-SD 3.88Å; F121-M172 HydrophobicContact CD1-CB 4.22Å; F121-M172 HydrophobicContact CD1-CG 4.09Å; F121-M172 HydrophobicContact CD1-SD 4.46Å; F121-M172 HydrophobicContact CD2-CG 3.85Å; F121-M172 HydrophobicContact CE1-CB 4.23Å; F121-M172 HydrophobicContact CE1-CG 4.47Å; F121-M172 HydrophobicContact CE2-CG 4.24Å; F121-M172 HydrophobicContact CG-CB 4.37Å; F121-M172 HydrophobicContact CG-CG 3.75Å; F121-M172 HydrophobicContact CG-SD 4.12Å; F121-M172 HydrophobicContact CZ-CB 4.37Å; F121-N175 HydrophobicContact CE2-CB 3.88Å; F121-N175 VanDerWaalsContact CE2-OD1 3.26Å; F121-N175 WeakPolarHBondContact CE2-OD1 3.45Å; F121-N175 HydrophobicContact CZ-CB 3.88Å; F121-L176 HydrophobicContact CD2-CD1 4.43Å; F121-L176 HydrophobicContact CD2-CD2 4.05Å; F121-L176 HydrophobicContact CD2-CG 4Å; F121-L176 HydrophobicContact CE2-CD2 4.49Å; F121-L176 HydrophobicContact CE2-CG 4.24Å
122	V	94.9	Very high	94.9	Very high	3 Å²	3	22.9 Å²	22.9	2%	0.018	13%	0.125	C	C	.	.	H	α-helix	trans	-61.3	-48.6	173.9	175.3	0	0	0	0	110.3	L31 Y34 S118 S119 S124 K125 T157 F161	L31-V122 HydrophobicContact CD2-CG1 4.46Å; Y34-V122 HydrophobicContact CD1-CG1 4.39Å; Y34-V122 HydrophobicContact CE1-CG1 4.47Å; S118-V122 WeakPolarHBondContact O-CG2 3.48Å; S118-V122 PolarHBondContact O-N 3.32Å; S119-V122 PolarHBondContact O-N 3.38Å; V122-S124 VanDerWaalsContact C-N 3.26Å; V122-S124 PolarHBondContact O-N 3.35Å; V122-K125 PolarHBondContact O-N 3.29Å; V122-K125 VanDerWaalsContact O-N 3.16Å; V122-T157 HydrophobicContact CB-CG2 4.36Å; V122-T157 HydrophobicContact CG2-CG2 3.82Å; V122-F161 HydrophobicContact CG2-CB 3.59Å; V122-F161 HydrophobicContact CG2-CD1 4.41Å; V122-F161 HydrophobicContact CG2-CD2 3.45Å; V122-F161 VanDerWaalsContact CG2-CD2 3.45Å; V122-F161 HydrophobicContact CG2-CE2 4.15Å; V122-F161 HydrophobicContact CG2-CG 3.57Å
123	L	94.6	Very high	95.2	Very high	56 Å²	56	22.5 Å²	22.5	29%	0.293	13%	0.128	S	C	.	.	H	α-helix	trans	-61.2	-36.3	178.9	-70.4	174	0	0	0	112.1	L27 L31 S119 L120 K125 I126 V127	L27-L123 HydrophobicContact CD1-CD1 4.33Å; L31-L123 HydrophobicContact CD1-CG 4.48Å; L31-L123 HydrophobicContact CD2-CD2 3.79Å; L31-L123 HydrophobicContact CD2-CG 4.11Å; S119-L123 WeakPolarHBondContact O-CG 3.5Å; S119-L123 PolarHBondContact O-N 3.11Å; S119-L123 VanDerWaalsContact O-N 3.14Å; L120-L123 PolarHBondContact O-N 3.28Å; L123-K125 PolarHBondContact O-N 2.88Å; L123-I126 HydrophobicContact CD2-CD1 3.89Å; L123-I126 WeakPolarHBondContact O-CB 3.37Å; L123-I126 PolarHBondContact O-N 3.41Å; L123-I126 VanDerWaalsContact O-N 3.11Å; L123-V127 PolarHBondContact O-N 2.98Å
124	S	96.8	Very high	95.5	Very high	7 Å²	7	24 Å²	24	5%	0.049	13%	0.134	C	C	.	.	H	α-helix	trans	-59.6	-35.2	178.6	96.1	0	0	0	0	111.5	F78 L120 F121 V122 I126 V127 E128	F78-S124 VanDerWaalsContact CE1-CB 3.42Å; L120-S124 WeakPolarHBondContact O-CB 3.36Å; L120-S124 PolarHBondContact O-N 3.45Å; F121-S124 PolarHBondContact O-N 3.37Å; F121-S124 PolarHBondContact O-OG 3.24Å; F121-S124 VanDerWaalsContact O-OG 3.07Å; V122-S124 VanDerWaalsContact C-N 3.26Å; V122-S124 PolarHBondContact O-N 3.35Å; S124-I126 PolarHBondContact O-N 3.45Å; S124-V127 WeakPolarHBondContact O-CB 3.42Å; S124-V127 PolarHBondContact O-N 2.81Å; S124-V127 VanDerWaalsContact O-N 3.08Å; S124-E128 WeakPolarHBondContact O-CB 3.33Å; S124-E128 WeakPolarHBondContact O-CG 3.42Å; S124-E128 PolarHBondContact O-N 3.1Å; S124-E128 PolarHBondContact OG-OE1 3.04Å
125	K	96.6	Very high	95.7	Very high	1 Å²	1	25.6 Å²	25.6	0%	0.004	14%	0.142	C	C	.	.	H	α-helix	trans	-63.4	-30.4	179.4	-55.9	-58.3	142.7	-157.9	0	113.1	F121 V122 L123 E128 V153 L154 T157 N175	F121-K125 VanDerWaalsContact CE2-CE 3.49Å; F121-K125 PolarHBondContact O-N 2.99Å; V122-K125 PolarHBondContact O-N 3.29Å; V122-K125 VanDerWaalsContact O-N 3.16Å; L123-K125 PolarHBondContact O-N 2.88Å; K125-E128 VanDerWaalsContact NZ-CD 3.27Å; K125-E128 IonicContact NZ-OE1 2.76Å; K125-E128 PolarHBondContact NZ-OE1 3.2Å; K125-E128 IonicContact NZ-OE2 2.97Å; K125-E128 PolarHBondContact NZ-OE2 2.83Å; K125-V153 HydrophobicContact CD-CG1 4.09Å; K125-V153 HydrophobicContact CD-CG2 4.33Å; K125-L154 HydrophobicContact CB-CB 4.39Å; K125-L154 HydrophobicContact CB-CD1 3.85Å; K125-T157 HydrophobicContact CG-CG2 4.15Å; K125-N175 PolarHBondContact NZ-OD1 3.37Å
126	I	95.4	Very high	96	Very high	49 Å²	49	23.8 Å²	23.8	25%	0.251	14%	0.135	S	C	.	.	H	α-helix	trans	-69.9	-48.2	173.1	-45	169	0	0	0	109.7	Y34 L123 S124 E128 L129 L154	Y34-I126 HydrophobicContact CE1-CD1 3.96Å; Y34-I126 HydrophobicContact CE1-CG1 4.4Å; Y34-I126 HydrophobicContact CE2-CD1 3.96Å; Y34-I126 WeakPolarHBondContact OH-CD1 3.46Å; Y34-I126 WeakPolarHBondContact OH-CG1 3.37Å; L123-I126 HydrophobicContact CD2-CD1 3.89Å; L123-I126 WeakPolarHBondContact O-CB 3.37Å; L123-I126 PolarHBondContact O-N 3.41Å; L123-I126 VanDerWaalsContact O-N 3.11Å; S124-I126 PolarHBondContact O-N 3.45Å; I126-E128 VanDerWaalsContact C-N 3.3Å; I126-E128 PolarHBondContact O-N 2.9Å; I126-L129 VanDerWaalsContact O-CB 3.26Å; I126-L129 WeakPolarHBondContact O-CB 3.45Å; I126-L129 WeakPolarHBondContact O-CG 3.38Å; I126-L129 PolarHBondContact O-N 2.87Å; I126-L129 VanDerWaalsContact O-N 3.16Å; I126-L154 HydrophobicContact CG1-CD1 3.94Å
127	V	97.3	Very high	96.2	Very high	67 Å²	67	25.1 Å²	25.1	41%	0.406	14%	0.143	S	C	.	.	H	α-helix	trans	-58.4	-47.3	179.2	179	0	0	0	0	109.3	W71 L75 L123 S124 L129 G130	W71-V127 HydrophobicContact CH2-CG1 3.5Å; W71-V127 VanDerWaalsContact CH2-CG1 3.5Å; W71-V127 WeakPolarHBondContact CH2-O 3.36Å; W71-V127 HydrophobicContact CZ2-CG1 3.87Å; W71-V127 WeakPolarHBondContact CZ2-O 3.38Å; W71-V127 HydrophobicContact CZ3-CG1 4.15Å; L75-V127 HydrophobicContact CD2-CG1 4.09Å; L123-V127 PolarHBondContact O-N 2.98Å; S124-V127 WeakPolarHBondContact O-CB 3.42Å; S124-V127 PolarHBondContact O-N 2.81Å; S124-V127 VanDerWaalsContact O-N 3.08Å; V127-L129 PolarHBondContact O-N 3.21Å; V127-G130 PolarHBondContact O-N 3.16Å
128	E	97.9	Very high	96.3	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-55.9	-22	179.4	-70.6	170.2	-154.1	0	0	114	L75 S124 K125 I126 G130 D131 H179 Y183	L75-E128 HydrophobicContact CD2-CG 4.46Å; S124-E128 WeakPolarHBondContact O-CB 3.33Å; S124-E128 WeakPolarHBondContact O-CG 3.42Å; S124-E128 PolarHBondContact O-N 3.1Å; S124-E128 PolarHBondContact OG-OE1 3.04Å; K125-E128 VanDerWaalsContact NZ-CD 3.27Å; K125-E128 IonicContact NZ-OE1 2.76Å; K125-E128 PolarHBondContact NZ-OE1 3.2Å; K125-E128 IonicContact NZ-OE2 2.97Å; K125-E128 PolarHBondContact NZ-OE2 2.83Å; I126-E128 VanDerWaalsContact C-N 3.3Å; I126-E128 PolarHBondContact O-N 2.9Å; E128-G130 PolarHBondContact O-N 3.32Å; E128-G130 VanDerWaalsContact O-N 3.14Å; E128-D131 VanDerWaalsContact O-CB 3.3Å; E128-D131 WeakPolarHBondContact O-CB 3.43Å; E128-D131 PolarHBondContact O-N 3.4Å; E128-H179 IonicContact OE1-CE1 3.77Å; E128-H179 IonicContact OE1-ND1 3.92Å; E128-H179 IonicContact OE2-CE1 2.84Å; E128-H179 PolarHBondContact OE2-CE1 2.98Å; E128-H179 VanDerWaalsContact OE2-CE1 3.27Å; E128-H179 IonicContact OE2-ND1 3.8Å; E128-Y183 WeakPolarHBondContact CG-OH 3.49Å
129	L	97.1	Very high	96.2	Very high	20 Å²	20	32 Å²	32	11%	0.105	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-25.2	171.3	-58.2	-176.5	0	0	0	112.6	I41 Y45 I126 V127 D131 T132 H150 L154	I41-L129 HydrophobicContact CG2-CD1 3.99Å; Y45-L129 HydrophobicContact CD1-CD2 4.38Å; Y45-L129 HydrophobicContact CD2-CB 3.91Å; Y45-L129 HydrophobicContact CD2-CD1 4.02Å; Y45-L129 HydrophobicContact CD2-CD2 3.91Å; Y45-L129 HydrophobicContact CD2-CG 4.16Å; Y45-L129 HydrophobicContact CE1-CD2 4.33Å; Y45-L129 HydrophobicContact CE2-CB 3.98Å; Y45-L129 HydrophobicContact CE2-CD2 3.84Å; Y45-L129 HydrophobicContact CE2-CG 4.38Å; Y45-L129 HydrophobicContact CG-CD1 4.16Å; Y45-L129 HydrophobicContact CG-CD2 4.17Å; I126-L129 VanDerWaalsContact O-CB 3.26Å; I126-L129 WeakPolarHBondContact O-CB 3.45Å; I126-L129 WeakPolarHBondContact O-CG 3.38Å; I126-L129 PolarHBondContact O-N 2.87Å; I126-L129 VanDerWaalsContact O-N 3.16Å; V127-L129 PolarHBondContact O-N 3.21Å; L129-D131 PolarHBondContact O-N 3.31Å; L129-T132 WeakPolarHBondContact O-CB 3.31Å; L129-T132 PolarHBondContact O-N 3.36Å; L129-T132 VanDerWaalsContact O-N 3.13Å; L129-H150 HydrophobicContact CD2-CB 3.92Å; L129-L154 HydrophobicContact CD1-CD2 4.03Å
130	G	97	Very high	96.3	Very high	17 Å²	17	39 Å²	39	18%	0.175	20%	0.196	C	C	.	.	H	α-helix	trans	-59.7	-24.8	173.6	0	0	0	0	0	113.8	V127 E128 T132 A133 F134	V127-G130 PolarHBondContact O-N 3.16Å; E128-G130 PolarHBondContact O-N 3.32Å; E128-G130 VanDerWaalsContact O-N 3.14Å; G130-T132 PolarHBondContact O-N 3.33Å; G130-A133 WeakPolarHBondContact O-CB 3.3Å; G130-A133 PolarHBondContact O-N 3.44Å; G130-F134 VanDerWaalsContact O-CD2 3.29Å; G130-F134 WeakPolarHBondContact O-CD2 3.48Å; G130-F134 PolarHBondContact O-N 3.25Å; G130-F134 VanDerWaalsContact O-N 3.08Å
131	D	97.3	Very high	96.2	Very high	15 Å²	15	42.3 Å²	42.3	8%	0.08	22%	0.22	C	C	.	.	H	α-helix	trans	-57.6	-40.6	174.3	-70.5	-16.9	0	0	0	111	W71 E128 L129 A133 F134 I135 Y183	W71-D131 PolarHBondContact NE1-OD1 3.01Å; E128-D131 VanDerWaalsContact O-CB 3.3Å; E128-D131 WeakPolarHBondContact O-CB 3.43Å; E128-D131 PolarHBondContact O-N 3.4Å; L129-D131 PolarHBondContact O-N 3.31Å; D131-A133 VanDerWaalsContact C-N 3.35Å; D131-A133 PolarHBondContact O-N 3.19Å; D131-F134 PolarHBondContact O-N 3.06Å; D131-I135 WeakPolarHBondContact O-CG1 3.43Å; D131-I135 PolarHBondContact O-N 2.87Å; D131-Y183 WeakPolarHBondContact OD2-CE1 3.24Å; D131-Y183 PolarHBondContact OD2-OH 3.41Å
132	T	97.6	Very high	96.1	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.018	22%	0.224	C	C	.	.	H	α-helix	trans	-65.4	-38.7	176.9	-53.6	0	0	0	0	111.8	Y45 I49 L129 G130 F134 I135 I136 L142 H146	Y45-T132 HydrophobicContact CE2-CG2 3.94Å; Y45-T132 PolarHBondContact OH-OG1 3.41Å; I49-T132 HydrophobicContact CD1-CG2 3.97Å; I49-T132 HydrophobicContact CG1-CG2 3.74Å; L129-T132 WeakPolarHBondContact O-CB 3.31Å; L129-T132 PolarHBondContact O-N 3.36Å; L129-T132 VanDerWaalsContact O-N 3.13Å; G130-T132 PolarHBondContact O-N 3.33Å; T132-F134 PolarHBondContact O-N 2.92Å; T132-I135 PolarHBondContact O-N 3.22Å; T132-I136 HydrophobicContact CG2-CD1 3.96Å; T132-I136 HydrophobicContact CG2-CG1 4.49Å; T132-I136 WeakPolarHBondContact O-CG1 3.43Å; T132-I136 PolarHBondContact O-N 3.43Å; T132-L142 HydrophobicContact CG2-CD1 3.89Å; T132-L142 HydrophobicContact CG2-CD2 3.91Å; T132-H146 PolarHBondContact OG1-CD2 2.81Å; T132-H146 PolarHBondContact OG1-NE2 3.07Å
133	A	96.9	Very high	96.1	Very high	46 Å²	46	46.6 Å²	46.6	38%	0.38	24%	0.243	S	C	.	.	H	α-helix	trans	-61	-44.9	175.6	0	0	0	0	0	110.9	G130 D131 I135 I136 L137	G130-A133 WeakPolarHBondContact O-CB 3.3Å; G130-A133 PolarHBondContact O-N 3.44Å; D131-A133 VanDerWaalsContact C-N 3.35Å; D131-A133 PolarHBondContact O-N 3.19Å; A133-I135 VanDerWaalsContact C-N 3.33Å; A133-I135 PolarHBondContact O-N 3.05Å; A133-I136 PolarHBondContact O-N 3.35Å; A133-L137 WeakPolarHBondContact O-CB 3.24Å; A133-L137 VanDerWaalsContact O-CG 3.23Å; A133-L137 WeakPolarHBondContact O-CG 3.36Å; A133-L137 PolarHBondContact O-N 2.81Å
134	F	97.1	Very high	96.1	Very high	30 Å²	30	48.9 Å²	48.9	13%	0.132	25%	0.25	C	S	.	.	H	α-helix	trans	-61.3	-38.7	174.7	-78.2	-72.4	0	0	0	113	L64 P67 L68 W71 G130 D131 T132 R138	L64-F134 HydrophobicContact CB-CD1 4.07Å; L64-F134 HydrophobicContact CB-CE1 4.11Å; L64-F134 HydrophobicContact CD1-CD1 4.03Å; L64-F134 HydrophobicContact CD1-CE1 4.31Å; P67-F134 HydrophobicContact CB-CE1 4.04Å; P67-F134 HydrophobicContact CB-CZ 4.26Å; L68-F134 HydrophobicContact CB-CD1 4.1Å; L68-F134 HydrophobicContact CB-CE1 4.13Å; L68-F134 HydrophobicContact CD1-CB 4.07Å; L68-F134 HydrophobicContact CD1-CD1 4.11Å; L68-F134 HydrophobicContact CD1-CD2 4.12Å; L68-F134 HydrophobicContact CD1-CG 3.84Å; W71-F134 HydrophobicContact CB-CE2 3.87Å; W71-F134 HydrophobicContact CB-CZ 4.06Å; W71-F134 AromaticContact CD1-CE2 3.86Å; W71-F134 HydrophobicContact CD2-CD2 4.49Å; W71-F134 AromaticContact CD2-CE2 3.66Å; W71-F134 HydrophobicContact CD2-CE2 3.66Å; W71-F134 HydrophobicContact CD2-CZ 4.49Å; W71-F134 HydrophobicContact CE3-CE2 4.14Å; W71-F134 HydrophobicContact CG-CD2 4.27Å; W71-F134 AromaticContact CG-CE2 3.52Å; W71-F134 HydrophobicContact CG-CE2 3.52Å; W71-F134 HydrophobicContact CG-CZ 4.2Å; G130-F134 VanDerWaalsContact O-CD2 3.29Å; G130-F134 WeakPolarHBondContact O-CD2 3.48Å; G130-F134 PolarHBondContact O-N 3.25Å; G130-F134 VanDerWaalsContact O-N 3.08Å; D131-F134 PolarHBondContact O-N 3.06Å; T132-F134 PolarHBondContact O-N 2.92Å; F134-R138 WeakPolarHBondContact O-CB 3.45Å; F134-R138 WeakPolarHBondContact O-CD 3.5Å; F134-R138 WeakPolarHBondContact O-CG 3.36Å; F134-R138 PolarHBondContact O-N 3.25Å; F134-R138 VanDerWaalsContact O-N 3.12Å
135	I	96.9	Very high	96	Very high	39 Å²	39	49.5 Å²	49.5	20%	0.2	25%	0.254	C	S	.	.	H	α-helix	trans	-62.1	-49.8	176.8	-69.7	168.5	0	0	0	110.5	D131 T132 A133 R138 K139 R140 L142	D131-I135 WeakPolarHBondContact O-CG1 3.43Å; D131-I135 PolarHBondContact O-N 2.87Å; T132-I135 PolarHBondContact O-N 3.22Å; A133-I135 VanDerWaalsContact C-N 3.33Å; A133-I135 PolarHBondContact O-N 3.05Å; I135-R138 PolarHBondContact O-N 3.08Å; I135-K139 PolarHBondContact O-N 3.04Å; I135-R140 HydrophobicContact CG2-CB 4.01Å; I135-R140 WeakPolarHBondContact CG2-O 3.38Å; I135-R140 PolarHBondContact O-N 3.43Å; I135-L142 HydrophobicContact CD1-CD1 4.2Å; I135-L142 HydrophobicContact CG2-CB 4Å; I135-L142 HydrophobicContact CG2-CD1 4.01Å
136	I	97.2	Very high	95.9	Very high	16 Å²	16	51.1 Å²	51.1	8%	0.082	26%	0.261	C	S	.	.	H	α-helix	trans	-64.8	-51.6	-178	-68.1	171.4	0	0	0	110.9	I49 G52 Q53 M56 T132 A133 R138 K139 L142	I49-I136 HydrophobicContact CB-CD1 4.27Å; I49-I136 HydrophobicContact CG1-CD1 4.15Å; I49-I136 HydrophobicContact CG2-CD1 4.24Å; G52-I136 VanDerWaalsContact C-CG2 3.47Å; Q53-I136 HydrophobicContact CG-CD1 4.35Å; Q53-I136 HydrophobicContact CG-CG1 4.27Å; M56-I136 HydrophobicContact CG-CG2 3.99Å; T132-I136 HydrophobicContact CG2-CD1 3.96Å; T132-I136 HydrophobicContact CG2-CG1 4.49Å; T132-I136 WeakPolarHBondContact O-CG1 3.43Å; T132-I136 PolarHBondContact O-N 3.43Å; A133-I136 PolarHBondContact O-N 3.35Å; I136-R138 PolarHBondContact O-N 3.28Å; I136-K139 PolarHBondContact O-N 2.84Å; I136-L142 HydrophobicContact CD1-CD2 4.33Å; I136-L142 HydrophobicContact CG1-CD2 4.4Å
