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Sugar phosphate phosphatase

Metal-dependent phosphatase that shows phosphatase activity against several substrates, including fructose-1-phosphate and fructose-6-phosphate. Its preference for fructose-1-phosphate, a strong glycating agent that causes DNA damage rather than a canonical yeast metabolite, suggests a damage-control function in hexose phosphate metabolism. Has also been shown to have O-methyltransferase activity that methylates glutamate residues of target proteins to form gamma-glutamyl methyl ester residues. Possibly methylates PCNA, suggesting it is involved in the DNA damage response.

AlphaFold DB , UniProt , Accession A0A060XEH8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene armt1, Length 452 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.3	Very low	44.4	Very low	214 Å²	214	119.4 Å²	119.4	100%	1.054	64%	0.637	S	S	*	*				0	-41.7	0	-77.8	-167	-90.5	0	0	113.2	N4 Q5	M1-N4 PolarHBondContact O-N 3.08Å; M1-Q5 PolarHBondContact O-N 3.01Å
2	A	29.8	Very low	48.6	Very low	76 Å²	76	111.8 Å²	111.8	63%	0.628	60%	0.599	S	S	*	*	H	α-helix	trans	-65.7	-36.7	176.8	0	0	0	0	0	114.9	N4 Q5 A6	A2-N4 VanDerWaalsContact C-N 3.3Å; A2-N4 PolarHBondContact O-N 3.25Å; A2-Q5 PolarHBondContact O-N 3.46Å; A2-Q5 VanDerWaalsContact O-N 3.14Å; A2-A6 PolarHBondContact O-N 3.37Å
3	A	29.3	Very low	52.2	Low	74 Å²	74	109.4 Å²	109.4	61%	0.612	59%	0.594	S	S	*	*	H	α-helix	trans	-64.5	-31.5	176.8	0	0	0	0	0	113.5	Q5 L7	A3-Q5 VanDerWaalsContact C-N 3.33Å; A3-L7 PolarHBondContact O-N 3.14Å
4	N	34.3	Very low	55.3	Low	117 Å²	117	103.1 Å²	103.1	63%	0.626	56%	0.562	S	S	*	*	H	α-helix	trans	-78.2	-17.7	176.5	-117.7	-4.4	0	0	0	112.8	M1 A2 R8	M1-N4 PolarHBondContact O-N 3.08Å; A2-N4 VanDerWaalsContact C-N 3.3Å; A2-N4 PolarHBondContact O-N 3.25Å; N4-R8 WeakPolarHBondContact O-CG 3.22Å
5	Q	30	Very low	58	Low	138 Å²	138	97.3 Å²	97.3	65%	0.645	53%	0.53	S	S	*	.	H	α-helix	trans	-86.1	-33.3	171.5	-102.4	173.6	-23.4	0	0	112.1	M1 A2 A3 R8	M1-Q5 PolarHBondContact O-N 3.01Å; A2-Q5 PolarHBondContact O-N 3.46Å; A2-Q5 VanDerWaalsContact O-N 3.14Å; A3-Q5 VanDerWaalsContact C-N 3.33Å; Q5-R8 PolarHBondContact O-N 3.22Å
6	A	31.7	Very low	60.4	Low	54 Å²	54	92.1 Å²	92.1	45%	0.446	50%	0.503	S	S	.	.	H	α-helix	trans	-68.4	-38.1	175.5	0	0	0	0	0	112.8	A2 R8 Q9	A2-A6 PolarHBondContact O-N 3.37Å; A6-R8 VanDerWaalsContact C-N 3.31Å; A6-R8 PolarHBondContact O-N 3.36Å; A6-Q9 PolarHBondContact O-N 3.07Å
7	L	38.7	Very low	62.5	Low	115 Å²	115	86.8 Å²	86.8	60%	0.602	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-67.5	-28.3	173.9	-91	153.4	0	0	0	113.3	A3 Q9 L10	A3-L7 PolarHBondContact O-N 3.14Å; L7-Q9 PolarHBondContact O-N 3.15Å; L7-L10 PolarHBondContact O-N 3.45Å
8	R	41.8	Very low	64.2	Low	200 Å²	200	88.6 Å²	88.6	76%	0.755	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-69.5	-15	174.3	-77.2	178	-179.1	-170.5	-0.1	113.4	N4 Q5 A6 L10	N4-R8 WeakPolarHBondContact O-CG 3.22Å; Q5-R8 PolarHBondContact O-N 3.22Å; A6-R8 VanDerWaalsContact C-N 3.31Å; A6-R8 PolarHBondContact O-N 3.36Å; R8-L10 VanDerWaalsContact C-N 3.32Å
9	Q	46.1	Very low	65.6	Low	178 Å²	178	88.1 Å²	88.1	83%	0.832	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-83.2	-3	173.2	-73.3	-175.7	-23.8	0	0	113.7	A6 L7	A6-Q9 PolarHBondContact O-N 3.07Å; L7-Q9 PolarHBondContact O-N 3.15Å
10	L	74.7	Confident	67	Low	98 Å²	98	91.4 Å²	91.4	51%	0.513	49%	0.489	S	S	.	.	S	Bend	trans	-102.3	-11.7	-176.8	-91.1	128.9	0	0	0	115.4	L7 R8 W387	L7-L10 PolarHBondContact O-N 3.45Å; R8-L10 VanDerWaalsContact C-N 3.32Å; L10-W387 WeakPolarHBondContact O-CZ3 3.07Å
11	V	90.9	Very high	68	Low	49 Å²	49	89.6 Å²	89.6	30%	0.297	49%	0.493	S	S	.	.	S	Bend	trans	-109.6	117	-179.6	-177	0	0	0	0	109.5	R385 W387	V11-R385 HydrophobicContact CG1-CG 4.41Å; V11-W387 HydrophobicContact CG1-CZ2 4.44Å
12	P	95.3	Very high	70.4	Confident	28 Å²	28	80.7 Å²	80.7	18%	0.182	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-61.8	160.6	177.9	-22.5	32.6	0	0	0	113.1	R385 E386 W387	P12-R385 HydrophobicContact CB-CB 4.26Å; P12-R385 PolarHBondContact O-NH1 3.4Å; P12-R385 VanDerWaalsContact O-NH1 3.15Å; P12-E386 HydrophobicContact CB-CB 4.23Å; P12-E386 VanDerWaalsContact CB-O 3.25Å; P12-E386 WeakPolarHBondContact CB-O 3.43Å; P12-W387 HydrophobicContact CG-CD2 3.81Å; P12-W387 HydrophobicContact CG-CE3 3.45Å; P12-W387 VanDerWaalsContact CG-CE3 3.45Å; P12-W387 HydrophobicContact CG-CG 4.36Å; P12-W387 HydrophobicContact CG-CZ3 3.84Å
13	P	94.6	Very high	73.4	Confident	81 Å²	81	78 Å²	78	53%	0.526	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-60.3	154.4	172.8	28.4	-35.8	0	0	0	111.1	R385 E386	P13-R385 WeakPolarHBondContact O-CA 3.16Å; P13-E386 HydrophobicContact CG-CB 4.37Å; P13-E386 HydrophobicContact CG-CG 4.46Å; P13-E386 WeakPolarHBondContact CG-OE2 3.46Å; P13-E386 PolarHBondContact O-N 3.35Å
14	S	95.9	Very high	76.6	Confident	22 Å²	22	74.6 Å²	74.6	15%	0.154	40%	0.397	C	S	.	.	B	Isolated β-bridge	trans	-67.5	143.5	171.3	-58.4	0	0	0	0	110.7	S16 D384 R385	S14-S16 PolarHBondContact O-N 2.7Å; S14-D384 WeakPolarHBondContact CA-O 3.33Å; S14-R385 WeakPolarHBondContact OG-CD 3.42Å; S14-R385 VanDerWaalsContact OG-CZ 3.27Å; S14-R385 PolarHBondContact OG-NE 3.19Å; S14-R385 PolarHBondContact OG-NH1 3.22Å
15	L	96.5	Very high	79.6	Confident	15 Å²	15	70.7 Å²	70.7	8%	0.079	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-54.2	138.2	162.6	-65	174.3	0	0	0	108.6	W119 D384 E386 I415	L15-W119 HydrophobicContact CB-CB 4.45Å; L15-W119 HydrophobicContact CB-CE3 4.11Å; L15-W119 HydrophobicContact CD1-CE3 4.12Å; L15-W119 HydrophobicContact CD1-CZ3 4.22Å; L15-W119 WeakPolarHBondContact O-CB 3.31Å; L15-W119 PolarHBondContact O-N 3.02Å; L15-D384 PolarHBondContact N-O 2.98Å; L15-E386 HydrophobicContact CD2-CG 3.6Å; L15-E386 HydrophobicContact CG-CG 4.41Å; L15-I415 HydrophobicContact CD1-CB 4.16Å; L15-I415 HydrophobicContact CD1-CG2 4.27Å
16	S	95.6	Very high	82.7	Confident	14 Å²	14	67.1 Å²	67.1	10%	0.098	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-152.6	160.5	-179.4	65.3	0	0	0	0	110.7	S14 K18 S117	S14-S16 PolarHBondContact O-N 2.7Å; S16-K18 PolarHBondContact O-N 3.3Å; S16-K18 VanDerWaalsContact O-N 3.13Å; S16-S117 VanDerWaalsContact CB-O 3.31Å; S16-S117 WeakPolarHBondContact CB-O 3.37Å
17	A	95.9	Very high	85.7	Confident	3 Å²	3	64.8 Å²	64.8	3%	0.025	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	18.9	173.5	0	0	0	0	0	113.2	V19 Y25 V28 F115	A17-V19 VanDerWaalsContact C-N 3.33Å; A17-Y25 WeakPolarHBondContact O-CD2 3.45Å; A17-V28 HydrophobicContact CB-CB 3.74Å; A17-V28 HydrophobicContact CB-CG1 4.19Å; A17-V28 HydrophobicContact CB-CG2 3.62Å; A17-F115 CarbonylContact C-O 3.53Å; A17-F115 HydrophobicContact CB-CB 4.44Å; A17-F115 HydrophobicContact CB-CD1 3.94Å; A17-F115 HydrophobicContact CB-CG 4.41Å
18	K	93.1	Very high	88.5	Confident	119 Å²	119	59.3 Å²	59.3	52%	0.517	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-30.1	172.2	-67.2	-176.2	-171.5	173.3	0	112.4	S16 E20 F115 K116	S16-K18 PolarHBondContact O-N 3.3Å; S16-K18 VanDerWaalsContact O-N 3.13Å; K18-E20 PolarHBondContact O-N 2.81Å; K18-F115 WeakPolarHBondContact CG-O 3.27Å; K18-F115 PolarHBondContact N-O 3.02Å; K18-K116 VanDerWaalsContact CE-C 3.42Å; K18-K116 VanDerWaalsContact CE-CA 3.4Å; K18-K116 WeakPolarHBondContact CE-O 3.47Å; K18-K116 PolarHBondContact NZ-O 3.17Å; K18-K116 VanDerWaalsContact NZ-O 3.15Å
19	V	91.3	Very high	91.2	Very high	78 Å²	78	54.2 Å²	54.2	47%	0.473	29%	0.292	S	S	.	.	S	Bend	trans	-90.3	101	-175.4	-175.9	0	0	0	0	108.1	A17 G21 S22 Y25	A17-V19 VanDerWaalsContact C-N 3.33Å; V19-G21 PolarHBondContact O-N 3.35Å; V19-S22 VanDerWaalsContact O-CB 3.24Å; V19-S22 WeakPolarHBondContact O-CB 3.36Å; V19-S22 PolarHBondContact O-N 3.19Å; V19-S22 VanDerWaalsContact O-N 3.1Å; V19-S22 PolarHBondContact O-OG 3.31Å; V19-Y25 WeakPolarHBondContact O-CB 3.39Å
20	E	92.9	Very high	93.5	Very high	154 Å²	154	49 Å²	49	72%	0.72	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	137.1	175.9	-66.1	-169.7	165	0	0	111	K18 S22 Y25	K18-E20 PolarHBondContact O-N 2.81Å; E20-S22 PolarHBondContact O-N 3.45Å; E20-Y25 HydrophobicContact CG-CD2 4.38Å; E20-Y25 HydrophobicContact CG-CE2 3.94Å
21	G	88.2	Confident	94.6	Very high	55 Å²	55	50.2 Å²	50.2	57%	0.567	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	-11.6	-177.2	0	0	0	0	0	115.3	V19	V19-G21 PolarHBondContact O-N 3.35Å
22	S	92.3	Very high	94.9	Very high	26 Å²	26	47.9 Å²	47.9	18%	0.182	25%	0.253	C	S	.	.	S	Bend	trans	-64.1	156.8	169.3	69.4	0	0	0	0	111.4	V19 E20 A24 Y25 L26	V19-S22 VanDerWaalsContact O-CB 3.24Å; V19-S22 WeakPolarHBondContact O-CB 3.36Å; V19-S22 PolarHBondContact O-N 3.19Å; V19-S22 VanDerWaalsContact O-N 3.1Å; V19-S22 PolarHBondContact O-OG 3.31Å; E20-S22 PolarHBondContact O-N 3.45Å; S22-A24 VanDerWaalsContact C-N 3.27Å; S22-A24 PolarHBondContact O-N 2.86Å; S22-Y25 WeakPolarHBondContact O-CB 3.44Å; S22-Y25 PolarHBondContact O-N 3.15Å; S22-Y25 VanDerWaalsContact O-N 3.16Å; S22-Y25 WeakPolarHBondContact OG-CB 3.38Å; S22-Y25 PolarHBondContact OG-N 3Å; S22-Y25 VanDerWaalsContact OG-N 3.12Å; S22-L26 WeakPolarHBondContact O-CG 3.44Å; S22-L26 PolarHBondContact O-N 3Å
23	F	93.5	Very high	95	Very high	19 Å²	19	47.1 Å²	47.1	8%	0.083	25%	0.248	C	C	.	.	H	α-helix	trans	-63.9	-33.9	176.5	-172.6	-102.7	0	0	0	112.8	L26 T27 R31 W119 K412 N414 T436	F23-L26 PolarHBondContact O-N 3.46Å; F23-T27 VanDerWaalsContact O-CB 3.26Å; F23-T27 WeakPolarHBondContact O-CB 3.47Å; F23-T27 PolarHBondContact O-N 2.84Å; F23-T27 PolarHBondContact O-OG1 3.44Å; F23-R31 VanDerWaalsContact CE2-CZ 3.49Å; F23-R31 VanDerWaalsContact CZ-CZ 3.44Å; F23-W119 AromaticContact CD1-CH2 3.62Å; F23-W119 HydrophobicContact CD1-CH2 3.62Å; F23-W119 HydrophobicContact CD1-CZ2 4Å; F23-W119 HydrophobicContact CD1-CZ3 4.42Å; F23-W119 AromaticContact CE1-CH2 3.83Å; F23-W119 HydrophobicContact CE1-CH2 3.83Å; F23-W119 HydrophobicContact CE1-CZ2 4.09Å; F23-K412 WeakPolarHBondContact CE1-O 3.35Å; F23-K412 WeakPolarHBondContact CZ-O 3.02Å; F23-N414 WeakPolarHBondContact CB-OD1 3.24Å; F23-N414 PolarHBondContact N-OD1 3.16Å; F23-T436 HydrophobicContact CB-CG2 3.85Å; F23-T436 HydrophobicContact CD1-CG2 3.93Å; F23-T436 HydrophobicContact CD2-CG2 3.49Å; F23-T436 VanDerWaalsContact CD2-CG2 3.49Å; F23-T436 HydrophobicContact CE1-CG2 4.25Å; F23-T436 VanDerWaalsContact CE2-CB 3.45Å; F23-T436 HydrophobicContact CE2-CG2 3.81Å; F23-T436 HydrophobicContact CG-CG2 3.5Å; F23-T436 VanDerWaalsContact CG-CG2 3.5Å; F23-T436 HydrophobicContact CZ-CG2 4.13Å
24	A	95.5	Very high	95.2	Very high	3 Å²	3	46.5 Å²	46.5	3%	0.025	24%	0.243	C	C	.	.	H	α-helix	trans	-59.7	-47.6	172.7	0	0	0	0	0	110.5	S22 T27 V28 W119	S22-A24 VanDerWaalsContact C-N 3.27Å; S22-A24 PolarHBondContact O-N 2.86Å; A24-T27 PolarHBondContact O-N 2.78Å; A24-V28 WeakPolarHBondContact O-CG2 3.41Å; A24-V28 PolarHBondContact O-N 3.05Å; A24-W119 HydrophobicContact CB-CB 4.02Å; A24-W119 HydrophobicContact CB-CD2 3.63Å; A24-W119 HydrophobicContact CB-CE3 3.87Å; A24-W119 HydrophobicContact CB-CG 3.7Å
25	Y	96.7	Very high	95.3	Very high	36 Å²	36	47 Å²	47	14%	0.141	24%	0.243	C	C	.	.	H	α-helix	trans	-59.6	-48	175.4	175.1	-93.7	0	0	0	112.6	A17 V19 E20 S22 T27 V28 R29 F115	A17-Y25 WeakPolarHBondContact O-CD2 3.45Å; V19-Y25 WeakPolarHBondContact O-CB 3.39Å; E20-Y25 HydrophobicContact CG-CD2 4.38Å; E20-Y25 HydrophobicContact CG-CE2 3.94Å; S22-Y25 WeakPolarHBondContact O-CB 3.44Å; S22-Y25 PolarHBondContact O-N 3.15Å; S22-Y25 VanDerWaalsContact O-N 3.16Å; S22-Y25 WeakPolarHBondContact OG-CB 3.38Å; S22-Y25 PolarHBondContact OG-N 3Å; S22-Y25 VanDerWaalsContact OG-N 3.12Å; Y25-T27 VanDerWaalsContact C-N 3.26Å; Y25-T27 PolarHBondContact O-N 2.88Å; Y25-V28 PolarHBondContact O-N 3.06Å; Y25-R29 HydrophobicContact CE1-CB 4.48Å; Y25-R29 WeakPolarHBondContact O-CB 3.34Å; Y25-R29 PolarHBondContact O-N 3.02Å; Y25-F115 AromaticContact CD2-CD1 3.87Å; Y25-F115 HydrophobicContact CD2-CD1 3.87Å; Y25-F115 AromaticContact CD2-CE1 3.85Å; Y25-F115 HydrophobicContact CD2-CE1 3.85Å; Y25-F115 AromaticContact CE2-CD1 3.88Å; Y25-F115 HydrophobicContact CE2-CD1 3.88Å; Y25-F115 AromaticContact CE2-CE1 3.65Å; Y25-F115 HydrophobicContact CE2-CE1 3.65Å
26	L	95.6	Very high	95.4	Very high	62 Å²	62	46.2 Å²	46.2	33%	0.325	24%	0.239	S	C	.	.	H	α-helix	trans	-61.4	-36.6	176.8	-65.6	176	0	0	0	111.9	S22 F23 R29 D30	S22-L26 WeakPolarHBondContact O-CG 3.44Å; S22-L26 PolarHBondContact O-N 3Å; F23-L26 PolarHBondContact O-N 3.46Å; L26-R29 VanDerWaalsContact CD2-NH2 3.25Å; L26-D30 WeakPolarHBondContact O-CB 3.39Å; L26-D30 PolarHBondContact O-N 3.37Å
27	T	95.8	Very high	95.5	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.031	25%	0.253	C	S	.	.	I	π-helix	trans	-66.3	-50.6	177.5	-61.7	0	0	0	0	111	F23 A24 Y25 R31 L32 W119 E123	F23-T27 VanDerWaalsContact O-CB 3.26Å; F23-T27 WeakPolarHBondContact O-CB 3.47Å; F23-T27 PolarHBondContact O-N 2.84Å; F23-T27 PolarHBondContact O-OG1 3.44Å; A24-T27 PolarHBondContact O-N 2.78Å; Y25-T27 VanDerWaalsContact C-N 3.26Å; Y25-T27 PolarHBondContact O-N 2.88Å; T27-R31 HydrophobicContact CG2-CB 4.17Å; T27-R31 WeakPolarHBondContact O-CA 3.42Å; T27-R31 WeakPolarHBondContact O-CB 3.32Å; T27-R31 PolarHBondContact O-N 3.08Å; T27-L32 HydrophobicContact CG2-CD2 4.29Å; T27-L32 HydrophobicContact CG2-CG 4.41Å; T27-L32 PolarHBondContact O-N 3.49Å; T27-W119 HydrophobicContact CG2-CZ2 4.04Å; T27-E123 WeakPolarHBondContact CG2-OE1 3.32Å
28	V	97.1	Very high	95.6	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.283	C	S	.	.	I	π-helix	trans	-64	-45.2	178.4	178.4	0	0	0	0	111.7	A17 A24 Y25 L32 P33 L76 W114 F115 I122	A17-V28 HydrophobicContact CB-CB 3.74Å; A17-V28 HydrophobicContact CB-CG1 4.19Å; A17-V28 HydrophobicContact CB-CG2 3.62Å; A24-V28 WeakPolarHBondContact O-CG2 3.41Å; A24-V28 PolarHBondContact O-N 3.05Å; Y25-V28 PolarHBondContact O-N 3.06Å; V28-L32 HydrophobicContact CG2-CD1 4.19Å; V28-P33 WeakPolarHBondContact O-CD 3.3Å; V28-L76 HydrophobicContact CG1-CD2 4.49Å; V28-L76 WeakPolarHBondContact O-CD2 3.34Å; V28-W114 HydrophobicContact CG1-CB 4.41Å; V28-F115 HydrophobicContact CG1-CD1 4.41Å; V28-F115 HydrophobicContact CG1-CD2 4.2Å; V28-F115 HydrophobicContact CG1-CE1 4.19Å; V28-F115 HydrophobicContact CG1-CE2 3.97Å; V28-F115 HydrophobicContact CG1-CG 4.42Å; V28-F115 HydrophobicContact CG1-CZ 3.97Å; V28-I122 HydrophobicContact CB-CD1 4.46Å; V28-I122 HydrophobicContact CG1-CD1 4.43Å; V28-I122 HydrophobicContact CG2-CD1 3.27Å; V28-I122 HydrophobicContact CG2-CG1 4.33Å
29	R	97.1	Very high	95.9	Very high	94 Å²	94	51 Å²	51	36%	0.355	26%	0.259	S	S	.	.	I	π-helix	trans	-69.9	-42.9	-176.2	-170.4	-168.9	68.2	-171.9	-3.7	112.9	Y25 L26 P33 F115	Y25-R29 HydrophobicContact CE1-CB 4.48Å; Y25-R29 WeakPolarHBondContact O-CB 3.34Å; Y25-R29 PolarHBondContact O-N 3.02Å; L26-R29 VanDerWaalsContact CD2-NH2 3.25Å; R29-P33 WeakPolarHBondContact O-CG 3.49Å; R29-F115 HydrophobicContact CB-CE1 4.18Å; R29-F115 HydrophobicContact CB-CZ 4.23Å
30	D	95.4	Very high	96.2	Very high	68 Å²	68	48.4 Å²	48.4	36%	0.364	24%	0.242	S	C	.	.	I	π-helix	trans	-114	-44.3	-167.4	-54.2	-30.3	0	0	0	112.9	L26 T34	L26-D30 WeakPolarHBondContact O-CB 3.39Å; L26-D30 PolarHBondContact O-N 3.37Å; D30-T34 WeakPolarHBondContact O-CB 3.44Å; D30-T34 PolarHBondContact O-N 3.39Å; D30-T34 PolarHBondContact O-OG1 3.28Å
31	R	96.6	Very high	96.5	Very high	124 Å²	124	44.8 Å²	44.8	47%	0.468	23%	0.227	S	C	.	.	I	π-helix	trans	-78.2	-47.7	-171.3	-59.8	-177.5	176.7	-161	-3.7	112.4	F23 T27 T34 I35	F23-R31 VanDerWaalsContact CE2-CZ 3.49Å; F23-R31 VanDerWaalsContact CZ-CZ 3.44Å; T27-R31 HydrophobicContact CG2-CB 4.17Å; T27-R31 WeakPolarHBondContact O-CA 3.42Å; T27-R31 WeakPolarHBondContact O-CB 3.32Å; T27-R31 PolarHBondContact O-N 3.08Å; R31-T34 WeakPolarHBondContact O-CB 3.34Å; R31-T34 PolarHBondContact O-N 3.07Å; R31-T34 VanDerWaalsContact O-N 3.12Å; R31-I35 WeakPolarHBondContact O-CG1 3.32Å; R31-I35 PolarHBondContact O-N 3.49Å
32	L	98.1	Very high	96.9	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.4	-44.2	-179.6	-59.6	-172	0	0	0	112.5	T27 V28 T34 I35 L36 L76 I122 E123 M126	T27-L32 HydrophobicContact CG2-CD2 4.29Å; T27-L32 HydrophobicContact CG2-CG 4.41Å; T27-L32 PolarHBondContact O-N 3.49Å; V28-L32 HydrophobicContact CG2-CD1 4.19Å; L32-T34 VanDerWaalsContact C-N 3.3Å; L32-T34 PolarHBondContact O-N 2.9Å; L32-I35 HydrophobicContact CD2-CD1 4.3Å; L32-I35 PolarHBondContact O-N 3.19Å; L32-L36 PolarHBondContact O-N 3.45Å; L32-L76 HydrophobicContact CB-CD1 3.58Å; L32-L76 HydrophobicContact CD1-CD1 4.14Å; L32-I122 HydrophobicContact CD1-CD1 3.83Å; L32-E123 HydrophobicContact CD1-CG 4.14Å; L32-E123 HydrophobicContact CD2-CG 4.15Å; L32-M126 HydrophobicContact CB-SD 3.67Å; L32-M126 HydrophobicContact CD1-SD 4.34Å; L32-M126 HydrophobicContact CD2-CE 3.81Å; L32-M126 HydrophobicContact CD2-SD 3.85Å; L32-M126 HydrophobicContact CG-SD 4.14Å
33	P	98.1	Very high	97.2	Very high	12 Å²	12	41.7 Å²	41.7	8%	0.078	20%	0.196	C	C	.	.	H	α-helix	trans	-62.9	-35.1	173.1	-26.5	38.2	0	0	0	113.6	V28 R29 T37 R73 L76 L77	V28-P33 WeakPolarHBondContact O-CD 3.3Å; R29-P33 WeakPolarHBondContact O-CG 3.49Å; P33-T37 WeakPolarHBondContact O-CB 3.45Å; P33-T37 PolarHBondContact O-N 3.11Å; P33-T37 PolarHBondContact O-OG1 3.1Å; P33-R73 HydrophobicContact CB-CG 4.28Å; P33-L76 HydrophobicContact CG-CD2 3.64Å; P33-L77 HydrophobicContact CB-CD2 4.02Å; P33-L77 HydrophobicContact CB-CG 4.4Å; P33-L77 HydrophobicContact CG-CD2 3.57Å; P33-L77 HydrophobicContact CG-CG 4.14Å
34	T	98	Very high	97.4	Very high	68 Å²	68	45.7 Å²	45.7	42%	0.417	22%	0.215	S	C	.	.	H	α-helix	trans	-64.8	-44	175.4	-61.5	0	0	0	0	110.7	D30 R31 L32 T37 R38	D30-T34 WeakPolarHBondContact O-CB 3.44Å; D30-T34 PolarHBondContact O-N 3.39Å; D30-T34 PolarHBondContact O-OG1 3.28Å; R31-T34 WeakPolarHBondContact O-CB 3.34Å; R31-T34 PolarHBondContact O-N 3.07Å; R31-T34 VanDerWaalsContact O-N 3.12Å; L32-T34 VanDerWaalsContact C-N 3.3Å; L32-T34 PolarHBondContact O-N 2.9Å; T34-T37 PolarHBondContact O-N 2.99Å; T34-R38 WeakPolarHBondContact O-CG 3.46Å; T34-R38 PolarHBondContact O-N 3.5Å
35	I	98	Very high	97.6	Very high	31 Å²	31	51 Å²	51	16%	0.159	24%	0.235	C	C	.	.	H	α-helix	trans	-60.6	-50	175.8	-68.8	159.9	0	0	0	110.3	R31 L32 T37 R38 V39 M126 Y127 V297	R31-I35 WeakPolarHBondContact O-CG1 3.32Å; R31-I35 PolarHBondContact O-N 3.49Å; L32-I35 HydrophobicContact CD2-CD1 4.3Å; L32-I35 PolarHBondContact O-N 3.19Å; I35-T37 PolarHBondContact O-N 2.8Å; I35-R38 WeakPolarHBondContact O-CB 3.31Å; I35-R38 PolarHBondContact O-N 3.03Å; I35-R38 VanDerWaalsContact O-N 3.08Å; I35-V39 HydrophobicContact CG2-CG2 4.5Å; I35-V39 WeakPolarHBondContact O-CG2 3.13Å; I35-V39 PolarHBondContact O-N 3.5Å; I35-M126 HydrophobicContact CG2-CE 4.11Å; I35-Y127 HydrophobicContact CG2-CE1 4.35Å; I35-V297 HydrophobicContact CG2-CG2 4.11Å
36	L	98.3	Very high	97.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58	-38.4	176.8	-74.7	171	0	0	0	112.4	L32 V39 I40 L69 L72 R73 L76 M126 I130	L32-L36 PolarHBondContact O-N 3.45Å; L36-V39 PolarHBondContact O-N 3.04Å; L36-I40 VanDerWaalsContact O-CG1 3.29Å; L36-I40 WeakPolarHBondContact O-CG1 3.25Å; L36-I40 PolarHBondContact O-N 3.02Å; L36-L69 HydrophobicContact CD2-CD2 4.38Å; L36-L72 HydrophobicContact CD1-CG 4.29Å; L36-L72 HydrophobicContact CD2-CD2 3.79Å; L36-L72 HydrophobicContact CD2-CG 4.41Å; L36-R73 HydrophobicContact CB-CB 4.33Å; L36-R73 HydrophobicContact CB-CG 4.27Å; L36-R73 HydrophobicContact CD1-CB 3.91Å; L36-R73 HydrophobicContact CD1-CG 4.16Å; L36-L76 HydrophobicContact CD1-CD1 4.1Å; L36-M126 HydrophobicContact CD1-CG 4.3Å; L36-M126 HydrophobicContact CD1-SD 4.2Å; L36-M126 HydrophobicContact CD2-CG 4.19Å; L36-M126 HydrophobicContact CD2-SD 4.34Å; L36-M126 HydrophobicContact CG-CG 4.28Å; L36-M126 HydrophobicContact CG-SD 3.93Å; L36-I130 HydrophobicContact CD2-CD1 3.75Å; L36-I130 HydrophobicContact CD2-CG1 3.72Å
37	T	98.3	Very high	97.7	Very high	61 Å²	61	50.5 Å²	50.5	37%	0.374	23%	0.231	S	C	.	.	H	α-helix	trans	-66	-40.1	177	-57.7	0	0	0	0	111.7	P33 T34 I35 I40 D41 R73	P33-T37 WeakPolarHBondContact O-CB 3.45Å; P33-T37 PolarHBondContact O-N 3.11Å; P33-T37 PolarHBondContact O-OG1 3.1Å; T34-T37 PolarHBondContact O-N 2.99Å; I35-T37 PolarHBondContact O-N 2.8Å; T37-I40 PolarHBondContact O-N 2.92Å; T37-D41 PolarHBondContact O-N 3.37Å; T37-R73 WeakPolarHBondContact OG1-CD 3.23Å; T37-R73 PolarHBondContact OG1-NH1 3.38Å
38	R	98.1	Very high	97.8	Very high	174 Å²	174	55.7 Å²	55.7	66%	0.657	26%	0.258	S	S	*	.	H	α-helix	trans	-65.8	-38.8	173.6	-69.9	176.8	-178.2	-178.3	-0.3	112.3	T34 I35 D41 T42	T34-R38 WeakPolarHBondContact O-CG 3.46Å; T34-R38 PolarHBondContact O-N 3.5Å; I35-R38 WeakPolarHBondContact O-CB 3.31Å; I35-R38 PolarHBondContact O-N 3.03Å; I35-R38 VanDerWaalsContact O-N 3.08Å; R38-D41 PolarHBondContact O-N 3.22Å; R38-T42 PolarHBondContact O-N 3.08Å; R38-T42 PolarHBondContact O-OG1 3.25Å
39	V	98.4	Very high	97.8	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.012	28%	0.283	C	S	.	.	H	α-helix	trans	-61.6	-46.9	174.8	172.3	0	0	0	0	110.7	I35 L36 D41 T42 I43 L69 I130 V145 F146	I35-V39 HydrophobicContact CG2-CG2 4.5Å; I35-V39 WeakPolarHBondContact O-CG2 3.13Å; I35-V39 PolarHBondContact O-N 3.5Å; L36-V39 PolarHBondContact O-N 3.04Å; V39-D41 VanDerWaalsContact C-N 3.31Å; V39-D41 PolarHBondContact O-N 3.45Å; V39-T42 PolarHBondContact O-N 3.4Å; V39-I43 HydrophobicContact CG1-CD1 3.87Å; V39-I43 WeakPolarHBondContact O-CG1 3.42Å; V39-I43 PolarHBondContact O-N 3.28Å; V39-L69 HydrophobicContact CG1-CD1 3.71Å; V39-I130 HydrophobicContact CG1-CG2 4.1Å; V39-I130 HydrophobicContact CG2-CD1 4.32Å; V39-V145 HydrophobicContact CG1-CB 3.97Å; V39-V145 HydrophobicContact CG1-CG1 4.01Å; V39-V145 HydrophobicContact CG1-CG2 3.98Å; V39-V145 HydrophobicContact CG2-CG2 4.21Å; V39-F146 HydrophobicContact CG2-CD1 4.32Å; V39-F146 HydrophobicContact CG2-CE1 3.39Å; V39-F146 HydrophobicContact CG2-CZ 3.85Å
40	I	98.6	Very high	97.9	Very high	23 Å²	23	57.1 Å²	57.1	12%	0.118	27%	0.267	C	S	.	.	H	α-helix	trans	-57.7	-45.5	175.3	-71.3	163.9	0	0	0	110.8	L36 T37 I43 H44 I66 L69	L36-I40 VanDerWaalsContact O-CG1 3.29Å; L36-I40 WeakPolarHBondContact O-CG1 3.25Å; L36-I40 PolarHBondContact O-N 3.02Å; T37-I40 PolarHBondContact O-N 2.92Å; I40-I43 PolarHBondContact O-N 3.16Å; I40-H44 WeakPolarHBondContact O-CB 3.18Å; I40-H44 PolarHBondContact O-N 3.17Å; I40-I66 HydrophobicContact CG2-CG1 4.28Å; I40-I66 HydrophobicContact CG2-CG2 3.95Å; I40-L69 HydrophobicContact CD1-CB 4.02Å; I40-L69 HydrophobicContact CG1-CB 3.71Å; I40-L69 HydrophobicContact CG1-CD1 4.17Å
41	D	98.3	Very high	98	Very high	77 Å²	77	58.7 Å²	58.7	41%	0.412	27%	0.271	S	S	.	.	H	α-helix	trans	-61.5	-45.9	176.9	179.2	76	0	0	0	112.2	T37 R38 V39 I43 H44 R45	T37-D41 PolarHBondContact O-N 3.37Å; R38-D41 PolarHBondContact O-N 3.22Å; V39-D41 VanDerWaalsContact C-N 3.31Å; V39-D41 PolarHBondContact O-N 3.45Å; D41-I43 PolarHBondContact O-N 2.76Å; D41-H44 WeakPolarHBondContact O-CB 3.42Å; D41-H44 PolarHBondContact O-N 3.32Å; D41-H44 VanDerWaalsContact O-N 3.14Å; D41-R45 WeakPolarHBondContact O-CG 3.46Å; D41-R45 PolarHBondContact O-N 3.14Å; D41-R45 WeakPolarHBondContact OD2-CD 3.49Å; D41-R45 IonicContact OD2-CZ 2.81Å; D41-R45 IonicContact OD2-NE 3Å; D41-R45 PolarHBondContact OD2-NE 3.1Å
42	T	98.1	Very high	98.1	Very high	17 Å²	17	60.2 Å²	60.2	10%	0.104	28%	0.283	C	S	.	.	H	α-helix	trans	-59.2	-45.4	177.3	-64.4	0	0	0	0	111.9	R38 V39 H44 R45 N46 F143 V145	R38-T42 PolarHBondContact O-N 3.08Å; R38-T42 PolarHBondContact O-OG1 3.25Å; V39-T42 PolarHBondContact O-N 3.4Å; T42-H44 VanDerWaalsContact C-N 3.3Å; T42-H44 PolarHBondContact O-N 3.02Å; T42-R45 PolarHBondContact O-N 3.4Å; T42-R45 PolarHBondContact OG1-NH2 3.16Å; T42-N46 PolarHBondContact O-N 3.28Å; T42-N46 VanDerWaalsContact O-N 3.16Å; T42-N46 PolarHBondContact O-ND2 3.18Å; T42-F143 HydrophobicContact CG2-CE1 4.4Å; T42-F143 HydrophobicContact CG2-CZ 4.29Å; T42-V145 WeakPolarHBondContact CG2-O 2.9Å
43	I	98.1	Very high	98.1	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.6	-44.6	176.7	-67.5	162.5	0	0	0	109.9	V39 I40 D41 N46 K47 F50 E62 T65 I66 L69 I134 F143 V145	V39-I43 HydrophobicContact CG1-CD1 3.87Å; V39-I43 WeakPolarHBondContact O-CG1 3.42Å; V39-I43 PolarHBondContact O-N 3.28Å; I40-I43 PolarHBondContact O-N 3.16Å; D41-I43 PolarHBondContact O-N 2.76Å; I43-N46 PolarHBondContact O-N 3.34Å; I43-K47 PolarHBondContact O-N 3.26Å; I43-F50 HydrophobicContact CG2-CE2 4.22Å; I43-E62 HydrophobicContact CG2-CB 4.34Å; I43-E62 HydrophobicContact CG2-CG 3.66Å; I43-T65 HydrophobicContact CD1-CG2 3.78Å; I43-I66 HydrophobicContact CB-CG1 4.41Å; I43-I66 HydrophobicContact CG2-CD1 4.21Å; I43-I66 HydrophobicContact CG2-CG1 3.92Å; I43-L69 HydrophobicContact CD1-CD1 3.33Å; I43-I134 HydrophobicContact CD1-CD1 4Å; I43-I134 HydrophobicContact CG1-CD1 4.46Å; I43-F143 HydrophobicContact CG1-CE1 4.26Å; I43-V145 HydrophobicContact CD1-CG1 3.99Å; I43-V145 HydrophobicContact CG1-CG1 3.91Å
44	H	98.2	Very high	98.1	Very high	103 Å²	103	69.5 Å²	69.5	48%	0.477	33%	0.325	S	S	.	.	H	α-helix	trans	-63.1	-45.1	179.3	-171.9	57	0	0	0	113.1	I40 D41 T42 N46 K47 E62 I66	I40-H44 WeakPolarHBondContact O-CB 3.18Å; I40-H44 PolarHBondContact O-N 3.17Å; D41-H44 WeakPolarHBondContact O-CB 3.42Å; D41-H44 PolarHBondContact O-N 3.32Å; D41-H44 VanDerWaalsContact O-N 3.14Å; T42-H44 VanDerWaalsContact C-N 3.3Å; T42-H44 PolarHBondContact O-N 3.02Å; H44-N46 PolarHBondContact O-N 2.96Å; H44-K47 WeakPolarHBondContact O-CB 3.48Å; H44-K47 PolarHBondContact O-N 2.82Å; H44-K47 VanDerWaalsContact O-N 3.1Å; H44-E62 IonicContact CG-OE1 3.9Å; H44-E62 IonicContact ND1-OE1 3.03Å; H44-E62 PolarHBondContact ND1-OE1 2.85Å; H44-I66 HydrophobicContact CB-CD1 3.98Å
45	R	98	Very high	98.1	Very high	115 Å²	115	67.5 Å²	67.5	43%	0.434	32%	0.318	S	S	.	.	H	α-helix	trans	-62.4	-26.5	177.2	-71.2	-171.9	-62.4	108.3	8.6	112.6	D41 T42 E148	D41-R45 WeakPolarHBondContact O-CG 3.46Å; D41-R45 PolarHBondContact O-N 3.14Å; D41-R45 WeakPolarHBondContact OD2-CD 3.49Å; D41-R45 IonicContact OD2-CZ 2.81Å; D41-R45 IonicContact OD2-NE 3Å; D41-R45 PolarHBondContact OD2-NE 3.1Å; T42-R45 PolarHBondContact O-N 3.4Å; T42-R45 PolarHBondContact OG1-NH2 3.16Å; R45-E148 IonicContact CZ-OE1 2.76Å; R45-E148 IonicContact CZ-OE2 3.18Å; R45-E148 VanDerWaalsContact NH1-CD 3.33Å; R45-E148 IonicContact NH1-OE1 2.82Å; R45-E148 PolarHBondContact NH1-OE1 2.59Å; R45-E148 IonicContact NH1-OE2 2.81Å; R45-E148 PolarHBondContact NH1-OE2 3.3Å; R45-E148 IonicContact NH2-OE1 3.1Å; R45-E148 IonicContact NH2-OE2 2.72Å; R45-E148 PolarHBondContact NH2-OE2 3.44Å
46	N	97.8	Very high	98.1	Very high	9 Å²	9	71.7 Å²	71.7	5%	0.048	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	5.4	177.7	-72.9	-83.5	0	0	0	113.9	T42 I43 H44 N48 K49 F50 F143	T42-N46 PolarHBondContact O-N 3.28Å; T42-N46 VanDerWaalsContact O-N 3.16Å; T42-N46 PolarHBondContact O-ND2 3.18Å; I43-N46 PolarHBondContact O-N 3.34Å; H44-N46 PolarHBondContact O-N 2.96Å; N46-N48 VanDerWaalsContact C-N 3.28Å; N46-N48 PolarHBondContact O-N 3.16Å; N46-K49 WeakPolarHBondContact O-CB 3.45Å; N46-K49 PolarHBondContact O-N 3.4Å; N46-K49 VanDerWaalsContact OD1-CD 3.3Å; N46-K49 WeakPolarHBondContact OD1-CD 3.48Å; N46-K49 WeakPolarHBondContact OD1-CE 3.23Å; N46-K49 PolarHBondContact OD1-NZ 3Å; N46-F50 HydrophobicContact CB-CD2 4.46Å; N46-F50 HydrophobicContact CB-CE2 3.91Å; N46-F50 HydrophobicContact CB-CZ 3.97Å; N46-F50 WeakPolarHBondContact O-CD2 3.43Å; N46-F50 WeakPolarHBondContact O-CG 3.2Å; N46-F50 PolarHBondContact O-N 2.87Å; N46-F143 HydrophobicContact CB-CE2 4.45Å; N46-F143 HydrophobicContact CB-CZ 4.15Å
47	K	97.7	Very high	98.1	Very high	78 Å²	78	78.6 Å²	78.6	34%	0.339	37%	0.369	S	S	.	.	H	α-helix	trans	-49.4	-44.5	176.3	178.5	-173.2	171.4	-166.7	0	113.7	I43 H44 K49 F50 F51 V59	I43-K47 PolarHBondContact O-N 3.26Å; H44-K47 WeakPolarHBondContact O-CB 3.48Å; H44-K47 PolarHBondContact O-N 2.82Å; H44-K47 VanDerWaalsContact O-N 3.1Å; K47-K49 VanDerWaalsContact C-N 3.33Å; K47-K49 PolarHBondContact O-N 2.49Å; K47-F50 PolarHBondContact O-N 2.83Å; K47-F51 PolarHBondContact O-N 3.07Å; K47-V59 HydrophobicContact CD-CG1 4.48Å; K47-V59 HydrophobicContact CG-CG1 4.35Å; K47-V59 HydrophobicContact CG-CG2 4.19Å
48	N	97.6	Very high	98.1	Very high	113 Å²	113	75.7 Å²	75.7	60%	0.604	35%	0.351	S	S	*	.	H	α-helix	trans	-65.2	-38.8	-180	-69.8	-11.3	0	0	0	111.5	N46 F51 E52	N46-N48 VanDerWaalsContact C-N 3.28Å; N46-N48 PolarHBondContact O-N 3.16Å; N48-F51 WeakPolarHBondContact O-CB 3.44Å; N48-F51 PolarHBondContact O-N 3.45Å; N48-E52 VanDerWaalsContact O-CG 3.32Å; N48-E52 WeakPolarHBondContact O-CG 3.41Å; N48-E52 PolarHBondContact O-N 3.5Å
49	K	97.3	Very high	98.1	Very high	119 Å²	119	67.7 Å²	67.7	52%	0.517	32%	0.322	S	S	.	.	H	α-helix	trans	-64.9	-42.6	175.3	-61.4	-171.6	-167.5	156.6	0	111.3	N46 K47 F51 E52 E53	N46-K49 WeakPolarHBondContact O-CB 3.45Å; N46-K49 PolarHBondContact O-N 3.4Å; N46-K49 VanDerWaalsContact OD1-CD 3.3Å; N46-K49 WeakPolarHBondContact OD1-CD 3.48Å; N46-K49 WeakPolarHBondContact OD1-CE 3.23Å; N46-K49 PolarHBondContact OD1-NZ 3Å; K47-K49 VanDerWaalsContact C-N 3.33Å; K47-K49 PolarHBondContact O-N 2.49Å; K49-F51 VanDerWaalsContact C-N 3.27Å; K49-F51 PolarHBondContact O-N 2.95Å; K49-E52 PolarHBondContact O-N 3.41Å; K49-E53 WeakPolarHBondContact O-CB 3.47Å; K49-E53 PolarHBondContact O-N 2.94Å
50	F	98.3	Very high	98.1	Very high	6 Å²	6	71.4 Å²	71.4	3%	0.026	34%	0.339	C	S	.	.	H	α-helix	trans	-62.7	-34.7	175.3	-59.4	-40.5	0	0	0	112.5	I43 N46 K47 F54 E62 I140 F143	I43-F50 HydrophobicContact CG2-CE2 4.22Å; N46-F50 HydrophobicContact CB-CD2 4.46Å; N46-F50 HydrophobicContact CB-CE2 3.91Å; N46-F50 HydrophobicContact CB-CZ 3.97Å; N46-F50 WeakPolarHBondContact O-CD2 3.43Å; N46-F50 WeakPolarHBondContact O-CG 3.2Å; N46-F50 PolarHBondContact O-N 2.87Å; K47-F50 PolarHBondContact O-N 2.83Å; F50-F54 HydrophobicContact CD1-CE2 4.48Å; F50-F54 WeakPolarHBondContact O-CA 3.44Å; F50-F54 WeakPolarHBondContact O-CB 3.22Å; F50-F54 PolarHBondContact O-N 3.28Å; F50-E62 HydrophobicContact CD2-CB 4.01Å; F50-E62 HydrophobicContact CD2-CG 4.35Å; F50-E62 HydrophobicContact CE2-CB 4.42Å; F50-I140 HydrophobicContact CB-CG2 4.5Å; F50-I140 HydrophobicContact CD1-CB 4.49Å; F50-I140 HydrophobicContact CD1-CG2 3.5Å; F50-I140 HydrophobicContact CD2-CG2 4.44Å; F50-I140 HydrophobicContact CE1-CB 4.2Å; F50-I140 HydrophobicContact CE1-CG2 3.68Å; F50-I140 HydrophobicContact CE2-CD1 4.45Å; F50-I140 HydrophobicContact CG-CG2 3.92Å; F50-I140 HydrophobicContact CZ-CD1 4.38Å; F50-I140 HydrophobicContact CZ-CG2 4.23Å; F50-F143 HydrophobicContact CE1-CB 4.45Å; F50-F143 AromaticContact CE1-CD2 3.7Å; F50-F143 HydrophobicContact CE1-CD2 3.7Å; F50-F143 HydrophobicContact CE1-CE2 4.02Å; F50-F143 AromaticContact CE1-CG 3.98Å; F50-F143 HydrophobicContact CE1-CG 3.98Å; F50-F143 AromaticContact CZ-CD1 3.92Å; F50-F143 HydrophobicContact CZ-CD1 3.92Å; F50-F143 AromaticContact CZ-CD2 3.83Å; F50-F143 HydrophobicContact CZ-CD2 3.83Å; F50-F143 AromaticContact CZ-CE1 3.98Å; F50-F143 HydrophobicContact CZ-CE1 3.98Å; F50-F143 AromaticContact CZ-CE2 3.9Å; F50-F143 HydrophobicContact CZ-CE2 3.9Å; F50-F143 AromaticContact CZ-CG 3.84Å; F50-F143 HydrophobicContact CZ-CG 3.84Å; F50-F143 AromaticContact CZ-CZ 3.98Å; F50-F143 HydrophobicContact CZ-CZ 3.98Å
51	F	98.3	Very high	98.1	Very high	100 Å²	100	70.3 Å²	70.3	44%	0.439	33%	0.333	S	S	.	.	H	α-helix	trans	-69.2	-43	173	-177.7	-97.5	0	0	0	112.4	K47 N48 K49 E53 G55 E56 V59	K47-F51 PolarHBondContact O-N 3.07Å; N48-F51 WeakPolarHBondContact O-CB 3.44Å; N48-F51 PolarHBondContact O-N 3.45Å; K49-F51 VanDerWaalsContact C-N 3.27Å; K49-F51 PolarHBondContact O-N 2.95Å; F51-E53 VanDerWaalsContact C-N 3.33Å; F51-E53 PolarHBondContact O-N 2.89Å; F51-G55 WeakPolarHBondContact O-CA 3.31Å; F51-G55 PolarHBondContact O-N 3.39Å; F51-E56 HydrophobicContact CE2-CG 4.27Å; F51-E56 WeakPolarHBondContact CE2-OE1 3.38Å; F51-V59 HydrophobicContact CB-CG2 3.74Å; F51-V59 HydrophobicContact CD2-CG2 3.86Å; F51-V59 HydrophobicContact CG-CG2 4.28Å
52	E	98.2	Very high	98.1	Very high	157 Å²	157	66.8 Å²	66.8	73%	0.734	31%	0.314	S	S	*	.	H	α-helix	trans	-62.9	-39.3	177.8	-74.6	168.6	-168.2	0	0	112.1	N48 K49	N48-E52 VanDerWaalsContact O-CG 3.32Å; N48-E52 WeakPolarHBondContact O-CG 3.41Å; N48-E52 PolarHBondContact O-N 3.5Å; K49-E52 PolarHBondContact O-N 3.41Å
53	E	97.6	Very high	98.1	Very high	139 Å²	139	71 Å²	71	65%	0.65	33%	0.331	S	S	*	.	H	α-helix	trans	-86.3	-38.8	-176.1	-166	173.8	177.8	0	0	113.1	K49 F51	K49-E53 WeakPolarHBondContact O-CB 3.47Å; K49-E53 PolarHBondContact O-N 2.94Å; F51-E53 VanDerWaalsContact C-N 3.33Å; F51-E53 PolarHBondContact O-N 2.89Å
54	F	98	Very high	98.1	Very high	67 Å²	67	76.7 Å²	76.7	29%	0.294	35%	0.353	S	S	.	.	H	α-helix	trans	-128	6	-170.3	-49.6	-68.4	0	0	0	114.5	F50 P139 I140	F50-F54 HydrophobicContact CD1-CE2 4.48Å; F50-F54 WeakPolarHBondContact O-CA 3.44Å; F50-F54 WeakPolarHBondContact O-CB 3.22Å; F50-F54 PolarHBondContact O-N 3.28Å; F54-P139 HydrophobicContact CB-CB 4.48Å; F54-P139 HydrophobicContact CB-CG 3.51Å; F54-P139 HydrophobicContact CD1-CB 3.81Å; F54-P139 HydrophobicContact CD1-CG 3.75Å; F54-P139 HydrophobicContact CD2-CG 4.01Å; F54-P139 HydrophobicContact CE1-CB 4.13Å; F54-P139 HydrophobicContact CE1-CG 4.46Å; F54-P139 HydrophobicContact CG-CB 4.05Å; F54-P139 HydrophobicContact CG-CG 3.48Å; F54-P139 VanDerWaalsContact CG-CG 3.48Å; F54-I140 HydrophobicContact CD2-CG2 4.24Å; F54-I140 HydrophobicContact CE2-CG2 4.22Å
55	G	98.1	Very high	98.1	Very high	27 Å²	27	71.8 Å²	71.8	28%	0.278	33%	0.33	S	S	.	.	H	α-helix	trans	62.9	-148.8	-179	0	0	0	0	0	113.8	F51 E57 G58 V59	F51-G55 WeakPolarHBondContact O-CA 3.31Å; F51-G55 PolarHBondContact O-N 3.39Å; G55-E57 PolarHBondContact O-N 3.06Å; G55-G58 PolarHBondContact O-N 2.98Å; G55-V59 PolarHBondContact O-N 3.04Å
56	E	98.1	Very high	98.2	Very high	119 Å²	119	67.8 Å²	67.8	56%	0.556	32%	0.317	S	S	*	.	H	α-helix	trans	-60.9	-30.4	179.7	-73	-64.3	159.2	0	0	112.9	F51 G58 V59 Q60	F51-E56 HydrophobicContact CE2-CG 4.27Å; F51-E56 WeakPolarHBondContact CE2-OE1 3.38Å; E56-G58 VanDerWaalsContact C-N 3.33Å; E56-G58 PolarHBondContact O-N 3.19Å; E56-V59 PolarHBondContact O-N 2.89Å; E56-Q60 WeakPolarHBondContact O-CG 3.37Å; E56-Q60 PolarHBondContact O-N 2.66Å