137	L	96.7	Very high	95.9	Very high	60 Å²	60	52.7 Å²	52.7	31%	0.314	26%	0.264	S	S	.	.	H	α-helix	trans	-64.3	-28.7	-177	-67.7	175.5	0	0	0	112.5	M56 F62 L64 A133 K139	M56-L137 WeakPolarHBondContact CE-O 3.25Å; M56-L137 HydrophobicContact SD-CD2 4.17Å; F62-L137 HydrophobicContact CD2-CB 4.08Å; F62-L137 HydrophobicContact CD2-CD2 4.1Å; F62-L137 WeakPolarHBondContact CD2-O 2.91Å; F62-L137 HydrophobicContact CE2-CD2 4.04Å; F62-L137 PolarHBondContact N-O 3.06Å; L64-L137 HydrophobicContact CD1-CB 3.65Å; L64-L137 HydrophobicContact CD1-CD1 3.94Å; L64-L137 HydrophobicContact CD1-CG 4.47Å; A133-L137 WeakPolarHBondContact O-CB 3.24Å; A133-L137 VanDerWaalsContact O-CG 3.23Å; A133-L137 WeakPolarHBondContact O-CG 3.36Å; A133-L137 PolarHBondContact O-N 2.81Å; L137-K139 VanDerWaalsContact C-N 3.32Å
138	R	95.6	Very high	95.9	Very high	75 Å²	75	52.1 Å²	52.1	28%	0.283	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	5.5	175.9	-63.5	176.5	69.5	-148.6	7	113.7	L64 F134 I135 I136 R140	L64-R138 HydrophobicContact CB-CG 4.2Å; L64-R138 HydrophobicContact CD1-CG 4.29Å; F134-R138 WeakPolarHBondContact O-CB 3.45Å; F134-R138 WeakPolarHBondContact O-CD 3.5Å; F134-R138 WeakPolarHBondContact O-CG 3.36Å; F134-R138 PolarHBondContact O-N 3.25Å; F134-R138 VanDerWaalsContact O-N 3.12Å; I135-R138 PolarHBondContact O-N 3.08Å; I136-R138 PolarHBondContact O-N 3.28Å; R138-R140 VanDerWaalsContact C-N 3.29Å; R138-R140 HydrophobicContact CB-CG 4.17Å; R138-R140 PolarHBondContact O-N 3.1Å
139	K	93.7	Very high	95.8	Very high	102 Å²	102	53.1 Å²	53.1	44%	0.443	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	42.8	-174.6	-79.8	-163	153.6	-177.6	0	113.2	M56 K57 R59 I135 I136 L137	M56-K139 HydrophobicContact CE-CG 4.07Å; M56-K139 WeakPolarHBondContact O-CE 3.42Å; M56-K139 PolarHBondContact O-NZ 3.36Å; M56-K139 VanDerWaalsContact O-NZ 3.13Å; K57-K139 PolarHBondContact O-NZ 3.48Å; R59-K139 WeakPolarHBondContact O-CE 3.42Å; R59-K139 PolarHBondContact O-NZ 3.32Å; I135-K139 PolarHBondContact O-N 3.04Å; I136-K139 PolarHBondContact O-N 2.84Å; L137-K139 VanDerWaalsContact C-N 3.32Å
140	R	94.1	Very high	95.8	Very high	150 Å²	150	52.6 Å²	52.6	57%	0.566	26%	0.257	S	S	*	.			trans	-93.2	148.1	171.4	-62.9	-58.4	-175.7	174.2	-1.7	109.9	I135 R138 L142	I135-R140 HydrophobicContact CG2-CB 4.01Å; I135-R140 WeakPolarHBondContact CG2-O 3.38Å; I135-R140 PolarHBondContact O-N 3.43Å; R138-R140 VanDerWaalsContact C-N 3.29Å; R138-R140 HydrophobicContact CB-CG 4.17Å; R138-R140 PolarHBondContact O-N 3.1Å; R140-L142 PolarHBondContact O-N 3.06Å; R140-L142 VanDerWaalsContact O-N 3.16Å
141	P	92.6	Very high	95.8	Very high	114 Å²	114	52.1 Å²	52.1	74%	0.74	25%	0.251	S	S	*	.			trans	-64.2	118.3	179.6	26	-33.3	0	0	0	109.7	I143	P141-I143 PolarHBondContact O-N 3.34Å
142	L	95.4	Very high	95.8	Very high	29 Å²	29	52.9 Å²	52.9	15%	0.152	26%	0.256	C	S	.	.			trans	-82.7	106.9	173	-177.8	64.8	0	0	0	108.8	I49 T132 I135 I136 R140 H146 W147	I49-L142 HydrophobicContact CD1-CD2 4.22Å; I49-L142 HydrophobicContact CG1-CD2 4.28Å; I49-L142 HydrophobicContact CG2-CD2 3.58Å; T132-L142 HydrophobicContact CG2-CD1 3.89Å; T132-L142 HydrophobicContact CG2-CD2 3.91Å; I135-L142 HydrophobicContact CD1-CD1 4.2Å; I135-L142 HydrophobicContact CG2-CB 4Å; I135-L142 HydrophobicContact CG2-CD1 4.01Å; I136-L142 HydrophobicContact CD1-CD2 4.33Å; I136-L142 HydrophobicContact CG1-CD2 4.4Å; R140-L142 PolarHBondContact O-N 3.06Å; R140-L142 VanDerWaalsContact O-N 3.16Å; L142-H146 HydrophobicContact CD1-CB 4.31Å; L142-H146 VanDerWaalsContact CD1-CD2 3.47Å; L142-H146 WeakPolarHBondContact CD1-CD2 3.36Å; L142-W147 HydrophobicContact CD2-CB 4.42Å
143	I	94.3	Very high	95.7	Very high	82 Å²	82	53.3 Å²	53.3	42%	0.421	26%	0.259	S	S	.	.			trans	-80.8	152	-179.1	61.4	172	0	0	0	111.7	P141 V145 H146 F254	P141-I143 PolarHBondContact O-N 3.34Å; I143-V145 VanDerWaalsContact C-N 3.33Å; I143-V145 HydrophobicContact CD1-CB 4.3Å; I143-V145 PolarHBondContact O-N 3.37Å; I143-H146 HydrophobicContact CG1-CB 3.9Å; I143-H146 PolarHBondContact O-N 3.14Å; I143-H146 VanDerWaalsContact O-N 3.15Å; I143-F254 HydrophobicContact CD1-CE2 4.34Å
144	F	94.5	Very high	95.7	Very high	103 Å²	103	51.1 Å²	51.1	45%	0.452	24%	0.24	S	C	.	.	H	α-helix	trans	-51.9	-48.9	178.8	175.3	-103.2	0	0	0	112.9	H146 W147 Y148 L250	F144-H146 PolarHBondContact O-N 3.36Å; F144-H146 VanDerWaalsContact O-N 3.11Å; F144-W147 AromaticContact CD2-CE2 3.74Å; F144-W147 HydrophobicContact CD2-CH2 4.07Å; F144-W147 AromaticContact CD2-CZ2 3.33Å; F144-W147 HydrophobicContact CD2-CZ2 3.33Å; F144-W147 AromaticContact CE2-CH2 3.71Å; F144-W147 HydrophobicContact CE2-CH2 3.71Å; F144-W147 AromaticContact CE2-CZ2 3.47Å; F144-W147 HydrophobicContact CE2-CZ2 3.47Å; F144-W147 VanDerWaalsContact CE2-CZ2 3.47Å; F144-W147 PolarHBondContact O-N 3.35Å; F144-Y148 HydrophobicContact CE1-CD2 4.47Å; F144-Y148 HydrophobicContact CE1-CG 4.15Å; F144-Y148 HydrophobicContact CE2-CD2 4.49Å; F144-Y148 AromaticContact CZ-CD2 3.87Å; F144-Y148 HydrophobicContact CZ-CD2 3.87Å; F144-Y148 AromaticContact CZ-CG 3.95Å; F144-Y148 HydrophobicContact CZ-CG 3.95Å; F144-Y148 VanDerWaalsContact O-CB 3.23Å; F144-Y148 WeakPolarHBondContact O-CB 3.19Å; F144-Y148 PolarHBondContact O-N 3.25Å; F144-L250 HydrophobicContact CD1-CD2 4.08Å; F144-L250 HydrophobicContact CE1-CD1 4.17Å; F144-L250 HydrophobicContact CE1-CD2 3.91Å
145	V	93.9	Very high	95.6	Very high	21 Å²	21	51.4 Å²	51.4	13%	0.127	24%	0.243	C	C	.	.	H	α-helix	trans	-54.3	-36.5	-177.5	-177.5	0	0	0	0	111.8	I143 H149 L250 F251	I143-V145 VanDerWaalsContact C-N 3.33Å; I143-V145 HydrophobicContact CD1-CB 4.3Å; I143-V145 PolarHBondContact O-N 3.37Å; V145-H149 WeakPolarHBondContact O-CB 2.96Å; V145-H149 PolarHBondContact O-N 3.48Å; V145-L250 HydrophobicContact CG1-CB 4.33Å; V145-L250 HydrophobicContact CG2-CB 4.17Å; V145-L250 HydrophobicContact CG2-CD2 4.34Å; V145-F251 HydrophobicContact CG1-CD2 4.37Å; V145-F251 HydrophobicContact CG1-CE2 4.01Å; V145-F251 HydrophobicContact CG1-CZ 4.23Å
146	H	95.5	Very high	95.5	Very high	34 Å²	34	50.6 Å²	50.6	16%	0.157	24%	0.238	C	C	.	.	H	α-helix	trans	-69.1	-59.8	-176.1	-178.5	89.3	0	0	0	111.9	T132 L142 I143 F144 Y148 H149 H150	T132-H146 PolarHBondContact OG1-CD2 2.81Å; T132-H146 PolarHBondContact OG1-NE2 3.07Å; L142-H146 HydrophobicContact CD1-CB 4.31Å; L142-H146 VanDerWaalsContact CD1-CD2 3.47Å; L142-H146 WeakPolarHBondContact CD1-CD2 3.36Å; I143-H146 HydrophobicContact CG1-CB 3.9Å; I143-H146 PolarHBondContact O-N 3.14Å; I143-H146 VanDerWaalsContact O-N 3.15Å; F144-H146 PolarHBondContact O-N 3.36Å; F144-H146 VanDerWaalsContact O-N 3.11Å; H146-Y148 VanDerWaalsContact C-N 3.32Å; H146-Y148 PolarHBondContact O-N 3.21Å; H146-H149 PolarHBondContact O-N 3.15Å; H146-H150 AromaticContact CD2-CD2 3.67Å; H146-H150 AromaticContact CE1-CD2 3.33Å; H146-H150 PolarHBondContact CE1-CD2 2.89Å; H146-H150 AromaticContact CE1-NE2 3.12Å; H146-H150 PolarHBondContact CE1-NE2 2.95Å; H146-H150 AromaticContact CG-CD2 3.84Å; H146-H150 AromaticContact ND1-CD2 3.63Å; H146-H150 AromaticContact ND1-NE2 3.56Å; H146-H150 AromaticContact NE2-CD2 3.4Å; H146-H150 PolarHBondContact NE2-CD2 2.82Å; H146-H150 AromaticContact NE2-NE2 3.64Å; H146-H150 PolarHBondContact O-CD2 2.86Å; H146-H150 PolarHBondContact O-N 3.41Å
147	W	96.3	Very high	95.3	Very high	82 Å²	82	50.6 Å²	50.6	31%	0.311	24%	0.239	S	C	.	.	H	α-helix	trans	-70.8	-31.2	-175.6	68.5	-101	0	0	0	112.3	Y45 L46 I49 L142 F144 S151	Y45-W147 HydrophobicContact CE1-CB 4.39Å; L46-W147 HydrophobicContact CD2-CE3 3.71Å; L46-W147 HydrophobicContact CD2-CZ3 3.99Å; I49-W147 HydrophobicContact CD1-CB 3.66Å; I49-W147 HydrophobicContact CD1-CG 4.35Å; L142-W147 HydrophobicContact CD2-CB 4.42Å; F144-W147 AromaticContact CD2-CE2 3.74Å; F144-W147 HydrophobicContact CD2-CH2 4.07Å; F144-W147 AromaticContact CD2-CZ2 3.33Å; F144-W147 HydrophobicContact CD2-CZ2 3.33Å; F144-W147 AromaticContact CE2-CH2 3.71Å; F144-W147 HydrophobicContact CE2-CH2 3.71Å; F144-W147 AromaticContact CE2-CZ2 3.47Å; F144-W147 HydrophobicContact CE2-CZ2 3.47Å; F144-W147 VanDerWaalsContact CE2-CZ2 3.47Å; F144-W147 PolarHBondContact O-N 3.35Å; W147-S151 WeakPolarHBondContact O-CB 3.34Å; W147-S151 PolarHBondContact O-N 2.72Å; W147-S151 PolarHBondContact O-OG 2.94Å
148	Y	96.6	Very high	95.2	Very high	56 Å²	56	47.9 Å²	47.9	22%	0.22	23%	0.225	C	C	.	.	H	α-helix	trans	-60.2	-54.5	171.5	175.6	-100.2	0	0	0	109.8	F144 H146 H150 S151 T152 T246 Y247 L250	F144-Y148 HydrophobicContact CE1-CD2 4.47Å; F144-Y148 HydrophobicContact CE1-CG 4.15Å; F144-Y148 HydrophobicContact CE2-CD2 4.49Å; F144-Y148 AromaticContact CZ-CD2 3.87Å; F144-Y148 HydrophobicContact CZ-CD2 3.87Å; F144-Y148 AromaticContact CZ-CG 3.95Å; F144-Y148 HydrophobicContact CZ-CG 3.95Å; F144-Y148 VanDerWaalsContact O-CB 3.23Å; F144-Y148 WeakPolarHBondContact O-CB 3.19Å; F144-Y148 PolarHBondContact O-N 3.25Å; H146-Y148 VanDerWaalsContact C-N 3.32Å; H146-Y148 PolarHBondContact O-N 3.21Å; Y148-H150 PolarHBondContact O-N 2.99Å; Y148-S151 PolarHBondContact O-N 3.44Å; Y148-T152 HydrophobicContact CD2-CG2 4.28Å; Y148-T152 HydrophobicContact CE2-CG2 3.93Å; Y148-T152 PolarHBondContact O-N 3.14Å; Y148-T152 PolarHBondContact O-OG1 3.07Å; Y148-T246 PolarHBondContact OH-OG1 3.2Å; Y148-T246 VanDerWaalsContact OH-OG1 3.13Å; Y148-Y247 HydrophobicContact CD1-CD1 4.45Å; Y148-Y247 HydrophobicContact CD1-CE1 4.05Å; Y148-Y247 AromaticContact CE1-CD1 3.96Å; Y148-Y247 HydrophobicContact CE1-CD1 3.96Å; Y148-Y247 AromaticContact CE1-CE1 3.69Å; Y148-Y247 HydrophobicContact CE1-CE1 3.69Å; Y148-L250 HydrophobicContact CD1-CD1 3.45Å; Y148-L250 VanDerWaalsContact CD1-CD1 3.45Å; Y148-L250 HydrophobicContact CE1-CD1 3.56Å; Y148-L250 HydrophobicContact CG-CD1 4.41Å
149	H	96.1	Very high	95	Very high	21 Å²	21	45.3 Å²	45.3	10%	0.097	22%	0.216	C	C	.	.	H	α-helix	trans	-55.9	-51.3	178.7	170.7	-87.9	0	0	0	112.6	V145 H146 S151 T152 V153 Y247	V145-H149 WeakPolarHBondContact O-CB 2.96Å; V145-H149 PolarHBondContact O-N 3.48Å; H146-H149 PolarHBondContact O-N 3.15Å; H149-S151 VanDerWaalsContact C-N 3.28Å; H149-S151 PolarHBondContact O-N 3.49Å; H149-T152 PolarHBondContact O-N 3.41Å; H149-V153 VanDerWaalsContact O-CB 3.27Å; H149-V153 WeakPolarHBondContact O-CB 3.23Å; H149-V153 WeakPolarHBondContact O-CG1 3.37Å; H149-V153 PolarHBondContact O-N 2.88Å; H149-Y247 HydrophobicContact CB-CE1 4.45Å; H149-Y247 AromaticContact CD2-CD2 3.98Å; H149-Y247 AromaticContact CD2-CE2 3.39Å; H149-Y247 WeakPolarHBondContact CD2-CE2 3.48Å; H149-Y247 AromaticContact CD2-CZ 3.53Å; H149-Y247 AromaticContact NE2-CE2 3.93Å; H149-Y247 PolarHBondContact O-OH 3.24Å
150	H	97.1	Very high	94.9	Very high	10 Å²	10	41 Å²	41	5%	0.046	20%	0.201	C	C	.	.	H	α-helix	trans	-63.8	-34.1	-177.9	-80.3	-73.9	0	0	0	112.6	L129 H146 Y148 L154	L129-H150 HydrophobicContact CD2-CB 3.92Å; H146-H150 AromaticContact CD2-CD2 3.67Å; H146-H150 AromaticContact CE1-CD2 3.33Å; H146-H150 PolarHBondContact CE1-CD2 2.89Å; H146-H150 AromaticContact CE1-NE2 3.12Å; H146-H150 PolarHBondContact CE1-NE2 2.95Å; H146-H150 AromaticContact CG-CD2 3.84Å; H146-H150 AromaticContact ND1-CD2 3.63Å; H146-H150 AromaticContact ND1-NE2 3.56Å; H146-H150 AromaticContact NE2-CD2 3.4Å; H146-H150 PolarHBondContact NE2-CD2 2.82Å; H146-H150 AromaticContact NE2-NE2 3.64Å; H146-H150 PolarHBondContact O-CD2 2.86Å; H146-H150 PolarHBondContact O-N 3.41Å; Y148-H150 PolarHBondContact O-N 2.99Å; H150-L154 WeakPolarHBondContact O-CB 3.26Å; H150-L154 PolarHBondContact O-N 3.35Å
151	S	97.2	Very high	94.8	Very high	7 Å²	7	34.8 Å²	34.8	5%	0.049	18%	0.178	C	C	.	.	H	α-helix	trans	-67.8	-53	174.5	-55.9	0	0	0	0	111.4	Y45 W147 Y148 H149 L154 L155	Y45-S151 WeakPolarHBondContact CE1-OG 3.35Å; W147-S151 WeakPolarHBondContact O-CB 3.34Å; W147-S151 PolarHBondContact O-N 2.72Å; W147-S151 PolarHBondContact O-OG 2.94Å; Y148-S151 PolarHBondContact O-N 3.44Å; H149-S151 VanDerWaalsContact C-N 3.28Å; H149-S151 PolarHBondContact O-N 3.49Å; S151-L154 PolarHBondContact O-N 3.09Å; S151-L155 PolarHBondContact O-N 3.28Å
152	T	96.4	Very high	94.7	Very high	31 Å²	31	33.6 Å²	33.6	19%	0.19	16%	0.161	C	C	.	.	H	α-helix	trans	-75.7	-31.5	-171.8	50	0	0	0	0	112.8	Y148 H149 L155 F156 Y247	Y148-T152 HydrophobicContact CD2-CG2 4.28Å; Y148-T152 HydrophobicContact CE2-CG2 3.93Å; Y148-T152 PolarHBondContact O-N 3.14Å; Y148-T152 PolarHBondContact O-OG1 3.07Å; H149-T152 PolarHBondContact O-N 3.41Å; T152-L155 PolarHBondContact O-N 3.12Å; T152-F156 WeakPolarHBondContact O-CB 3.42Å; T152-F156 PolarHBondContact O-N 2.62Å; T152-Y247 WeakPolarHBondContact OG1-CE1 3.42Å; T152-Y247 PolarHBondContact OG1-OH 3.33Å
153	V	95.4	Very high	94.4	Very high	11 Å²	11	35 Å²	35	7%	0.067	17%	0.169	C	C	.	.	H	α-helix	trans	-69.2	-34.9	176.3	79.1	0	0	0	0	111.7	K125 H149 T157 Y247	K125-V153 HydrophobicContact CD-CG1 4.09Å; K125-V153 HydrophobicContact CD-CG2 4.33Å; H149-V153 VanDerWaalsContact O-CB 3.27Å; H149-V153 WeakPolarHBondContact O-CB 3.23Å; H149-V153 WeakPolarHBondContact O-CG1 3.37Å; H149-V153 PolarHBondContact O-N 2.88Å; V153-T157 WeakPolarHBondContact O-CB 3.41Å; V153-T157 PolarHBondContact O-N 3.23Å; V153-T157 PolarHBondContact O-OG1 2.92Å; V153-Y247 PolarHBondContact N-OH 2.87Å; V153-Y247 VanDerWaalsContact N-OH 3.15Å
154	L	96.1	Very high	94.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.1	-47.7	175.6	174.5	59.6	0	0	0	110.8	I41 V42 K125 I126 L129 H150 S151 S158	I41-L154 HydrophobicContact CB-CD2 4.46Å; I41-L154 HydrophobicContact CG2-CD2 3.78Å; V42-L154 HydrophobicContact CG2-CB 4.48Å; V42-L154 HydrophobicContact CG2-CD2 3.94Å; V42-L154 HydrophobicContact CG2-CG 4.43Å; K125-L154 HydrophobicContact CB-CB 4.39Å; K125-L154 HydrophobicContact CB-CD1 3.85Å; I126-L154 HydrophobicContact CG1-CD1 3.94Å; L129-L154 HydrophobicContact CD1-CD2 4.03Å; H150-L154 WeakPolarHBondContact O-CB 3.26Å; H150-L154 PolarHBondContact O-N 3.35Å; S151-L154 PolarHBondContact O-N 3.09Å; L154-S158 WeakPolarHBondContact O-CB 3.43Å; L154-S158 PolarHBondContact O-N 3.47Å; L154-S158 VanDerWaalsContact O-N 3.1Å; L154-S158 PolarHBondContact O-OG 3.05Å