57	E	98.1	Very high	98.2	Very high	144 Å²	144	69.3 Å²	69.3	67%	0.673	34%	0.335	S	S	*	.	H	α-helix	trans	-63.3	-40.1	178.2	-66.5	-171	171.9	0	0	111.8	G55 V59 Q60 A61	G55-E57 PolarHBondContact O-N 3.06Å; E57-V59 PolarHBondContact O-N 3.36Å; E57-Q60 PolarHBondContact O-N 2.96Å; E57-A61 WeakPolarHBondContact O-CB 3.38Å; E57-A61 PolarHBondContact O-N 2.86Å
58	G	98.3	Very high	98.3	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-60.8	-42	173.5	0	0	0	0	0	112.8	G55 E56 A61 E62	G55-G58 PolarHBondContact O-N 2.98Å; E56-G58 VanDerWaalsContact C-N 3.33Å; E56-G58 PolarHBondContact O-N 3.19Å; G58-A61 PolarHBondContact O-N 3.02Å; G58-E62 PolarHBondContact O-N 2.89Å
59	V	98.3	Very high	98.3	Very high	6 Å²	6	62.2 Å²	62.2	4%	0.036	30%	0.299	C	S	.	.	H	α-helix	trans	-67.4	-36.8	176.7	177.8	0	0	0	0	111.8	K47 F51 G55 E56 E57 K63	K47-V59 HydrophobicContact CD-CG1 4.48Å; K47-V59 HydrophobicContact CG-CG1 4.35Å; K47-V59 HydrophobicContact CG-CG2 4.19Å; F51-V59 HydrophobicContact CB-CG2 3.74Å; F51-V59 HydrophobicContact CD2-CG2 3.86Å; F51-V59 HydrophobicContact CG-CG2 4.28Å; G55-V59 PolarHBondContact O-N 3.04Å; E56-V59 PolarHBondContact O-N 2.89Å; E57-V59 PolarHBondContact O-N 3.36Å; V59-K63 WeakPolarHBondContact O-CG 3.4Å; V59-K63 PolarHBondContact O-N 2.97Å; V59-K63 VanDerWaalsContact O-N 3.17Å
60	Q	98.4	Very high	98.4	Very high	80 Å²	80	58.7 Å²	58.7	37%	0.374	29%	0.289	S	S	.	.	H	α-helix	trans	-70	-37.7	175.2	-62.9	-57.8	-34	0	0	111.8	E56 E57 K63 R64	E56-Q60 WeakPolarHBondContact O-CG 3.37Å; E56-Q60 PolarHBondContact O-N 2.66Å; E57-Q60 PolarHBondContact O-N 2.96Å; Q60-K63 PolarHBondContact O-N 3.38Å; Q60-R64 WeakPolarHBondContact O-CG 3.38Å; Q60-R64 PolarHBondContact O-N 3.25Å
61	A	98.4	Very high	98.4	Very high	0 Å²	0	64 Å²	64	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-62.2	-43.4	174.2	0	0	0	0	0	112.1	E57 G58 R64 T65 P138 I140	E57-A61 WeakPolarHBondContact O-CB 3.38Å; E57-A61 PolarHBondContact O-N 2.86Å; G58-A61 PolarHBondContact O-N 3.02Å; A61-R64 PolarHBondContact O-N 3.17Å; A61-T65 WeakPolarHBondContact O-CB 3.5Å; A61-T65 PolarHBondContact O-N 2.55Å; A61-T65 PolarHBondContact O-OG1 3.49Å; A61-P138 WeakPolarHBondContact CB-O 3.29Å; A61-I140 HydrophobicContact CB-CD1 4.42Å; A61-I140 HydrophobicContact CB-CG1 4.1Å; A61-I140 HydrophobicContact CB-CG2 4.43Å
62	E	98.3	Very high	98.4	Very high	4 Å²	4	59.2 Å²	59.2	2%	0.019	29%	0.291	C	S	.	.	H	α-helix	trans	-53.3	-55	171.4	174.4	-109.3	178	0	0	111.4	I43 H44 F50 G58 R64 T65 I66	I43-E62 HydrophobicContact CG2-CB 4.34Å; I43-E62 HydrophobicContact CG2-CG 3.66Å; H44-E62 IonicContact CG-OE1 3.9Å; H44-E62 IonicContact ND1-OE1 3.03Å; H44-E62 PolarHBondContact ND1-OE1 2.85Å; F50-E62 HydrophobicContact CD2-CB 4.01Å; F50-E62 HydrophobicContact CD2-CG 4.35Å; F50-E62 HydrophobicContact CE2-CB 4.42Å; G58-E62 PolarHBondContact O-N 2.89Å; E62-R64 PolarHBondContact O-N 2.95Å; E62-T65 WeakPolarHBondContact O-CB 3.26Å; E62-T65 PolarHBondContact O-N 3.2Å; E62-I66 HydrophobicContact CG-CD1 3.99Å; E62-I66 WeakPolarHBondContact O-CG1 3.39Å; E62-I66 PolarHBondContact O-N 2.92Å; E62-I66 WeakPolarHBondContact OE1-CD1 3Å
63	K	98.5	Very high	98.4	Very high	106 Å²	106	55.6 Å²	55.6	46%	0.461	27%	0.271	S	S	.	.	H	α-helix	trans	-58.1	-44.4	-179.6	-71.4	174.8	-175.7	169	0	113	V59 Q60 I66 G67	V59-K63 WeakPolarHBondContact O-CG 3.4Å; V59-K63 PolarHBondContact O-N 2.97Å; V59-K63 VanDerWaalsContact O-N 3.17Å; Q60-K63 PolarHBondContact O-N 3.38Å; K63-I66 PolarHBondContact O-N 3.5Å; K63-G67 PolarHBondContact O-N 3.28Å
64	R	98.6	Very high	98.5	Very high	118 Å²	118	53.1 Å²	53.1	45%	0.445	26%	0.262	S	S	.	.	H	α-helix	trans	-64.7	-41.5	178.5	-70	-171.6	-58.5	-93.8	3.2	111.5	Q60 A61 E62 G67 F68 N137 P138	Q60-R64 WeakPolarHBondContact O-CG 3.38Å; Q60-R64 PolarHBondContact O-N 3.25Å; A61-R64 PolarHBondContact O-N 3.17Å; E62-R64 PolarHBondContact O-N 2.95Å; R64-G67 PolarHBondContact O-N 3.45Å; R64-F68 PolarHBondContact O-N 3.48Å; R64-N137 WeakPolarHBondContact CB-OD1 3.44Å; R64-N137 PolarHBondContact NE-OD1 3.24Å; R64-P138 PolarHBondContact NH2-O 2.83Å
65	T	98.7	Very high	98.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-62.5	-46.6	176.6	-55.6	0	0	0	0	111.3	I43 A61 E62 G67 F68 L69 A133 I134 N137	I43-T65 HydrophobicContact CD1-CG2 3.78Å; A61-T65 WeakPolarHBondContact O-CB 3.5Å; A61-T65 PolarHBondContact O-N 2.55Å; A61-T65 PolarHBondContact O-OG1 3.49Å; E62-T65 WeakPolarHBondContact O-CB 3.26Å; E62-T65 PolarHBondContact O-N 3.2Å; T65-G67 VanDerWaalsContact C-N 3.29Å; T65-G67 PolarHBondContact O-N 3.21Å; T65-F68 WeakPolarHBondContact O-CB 3.24Å; T65-F68 PolarHBondContact O-N 3.29Å; T65-L69 HydrophobicContact CG2-CD1 4.04Å; T65-L69 HydrophobicContact CG2-CG 4.46Å; T65-L69 WeakPolarHBondContact O-CG 3.48Å; T65-L69 PolarHBondContact O-N 2.94Å; T65-A133 HydrophobicContact CG2-CB 4.33Å; T65-I134 HydrophobicContact CG2-CD1 3.62Å; T65-I134 HydrophobicContact CG2-CG1 4.36Å; T65-N137 WeakPolarHBondContact OG1-CB 3.46Å
66	I	98.8	Very high	98.5	Very high	31 Å²	31	49.1 Å²	49.1	16%	0.159	24%	0.237	C	C	.	.	H	α-helix	trans	-59.8	-41.5	175.1	-71.5	176.4	0	0	0	111.1	I40 I43 H44 E62 K63 L69 S70	I40-I66 HydrophobicContact CG2-CG1 4.28Å; I40-I66 HydrophobicContact CG2-CG2 3.95Å; I43-I66 HydrophobicContact CB-CG1 4.41Å; I43-I66 HydrophobicContact CG2-CD1 4.21Å; I43-I66 HydrophobicContact CG2-CG1 3.92Å; H44-I66 HydrophobicContact CB-CD1 3.98Å; E62-I66 HydrophobicContact CG-CD1 3.99Å; E62-I66 WeakPolarHBondContact O-CG1 3.39Å; E62-I66 PolarHBondContact O-N 2.92Å; E62-I66 WeakPolarHBondContact OE1-CD1 3Å; K63-I66 PolarHBondContact O-N 3.5Å; I66-L69 PolarHBondContact O-N 3.18Å; I66-S70 VanDerWaalsContact O-CB 3.25Å; I66-S70 WeakPolarHBondContact O-CB 3.38Å; I66-S70 PolarHBondContact O-N 2.88Å; I66-S70 PolarHBondContact O-OG 3.35Å
67	G	98.8	Very high	98.5	Very high	41 Å²	41	47.9 Å²	47.9	42%	0.423	23%	0.233	S	C	.	.	H	α-helix	trans	-59.1	-46.1	175	0	0	0	0	0	112.3	K63 R64 T65 S70 K71	K63-G67 PolarHBondContact O-N 3.28Å; R64-G67 PolarHBondContact O-N 3.45Å; T65-G67 VanDerWaalsContact C-N 3.29Å; T65-G67 PolarHBondContact O-N 3.21Å; G67-S70 PolarHBondContact O-N 3.03Å; G67-K71 PolarHBondContact O-N 2.81Å
68	F	98.8	Very high	98.4	Very high	43 Å²	43	44.3 Å²	44.3	19%	0.189	22%	0.222	C	C	.	.	H	α-helix	trans	-60.7	-50.4	175.9	-169.9	-69.7	0	0	0	111.8	R64 T65 S70 K71 L72 E132 A133 L136	R64-F68 PolarHBondContact O-N 3.48Å; T65-F68 WeakPolarHBondContact O-CB 3.24Å; T65-F68 PolarHBondContact O-N 3.29Å; F68-S70 VanDerWaalsContact C-N 3.32Å; F68-S70 PolarHBondContact O-N 2.91Å; F68-K71 WeakPolarHBondContact O-CB 3.45Å; F68-K71 PolarHBondContact O-N 3.5Å; F68-K71 VanDerWaalsContact O-N 3.15Å; F68-L72 PolarHBondContact O-N 3.12Å; F68-E132 HydrophobicContact CZ-CG 4.15Å; F68-E132 WeakPolarHBondContact CZ-OE2 3.32Å; F68-A133 HydrophobicContact CB-CB 4.11Å; F68-A133 HydrophobicContact CD1-CB 3.32Å; F68-A133 HydrophobicContact CE1-CB 3.79Å; F68-A133 HydrophobicContact CG-CB 3.75Å; F68-L136 HydrophobicContact CE2-CD1 4.03Å
69	L	98.8	Very high	98.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-66.7	-34	-178.1	-68.1	173.3	0	0	0	112.4	L36 V39 I40 I43 T65 I66 K71 L72 R73 I130 A133	L36-L69 HydrophobicContact CD2-CD2 4.38Å; V39-L69 HydrophobicContact CG1-CD1 3.71Å; I40-L69 HydrophobicContact CD1-CB 4.02Å; I40-L69 HydrophobicContact CG1-CB 3.71Å; I40-L69 HydrophobicContact CG1-CD1 4.17Å; I43-L69 HydrophobicContact CD1-CD1 3.33Å; T65-L69 HydrophobicContact CG2-CD1 4.04Å; T65-L69 HydrophobicContact CG2-CG 4.46Å; T65-L69 WeakPolarHBondContact O-CG 3.48Å; T65-L69 PolarHBondContact O-N 2.94Å; I66-L69 PolarHBondContact O-N 3.18Å; L69-K71 VanDerWaalsContact C-N 3.33Å; L69-L72 HydrophobicContact CD2-CD2 4.27Å; L69-L72 PolarHBondContact O-N 3.27Å; L69-R73 WeakPolarHBondContact O-CB 3.37Å; L69-R73 PolarHBondContact O-N 3.15Å; L69-I130 HydrophobicContact CD2-CB 4.32Å; L69-I130 HydrophobicContact CD2-CG1 3.91Å; L69-I130 HydrophobicContact CD2-CG2 4.43Å; L69-A133 HydrophobicContact CD2-CB 3.76Å; L69-A133 HydrophobicContact CG-CB 4.02Å
70	S	98.6	Very high	98.4	Very high	45 Å²	45	51.2 Å²	51.2	32%	0.315	25%	0.254	S	S	.	.	H	α-helix	trans	-64.8	-40	173.2	-61.9	0	0	0	0	111.3	I66 G67 F68 R73 N74	I66-S70 VanDerWaalsContact O-CB 3.25Å; I66-S70 WeakPolarHBondContact O-CB 3.38Å; I66-S70 PolarHBondContact O-N 2.88Å; I66-S70 PolarHBondContact O-OG 3.35Å; G67-S70 PolarHBondContact O-N 3.03Å; F68-S70 VanDerWaalsContact C-N 3.32Å; F68-S70 PolarHBondContact O-N 2.91Å; S70-R73 PolarHBondContact O-N 2.97Å; S70-N74 PolarHBondContact O-N 3.18Å; S70-N74 VanDerWaalsContact O-N 3.09Å
71	K	98.7	Very high	98.3	Very high	116 Å²	116	50.3 Å²	50.3	50%	0.504	26%	0.255	S	S	.	.	H	α-helix	trans	-63.1	-47.7	172.4	-171.9	-162.5	178	-146.4	0	111	G67 F68 L69 R73 N74 E75	G67-K71 PolarHBondContact O-N 2.81Å; F68-K71 WeakPolarHBondContact O-CB 3.45Å; F68-K71 PolarHBondContact O-N 3.5Å; F68-K71 VanDerWaalsContact O-N 3.15Å; L69-K71 VanDerWaalsContact C-N 3.33Å; K71-R73 VanDerWaalsContact C-N 3.33Å; K71-R73 PolarHBondContact O-N 3.18Å; K71-N74 WeakPolarHBondContact O-CB 3.28Å; K71-N74 PolarHBondContact O-N 2.91Å; K71-N74 VanDerWaalsContact O-N 3.1Å; K71-E75 WeakPolarHBondContact CD-OE1 3.44Å; K71-E75 WeakPolarHBondContact CE-OE1 3.33Å; K71-E75 IonicContact NZ-OE1 2.79Å; K71-E75 PolarHBondContact NZ-OE1 3.15Å; K71-E75 VanDerWaalsContact NZ-OE1 3.09Å; K71-E75 WeakPolarHBondContact O-CG 3.1Å; K71-E75 PolarHBondContact O-N 3.2Å
72	L	98.7	Very high	98.3	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-56.7	-44.7	176.3	177.4	64.2	0	0	0	111.9	L36 F68 L69 N74 E75 L76 W114 R129 I130	L36-L72 HydrophobicContact CD1-CG 4.29Å; L36-L72 HydrophobicContact CD2-CD2 3.79Å; L36-L72 HydrophobicContact CD2-CG 4.41Å; F68-L72 PolarHBondContact O-N 3.12Å; L69-L72 HydrophobicContact CD2-CD2 4.27Å; L69-L72 PolarHBondContact O-N 3.27Å; L72-N74 VanDerWaalsContact C-N 3.31Å; L72-N74 PolarHBondContact O-N 2.81Å; L72-E75 WeakPolarHBondContact O-CB 3.36Å; L72-E75 PolarHBondContact O-N 2.99Å; L72-L76 PolarHBondContact O-N 3.48Å; L72-W114 HydrophobicContact CD1-CH2 3.76Å; L72-W114 HydrophobicContact CD1-CZ2 3.67Å; L72-R129 HydrophobicContact CD1-CB 3.81Å; L72-R129 HydrophobicContact CD1-CG 4.02Å; L72-R129 HydrophobicContact CD2-CB 3.58Å; L72-R129 HydrophobicContact CG-CB 4.36Å; L72-I130 HydrophobicContact CD2-CG1 4.38Å
73	R	98.6	Very high	98.2	Very high	81 Å²	81	54.3 Å²	54.3	31%	0.306	28%	0.276	S	S	.	.	H	α-helix	trans	-60.7	-40.5	176.1	-167.7	-177.8	72.3	-167.4	-3.1	111.8	P33 L36 T37 L69 S70 K71 L76 L77	P33-R73 HydrophobicContact CB-CG 4.28Å; L36-R73 HydrophobicContact CB-CB 4.33Å; L36-R73 HydrophobicContact CB-CG 4.27Å; L36-R73 HydrophobicContact CD1-CB 3.91Å; L36-R73 HydrophobicContact CD1-CG 4.16Å; T37-R73 WeakPolarHBondContact OG1-CD 3.23Å; T37-R73 PolarHBondContact OG1-NH1 3.38Å; L69-R73 WeakPolarHBondContact O-CB 3.37Å; L69-R73 PolarHBondContact O-N 3.15Å; S70-R73 PolarHBondContact O-N 2.97Å; K71-R73 VanDerWaalsContact C-N 3.33Å; K71-R73 PolarHBondContact O-N 3.18Å; R73-L76 PolarHBondContact O-N 2.8Å; R73-L77 HydrophobicContact CG-CD1 4.14Å; R73-L77 WeakPolarHBondContact O-CB 3.01Å; R73-L77 VanDerWaalsContact O-CG 3.31Å; R73-L77 WeakPolarHBondContact O-CG 3.44Å; R73-L77 PolarHBondContact O-N 3.49Å
74	N	98.5	Very high	98.2	Very high	87 Å²	87	53.2 Å²	53.2	47%	0.465	28%	0.278	S	S	.	.	H	α-helix	trans	-68.6	-40.4	175.3	-179	79.7	0	0	0	112.3	S70 K71 L72 L76 L77 T78	S70-N74 PolarHBondContact O-N 3.18Å; S70-N74 VanDerWaalsContact O-N 3.09Å; K71-N74 WeakPolarHBondContact O-CB 3.28Å; K71-N74 PolarHBondContact O-N 2.91Å; K71-N74 VanDerWaalsContact O-N 3.1Å; L72-N74 VanDerWaalsContact C-N 3.31Å; L72-N74 PolarHBondContact O-N 2.81Å; N74-L76 VanDerWaalsContact C-N 3.27Å; N74-L76 PolarHBondContact O-N 2.96Å; N74-L77 PolarHBondContact O-N 2.63Å; N74-T78 WeakPolarHBondContact O-CB 3.34Å; N74-T78 PolarHBondContact O-N 3.47Å; N74-T78 PolarHBondContact O-OG1 3.3Å
75	E	98.6	Very high	98.2	Very high	11 Å²	11	47.8 Å²	47.8	5%	0.051	26%	0.258	C	S	.	.	H	α-helix	trans	-54.7	-46.5	173.2	-72.6	166.5	-172.5	0	0	110.4	K71 L72 D79 K80 W114 R129	K71-E75 WeakPolarHBondContact CD-OE1 3.44Å; K71-E75 WeakPolarHBondContact CE-OE1 3.33Å; K71-E75 IonicContact NZ-OE1 2.79Å; K71-E75 PolarHBondContact NZ-OE1 3.15Å; K71-E75 VanDerWaalsContact NZ-OE1 3.09Å; K71-E75 WeakPolarHBondContact O-CG 3.1Å; K71-E75 PolarHBondContact O-N 3.2Å; L72-E75 WeakPolarHBondContact O-CB 3.36Å; L72-E75 PolarHBondContact O-N 2.99Å; E75-D79 PolarHBondContact O-N 2.86Å; E75-K80 HydrophobicContact CB-CB 4.06Å; E75-K80 HydrophobicContact CB-CG 4.27Å; E75-K80 HydrophobicContact CG-CB 4.29Å; E75-K80 HydrophobicContact CG-CG 4.32Å; E75-K80 PolarHBondContact O-N 2.94Å; E75-W114 PolarHBondContact O-NE1 2.94Å; E75-R129 IonicContact OE2-CZ 3.35Å; E75-R129 IonicContact OE2-NH1 2.71Å; E75-R129 PolarHBondContact OE2-NH1 2.81Å; E75-R129 IonicContact OE2-NH2 3.7Å; E75-R129 PolarHBondContact OE2-NH2 3.38Å; E75-R129 VanDerWaalsContact OE2-NH2 3.15Å
76	L	98.1	Very high	98.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.4	-54.9	176.4	-174.3	166.9	0	0	0	112.4	V28 L32 P33 L36 L72 R73 N74 T78 D79 W114	V28-L76 HydrophobicContact CG1-CD2 4.49Å; V28-L76 WeakPolarHBondContact O-CD2 3.34Å; L32-L76 HydrophobicContact CB-CD1 3.58Å; L32-L76 HydrophobicContact CD1-CD1 4.14Å; P33-L76 HydrophobicContact CG-CD2 3.64Å; L36-L76 HydrophobicContact CD1-CD1 4.1Å; L72-L76 PolarHBondContact O-N 3.48Å; R73-L76 PolarHBondContact O-N 2.8Å; N74-L76 VanDerWaalsContact C-N 3.27Å; N74-L76 PolarHBondContact O-N 2.96Å; L76-T78 PolarHBondContact O-N 3.15Å; L76-D79 PolarHBondContact O-N 3.44Å; L76-W114 HydrophobicContact CB-CD2 3.82Å; L76-W114 HydrophobicContact CB-CE3 4.04Å; L76-W114 HydrophobicContact CB-CG 4.29Å; L76-W114 HydrophobicContact CB-CH2 4.34Å; L76-W114 HydrophobicContact CB-CZ2 4.14Å; L76-W114 HydrophobicContact CB-CZ3 4.3Å; L76-W114 HydrophobicContact CD1-CD2 4.47Å; L76-W114 HydrophobicContact CD1-CE3 3.84Å; L76-W114 HydrophobicContact CD1-CH2 4.37Å; L76-W114 HydrophobicContact CD1-CZ3 3.79Å; L76-W114 HydrophobicContact CG-CD2 3.82Å; L76-W114 HydrophobicContact CG-CE3 3.64Å; L76-W114 HydrophobicContact CG-CG 4.28Å; L76-W114 HydrophobicContact CG-CZ3 4.06Å
77	L	97.4	Very high	98	Very high	92 Å²	92	51.4 Å²	51.4	48%	0.482	28%	0.284	S	S	.	.	H	α-helix	trans	-63.7	-25	-175.8	-74.5	171.1	0	0	0	113.7	P33 R73 N74	P33-L77 HydrophobicContact CB-CD2 4.02Å; P33-L77 HydrophobicContact CB-CG 4.4Å; P33-L77 HydrophobicContact CG-CD2 3.57Å; P33-L77 HydrophobicContact CG-CG 4.14Å; R73-L77 HydrophobicContact CG-CD1 4.14Å; R73-L77 WeakPolarHBondContact O-CB 3.01Å; R73-L77 VanDerWaalsContact O-CG 3.31Å; R73-L77 WeakPolarHBondContact O-CG 3.44Å; R73-L77 PolarHBondContact O-N 3.49Å; N74-L77 PolarHBondContact O-N 2.63Å
78	T	97.4	Very high	97.9	Very high	70 Å²	70	52.7 Å²	52.7	43%	0.429	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	17.6	-178.3	62.1	0	0	0	0	113.2	N74 L76 K80	N74-T78 WeakPolarHBondContact O-CB 3.34Å; N74-T78 PolarHBondContact O-N 3.47Å; N74-T78 PolarHBondContact O-OG1 3.3Å; L76-T78 PolarHBondContact O-N 3.15Å; T78-K80 PolarHBondContact O-N 3.35Å; T78-K80 VanDerWaalsContact O-N 3.17Å; T78-K80 WeakPolarHBondContact OG1-CE 3.46Å; T78-K80 WeakPolarHBondContact OG1-CG 3.46Å
79	D	97.7	Very high	97.7	Very high	48 Å²	48	52.4 Å²	52.4	26%	0.257	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.5	43	179.4	-165.7	37.1	0	0	0	113.4	E75 L76 S113 W114 F115	E75-D79 PolarHBondContact O-N 2.86Å; L76-D79 PolarHBondContact O-N 3.44Å; D79-S113 VanDerWaalsContact CG-OG 3.31Å; D79-S113 WeakPolarHBondContact OD1-CB 3.49Å; D79-S113 PolarHBondContact OD1-OG 3Å; D79-S113 PolarHBondContact OD2-OG 2.96Å; D79-S113 VanDerWaalsContact OD2-OG 3.07Å; D79-W114 PolarHBondContact OD1-N 2.86Å; D79-F115 HydrophobicContact CB-CD2 3.77Å; D79-F115 HydrophobicContact CB-CE2 4.44Å; D79-F115 PolarHBondContact OD1-N 3.37Å
80	K	97.9	Very high	97.5	Very high	103 Å²	103	61 Å²	61	45%	0.448	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-65	153	177.2	-64.6	-62	-177.2	-174.3	0	110.6	E75 T78 V82 W114	E75-K80 HydrophobicContact CB-CB 4.06Å; E75-K80 HydrophobicContact CB-CG 4.27Å; E75-K80 HydrophobicContact CG-CB 4.29Å; E75-K80 HydrophobicContact CG-CG 4.32Å; E75-K80 PolarHBondContact O-N 2.94Å; T78-K80 PolarHBondContact O-N 3.35Å; T78-K80 VanDerWaalsContact O-N 3.17Å; T78-K80 WeakPolarHBondContact OG1-CE 3.46Å; T78-K80 WeakPolarHBondContact OG1-CG 3.46Å; K80-V82 PolarHBondContact O-N 2.87Å; K80-W114 PolarHBondContact O-NE1 2.84Å
81	P	97.3	Very high	97.4	Very high	61 Å²	61	59.7 Å²	59.7	40%	0.396	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-52.6	139.9	167.9	-27.3	36.3	0	0	0	111.8	P111 V112	P81-P111 HydrophobicContact CB-CB 4Å; P81-P111 HydrophobicContact CB-CG 4.44Å; P81-P111 HydrophobicContact CG-CB 4.05Å; P81-P111 HydrophobicContact CG-CG 3.98Å; P81-V112 WeakPolarHBondContact CA-O 3.39Å