155	L	95.4	Very high	93.8	Very high	37 Å²	37	30.2 Å²	30.2	19%	0.194	14%	0.143	C	C	.	.	H	α-helix	trans	-61.1	-54.7	175.1	-61.4	177.5	0	0	0	110.5	W35 S38 F39 V42 S151 T152 T157 S158 F159	W35-L155 HydrophobicContact CZ3-CB 4.46Å; W35-L155 WeakPolarHBondContact CZ3-O 3.46Å; S38-L155 WeakPolarHBondContact OG-CD2 3.23Å; F39-L155 HydrophobicContact CD1-CD1 4.34Å; F39-L155 HydrophobicContact CD1-CD2 3.85Å; F39-L155 HydrophobicContact CD2-CD2 4.37Å; F39-L155 HydrophobicContact CE1-CD1 4.23Å; F39-L155 HydrophobicContact CE1-CD2 4.11Å; F39-L155 HydrophobicContact CG-CD2 4Å; F39-L155 HydrophobicContact CZ-CD2 4.47Å; V42-L155 HydrophobicContact CB-CD2 4.44Å; V42-L155 HydrophobicContact CG2-CD1 4.41Å; V42-L155 HydrophobicContact CG2-CD2 3.82Å; V42-L155 HydrophobicContact CG2-CG 3.89Å; S151-L155 PolarHBondContact O-N 3.28Å; T152-L155 PolarHBondContact O-N 3.12Å; L155-T157 VanDerWaalsContact C-N 3.31Å; L155-T157 PolarHBondContact O-N 2.87Å; L155-S158 PolarHBondContact O-N 3.25Å; L155-S158 VanDerWaalsContact O-N 3.12Å; L155-F159 WeakPolarHBondContact O-CB 3.22Å; L155-F159 PolarHBondContact O-N 3.01Å
156	F	94.5	Very high	93.3	Very high	22 Å²	22	29.6 Å²	29.6	10%	0.096	14%	0.14	C	C	.	.	H	α-helix	trans	-62.2	-38.5	-174.9	-177.7	-106.2	0	0	0	113.3	T152 F159 G160 M165 F171 W239 L243 Y244	T152-F156 WeakPolarHBondContact O-CB 3.42Å; T152-F156 PolarHBondContact O-N 2.62Å; F156-F159 WeakPolarHBondContact O-CB 3.43Å; F156-F159 PolarHBondContact O-N 3.46Å; F156-G160 PolarHBondContact O-N 2.8Å; F156-M165 HydrophobicContact CZ-SD 4.44Å; F156-F171 AromaticContact CE1-CD2 3.99Å; F156-F171 HydrophobicContact CE1-CD2 3.99Å; F156-F171 HydrophobicContact CE1-CE2 4.15Å; F156-F171 HydrophobicContact CZ-CD2 4.34Å; F156-F171 HydrophobicContact CZ-CE2 4.06Å; F156-W239 HydrophobicContact CE2-CB 4.4Å; F156-L243 HydrophobicContact CB-CD2 3.57Å; F156-L243 HydrophobicContact CD1-CD2 3.41Å; F156-L243 VanDerWaalsContact CD1-CD2 3.41Å; F156-L243 HydrophobicContact CD2-CD2 4.08Å; F156-L243 HydrophobicContact CE1-CD2 4.07Å; F156-L243 HydrophobicContact CG-CD2 3.41Å; F156-L243 VanDerWaalsContact CG-CD2 3.41Å; F156-Y244 HydrophobicContact CE1-CE2 4.07Å
157	T	94.3	Very high	93	Very high	15 Å²	15	28 Å²	28	9%	0.092	13%	0.132	C	C	.	.	H	α-helix	trans	-65.9	-42	176.9	-58.6	0	0	0	0	110.9	F121 V122 K125 V153 L155 G160 F161	F121-T157 HydrophobicContact CD1-CG2 3.54Å; F121-T157 HydrophobicContact CE1-CG2 3.47Å; F121-T157 VanDerWaalsContact CE1-CG2 3.47Å; V122-T157 HydrophobicContact CB-CG2 4.36Å; V122-T157 HydrophobicContact CG2-CG2 3.82Å; K125-T157 HydrophobicContact CG-CG2 4.15Å; V153-T157 WeakPolarHBondContact O-CB 3.41Å; V153-T157 PolarHBondContact O-N 3.23Å; V153-T157 PolarHBondContact O-OG1 2.92Å; L155-T157 VanDerWaalsContact C-N 3.31Å; L155-T157 PolarHBondContact O-N 2.87Å; T157-G160 PolarHBondContact O-N 3.3Å; T157-F161 VanDerWaalsContact O-CB 3.3Å; T157-F161 WeakPolarHBondContact O-CB 3.46Å; T157-F161 PolarHBondContact O-N 3.49Å
158	S	94.3	Very high	92.7	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-65.7	-39.1	176.8	-55.7	0	0	0	0	111.7	W35 L154 L155 K162	W35-S158 VanDerWaalsContact CE3-C 3.48Å; L154-S158 WeakPolarHBondContact O-CB 3.43Å; L154-S158 PolarHBondContact O-N 3.47Å; L154-S158 VanDerWaalsContact O-N 3.1Å; L154-S158 PolarHBondContact O-OG 3.05Å; L155-S158 PolarHBondContact O-N 3.25Å; L155-S158 VanDerWaalsContact O-N 3.12Å; S158-K162 PolarHBondContact O-N 2.89Å; S158-K162 VanDerWaalsContact O-N 3.1Å
159	F	92.1	Very high	92.5	Very high	21 Å²	21	22.8 Å²	22.8	9%	0.092	12%	0.121	C	C	.	.	H	α-helix	trans	-61.9	-51.5	173.7	176.8	-104.9	0	0	0	111.8	W35 L155 F156 F161 K162 N163 H236	W35-F159 HydrophobicContact CD2-CB 4.49Å; W35-F159 HydrophobicContact CE3-CB 3.96Å; W35-F159 HydrophobicContact CH2-CB 3.51Å; W35-F159 AromaticContact CH2-CD2 3.81Å; W35-F159 HydrophobicContact CH2-CD2 3.81Å; W35-F159 HydrophobicContact CH2-CG 4.09Å; W35-F159 HydrophobicContact CZ2-CB 4.08Å; W35-F159 AromaticContact CZ2-CD2 3.58Å; W35-F159 HydrophobicContact CZ2-CD2 3.58Å; W35-F159 HydrophobicContact CZ2-CG 4.3Å; W35-F159 HydrophobicContact CZ3-CB 3.49Å; W35-F159 VanDerWaalsContact CZ3-CB 3.49Å; L155-F159 WeakPolarHBondContact O-CB 3.22Å; L155-F159 PolarHBondContact O-N 3.01Å; F156-F159 WeakPolarHBondContact O-CB 3.43Å; F156-F159 PolarHBondContact O-N 3.46Å; F159-F161 VanDerWaalsContact C-N 3.3Å; F159-F161 PolarHBondContact O-N 3.38Å; F159-K162 PolarHBondContact O-N 3.41Å; F159-N163 WeakPolarHBondContact CD2-ND2 3.45Å; F159-N163 WeakPolarHBondContact CE2-ND2 3.16Å; F159-N163 WeakPolarHBondContact CZ-ND2 3.5Å; F159-N163 WeakPolarHBondContact O-CB 3.32Å; F159-N163 PolarHBondContact O-N 3.39Å; F159-N163 PolarHBondContact O-ND2 3.36Å; F159-N163 VanDerWaalsContact O-ND2 3.12Å; F159-H236 AromaticContact CE1-CD2 3.55Å; F159-H236 AromaticContact CZ-CD2 3.49Å; F159-H236 VanDerWaalsContact CZ-CD2 3.49Å; F159-H236 WeakPolarHBondContact CZ-CD2 2.88Å
160	G	90.9	Very high	92.4	Very high	13 Å²	13	22.3 Å²	22.3	13%	0.134	12%	0.118	C	C	.	.	H	α-helix	trans	-64.9	-34.7	-178.4	0	0	0	0	0	112.6	F156 T157 R164 M165	F156-G160 PolarHBondContact O-N 2.8Å; T157-G160 PolarHBondContact O-N 3.3Å; G160-R164 PolarHBondContact O-N 2.79Å; G160-R164 VanDerWaalsContact O-N 3.14Å; G160-M165 PolarHBondContact O-N 2.86Å
161	F	91.3	Very high	92.3	Very high	18 Å²	18	22.5 Å²	22.5	8%	0.079	12%	0.119	C	C	.	.	H	α-helix	trans	-65.7	-53.1	175	-174.8	-89.2	0	0	0	111.7	R28 L31 S118 V122 T157 F159 N163 R164	R28-F161 HydrophobicContact CB-CE1 4.46Å; R28-F161 HydrophobicContact CB-CZ 4.29Å; R28-F161 HydrophobicContact CG-CE1 4.21Å; R28-F161 HydrophobicContact CG-CE2 4.48Å; R28-F161 HydrophobicContact CG-CZ 3.64Å; L31-F161 HydrophobicContact CB-CD1 4.08Å; L31-F161 HydrophobicContact CB-CE1 3.39Å; L31-F161 HydrophobicContact CB-CZ 3.88Å; L31-F161 HydrophobicContact CD1-CE1 4.21Å; L31-F161 HydrophobicContact CD1-CE2 4.45Å; L31-F161 HydrophobicContact CD1-CZ 3.83Å; L31-F161 HydrophobicContact CG-CE1 4.47Å; S118-F161 WeakPolarHBondContact OG-CE2 3.14Å; V122-F161 HydrophobicContact CG2-CB 3.59Å; V122-F161 HydrophobicContact CG2-CD1 4.41Å; V122-F161 HydrophobicContact CG2-CD2 3.45Å; V122-F161 VanDerWaalsContact CG2-CD2 3.45Å; V122-F161 HydrophobicContact CG2-CE2 4.15Å; V122-F161 HydrophobicContact CG2-CG 3.57Å; T157-F161 VanDerWaalsContact O-CB 3.3Å; T157-F161 WeakPolarHBondContact O-CB 3.46Å; T157-F161 PolarHBondContact O-N 3.49Å; F159-F161 VanDerWaalsContact C-N 3.3Å; F159-F161 PolarHBondContact O-N 3.38Å; F161-N163 VanDerWaalsContact C-N 3.31Å; F161-N163 PolarHBondContact O-N 3.4Å; F161-R164 VanDerWaalsContact O-CD 3.31Å; F161-R164 WeakPolarHBondContact O-CD 3.26Å; F161-R164 PolarHBondContact O-N 2.87Å; F161-R164 VanDerWaalsContact O-N 3.1Å
162	K	90.8	Very high	92.2	Very high	89 Å²	89	22.4 Å²	22.4	39%	0.387	12%	0.118	S	C	.	.	H	α-helix	trans	-56.6	-46.3	178.5	174.2	-179.6	174.6	177.3	0	111.8	W35 S158 F159 R164	W35-K162 HydrophobicContact CB-CB 4.08Å; W35-K162 HydrophobicContact CB-CD 3.7Å; W35-K162 HydrophobicContact CB-CG 4.45Å; W35-K162 HydrophobicContact CG-CB 4.36Å; W35-K162 HydrophobicContact CG-CD 3.57Å; S158-K162 PolarHBondContact O-N 2.89Å; S158-K162 VanDerWaalsContact O-N 3.1Å; F159-K162 PolarHBondContact O-N 3.41Å; K162-R164 PolarHBondContact O-N 2.82Å
163	N	88.6	Confident	92.3	Very high	59 Å²	59	21 Å²	21	32%	0.316	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	7.2	-176.6	-63.7	-43.8	0	0	0	113.7	F159 F161 M165 H236	F159-N163 WeakPolarHBondContact CD2-ND2 3.45Å; F159-N163 WeakPolarHBondContact CE2-ND2 3.16Å; F159-N163 WeakPolarHBondContact CZ-ND2 3.5Å; F159-N163 WeakPolarHBondContact O-CB 3.32Å; F159-N163 PolarHBondContact O-N 3.39Å; F159-N163 PolarHBondContact O-ND2 3.36Å; F159-N163 VanDerWaalsContact O-ND2 3.12Å; F161-N163 VanDerWaalsContact C-N 3.31Å; F161-N163 PolarHBondContact O-N 3.4Å; N163-M165 VanDerWaalsContact C-N 3.27Å; N163-M165 PolarHBondContact O-N 3.29Å; N163-H236 VanDerWaalsContact CB-NE2 3.34Å; N163-H236 WeakPolarHBondContact CB-NE2 3.17Å
164	R	88.1	Confident	92.3	Very high	77 Å²	77	21.3 Å²	21.3	29%	0.291	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	48.8	177.3	-54.6	-60.5	173.3	91	4.9	112.2	D32 I109 D110 G160 F161 K162 P166	D32-R164 IonicContact OD1-NH2 3.05Å; D32-R164 IonicContact OD2-CZ 3.71Å; D32-R164 IonicContact OD2-NH2 3.71Å; D32-R164 PolarHBondContact OD2-NH2 2.82Å; I109-R164 VanDerWaalsContact CD1-O 3.24Å; I109-R164 WeakPolarHBondContact CD1-O 3.18Å; I109-R164 HydrophobicContact CG2-CB 4.29Å; D110-R164 IonicContact OD1-NH1 3.77Å; G160-R164 PolarHBondContact O-N 2.79Å; G160-R164 VanDerWaalsContact O-N 3.14Å; F161-R164 VanDerWaalsContact O-CD 3.31Å; F161-R164 WeakPolarHBondContact O-CD 3.26Å; F161-R164 PolarHBondContact O-N 2.87Å; F161-R164 VanDerWaalsContact O-N 3.1Å; K162-R164 PolarHBondContact O-N 2.82Å; R164-P166 VanDerWaalsContact O-CD 3.26Å; R164-P166 WeakPolarHBondContact O-CD 3.34Å
165	M	88	Confident	92.4	Very high	7 Å²	7	21.6 Å²	21.6	3%	0.034	11%	0.112	C	C	.	.			trans	-62.4	120.1	-173.4	-170.4	171.9	-171.4	0	0	111	F156 G160 N163 S167 G168 F171 H236	F156-M165 HydrophobicContact CZ-SD 4.44Å; G160-M165 PolarHBondContact O-N 2.86Å; N163-M165 VanDerWaalsContact C-N 3.27Å; N163-M165 PolarHBondContact O-N 3.29Å; M165-S167 VanDerWaalsContact C-N 3.32Å; M165-S167 WeakPolarHBondContact CE-OG 3.47Å; M165-S167 PolarHBondContact O-N 3.27Å; M165-G168 WeakPolarHBondContact O-CA 3.39Å; M165-G168 PolarHBondContact O-N 3.01Å; M165-F171 HydrophobicContact CE-CE2 4.18Å; M165-F171 HydrophobicContact SD-CE2 4.13Å; M165-H236 HydrophobicContact CE-CB 3.8Å; M165-H236 HydrophobicContact SD-CB 4.32Å
166	P	84.6	Confident	92.5	Very high	9 Å²	9	19.9 Å²	19.9	6%	0.058	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-34.5	-176.1	-28.5	37.3	0	0	0	114.9	T102 C104 Y108 I109 R164 G168	T102-P166 VanDerWaalsContact O-O 3.06Å; C104-P166 VanDerWaalsContact O-CB 3.27Å; C104-P166 WeakPolarHBondContact O-CB 3.49Å; C104-P166 VanDerWaalsContact O-CG 3.28Å; C104-P166 WeakPolarHBondContact O-CG 3.35Å; Y108-P166 PolarHBondContact OH-O 3.47Å; I109-P166 HydrophobicContact CD1-CB 4.4Å; I109-P166 HydrophobicContact CD1-CG 4.35Å; R164-P166 VanDerWaalsContact O-CD 3.26Å; R164-P166 WeakPolarHBondContact O-CD 3.34Å; P166-G168 PolarHBondContact O-N 3.37Å
167	S	89.1	Confident	92.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-8.5	174.3	64.5	0	0	0	0	113.6	V103 M165 G169 W170 F171	V103-S167 PolarHBondContact O-N 3.46Å; M165-S167 VanDerWaalsContact C-N 3.32Å; M165-S167 WeakPolarHBondContact CE-OG 3.47Å; M165-S167 PolarHBondContact O-N 3.27Å; S167-G169 VanDerWaalsContact C-N 3.25Å; S167-G169 PolarHBondContact O-N 2.76Å; S167-W170 PolarHBondContact O-N 3.27Å; S167-W170 VanDerWaalsContact O-N 3.12Å; S167-F171 PolarHBondContact O-N 3.36Å; S167-F171 WeakPolarHBondContact OG-CE2 3.45Å
168	G	89.9	Confident	92.9	Very high	23 Å²	23	19.3 Å²	19.3	24%	0.237	10%	0.104	C	C	.	.	H	α-helix	trans	-60.6	-32	-177.7	0	0	0	0	0	113.3	M165 P166 W170 F171 M172	M165-G168 WeakPolarHBondContact O-CA 3.39Å; M165-G168 PolarHBondContact O-N 3.01Å; P166-G168 PolarHBondContact O-N 3.37Å; G168-W170 VanDerWaalsContact C-N 3.31Å; G168-W170 PolarHBondContact O-N 3.17Å; G168-F171 PolarHBondContact O-N 3.46Å; G168-M172 WeakPolarHBondContact O-CB 3.36Å; G168-M172 PolarHBondContact O-N 3.48Å
169	G	92.5	Very high	93	Very high	6 Å²	6	19.5 Å²	19.5	6%	0.062	10%	0.104	C	C	.	.	H	α-helix	trans	-58.7	-41.8	174.5	0	0	0	0	0	112.2	Y108 S167 M172 T173	Y108-G169 VanDerWaalsContact OH-CA 3.31Å; Y108-G169 WeakPolarHBondContact OH-CA 3.47Å; Y108-G169 PolarHBondContact OH-N 3.45Å; S167-G169 VanDerWaalsContact C-N 3.25Å; S167-G169 PolarHBondContact O-N 2.76Å; G169-M172 PolarHBondContact O-N 3.38Å; G169-T173 VanDerWaalsContact O-CB 3.28Å; G169-T173 WeakPolarHBondContact O-CB 3.37Å; G169-T173 PolarHBondContact O-N 3.38Å; G169-T173 PolarHBondContact O-OG1 3.22Å
170	W	94.1	Very high	93.3	Very high	10 Å²	10	19.2 Å²	19.2	4%	0.038	11%	0.105	C	C	.	.	H	α-helix	trans	-69.1	-40.3	176.4	-77.9	113.1	0	0	0	112.6	W87 M90 L94 T102 S167 G168 M172 T173 M174 F217	W87-W170 HydrophobicContact CE3-CZ3 4.48Å; W87-W170 AromaticContact CH2-CZ3 3.96Å; W87-W170 HydrophobicContact CH2-CZ3 3.96Å; W87-W170 HydrophobicContact CZ3-CH2 4.37Å; W87-W170 AromaticContact CZ3-CZ3 3.7Å; W87-W170 HydrophobicContact CZ3-CZ3 3.7Å; M90-W170 HydrophobicContact CB-CH2 4.47Å; M90-W170 HydrophobicContact CE-CD2 4.17Å; M90-W170 HydrophobicContact CE-CG 4.25Å; M90-W170 HydrophobicContact CE-CZ2 4.38Å; L94-W170 HydrophobicContact CB-CH2 4.43Å; L94-W170 HydrophobicContact CB-CZ2 4.13Å; L94-W170 HydrophobicContact CD1-CZ2 4.3Å; L94-W170 HydrophobicContact CD2-CH2 3.8Å; L94-W170 HydrophobicContact CD2-CZ2 3.92Å; L94-W170 HydrophobicContact CG-CZ2 4.34Å; T102-W170 PolarHBondContact OG1-NE1 3.3Å; S167-W170 PolarHBondContact O-N 3.27Å; S167-W170 VanDerWaalsContact O-N 3.12Å; G168-W170 VanDerWaalsContact C-N 3.31Å; G168-W170 PolarHBondContact O-N 3.17Å; W170-M172 VanDerWaalsContact C-N 3.33Å; W170-M172 PolarHBondContact O-N 3.25Å; W170-T173 HydrophobicContact CE3-CG2 4.45Å; W170-T173 HydrophobicContact CZ3-CG2 4.44Å; W170-T173 PolarHBondContact O-N 2.94Å; W170-M174 HydrophobicContact CB-CE 4.39Å; W170-M174 WeakPolarHBondContact O-CE 3.29Å; W170-M174 WeakPolarHBondContact O-CG 3.5Å; W170-M174 PolarHBondContact O-N 2.98Å; W170-F217 HydrophobicContact CB-CD2 3.59Å; W170-F217 HydrophobicContact CB-CE2 3.63Å; W170-F217 HydrophobicContact CB-CG 4.4Å; W170-F217 HydrophobicContact CB-CZ 4.47Å; W170-F217 AromaticContact CD2-CE2 3.86Å; W170-F217 HydrophobicContact CD2-CE2 3.86Å; W170-F217 AromaticContact CD2-CZ 3.91Å; W170-F217 HydrophobicContact CD2-CZ 3.91Å; W170-F217 HydrophobicContact CE3-CE2 4.07Å; W170-F217 HydrophobicContact CE3-CZ 4.18Å; W170-F217 AromaticContact CG-CD2 3.94Å; W170-F217 HydrophobicContact CG-CD2 3.94Å; W170-F217 AromaticContact CG-CE2 3.69Å; W170-F217 HydrophobicContact CG-CE2 3.69Å; W170-F217 HydrophobicContact CG-CZ 4.05Å
171	F	94.6	Very high	93.6	Very high	14 Å²	14	21.7 Å²	21.7	6%	0.061	11%	0.114	C	C	.	.	H	α-helix	trans	-60.2	-44.7	175.8	-59.9	-22.2	0	0	0	111.6	F156 M165 S167 G168 M174 N175 G214 F217 S240 Y244	F156-F171 AromaticContact CE1-CD2 3.99Å; F156-F171 HydrophobicContact CE1-CD2 3.99Å; F156-F171 HydrophobicContact CE1-CE2 4.15Å; F156-F171 HydrophobicContact CZ-CD2 4.34Å; F156-F171 HydrophobicContact CZ-CE2 4.06Å; M165-F171 HydrophobicContact CE-CE2 4.18Å; M165-F171 HydrophobicContact SD-CE2 4.13Å; S167-F171 PolarHBondContact O-N 3.36Å; S167-F171 WeakPolarHBondContact OG-CE2 3.45Å; G168-F171 PolarHBondContact O-N 3.46Å; F171-M174 HydrophobicContact CD1-CE 4.13Å; F171-N175 VanDerWaalsContact O-CB 3.22Å; F171-N175 WeakPolarHBondContact O-CB 3.3Å; F171-N175 PolarHBondContact O-N 2.92Å; F171-G214 WeakPolarHBondContact CE1-O 3.33Å; F171-F217 HydrophobicContact CE1-CB 4.24Å; F171-S240 WeakPolarHBondContact CZ-OG 3.08Å; F171-Y244 WeakPolarHBondContact CB-OH 3.35Å; F171-Y244 HydrophobicContact CD1-CE2 4.01Å; F171-Y244 AromaticContact CD1-CZ 3.72Å; F171-Y244 WeakPolarHBondContact CD1-OH 3.13Å; F171-Y244 HydrophobicContact CD2-CE2 4.22Å; F171-Y244 AromaticContact CE1-CE2 3.93Å; F171-Y244 HydrophobicContact CE1-CE2 3.93Å; F171-Y244 HydrophobicContact CE2-CE2 4.14Å; F171-Y244 HydrophobicContact CG-CE2 4.16Å; F171-Y244 VanDerWaalsContact CG-OH 3.23Å; F171-Y244 WeakPolarHBondContact CG-OH 3.34Å; F171-Y244 AromaticContact CZ-CE2 4Å; F171-Y244 HydrophobicContact CZ-CE2 4Å
172	M	96.3	Very high	93.9	Very high	6 Å²	6	21.4 Å²	21.4	3%	0.03	11%	0.113	C	C	.	.	H	α-helix	trans	-62.6	-49.2	174	174.8	175.6	72.7	0	0	111.9	I86 I114 F121 G168 G169 W170 M174 N175 L176	I86-M172 HydrophobicContact CD1-CE 3.99Å; I86-M172 HydrophobicContact CG1-CE 4.1Å; I86-M172 HydrophobicContact CG2-CE 3.73Å; I114-M172 HydrophobicContact CD1-CE 4.38Å; F121-M172 HydrophobicContact CB-CG 4.13Å; F121-M172 HydrophobicContact CB-SD 3.88Å; F121-M172 HydrophobicContact CD1-CB 4.22Å; F121-M172 HydrophobicContact CD1-CG 4.09Å; F121-M172 HydrophobicContact CD1-SD 4.46Å; F121-M172 HydrophobicContact CD2-CG 3.85Å; F121-M172 HydrophobicContact CE1-CB 4.23Å; F121-M172 HydrophobicContact CE1-CG 4.47Å; F121-M172 HydrophobicContact CE2-CG 4.24Å; F121-M172 HydrophobicContact CG-CB 4.37Å; F121-M172 HydrophobicContact CG-CG 3.75Å; F121-M172 HydrophobicContact CG-SD 4.12Å; F121-M172 HydrophobicContact CZ-CB 4.37Å; G168-M172 WeakPolarHBondContact O-CB 3.36Å; G168-M172 PolarHBondContact O-N 3.48Å; G169-M172 PolarHBondContact O-N 3.38Å; W170-M172 VanDerWaalsContact C-N 3.33Å; W170-M172 PolarHBondContact O-N 3.25Å; M172-M174 PolarHBondContact O-N 2.97Å; M172-N175 PolarHBondContact O-N 3.25Å; M172-L176 HydrophobicContact CG-CD1 3.76Å; M172-L176 HydrophobicContact CG-CG 4.4Å; M172-L176 WeakPolarHBondContact O-CB 3.36Å; M172-L176 WeakPolarHBondContact O-CG 3.24Å; M172-L176 PolarHBondContact O-N 2.88Å
173	T	96.5	Very high	94.3	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-57.1	-49.8	-178.4	-60.2	0	0	0	0	112.2	I86 W87 M90 G169 W170 G177	I86-T173 HydrophobicContact CG2-CG2 4.44Å; I86-T173 WeakPolarHBondContact CG2-OG1 3.45Å; W87-T173 HydrophobicContact CB-CG2 4.46Å; W87-T173 HydrophobicContact CD2-CG2 3.32Å; W87-T173 HydrophobicContact CE3-CG2 3.78Å; W87-T173 HydrophobicContact CG-CG2 3.63Å; W87-T173 HydrophobicContact CH2-CG2 4.17Å; W87-T173 HydrophobicContact CZ2-CG2 3.75Å; W87-T173 HydrophobicContact CZ3-CG2 4.18Å; W87-T173 PolarHBondContact NE1-O 2.91Å; M90-T173 WeakPolarHBondContact CG-OG1 3.33Å; G169-T173 VanDerWaalsContact O-CB 3.28Å; G169-T173 WeakPolarHBondContact O-CB 3.37Å; G169-T173 PolarHBondContact O-N 3.38Å; G169-T173 PolarHBondContact O-OG1 3.22Å; W170-T173 HydrophobicContact CE3-CG2 4.45Å; W170-T173 HydrophobicContact CZ3-CG2 4.44Å; W170-T173 PolarHBondContact O-N 2.94Å; T173-G177 PolarHBondContact O-N 3.25Å; T173-G177 VanDerWaalsContact O-N 3.11Å
174	M	96.9	Very high	94.7	Very high	18 Å²	18	16.9 Å²	16.9	9%	0.089	10%	0.095	C	C	.	.	H	α-helix	trans	-67.2	-42.9	178.6	-65.6	-177.5	-70.8	0	0	111.3	W170 F171 M172 G177 V178 Q210 M213 F217	W170-M174 HydrophobicContact CB-CE 4.39Å; W170-M174 WeakPolarHBondContact O-CE 3.29Å; W170-M174 WeakPolarHBondContact O-CG 3.5Å; W170-M174 PolarHBondContact O-N 2.98Å; F171-M174 HydrophobicContact CD1-CE 4.13Å; M172-M174 PolarHBondContact O-N 2.97Å; M174-G177 PolarHBondContact O-N 2.96Å; M174-V178 WeakPolarHBondContact O-CG2 3.47Å; M174-V178 PolarHBondContact O-N 3.39Å; M174-Q210 HydrophobicContact CB-CG 3.96Å; M174-M213 HydrophobicContact CE-CB 4.3Å; M174-M213 HydrophobicContact SD-CB 3.51Å; M174-M213 VanDerWaalsContact SD-CB 3.51Å; M174-M213 HydrophobicContact SD-CG 4.4Å; M174-F217 HydrophobicContact CE-CD2 3.72Å; M174-F217 HydrophobicContact CE-CE2 3.73Å; M174-F217 HydrophobicContact SD-CD2 4.48Å; M174-F217 HydrophobicContact SD-CE2 3.94Å
175	N	97.6	Very high	95.2	Very high	6 Å²	6	14 Å²	14	3%	0.032	8%	0.084	C	C	.	.	H	α-helix	trans	-62.5	-48.3	-179.4	-174.8	-94.9	0	0	0	111.9	F121 K125 F171 M172 G177 V178 H179	F121-N175 HydrophobicContact CE2-CB 3.88Å; F121-N175 VanDerWaalsContact CE2-OD1 3.26Å; F121-N175 WeakPolarHBondContact CE2-OD1 3.45Å; F121-N175 HydrophobicContact CZ-CB 3.88Å; K125-N175 PolarHBondContact NZ-OD1 3.37Å; F171-N175 VanDerWaalsContact O-CB 3.22Å; F171-N175 WeakPolarHBondContact O-CB 3.3Å; F171-N175 PolarHBondContact O-N 2.92Å; M172-N175 PolarHBondContact O-N 3.25Å; N175-G177 VanDerWaalsContact C-N 3.27Å; N175-G177 PolarHBondContact O-N 3.13Å; N175-V178 PolarHBondContact O-N 3.24Å; N175-H179 PolarHBondContact ND2-NE2 3.23Å; N175-H179 VanDerWaalsContact O-CB 3.23Å; N175-H179 WeakPolarHBondContact O-CB 3.24Å; N175-H179 PolarHBondContact O-CD2 3.47Å; N175-H179 PolarHBondContact O-N 2.86Å
176	L	97.9	Very high	95.6	Very high	2 Å²	2	18 Å²	18	1%	0.01	10%	0.1	C	C	.	.	H	α-helix	trans	-57.7	-43.7	175.5	-73.5	169.9	0	0	0	110.7	F78 T83 I86 F121 M172 H179 S180	F78-L176 HydrophobicContact CE1-CD2 4.06Å; T83-L176 PolarHBondContact OG1-O 3.2Å; I86-L176 HydrophobicContact CG1-CD1 4.3Å; F121-L176 HydrophobicContact CD2-CD1 4.43Å; F121-L176 HydrophobicContact CD2-CD2 4.05Å; F121-L176 HydrophobicContact CD2-CG 4Å; F121-L176 HydrophobicContact CE2-CD2 4.49Å; F121-L176 HydrophobicContact CE2-CG 4.24Å; M172-L176 HydrophobicContact CG-CD1 3.76Å; M172-L176 HydrophobicContact CG-CG 4.4Å; M172-L176 WeakPolarHBondContact O-CB 3.36Å; M172-L176 WeakPolarHBondContact O-CG 3.24Å; M172-L176 PolarHBondContact O-N 2.88Å; L176-H179 PolarHBondContact O-N 2.93Å; L176-S180 WeakPolarHBondContact O-CB 3.41Å; L176-S180 PolarHBondContact O-N 3.43Å
177	G	97.9	Very high	96.2	Very high	12 Å²	12	18.3 Å²	18.3	12%	0.124	10%	0.102	C	C	.	.	H	α-helix	trans	-57.6	-51.8	177.1	0	0	0	0	0	112.6	T83 T173 M174 N175 S180	T83-G177 WeakPolarHBondContact OG1-CA 3.39Å; T83-G177 PolarHBondContact OG1-N 2.95Å; T173-G177 PolarHBondContact O-N 3.25Å; T173-G177 VanDerWaalsContact O-N 3.11Å; M174-G177 PolarHBondContact O-N 2.96Å; N175-G177 VanDerWaalsContact C-N 3.27Å; N175-G177 PolarHBondContact O-N 3.13Å; G177-S180 PolarHBondContact O-N 2.87Å; G177-S180 PolarHBondContact O-OG 3.41Å
178	V	97.9	Very high	96.5	Very high	13 Å²	13	21.1 Å²	21.1	8%	0.079	12%	0.116	C	C	.	.	H	α-helix	trans	-67.3	-40.7	178.8	175.8	0	0	0	0	111.6	M174 N175 S180 I181 M182 L206 Q207 Q210	M174-V178 WeakPolarHBondContact O-CG2 3.47Å; M174-V178 PolarHBondContact O-N 3.39Å; N175-V178 PolarHBondContact O-N 3.24Å; V178-S180 VanDerWaalsContact C-N 3.3Å; V178-S180 PolarHBondContact O-N 2.91Å; V178-I181 PolarHBondContact O-N 2.94Å; V178-M182 WeakPolarHBondContact O-CB 3.41Å; V178-M182 PolarHBondContact O-N 2.88Å; V178-L206 HydrophobicContact CG2-CB 4.2Å; V178-Q207 HydrophobicContact CG1-CG 3.51Å; V178-Q210 HydrophobicContact CG2-CB 4.4Å
179	H	97.8	Very high	96.7	Very high	7 Å²	7	25.6 Å²	25.6	3%	0.032	13%	0.129	C	C	.	.	H	α-helix	trans	-64.7	-33	178	-84.5	-141.9	0	0	0	112.1	E128 N175 L176 I181 M182 Y183	E128-H179 IonicContact OE1-CE1 3.77Å; E128-H179 IonicContact OE1-ND1 3.92Å; E128-H179 IonicContact OE2-CE1 2.84Å; E128-H179 PolarHBondContact OE2-CE1 2.98Å; E128-H179 VanDerWaalsContact OE2-CE1 3.27Å; E128-H179 IonicContact OE2-ND1 3.8Å; N175-H179 PolarHBondContact ND2-NE2 3.23Å; N175-H179 VanDerWaalsContact O-CB 3.23Å; N175-H179 WeakPolarHBondContact O-CB 3.24Å; N175-H179 PolarHBondContact O-CD2 3.47Å; N175-H179 PolarHBondContact O-N 2.86Å; L176-H179 PolarHBondContact O-N 2.93Å; H179-I181 VanDerWaalsContact C-N 3.31Å; H179-I181 PolarHBondContact O-N 3.26Å; H179-M182 PolarHBondContact O-N 2.98Å; H179-Y183 HydrophobicContact CB-CD2 4.06Å; H179-Y183 HydrophobicContact CB-CE2 4.24Å; H179-Y183 AromaticContact ND1-CE2 3.49Å; H179-Y183 WeakPolarHBondContact ND1-CE2 3.26Å; H179-Y183 WeakPolarHBondContact O-CB 3.39Å; H179-Y183 WeakPolarHBondContact O-CD2 3.48Å; H179-Y183 PolarHBondContact O-N 3.38Å
180	S	98.2	Very high	96.8	Very high	15 Å²	15	25.9 Å²	25.9	11%	0.105	13%	0.131	C	C	.	.	H	α-helix	trans	-58.9	-43.8	174.9	79.1	0	0	0	0	111.6	L176 G177 V178 T184	L176-S180 WeakPolarHBondContact O-CB 3.41Å; L176-S180 PolarHBondContact O-N 3.43Å; G177-S180 PolarHBondContact O-N 2.87Å; G177-S180 PolarHBondContact O-OG 3.41Å; V178-S180 VanDerWaalsContact C-N 3.3Å; V178-S180 PolarHBondContact O-N 2.91Å; S180-T184 VanDerWaalsContact O-CB 3.28Å; S180-T184 WeakPolarHBondContact O-CB 3.45Å; S180-T184 PolarHBondContact O-N 2.96Å; S180-T184 PolarHBondContact O-OG1 3.37Å
181	I	97.9	Very high	96.9	Very high	65 Å²	65	27.3 Å²	27.3	33%	0.333	15%	0.145	S	C	.	.	H	α-helix	trans	-74.2	-44.4	178.5	-56.7	169.8	0	0	0	110.3	V178 H179 T184 Y185 I203 L206	V178-I181 PolarHBondContact O-N 2.94Å; H179-I181 VanDerWaalsContact C-N 3.31Å; H179-I181 PolarHBondContact O-N 3.26Å; I181-T184 PolarHBondContact O-N 3.29Å; I181-Y185 WeakPolarHBondContact O-CB 3.17Å; I181-Y185 PolarHBondContact O-N 3.42Å; I181-I203 HydrophobicContact CG2-CD1 4.38Å; I181-I203 HydrophobicContact CG2-CG1 3.85Å; I181-L206 HydrophobicContact CD1-CD1 3.64Å
182	M	97.7	Very high	96.9	Very high	11 Å²	11	34.4 Å²	34.4	5%	0.054	18%	0.176	C	C	.	.	H	α-helix	trans	-62.5	-50	-178	-175.2	-174.5	73.7	0	0	112.4	V178 H179 Y185 Y186 I203 Q207	V178-M182 WeakPolarHBondContact O-CB 3.41Å; V178-M182 PolarHBondContact O-N 2.88Å; H179-M182 PolarHBondContact O-N 2.98Å; M182-Y185 WeakPolarHBondContact O-CB 3.32Å; M182-Y185 PolarHBondContact O-N 2.9Å; M182-Y186 HydrophobicContact CE-CE2 4.04Å; M182-Y186 HydrophobicContact CG-CD2 4.32Å; M182-Y186 HydrophobicContact CG-CE1 4.09Å; M182-Y186 HydrophobicContact CG-CE2 3.77Å; M182-Y186 PolarHBondContact O-N 2.98Å; M182-Y186 HydrophobicContact SD-CE2 3.99Å; M182-I203 HydrophobicContact CB-CG2 4.09Å; M182-I203 HydrophobicContact CG-CG2 4.13Å; M182-Q207 PolarHBondContact SD-NE2 3.26Å; M182-Q207 VanDerWaalsContact SD-NE2 3.41Å
183	Y	98.1	Very high	96.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-71.7	-31	-179.8	-79	-63.9	0	0	0	112.6	L75 E128 D131 H179 Y185 Y186 T187	L75-Y183 HydrophobicContact CB-CD1 3.79Å; L75-Y183 HydrophobicContact CB-CD2 3.82Å; L75-Y183 HydrophobicContact CB-CE1 4.04Å; L75-Y183 HydrophobicContact CB-CE2 4.03Å; L75-Y183 HydrophobicContact CB-CG 3.71Å; L75-Y183 HydrophobicContact CD1-CD1 4.02Å; L75-Y183 HydrophobicContact CD1-CE1 3.45Å; L75-Y183 VanDerWaalsContact CD1-CE1 3.45Å; L75-Y183 HydrophobicContact CD1-CE2 4.19Å; L75-Y183 HydrophobicContact CG-CE1 4.39Å; E128-Y183 WeakPolarHBondContact CG-OH 3.49Å; D131-Y183 WeakPolarHBondContact OD2-CE1 3.24Å; D131-Y183 PolarHBondContact OD2-OH 3.41Å; H179-Y183 HydrophobicContact CB-CD2 4.06Å; H179-Y183 HydrophobicContact CB-CE2 4.24Å; H179-Y183 AromaticContact ND1-CE2 3.49Å; H179-Y183 WeakPolarHBondContact ND1-CE2 3.26Å; H179-Y183 WeakPolarHBondContact O-CB 3.39Å; H179-Y183 WeakPolarHBondContact O-CD2 3.48Å; H179-Y183 PolarHBondContact O-N 3.38Å; Y183-Y185 VanDerWaalsContact C-N 3.33Å; Y183-Y186 AromaticContact CD1-CD2 3.96Å; Y183-Y186 HydrophobicContact CD1-CD2 3.96Å; Y183-Y186 HydrophobicContact CE1-CD2 4.12Å; Y183-Y186 PolarHBondContact O-N 2.87Å; Y183-T187 WeakPolarHBondContact O-CB 3.14Å; Y183-T187 PolarHBondContact O-N 3.5Å; Y183-T187 PolarHBondContact O-OG1 2.65Å
184	T	97.7	Very high	96.5	Very high	53 Å²	53	47.4 Å²	47.4	33%	0.325	24%	0.238	S	C	.	.	H	α-helix	trans	-59.9	-47	169	-61.6	0	0	0	0	110.2	S180 I181 Y186 T187 L188	S180-T184 VanDerWaalsContact O-CB 3.28Å; S180-T184 WeakPolarHBondContact O-CB 3.45Å; S180-T184 PolarHBondContact O-N 2.96Å; S180-T184 PolarHBondContact O-OG1 3.37Å; I181-T184 PolarHBondContact O-N 3.29Å; T184-Y186 PolarHBondContact O-N 3.11Å; T184-T187 WeakPolarHBondContact O-CB 3.01Å; T184-T187 PolarHBondContact O-N 2.71Å; T184-L188 HydrophobicContact CG2-CD1 4.4Å; T184-L188 WeakPolarHBondContact O-CG 3.47Å; T184-L188 PolarHBondContact O-N 3.06Å
185	Y	97.3	Very high	96.2	Very high	16 Å²	16	49.9 Å²	49.9	6%	0.063	25%	0.249	C	C	.	.	H	α-helix	trans	-59.9	-43.2	174.1	166.8	-111.3	0	0	0	112.8	I181 M182 Y183 T187 L188 K189 H195 L199 P200 I203	I181-Y185 WeakPolarHBondContact O-CB 3.17Å; I181-Y185 PolarHBondContact O-N 3.42Å; M182-Y185 WeakPolarHBondContact O-CB 3.32Å; M182-Y185 PolarHBondContact O-N 2.9Å; Y183-Y185 VanDerWaalsContact C-N 3.33Å; Y185-T187 VanDerWaalsContact C-N 3.33Å; Y185-T187 PolarHBondContact O-N 3.13Å; Y185-L188 PolarHBondContact O-N 3.05Å; Y185-K189 HydrophobicContact CE1-CD 4.12Å; Y185-K189 HydrophobicContact CE2-CB 4.49Å; Y185-K189 VanDerWaalsContact O-CB 3.27Å; Y185-K189 WeakPolarHBondContact O-CB 3.27Å; Y185-K189 PolarHBondContact O-N 3.47Å; Y185-K189 WeakPolarHBondContact OH-CD 3.31Å; Y185-K189 PolarHBondContact OH-NZ 3.2Å; Y185-H195 AromaticContact CE2-CD2 3.52Å; Y185-H195 AromaticContact CE2-NE2 3.54Å; Y185-L199 HydrophobicContact CD2-CD2 3.73Å; Y185-L199 HydrophobicContact CD2-CG 4.21Å; Y185-L199 HydrophobicContact CG-CD2 4.28Å; Y185-P200 HydrophobicContact CE1-CG 4.31Å; Y185-P200 HydrophobicContact CE2-CG 3.9Å; Y185-P200 WeakPolarHBondContact OH-CG 3.28Å; Y185-I203 VanDerWaalsContact CB-CD1 3.45Å; Y185-I203 HydrophobicContact CD1-CD1 3.64Å; Y185-I203 HydrophobicContact CD2-CD1 4.46Å; Y185-I203 HydrophobicContact CG-CD1 3.58Å