82	V	97.1	Very high	97.3	Very high	14 Å²	14	54.5 Å²	54.5	9%	0.085	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-64	136.2	170.7	171.8	0	0	0	0	109	K80 L99 V112 Y121 Y125	K80-V82 PolarHBondContact O-N 2.87Å; V82-L99 HydrophobicContact CB-CD1 4.21Å; V82-L99 HydrophobicContact CG1-CD1 3.85Å; V82-L99 HydrophobicContact CG1-CD2 4.32Å; V82-V112 HydrophobicContact CB-CB 4.45Å; V82-V112 HydrophobicContact CB-CG1 3.99Å; V82-V112 HydrophobicContact CG2-CG1 3.93Å; V82-V112 PolarHBondContact N-O 2.82Å; V82-Y121 HydrophobicContact CG1-CE1 4.33Å; V82-Y121 WeakPolarHBondContact CG1-OH 3.22Å; V82-Y121 HydrophobicContact CG2-CE1 4.5Å; V82-Y125 HydrophobicContact CB-CE1 4.44Å; V82-Y125 HydrophobicContact CG1-CD1 4.08Å; V82-Y125 HydrophobicContact CG1-CD2 3.99Å; V82-Y125 HydrophobicContact CG1-CE1 3.71Å; V82-Y125 HydrophobicContact CG1-CE2 3.6Å; V82-Y125 HydrophobicContact CG1-CG 4.21Å; V82-Y125 VanDerWaalsContact CG1-CZ 3.44Å; V82-Y125 HydrophobicContact CG2-CD1 4.42Å; V82-Y125 HydrophobicContact CG2-CE1 4.33Å
83	L	97.5	Very high	97.3	Very high	73 Å²	73	60 Å²	60	38%	0.382	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-102.3	152.9	-177.4	-57.7	179.1	0	0	0	111	Y125	L83-Y125 PolarHBondContact N-OH 3.43Å; L83-Y125 WeakPolarHBondContact O-CE2 3.34Å; L83-Y125 PolarHBondContact O-OH 2.99Å
84	V	97.9	Very high	97.2	Very high	83 Å²	83	58.9 Å²	58.9	50%	0.503	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-62.8	144.4	169.3	-66.8	0	0	0	0	110.7	N96 L99	V84-N96 VanDerWaalsContact CA-OD1 3.27Å; V84-N96 WeakPolarHBondContact CA-OD1 3.37Å; V84-N96 WeakPolarHBondContact CB-OD1 3.37Å; V84-L99 HydrophobicContact CG1-CD2 4Å
85	L	98.3	Very high	97.2	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.021	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-77.1	144.9	170.9	-59.1	179	0	0	0	109.8	T92 W95 N96 Y125 R128 R129 E132	L85-T92 HydrophobicContact CB-CG2 3.99Å; L85-T92 WeakPolarHBondContact O-CG2 3.48Å; L85-W95 HydrophobicContact CD1-CB 3.49Å; L85-W95 VanDerWaalsContact CD1-CB 3.49Å; L85-W95 HydrophobicContact CD1-CD2 4.12Å; L85-W95 HydrophobicContact CD1-CG 3.6Å; L85-W95 HydrophobicContact CG-CB 4.43Å; L85-N96 PolarHBondContact N-OD1 3.47Å; L85-N96 PolarHBondContact O-ND2 2.83Å; L85-Y125 HydrophobicContact CD2-CE2 4.01Å; L85-R128 HydrophobicContact CD1-CG 3.45Å; L85-R128 VanDerWaalsContact CD1-CG 3.45Å; L85-R128 HydrophobicContact CD2-CG 4.42Å; L85-R129 HydrophobicContact CD2-CG 4.2Å; L85-E132 VanDerWaalsContact CA-OE1 3.27Å; L85-E132 WeakPolarHBondContact CA-OE1 3.21Å
86	C	97	Very high	97.2	Very high	92 Å²	92	55.5 Å²	55.5	62%	0.622	32%	0.321	S	S	*	.			trans	-137.3	12.3	-169.7	-62.9	0	0	0	0	113.9	E132	C86-E132 PolarHBondContact N-OE1 3.36Å
87	D	96.4	Very high	97.1	Very high	15 Å²	15	61.2 Å²	61.2	8%	0.08	35%	0.348	C	S	.	.	S	Bend	trans	-81.3	-14.2	-178.2	52.9	29.2	0	0	0	115.3	L89 T92 R128 E132 W135 L136	D87-L89 HydrophobicContact CB-CG 4.42Å; D87-L89 PolarHBondContact O-N 2.83Å; D87-L89 WeakPolarHBondContact OD1-CB 3.41Å; D87-L89 PolarHBondContact OD1-N 2.99Å; D87-T92 PolarHBondContact OD1-OG1 3.49Å; D87-R128 VanDerWaalsContact CG-NH2 3.33Å; D87-R128 IonicContact OD1-CZ 3.87Å; D87-R128 IonicContact OD1-NH1 3.73Å; D87-R128 IonicContact OD1-NH2 3.77Å; D87-R128 PolarHBondContact OD1-NH2 3.1Å; D87-R128 IonicContact OD2-CZ 2.81Å; D87-R128 VanDerWaalsContact OD2-CZ 3.26Å; D87-R128 IonicContact OD2-NH1 3.27Å; D87-R128 PolarHBondContact OD2-NH1 3.44Å; D87-R128 IonicContact OD2-NH2 3.41Å; D87-R128 PolarHBondContact OD2-NH2 3.39Å; D87-E132 HydrophobicContact CB-CG 4.05Å; D87-E132 WeakPolarHBondContact OD2-CA 3.45Å; D87-E132 WeakPolarHBondContact OD2-CB 3.38Å; D87-E132 WeakPolarHBondContact OD2-CG 3.4Å; D87-W135 HydrophobicContact CB-CG 4.34Å; D87-W135 PolarHBondContact O-NE1 2.82Å; D87-L136 HydrophobicContact CB-CD2 4Å; D87-L136 HydrophobicContact CB-CG 4.08Å
88	G	96.1	Very high	97.1	Very high	68 Å²	68	57.3 Å²	57.3	70%	0.701	33%	0.326	S	S	*	.			trans	72	17.6	178	0	0	0	0	0	113.8	T92	G88-T92 PolarHBondContact N-OG1 2.79Å
89	L	95.4	Very high	97.1	Very high	38 Å²	38	54.8 Å²	54.8	20%	0.199	31%	0.311	C	S	.	.			trans	-67.3	159.4	169.3	-70.6	176.7	0	0	0	111.2	D87 D91 T92 W135	D87-L89 HydrophobicContact CB-CG 4.42Å; D87-L89 PolarHBondContact O-N 2.83Å; D87-L89 WeakPolarHBondContact OD1-CB 3.41Å; D87-L89 PolarHBondContact OD1-N 2.99Å; L89-D91 PolarHBondContact O-N 2.84Å; L89-D91 VanDerWaalsContact O-N 3.09Å; L89-T92 PolarHBondContact N-OG1 3.16Å; L89-T92 WeakPolarHBondContact O-CB 3.49Å; L89-T92 PolarHBondContact O-N 3.09Å; L89-T92 PolarHBondContact O-OG1 2.85Å; L89-W135 HydrophobicContact CD1-CB 4.36Å; L89-W135 HydrophobicContact CD1-CD2 4.15Å; L89-W135 HydrophobicContact CD1-CG 4.05Å; L89-W135 HydrophobicContact CD2-CD2 3.59Å; L89-W135 HydrophobicContact CD2-CE3 3.91Å; L89-W135 HydrophobicContact CD2-CG 4.22Å; L89-W135 HydrophobicContact CD2-CH2 3.77Å; L89-W135 HydrophobicContact CD2-CZ2 3.44Å; L89-W135 VanDerWaalsContact CD2-CZ2 3.44Å; L89-W135 HydrophobicContact CD2-CZ3 4Å; L89-W135 HydrophobicContact CG-CD2 4.07Å; L89-W135 HydrophobicContact CG-CG 4.17Å; L89-W135 HydrophobicContact CG-CZ2 4.5Å
90	E	94.4	Very high	97	Very high	180 Å²	180	58.2 Å²	58.2	84%	0.841	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-36.3	-176.1	-175.5	-179.7	176.8	0	0	113.7
91	D	96.1	Very high	96.8	Very high	17 Å²	17	56.7 Å²	56.7	9%	0.091	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-6.1	-177.5	72.8	-12.7	0	0	0	114.4	L89 D93 S94 W95 R128 M346	L89-D91 PolarHBondContact O-N 2.84Å; L89-D91 VanDerWaalsContact O-N 3.09Å; D91-D93 PolarHBondContact O-N 2.96Å; D91-S94 PolarHBondContact O-N 2.78Å; D91-W95 VanDerWaalsContact O-CD1 3.25Å; D91-W95 PolarHBondContact O-N 2.87Å; D91-W95 VanDerWaalsContact OD2-CD1 3.3Å; D91-W95 PolarHBondContact OD2-NE1 3.23Å; D91-R128 IonicContact OD1-CZ 3.78Å; D91-R128 VanDerWaalsContact OD1-CZ 3.3Å; D91-R128 IonicContact OD1-NE 2.92Å; D91-R128 PolarHBondContact OD1-NE 3.32Å; D91-R128 IonicContact OD1-NH2 3.35Å; D91-R128 PolarHBondContact OD1-NH2 3.45Å; D91-R128 WeakPolarHBondContact OD2-CD 3.42Å; D91-R128 IonicContact OD2-CZ 3.93Å; D91-R128 IonicContact OD2-NE 2.92Å; D91-R128 PolarHBondContact OD2-NE 3.36Å; D91-M346 HydrophobicContact CB-SD 4.15Å
92	T	97.7	Very high	96.7	Very high	8 Å²	8	54.3 Å²	54.3	5%	0.049	30%	0.3	C	S	.	.	H	α-helix	trans	-55.8	-49.7	-172.1	-57.9	0	0	0	0	112.2	L85 D87 G88 L89 W95 N96	L85-T92 HydrophobicContact CB-CG2 3.99Å; L85-T92 WeakPolarHBondContact O-CG2 3.48Å; D87-T92 PolarHBondContact OD1-OG1 3.49Å; G88-T92 PolarHBondContact N-OG1 2.79Å; L89-T92 PolarHBondContact N-OG1 3.16Å; L89-T92 WeakPolarHBondContact O-CB 3.49Å; L89-T92 PolarHBondContact O-N 3.09Å; L89-T92 PolarHBondContact O-OG1 2.85Å; T92-W95 PolarHBondContact O-N 3.07Å; T92-N96 WeakPolarHBondContact O-CB 3.13Å; T92-N96 PolarHBondContact O-N 3.3Å; T92-N96 PolarHBondContact O-ND2 3.27Å
93	D	97.6	Very high	96.5	Very high	116 Å²	116	56.5 Å²	56.5	62%	0.62	31%	0.309	S	S	*	.	H	α-helix	trans	-66.1	-41.7	-177.3	-76.1	-17.9	0	0	0	111.1	D91 W95 N96 Q97	D91-D93 PolarHBondContact O-N 2.96Å; D93-W95 VanDerWaalsContact C-N 3.33Å; D93-W95 PolarHBondContact O-N 2.7Å; D93-N96 PolarHBondContact O-N 2.89Å; D93-Q97 WeakPolarHBondContact O-CB 3.13Å; D93-Q97 VanDerWaalsContact O-CG 3.25Å; D93-Q97 WeakPolarHBondContact O-CG 3.43Å; D93-Q97 PolarHBondContact O-N 3.17Å
94	S	96.7	Very high	96.3	Very high	56 Å²	56	62.2 Å²	62.2	39%	0.392	33%	0.326	S	S	.	.	H	α-helix	trans	-62	-39.8	176.8	-59.1	0	0	0	0	111.8	D91 Q97 Y98	D91-S94 PolarHBondContact O-N 2.78Å; S94-Q97 PolarHBondContact O-N 3.06Å; S94-Y98 PolarHBondContact O-N 3.06Å
95	W	98.3	Very high	95.8	Very high	3 Å²	3	64.1 Å²	64.1	1%	0.011	33%	0.332	C	S	.	.	H	α-helix	trans	-65.3	-43.7	174.6	-89.4	102.4	0	0	0	112.5	L85 D91 T92 D93 Q97 Y98 L99 Y121 C124 Y125 R128 W295 T345 M346 P347	L85-W95 HydrophobicContact CD1-CB 3.49Å; L85-W95 VanDerWaalsContact CD1-CB 3.49Å; L85-W95 HydrophobicContact CD1-CD2 4.12Å; L85-W95 HydrophobicContact CD1-CG 3.6Å; L85-W95 HydrophobicContact CG-CB 4.43Å; D91-W95 VanDerWaalsContact O-CD1 3.25Å; D91-W95 PolarHBondContact O-N 2.87Å; D91-W95 VanDerWaalsContact OD2-CD1 3.3Å; D91-W95 PolarHBondContact OD2-NE1 3.23Å; T92-W95 PolarHBondContact O-N 3.07Å; D93-W95 VanDerWaalsContact C-N 3.33Å; D93-W95 PolarHBondContact O-N 2.7Å; W95-Q97 VanDerWaalsContact C-N 3.34Å; W95-Y98 PolarHBondContact O-N 3.29Å; W95-L99 PolarHBondContact O-N 3.18Å; W95-Y121 HydrophobicContact CE3-CE2 4.33Å; W95-Y121 HydrophobicContact CZ3-CD2 4.47Å; W95-Y121 HydrophobicContact CZ3-CE2 4.05Å; W95-C124 HydrophobicContact CH2-CB 3.76Å; W95-Y125 HydrophobicContact CZ3-CD2 4.42Å; W95-R128 HydrophobicContact CD2-CG 4.05Å; W95-R128 HydrophobicContact CG-CG 4.36Å; W95-R128 HydrophobicContact CH2-CB 3.87Å; W95-R128 HydrophobicContact CH2-CG 4.43Å; W95-R128 HydrophobicContact CZ2-CB 3.54Å; W95-R128 HydrophobicContact CZ2-CG 3.79Å; W95-R128 HydrophobicContact CZ3-CB 4.49Å; W95-W295 HydrophobicContact CH2-CH2 4.22Å; W95-W295 HydrophobicContact CZ2-CH2 4.05Å; W95-T345 WeakPolarHBondContact CZ2-O 3.3Å; W95-M346 HydrophobicContact CB-CE 4.49Å; W95-M346 HydrophobicContact CD2-CE 4.26Å; W95-M346 HydrophobicContact CD2-SD 4.33Å; W95-M346 HydrophobicContact CG-CE 3.93Å; W95-M346 HydrophobicContact CG-SD 4.13Å; W95-M346 PolarHBondContact NE1-SD 2.91Å; W95-P347 HydrophobicContact CE3-CG 3.84Å; W95-P347 HydrophobicContact CH2-CB 4.02Å; W95-P347 HydrophobicContact CH2-CG 3.91Å; W95-P347 HydrophobicContact CZ3-CB 3.89Å; W95-P347 HydrophobicContact CZ3-CG 3.51Å
96	N	98.3	Very high	95.1	Very high	24 Å²	24	66.4 Å²	66.4	13%	0.128	34%	0.344	C	S	.	.	H	α-helix	trans	-66.9	-36.1	178.4	-73.8	-26.7	0	0	0	111.6	V84 L85 T92 D93 L99 Q100	V84-N96 VanDerWaalsContact CA-OD1 3.27Å; V84-N96 WeakPolarHBondContact CA-OD1 3.37Å; V84-N96 WeakPolarHBondContact CB-OD1 3.37Å; L85-N96 PolarHBondContact N-OD1 3.47Å; L85-N96 PolarHBondContact O-ND2 2.83Å; T92-N96 WeakPolarHBondContact O-CB 3.13Å; T92-N96 PolarHBondContact O-N 3.3Å; T92-N96 PolarHBondContact O-ND2 3.27Å; D93-N96 PolarHBondContact O-N 2.89Å; N96-L99 WeakPolarHBondContact O-CB 3.43Å; N96-L99 PolarHBondContact O-N 3.28Å; N96-Q100 WeakPolarHBondContact O-CG 3.41Å; N96-Q100 PolarHBondContact O-N 3.43Å; N96-Q100 VanDerWaalsContact O-N 3.1Å
97	Q	96.9	Very high	94.4	Very high	121 Å²	121	63.3 Å²	63.3	57%	0.565	33%	0.329	S	S	*	.	H	α-helix	trans	-64.5	-39.2	170.7	-71.7	173.4	26.9	0	0	111.8	D93 S94 W95 Q100 R101	D93-Q97 WeakPolarHBondContact O-CB 3.13Å; D93-Q97 VanDerWaalsContact O-CG 3.25Å; D93-Q97 WeakPolarHBondContact O-CG 3.43Å; D93-Q97 PolarHBondContact O-N 3.17Å; S94-Q97 PolarHBondContact O-N 3.06Å; W95-Q97 VanDerWaalsContact C-N 3.34Å; Q97-Q100 WeakPolarHBondContact O-CB 3.47Å; Q97-Q100 PolarHBondContact O-N 3.17Å; Q97-R101 PolarHBondContact O-N 2.86Å
98	Y	96.8	Very high	93.3	Very high	9 Å²	9	72.1 Å²	72.1	4%	0.035	37%	0.369	C	S	.	.	H	α-helix	trans	-66.4	-38.7	175.1	-162.9	-96	0	0	0	112.3	S94 W95 Q100 R101 Q102 Y121 P347 H348	S94-Y98 PolarHBondContact O-N 3.06Å; W95-Y98 PolarHBondContact O-N 3.29Å; Y98-Q100 VanDerWaalsContact C-N 3.3Å; Y98-Q100 PolarHBondContact O-N 3.03Å; Y98-R101 WeakPolarHBondContact O-CA 3.49Å; Y98-R101 WeakPolarHBondContact O-CB 3.45Å; Y98-R101 PolarHBondContact O-N 2.9Å; Y98-R101 VanDerWaalsContact O-N 3.09Å; Y98-Q102 HydrophobicContact CD1-CG 3.9Å; Y98-Q102 HydrophobicContact CE1-CG 3.81Å; Y98-Q102 VanDerWaalsContact CZ-NE2 3.35Å; Y98-Q102 WeakPolarHBondContact O-CG 3.35Å; Y98-Q102 PolarHBondContact O-N 3.3Å; Y98-Q102 PolarHBondContact OH-NE2 2.92Å; Y98-Y121 AromaticContact CD1-CD2 3.62Å; Y98-Y121 HydrophobicContact CD1-CD2 3.62Å; Y98-Y121 AromaticContact CD1-CE2 3.67Å; Y98-Y121 HydrophobicContact CD1-CE2 3.67Å; Y98-Y121 AromaticContact CE1-CD2 3.57Å; Y98-Y121 HydrophobicContact CE1-CD2 3.57Å; Y98-Y121 HydrophobicContact CE1-CE2 4.13Å; Y98-Y121 HydrophobicContact CE1-CG 4.2Å; Y98-P347 HydrophobicContact CD1-CB 4.09Å; Y98-P347 HydrophobicContact CD1-CG 3.29Å; Y98-P347 HydrophobicContact CD2-CG 4.34Å; Y98-P347 HydrophobicContact CE1-CB 3.77Å; Y98-P347 HydrophobicContact CE1-CG 3.47Å; Y98-P347 VanDerWaalsContact CE1-CG 3.47Å; Y98-P347 HydrophobicContact CG-CG 3.73Å; Y98-P347 PolarHBondContact OH-O 3.33Å; Y98-P347 VanDerWaalsContact OH-O 3.04Å; Y98-H348 AromaticContact CD2-CD2 3.59Å; Y98-H348 AromaticContact CD2-CE1 3.63Å; Y98-H348 AromaticContact CD2-NE2 3.24Å; Y98-H348 WeakPolarHBondContact CD2-NE2 3.35Å; Y98-H348 AromaticContact CE2-CD2 3.51Å; Y98-H348 AromaticContact CE2-CG 3.89Å; Y98-H348 AromaticContact CE2-NE2 3.71Å
99	L	97.1	Very high	92.3	Very high	18 Å²	18	80.3 Å²	80.3	9%	0.094	38%	0.379	C	S	.	.	H	α-helix	trans	-57.1	-44.1	171	172.8	58	0	0	0	111.1	V82 V84 W95 N96 R101 Q102 Q103 V112 Y121	V82-L99 HydrophobicContact CB-CD1 4.21Å; V82-L99 HydrophobicContact CG1-CD1 3.85Å; V82-L99 HydrophobicContact CG1-CD2 4.32Å; V84-L99 HydrophobicContact CG1-CD2 4Å; W95-L99 PolarHBondContact O-N 3.18Å; N96-L99 WeakPolarHBondContact O-CB 3.43Å; N96-L99 PolarHBondContact O-N 3.28Å; L99-R101 VanDerWaalsContact C-N 3.34Å; L99-R101 PolarHBondContact O-N 2.53Å; L99-Q102 PolarHBondContact O-N 3.1Å; L99-Q103 PolarHBondContact O-N 2.65Å; L99-V112 HydrophobicContact CD1-CB 3.8Å; L99-V112 HydrophobicContact CD1-CG1 3.77Å; L99-V112 HydrophobicContact CD1-CG2 3.92Å; L99-Y121 WeakPolarHBondContact CD1-OH 3.49Å
100	Q	96	Very high	91.8	Very high	120 Å²	120	82 Å²	82	56%	0.561	39%	0.388	S	S	*	.	H	α-helix	trans	-64.2	-36.6	174.7	-65.6	171	15.1	0	0	112.4	N96 Q97 Y98 Q103 R104	N96-Q100 WeakPolarHBondContact O-CG 3.41Å; N96-Q100 PolarHBondContact O-N 3.43Å; N96-Q100 VanDerWaalsContact O-N 3.1Å; Q97-Q100 WeakPolarHBondContact O-CB 3.47Å; Q97-Q100 PolarHBondContact O-N 3.17Å; Y98-Q100 VanDerWaalsContact C-N 3.3Å; Y98-Q100 PolarHBondContact O-N 3.03Å; Q100-Q103 PolarHBondContact O-N 2.86Å; Q100-R104 WeakPolarHBondContact O-CG 3.48Å; Q100-R104 PolarHBondContact O-N 3.3Å; Q100-R104 PolarHBondContact O-NE 3.5Å
101	R	94.4	Very high	91.7	Very high	70 Å²	70	76.3 Å²	76.3	26%	0.264	37%	0.366	S	S	.	.	H	α-helix	trans	-60.3	-46.6	171.3	178.7	179.3	172.8	175.8	-6.9	110.7	Q97 Y98 L99 R104 L105 D352 D356	Q97-R101 PolarHBondContact O-N 2.86Å; Y98-R101 WeakPolarHBondContact O-CA 3.49Å; Y98-R101 WeakPolarHBondContact O-CB 3.45Å; Y98-R101 PolarHBondContact O-N 2.9Å; Y98-R101 VanDerWaalsContact O-N 3.09Å; L99-R101 VanDerWaalsContact C-N 3.34Å; L99-R101 PolarHBondContact O-N 2.53Å; R101-R104 PolarHBondContact O-N 3.33Å; R101-L105 WeakPolarHBondContact O-CG 3.49Å; R101-L105 PolarHBondContact O-N 3.46Å; R101-L105 VanDerWaalsContact O-N 3.16Å; R101-D352 IonicContact CZ-OD1 2.93Å; R101-D352 IonicContact CZ-OD2 2.71Å; R101-D352 VanDerWaalsContact CZ-OD2 3.3Å; R101-D352 IonicContact NH1-OD1 2.7Å; R101-D352 IonicContact NH1-OD2 3.95Å; R101-D352 PolarHBondContact NH1-OD2 2.89Å; R101-D352 VanDerWaalsContact NH1-OD2 3.15Å; R101-D352 IonicContact NH2-OD1 3.18Å; R101-D352 PolarHBondContact NH2-OD1 2.95Å; R101-D352 IonicContact NH2-OD2 3.5Å; R101-D352 PolarHBondContact NH2-OD2 3.01Å; R101-D356 IonicContact NH1-OD2 3.26Å; R101-D356 PolarHBondContact NH1-OD2 3.44Å
102	Q	94.3	Very high	91.6	Very high	11 Å²	11	75.6 Å²	75.6	5%	0.051	36%	0.363	C	S	.	.	H	α-helix	trans	-63.6	-42.7	177.1	-66.5	-58.5	-35.5	0	0	112.3	Y98 L99 R104 L105 L106 V112 Y121	Y98-Q102 HydrophobicContact CD1-CG 3.9Å; Y98-Q102 HydrophobicContact CE1-CG 3.81Å; Y98-Q102 VanDerWaalsContact CZ-NE2 3.35Å; Y98-Q102 WeakPolarHBondContact O-CG 3.35Å; Y98-Q102 PolarHBondContact O-N 3.3Å; Y98-Q102 PolarHBondContact OH-NE2 2.92Å; L99-Q102 PolarHBondContact O-N 3.1Å; Q102-R104 VanDerWaalsContact C-N 3.32Å; Q102-R104 PolarHBondContact O-N 3.32Å; Q102-L105 PolarHBondContact O-N 3.25Å; Q102-L105 VanDerWaalsContact O-N 3.09Å; Q102-L106 PolarHBondContact O-N 2.99Å; Q102-V112 HydrophobicContact CB-CG1 4.42Å; Q102-V112 HydrophobicContact CB-CG2 3.88Å; Q102-Y121 HydrophobicContact CG-CD1 4.13Å; Q102-Y121 HydrophobicContact CG-CD2 4.43Å; Q102-Y121 HydrophobicContact CG-CE1 4.29Å; Q102-Y121 HydrophobicContact CG-CG 4.2Å
103	Q	93.9	Very high	91.6	Very high	61 Å²	61	75.3 Å²	75.3	29%	0.285	36%	0.361	S	S	.	.	H	α-helix	trans	-61.1	-41.1	176.8	-171.9	61.9	62.9	0	0	111.7	L99 Q100 L105 L106 G107 D110 V112	L99-Q103 PolarHBondContact O-N 2.65Å; Q100-Q103 PolarHBondContact O-N 2.86Å; Q103-L105 VanDerWaalsContact C-N 3.29Å; Q103-L105 PolarHBondContact O-N 3.2Å; Q103-L106 PolarHBondContact O-N 2.66Å; Q103-G107 PolarHBondContact NE2-O 3.37Å; Q103-G107 PolarHBondContact O-N 3.18Å; Q103-D110 PolarHBondContact NE2-O 2.9Å; Q103-V112 HydrophobicContact CB-CG2 3.97Å
104	R	91.9	Very high	91.6	Very high	192 Å²	192	69.9 Å²	69.9	73%	0.725	33%	0.332	S	S	*	.	H	α-helix	trans	-63.3	-33	174.9	-75.3	-177.1	-69.4	172.1	-2.3	112.9	Q100 R101 Q102	Q100-R104 WeakPolarHBondContact O-CG 3.48Å; Q100-R104 PolarHBondContact O-N 3.3Å; Q100-R104 PolarHBondContact O-NE 3.5Å; R101-R104 PolarHBondContact O-N 3.33Å; Q102-R104 VanDerWaalsContact C-N 3.32Å; Q102-R104 PolarHBondContact O-N 3.32Å
105	L	87.4	Confident	91.6	Very high	123 Å²	123	68.9 Å²	68.9	64%	0.644	32%	0.321	S	S	*	.	H	α-helix	trans	-74.6	-36.2	178.3	-69.2	171.9	0	0	0	112.7	R101 Q102 Q103	R101-L105 WeakPolarHBondContact O-CG 3.49Å; R101-L105 PolarHBondContact O-N 3.46Å; R101-L105 VanDerWaalsContact O-N 3.16Å; Q102-L105 PolarHBondContact O-N 3.25Å; Q102-L105 VanDerWaalsContact O-N 3.09Å; Q103-L105 VanDerWaalsContact C-N 3.29Å; Q103-L105 PolarHBondContact O-N 3.2Å
106	L	84.6	Confident	91.3	Very high	52 Å²	52	72.3 Å²	72.3	27%	0.272	34%	0.336	S	S	.	.	H	α-helix	trans	-77.7	-25.5	175.6	-73.3	169.1	0	0	0	112.9	Q102 Q103 V112	Q102-L106 PolarHBondContact O-N 2.99Å; Q103-L106 PolarHBondContact O-N 2.66Å; L106-V112 HydrophobicContact CD1-CB 4.32Å; L106-V112 HydrophobicContact CD1-CG2 3.83Å
107	G	81.3	Confident	91.2	Very high	28 Å²	28	71.2 Å²	71.2	29%	0.289	33%	0.33	S	S	.	.			trans	92.1	175.9	-175.5	0	0	0	0	0	112.8	Q103 R109	Q103-G107 PolarHBondContact NE2-O 3.37Å; Q103-G107 PolarHBondContact O-N 3.18Å; G107-R109 VanDerWaalsContact C-N 3.31Å; G107-R109 PolarHBondContact O-N 3.45Å
108	E	74.4	Confident	91.2	Very high	199 Å²	199	66.5 Å²	66.5	93%	0.93	31%	0.31	S	S	*	.	S	Bend	trans	-78.6	-10.6	-172	-64	-178.6	172.7	0	0	114.5
109	R	75.3	Confident	91.2	Very high	241 Å²	241	66.3 Å²	66.3	91%	0.909	31%	0.309	S	S	*	.	S	Bend	trans	-88	-29.8	-171.6	-67.4	-174.4	-179.1	-175.7	0.4	114	G107	G107-R109 VanDerWaalsContact C-N 3.31Å; G107-R109 PolarHBondContact O-N 3.45Å
110	D	83.7	Confident	91.3	Very high	74 Å²	74	65.7 Å²	65.7	40%	0.396	31%	0.306	S	S	.	.	S	Bend	trans	-118.8	125.6	-177.7	-81.3	-70	0	0	0	109.8	Q103 K116	Q103-D110 PolarHBondContact NE2-O 2.9Å; D110-K116 IonicContact OD1-NZ 3.09Å; D110-K116 PolarHBondContact OD1-NZ 2.76Å
111	P	92.4	Very high	91.4	Very high	59 Å²	59	60.1 Å²	60.1	38%	0.383	28%	0.28	S	S	.	.			trans	-68.1	148.9	173	29.4	-33.5	0	0	0	110.5	P81 S113	P81-P111 HydrophobicContact CB-CB 4Å; P81-P111 HydrophobicContact CB-CG 4.44Å; P81-P111 HydrophobicContact CG-CB 4.05Å; P81-P111 HydrophobicContact CG-CG 3.98Å; P111-S113 PolarHBondContact O-N 3.15Å
112	V	95.7	Very high	91.6	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.012	27%	0.267	C	S	.	.			trans	-56.8	118.3	164.3	178.4	0	0	0	0	108.3	P81 V82 L99 Q102 Q103 L106 S117 Y121	P81-V112 WeakPolarHBondContact CA-O 3.39Å; V82-V112 HydrophobicContact CB-CB 4.45Å; V82-V112 HydrophobicContact CB-CG1 3.99Å; V82-V112 HydrophobicContact CG2-CG1 3.93Å; V82-V112 PolarHBondContact N-O 2.82Å; L99-V112 HydrophobicContact CD1-CB 3.8Å; L99-V112 HydrophobicContact CD1-CG1 3.77Å; L99-V112 HydrophobicContact CD1-CG2 3.92Å; Q102-V112 HydrophobicContact CB-CG1 4.42Å; Q102-V112 HydrophobicContact CB-CG2 3.88Å; Q103-V112 HydrophobicContact CB-CG2 3.97Å; L106-V112 HydrophobicContact CD1-CB 4.32Å; L106-V112 HydrophobicContact CD1-CG2 3.83Å; V112-S117 WeakPolarHBondContact CG1-OG 3.26Å; V112-Y121 HydrophobicContact CG1-CD1 4.19Å; V112-Y121 HydrophobicContact CG1-CE1 3.53Å
113	S	96.4	Very high	91.8	Very high	3 Å²	3	57 Å²	57	2%	0.021	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-136.2	170.1	-179	78.3	0	0	0	0	112.1	D79 P111 F115 K116 S117	D79-S113 VanDerWaalsContact CG-OG 3.31Å; D79-S113 WeakPolarHBondContact OD1-CB 3.49Å; D79-S113 PolarHBondContact OD1-OG 3Å; D79-S113 PolarHBondContact OD2-OG 2.96Å; D79-S113 VanDerWaalsContact OD2-OG 3.07Å; P111-S113 PolarHBondContact O-N 3.15Å; S113-F115 PolarHBondContact O-N 3.12Å; S113-K116 PolarHBondContact O-N 3.22Å; S113-K116 WeakPolarHBondContact OG-CB 3.31Å; S113-S117 PolarHBondContact N-OG 3Å; S113-S117 VanDerWaalsContact N-OG 3.07Å; S113-S117 WeakPolarHBondContact O-CB 3.47Å; S113-S117 PolarHBondContact O-N 3.16Å; S113-S117 VanDerWaalsContact O-N 3.11Å; S113-S117 PolarHBondContact O-OG 2.92Å
114	W	97.8	Very high	92	Very high	1 Å²	1	54 Å²	54	0%	0.004	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-41.9	-172.9	-63.9	91.7	0	0	0	113.7	V28 L72 E75 L76 D79 K80 I122 Y125 M126	V28-W114 HydrophobicContact CG1-CB 4.41Å; L72-W114 HydrophobicContact CD1-CH2 3.76Å; L72-W114 HydrophobicContact CD1-CZ2 3.67Å; E75-W114 PolarHBondContact O-NE1 2.94Å; L76-W114 HydrophobicContact CB-CD2 3.82Å; L76-W114 HydrophobicContact CB-CE3 4.04Å; L76-W114 HydrophobicContact CB-CG 4.29Å; L76-W114 HydrophobicContact CB-CH2 4.34Å; L76-W114 HydrophobicContact CB-CZ2 4.14Å; L76-W114 HydrophobicContact CB-CZ3 4.3Å; L76-W114 HydrophobicContact CD1-CD2 4.47Å; L76-W114 HydrophobicContact CD1-CE3 3.84Å; L76-W114 HydrophobicContact CD1-CH2 4.37Å; L76-W114 HydrophobicContact CD1-CZ3 3.79Å; L76-W114 HydrophobicContact CG-CD2 3.82Å; L76-W114 HydrophobicContact CG-CE3 3.64Å; L76-W114 HydrophobicContact CG-CG 4.28Å; L76-W114 HydrophobicContact CG-CZ3 4.06Å; D79-W114 PolarHBondContact OD1-N 2.86Å; K80-W114 PolarHBondContact O-NE1 2.84Å; W114-I122 HydrophobicContact CE3-CB 4.27Å; W114-Y125 AromaticContact CH2-CD1 3.71Å; W114-Y125 HydrophobicContact CH2-CD1 3.71Å; W114-Y125 AromaticContact CH2-CE1 3.94Å; W114-Y125 HydrophobicContact CH2-CE1 3.94Å; W114-Y125 HydrophobicContact CZ2-CD1 4.06Å; W114-Y125 AromaticContact CZ2-CE1 3.87Å; W114-Y125 HydrophobicContact CZ2-CE1 3.87Å; W114-Y125 HydrophobicContact CZ3-CD1 4.24Å; W114-M126 HydrophobicContact CH2-CB 4.31Å; W114-M126 HydrophobicContact CZ3-CB 4.02Å
115	F	96	Very high	92.3	Very high	36 Å²	36	45 Å²	45	16%	0.158	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-23.4	-177.4	-74.6	-100.4	0	0	0	112.8	A17 K18 Y25 V28 R29 D79 S113	A17-F115 CarbonylContact C-O 3.53Å; A17-F115 HydrophobicContact CB-CB 4.44Å; A17-F115 HydrophobicContact CB-CD1 3.94Å; A17-F115 HydrophobicContact CB-CG 4.41Å; K18-F115 WeakPolarHBondContact CG-O 3.27Å; K18-F115 PolarHBondContact N-O 3.02Å; Y25-F115 AromaticContact CD2-CD1 3.87Å; Y25-F115 HydrophobicContact CD2-CD1 3.87Å; Y25-F115 AromaticContact CD2-CE1 3.85Å; Y25-F115 HydrophobicContact CD2-CE1 3.85Å; Y25-F115 AromaticContact CE2-CD1 3.88Å; Y25-F115 HydrophobicContact CE2-CD1 3.88Å; Y25-F115 AromaticContact CE2-CE1 3.65Å; Y25-F115 HydrophobicContact CE2-CE1 3.65Å; V28-F115 HydrophobicContact CG1-CD1 4.41Å; V28-F115 HydrophobicContact CG1-CD2 4.2Å; V28-F115 HydrophobicContact CG1-CE1 4.19Å; V28-F115 HydrophobicContact CG1-CE2 3.97Å; V28-F115 HydrophobicContact CG1-CG 4.42Å; V28-F115 HydrophobicContact CG1-CZ 3.97Å; R29-F115 HydrophobicContact CB-CE1 4.18Å; R29-F115 HydrophobicContact CB-CZ 4.23Å; D79-F115 HydrophobicContact CB-CD2 3.77Å; D79-F115 HydrophobicContact CB-CE2 4.44Å; D79-F115 PolarHBondContact OD1-N 3.37Å; S113-F115 PolarHBondContact O-N 3.12Å
116	K	92.4	Very high	92.9	Very high	75 Å²	75	39.2 Å²	39.2	33%	0.326	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-14.3	-174.3	-64	-179.8	179.1	179.4	0	115	K18 D110 S113	K18-K116 VanDerWaalsContact CE-C 3.42Å; K18-K116 VanDerWaalsContact CE-CA 3.4Å; K18-K116 WeakPolarHBondContact CE-O 3.47Å; K18-K116 PolarHBondContact NZ-O 3.17Å; K18-K116 VanDerWaalsContact NZ-O 3.15Å; D110-K116 IonicContact OD1-NZ 3.09Å; D110-K116 PolarHBondContact OD1-NZ 2.76Å; S113-K116 PolarHBondContact O-N 3.22Å; S113-K116 WeakPolarHBondContact OG-CB 3.31Å
117	S	95.8	Very high	93.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-94	166.3	-175.6	-50.5	0	0	0	0	110.9	S16 V112 S113 W119	S16-S117 VanDerWaalsContact CB-O 3.31Å; S16-S117 WeakPolarHBondContact CB-O 3.37Å; V112-S117 WeakPolarHBondContact CG1-OG 3.26Å; S113-S117 PolarHBondContact N-OG 3Å; S113-S117 VanDerWaalsContact N-OG 3.07Å; S113-S117 WeakPolarHBondContact O-CB 3.47Å; S113-S117 PolarHBondContact O-N 3.16Å; S113-S117 VanDerWaalsContact O-N 3.11Å; S113-S117 PolarHBondContact O-OG 2.92Å; S117-W119 PolarHBondContact O-N 3.15Å
118	P	97.1	Very high	94.4	Very high	23 Å²	23	35.9 Å²	35.9	15%	0.149	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-51	134.7	172.5	-29.2	37.9	0	0	0	111.7	L120 Y121 I122	P118-L120 PolarHBondContact O-N 3.16Å; P118-Y121 WeakPolarHBondContact O-CB 3.4Å; P118-Y121 PolarHBondContact O-N 2.65Å; P118-Y121 VanDerWaalsContact O-N 3.07Å; P118-I122 PolarHBondContact O-N 2.7Å
119	W	98.1	Very high	95.5	Very high	5 Å²	5	26.7 Å²	26.7	2%	0.019	12%	0.122	C	C	.	.	H	α-helix	trans	-58.6	-47.1	-177.3	177.6	30.5	0	0	0	111.5	L15 F23 A24 T27 S117 Y121 I122 E123 R379 A413	L15-W119 HydrophobicContact CB-CB 4.45Å; L15-W119 HydrophobicContact CB-CE3 4.11Å; L15-W119 HydrophobicContact CD1-CE3 4.12Å; L15-W119 HydrophobicContact CD1-CZ3 4.22Å; L15-W119 WeakPolarHBondContact O-CB 3.31Å; L15-W119 PolarHBondContact O-N 3.02Å; F23-W119 AromaticContact CD1-CH2 3.62Å; F23-W119 HydrophobicContact CD1-CH2 3.62Å; F23-W119 HydrophobicContact CD1-CZ2 4Å; F23-W119 HydrophobicContact CD1-CZ3 4.42Å; F23-W119 AromaticContact CE1-CH2 3.83Å; F23-W119 HydrophobicContact CE1-CH2 3.83Å; F23-W119 HydrophobicContact CE1-CZ2 4.09Å; A24-W119 HydrophobicContact CB-CB 4.02Å; A24-W119 HydrophobicContact CB-CD2 3.63Å; A24-W119 HydrophobicContact CB-CE3 3.87Å; A24-W119 HydrophobicContact CB-CG 3.7Å; T27-W119 HydrophobicContact CG2-CZ2 4.04Å; S117-W119 PolarHBondContact O-N 3.15Å; W119-Y121 VanDerWaalsContact C-N 3.27Å; W119-Y121 PolarHBondContact O-N 3.42Å; W119-I122 WeakPolarHBondContact O-CG1 3.45Å; W119-I122 PolarHBondContact O-N 2.88Å; W119-E123 PolarHBondContact NE1-OE1 2.81Å; W119-E123 PolarHBondContact NE1-OE2 2.99Å; W119-E123 VanDerWaalsContact NE1-OE2 3.1Å; W119-E123 WeakPolarHBondContact O-CG 3.28Å; W119-E123 PolarHBondContact O-N 3.26Å; W119-E123 VanDerWaalsContact O-N 3.1Å; W119-R379 VanDerWaalsContact CD2-NH2 3.34Å; W119-A413 HydrophobicContact CH2-CB 3.7Å; W119-A413 HydrophobicContact CZ3-CB 3.7Å
120	L	98.3	Very high	96.6	Very high	5 Å²	5	15.4 Å²	15.4	3%	0.026	8%	0.079	C	C	.	.	H	α-helix	trans	-49.9	-46.4	172.2	-178.7	62.9	0	0	0	112.8	P118 C124 E349 L376 K380 D384	P118-L120 PolarHBondContact O-N 3.16Å; L120-C124 WeakPolarHBondContact O-CB 3.27Å; L120-C124 PolarHBondContact O-N 2.86Å; L120-C124 VanDerWaalsContact O-N 3.15Å; L120-C124 PolarHBondContact O-SG 2.98Å; L120-E349 HydrophobicContact CD2-CG 4.29Å; L120-L376 HydrophobicContact CD1-CD1 3.71Å; L120-K380 HydrophobicContact CD1-CG 3.93Å; L120-K380 HydrophobicContact CD2-CG 4.1Å; L120-D384 HydrophobicContact CB-CB 3.85Å; L120-D384 WeakPolarHBondContact CB-OD2 3.39Å; L120-D384 HydrophobicContact CD2-CB 4.25Å; L120-D384 PolarHBondContact N-OD2 3.12Å; L120-D384 VanDerWaalsContact N-OD2 3.09Å
121	Y	98.1	Very high	97.3	Very high	3 Å²	3	13 Å²	13	1%	0.012	7%	0.066	C	C	.	.	H	α-helix	trans	-64.6	-50.9	-177.3	171.8	-117.7	0	0	0	112.1	V82 W95 Y98 L99 Q102 V112 P118 W119 E123 C124 Y125 P347	V82-Y121 HydrophobicContact CG1-CE1 4.33Å; V82-Y121 WeakPolarHBondContact CG1-OH 3.22Å; V82-Y121 HydrophobicContact CG2-CE1 4.5Å; W95-Y121 HydrophobicContact CE3-CE2 4.33Å; W95-Y121 HydrophobicContact CZ3-CD2 4.47Å; W95-Y121 HydrophobicContact CZ3-CE2 4.05Å; Y98-Y121 AromaticContact CD1-CD2 3.62Å; Y98-Y121 HydrophobicContact CD1-CD2 3.62Å; Y98-Y121 AromaticContact CD1-CE2 3.67Å; Y98-Y121 HydrophobicContact CD1-CE2 3.67Å; Y98-Y121 AromaticContact CE1-CD2 3.57Å; Y98-Y121 HydrophobicContact CE1-CD2 3.57Å; Y98-Y121 HydrophobicContact CE1-CE2 4.13Å; Y98-Y121 HydrophobicContact CE1-CG 4.2Å; L99-Y121 WeakPolarHBondContact CD1-OH 3.49Å; Q102-Y121 HydrophobicContact CG-CD1 4.13Å; Q102-Y121 HydrophobicContact CG-CD2 4.43Å; Q102-Y121 HydrophobicContact CG-CE1 4.29Å; Q102-Y121 HydrophobicContact CG-CG 4.2Å; V112-Y121 HydrophobicContact CG1-CD1 4.19Å; V112-Y121 HydrophobicContact CG1-CE1 3.53Å; P118-Y121 WeakPolarHBondContact O-CB 3.4Å; P118-Y121 PolarHBondContact O-N 2.65Å; P118-Y121 VanDerWaalsContact O-N 3.07Å; W119-Y121 VanDerWaalsContact C-N 3.27Å; W119-Y121 PolarHBondContact O-N 3.42Å; Y121-E123 VanDerWaalsContact C-N 3.31Å; Y121-E123 PolarHBondContact O-N 2.97Å; Y121-C124 PolarHBondContact O-N 3.26Å; Y121-Y125 VanDerWaalsContact O-CB 3.32Å; Y121-Y125 WeakPolarHBondContact O-CB 3.32Å; Y121-Y125 PolarHBondContact O-N 2.91Å; Y121-P347 HydrophobicContact CD2-CB 3.62Å; Y121-P347 HydrophobicContact CD2-CG 3.85Å; Y121-P347 HydrophobicContact CE2-CB 4.33Å; Y121-P347 HydrophobicContact CE2-CG 4.13Å
122	I	98.1	Very high	97.6	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.005	5%	0.049	C	C	.	.	H	α-helix	trans	-69.8	-29.7	-174.3	58.2	85.2	0	0	0	112.3	V28 L32 W114 P118 W119 M126	V28-I122 HydrophobicContact CB-CD1 4.46Å; V28-I122 HydrophobicContact CG1-CD1 4.43Å; V28-I122 HydrophobicContact CG2-CD1 3.27Å; V28-I122 HydrophobicContact CG2-CG1 4.33Å; L32-I122 HydrophobicContact CD1-CD1 3.83Å; W114-I122 HydrophobicContact CE3-CB 4.27Å; P118-I122 PolarHBondContact O-N 2.7Å; W119-I122 WeakPolarHBondContact O-CG1 3.45Å; W119-I122 PolarHBondContact O-N 2.88Å; I122-M126 PolarHBondContact O-N 3.32Å
123	E	98.3	Very high	97.8	Very high	13 Å²	13	10.4 Å²	10.4	6%	0.061	5%	0.048	C	C	.	.	H	α-helix	trans	-69.5	-48.8	174.8	-74.8	-170.1	127.7	0	0	110.3	T27 L32 W119 Y121 Y125 M126 Y127 F296 R379	T27-E123 WeakPolarHBondContact CG2-OE1 3.32Å; L32-E123 HydrophobicContact CD1-CG 4.14Å; L32-E123 HydrophobicContact CD2-CG 4.15Å; W119-E123 PolarHBondContact NE1-OE1 2.81Å; W119-E123 PolarHBondContact NE1-OE2 2.99Å; W119-E123 VanDerWaalsContact NE1-OE2 3.1Å; W119-E123 WeakPolarHBondContact O-CG 3.28Å; W119-E123 PolarHBondContact O-N 3.26Å; W119-E123 VanDerWaalsContact O-N 3.1Å; Y121-E123 VanDerWaalsContact C-N 3.31Å; Y121-E123 PolarHBondContact O-N 2.97Å; E123-Y125 VanDerWaalsContact C-N 3.28Å; E123-Y125 PolarHBondContact O-N 3.29Å; E123-M126 WeakPolarHBondContact O-CB 2.97Å; E123-M126 PolarHBondContact O-N 3.27Å; E123-Y127 WeakPolarHBondContact O-CD2 3.44Å; E123-Y127 PolarHBondContact O-N 2.88Å; E123-F296 HydrophobicContact CB-CE1 4.1Å; E123-F296 HydrophobicContact CB-CZ 3.65Å; E123-R379 IonicContact OE2-CZ 2.97Å; E123-R379 IonicContact OE2-NH1 3.7Å; E123-R379 PolarHBondContact OE2-NH1 3.07Å; E123-R379 IonicContact OE2-NH2 3.62Å; E123-R379 PolarHBondContact OE2-NH2 2.92Å
124	C	98.8	Very high	97.8	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-57.8	-44	175.4	-65.4	0	0	0	0	110.7	W95 L120 Y121 M126 Y127 R128 W295 P347	W95-C124 HydrophobicContact CH2-CB 3.76Å; L120-C124 WeakPolarHBondContact O-CB 3.27Å; L120-C124 PolarHBondContact O-N 2.86Å; L120-C124 VanDerWaalsContact O-N 3.15Å; L120-C124 PolarHBondContact O-SG 2.98Å; Y121-C124 PolarHBondContact O-N 3.26Å; C124-M126 VanDerWaalsContact C-N 3.33Å; C124-M126 PolarHBondContact O-N 2.91Å; C124-Y127 PolarHBondContact O-N 3.15Å; C124-R128 PolarHBondContact O-N 2.79Å; C124-W295 HydrophobicContact CB-CH2 3.63Å; C124-W295 HydrophobicContact CB-CZ2 3.69Å; C124-W295 VanDerWaalsContact O-CH2 3.28Å; C124-W295 WeakPolarHBondContact O-CH2 3.36Å; C124-P347 HydrophobicContact CB-CB 3.89Å
125	Y	98.8	Very high	97.8	Very high	3 Å²	3	15 Å²	15	1%	0.012	7%	0.066	C	C	.	.	H	α-helix	trans	-60.9	-39.7	178.5	178.3	-103.1	0	0	0	112.4	V82 L83 L85 W95 W114 Y121 E123 Y127 R128 R129	V82-Y125 HydrophobicContact CB-CE1 4.44Å; V82-Y125 HydrophobicContact CG1-CD1 4.08Å; V82-Y125 HydrophobicContact CG1-CD2 3.99Å; V82-Y125 HydrophobicContact CG1-CE1 3.71Å; V82-Y125 HydrophobicContact CG1-CE2 3.6Å; V82-Y125 HydrophobicContact CG1-CG 4.21Å; V82-Y125 VanDerWaalsContact CG1-CZ 3.44Å; V82-Y125 HydrophobicContact CG2-CD1 4.42Å; V82-Y125 HydrophobicContact CG2-CE1 4.33Å; L83-Y125 PolarHBondContact N-OH 3.43Å; L83-Y125 WeakPolarHBondContact O-CE2 3.34Å; L83-Y125 PolarHBondContact O-OH 2.99Å; L85-Y125 HydrophobicContact CD2-CE2 4.01Å; W95-Y125 HydrophobicContact CZ3-CD2 4.42Å; W114-Y125 AromaticContact CH2-CD1 3.71Å; W114-Y125 HydrophobicContact CH2-CD1 3.71Å; W114-Y125 AromaticContact CH2-CE1 3.94Å; W114-Y125 HydrophobicContact CH2-CE1 3.94Å; W114-Y125 HydrophobicContact CZ2-CD1 4.06Å; W114-Y125 AromaticContact CZ2-CE1 3.87Å; W114-Y125 HydrophobicContact CZ2-CE1 3.87Å; W114-Y125 HydrophobicContact CZ3-CD1 4.24Å; Y121-Y125 VanDerWaalsContact O-CB 3.32Å; Y121-Y125 WeakPolarHBondContact O-CB 3.32Å; Y121-Y125 PolarHBondContact O-N 2.91Å; E123-Y125 VanDerWaalsContact C-N 3.28Å; E123-Y125 PolarHBondContact O-N 3.29Å; Y125-Y127 PolarHBondContact O-N 2.8Å; Y125-R128 PolarHBondContact O-N 3.45Å; Y125-R129 HydrophobicContact CD1-CG 3.96Å; Y125-R129 HydrophobicContact CD2-CG 4.22Å; Y125-R129 HydrophobicContact CE1-CG 3.45Å; Y125-R129 VanDerWaalsContact CE1-CG 3.45Å; Y125-R129 HydrophobicContact CE2-CG 3.77Å; Y125-R129 HydrophobicContact CG-CG 4.31Å; Y125-R129 VanDerWaalsContact CZ-CD 3.47Å; Y125-R129 WeakPolarHBondContact O-CB 3.41Å; Y125-R129 WeakPolarHBondContact O-CG 3.28Å; Y125-R129 PolarHBondContact O-N 2.85Å; Y125-R129 WeakPolarHBondContact OH-CD 3.3Å; Y125-R129 PolarHBondContact OH-NH1 2.84Å
126	M	98.8	Very high	97.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-57.3	-49.6	175.9	-173.4	-162.5	62.8	0	0	111.5	L32 I35 L36 W114 I122 E123 C124 R128 R129 I130	L32-M126 HydrophobicContact CB-SD 3.67Å; L32-M126 HydrophobicContact CD1-SD 4.34Å; L32-M126 HydrophobicContact CD2-CE 3.81Å; L32-M126 HydrophobicContact CD2-SD 3.85Å; L32-M126 HydrophobicContact CG-SD 4.14Å; I35-M126 HydrophobicContact CG2-CE 4.11Å; L36-M126 HydrophobicContact CD1-CG 4.3Å; L36-M126 HydrophobicContact CD1-SD 4.2Å; L36-M126 HydrophobicContact CD2-CG 4.19Å; L36-M126 HydrophobicContact CD2-SD 4.34Å; L36-M126 HydrophobicContact CG-CG 4.28Å; L36-M126 HydrophobicContact CG-SD 3.93Å; W114-M126 HydrophobicContact CH2-CB 4.31Å; W114-M126 HydrophobicContact CZ3-CB 4.02Å; I122-M126 PolarHBondContact O-N 3.32Å; E123-M126 WeakPolarHBondContact O-CB 2.97Å; E123-M126 PolarHBondContact O-N 3.27Å; C124-M126 VanDerWaalsContact C-N 3.33Å; C124-M126 PolarHBondContact O-N 2.91Å; M126-R128 VanDerWaalsContact C-N 3.34Å; M126-R128 PolarHBondContact O-N 2.78Å; M126-R129 PolarHBondContact O-N 3.09Å; M126-I130 HydrophobicContact CE-CD1 4.33Å; M126-I130 HydrophobicContact CG-CD1 4.38Å; M126-I130 WeakPolarHBondContact O-CG1 3.23Å; M126-I130 PolarHBondContact O-N 3.5Å