186	Y	96.3	Very high	95.9	Very high	91 Å²	91	53.6 Å²	53.6	36%	0.357	27%	0.274	S	S	.	.	H	α-helix	trans	-64.2	-38.3	177.6	-69	-8.6	0	0	0	112.6	M182 Y183 T184 K189 A190	M182-Y186 HydrophobicContact CE-CE2 4.04Å; M182-Y186 HydrophobicContact CG-CD2 4.32Å; M182-Y186 HydrophobicContact CG-CE1 4.09Å; M182-Y186 HydrophobicContact CG-CE2 3.77Å; M182-Y186 PolarHBondContact O-N 2.98Å; M182-Y186 HydrophobicContact SD-CE2 3.99Å; Y183-Y186 AromaticContact CD1-CD2 3.96Å; Y183-Y186 HydrophobicContact CD1-CD2 3.96Å; Y183-Y186 HydrophobicContact CE1-CD2 4.12Å; Y183-Y186 PolarHBondContact O-N 2.87Å; T184-Y186 PolarHBondContact O-N 3.11Å; Y186-K189 PolarHBondContact O-N 3.19Å; Y186-A190 VanDerWaalsContact O-CB 3.27Å; Y186-A190 WeakPolarHBondContact O-CB 3.39Å; Y186-A190 PolarHBondContact O-N 3.17Å
187	T	97.3	Very high	95.4	Very high	17 Å²	17	59.1 Å²	59.1	10%	0.104	31%	0.312	C	S	.	.	H	α-helix	trans	-60.3	-52	173.8	-56.5	0	0	0	0	110.8	I69 S72 F73 Y183 T184 Y185 K189 A190 A191	I69-T187 HydrophobicContact CG2-CG2 4.3Å; S72-T187 VanDerWaalsContact CB-OG1 3.3Å; S72-T187 WeakPolarHBondContact CB-OG1 3.46Å; S72-T187 PolarHBondContact O-OG1 3.28Å; F73-T187 WeakPolarHBondContact CA-OG1 3.36Å; F73-T187 HydrophobicContact CB-CG2 3.84Å; F73-T187 HydrophobicContact CD2-CG2 4.18Å; F73-T187 HydrophobicContact CG-CG2 4.49Å; F73-T187 PolarHBondContact N-OG1 3.42Å; F73-T187 VanDerWaalsContact N-OG1 3.12Å; Y183-T187 WeakPolarHBondContact O-CB 3.14Å; Y183-T187 PolarHBondContact O-N 3.5Å; Y183-T187 PolarHBondContact O-OG1 2.65Å; T184-T187 WeakPolarHBondContact O-CB 3.01Å; T184-T187 PolarHBondContact O-N 2.71Å; Y185-T187 VanDerWaalsContact C-N 3.33Å; Y185-T187 PolarHBondContact O-N 3.13Å; T187-K189 VanDerWaalsContact C-N 3.31Å; T187-K189 PolarHBondContact O-N 3.39Å; T187-A190 PolarHBondContact O-N 2.57Å; T187-A191 VanDerWaalsContact O-CB 3.32Å; T187-A191 WeakPolarHBondContact O-CB 3.28Å; T187-A191 PolarHBondContact O-N 3.49Å
188	L	96.6	Very high	95.2	Very high	59 Å²	59	63.4 Å²	63.4	31%	0.309	33%	0.332	S	S	.	.	H	α-helix	trans	-59.2	-43	177.8	-66.7	174.7	0	0	0	111.7	T184 Y185 A191 K192 V193	T184-L188 HydrophobicContact CG2-CD1 4.4Å; T184-L188 WeakPolarHBondContact O-CG 3.47Å; T184-L188 PolarHBondContact O-N 3.06Å; Y185-L188 PolarHBondContact O-N 3.05Å; L188-A191 CarbonylContact O-C 3.59Å; L188-A191 PolarHBondContact O-N 3.46Å; L188-K192 PolarHBondContact O-N 3.42Å; L188-K192 VanDerWaalsContact O-N 3.11Å; L188-V193 HydrophobicContact CB-CB 4.46Å; L188-V193 HydrophobicContact CD2-CB 4.08Å; L188-V193 HydrophobicContact CD2-CG1 4.08Å; L188-V193 HydrophobicContact CD2-CG2 4.45Å; L188-V193 PolarHBondContact O-N 3.19Å
189	K	94.6	Very high	94.9	Very high	117 Å²	117	64.8 Å²	64.8	51%	0.509	34%	0.338	S	S	.	.	H	α-helix	trans	-64.5	-42.2	178.1	-172.1	178.5	-165.8	162.1	0	112.1	Y185 Y186 T187 K192	Y185-K189 HydrophobicContact CE1-CD 4.12Å; Y185-K189 HydrophobicContact CE2-CB 4.49Å; Y185-K189 VanDerWaalsContact O-CB 3.27Å; Y185-K189 WeakPolarHBondContact O-CB 3.27Å; Y185-K189 PolarHBondContact O-N 3.47Å; Y185-K189 WeakPolarHBondContact OH-CD 3.31Å; Y185-K189 PolarHBondContact OH-NZ 3.2Å; Y186-K189 PolarHBondContact O-N 3.19Å; T187-K189 VanDerWaalsContact C-N 3.31Å; T187-K189 PolarHBondContact O-N 3.39Å; K189-K192 PolarHBondContact O-N 2.96Å
190	A	94.6	Very high	94.7	Very high	12 Å²	12	65.6 Å²	65.6	10%	0.099	34%	0.344	C	S	.	.	H	α-helix	trans	-69.2	-35.5	177.5	0	0	0	0	0	111.8	Q65 L68 I69 Y186 T187 K192	Q65-A190 WeakPolarHBondContact CG-O 3.12Å; Q65-A190 PolarHBondContact NE2-O 2.91Å; L68-A190 HydrophobicContact CD2-CB 4Å; L68-A190 HydrophobicContact CG-CB 4.01Å; I69-A190 HydrophobicContact CG1-CB 3.6Å; Y186-A190 VanDerWaalsContact O-CB 3.27Å; Y186-A190 WeakPolarHBondContact O-CB 3.39Å; Y186-A190 PolarHBondContact O-N 3.17Å; T187-A190 PolarHBondContact O-N 2.57Å; A190-K192 PolarHBondContact O-N 3.44Å
191	A	95.6	Very high	94.4	Very high	40 Å²	40	68.3 Å²	68.3	33%	0.331	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-3.3	174.9	0	0	0	0	0	113.8	I69 T187 L188 V193	I69-A191 HydrophobicContact CD1-CB 4.08Å; I69-A191 HydrophobicContact CG1-CB 4.25Å; T187-A191 VanDerWaalsContact O-CB 3.32Å; T187-A191 WeakPolarHBondContact O-CB 3.28Å; T187-A191 PolarHBondContact O-N 3.49Å; L188-A191 CarbonylContact O-C 3.59Å; L188-A191 PolarHBondContact O-N 3.46Å; A191-V193 HydrophobicContact CB-CG2 3.86Å; A191-V193 PolarHBondContact O-N 3.08Å
192	K	93.9	Very high	94.3	Very high	162 Å²	162	68.1 Å²	68.1	70%	0.704	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	28.3	-176.7	-57.2	172.5	175.6	163.1	0	113	L188 K189 A190	L188-K192 PolarHBondContact O-N 3.42Å; L188-K192 VanDerWaalsContact O-N 3.11Å; K189-K192 PolarHBondContact O-N 2.96Å; A190-K192 PolarHBondContact O-N 3.44Å
193	V	94.6	Very high	94.2	Very high	73 Å²	73	67.9 Å²	67.9	44%	0.442	36%	0.357	S	S	.	.			trans	-77.5	137.4	174.4	-178.6	0	0	0	0	109	L188 A191 H195	L188-V193 HydrophobicContact CB-CB 4.46Å; L188-V193 HydrophobicContact CD2-CB 4.08Å; L188-V193 HydrophobicContact CD2-CG1 4.08Å; L188-V193 HydrophobicContact CD2-CG2 4.45Å; L188-V193 PolarHBondContact O-N 3.19Å; A191-V193 HydrophobicContact CB-CG2 3.86Å; A191-V193 PolarHBondContact O-N 3.08Å; V193-H195 PolarHBondContact O-N 3.47Å; V193-H195 PolarHBondContact O-ND1 3.39Å; V193-H195 VanDerWaalsContact O-ND1 3.13Å
194	K	90.8	Very high	94.1	Very high	207 Å²	207	68.2 Å²	68.2	90%	0.9	36%	0.359	S	S	*	.			trans	-61.4	131.9	175.2	-70	-175.3	-179.5	178.7	0	109.2
195	H	90.4	Very high	94	Very high	69 Å²	69	68.2 Å²	68.2	32%	0.319	36%	0.361	S	S	.	.			trans	-135.3	155	179.7	53.5	-85.3	0	0	0	109.4	Y185 V193 S197	Y185-H195 AromaticContact CE2-CD2 3.52Å; Y185-H195 AromaticContact CE2-NE2 3.54Å; V193-H195 PolarHBondContact O-N 3.47Å; V193-H195 PolarHBondContact O-ND1 3.39Å; V193-H195 VanDerWaalsContact O-ND1 3.13Å; H195-S197 PolarHBondContact O-N 3.21Å
196	P	90.6	Very high	94	Very high	85 Å²	85	70 Å²	70	55%	0.552	37%	0.371	S	S	*	.			trans	-58.9	133.9	175.7	-23.4	34.2	0	0	0	111.3	I198 L199	P196-I198 HydrophobicContact CB-CG2 4Å; P196-I198 PolarHBondContact O-N 3.48Å; P196-L199 VanDerWaalsContact O-CB 3.3Å; P196-L199 WeakPolarHBondContact O-CB 3.14Å; P196-L199 PolarHBondContact O-N 2.95Å; P196-L199 VanDerWaalsContact O-N 3.11Å
197	S	88.4	Confident	94	Very high	117 Å²	117	66.8 Å²	66.8	82%	0.818	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.8	179.1	54.9	0	0	0	0	113.4	H195 P200	H195-S197 PolarHBondContact O-N 3.21Å; S197-P200 WeakPolarHBondContact O-CD 3.42Å
198	I	92.4	Very high	93.9	Very high	103 Å²	103	67.4 Å²	67.4	53%	0.528	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-21.3	176.7	-162.5	164.5	0	0	0	113.1	P196 P200 M201 V202	P196-I198 HydrophobicContact CB-CG2 4Å; P196-I198 PolarHBondContact O-N 3.48Å; I198-P200 VanDerWaalsContact C-CD 3.49Å; I198-M201 WeakPolarHBondContact O-CB 3.46Å; I198-M201 PolarHBondContact O-N 3.48Å; I198-V202 HydrophobicContact CG1-CG2 4.11Å; I198-V202 PolarHBondContact O-N 3.36Å
199	L	92.7	Very high	93.9	Very high	41 Å²	41	69 Å²	69	22%	0.215	37%	0.37	C	S	.	.	H	α-helix	trans	-58.3	-43	-172.7	-169.5	63	0	0	0	113.9	Y185 P196 M201 V202 I203	Y185-L199 HydrophobicContact CD2-CD2 3.73Å; Y185-L199 HydrophobicContact CD2-CG 4.21Å; Y185-L199 HydrophobicContact CG-CD2 4.28Å; P196-L199 VanDerWaalsContact O-CB 3.3Å; P196-L199 WeakPolarHBondContact O-CB 3.14Å; P196-L199 PolarHBondContact O-N 2.95Å; P196-L199 VanDerWaalsContact O-N 3.11Å; L199-M201 VanDerWaalsContact C-N 3.29Å; L199-M201 PolarHBondContact O-N 3.26Å; L199-V202 PolarHBondContact O-N 3.05Å; L199-I203 HydrophobicContact CG-CD1 4.11Å; L199-I203 WeakPolarHBondContact O-CD1 3.33Å; L199-I203 VanDerWaalsContact O-CG1 3.29Å; L199-I203 WeakPolarHBondContact O-CG1 3.39Å; L199-I203 PolarHBondContact O-N 3.29Å
200	P	92.4	Very high	94	Very high	25 Å²	25	64.1 Å²	64.1	16%	0.162	35%	0.349	C	S	.	.	H	α-helix	trans	-63	-35.2	176.1	-19.6	33.3	0	0	0	113	Y185 S197 I198 T204 Y259	Y185-P200 HydrophobicContact CE1-CG 4.31Å; Y185-P200 HydrophobicContact CE2-CG 3.9Å; Y185-P200 WeakPolarHBondContact OH-CG 3.28Å; S197-P200 WeakPolarHBondContact O-CD 3.42Å; I198-P200 VanDerWaalsContact C-CD 3.49Å; P200-T204 PolarHBondContact O-N 3.3Å; P200-T204 VanDerWaalsContact O-N 3.07Å; P200-T204 PolarHBondContact O-OG1 3.39Å; P200-Y259 VanDerWaalsContact C-OH 3.31Å; P200-Y259 WeakPolarHBondContact CB-OH 3.42Å; P200-Y259 PolarHBondContact O-OH 3.07Å
201	M	93.1	Very high	94	Very high	71 Å²	71	63.7 Å²	63.7	35%	0.35	35%	0.345	S	S	.	.	H	α-helix	trans	-67.8	-46.4	176.7	-174.4	-173.9	-69	0	0	110.1	I198 L199 I203 T204 S205 F255 Y259	I198-M201 WeakPolarHBondContact O-CB 3.46Å; I198-M201 PolarHBondContact O-N 3.48Å; L199-M201 VanDerWaalsContact C-N 3.29Å; L199-M201 PolarHBondContact O-N 3.26Å; M201-I203 VanDerWaalsContact C-N 3.33Å; M201-I203 PolarHBondContact O-N 3.28Å; M201-T204 PolarHBondContact O-N 3.12Å; M201-S205 PolarHBondContact O-N 2.62Å; M201-S205 PolarHBondContact O-OG 2.62Å; M201-S205 VanDerWaalsContact O-OG 3.06Å; M201-F255 HydrophobicContact CG-CE2 3.74Å; M201-F255 HydrophobicContact CG-CZ 3.91Å; M201-F255 HydrophobicContact SD-CZ 4.45Å; M201-Y259 HydrophobicContact CB-CD1 4.33Å; M201-Y259 HydrophobicContact CB-CE1 4.05Å; M201-Y259 HydrophobicContact CE-CD1 3.69Å; M201-Y259 HydrophobicContact CE-CE1 4.44Å; M201-Y259 HydrophobicContact CE-CG 3.94Å; M201-Y259 HydrophobicContact CG-CD1 4.41Å; M201-Y259 HydrophobicContact CG-CD2 4.42Å; M201-Y259 HydrophobicContact CG-CG 4.34Å
202	V	95.7	Very high	94	Very high	61 Å²	61	64.4 Å²	64.4	37%	0.37	35%	0.345	S	S	.	.	H	α-helix	trans	-57.5	-45.6	175.6	173	0	0	0	0	111.3	I198 L199 T204 S205 L206	I198-V202 HydrophobicContact CG1-CG2 4.11Å; I198-V202 PolarHBondContact O-N 3.36Å; L199-V202 PolarHBondContact O-N 3.05Å; V202-T204 VanDerWaalsContact C-N 3.35Å; V202-T204 PolarHBondContact O-N 3.27Å; V202-S205 PolarHBondContact O-N 3.27Å; V202-L206 HydrophobicContact CG1-CD1 3.98Å; V202-L206 HydrophobicContact CG1-CG 4.33Å; V202-L206 WeakPolarHBondContact O-CG 3.21Å; V202-L206 PolarHBondContact O-N 3.23Å
203	I	96.2	Very high	94	Very high	7 Å²	7	59.9 Å²	59.9	4%	0.036	33%	0.327	C	S	.	.	H	α-helix	trans	-58.6	-48	177.3	-69.4	160.9	0	0	0	110.7	I181 M182 Y185 L199 M201 S205 L206 Q207	I181-I203 HydrophobicContact CG2-CD1 4.38Å; I181-I203 HydrophobicContact CG2-CG1 3.85Å; M182-I203 HydrophobicContact CB-CG2 4.09Å; M182-I203 HydrophobicContact CG-CG2 4.13Å; Y185-I203 VanDerWaalsContact CB-CD1 3.45Å; Y185-I203 HydrophobicContact CD1-CD1 3.64Å; Y185-I203 HydrophobicContact CD2-CD1 4.46Å; Y185-I203 HydrophobicContact CG-CD1 3.58Å; L199-I203 HydrophobicContact CG-CD1 4.11Å; L199-I203 WeakPolarHBondContact O-CD1 3.33Å; L199-I203 VanDerWaalsContact O-CG1 3.29Å; L199-I203 WeakPolarHBondContact O-CG1 3.39Å; L199-I203 PolarHBondContact O-N 3.29Å; M201-I203 VanDerWaalsContact C-N 3.33Å; M201-I203 PolarHBondContact O-N 3.28Å; I203-S205 VanDerWaalsContact C-N 3.31Å; I203-S205 PolarHBondContact O-N 3.36Å; I203-L206 PolarHBondContact O-N 2.86Å; I203-Q207 WeakPolarHBondContact O-CG 3.12Å; I203-Q207 PolarHBondContact O-N 2.88Å
204	T	94.6	Very high	93.9	Very high	6 Å²	6	56.4 Å²	56.4	4%	0.037	31%	0.306	C	S	.	.	H	α-helix	trans	-64.7	-38.2	-179.8	-47.1	0	0	0	0	111.2	P200 M201 V202 Q207 I208 F251 F254 F255 Y259	P200-T204 PolarHBondContact O-N 3.3Å; P200-T204 VanDerWaalsContact O-N 3.07Å; P200-T204 PolarHBondContact O-OG1 3.39Å; M201-T204 PolarHBondContact O-N 3.12Å; V202-T204 VanDerWaalsContact C-N 3.35Å; V202-T204 PolarHBondContact O-N 3.27Å; T204-Q207 PolarHBondContact O-N 3.33Å; T204-I208 HydrophobicContact CG2-CD1 4.48Å; T204-I208 WeakPolarHBondContact O-CG1 3.19Å; T204-I208 PolarHBondContact O-N 2.93Å; T204-F251 HydrophobicContact CG2-CD1 4.4Å; T204-F254 HydrophobicContact CG2-CD1 3.87Å; T204-F254 HydrophobicContact CG2-CE1 4.12Å; T204-F255 HydrophobicContact CG2-CB 4.16Å; T204-F255 HydrophobicContact CG2-CD2 3.74Å; T204-F255 HydrophobicContact CG2-CG 4.46Å; T204-Y259 HydrophobicContact CG2-CE2 4.36Å
205	S	95.7	Very high	94	Very high	53 Å²	53	47.9 Å²	47.9	37%	0.371	27%	0.272	S	S	.	.	H	α-helix	trans	-63.6	-41.9	174.1	-61.2	0	0	0	0	112.3	M201 V202 I203 Q207 I208 L209 F255	M201-S205 PolarHBondContact O-N 2.62Å; M201-S205 PolarHBondContact O-OG 2.62Å; M201-S205 VanDerWaalsContact O-OG 3.06Å; V202-S205 PolarHBondContact O-N 3.27Å; I203-S205 VanDerWaalsContact C-N 3.31Å; I203-S205 PolarHBondContact O-N 3.36Å; S205-Q207 VanDerWaalsContact C-N 3.34Å; S205-I208 PolarHBondContact O-N 3.35Å; S205-L209 WeakPolarHBondContact O-CB 3.48Å; S205-L209 PolarHBondContact O-N 3.19Å; S205-F255 WeakPolarHBondContact OG-CE2 3.36Å
206	L	97	Very high	94.2	Very high	54 Å²	54	48 Å²	48	28%	0.283	27%	0.274	S	S	.	.	H	α-helix	trans	-65	-37.8	175.4	-71.8	172.3	0	0	0	111.9	V178 I181 V202 I203 L209 Q210	V178-L206 HydrophobicContact CG2-CB 4.2Å; I181-L206 HydrophobicContact CD1-CD1 3.64Å; V202-L206 HydrophobicContact CG1-CD1 3.98Å; V202-L206 HydrophobicContact CG1-CG 4.33Å; V202-L206 WeakPolarHBondContact O-CG 3.21Å; V202-L206 PolarHBondContact O-N 3.23Å; I203-L206 PolarHBondContact O-N 2.86Å; L206-L209 PolarHBondContact O-N 3.38Å; L206-Q210 WeakPolarHBondContact O-CB 3.32Å; L206-Q210 PolarHBondContact O-N 2.82Å
207	Q	96.3	Very high	94.2	Very high	23 Å²	23	44.5 Å²	44.5	11%	0.107	25%	0.25	C	S	.	.	H	α-helix	trans	-62.8	-43.4	173.6	-73	171	-36.1	0	0	111.5	V178 M182 I203 T204 S205 Q210 M211 F251	V178-Q207 HydrophobicContact CG1-CG 3.51Å; M182-Q207 PolarHBondContact SD-NE2 3.26Å; M182-Q207 VanDerWaalsContact SD-NE2 3.41Å; I203-Q207 WeakPolarHBondContact O-CG 3.12Å; I203-Q207 PolarHBondContact O-N 2.88Å; T204-Q207 PolarHBondContact O-N 3.33Å; S205-Q207 VanDerWaalsContact C-N 3.34Å; Q207-Q210 WeakPolarHBondContact O-CB 3.45Å; Q207-Q210 PolarHBondContact O-N 3.44Å; Q207-M211 WeakPolarHBondContact O-CE 3.37Å; Q207-M211 WeakPolarHBondContact O-CG 3.46Å; Q207-M211 PolarHBondContact O-N 2.82Å; Q207-M211 VanDerWaalsContact O-N 3.16Å; Q207-F251 HydrophobicContact CB-CD1 4.08Å; Q207-F251 HydrophobicContact CB-CE1 4.12Å; Q207-F251 HydrophobicContact CG-CE1 4.36Å