127	Y	98.8	Very high	98.2	Very high	9 Å²	9	13.9 Å²	13.9	4%	0.035	6%	0.064	C	C	.	.	H	α-helix	trans	-65.1	-38.5	179.6	-70.9	-75.5	0	0	0	112	I35 E123 C124 Y125 R129 I130 Q131 F146 W295 F296 V297	I35-Y127 HydrophobicContact CG2-CE1 4.35Å; E123-Y127 WeakPolarHBondContact O-CD2 3.44Å; E123-Y127 PolarHBondContact O-N 2.88Å; C124-Y127 PolarHBondContact O-N 3.15Å; Y125-Y127 PolarHBondContact O-N 2.8Å; Y127-R129 VanDerWaalsContact C-N 3.34Å; Y127-R129 PolarHBondContact O-N 2.97Å; Y127-I130 HydrophobicContact CD1-CD1 4.19Å; Y127-I130 WeakPolarHBondContact O-CB 3.47Å; Y127-I130 PolarHBondContact O-N 3.49Å; Y127-Q131 PolarHBondContact O-N 2.9Å; Y127-F146 HydrophobicContact CD1-CE2 4Å; Y127-F146 AromaticContact CD1-CZ 3.88Å; Y127-F146 HydrophobicContact CD1-CZ 3.88Å; Y127-F146 HydrophobicContact CE1-CE2 4.12Å; Y127-F146 AromaticContact CE1-CZ 3.7Å; Y127-F146 HydrophobicContact CE1-CZ 3.7Å; Y127-W295 HydrophobicContact CG-CE3 4.49Å; Y127-F296 AromaticContact CD2-CD2 3.47Å; Y127-F296 HydrophobicContact CD2-CD2 3.47Å; Y127-F296 VanDerWaalsContact CD2-CD2 3.47Å; Y127-F296 AromaticContact CD2-CE2 3.56Å; Y127-F296 HydrophobicContact CD2-CE2 3.56Å; Y127-F296 HydrophobicContact CD2-CG 4.02Å; Y127-F296 HydrophobicContact CD2-CZ 4.14Å; Y127-F296 HydrophobicContact CE2-CB 4.3Å; Y127-F296 AromaticContact CE2-CD1 3.85Å; Y127-F296 HydrophobicContact CE2-CD1 3.85Å; Y127-F296 AromaticContact CE2-CD2 3.61Å; Y127-F296 HydrophobicContact CE2-CD2 3.61Å; Y127-F296 HydrophobicContact CE2-CE1 4.05Å; Y127-F296 AromaticContact CE2-CE2 3.85Å; Y127-F296 HydrophobicContact CE2-CE2 3.85Å; Y127-F296 AromaticContact CE2-CG 3.65Å; Y127-F296 HydrophobicContact CE2-CG 3.65Å; Y127-F296 HydrophobicContact CE2-CZ 4.07Å; Y127-F296 HydrophobicContact CG-CD2 4.23Å; Y127-F296 VanDerWaalsContact CZ-CA 3.4Å; Y127-V297 HydrophobicContact CE1-CG2 4.16Å; Y127-V297 WeakPolarHBondContact OH-CG2 3.43Å
128	R	98.8	Very high	98.2	Very high	1 Å²	1	17.4 Å²	17.4	0%	0.004	9%	0.087	C	C	.	.	H	α-helix	trans	-65.5	-35.2	174.6	-175.2	61.4	-175.3	71.7	2.7	113	L85 D87 D91 W95 C124 Y125 M126 Q131 E132 W295	L85-R128 HydrophobicContact CD1-CG 3.45Å; L85-R128 VanDerWaalsContact CD1-CG 3.45Å; L85-R128 HydrophobicContact CD2-CG 4.42Å; D87-R128 VanDerWaalsContact CG-NH2 3.33Å; D87-R128 IonicContact OD1-CZ 3.87Å; D87-R128 IonicContact OD1-NH1 3.73Å; D87-R128 IonicContact OD1-NH2 3.77Å; D87-R128 PolarHBondContact OD1-NH2 3.1Å; D87-R128 IonicContact OD2-CZ 2.81Å; D87-R128 VanDerWaalsContact OD2-CZ 3.26Å; D87-R128 IonicContact OD2-NH1 3.27Å; D87-R128 PolarHBondContact OD2-NH1 3.44Å; D87-R128 IonicContact OD2-NH2 3.41Å; D87-R128 PolarHBondContact OD2-NH2 3.39Å; D91-R128 IonicContact OD1-CZ 3.78Å; D91-R128 VanDerWaalsContact OD1-CZ 3.3Å; D91-R128 IonicContact OD1-NE 2.92Å; D91-R128 PolarHBondContact OD1-NE 3.32Å; D91-R128 IonicContact OD1-NH2 3.35Å; D91-R128 PolarHBondContact OD1-NH2 3.45Å; D91-R128 WeakPolarHBondContact OD2-CD 3.42Å; D91-R128 IonicContact OD2-CZ 3.93Å; D91-R128 IonicContact OD2-NE 2.92Å; D91-R128 PolarHBondContact OD2-NE 3.36Å; W95-R128 HydrophobicContact CD2-CG 4.05Å; W95-R128 HydrophobicContact CG-CG 4.36Å; W95-R128 HydrophobicContact CH2-CB 3.87Å; W95-R128 HydrophobicContact CH2-CG 4.43Å; W95-R128 HydrophobicContact CZ2-CB 3.54Å; W95-R128 HydrophobicContact CZ2-CG 3.79Å; W95-R128 HydrophobicContact CZ3-CB 4.49Å; C124-R128 PolarHBondContact O-N 2.79Å; Y125-R128 PolarHBondContact O-N 3.45Å; M126-R128 VanDerWaalsContact C-N 3.34Å; M126-R128 PolarHBondContact O-N 2.78Å; R128-Q131 PolarHBondContact O-N 3.31Å; R128-E132 PolarHBondContact O-N 3.47Å; R128-W295 HydrophobicContact CB-CZ3 4.49Å
129	R	98.8	Very high	98.3	Very high	6 Å²	6	18.3 Å²	18.3	2%	0.023	9%	0.093	C	C	.	.	H	α-helix	trans	-70.8	-29.4	172.8	-72.6	-67	-61.2	-66.2	-8.4	113	L72 E75 L85 Y125 M126 Y127 E132 A133	L72-R129 HydrophobicContact CD1-CB 3.81Å; L72-R129 HydrophobicContact CD1-CG 4.02Å; L72-R129 HydrophobicContact CD2-CB 3.58Å; L72-R129 HydrophobicContact CG-CB 4.36Å; E75-R129 IonicContact OE2-CZ 3.35Å; E75-R129 IonicContact OE2-NH1 2.71Å; E75-R129 PolarHBondContact OE2-NH1 2.81Å; E75-R129 IonicContact OE2-NH2 3.7Å; E75-R129 PolarHBondContact OE2-NH2 3.38Å; E75-R129 VanDerWaalsContact OE2-NH2 3.15Å; L85-R129 HydrophobicContact CD2-CG 4.2Å; Y125-R129 HydrophobicContact CD1-CG 3.96Å; Y125-R129 HydrophobicContact CD2-CG 4.22Å; Y125-R129 HydrophobicContact CE1-CG 3.45Å; Y125-R129 VanDerWaalsContact CE1-CG 3.45Å; Y125-R129 HydrophobicContact CE2-CG 3.77Å; Y125-R129 HydrophobicContact CG-CG 4.31Å; Y125-R129 VanDerWaalsContact CZ-CD 3.47Å; Y125-R129 WeakPolarHBondContact O-CB 3.41Å; Y125-R129 WeakPolarHBondContact O-CG 3.28Å; Y125-R129 PolarHBondContact O-N 2.85Å; Y125-R129 WeakPolarHBondContact OH-CD 3.3Å; Y125-R129 PolarHBondContact OH-NH1 2.84Å; M126-R129 PolarHBondContact O-N 3.09Å; Y127-R129 VanDerWaalsContact C-N 3.34Å; Y127-R129 PolarHBondContact O-N 2.97Å; R129-E132 WeakPolarHBondContact CD-OE2 3.47Å; R129-E132 IonicContact CZ-OE2 3.65Å; R129-E132 IonicContact NE-OE2 3.03Å; R129-E132 PolarHBondContact NE-OE2 3.5Å; R129-A133 WeakPolarHBondContact O-CB 3.28Å; R129-A133 PolarHBondContact O-N 2.83Å
130	I	98.7	Very high	98.2	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.021	9%	0.093	C	C	.	.	H	α-helix	trans	-64.6	-46.7	169.8	-68.1	164.4	0	0	0	109.5	L36 V39 L69 L72 M126 Y127 E132 A133 I134 V145 F146	L36-I130 HydrophobicContact CD2-CD1 3.75Å; L36-I130 HydrophobicContact CD2-CG1 3.72Å; V39-I130 HydrophobicContact CG1-CG2 4.1Å; V39-I130 HydrophobicContact CG2-CD1 4.32Å; L69-I130 HydrophobicContact CD2-CB 4.32Å; L69-I130 HydrophobicContact CD2-CG1 3.91Å; L69-I130 HydrophobicContact CD2-CG2 4.43Å; L72-I130 HydrophobicContact CD2-CG1 4.38Å; M126-I130 HydrophobicContact CE-CD1 4.33Å; M126-I130 HydrophobicContact CG-CD1 4.38Å; M126-I130 WeakPolarHBondContact O-CG1 3.23Å; M126-I130 PolarHBondContact O-N 3.5Å; Y127-I130 HydrophobicContact CD1-CD1 4.19Å; Y127-I130 WeakPolarHBondContact O-CB 3.47Å; Y127-I130 PolarHBondContact O-N 3.49Å; I130-E132 PolarHBondContact O-N 3.38Å; I130-A133 WeakPolarHBondContact O-CB 3.34Å; I130-A133 PolarHBondContact O-N 2.86Å; I130-I134 WeakPolarHBondContact O-CG1 3.41Å; I130-I134 PolarHBondContact O-N 2.92Å; I130-V145 HydrophobicContact CG2-CG2 4.01Å; I130-F146 HydrophobicContact CD1-CZ 4.33Å
131	Q	98.3	Very high	98.1	Very high	24 Å²	24	19 Å²	19	11%	0.112	10%	0.098	C	C	.	.	H	α-helix	trans	-61.5	-43.4	176.3	-174.7	61.1	26.7	0	0	112	Y127 R128 A133 I134 W135 I293	Y127-Q131 PolarHBondContact O-N 2.9Å; R128-Q131 PolarHBondContact O-N 3.31Å; Q131-A133 VanDerWaalsContact C-N 3.29Å; Q131-A133 PolarHBondContact O-N 3.29Å; Q131-I134 PolarHBondContact O-N 3.17Å; Q131-W135 WeakPolarHBondContact O-CB 3.23Å; Q131-W135 PolarHBondContact O-N 3.18Å; Q131-I293 HydrophobicContact CB-CD1 4.03Å; Q131-I293 HydrophobicContact CG-CB 4.29Å; Q131-I293 HydrophobicContact CG-CD1 4.16Å; Q131-I293 HydrophobicContact CG-CG2 4.07Å
132	E	98.6	Very high	97.8	Very high	6 Å²	6	26.2 Å²	26.2	3%	0.028	14%	0.137	C	C	.	.	H	α-helix	trans	-56.6	-43.8	174.5	178.8	176.9	-123.2	0	0	111.5	F68 L85 C86 D87 R128 R129 I130 I134 W135 L136	F68-E132 HydrophobicContact CZ-CG 4.15Å; F68-E132 WeakPolarHBondContact CZ-OE2 3.32Å; L85-E132 VanDerWaalsContact CA-OE1 3.27Å; L85-E132 WeakPolarHBondContact CA-OE1 3.21Å; C86-E132 PolarHBondContact N-OE1 3.36Å; D87-E132 HydrophobicContact CB-CG 4.05Å; D87-E132 WeakPolarHBondContact OD2-CA 3.45Å; D87-E132 WeakPolarHBondContact OD2-CB 3.38Å; D87-E132 WeakPolarHBondContact OD2-CG 3.4Å; R128-E132 PolarHBondContact O-N 3.47Å; R129-E132 WeakPolarHBondContact CD-OE2 3.47Å; R129-E132 IonicContact CZ-OE2 3.65Å; R129-E132 IonicContact NE-OE2 3.03Å; R129-E132 PolarHBondContact NE-OE2 3.5Å; I130-E132 PolarHBondContact O-N 3.38Å; E132-I134 VanDerWaalsContact C-N 3.32Å; E132-I134 PolarHBondContact O-N 3.38Å; E132-W135 PolarHBondContact O-N 3.45Å; E132-L136 HydrophobicContact CG-CD1 3.64Å; E132-L136 HydrophobicContact CG-CG 4.18Å; E132-L136 WeakPolarHBondContact O-CB 3.31Å; E132-L136 VanDerWaalsContact O-CG 3.3Å; E132-L136 WeakPolarHBondContact O-CG 3.31Å; E132-L136 PolarHBondContact O-N 2.85Å
133	A	98.5	Very high	97.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.4	-41.6	179.2	0	0	0	0	0	112.2	T65 F68 L69 R129 I130 Q131 N137	T65-A133 HydrophobicContact CG2-CB 4.33Å; F68-A133 HydrophobicContact CB-CB 4.11Å; F68-A133 HydrophobicContact CD1-CB 3.32Å; F68-A133 HydrophobicContact CE1-CB 3.79Å; F68-A133 HydrophobicContact CG-CB 3.75Å; L69-A133 HydrophobicContact CD2-CB 3.76Å; L69-A133 HydrophobicContact CG-CB 4.02Å; R129-A133 WeakPolarHBondContact O-CB 3.28Å; R129-A133 PolarHBondContact O-N 2.83Å; I130-A133 WeakPolarHBondContact O-CB 3.34Å; I130-A133 PolarHBondContact O-N 2.86Å; Q131-A133 VanDerWaalsContact C-N 3.29Å; Q131-A133 PolarHBondContact O-N 3.29Å; A133-N137 PolarHBondContact O-ND2 2.87Å
134	I	98	Very high	97.8	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-70.7	-47.3	179	-63.5	-73.2	0	0	0	110.1	I43 T65 I130 Q131 E132 L136 N137 I140 F143 V145	I43-I134 HydrophobicContact CD1-CD1 4Å; I43-I134 HydrophobicContact CG1-CD1 4.46Å; T65-I134 HydrophobicContact CG2-CD1 3.62Å; T65-I134 HydrophobicContact CG2-CG1 4.36Å; I130-I134 WeakPolarHBondContact O-CG1 3.41Å; I130-I134 PolarHBondContact O-N 2.92Å; Q131-I134 PolarHBondContact O-N 3.17Å; E132-I134 VanDerWaalsContact C-N 3.32Å; E132-I134 PolarHBondContact O-N 3.38Å; I134-L136 PolarHBondContact O-N 3.01Å; I134-N137 PolarHBondContact O-N 2.81Å; I134-N137 VanDerWaalsContact O-N 3.16Å; I134-I140 HydrophobicContact CD1-CD1 4.47Å; I134-I140 WeakPolarHBondContact CG2-O 3.43Å; I134-F143 HydrophobicContact CD1-CD1 4.47Å; I134-F143 HydrophobicContact CG2-CB 4.47Å; I134-V145 HydrophobicContact CD1-CG1 3.65Å; I134-V145 HydrophobicContact CG1-CG1 4.09Å
135	W	97.9	Very high	97.7	Very high	101 Å²	101	29.2 Å²	29.2	38%	0.383	15%	0.152	S	C	.	.	H	α-helix	trans	-60	-46.8	-178.2	-178	-93.8	0	0	0	113.2	D87 L89 Q131 E132 N137 S141	D87-W135 HydrophobicContact CB-CG 4.34Å; D87-W135 PolarHBondContact O-NE1 2.82Å; L89-W135 HydrophobicContact CD1-CB 4.36Å; L89-W135 HydrophobicContact CD1-CD2 4.15Å; L89-W135 HydrophobicContact CD1-CG 4.05Å; L89-W135 HydrophobicContact CD2-CD2 3.59Å; L89-W135 HydrophobicContact CD2-CE3 3.91Å; L89-W135 HydrophobicContact CD2-CG 4.22Å; L89-W135 HydrophobicContact CD2-CH2 3.77Å; L89-W135 HydrophobicContact CD2-CZ2 3.44Å; L89-W135 VanDerWaalsContact CD2-CZ2 3.44Å; L89-W135 HydrophobicContact CD2-CZ3 4Å; L89-W135 HydrophobicContact CG-CD2 4.07Å; L89-W135 HydrophobicContact CG-CG 4.17Å; L89-W135 HydrophobicContact CG-CZ2 4.5Å; Q131-W135 WeakPolarHBondContact O-CB 3.23Å; Q131-W135 PolarHBondContact O-N 3.18Å; E132-W135 PolarHBondContact O-N 3.45Å; W135-N137 PolarHBondContact O-N 2.84Å; W135-S141 PolarHBondContact O-OG 3.24Å
136	L	97.9	Very high	97.7	Very high	73 Å²	73	29.6 Å²	29.6	38%	0.382	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-7.1	-179.6	-72.7	176.4	0	0	0	113.9	F68 D87 E132 I134 P138	F68-L136 HydrophobicContact CE2-CD1 4.03Å; D87-L136 HydrophobicContact CB-CD2 4Å; D87-L136 HydrophobicContact CB-CG 4.08Å; E132-L136 HydrophobicContact CG-CD1 3.64Å; E132-L136 HydrophobicContact CG-CG 4.18Å; E132-L136 WeakPolarHBondContact O-CB 3.31Å; E132-L136 VanDerWaalsContact O-CG 3.3Å; E132-L136 WeakPolarHBondContact O-CG 3.31Å; E132-L136 PolarHBondContact O-N 2.85Å; I134-L136 PolarHBondContact O-N 3.01Å; L136-P138 VanDerWaalsContact C-CD 3.43Å; L136-P138 WeakPolarHBondContact O-CD 3.2Å
137	N	97.6	Very high	97.6	Very high	14 Å²	14	32 Å²	32	8%	0.075	17%	0.166	C	C	.	.	S	Bend	trans	-123.7	68.5	-176.8	-69.4	-68.1	0	0	0	111.5	R64 T65 A133 I134 W135 I140	R64-N137 WeakPolarHBondContact CB-OD1 3.44Å; R64-N137 PolarHBondContact NE-OD1 3.24Å; T65-N137 WeakPolarHBondContact OG1-CB 3.46Å; A133-N137 PolarHBondContact O-ND2 2.87Å; I134-N137 PolarHBondContact O-N 2.81Å; I134-N137 VanDerWaalsContact O-N 3.16Å; W135-N137 PolarHBondContact O-N 2.84Å; N137-I140 VanDerWaalsContact O-CG1 3.24Å; N137-I140 WeakPolarHBondContact O-CG1 3.36Å; N137-I140 PolarHBondContact O-N 3.05Å
138	P	97.3	Very high	97.5	Very high	74 Å²	74	35.5 Å²	35.5	48%	0.481	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	152.1	169.8	28.7	-35.5	0	0	0	110.5	A61 R64 L136	A61-P138 WeakPolarHBondContact CB-O 3.29Å; R64-P138 PolarHBondContact NH2-O 2.83Å; L136-P138 VanDerWaalsContact C-CD 3.43Å; L136-P138 WeakPolarHBondContact O-CD 3.2Å
139	P	97.3	Very high	97.2	Very high	42 Å²	42	38.9 Å²	38.9	27%	0.273	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	cis	-93.6	13.5	12.3	35.1	-33.9	0	0	0	115.6	F54 S141	F54-P139 HydrophobicContact CB-CB 4.48Å; F54-P139 HydrophobicContact CB-CG 3.51Å; F54-P139 HydrophobicContact CD1-CB 3.81Å; F54-P139 HydrophobicContact CD1-CG 3.75Å; F54-P139 HydrophobicContact CD2-CG 4.01Å; F54-P139 HydrophobicContact CE1-CB 4.13Å; F54-P139 HydrophobicContact CE1-CG 4.46Å; F54-P139 HydrophobicContact CG-CB 4.05Å; F54-P139 HydrophobicContact CG-CG 3.48Å; F54-P139 VanDerWaalsContact CG-CG 3.48Å; P139-S141 VanDerWaalsContact C-N 3.32Å; P139-S141 PolarHBondContact O-N 3.12Å
140	I	96.8	Very high	97	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.015	21%	0.207	C	C	.	.			trans	-92.1	19.6	-176	65.6	167.2	0	0	0	114	F50 F54 A61 I134 N137 D142 F143	F50-I140 HydrophobicContact CB-CG2 4.5Å; F50-I140 HydrophobicContact CD1-CB 4.49Å; F50-I140 HydrophobicContact CD1-CG2 3.5Å; F50-I140 HydrophobicContact CD2-CG2 4.44Å; F50-I140 HydrophobicContact CE1-CB 4.2Å; F50-I140 HydrophobicContact CE1-CG2 3.68Å; F50-I140 HydrophobicContact CE2-CD1 4.45Å; F50-I140 HydrophobicContact CG-CG2 3.92Å; F50-I140 HydrophobicContact CZ-CD1 4.38Å; F50-I140 HydrophobicContact CZ-CG2 4.23Å; F54-I140 HydrophobicContact CD2-CG2 4.24Å; F54-I140 HydrophobicContact CE2-CG2 4.22Å; A61-I140 HydrophobicContact CB-CD1 4.42Å; A61-I140 HydrophobicContact CB-CG1 4.1Å; A61-I140 HydrophobicContact CB-CG2 4.43Å; I134-I140 HydrophobicContact CD1-CD1 4.47Å; I134-I140 WeakPolarHBondContact CG2-O 3.43Å; N137-I140 VanDerWaalsContact O-CG1 3.24Å; N137-I140 WeakPolarHBondContact O-CG1 3.36Å; N137-I140 PolarHBondContact O-N 3.05Å; I140-D142 PolarHBondContact O-N 3.4Å; I140-D142 VanDerWaalsContact O-N 3.1Å; I140-F143 HydrophobicContact CB-CB 4.36Å; I140-F143 WeakPolarHBondContact O-CB 3.38Å; I140-F143 PolarHBondContact O-N 2.67Å
141	S	95.2	Very high	96.9	Very high	20 Å²	20	39.8 Å²	39.8	14%	0.14	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-22.5	-169.9	-56	0	0	0	0	114.7	W135 P139	W135-S141 PolarHBondContact O-OG 3.24Å; P139-S141 VanDerWaalsContact C-N 3.32Å; P139-S141 PolarHBondContact O-N 3.12Å
142	D	92.9	Very high	96.6	Very high	155 Å²	155	43.2 Å²	43.2	83%	0.829	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97	6.3	178.5	-61.3	-32.8	0	0	0	113.2	I140 D144	I140-D142 PolarHBondContact O-N 3.4Å; I140-D142 VanDerWaalsContact O-N 3.1Å; D142-D144 PolarHBondContact O-N 3.1Å
143	F	97.6	Very high	96.1	Very high	46 Å²	46	43.9 Å²	43.9	20%	0.202	23%	0.234	C	C	.	.			trans	-74.4	113	-176.8	-175.9	-106.7	0	0	0	112	T42 I43 N46 F50 I134 I140 V145	T42-F143 HydrophobicContact CG2-CE1 4.4Å; T42-F143 HydrophobicContact CG2-CZ 4.29Å; I43-F143 HydrophobicContact CG1-CE1 4.26Å; N46-F143 HydrophobicContact CB-CE2 4.45Å; N46-F143 HydrophobicContact CB-CZ 4.15Å; F50-F143 HydrophobicContact CE1-CB 4.45Å; F50-F143 AromaticContact CE1-CD2 3.7Å; F50-F143 HydrophobicContact CE1-CD2 3.7Å; F50-F143 HydrophobicContact CE1-CE2 4.02Å; F50-F143 AromaticContact CE1-CG 3.98Å; F50-F143 HydrophobicContact CE1-CG 3.98Å; F50-F143 AromaticContact CZ-CD1 3.92Å; F50-F143 HydrophobicContact CZ-CD1 3.92Å; F50-F143 AromaticContact CZ-CD2 3.83Å; F50-F143 HydrophobicContact CZ-CD2 3.83Å; F50-F143 AromaticContact CZ-CE1 3.98Å; F50-F143 HydrophobicContact CZ-CE1 3.98Å; F50-F143 AromaticContact CZ-CE2 3.9Å; F50-F143 HydrophobicContact CZ-CE2 3.9Å; F50-F143 AromaticContact CZ-CG 3.84Å; F50-F143 HydrophobicContact CZ-CG 3.84Å; F50-F143 AromaticContact CZ-CZ 3.98Å; F50-F143 HydrophobicContact CZ-CZ 3.98Å; I134-F143 HydrophobicContact CD1-CD1 4.47Å; I134-F143 HydrophobicContact CG2-CB 4.47Å; I140-F143 HydrophobicContact CB-CB 4.36Å; I140-F143 WeakPolarHBondContact O-CB 3.38Å; I140-F143 PolarHBondContact O-N 2.67Å; F143-V145 HydrophobicContact CD1-CB 4.49Å; F143-V145 HydrophobicContact CD1-CG1 3.7Å; F143-V145 HydrophobicContact CE1-CB 4.3Å; F143-V145 HydrophobicContact CE1-CG1 3.84Å; F143-V145 PolarHBondContact O-N 3.43Å
144	D	98.1	Very high	95.8	Very high	25 Å²	25	44 Å²	44	13%	0.134	23%	0.234	C	C	.	.			trans	-79.2	103.1	169.3	-177.6	-14.1	0	0	0	110.9	D142 F146 N147 K150 P294	D142-D144 PolarHBondContact O-N 3.1Å; D144-F146 PolarHBondContact O-N 2.9Å; D144-F146 WeakPolarHBondContact OD1-CA 3.24Å; D144-F146 PolarHBondContact OD1-N 3.45Å; D144-N147 HydrophobicContact CB-CB 3.9Å; D144-N147 PolarHBondContact O-N 2.94Å; D144-N147 PolarHBondContact OD1-N 3.21Å; D144-N147 VanDerWaalsContact OD1-N 3.16Å; D144-K150 IonicContact OD1-NZ 3.68Å; D144-K150 WeakPolarHBondContact OD2-CE 3.21Å; D144-K150 IonicContact OD2-NZ 2.76Å; D144-K150 PolarHBondContact OD2-NZ 3.49Å; D144-P294 HydrophobicContact CB-CG 3.96Å