208	I	95.9	Very high	94.3	Very high	30 Å²	30	39 Å²	39	15%	0.154	21%	0.212	C	C	.	.	H	α-helix	trans	-64	-44.6	175.5	-67.8	167.1	0	0	0	110.8	T204 S205 Q210 M211 V212 F248 F251 F255	T204-I208 HydrophobicContact CG2-CD1 4.48Å; T204-I208 WeakPolarHBondContact O-CG1 3.19Å; T204-I208 PolarHBondContact O-N 2.93Å; S205-I208 PolarHBondContact O-N 3.35Å; I208-Q210 VanDerWaalsContact C-N 3.3Å; I208-Q210 PolarHBondContact O-N 2.62Å; I208-M211 WeakPolarHBondContact O-CA 3.46Å; I208-M211 WeakPolarHBondContact O-CB 3.21Å; I208-M211 PolarHBondContact O-N 2.66Å; I208-V212 PolarHBondContact O-N 3.06Å; I208-V212 VanDerWaalsContact O-N 3.1Å; I208-F248 HydrophobicContact CG2-CD2 4.03Å; I208-F248 HydrophobicContact CG2-CE2 3.79Å; I208-F251 HydrophobicContact CG1-CB 3.84Å; I208-F255 HydrophobicContact CD1-CB 3.83Å; I208-F255 HydrophobicContact CD1-CD2 4.08Å; I208-F255 HydrophobicContact CD1-CG 4.07Å
209	L	96.3	Very high	94.2	Very high	94 Å²	94	37.4 Å²	37.4	49%	0.492	20%	0.204	S	C	.	.	H	α-helix	trans	-59.5	-41.9	176.7	-179	62.6	0	0	0	111.5	S205 L206 M211 V212 M213	S205-L209 WeakPolarHBondContact O-CB 3.48Å; S205-L209 PolarHBondContact O-N 3.19Å; L206-L209 PolarHBondContact O-N 3.38Å; L209-M211 PolarHBondContact O-N 3.35Å; L209-V212 PolarHBondContact O-N 2.01Å; L209-M213 HydrophobicContact CD1-CG 4.26Å; L209-M213 HydrophobicContact CG-CG 4.37Å; L209-M213 WeakPolarHBondContact O-CG 3.36Å; L209-M213 PolarHBondContact O-N 3.35Å
210	Q	96.3	Very high	94.1	Very high	13 Å²	13	37.3 Å²	37.3	6%	0.061	20%	0.203	C	C	.	.	H	α-helix	trans	-56.9	-38.5	172.9	175.1	-169.7	-50.7	0	0	111.3	M174 V178 L206 Q207 I208 G214	M174-Q210 HydrophobicContact CB-CG 3.96Å; V178-Q210 HydrophobicContact CG2-CB 4.4Å; L206-Q210 WeakPolarHBondContact O-CB 3.32Å; L206-Q210 PolarHBondContact O-N 2.82Å; Q207-Q210 WeakPolarHBondContact O-CB 3.45Å; Q207-Q210 PolarHBondContact O-N 3.44Å; I208-Q210 VanDerWaalsContact C-N 3.3Å; I208-Q210 PolarHBondContact O-N 2.62Å; Q210-G214 PolarHBondContact O-N 2.73Å
211	M	94.9	Very high	93.9	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.015	20%	0.196	C	C	.	.	H	α-helix	trans	-68.6	-39.3	178.9	-56	-47.7	141.1	0	0	112.8	Q207 I208 L209 T215 Y244 Y247 F248	Q207-M211 WeakPolarHBondContact O-CE 3.37Å; Q207-M211 WeakPolarHBondContact O-CG 3.46Å; Q207-M211 PolarHBondContact O-N 2.82Å; Q207-M211 VanDerWaalsContact O-N 3.16Å; I208-M211 WeakPolarHBondContact O-CA 3.46Å; I208-M211 WeakPolarHBondContact O-CB 3.21Å; I208-M211 PolarHBondContact O-N 2.66Å; L209-M211 PolarHBondContact O-N 3.35Å; M211-T215 PolarHBondContact O-N 3.14Å; M211-T215 PolarHBondContact O-OG1 3.11Å; M211-Y244 HydrophobicContact CB-CD1 4.4Å; M211-Y244 HydrophobicContact SD-CD1 3.7Å; M211-Y244 HydrophobicContact SD-CE1 3.92Å; M211-Y247 HydrophobicContact CE-CD2 4.15Å; M211-Y247 VanDerWaalsContact SD-CB 3.59Å; M211-Y247 HydrophobicContact SD-CD2 3.75Å; M211-Y247 HydrophobicContact SD-CG 4.21Å; M211-F248 HydrophobicContact CB-CB 3.97Å; M211-F248 HydrophobicContact CB-CD2 4.42Å
212	V	95.2	Very high	93.7	Very high	56 Å²	56	36.1 Å²	36.1	34%	0.339	19%	0.192	S	C	.	.	H	α-helix	trans	-63.1	-51	175.2	175	0	0	0	0	110.4	I208 L209 G214 T215 I216 F248	I208-V212 PolarHBondContact O-N 3.06Å; I208-V212 VanDerWaalsContact O-N 3.1Å; L209-V212 PolarHBondContact O-N 2.01Å; V212-G214 VanDerWaalsContact C-N 3.34Å; V212-G214 PolarHBondContact O-N 2.85Å; V212-T215 WeakPolarHBondContact O-CB 3.28Å; V212-T215 PolarHBondContact O-N 2.96Å; V212-I216 HydrophobicContact CG1-CD1 3.96Å; V212-I216 WeakPolarHBondContact O-CG1 3.34Å; V212-I216 PolarHBondContact O-N 2.64Å; V212-F248 HydrophobicContact CG2-CD2 3.95Å; V212-F248 HydrophobicContact CG2-CE2 3.75Å
213	M	94.8	Very high	93.4	Very high	66 Å²	66	38 Å²	38	33%	0.325	20%	0.199	S	C	.	.	H	α-helix	trans	-62.8	-40.1	179.3	-67.9	-59.1	-63.9	0	0	112.1	M174 L209 T215 I216 F217	M174-M213 HydrophobicContact CE-CB 4.3Å; M174-M213 HydrophobicContact SD-CB 3.51Å; M174-M213 VanDerWaalsContact SD-CB 3.51Å; M174-M213 HydrophobicContact SD-CG 4.4Å; L209-M213 HydrophobicContact CD1-CG 4.26Å; L209-M213 HydrophobicContact CG-CG 4.37Å; L209-M213 WeakPolarHBondContact O-CG 3.36Å; L209-M213 PolarHBondContact O-N 3.35Å; M213-T215 VanDerWaalsContact C-N 3.34Å; M213-T215 PolarHBondContact O-N 3.19Å; M213-I216 PolarHBondContact O-N 2.98Å; M213-I216 HydrophobicContact SD-CD1 4.21Å; M213-F217 HydrophobicContact CE-CE1 4.4Å; M213-F217 HydrophobicContact CE-CE2 4.35Å; M213-F217 HydrophobicContact CE-CZ 3.87Å; M213-F217 WeakPolarHBondContact O-CD2 3.49Å; M213-F217 WeakPolarHBondContact O-CG 3.32Å; M213-F217 PolarHBondContact O-N 3.41Å
214	G	92.9	Very high	93.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.4	-41.9	175.5	0	0	0	0	0	112.7	F171 Q210 V212 F217 G218	F171-G214 WeakPolarHBondContact CE1-O 3.33Å; Q210-G214 PolarHBondContact O-N 2.73Å; V212-G214 VanDerWaalsContact C-N 3.34Å; V212-G214 PolarHBondContact O-N 2.85Å; G214-F217 PolarHBondContact O-N 2.94Å; G214-G218 PolarHBondContact O-N 2.66Å
215	T	93	Very high	92.7	Very high	28 Å²	28	43.4 Å²	43.4	17%	0.172	22%	0.219	C	C	.	.	H	α-helix	trans	-63.4	-43.6	174.8	-53.9	0	0	0	0	111.4	M211 V212 M213 G218 I219 F241	M211-T215 PolarHBondContact O-N 3.14Å; M211-T215 PolarHBondContact O-OG1 3.11Å; V212-T215 WeakPolarHBondContact O-CB 3.28Å; V212-T215 PolarHBondContact O-N 2.96Å; M213-T215 VanDerWaalsContact C-N 3.34Å; M213-T215 PolarHBondContact O-N 3.19Å; T215-G218 PolarHBondContact O-N 3.49Å; T215-I219 HydrophobicContact CG2-CD1 3.98Å; T215-I219 WeakPolarHBondContact O-CG1 3.32Å; T215-I219 PolarHBondContact O-N 3.48Å; T215-F241 HydrophobicContact CG2-CD2 4.03Å; T215-F241 HydrophobicContact CG2-CE2 4.01Å
216	I	93	Very high	92	Very high	71 Å²	71	48 Å²	48	36%	0.364	23%	0.234	S	C	.	.	H	α-helix	trans	-59.3	-49.3	176.4	-68.7	166.3	0	0	0	110.6	V212 M213 G218 I219 L220	V212-I216 HydrophobicContact CG1-CD1 3.96Å; V212-I216 WeakPolarHBondContact O-CG1 3.34Å; V212-I216 PolarHBondContact O-N 2.64Å; M213-I216 PolarHBondContact O-N 2.98Å; M213-I216 HydrophobicContact SD-CD1 4.21Å; I216-G218 VanDerWaalsContact C-N 3.3Å; I216-G218 PolarHBondContact O-N 3.12Å; I216-I219 PolarHBondContact O-N 3.29Å; I216-L220 HydrophobicContact CG2-CD1 3.91Å; I216-L220 HydrophobicContact CG2-CG 4.26Å; I216-L220 WeakPolarHBondContact O-CG 3.29Å; I216-L220 PolarHBondContact O-N 3.37Å
217	F	91.9	Very high	91.3	Very high	13 Å²	13	49.2 Å²	49.2	6%	0.057	24%	0.238	C	C	.	.	H	α-helix	trans	-62.6	-36.6	177.9	-65.8	-37.9	0	0	0	112.5	L99 V103 W170 F171 M174 M213 G214 L220 N221	L99-F217 HydrophobicContact CD1-CE1 4Å; V103-F217 HydrophobicContact CG2-CD1 3.92Å; V103-F217 HydrophobicContact CG2-CE1 4.38Å; W170-F217 HydrophobicContact CB-CD2 3.59Å; W170-F217 HydrophobicContact CB-CE2 3.63Å; W170-F217 HydrophobicContact CB-CG 4.4Å; W170-F217 HydrophobicContact CB-CZ 4.47Å; W170-F217 AromaticContact CD2-CE2 3.86Å; W170-F217 HydrophobicContact CD2-CE2 3.86Å; W170-F217 AromaticContact CD2-CZ 3.91Å; W170-F217 HydrophobicContact CD2-CZ 3.91Å; W170-F217 HydrophobicContact CE3-CE2 4.07Å; W170-F217 HydrophobicContact CE3-CZ 4.18Å; W170-F217 AromaticContact CG-CD2 3.94Å; W170-F217 HydrophobicContact CG-CD2 3.94Å; W170-F217 AromaticContact CG-CE2 3.69Å; W170-F217 HydrophobicContact CG-CE2 3.69Å; W170-F217 HydrophobicContact CG-CZ 4.05Å; F171-F217 HydrophobicContact CE1-CB 4.24Å; M174-F217 HydrophobicContact CE-CD2 3.72Å; M174-F217 HydrophobicContact CE-CE2 3.73Å; M174-F217 HydrophobicContact SD-CD2 4.48Å; M174-F217 HydrophobicContact SD-CE2 3.94Å; M213-F217 HydrophobicContact CE-CE1 4.4Å; M213-F217 HydrophobicContact CE-CE2 4.35Å; M213-F217 HydrophobicContact CE-CZ 3.87Å; M213-F217 WeakPolarHBondContact O-CD2 3.49Å; M213-F217 WeakPolarHBondContact O-CG 3.32Å; M213-F217 PolarHBondContact O-N 3.41Å; G214-F217 PolarHBondContact O-N 2.94Å; F217-L220 HydrophobicContact CD1-CD1 4.41Å; F217-N221 WeakPolarHBondContact O-CB 3.2Å; F217-N221 PolarHBondContact O-N 2.98Å
218	G	89.9	Confident	90.2	Very high	2 Å²	2	58 Å²	58	2%	0.021	28%	0.276	C	S	.	.	H	α-helix	trans	-61	-46.6	172.5	0	0	0	0	0	112.7	G214 T215 I216 N221 Y222 F237	G214-G218 PolarHBondContact O-N 2.66Å; T215-G218 PolarHBondContact O-N 3.49Å; I216-G218 VanDerWaalsContact C-N 3.3Å; I216-G218 PolarHBondContact O-N 3.12Å; G218-N221 PolarHBondContact O-N 3.35Å; G218-Y222 PolarHBondContact O-N 2.97Å; G218-F237 WeakPolarHBondContact O-CD2 3.43Å
219	I	90.8	Very high	89.1	Confident	68 Å²	68	57.9 Å²	57.9	35%	0.349	28%	0.282	S	S	.	.	H	α-helix	trans	-64.1	-45.9	177.8	-68.2	166.5	0	0	0	111	T215 I216 N221 Y222 I223 F237	T215-I219 HydrophobicContact CG2-CD1 3.98Å; T215-I219 WeakPolarHBondContact O-CG1 3.32Å; T215-I219 PolarHBondContact O-N 3.48Å; I216-I219 PolarHBondContact O-N 3.29Å; I219-N221 PolarHBondContact O-N 2.88Å; I219-Y222 PolarHBondContact O-N 3.09Å; I219-I223 HydrophobicContact CG2-CD1 3.69Å; I219-I223 HydrophobicContact CG2-CG1 4.31Å; I219-I223 WeakPolarHBondContact O-CG1 3.26Å; I219-I223 PolarHBondContact O-N 3.47Å; I219-F237 HydrophobicContact CG1-CE2 4.1Å; I219-F237 HydrophobicContact CG1-CZ 4.42Å
220	L	90.9	Very high	88.3	Confident	40 Å²	40	53.8 Å²	53.8	21%	0.209	26%	0.262	C	S	.	.	H	α-helix	trans	-60.9	-45.7	178	-71.1	176.9	0	0	0	111.5	L99 V103 I216 F217 Y222 I223 W224	L99-L220 HydrophobicContact CD2-CD1 4.08Å; V103-L220 HydrophobicContact CG1-CB 4.29Å; I216-L220 HydrophobicContact CG2-CD1 3.91Å; I216-L220 HydrophobicContact CG2-CG 4.26Å; I216-L220 WeakPolarHBondContact O-CG 3.29Å; I216-L220 PolarHBondContact O-N 3.37Å; F217-L220 HydrophobicContact CD1-CD1 4.41Å; L220-Y222 VanDerWaalsContact C-N 3.28Å; L220-Y222 PolarHBondContact O-N 3.03Å; L220-I223 PolarHBondContact O-N 3.02Å; L220-W224 HydrophobicContact CB-CE3 4.07Å; L220-W224 HydrophobicContact CB-CH2 4.07Å; L220-W224 HydrophobicContact CB-CZ2 4.49Å; L220-W224 HydrophobicContact CB-CZ3 3.83Å; L220-W224 HydrophobicContact CD1-CH2 4.01Å; L220-W224 HydrophobicContact CD1-CZ3 4.36Å; L220-W224 HydrophobicContact CD2-CH2 4.06Å; L220-W224 HydrophobicContact CD2-CZ2 3.91Å; L220-W224 HydrophobicContact CG-CH2 4.28Å; L220-W224 WeakPolarHBondContact O-CB 3.43Å; L220-W224 PolarHBondContact O-N 3.45Å
221	N	87.7	Confident	87.1	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-59.2	-39.4	175.4	-178.7	-97.8	0	0	0	111.5	V103 F217 G218 I219 R225 T232	V103-N221 HydrophobicContact CG1-CB 3.83Å; V103-N221 PolarHBondContact O-ND2 2.88Å; F217-N221 WeakPolarHBondContact O-CB 3.2Å; F217-N221 PolarHBondContact O-N 2.98Å; G218-N221 PolarHBondContact O-N 3.35Å; I219-N221 PolarHBondContact O-N 2.88Å; N221-R225 PolarHBondContact O-N 3.48Å; N221-T232 PolarHBondContact ND2-OG1 2.61Å; N221-T232 WeakPolarHBondContact OD1-CB 3.25Å; N221-T232 WeakPolarHBondContact OD1-CG2 3.17Å; N221-T232 PolarHBondContact OD1-OG1 2.96Å
222	Y	88.8	Confident	86.2	Confident	70 Å²	70	63.5 Å²	63.5	28%	0.275	30%	0.301	S	S	.	.	H	α-helix	trans	-68.8	-41.7	174.8	-177.3	-106.2	0	0	0	113.3	G218 I219 L220 R225 F237	G218-Y222 PolarHBondContact O-N 2.97Å; I219-Y222 PolarHBondContact O-N 3.09Å; L220-Y222 VanDerWaalsContact C-N 3.28Å; L220-Y222 PolarHBondContact O-N 3.03Å; Y222-R225 WeakPolarHBondContact O-CB 3.46Å; Y222-R225 VanDerWaalsContact O-CD 3.26Å; Y222-R225 WeakPolarHBondContact O-CD 3.28Å; Y222-R225 WeakPolarHBondContact O-CG 3.43Å; Y222-R225 PolarHBondContact O-N 3.12Å; Y222-R225 PolarHBondContact O-NH1 2.92Å; Y222-R225 PolarHBondContact OH-NH2 3.1Å; Y222-F237 HydrophobicContact CD1-CD1 4.46Å; Y222-F237 HydrophobicContact CD1-CE1 4.35Å; Y222-F237 HydrophobicContact CD2-CB 3.85Å; Y222-F237 AromaticContact CD2-CD1 3.74Å; Y222-F237 HydrophobicContact CD2-CD1 3.74Å; Y222-F237 HydrophobicContact CD2-CD2 4.37Å; Y222-F237 HydrophobicContact CD2-CE1 4.41Å; Y222-F237 AromaticContact CD2-CG 3.71Å; Y222-F237 HydrophobicContact CD2-CG 3.71Å; Y222-F237 HydrophobicContact CE2-CD1 4.1Å; Y222-F237 HydrophobicContact CE2-CG 4.48Å; Y222-F237 HydrophobicContact CG-CB 4.38Å; Y222-F237 AromaticContact CG-CD1 3.94Å; Y222-F237 HydrophobicContact CG-CD1 3.94Å; Y222-F237 HydrophobicContact CG-CD2 4.07Å; Y222-F237 HydrophobicContact CG-CE1 4.23Å; Y222-F237 HydrophobicContact CG-CE2 4.36Å; Y222-F237 AromaticContact CG-CG 3.85Å; Y222-F237 HydrophobicContact CG-CG 3.85Å; Y222-F237 HydrophobicContact CG-CZ 4.43Å
223	I	90.1	Very high	85.6	Confident	101 Å²	101	63.8 Å²	63.8	52%	0.518	30%	0.303	S	S	.	.	H	α-helix	trans	-63.3	-44.6	178.6	-70.6	168.2	0	0	0	110.5	I219 L220 R225	I219-I223 HydrophobicContact CG2-CD1 3.69Å; I219-I223 HydrophobicContact CG2-CG1 4.31Å; I219-I223 WeakPolarHBondContact O-CG1 3.26Å; I219-I223 PolarHBondContact O-N 3.47Å; L220-I223 PolarHBondContact O-N 3.02Å; I223-R225 VanDerWaalsContact C-N 3.27Å; I223-R225 PolarHBondContact O-N 3.47Å
224	W	89.3	Confident	85.1	Confident	55 Å²	55	64.9 Å²	64.9	21%	0.208	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-80.6	-1.8	-176.1	-63	-30.6	0	0	0	114.6	L99 K100 V103 C104 L220 Q226 E227	L99-W224 HydrophobicContact CD2-CH2 4.12Å; L99-W224 HydrophobicContact CG-CH2 4.21Å; L99-W224 HydrophobicContact CG-CZ3 4.47Å; K100-W224 HydrophobicContact CB-CE3 4.34Å; K100-W224 HydrophobicContact CB-CH2 4.49Å; K100-W224 HydrophobicContact CB-CZ3 4.2Å; K100-W224 HydrophobicContact CD-CD2 4.49Å; K100-W224 HydrophobicContact CG-CD2 3.96Å; K100-W224 HydrophobicContact CG-CE3 3.81Å; K100-W224 HydrophobicContact CG-CG 4.4Å; K100-W224 HydrophobicContact CG-CZ3 4.18Å; V103-W224 HydrophobicContact CB-CE3 4.49Å; V103-W224 HydrophobicContact CB-CZ3 4.02Å; V103-W224 HydrophobicContact CG1-CE3 4.26Å; V103-W224 HydrophobicContact CG1-CZ3 4.03Å; C104-W224 HydrophobicContact CB-CB 4.4Å; C104-W224 HydrophobicContact CB-CE3 4.4Å; C104-W224 WeakPolarHBondContact SG-CB 3.49Å; L220-W224 HydrophobicContact CB-CE3 4.07Å; L220-W224 HydrophobicContact CB-CH2 4.07Å; L220-W224 HydrophobicContact CB-CZ2 4.49Å; L220-W224 HydrophobicContact CB-CZ3 3.83Å; L220-W224 HydrophobicContact CD1-CH2 4.01Å; L220-W224 HydrophobicContact CD1-CZ3 4.36Å; L220-W224 HydrophobicContact CD2-CH2 4.06Å; L220-W224 HydrophobicContact CD2-CZ2 3.91Å; L220-W224 HydrophobicContact CG-CH2 4.28Å; L220-W224 WeakPolarHBondContact O-CB 3.43Å; L220-W224 PolarHBondContact O-N 3.45Å; W224-Q226 PolarHBondContact O-N 3.43Å; W224-E227 PolarHBondContact O-N 2.88Å; W224-E227 VanDerWaalsContact O-N 3.14Å
225	R	85.4	Confident	84.7	Confident	71 Å²	71	70.9 Å²	70.9	27%	0.268	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-59	-21.2	-179.6	82	-173	-177.5	-83.6	4.4	114.9	N221 Y222 I223 E227	N221-R225 PolarHBondContact O-N 3.48Å; Y222-R225 WeakPolarHBondContact O-CB 3.46Å; Y222-R225 VanDerWaalsContact O-CD 3.26Å; Y222-R225 WeakPolarHBondContact O-CD 3.28Å; Y222-R225 WeakPolarHBondContact O-CG 3.43Å; Y222-R225 PolarHBondContact O-N 3.12Å; Y222-R225 PolarHBondContact O-NH1 2.92Å; Y222-R225 PolarHBondContact OH-NH2 3.1Å; I223-R225 VanDerWaalsContact C-N 3.27Å; I223-R225 PolarHBondContact O-N 3.47Å; R225-E227 PolarHBondContact O-N 3.32Å
226	Q	82.5	Confident	84.3	Confident	148 Å²	148	70.2 Å²	70.2	69%	0.692	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-75.3	-8.1	-178.4	-62.5	-59.7	-34	0	0	112.7	W224	W224-Q226 PolarHBondContact O-N 3.43Å
227	E	81.8	Confident	84.1	Confident	80 Å²	80	68.7 Å²	68.7	37%	0.374	33%	0.327	S	S	.	.	S	Bend	trans	-88.3	142.2	-177.6	-64.4	-168.1	-158.7	0	0	113	K100 W224 R225 G229 C230	K100-E227 WeakPolarHBondContact CE-OE1 3.16Å; K100-E227 WeakPolarHBondContact CE-OE2 3.35Å; K100-E227 IonicContact NZ-OE1 2.62Å; K100-E227 PolarHBondContact NZ-OE1 2.86Å; K100-E227 IonicContact NZ-OE2 2.61Å; K100-E227 PolarHBondContact NZ-OE2 3.32Å; W224-E227 PolarHBondContact O-N 2.88Å; W224-E227 VanDerWaalsContact O-N 3.14Å; R225-E227 PolarHBondContact O-N 3.32Å; E227-G229 PolarHBondContact O-N 3.47Å; E227-C230 PolarHBondContact O-N 2.82Å
228	K	73.3	Confident	84	Confident	207 Å²	207	72.8 Å²	72.8	90%	0.9	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	113.2	179.7	-68.5	-173.3	179	-177.6	0	110.1	F105	F105-K228 WeakPolarHBondContact CE1-O 3.3Å
229	G	72.1	Confident	84	Confident	28 Å²	28	79.2 Å²	79.2	29%	0.289	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	106.7	-6.9	178.6	0	0	0	0	0	114.9	F105 E227 Y231	F105-G229 VanDerWaalsContact CD1-C 3.47Å; F105-G229 WeakPolarHBondContact CD1-O 3.4Å; E227-G229 PolarHBondContact O-N 3.47Å; G229-Y231 WeakPolarHBondContact O-CD2 3.34Å; G229-Y231 PolarHBondContact O-N 2.91Å
230	C	80.1	Confident	84	Confident	8 Å²	8	76 Å²	76	5%	0.054	35%	0.352	C	S	.	.			trans	-91.5	99.2	170	-172.7	0	0	0	0	110.7	C104 E227 T232	C104-C230 WeakPolarHBondContact CA-SG 3.33Å; C104-C230 HydrophobicContact CB-CB 3.89Å; C104-C230 WeakPolarHBondContact CB-SG 3.39Å; C104-C230 PolarHBondContact O-SG 2.88Å; C104-C230 VanDerWaalsContact O-SG 3.36Å; C104-C230 WeakPolarHBondContact SG-CB 3.39Å; C104-C230 CovalentContact SG-SG 2.01Å; C104-C230 PolarHBondContact SG-SG 3.48Å; E227-C230 PolarHBondContact O-N 2.82Å; C230-T232 PolarHBondContact O-N 3.22Å
231	Y	69.8	Low	84	Confident	202 Å²	202	78.1 Å²	78.1	79%	0.792	36%	0.36	S	S	*	.			trans	-90.6	82.8	-179.9	-62	-78.6	0	0	0	110.4	G229	G229-Y231 WeakPolarHBondContact O-CD2 3.34Å; G229-Y231 PolarHBondContact O-N 2.91Å
232	T	78	Confident	84.2	Confident	18 Å²	18	82 Å²	82	11%	0.11	38%	0.379	C	S	.	.			trans	-118.3	129.2	171.7	-73.8	0	0	0	0	110.4	N221 C230	N221-T232 PolarHBondContact ND2-OG1 2.61Å; N221-T232 WeakPolarHBondContact OD1-CB 3.25Å; N221-T232 WeakPolarHBondContact OD1-CG2 3.17Å; N221-T232 PolarHBondContact OD1-OG1 2.96Å; C230-T232 PolarHBondContact O-N 3.22Å
233	T	82.1	Confident	84.5	Confident	62 Å²	62	79.4 Å²	79.4	38%	0.38	37%	0.37	S	S	.	.			trans	-89.2	152.4	172.6	68.6	0	0	0	0	111	E235 H236 F237	T233-E235 PolarHBondContact O-N 2.94Å; T233-H236 PolarHBondContact O-N 3.26Å; T233-H236 PolarHBondContact OG1-CD2 3.37Å; T233-H236 PolarHBondContact OG1-N 3.35Å; T233-H236 PolarHBondContact OG1-NE2 2.87Å; T233-F237 PolarHBondContact O-N 3.35Å
234	T	84.1	Confident	84.6	Confident	89 Å²	89	75.3 Å²	75.3	55%	0.546	35%	0.348	S	S	.	.	H	α-helix	trans	-58.8	-32.1	172.9	-54.6	0	0	0	0	111.7	F237 F238	T234-F237 PolarHBondContact O-N 3.36Å; T234-F238 WeakPolarHBondContact O-CB 3.44Å; T234-F238 PolarHBondContact O-N 2.9Å
235	E	84.7	Confident	84.7	Confident	127 Å²	127	73.8 Å²	73.8	59%	0.593	35%	0.35	S	S	*	.	H	α-helix	trans	-62.6	-42.9	176.2	-61.8	-174.7	170.8	0	0	112.2	T233 F237 F238 W239	T233-E235 PolarHBondContact O-N 2.94Å; E235-F237 VanDerWaalsContact C-N 3.31Å; E235-F237 PolarHBondContact O-N 2.62Å; E235-F238 PolarHBondContact O-N 3.39Å; E235-W239 PolarHBondContact O-N 2.82Å
236	H	84.8	Confident	85.1	Confident	13 Å²	13	72.6 Å²	72.6	6%	0.06	35%	0.35	C	S	.	.	H	α-helix	trans	-60.2	-44.3	177.5	-66.8	178.5	0	0	0	111.4	F159 N163 M165 T233 S240	F159-H236 AromaticContact CE1-CD2 3.55Å; F159-H236 AromaticContact CZ-CD2 3.49Å; F159-H236 VanDerWaalsContact CZ-CD2 3.49Å; F159-H236 WeakPolarHBondContact CZ-CD2 2.88Å; N163-H236 VanDerWaalsContact CB-NE2 3.34Å; N163-H236 WeakPolarHBondContact CB-NE2 3.17Å; M165-H236 HydrophobicContact CE-CB 3.8Å; M165-H236 HydrophobicContact SD-CB 4.32Å; T233-H236 PolarHBondContact O-N 3.26Å; T233-H236 PolarHBondContact OG1-CD2 3.37Å; T233-H236 PolarHBondContact OG1-N 3.35Å; T233-H236 PolarHBondContact OG1-NE2 2.87Å; H236-S240 WeakPolarHBondContact O-CB 3.4Å; H236-S240 PolarHBondContact O-N 3.31Å
237	F	87.7	Confident	85.7	Confident	39 Å²	39	65.8 Å²	65.8	17%	0.171	32%	0.318	C	S	.	.	H	α-helix	trans	-64.3	-47.6	177	175.1	-109.7	0	0	0	111.5	G218 I219 Y222 T233 T234 E235 W239 S240 F241	G218-F237 WeakPolarHBondContact O-CD2 3.43Å; I219-F237 HydrophobicContact CG1-CE2 4.1Å; I219-F237 HydrophobicContact CG1-CZ 4.42Å; Y222-F237 HydrophobicContact CD1-CD1 4.46Å; Y222-F237 HydrophobicContact CD1-CE1 4.35Å; Y222-F237 HydrophobicContact CD2-CB 3.85Å; Y222-F237 AromaticContact CD2-CD1 3.74Å; Y222-F237 HydrophobicContact CD2-CD1 3.74Å; Y222-F237 HydrophobicContact CD2-CD2 4.37Å; Y222-F237 HydrophobicContact CD2-CE1 4.41Å; Y222-F237 AromaticContact CD2-CG 3.71Å; Y222-F237 HydrophobicContact CD2-CG 3.71Å; Y222-F237 HydrophobicContact CE2-CD1 4.1Å; Y222-F237 HydrophobicContact CE2-CG 4.48Å; Y222-F237 HydrophobicContact CG-CB 4.38Å; Y222-F237 AromaticContact CG-CD1 3.94Å; Y222-F237 HydrophobicContact CG-CD1 3.94Å; Y222-F237 HydrophobicContact CG-CD2 4.07Å; Y222-F237 HydrophobicContact CG-CE1 4.23Å; Y222-F237 HydrophobicContact CG-CE2 4.36Å; Y222-F237 AromaticContact CG-CG 3.85Å; Y222-F237 HydrophobicContact CG-CG 3.85Å; Y222-F237 HydrophobicContact CG-CZ 4.43Å; T233-F237 PolarHBondContact O-N 3.35Å; T234-F237 PolarHBondContact O-N 3.36Å; E235-F237 VanDerWaalsContact C-N 3.31Å; E235-F237 PolarHBondContact O-N 2.62Å; F237-W239 PolarHBondContact O-N 2.81Å; F237-S240 PolarHBondContact O-N 3.1Å; F237-F241 HydrophobicContact CE2-CB 4.33Å; F237-F241 HydrophobicContact CE2-CD2 4.47Å; F237-F241 HydrophobicContact CZ-CB 4.3Å; F237-F241 HydrophobicContact CZ-CD2 4.23Å; F237-F241 HydrophobicContact CZ-CG 4.35Å; F237-F241 WeakPolarHBondContact O-CB 3.16Å; F237-F241 PolarHBondContact O-N 2.9Å
238	F	90.3	Very high	86.3	Confident	99 Å²	99	66 Å²	66	43%	0.434	32%	0.318	S	S	.	.	H	α-helix	trans	-57.3	-52.2	-179.4	176.1	-99.8	0	0	0	111.9	T234 E235 S240 F241 M242	T234-F238 WeakPolarHBondContact O-CB 3.44Å; T234-F238 PolarHBondContact O-N 2.9Å; E235-F238 PolarHBondContact O-N 3.39Å; F238-S240 PolarHBondContact O-N 2.83Å; F238-F241 PolarHBondContact O-N 2.73Å; F238-M242 HydrophobicContact CD2-CG 4.33Å; F238-M242 HydrophobicContact CE1-CG 4.17Å; F238-M242 HydrophobicContact CE2-CE 4.31Å; F238-M242 HydrophobicContact CE2-CG 3.98Å; F238-M242 HydrophobicContact CE2-SD 4.44Å; F238-M242 HydrophobicContact CZ-CG 3.89Å; F238-M242 HydrophobicContact CZ-SD 4.47Å; F238-M242 WeakPolarHBondContact O-CB 3.36Å; F238-M242 VanDerWaalsContact O-CG 3.25Å; F238-M242 WeakPolarHBondContact O-CG 3.45Å; F238-M242 PolarHBondContact O-N 2.93Å
239	W	90.1	Very high	87.3	Confident	137 Å²	137	61.6 Å²	61.6	52%	0.519	30%	0.303	S	S	.	.	H	α-helix	trans	-66.2	-39.7	-179.1	-70.3	122	0	0	0	112.7	F156 E235 F237 L243	F156-W239 HydrophobicContact CE2-CB 4.4Å; E235-W239 PolarHBondContact O-N 2.82Å; F237-W239 PolarHBondContact O-N 2.81Å; W239-L243 WeakPolarHBondContact O-CB 3.47Å; W239-L243 PolarHBondContact O-N 3.48Å
240	S	90.1	Very high	88.3	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62.5	-50.2	175.3	-176.7	0	0	0	0	111.5	F171 H236 F237 F238 M242 L243 Y244	F171-S240 WeakPolarHBondContact CZ-OG 3.08Å; H236-S240 WeakPolarHBondContact O-CB 3.4Å; H236-S240 PolarHBondContact O-N 3.31Å; F237-S240 PolarHBondContact O-N 3.1Å; F238-S240 PolarHBondContact O-N 2.83Å; S240-M242 PolarHBondContact O-N 2.83Å; S240-L243 PolarHBondContact O-N 3.15Å; S240-Y244 WeakPolarHBondContact O-CB 3.39Å; S240-Y244 WeakPolarHBondContact O-CD2 3.36Å; S240-Y244 PolarHBondContact O-N 2.95Å
241	F	91.5	Very high	88.9	Confident	85 Å²	85	62.3 Å²	62.3	37%	0.373	30%	0.299	S	S	.	.	H	α-helix	trans	-61.6	-43.5	-179.5	-176.9	-98	0	0	0	112	T215 F237 F238 G245	T215-F241 HydrophobicContact CG2-CD2 4.03Å; T215-F241 HydrophobicContact CG2-CE2 4.01Å; F237-F241 HydrophobicContact CE2-CB 4.33Å; F237-F241 HydrophobicContact CE2-CD2 4.47Å; F237-F241 HydrophobicContact CZ-CB 4.3Å; F237-F241 HydrophobicContact CZ-CD2 4.23Å; F237-F241 HydrophobicContact CZ-CG 4.35Å; F237-F241 WeakPolarHBondContact O-CB 3.16Å; F237-F241 PolarHBondContact O-N 2.9Å; F238-F241 PolarHBondContact O-N 2.73Å; F241-G245 WeakPolarHBondContact O-CA 3.39Å; F241-G245 PolarHBondContact O-N 3.31Å
242	M	92.7	Very high	90	Very high	82 Å²	82	54.4 Å²	54.4	40%	0.404	28%	0.275	S	S	.	.	H	α-helix	trans	-61.7	-46.4	175.7	-73.5	-68.7	122.6	0	0	112	F238 S240 T246	F238-M242 HydrophobicContact CD2-CG 4.33Å; F238-M242 HydrophobicContact CE1-CG 4.17Å; F238-M242 HydrophobicContact CE2-CE 4.31Å; F238-M242 HydrophobicContact CE2-CG 3.98Å; F238-M242 HydrophobicContact CE2-SD 4.44Å; F238-M242 HydrophobicContact CZ-CG 3.89Å; F238-M242 HydrophobicContact CZ-SD 4.47Å; F238-M242 WeakPolarHBondContact O-CB 3.36Å; F238-M242 VanDerWaalsContact O-CG 3.25Å; F238-M242 WeakPolarHBondContact O-CG 3.45Å; F238-M242 PolarHBondContact O-N 2.93Å; S240-M242 PolarHBondContact O-N 2.83Å; M242-T246 WeakPolarHBondContact O-CB 3.47Å; M242-T246 VanDerWaalsContact O-CG2 3.25Å; M242-T246 WeakPolarHBondContact O-CG2 3.38Å; M242-T246 PolarHBondContact O-N 2.99Å; M242-T246 PolarHBondContact O-OG1 2.98Å
243	L	93.5	Very high	90.7	Very high	17 Å²	17	58.2 Å²	58.2	9%	0.089	29%	0.292	C	S	.	.	H	α-helix	trans	-63.9	-54.1	-179.8	-171.1	79.4	0	0	0	111.6	F156 W239 S240 G245 T246 Y247	F156-L243 HydrophobicContact CB-CD2 3.57Å; F156-L243 HydrophobicContact CD1-CD2 3.41Å; F156-L243 VanDerWaalsContact CD1-CD2 3.41Å; F156-L243 HydrophobicContact CD2-CD2 4.08Å; F156-L243 HydrophobicContact CE1-CD2 4.07Å; F156-L243 HydrophobicContact CG-CD2 3.41Å; F156-L243 VanDerWaalsContact CG-CD2 3.41Å; W239-L243 WeakPolarHBondContact O-CB 3.47Å; W239-L243 PolarHBondContact O-N 3.48Å; S240-L243 PolarHBondContact O-N 3.15Å; L243-G245 VanDerWaalsContact C-N 3.33Å; L243-G245 PolarHBondContact O-N 3.36Å; L243-T246 PolarHBondContact O-N 3.12Å; L243-T246 PolarHBondContact O-OG1 3.5Å; L243-Y247 HydrophobicContact CD1-CE1 3.79Å; L243-Y247 HydrophobicContact CD1-CE2 4.18Å; L243-Y247 HydrophobicContact CD2-CE2 4.11Å; L243-Y247 HydrophobicContact CG-CD2 4.34Å; L243-Y247 HydrophobicContact CG-CE1 4.2Å; L243-Y247 HydrophobicContact CG-CE2 3.92Å; L243-Y247 WeakPolarHBondContact O-CB 3.25Å; L243-Y247 WeakPolarHBondContact O-CD1 3.44Å; L243-Y247 PolarHBondContact O-N 3.04Å
244	Y	92	Very high	91.2	Very high	14 Å²	14	58.6 Å²	58.6	6%	0.055	29%	0.288	C	S	.	.	H	α-helix	trans	-65.7	-36.5	-177.5	-84.3	-84	0	0	0	112.3	F156 F171 M211 S240 F248	F156-Y244 HydrophobicContact CE1-CE2 4.07Å; F171-Y244 WeakPolarHBondContact CB-OH 3.35Å; F171-Y244 HydrophobicContact CD1-CE2 4.01Å; F171-Y244 AromaticContact CD1-CZ 3.72Å; F171-Y244 WeakPolarHBondContact CD1-OH 3.13Å; F171-Y244 HydrophobicContact CD2-CE2 4.22Å; F171-Y244 AromaticContact CE1-CE2 3.93Å; F171-Y244 HydrophobicContact CE1-CE2 3.93Å; F171-Y244 HydrophobicContact CE2-CE2 4.14Å; F171-Y244 HydrophobicContact CG-CE2 4.16Å; F171-Y244 VanDerWaalsContact CG-OH 3.23Å; F171-Y244 WeakPolarHBondContact CG-OH 3.34Å; F171-Y244 AromaticContact CZ-CE2 4Å; F171-Y244 HydrophobicContact CZ-CE2 4Å; M211-Y244 HydrophobicContact CB-CD1 4.4Å; M211-Y244 HydrophobicContact SD-CD1 3.7Å; M211-Y244 HydrophobicContact SD-CE1 3.92Å; S240-Y244 WeakPolarHBondContact O-CB 3.39Å; S240-Y244 WeakPolarHBondContact O-CD2 3.36Å; S240-Y244 PolarHBondContact O-N 2.95Å; Y244-F248 WeakPolarHBondContact O-CB 3.42Å; Y244-F248 PolarHBondContact O-N 2.89Å
245	G	92.3	Very high	91.5	Very high	23 Å²	23	56 Å²	56	24%	0.237	27%	0.269	C	S	.	.	H	α-helix	trans	-64.7	-48.4	173.9	0	0	0	0	0	112.6	F241 L243 Y247 F248 I249	F241-G245 WeakPolarHBondContact O-CA 3.39Å; F241-G245 PolarHBondContact O-N 3.31Å; L243-G245 VanDerWaalsContact C-N 3.33Å; L243-G245 PolarHBondContact O-N 3.36Å; G245-Y247 VanDerWaalsContact C-N 3.33Å; G245-Y247 PolarHBondContact O-N 3.32Å; G245-F248 PolarHBondContact O-N 2.88Å; G245-I249 WeakPolarHBondContact O-CG1 3.46Å; G245-I249 PolarHBondContact O-N 2.81Å; G245-I249 VanDerWaalsContact O-N 3.13Å
246	T	94.7	Very high	91.9	Very high	46 Å²	46	54.7 Å²	54.7	28%	0.282	26%	0.263	S	S	.	.	H	α-helix	trans	-63.3	-39.4	177.2	56.3	0	0	0	0	111.7	Y148 M242 L243 I249 L250	Y148-T246 PolarHBondContact OH-OG1 3.2Å; Y148-T246 VanDerWaalsContact OH-OG1 3.13Å; M242-T246 WeakPolarHBondContact O-CB 3.47Å; M242-T246 VanDerWaalsContact O-CG2 3.25Å; M242-T246 WeakPolarHBondContact O-CG2 3.38Å; M242-T246 PolarHBondContact O-N 2.99Å; M242-T246 PolarHBondContact O-OG1 2.98Å; L243-T246 PolarHBondContact O-N 3.12Å; L243-T246 PolarHBondContact O-OG1 3.5Å; T246-I249 PolarHBondContact O-N 3.02Å; T246-L250 WeakPolarHBondContact O-CB 3.22Å; T246-L250 VanDerWaalsContact O-CG 3.26Å; T246-L250 WeakPolarHBondContact O-CG 3.02Å; T246-L250 PolarHBondContact O-N 3.42Å