145	V	97.9	Very high	95.5	Very high	6 Å²	6	48.6 Å²	48.6	4%	0.036	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-11.1	179.5	-61.3	0	0	0	0	114.5	V39 T42 I43 I130 I134 F143	V39-V145 HydrophobicContact CG1-CB 3.97Å; V39-V145 HydrophobicContact CG1-CG1 4.01Å; V39-V145 HydrophobicContact CG1-CG2 3.98Å; V39-V145 HydrophobicContact CG2-CG2 4.21Å; T42-V145 WeakPolarHBondContact CG2-O 2.9Å; I43-V145 HydrophobicContact CD1-CG1 3.99Å; I43-V145 HydrophobicContact CG1-CG1 3.91Å; I130-V145 HydrophobicContact CG2-CG2 4.01Å; I134-V145 HydrophobicContact CD1-CG1 3.65Å; I134-V145 HydrophobicContact CG1-CG1 4.09Å; F143-V145 HydrophobicContact CD1-CB 4.49Å; F143-V145 HydrophobicContact CD1-CG1 3.7Å; F143-V145 HydrophobicContact CE1-CB 4.3Å; F143-V145 HydrophobicContact CE1-CG1 3.84Å; F143-V145 PolarHBondContact O-N 3.43Å
146	F	98.2	Very high	95.1	Very high	12 Å²	12	47.9 Å²	47.9	5%	0.053	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-6.6	-179.2	-50.2	-61.8	0	0	0	114.1	V39 Y127 I130 D144 E148 S149 K150 P294 V297	V39-F146 HydrophobicContact CG2-CD1 4.32Å; V39-F146 HydrophobicContact CG2-CE1 3.39Å; V39-F146 HydrophobicContact CG2-CZ 3.85Å; Y127-F146 HydrophobicContact CD1-CE2 4Å; Y127-F146 AromaticContact CD1-CZ 3.88Å; Y127-F146 HydrophobicContact CD1-CZ 3.88Å; Y127-F146 HydrophobicContact CE1-CE2 4.12Å; Y127-F146 AromaticContact CE1-CZ 3.7Å; Y127-F146 HydrophobicContact CE1-CZ 3.7Å; I130-F146 HydrophobicContact CD1-CZ 4.33Å; D144-F146 PolarHBondContact O-N 2.9Å; D144-F146 WeakPolarHBondContact OD1-CA 3.24Å; D144-F146 PolarHBondContact OD1-N 3.45Å; F146-E148 VanDerWaalsContact C-N 3.3Å; F146-E148 PolarHBondContact O-N 2.94Å; F146-S149 PolarHBondContact O-N 3.47Å; F146-K150 PolarHBondContact O-N 3.32Å; F146-K150 VanDerWaalsContact O-N 3.1Å; F146-P294 HydrophobicContact CD2-CB 3.78Å; F146-P294 HydrophobicContact CE2-CB 4.16Å; F146-V297 HydrophobicContact CB-CG1 4.49Å; F146-V297 WeakPolarHBondContact CB-O 3.17Å; F146-V297 HydrophobicContact CD1-CB 4.18Å; F146-V297 HydrophobicContact CD1-CG1 3.86Å; F146-V297 HydrophobicContact CD1-CG2 4.3Å; F146-V297 HydrophobicContact CE1-CB 4.37Å; F146-V297 HydrophobicContact CE1-CG1 4.4Å; F146-V297 HydrophobicContact CE1-CG2 4.02Å; F146-V297 HydrophobicContact CG-CG1 4.33Å; F146-V297 WeakPolarHBondContact CG-O 3.36Å
147	N	97.6	Very high	94.7	Very high	49 Å²	49	44.4 Å²	44.4	26%	0.262	24%	0.238	S	C	.	.	H	α-helix	trans	-56.4	-39	-176.7	177.7	68.5	0	0	0	113.5	D144 S149 K150 T151	D144-N147 HydrophobicContact CB-CB 3.9Å; D144-N147 PolarHBondContact O-N 2.94Å; D144-N147 PolarHBondContact OD1-N 3.21Å; D144-N147 VanDerWaalsContact OD1-N 3.16Å; N147-S149 VanDerWaalsContact C-N 3.34Å; N147-S149 PolarHBondContact O-N 3.19Å; N147-K150 PolarHBondContact O-N 2.73Å; N147-T151 WeakPolarHBondContact O-CG2 3.25Å; N147-T151 PolarHBondContact O-N 2.81Å; N147-T151 PolarHBondContact O-OG1 3.3Å
148	E	95.4	Very high	94.4	Very high	83 Å²	83	46.3 Å²	46.3	39%	0.388	25%	0.246	S	C	.	.	H	α-helix	trans	-58	-46.1	176.1	-174.2	-178.3	176.7	0	0	111.5	R45 F146 T151 Q152	R45-E148 IonicContact CZ-OE1 2.76Å; R45-E148 IonicContact CZ-OE2 3.18Å; R45-E148 VanDerWaalsContact NH1-CD 3.33Å; R45-E148 IonicContact NH1-OE1 2.82Å; R45-E148 PolarHBondContact NH1-OE1 2.59Å; R45-E148 IonicContact NH1-OE2 2.81Å; R45-E148 PolarHBondContact NH1-OE2 3.3Å; R45-E148 IonicContact NH2-OE1 3.1Å; R45-E148 IonicContact NH2-OE2 2.72Å; R45-E148 PolarHBondContact NH2-OE2 3.44Å; F146-E148 VanDerWaalsContact C-N 3.3Å; F146-E148 PolarHBondContact O-N 2.94Å; E148-T151 PolarHBondContact O-OG1 2.97Å; E148-T151 VanDerWaalsContact O-OG1 3.12Å; E148-Q152 WeakPolarHBondContact O-CB 3.41Å; E148-Q152 PolarHBondContact O-N 3Å
149	S	92.4	Very high	94.1	Very high	72 Å²	72	48.6 Å²	48.6	50%	0.503	25%	0.25	S	S	.	.	H	α-helix	trans	-66.4	-38.9	178.3	-170.7	0	0	0	0	112.4	F146 N147 S153	F146-S149 PolarHBondContact O-N 3.47Å; N147-S149 VanDerWaalsContact C-N 3.34Å; N147-S149 PolarHBondContact O-N 3.19Å; S149-S153 PolarHBondContact O-N 2.97Å; S149-S153 VanDerWaalsContact O-N 3.12Å
150	K	95.6	Very high	93.8	Very high	7 Å²	7	47 Å²	47	3%	0.03	24%	0.24	C	C	.	.	H	α-helix	trans	-67.3	-45.3	-179.4	-70.7	-175.8	-69.5	179.8	0	111.9	D144 F146 N147 F154 A263 D304	D144-K150 IonicContact OD1-NZ 3.68Å; D144-K150 WeakPolarHBondContact OD2-CE 3.21Å; D144-K150 IonicContact OD2-NZ 2.76Å; D144-K150 PolarHBondContact OD2-NZ 3.49Å; F146-K150 PolarHBondContact O-N 3.32Å; F146-K150 VanDerWaalsContact O-N 3.1Å; N147-K150 PolarHBondContact O-N 2.73Å; K150-F154 PolarHBondContact O-N 2.96Å; K150-A263 HydrophobicContact CB-CB 4.12Å; K150-A263 HydrophobicContact CD-CB 3.87Å; K150-A263 HydrophobicContact CG-CB 4.06Å; K150-D304 WeakPolarHBondContact CE-OD1 3.28Å; K150-D304 IonicContact NZ-OD1 3.75Å; K150-D304 PolarHBondContact NZ-OD1 3.37Å; K150-D304 IonicContact NZ-OD2 3.82Å; K150-D304 PolarHBondContact NZ-OD2 3.49Å
151	T	95.4	Very high	93.7	Very high	22 Å²	22	46.9 Å²	46.9	14%	0.135	24%	0.24	C	C	.	.	H	α-helix	trans	-68.7	-38.9	177.9	56.2	0	0	0	0	111.8	N147 E148 F154 F155 W307	N147-T151 WeakPolarHBondContact O-CG2 3.25Å; N147-T151 PolarHBondContact O-N 2.81Å; N147-T151 PolarHBondContact O-OG1 3.3Å; E148-T151 PolarHBondContact O-OG1 2.97Å; E148-T151 VanDerWaalsContact O-OG1 3.12Å; T151-F154 WeakPolarHBondContact O-CB 3.02Å; T151-F154 PolarHBondContact O-N 3.09Å; T151-F155 WeakPolarHBondContact O-CD2 3.36Å; T151-F155 PolarHBondContact O-N 2.99Å; T151-F155 VanDerWaalsContact O-N 3.14Å; T151-W307 HydrophobicContact CG2-CD2 4.14Å; T151-W307 HydrophobicContact CG2-CE3 4.3Å; T151-W307 HydrophobicContact CG2-CH2 3.7Å; T151-W307 HydrophobicContact CG2-CZ2 3.48Å; T151-W307 VanDerWaalsContact CG2-CZ2 3.48Å; T151-W307 HydrophobicContact CG2-CZ3 4.11Å
152	Q	92	Very high	93.7	Very high	96 Å²	96	47.6 Å²	47.6	45%	0.449	24%	0.242	S	C	.	.	H	α-helix	trans	-59.1	-47	174.7	-175.9	62.2	26.2	0	0	112.1	E148 F154 F155 E156	E148-Q152 WeakPolarHBondContact O-CB 3.41Å; E148-Q152 PolarHBondContact O-N 3Å; Q152-F154 VanDerWaalsContact C-N 3.3Å; Q152-F154 PolarHBondContact O-N 2.83Å; Q152-F155 PolarHBondContact O-N 2.86Å; Q152-E156 HydrophobicContact CG-CG 4.4Å; Q152-E156 WeakPolarHBondContact CG-OE1 3.21Å; Q152-E156 PolarHBondContact NE2-OE1 2.86Å; Q152-E156 WeakPolarHBondContact O-CG 3.42Å; Q152-E156 PolarHBondContact O-N 2.97Å
153	S	88.4	Confident	93.7	Very high	20 Å²	20	41.4 Å²	41.4	14%	0.14	21%	0.21	C	C	.	.	H	α-helix	trans	-56.6	-41.9	175.8	162.8	0	0	0	0	112	S149 F155 E156 S157 D201	S149-S153 PolarHBondContact O-N 2.97Å; S149-S153 VanDerWaalsContact O-N 3.12Å; S153-F155 VanDerWaalsContact C-N 3.34Å; S153-F155 PolarHBondContact O-N 3.11Å; S153-E156 PolarHBondContact O-N 3.35Å; S153-S157 PolarHBondContact O-N 3.36Å; S153-S157 VanDerWaalsContact O-N 3.15Å; S153-D201 PolarHBondContact OG-OD1 3.31Å; S153-D201 PolarHBondContact OG-OD2 3.08Å
154	F	92.4	Very high	93.6	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.009	20%	0.201	C	C	.	.	H	α-helix	trans	-61.2	-40	175	177.8	-94.1	0	0	0	113.3	K150 T151 Q152 Q158 V268 W307 T308 Q311	K150-F154 PolarHBondContact O-N 2.96Å; T151-F154 WeakPolarHBondContact O-CB 3.02Å; T151-F154 PolarHBondContact O-N 3.09Å; Q152-F154 VanDerWaalsContact C-N 3.3Å; Q152-F154 PolarHBondContact O-N 2.83Å; F154-Q158 PolarHBondContact O-NE2 2.88Å; F154-Q158 VanDerWaalsContact O-NE2 3.14Å; F154-V268 HydrophobicContact CD2-CG2 4.09Å; F154-V268 HydrophobicContact CE2-CG2 3.85Å; F154-W307 HydrophobicContact CB-CH2 4.01Å; F154-W307 HydrophobicContact CB-CZ3 3.72Å; F154-W307 AromaticContact CD1-CH2 3.61Å; F154-W307 HydrophobicContact CD1-CH2 3.61Å; F154-W307 AromaticContact CD1-CZ3 3.68Å; F154-W307 HydrophobicContact CD1-CZ3 3.68Å; F154-W307 HydrophobicContact CD2-CZ3 4.3Å; F154-W307 HydrophobicContact CE1-CH2 4.34Å; F154-W307 HydrophobicContact CE1-CZ3 4.37Å; F154-W307 AromaticContact CG-CH2 3.97Å; F154-W307 HydrophobicContact CG-CH2 3.97Å; F154-W307 AromaticContact CG-CZ3 3.63Å; F154-W307 HydrophobicContact CG-CZ3 3.63Å; F154-T308 HydrophobicContact CD2-CG2 4.32Å; F154-T308 HydrophobicContact CE2-CG2 4.05Å; F154-Q311 HydrophobicContact CD1-CB 4.42Å; F154-Q311 HydrophobicContact CE1-CB 3.54Å; F154-Q311 HydrophobicContact CE1-CG 4.17Å; F154-Q311 HydrophobicContact CZ-CB 3.69Å
155	F	91.9	Very high	93.6	Very high	99 Å²	99	38 Å²	38	43%	0.434	19%	0.194	S	C	.	.	H	α-helix	trans	-75.9	-32	-180	-70.6	-57.7	0	0	0	113	T151 Q152 S153 S157 Q158 W307	T151-F155 WeakPolarHBondContact O-CD2 3.36Å; T151-F155 PolarHBondContact O-N 2.99Å; T151-F155 VanDerWaalsContact O-N 3.14Å; Q152-F155 PolarHBondContact O-N 2.86Å; S153-F155 VanDerWaalsContact C-N 3.34Å; S153-F155 PolarHBondContact O-N 3.11Å; F155-S157 VanDerWaalsContact C-N 3.28Å; F155-S157 PolarHBondContact O-N 3.47Å; F155-Q158 WeakPolarHBondContact O-CG 3.39Å; F155-W307 HydrophobicContact CD2-CH2 4.45Å; F155-W307 AromaticContact CE2-CH2 3.82Å; F155-W307 HydrophobicContact CE2-CH2 3.82Å; F155-W307 AromaticContact CE2-CZ2 3.79Å; F155-W307 HydrophobicContact CE2-CZ2 3.79Å; F155-W307 AromaticContact CZ-CH2 3.91Å; F155-W307 HydrophobicContact CZ-CH2 3.91Å; F155-W307 AromaticContact CZ-CZ2 3.79Å; F155-W307 HydrophobicContact CZ-CZ2 3.79Å
156	E	89.4	Confident	93.5	Very high	86 Å²	86	40.1 Å²	40.1	40%	0.402	21%	0.208	S	C	.	.	H	α-helix	trans	-67.3	-32.4	174.1	-72.4	175.9	-176.4	0	0	111.9	Q152 S153 Q158 S205	Q152-E156 HydrophobicContact CG-CG 4.4Å; Q152-E156 WeakPolarHBondContact CG-OE1 3.21Å; Q152-E156 PolarHBondContact NE2-OE1 2.86Å; Q152-E156 WeakPolarHBondContact O-CG 3.42Å; Q152-E156 PolarHBondContact O-N 2.97Å; S153-E156 PolarHBondContact O-N 3.35Å; E156-Q158 PolarHBondContact O-N 3.07Å; E156-S205 WeakPolarHBondContact OE2-CB 3.35Å; E156-S205 PolarHBondContact OE2-OG 3.36Å
157	S	90.2	Very high	93.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	12.8	-178.2	-80.7	0	0	0	0	115.3	S153 F155 Q159 A160 V161 D201	S153-S157 PolarHBondContact O-N 3.36Å; S153-S157 VanDerWaalsContact O-N 3.15Å; F155-S157 VanDerWaalsContact C-N 3.28Å; F155-S157 PolarHBondContact O-N 3.47Å; S157-Q159 VanDerWaalsContact C-N 3.31Å; S157-Q159 PolarHBondContact O-N 3.38Å; S157-Q159 VanDerWaalsContact O-N 3.16Å; S157-A160 WeakPolarHBondContact O-CB 3.49Å; S157-A160 PolarHBondContact O-N 2.95Å; S157-V161 WeakPolarHBondContact O-CG2 3.47Å; S157-V161 PolarHBondContact O-N 2.91Å; S157-D201 PolarHBondContact OG-OD1 2.9Å
158	Q	90.6	Very high	93.2	Very high	53 Å²	53	40 Å²	40	25%	0.248	20%	0.204	C	C	.	.	H	α-helix	trans	-52	-43.1	-175.4	-76.1	-67.2	-64.8	0	0	114.1	F154 F155 E156 A160 V161 I162	F154-Q158 PolarHBondContact O-NE2 2.88Å; F154-Q158 VanDerWaalsContact O-NE2 3.14Å; F155-Q158 WeakPolarHBondContact O-CG 3.39Å; E156-Q158 PolarHBondContact O-N 3.07Å; Q158-A160 VanDerWaalsContact C-N 3.33Å; Q158-A160 PolarHBondContact O-N 2.97Å; Q158-V161 PolarHBondContact O-N 3.18Å; Q158-I162 WeakPolarHBondContact O-CB 3.45Å; Q158-I162 VanDerWaalsContact O-CG1 3.3Å; Q158-I162 WeakPolarHBondContact O-CG1 3.5Å; Q158-I162 PolarHBondContact O-N 3.49Å
159	Q	90.6	Very high	93.1	Very high	123 Å²	123	36.3 Å²	36.3	58%	0.575	19%	0.186	S	C	*	.	H	α-helix	trans	-66.7	-35.5	-178.7	-172.1	57.9	49.7	0	0	112.5	S157 S163	S157-Q159 VanDerWaalsContact C-N 3.31Å; S157-Q159 PolarHBondContact O-N 3.38Å; S157-Q159 VanDerWaalsContact O-N 3.16Å; Q159-S163 WeakPolarHBondContact O-CB 3.49Å; Q159-S163 PolarHBondContact O-N 3.42Å; Q159-S163 PolarHBondContact O-OG 2.84Å
160	A	91.5	Very high	93	Very high	8 Å²	8	34.3 Å²	34.3	7%	0.066	18%	0.177	C	C	.	.	H	α-helix	trans	-70.5	-41.3	175	0	0	0	0	0	111	S157 Q158 I162 S163 L164 I204 P216 F265	S157-A160 WeakPolarHBondContact O-CB 3.49Å; S157-A160 PolarHBondContact O-N 2.95Å; Q158-A160 VanDerWaalsContact C-N 3.33Å; Q158-A160 PolarHBondContact O-N 2.97Å; A160-I162 PolarHBondContact O-N 3.36Å; A160-S163 PolarHBondContact O-N 3.37Å; A160-L164 PolarHBondContact O-N 3.32Å; A160-I204 HydrophobicContact CB-CD1 3.59Å; A160-P216 HydrophobicContact CB-CG 3.75Å; A160-F265 HydrophobicContact CB-CD2 4.11Å; A160-F265 HydrophobicContact CB-CE2 3.44Å; A160-F265 VanDerWaalsContact CB-CE2 3.44Å; A160-F265 HydrophobicContact CB-CZ 3.74Å
161	V	94.3	Very high	92.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.3	-47	173.1	179.6	0	0	0	0	110.8	S157 Q158 S163 L164 C165 F265 V268 M320	S157-V161 WeakPolarHBondContact O-CG2 3.47Å; S157-V161 PolarHBondContact O-N 2.91Å; Q158-V161 PolarHBondContact O-N 3.18Å; V161-S163 VanDerWaalsContact C-N 3.28Å; V161-S163 PolarHBondContact O-N 2.92Å; V161-L164 PolarHBondContact O-N 3.46Å; V161-C165 WeakPolarHBondContact O-CB 3.21Å; V161-C165 PolarHBondContact O-N 3.49Å; V161-C165 PolarHBondContact O-SG 2.95Å; V161-C165 VanDerWaalsContact O-SG 3.37Å; V161-F265 HydrophobicContact CG2-CD2 3.84Å; V161-F265 HydrophobicContact CG2-CE2 4.23Å; V161-V268 HydrophobicContact CB-CG1 4.44Å; V161-V268 HydrophobicContact CG1-CG1 3.97Å; V161-V268 HydrophobicContact CG1-CG2 4.48Å; V161-V268 HydrophobicContact CG2-CB 4.4Å; V161-V268 HydrophobicContact CG2-CG1 4.06Å; V161-V268 HydrophobicContact CG2-CG2 4.09Å; V161-M320 HydrophobicContact CB-CE 4.25Å; V161-M320 HydrophobicContact CG1-CE 3.55Å; V161-M320 HydrophobicContact CG1-CG 4.26Å; V161-M320 HydrophobicContact CG1-SD 4.13Å
162	I	94.9	Very high	92.3	Very high	35 Å²	35	35.8 Å²	35.8	18%	0.179	18%	0.184	C	C	.	.	H	α-helix	trans	-53.1	-48	174.1	-75.6	171.8	0	0	0	110.7	Q158 A160 T166 H317 M320	Q158-I162 WeakPolarHBondContact O-CB 3.45Å; Q158-I162 VanDerWaalsContact O-CG1 3.3Å; Q158-I162 WeakPolarHBondContact O-CG1 3.5Å; Q158-I162 PolarHBondContact O-N 3.49Å; A160-I162 PolarHBondContact O-N 3.36Å; I162-T166 VanDerWaalsContact O-CB 3.29Å; I162-T166 WeakPolarHBondContact O-CB 3.46Å; I162-T166 PolarHBondContact O-N 2.93Å; I162-T166 PolarHBondContact O-OG1 2.99Å; I162-H317 HydrophobicContact CG1-CB 4.39Å; I162-M320 HydrophobicContact CB-SD 4.2Å; I162-M320 HydrophobicContact CD1-SD 4.22Å; I162-M320 HydrophobicContact CG1-CG 4.08Å; I162-M320 HydrophobicContact CG1-SD 3.19Å; I162-M320 WeakPolarHBondContact CG1-SD 3.49Å
163	S	94.4	Very high	92	Very high	25 Å²	25	38.7 Å²	38.7	18%	0.175	19%	0.191	C	C	.	.	H	α-helix	trans	-64.8	-44.7	-176.3	-56.3	0	0	0	0	111.3	Q159 A160 V161 T166 Y167	Q159-S163 WeakPolarHBondContact O-CB 3.49Å; Q159-S163 PolarHBondContact O-N 3.42Å; Q159-S163 PolarHBondContact O-OG 2.84Å; A160-S163 PolarHBondContact O-N 3.37Å; V161-S163 VanDerWaalsContact C-N 3.28Å; V161-S163 PolarHBondContact O-N 2.92Å; S163-T166 PolarHBondContact O-N 3.16Å; S163-Y167 WeakPolarHBondContact O-CB 3.46Å; S163-Y167 PolarHBondContact O-N 2.87Å
164	L	95.3	Very high	91.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66	-45.5	176.8	-71	-177.1	0	0	0	112.9	A160 V161 T166 Y167 L168 V193 P216 I217 F265 T269 V272	A160-L164 PolarHBondContact O-N 3.32Å; V161-L164 PolarHBondContact O-N 3.46Å; L164-T166 VanDerWaalsContact C-N 3.26Å; L164-T166 PolarHBondContact O-N 3.23Å; L164-Y167 PolarHBondContact O-N 2.91Å; L164-L168 WeakPolarHBondContact O-CB 3.39Å; L164-L168 PolarHBondContact O-N 3.39Å; L164-V193 HydrophobicContact CD1-CG1 3.81Å; L164-V193 HydrophobicContact CD2-CG1 3.82Å; L164-V193 HydrophobicContact CD2-CG2 4.4Å; L164-V193 HydrophobicContact CG-CG1 4.49Å; L164-P216 HydrophobicContact CD1-CG 4.5Å; L164-P216 HydrophobicContact CD2-CB 4.16Å; L164-P216 HydrophobicContact CD2-CG 4.28Å; L164-P216 HydrophobicContact CG-CB 4.48Å; L164-P216 HydrophobicContact CG-CG 4.14Å; L164-I217 HydrophobicContact CD2-CD1 3.88Å; L164-I217 HydrophobicContact CD2-CG1 3.86Å; L164-F265 HydrophobicContact CD1-CE2 3.72Å; L164-F265 HydrophobicContact CD1-CZ 3.57Å; L164-F265 HydrophobicContact CG-CZ 4.43Å; L164-T269 HydrophobicContact CD1-CG2 3.9Å; L164-V272 HydrophobicContact CB-CG2 4.26Å
165	C	96.7	Very high	91.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.3	-37.2	175.9	-68.7	0	0	0	0	111.5	V161 Q169 W319 M320	V161-C165 WeakPolarHBondContact O-CB 3.21Å; V161-C165 PolarHBondContact O-N 3.49Å; V161-C165 PolarHBondContact O-SG 2.95Å; V161-C165 VanDerWaalsContact O-SG 3.37Å; C165-Q169 WeakPolarHBondContact O-CB 3.2Å; C165-Q169 WeakPolarHBondContact O-CG 3.34Å; C165-Q169 PolarHBondContact O-N 3.09Å; C165-Q169 VanDerWaalsContact O-N 3.08Å; C165-W319 HydrophobicContact CB-CB 4.38Å; C165-M320 HydrophobicContact CB-CG 3.98Å
166	T	95.8	Very high	91.1	Very high	51 Å²	51	47.4 Å²	47.4	31%	0.313	24%	0.239	S	C	.	.	H	α-helix	trans	-64.9	-45.4	175.5	-57.8	0	0	0	0	111.2	I162 S163 L164 Q169 G170 W319	I162-T166 VanDerWaalsContact O-CB 3.29Å; I162-T166 WeakPolarHBondContact O-CB 3.46Å; I162-T166 PolarHBondContact O-N 2.93Å; I162-T166 PolarHBondContact O-OG1 2.99Å; S163-T166 PolarHBondContact O-N 3.16Å; L164-T166 VanDerWaalsContact C-N 3.26Å; L164-T166 PolarHBondContact O-N 3.23Å; T166-Q169 PolarHBondContact O-N 3.16Å; T166-G170 PolarHBondContact O-N 3.4Å; T166-W319 HydrophobicContact CG2-CG 4.43Å; T166-W319 VanDerWaalsContact OG1-CD1 3.26Å