247	Y	94.3	Very high	92.1	Very high	6 Å²	6	58.6 Å²	58.6	2%	0.024	28%	0.281	C	S	.	.	H	α-helix	trans	-64.7	-44.4	175.6	-73.5	4.7	0	0	0	112.3	Y148 H149 T152 V153 M211 L243 G245 I249 L250 F251	Y148-Y247 HydrophobicContact CD1-CD1 4.45Å; Y148-Y247 HydrophobicContact CD1-CE1 4.05Å; Y148-Y247 AromaticContact CE1-CD1 3.96Å; Y148-Y247 HydrophobicContact CE1-CD1 3.96Å; Y148-Y247 AromaticContact CE1-CE1 3.69Å; Y148-Y247 HydrophobicContact CE1-CE1 3.69Å; H149-Y247 HydrophobicContact CB-CE1 4.45Å; H149-Y247 AromaticContact CD2-CD2 3.98Å; H149-Y247 AromaticContact CD2-CE2 3.39Å; H149-Y247 WeakPolarHBondContact CD2-CE2 3.48Å; H149-Y247 AromaticContact CD2-CZ 3.53Å; H149-Y247 AromaticContact NE2-CE2 3.93Å; H149-Y247 PolarHBondContact O-OH 3.24Å; T152-Y247 WeakPolarHBondContact OG1-CE1 3.42Å; T152-Y247 PolarHBondContact OG1-OH 3.33Å; V153-Y247 PolarHBondContact N-OH 2.87Å; V153-Y247 VanDerWaalsContact N-OH 3.15Å; M211-Y247 HydrophobicContact CE-CD2 4.15Å; M211-Y247 VanDerWaalsContact SD-CB 3.59Å; M211-Y247 HydrophobicContact SD-CD2 3.75Å; M211-Y247 HydrophobicContact SD-CG 4.21Å; L243-Y247 HydrophobicContact CD1-CE1 3.79Å; L243-Y247 HydrophobicContact CD1-CE2 4.18Å; L243-Y247 HydrophobicContact CD2-CE2 4.11Å; L243-Y247 HydrophobicContact CG-CD2 4.34Å; L243-Y247 HydrophobicContact CG-CE1 4.2Å; L243-Y247 HydrophobicContact CG-CE2 3.92Å; L243-Y247 WeakPolarHBondContact O-CB 3.25Å; L243-Y247 WeakPolarHBondContact O-CD1 3.44Å; L243-Y247 PolarHBondContact O-N 3.04Å; G245-Y247 VanDerWaalsContact C-N 3.33Å; G245-Y247 PolarHBondContact O-N 3.32Å; Y247-I249 VanDerWaalsContact C-N 3.3Å; Y247-I249 PolarHBondContact O-N 2.73Å; Y247-L250 PolarHBondContact O-N 3.3Å; Y247-F251 WeakPolarHBondContact O-CB 3.25Å; Y247-F251 WeakPolarHBondContact O-CD2 2.92Å; Y247-F251 PolarHBondContact O-N 3.42Å
248	F	94.3	Very high	92.1	Very high	85 Å²	85	58.9 Å²	58.9	37%	0.373	29%	0.291	S	S	.	.	H	α-helix	trans	-54.6	-48.8	175.9	176.2	-97.9	0	0	0	111.2	I208 M211 V212 Y244 G245 L250 A252	I208-F248 HydrophobicContact CG2-CD2 4.03Å; I208-F248 HydrophobicContact CG2-CE2 3.79Å; M211-F248 HydrophobicContact CB-CB 3.97Å; M211-F248 HydrophobicContact CB-CD2 4.42Å; V212-F248 HydrophobicContact CG2-CD2 3.95Å; V212-F248 HydrophobicContact CG2-CE2 3.75Å; Y244-F248 WeakPolarHBondContact O-CB 3.42Å; Y244-F248 PolarHBondContact O-N 2.89Å; G245-F248 PolarHBondContact O-N 2.88Å; F248-L250 PolarHBondContact O-N 3.39Å; F248-A252 WeakPolarHBondContact O-CB 3.17Å; F248-A252 PolarHBondContact O-N 2.94Å
249	I	94.5	Very high	92.1	Very high	113 Å²	113	57.6 Å²	57.6	58%	0.579	28%	0.283	S	S	*	.	H	α-helix	trans	-60.6	-48.2	178.9	-65.3	166.4	0	0	0	110.9	G245 T246 Y247 H253	G245-I249 WeakPolarHBondContact O-CG1 3.46Å; G245-I249 PolarHBondContact O-N 2.81Å; G245-I249 VanDerWaalsContact O-N 3.13Å; T246-I249 PolarHBondContact O-N 3.02Å; Y247-I249 VanDerWaalsContact C-N 3.3Å; Y247-I249 PolarHBondContact O-N 2.73Å; I249-H253 WeakPolarHBondContact O-CB 3.46Å; I249-H253 PolarHBondContact O-N 3.24Å
250	L	93.3	Very high	92.1	Very high	31 Å²	31	56.3 Å²	56.3	16%	0.162	29%	0.286	C	S	.	.	H	α-helix	trans	-64.8	-43.4	-177.4	-71.3	172.7	0	0	0	112.6	F144 V145 Y148 T246 Y247 F248 F254	F144-L250 HydrophobicContact CD1-CD2 4.08Å; F144-L250 HydrophobicContact CE1-CD1 4.17Å; F144-L250 HydrophobicContact CE1-CD2 3.91Å; V145-L250 HydrophobicContact CG1-CB 4.33Å; V145-L250 HydrophobicContact CG2-CB 4.17Å; V145-L250 HydrophobicContact CG2-CD2 4.34Å; Y148-L250 HydrophobicContact CD1-CD1 3.45Å; Y148-L250 VanDerWaalsContact CD1-CD1 3.45Å; Y148-L250 HydrophobicContact CE1-CD1 3.56Å; Y148-L250 HydrophobicContact CG-CD1 4.41Å; T246-L250 WeakPolarHBondContact O-CB 3.22Å; T246-L250 VanDerWaalsContact O-CG 3.26Å; T246-L250 WeakPolarHBondContact O-CG 3.02Å; T246-L250 PolarHBondContact O-N 3.42Å; Y247-L250 PolarHBondContact O-N 3.3Å; F248-L250 PolarHBondContact O-N 3.39Å; L250-F254 WeakPolarHBondContact O-CB 3.07Å; L250-F254 PolarHBondContact O-N 3.13Å
251	F	91.7	Very high	91.8	Very high	21 Å²	21	63.8 Å²	63.8	9%	0.092	31%	0.314	C	S	.	.	H	α-helix	trans	-73.5	-37.4	178.8	-84.9	-90.1	0	0	0	112.3	V145 T204 Q207 I208 Y247 H253 F254 F255	V145-F251 HydrophobicContact CG1-CD2 4.37Å; V145-F251 HydrophobicContact CG1-CE2 4.01Å; V145-F251 HydrophobicContact CG1-CZ 4.23Å; T204-F251 HydrophobicContact CG2-CD1 4.4Å; Q207-F251 HydrophobicContact CB-CD1 4.08Å; Q207-F251 HydrophobicContact CB-CE1 4.12Å; Q207-F251 HydrophobicContact CG-CE1 4.36Å; I208-F251 HydrophobicContact CG1-CB 3.84Å; Y247-F251 WeakPolarHBondContact O-CB 3.25Å; Y247-F251 WeakPolarHBondContact O-CD2 2.92Å; Y247-F251 PolarHBondContact O-N 3.42Å; F251-H253 VanDerWaalsContact C-N 3.35Å; F251-F254 PolarHBondContact O-N 2.82Å; F251-F255 VanDerWaalsContact O-CB 3.31Å; F251-F255 WeakPolarHBondContact O-CB 3.36Å; F251-F255 PolarHBondContact O-N 3.09Å
252	A	92.9	Very high	90.7	Very high	35 Å²	35	65.1 Å²	65.1	29%	0.289	33%	0.331	S	S	.	.	H	α-helix	trans	-63	-43.7	173.3	0	0	0	0	0	111	F248 F255 H256	F248-A252 WeakPolarHBondContact O-CB 3.17Å; F248-A252 PolarHBondContact O-N 2.94Å; A252-F255 PolarHBondContact O-N 3.46Å; A252-H256 WeakPolarHBondContact O-CB 3.4Å; A252-H256 PolarHBondContact O-N 2.97Å
253	H	93.5	Very high	89.3	Confident	99 Å²	99	70.8 Å²	70.8	46%	0.458	35%	0.354	S	S	.	.	H	α-helix	trans	-62.2	-45	174.2	176.3	-102.8	0	0	0	111.8	I249 F251 F255 H256 Q257	I249-H253 WeakPolarHBondContact O-CB 3.46Å; I249-H253 PolarHBondContact O-N 3.24Å; F251-H253 VanDerWaalsContact C-N 3.35Å; H253-F255 PolarHBondContact O-N 2.91Å; H253-H256 PolarHBondContact O-N 3.04Å; H253-Q257 PolarHBondContact CE1-NE2 2.97Å; H253-Q257 PolarHBondContact NE2-NE2 2.97Å; H253-Q257 WeakPolarHBondContact O-CG 3.47Å; H253-Q257 PolarHBondContact O-N 2.86Å
254	F	91.4	Very high	87.3	Confident	69 Å²	69	73.1 Å²	73.1	30%	0.303	38%	0.382	S	S	.	.	H	α-helix	trans	-59.2	-45.9	174.2	174.1	-98.1	0	0	0	111.9	I143 T204 L250 F251 H256 Q257 A258	I143-F254 HydrophobicContact CD1-CE2 4.34Å; T204-F254 HydrophobicContact CG2-CD1 3.87Å; T204-F254 HydrophobicContact CG2-CE1 4.12Å; L250-F254 WeakPolarHBondContact O-CB 3.07Å; L250-F254 PolarHBondContact O-N 3.13Å; F251-F254 PolarHBondContact O-N 2.82Å; F254-H256 PolarHBondContact O-N 3.36Å; F254-Q257 PolarHBondContact O-N 2.83Å; F254-A258 HydrophobicContact CE1-CB 4.37Å; F254-A258 HydrophobicContact CZ-CB 4.32Å; F254-A258 VanDerWaalsContact O-CB 3.24Å; F254-A258 WeakPolarHBondContact O-CB 3.21Å; F254-A258 PolarHBondContact O-N 3.32Å
255	F	91.8	Very high	84.9	Confident	36 Å²	36	82.2 Å²	82.2	16%	0.158	42%	0.422	C	S	.	.	H	α-helix	trans	-60.9	-46.4	178.7	-172.8	-82	0	0	0	111.5	M201 T204 S205 I208 F251 A252 H253 Q257 A258 Y259 L260	M201-F255 HydrophobicContact CG-CE2 3.74Å; M201-F255 HydrophobicContact CG-CZ 3.91Å; M201-F255 HydrophobicContact SD-CZ 4.45Å; T204-F255 HydrophobicContact CG2-CB 4.16Å; T204-F255 HydrophobicContact CG2-CD2 3.74Å; T204-F255 HydrophobicContact CG2-CG 4.46Å; S205-F255 WeakPolarHBondContact OG-CE2 3.36Å; I208-F255 HydrophobicContact CD1-CB 3.83Å; I208-F255 HydrophobicContact CD1-CD2 4.08Å; I208-F255 HydrophobicContact CD1-CG 4.07Å; F251-F255 VanDerWaalsContact O-CB 3.31Å; F251-F255 WeakPolarHBondContact O-CB 3.36Å; F251-F255 PolarHBondContact O-N 3.09Å; A252-F255 PolarHBondContact O-N 3.46Å; H253-F255 PolarHBondContact O-N 2.91Å; F255-Q257 VanDerWaalsContact C-N 3.35Å; F255-Q257 PolarHBondContact O-N 3.42Å; F255-A258 PolarHBondContact O-N 2.75Å; F255-Y259 HydrophobicContact CB-CD2 4.42Å; F255-Y259 HydrophobicContact CD1-CD2 4.3Å; F255-Y259 AromaticContact CD2-CD2 3.53Å; F255-Y259 HydrophobicContact CD2-CD2 3.53Å; F255-Y259 AromaticContact CD2-CE2 3.92Å; F255-Y259 HydrophobicContact CD2-CE2 3.92Å; F255-Y259 HydrophobicContact CE1-CD2 4.44Å; F255-Y259 AromaticContact CE2-CD2 3.71Å; F255-Y259 HydrophobicContact CE2-CD2 3.71Å; F255-Y259 HydrophobicContact CE2-CE2 4.19Å; F255-Y259 HydrophobicContact CE2-CG 4.49Å; F255-Y259 AromaticContact CG-CD2 3.84Å; F255-Y259 HydrophobicContact CG-CD2 3.84Å; F255-Y259 HydrophobicContact CZ-CD2 4.17Å; F255-Y259 WeakPolarHBondContact O-CB 3.2Å; F255-Y259 WeakPolarHBondContact O-CD2 3.41Å; F255-Y259 PolarHBondContact O-N 3.4Å; F255-L260 HydrophobicContact CD1-CD1 4.11Å; F255-L260 HydrophobicContact CD1-CG 4.19Å; F255-L260 HydrophobicContact CE1-CD1 4.1Å; F255-L260 HydrophobicContact CE1-CD2 4.24Å; F255-L260 HydrophobicContact CE1-CG 4.01Å
256	H	92.4	Very high	82.5	Confident	98 Å²	98	85.4 Å²	85.4	45%	0.454	45%	0.446	S	S	.	.	I	π-helix	trans	-58.7	-46.8	176.4	178.3	-99	0	0	0	111.3	A252 H253 F254 L260 R261	A252-H256 WeakPolarHBondContact O-CB 3.4Å; A252-H256 PolarHBondContact O-N 2.97Å; H253-H256 PolarHBondContact O-N 3.04Å; F254-H256 PolarHBondContact O-N 3.36Å; H256-L260 PolarHBondContact O-N 2.98Å; H256-R261 WeakPolarHBondContact O-CB 3.47Å; H256-R261 PolarHBondContact O-N 3.06Å
257	Q	89.9	Confident	79.6	Confident	95 Å²	95	92.6 Å²	92.6	44%	0.444	47%	0.473	S	S	.	.	I	π-helix	trans	-67.1	-37.9	178.7	-70.5	-166.9	-7.6	0	0	113.8	H253 F254 F255	H253-Q257 PolarHBondContact CE1-NE2 2.97Å; H253-Q257 PolarHBondContact NE2-NE2 2.97Å; H253-Q257 WeakPolarHBondContact O-CG 3.47Å; H253-Q257 PolarHBondContact O-N 2.86Å; F254-Q257 PolarHBondContact O-N 2.83Å; F255-Q257 VanDerWaalsContact C-N 3.35Å; F255-Q257 PolarHBondContact O-N 3.42Å
258	A	87.7	Confident	76.9	Confident	45 Å²	45	98 Å²	98	37%	0.372	51%	0.509	S	S	.	.	I	π-helix	trans	-81.8	-32.8	-173.9	0	0	0	0	0	113.5	F254 F255	F254-A258 HydrophobicContact CE1-CB 4.37Å; F254-A258 HydrophobicContact CZ-CB 4.32Å; F254-A258 VanDerWaalsContact O-CB 3.24Å; F254-A258 WeakPolarHBondContact O-CB 3.21Å; F254-A258 PolarHBondContact O-N 3.32Å; F255-A258 PolarHBondContact O-N 2.75Å
259	Y	90.1	Very high	74.2	Confident	72 Å²	72	103.8 Å²	103.8	28%	0.282	53%	0.534	S	S	.	.	I	π-helix	trans	-124.4	-34.2	-167	-58.1	-62.3	0	0	0	115.1	P200 M201 T204 F255	P200-Y259 VanDerWaalsContact C-OH 3.31Å; P200-Y259 WeakPolarHBondContact CB-OH 3.42Å; P200-Y259 PolarHBondContact O-OH 3.07Å; M201-Y259 HydrophobicContact CB-CD1 4.33Å; M201-Y259 HydrophobicContact CB-CE1 4.05Å; M201-Y259 HydrophobicContact CE-CD1 3.69Å; M201-Y259 HydrophobicContact CE-CE1 4.44Å; M201-Y259 HydrophobicContact CE-CG 3.94Å; M201-Y259 HydrophobicContact CG-CD1 4.41Å; M201-Y259 HydrophobicContact CG-CD2 4.42Å; M201-Y259 HydrophobicContact CG-CG 4.34Å; T204-Y259 HydrophobicContact CG2-CE2 4.36Å; F255-Y259 HydrophobicContact CB-CD2 4.42Å; F255-Y259 HydrophobicContact CD1-CD2 4.3Å; F255-Y259 AromaticContact CD2-CD2 3.53Å; F255-Y259 HydrophobicContact CD2-CD2 3.53Å; F255-Y259 AromaticContact CD2-CE2 3.92Å; F255-Y259 HydrophobicContact CD2-CE2 3.92Å; F255-Y259 HydrophobicContact CE1-CD2 4.44Å; F255-Y259 AromaticContact CE2-CD2 3.71Å; F255-Y259 HydrophobicContact CE2-CD2 3.71Å; F255-Y259 HydrophobicContact CE2-CE2 4.19Å; F255-Y259 HydrophobicContact CE2-CG 4.49Å; F255-Y259 AromaticContact CG-CD2 3.84Å; F255-Y259 HydrophobicContact CG-CD2 3.84Å; F255-Y259 HydrophobicContact CZ-CD2 4.17Å; F255-Y259 WeakPolarHBondContact O-CB 3.2Å; F255-Y259 WeakPolarHBondContact O-CD2 3.41Å; F255-Y259 PolarHBondContact O-N 3.4Å
260	L	88.9	Confident	71.8	Confident	110 Å²	110	103.9 Å²	103.9	58%	0.576	55%	0.545	S	S	*	.	I	π-helix	trans	-98.3	-32.4	-174.5	-59.1	179.7	0	0	0	112.5	F255 H256 P262	F255-L260 HydrophobicContact CD1-CD1 4.11Å; F255-L260 HydrophobicContact CD1-CG 4.19Å; F255-L260 HydrophobicContact CE1-CD1 4.1Å; F255-L260 HydrophobicContact CE1-CD2 4.24Å; F255-L260 HydrophobicContact CE1-CG 4.01Å; H256-L260 PolarHBondContact O-N 2.98Å; L260-P262 WeakPolarHBondContact O-CD 3.41Å
261	R	85.2	Confident	69	Low	158 Å²	158	114.8 Å²	114.8	60%	0.596	60%	0.595	S	S	*	*	S	Bend	trans	-66.4	124.2	179.1	-163.5	172.4	-174.8	172.9	2.4	108.9	H256 K263	H256-R261 WeakPolarHBondContact O-CB 3.47Å; H256-R261 PolarHBondContact O-N 3.06Å; R261-K263 PolarHBondContact O-N 2.97Å
262	P	67.2	Low	67.9	Low	112 Å²	112	119.5 Å²	119.5	73%	0.727	62%	0.621	S	S	*	*			trans	-56.8	128.7	175.4	-18.3	27.6	0	0	0	108.8	L260 G264	L260-P262 WeakPolarHBondContact O-CD 3.41Å; P262-G264 VanDerWaalsContact C-N 3.27Å; P262-G264 PolarHBondContact O-N 3.48Å
263	K	64.1	Low	66.6	Low	201 Å²	201	123.9 Å²	123.9	87%	0.874	64%	0.638	S	S	*	*			trans	-63.6	97.8	166.4	-70	-177.1	-177.5	175.6	0	106.2	R261 K265	R261-K263 PolarHBondContact O-N 2.97Å; K263-K265 PolarHBondContact O-N 3.5Å
264	G	51.3	Low	65.1	Low	66 Å²	66	125.3 Å²	125.3	68%	0.68	65%	0.648	S	S	*	*			trans	-49.6	129.3	177.7	0	0	0	0	0	108.7	P262 A266	P262-G264 VanDerWaalsContact C-N 3.27Å; P262-G264 PolarHBondContact O-N 3.48Å; G264-A266 PolarHBondContact O-N 3.21Å
265	K	41.3	Very low	63.5	Low	205 Å²	205	128.6 Å²	128.6	89%	0.891	67%	0.668	S	S	*	*			trans	-43.3	118.7	172	-71.1	178.7	176.8	179.1	0	107.3	K263 K267	K263-K265 PolarHBondContact O-N 3.5Å; K265-K267 PolarHBondContact O-N 3.02Å
266	A	41.2	Very low	61.8	Low	91 Å²	91	134.4 Å²	134.4	75%	0.752	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-50.6	118.7	171.7	0	0	0	0	0	106.9	G264 P268	G264-A266 PolarHBondContact O-N 3.21Å; A266-P268 WeakPolarHBondContact O-CD 3.42Å; A266-P268 VanDerWaalsContact O-N 3.13Å
267	K	35.3	Very low	59.7	Low	196 Å²	196	136.9 Å²	136.9	85%	0.852	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-53.3	122.4	169.2	-103.6	-178.5	173.2	-178.2	0	105.9	K265 K269	K265-K267 PolarHBondContact O-N 3.02Å; K267-K269 PolarHBondContact O-N 2.99Å
268	P	38	Very low	57.6	Low	120 Å²	120	139.9 Å²	139.9	78%	0.779	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-56.4	128.2	168.9	21.8	-26.5	0	0	0	106.2	A266 S270	A266-P268 WeakPolarHBondContact O-CD 3.42Å; A266-P268 VanDerWaalsContact O-N 3.13Å; P268-S270 PolarHBondContact O-N 3.5Å
269	K	37.6	Very low	55.2	Low	206 Å²	206	147.2 Å²	147.2	90%	0.896	76%	0.764	S	S	*	*			trans	-52.6	115.8	169.6	-76.4	-178.9	172.8	-176.4	0	106.4	K267 Q271	K267-K269 PolarHBondContact O-N 2.99Å; K269-Q271 PolarHBondContact O-N 3.44Å
270	S	42.8	Very low	52.3	Low	116 Å²	116	153.4 Å²	153.4	81%	0.811	80%	0.804	S	S	*	*			trans	-56.6	135.3	162.7	-179	0	0	0	0	107.1	P268	P268-S270 PolarHBondContact O-N 3.5Å
271	Q	35.2	Very low	49	Very low	260 Å²	260	157.4 Å²	157.4	100%	1.215	83%	0.825	S	S	*	*			trans	-46.8	0	175.7	-74.9	169.5	-47.5	0	0	112.6	K269	K269-Q271 PolarHBondContact O-N 3.44Å

Retrieved 271 of 271 residues in 63.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).