167	Y	95	Very high	90.9	Very high	59 Å²	59	50 Å²	50	23%	0.231	26%	0.256	C	S	.	.	H	α-helix	trans	-59.9	-49.5	176.9	-175.7	-91.9	0	0	0	112.1	S163 L164 Q169 G170 F171 Q186 L190 I217	S163-Y167 WeakPolarHBondContact O-CB 3.46Å; S163-Y167 PolarHBondContact O-N 2.87Å; L164-Y167 PolarHBondContact O-N 2.91Å; Y167-Q169 VanDerWaalsContact C-N 3.31Å; Y167-Q169 PolarHBondContact O-N 3.14Å; Y167-G170 WeakPolarHBondContact O-CA 3.35Å; Y167-G170 PolarHBondContact O-N 3.34Å; Y167-F171 PolarHBondContact O-N 2.96Å; Y167-Q186 VanDerWaalsContact CZ-OE1 3.29Å; Y167-Q186 PolarHBondContact OH-OE1 2.76Å; Y167-L190 HydrophobicContact CD1-CD2 4.36Å; Y167-L190 HydrophobicContact CE1-CD2 4.26Å; Y167-I217 HydrophobicContact CD1-CD1 3.28Å; Y167-I217 HydrophobicContact CD2-CD1 3.24Å; Y167-I217 HydrophobicContact CD2-CG2 4.47Å; Y167-I217 HydrophobicContact CE1-CD1 3.65Å; Y167-I217 HydrophobicContact CE2-CD1 3.58Å; Y167-I217 HydrophobicContact CE2-CG2 3.96Å; Y167-I217 HydrophobicContact CG-CD1 3.05Å
168	L	94.8	Very high	90.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.5	-42.4	179	-178.9	65.5	0	0	0	111.9	L164 G170 F171 N172 V272 N275 F276 T323	L164-L168 WeakPolarHBondContact O-CB 3.39Å; L164-L168 PolarHBondContact O-N 3.39Å; L168-G170 VanDerWaalsContact C-N 3.34Å; L168-F171 WeakPolarHBondContact O-CB 3.44Å; L168-F171 PolarHBondContact O-N 3.4Å; L168-N172 PolarHBondContact O-N 2.88Å; L168-V272 HydrophobicContact CD1-CG1 4.45Å; L168-V272 HydrophobicContact CD2-CG1 4.33Å; L168-V272 HydrophobicContact CD2-CG2 4.41Å; L168-N275 HydrophobicContact CD1-CB 4.42Å; L168-N275 HydrophobicContact CD2-CB 3.84Å; L168-F276 HydrophobicContact CD1-CB 4.28Å; L168-T323 HydrophobicContact CD2-CG2 3.9Å
169	Q	93	Very high	90.9	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.019	28%	0.275	C	S	.	.	H	α-helix	trans	-71.1	-29.6	177.2	-66.9	-67.1	-35	0	0	112.7	C165 T166 Y167 R173 W319 K322 T323	C165-Q169 WeakPolarHBondContact O-CB 3.2Å; C165-Q169 WeakPolarHBondContact O-CG 3.34Å; C165-Q169 PolarHBondContact O-N 3.09Å; C165-Q169 VanDerWaalsContact O-N 3.08Å; T166-Q169 PolarHBondContact O-N 3.16Å; Y167-Q169 VanDerWaalsContact C-N 3.31Å; Y167-Q169 PolarHBondContact O-N 3.14Å; Q169-R173 WeakPolarHBondContact O-CG 3.47Å; Q169-W319 HydrophobicContact CB-CD2 4.04Å; Q169-W319 HydrophobicContact CB-CE3 3.62Å; Q169-W319 HydrophobicContact CB-CG 4.47Å; Q169-W319 HydrophobicContact CB-CZ3 4.16Å; Q169-W319 HydrophobicContact CG-CB 4.23Å; Q169-W319 HydrophobicContact CG-CD2 4.32Å; Q169-W319 HydrophobicContact CG-CE3 3.73Å; Q169-K322 VanDerWaalsContact OE1-CD 3.3Å; Q169-T323 PolarHBondContact NE2-OG1 3.02Å; Q169-T323 VanDerWaalsContact NE2-OG1 3.08Å
170	G	90.7	Very high	90.8	Very high	31 Å²	31	53 Å²	53	32%	0.32	28%	0.278	S	S	.	.	H	α-helix	trans	-65	-45.2	170	0	0	0	0	0	112	T166 Y167 L168 R173	T166-G170 PolarHBondContact O-N 3.4Å; Y167-G170 WeakPolarHBondContact O-CA 3.35Å; Y167-G170 PolarHBondContact O-N 3.34Å; L168-G170 VanDerWaalsContact C-N 3.34Å; G170-R173 PolarHBondContact O-N 3.41Å
171	F	88.9	Confident	91	Very high	16 Å²	16	56.6 Å²	56.6	7%	0.07	30%	0.299	C	S	.	.	H	α-helix	trans	-58.5	-52	174.4	166.6	-95.3	0	0	0	111.8	Y167 L168 R173 N174 M175 L178 L183 Q186 F276 A280	Y167-F171 PolarHBondContact O-N 2.96Å; L168-F171 WeakPolarHBondContact O-CB 3.44Å; L168-F171 PolarHBondContact O-N 3.4Å; F171-R173 PolarHBondContact O-N 3.39Å; F171-N174 PolarHBondContact O-N 3.22Å; F171-M175 HydrophobicContact CE1-CB 4.49Å; F171-M175 HydrophobicContact CE1-CG 4.08Å; F171-M175 HydrophobicContact CE1-SD 3.92Å; F171-M175 HydrophobicContact CZ-CB 4.39Å; F171-M175 HydrophobicContact CZ-CG 3.78Å; F171-M175 HydrophobicContact CZ-SD 4.09Å; F171-M175 PolarHBondContact O-N 3.35Å; F171-M175 VanDerWaalsContact O-N 3.17Å; F171-L178 HydrophobicContact CD2-CD1 3.78Å; F171-L178 HydrophobicContact CE2-CD1 3.3Å; F171-L178 HydrophobicContact CZ-CD1 4.26Å; F171-L183 HydrophobicContact CE2-CD1 3.89Å; F171-L183 HydrophobicContact CZ-CD1 3.73Å; F171-Q186 HydrophobicContact CD2-CB 4.43Å; F171-Q186 HydrophobicContact CD2-CG 4.01Å; F171-Q186 HydrophobicContact CE2-CB 4.27Å; F171-Q186 HydrophobicContact CE2-CG 4.07Å; F171-F276 AromaticContact CD1-CD2 3.98Å; F171-F276 HydrophobicContact CD1-CD2 3.98Å; F171-F276 HydrophobicContact CD1-CE2 4.42Å; F171-F276 HydrophobicContact CD2-CD2 4.49Å; F171-F276 HydrophobicContact CD2-CE2 4.24Å; F171-F276 AromaticContact CE1-CD2 3.54Å; F171-F276 HydrophobicContact CE1-CD2 3.54Å; F171-F276 AromaticContact CE1-CE2 3.8Å; F171-F276 HydrophobicContact CE1-CE2 3.8Å; F171-F276 HydrophobicContact CE2-CD2 4.07Å; F171-F276 AromaticContact CE2-CE2 3.54Å; F171-F276 HydrophobicContact CE2-CE2 3.54Å; F171-F276 HydrophobicContact CG-CD2 4.45Å; F171-F276 AromaticContact CZ-CD2 3.6Å; F171-F276 HydrophobicContact CZ-CD2 3.6Å; F171-F276 AromaticContact CZ-CE2 3.31Å; F171-F276 HydrophobicContact CZ-CE2 3.31Å; F171-F276 HydrophobicContact CZ-CZ 4.4Å; F171-A280 HydrophobicContact CZ-CB 4.43Å
172	N	86.8	Confident	91	Very high	44 Å²	44	60.5 Å²	60.5	24%	0.235	32%	0.317	C	S	.	.	H	α-helix	trans	-58.5	-21.2	-177.3	-72.1	-12	0	0	0	113.9	L168	L168-N172 PolarHBondContact O-N 2.88Å
173	R	87.2	Confident	91	Very high	157 Å²	157	60.3 Å²	60.3	59%	0.592	32%	0.316	S	S	*	.	H	α-helix	trans	-80.8	-26.3	177.8	-75.9	168.9	161.9	-161.3	-16.3	113.9	Q169 G170 F171	Q169-R173 WeakPolarHBondContact O-CG 3.47Å; G170-R173 PolarHBondContact O-N 3.41Å; F171-R173 PolarHBondContact O-N 3.39Å
174	N	86	Confident	91	Very high	96 Å²	96	61.5 Å²	61.5	51%	0.513	32%	0.319	S	S	.	.	S	Bend	trans	-113.8	9.9	-173	-59.3	-17.3	0	0	0	111.7	F171 D176 D177	F171-N174 PolarHBondContact O-N 3.22Å; N174-D176 PolarHBondContact O-N 2.92Å; N174-D177 PolarHBondContact O-N 2.71Å
175	M	85.8	Confident	91	Very high	54 Å²	54	66.1 Å²	66.1	27%	0.266	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-63.7	-40	-168.8	-173.4	179.3	75.5	0	0	112.8	F171 D177 L178 S279	F171-M175 HydrophobicContact CE1-CB 4.49Å; F171-M175 HydrophobicContact CE1-CG 4.08Å; F171-M175 HydrophobicContact CE1-SD 3.92Å; F171-M175 HydrophobicContact CZ-CB 4.39Å; F171-M175 HydrophobicContact CZ-CG 3.78Å; F171-M175 HydrophobicContact CZ-SD 4.09Å; F171-M175 PolarHBondContact O-N 3.35Å; F171-M175 VanDerWaalsContact O-N 3.17Å; M175-D177 PolarHBondContact O-N 3.39Å; M175-L178 PolarHBondContact O-N 2.82Å; M175-S279 WeakPolarHBondContact CE-O 3.11Å
176	D	82.1	Confident	91	Very high	154 Å²	154	67.6 Å²	67.6	82%	0.824	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-65.6	-18	-178.1	-62.4	-28.7	0	0	0	113.1	N174	N174-D176 PolarHBondContact O-N 2.92Å
177	D	85.4	Confident	91.1	Very high	139 Å²	139	65.3 Å²	65.3	74%	0.743	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-95.6	-0.9	-179.3	-63	-39.7	0	0	0	113.1	N174 M175	N174-D177 PolarHBondContact O-N 2.71Å; M175-D177 PolarHBondContact O-N 3.39Å
178	L	87.9	Confident	91.2	Very high	51 Å²	51	63.9 Å²	63.9	27%	0.267	33%	0.329	S	S	.	.			trans	-86	130.7	-175.2	-62.9	178.7	0	0	0	112.2	F171 M175 Q182	F171-L178 HydrophobicContact CD2-CD1 3.78Å; F171-L178 HydrophobicContact CE2-CD1 3.3Å; F171-L178 HydrophobicContact CZ-CD1 4.26Å; M175-L178 PolarHBondContact O-N 2.82Å; L178-Q182 HydrophobicContact CB-CB 4.34Å; L178-Q182 HydrophobicContact CD2-CB 4.06Å
179	S	91.4	Very high	91.2	Very high	56 Å²	56	67.6 Å²	67.6	39%	0.392	35%	0.345	S	S	.	.			trans	-67.2	159.5	163.7	63	0	0	0	0	111.6	T181 Q182 L183	S179-T181 VanDerWaalsContact C-N 3.26Å; S179-T181 PolarHBondContact O-N 2.76Å; S179-Q182 PolarHBondContact O-N 3.11Å; S179-Q182 VanDerWaalsContact O-N 3.07Å; S179-Q182 WeakPolarHBondContact OG-CG 3.34Å; S179-Q182 PolarHBondContact OG-N 3.07Å; S179-Q182 PolarHBondContact OG-OE1 3.05Å; S179-L183 PolarHBondContact O-N 3.26Å
180	E	90.1	Very high	91.5	Very high	134 Å²	134	67.5 Å²	67.5	63%	0.626	35%	0.345	S	S	*	.	H	α-helix	trans	-54.5	-42	175.6	-172.6	-178.7	174.8	0	0	112.3	Q182 L183 M184 W236	E180-Q182 PolarHBondContact O-N 3.36Å; E180-L183 WeakPolarHBondContact O-CB 3.46Å; E180-L183 PolarHBondContact O-N 3.04Å; E180-M184 PolarHBondContact O-N 3.3Å; E180-W236 HydrophobicContact CG-CZ2 4.25Å
181	T	94.3	Very high	91.8	Very high	83 Å²	83	66 Å²	66	51%	0.509	33%	0.33	S	S	.	.	H	α-helix	trans	-61	-43.8	176.7	-51.4	0	0	0	0	111.9	S179 L183 M184 E185	S179-T181 VanDerWaalsContact C-N 3.26Å; S179-T181 PolarHBondContact O-N 2.76Å; T181-L183 VanDerWaalsContact C-N 3.32Å; T181-L183 PolarHBondContact O-N 3.1Å; T181-M184 PolarHBondContact O-N 2.85Å; T181-E185 WeakPolarHBondContact O-CG 3.24Å; T181-E185 PolarHBondContact O-N 2.81Å
182	Q	94.3	Very high	92.3	Very high	82 Å²	82	66.2 Å²	66.2	38%	0.383	33%	0.331	S	S	.	.	H	α-helix	trans	-66.4	-37.7	177.1	-70.8	165.4	-53.2	0	0	111.1	L178 S179 E180 E185 Q186	L178-Q182 HydrophobicContact CB-CB 4.34Å; L178-Q182 HydrophobicContact CD2-CB 4.06Å; S179-Q182 PolarHBondContact O-N 3.11Å; S179-Q182 VanDerWaalsContact O-N 3.07Å; S179-Q182 WeakPolarHBondContact OG-CG 3.34Å; S179-Q182 PolarHBondContact OG-N 3.07Å; S179-Q182 PolarHBondContact OG-OE1 3.05Å; E180-Q182 PolarHBondContact O-N 3.36Å; Q182-E185 PolarHBondContact O-N 2.58Å; Q182-Q186 VanDerWaalsContact O-CG 3.31Å; Q182-Q186 WeakPolarHBondContact O-CG 3.34Å; Q182-Q186 PolarHBondContact O-N 2.86Å
183	L	94.4	Very high	92.7	Very high	30 Å²	30	64.1 Å²	64.1	16%	0.157	32%	0.32	C	S	.	.	H	α-helix	trans	-63.9	-42.2	176.2	-169.9	64	0	0	0	111.8	F171 S179 E180 T181 E185 Q186 F187 W236 F276 A280	F171-L183 HydrophobicContact CE2-CD1 3.89Å; F171-L183 HydrophobicContact CZ-CD1 3.73Å; S179-L183 PolarHBondContact O-N 3.26Å; E180-L183 WeakPolarHBondContact O-CB 3.46Å; E180-L183 PolarHBondContact O-N 3.04Å; T181-L183 VanDerWaalsContact C-N 3.32Å; T181-L183 PolarHBondContact O-N 3.1Å; L183-E185 VanDerWaalsContact C-N 3.35Å; L183-E185 PolarHBondContact O-N 2.81Å; L183-Q186 WeakPolarHBondContact O-CB 3.5Å; L183-Q186 PolarHBondContact O-N 2.96Å; L183-F187 PolarHBondContact O-N 3.19Å; L183-W236 HydrophobicContact CB-CH2 4.14Å; L183-W236 HydrophobicContact CD2-CH2 3.98Å; L183-W236 HydrophobicContact CG-CH2 3.83Å; L183-W236 HydrophobicContact CG-CZ3 4.47Å; L183-F276 HydrophobicContact CD1-CE2 3.87Å; L183-F276 HydrophobicContact CD1-CZ 3.72Å; L183-F276 HydrophobicContact CG-CZ 4.31Å; L183-A280 HydrophobicContact CD1-CB 3.85Å; L183-A280 HydrophobicContact CD2-CB 4.32Å
184	M	96.1	Very high	93.3	Very high	50 Å²	50	56.7 Å²	56.7	25%	0.246	29%	0.292	C	S	.	.	H	α-helix	trans	-60.2	-42.3	173.4	-176.4	-178.3	68.7	0	0	111.8	E180 T181 Q186 F187 H188 W236	E180-M184 PolarHBondContact O-N 3.3Å; T181-M184 PolarHBondContact O-N 2.85Å; M184-Q186 VanDerWaalsContact C-N 3.33Å; M184-Q186 PolarHBondContact O-N 3.45Å; M184-F187 WeakPolarHBondContact O-CB 3.34Å; M184-F187 PolarHBondContact O-N 2.87Å; M184-H188 VanDerWaalsContact CG-CE1 3.47Å; M184-H188 WeakPolarHBondContact CG-CE1 3.27Å; M184-H188 PolarHBondContact O-N 3.13Å; M184-H188 PolarHBondContact O-ND1 3.1Å; M184-W236 HydrophobicContact CB-CD2 3.93Å; M184-W236 HydrophobicContact CB-CE3 4.36Å; M184-W236 HydrophobicContact CB-CG 4.44Å; M184-W236 HydrophobicContact CB-CH2 4.17Å; M184-W236 HydrophobicContact CB-CZ2 3.73Å; M184-W236 HydrophobicContact CB-CZ3 4.46Å; M184-W236 HydrophobicContact CG-CB 4.43Å; M184-W236 HydrophobicContact CG-CD2 3.69Å; M184-W236 HydrophobicContact CG-CE3 4.33Å; M184-W236 HydrophobicContact CG-CG 3.71Å; M184-W236 HydrophobicContact CG-CZ2 4.39Å; M184-W236 VanDerWaalsContact SD-CD1 3.59Å; M184-W236 HydrophobicContact SD-CG 4.1Å
185	E	95.4	Very high	93.8	Very high	98 Å²	98	52.3 Å²	52.3	46%	0.458	27%	0.268	S	S	.	.	H	α-helix	trans	-62.6	-39	175.3	-72.8	175.8	-176.1	0	0	112.5	T181 Q182 L183 H188 K189	T181-E185 WeakPolarHBondContact O-CG 3.24Å; T181-E185 PolarHBondContact O-N 2.81Å; Q182-E185 PolarHBondContact O-N 2.58Å; L183-E185 VanDerWaalsContact C-N 3.35Å; L183-E185 PolarHBondContact O-N 2.81Å; E185-H188 PolarHBondContact O-N 3.37Å; E185-K189 WeakPolarHBondContact O-CG 2.73Å; E185-K189 PolarHBondContact O-N 3.43Å; E185-K189 VanDerWaalsContact O-N 3.12Å
186	Q	95.6	Very high	94.3	Very high	31 Å²	31	49.7 Å²	49.7	15%	0.145	26%	0.256	C	S	.	.	H	α-helix	trans	-65.4	-42.8	174.7	-65.4	-57.5	-39.7	0	0	111.6	Y167 F171 Q182 L183 M184 K189 L190 F276	Y167-Q186 VanDerWaalsContact CZ-OE1 3.29Å; Y167-Q186 PolarHBondContact OH-OE1 2.76Å; F171-Q186 HydrophobicContact CD2-CB 4.43Å; F171-Q186 HydrophobicContact CD2-CG 4.01Å; F171-Q186 HydrophobicContact CE2-CB 4.27Å; F171-Q186 HydrophobicContact CE2-CG 4.07Å; Q182-Q186 VanDerWaalsContact O-CG 3.31Å; Q182-Q186 WeakPolarHBondContact O-CG 3.34Å; Q182-Q186 PolarHBondContact O-N 2.86Å; L183-Q186 WeakPolarHBondContact O-CB 3.5Å; L183-Q186 PolarHBondContact O-N 2.96Å; M184-Q186 VanDerWaalsContact C-N 3.33Å; M184-Q186 PolarHBondContact O-N 3.45Å; Q186-K189 PolarHBondContact O-N 3.39Å; Q186-L190 WeakPolarHBondContact O-CG 3.46Å; Q186-L190 PolarHBondContact O-N 2.72Å; Q186-F276 HydrophobicContact CB-CE2 3.64Å; Q186-F276 HydrophobicContact CB-CZ 3.94Å
187	F	97.2	Very high	94.5	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.009	22%	0.216	C	C	.	.	H	α-helix	trans	-57.2	-51.5	174	169.7	-106.2	0	0	0	111.4	L183 M184 K189 L190 L191 V235 W236 L239 L273 F276 L277	L183-F187 PolarHBondContact O-N 3.19Å; M184-F187 WeakPolarHBondContact O-CB 3.34Å; M184-F187 PolarHBondContact O-N 2.87Å; F187-K189 VanDerWaalsContact C-N 3.29Å; F187-K189 PolarHBondContact O-N 3.01Å; F187-L190 PolarHBondContact O-N 3.1Å; F187-L190 VanDerWaalsContact O-N 3.17Å; F187-L191 HydrophobicContact CE1-CD2 4.06Å; F187-L191 HydrophobicContact CE2-CD1 4.3Å; F187-L191 HydrophobicContact CZ-CB 4.42Å; F187-L191 HydrophobicContact CZ-CD1 4.06Å; F187-L191 HydrophobicContact CZ-CD2 3.94Å; F187-L191 HydrophobicContact CZ-CG 4.38Å; F187-L191 WeakPolarHBondContact O-CB 3.41Å; F187-L191 PolarHBondContact O-N 3.4Å; F187-V235 HydrophobicContact CE1-CB 4.33Å; F187-V235 HydrophobicContact CE1-CG1 4.39Å; F187-V235 HydrophobicContact CZ-CB 4.14Å; F187-V235 HydrophobicContact CZ-CG1 3.72Å; F187-W236 HydrophobicContact CB-CE3 3.71Å; F187-W236 HydrophobicContact CB-CZ3 3.66Å; F187-W236 HydrophobicContact CD1-CB 4.03Å; F187-W236 HydrophobicContact CD1-CD2 4.32Å; F187-W236 AromaticContact CD1-CE3 3.54Å; F187-W236 HydrophobicContact CD1-CE3 3.54Å; F187-W236 HydrophobicContact CD1-CZ3 4.36Å; F187-W236 HydrophobicContact CD2-CE3 4.43Å; F187-W236 HydrophobicContact CE1-CB 3.95Å; F187-W236 HydrophobicContact CE1-CE3 4.3Å; F187-W236 AromaticContact CG-CE3 3.62Å; F187-W236 HydrophobicContact CG-CE3 3.62Å; F187-W236 HydrophobicContact CG-CZ3 4.01Å; F187-L239 HydrophobicContact CD2-CD1 4.17Å; F187-L239 HydrophobicContact CE1-CD1 4.48Å; F187-L239 HydrophobicContact CE2-CD1 3.49Å; F187-L239 VanDerWaalsContact CE2-CD1 3.49Å; F187-L239 HydrophobicContact CZ-CD1 3.68Å; F187-L273 HydrophobicContact CD2-CD1 4.41Å; F187-L273 HydrophobicContact CE2-CD1 4.38Å; F187-F276 HydrophobicContact CB-CE1 3.7Å; F187-F276 HydrophobicContact CB-CZ 3.98Å; F187-F276 HydrophobicContact CD2-CE1 4.1Å; F187-F276 HydrophobicContact CG-CE1 4.41Å; F187-L277 HydrophobicContact CD2-CD2 4.2Å; F187-L277 HydrophobicContact CE2-CD2 4.17Å
188	H	97.5	Very high	94	Very high	29 Å²	29	36.9 Å²	36.9	13%	0.134	19%	0.187	C	C	.	.	H	α-helix	trans	-58.8	-39.3	179.7	-69	157.4	0	0	0	112.8	M184 E185 Q192 N233	M184-H188 VanDerWaalsContact CG-CE1 3.47Å; M184-H188 WeakPolarHBondContact CG-CE1 3.27Å; M184-H188 PolarHBondContact O-N 3.13Å; M184-H188 PolarHBondContact O-ND1 3.1Å; E185-H188 PolarHBondContact O-N 3.37Å; H188-Q192 WeakPolarHBondContact O-CG 3.47Å; H188-Q192 PolarHBondContact O-N 2.93Å; H188-N233 PolarHBondContact CE1-OD1 3.46Å; H188-N233 PolarHBondContact NE2-OD1 3.09Å
189	K	96.4	Very high	93.4	Very high	78 Å²	78	37.7 Å²	37.7	34%	0.339	19%	0.186	S	C	.	.	H	α-helix	trans	-61.8	-51	175.2	-74.4	173.5	-179.1	175.2	0	111.3	E185 Q186 F187 L191 Q192 V193 L220	E185-K189 WeakPolarHBondContact O-CG 2.73Å; E185-K189 PolarHBondContact O-N 3.43Å; E185-K189 VanDerWaalsContact O-N 3.12Å; Q186-K189 PolarHBondContact O-N 3.39Å; F187-K189 VanDerWaalsContact C-N 3.29Å; F187-K189 PolarHBondContact O-N 3.01Å; K189-L191 VanDerWaalsContact C-N 3.34Å; K189-L191 PolarHBondContact O-N 3.1Å; K189-Q192 PolarHBondContact O-N 3.35Å; K189-V193 WeakPolarHBondContact O-CG2 3.46Å; K189-V193 PolarHBondContact O-N 2.76Å; K189-L220 HydrophobicContact CB-CD1 4.04Å; K189-L220 HydrophobicContact CG-CD1 4.23Å; K189-L220 WeakPolarHBondContact O-CD1 3.26Å
190	L	97.8	Very high	92.1	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.016	17%	0.17	C	C	.	.	H	α-helix	trans	-70.1	-31.4	-177.1	-65.2	178.5	0	0	0	112.8	Y167 Q186 F187 V193 S194 V272 L273 F276	Y167-L190 HydrophobicContact CD1-CD2 4.36Å; Y167-L190 HydrophobicContact CE1-CD2 4.26Å; Q186-L190 WeakPolarHBondContact O-CG 3.46Å; Q186-L190 PolarHBondContact O-N 2.72Å; F187-L190 PolarHBondContact O-N 3.1Å; F187-L190 VanDerWaalsContact O-N 3.17Å; L190-V193 PolarHBondContact O-N 2.72Å; L190-S194 PolarHBondContact O-N 3.38Å; L190-V272 HydrophobicContact CD2-CG1 3.96Å; L190-L273 HydrophobicContact CB-CD1 4.01Å; L190-F276 HydrophobicContact CD1-CB 3.38Å; L190-F276 HydrophobicContact CD1-CD1 4.08Å; L190-F276 HydrophobicContact CD1-CD2 3.55Å; L190-F276 HydrophobicContact CD1-CE2 4.34Å; L190-F276 HydrophobicContact CD1-CG 3.39Å
191	L	98.4	Very high	90.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.2	-44.1	171	-168.2	72.3	0	0	0	111	F187 K189 S194 L195 L273 L408 V443	F187-L191 HydrophobicContact CE1-CD2 4.06Å; F187-L191 HydrophobicContact CE2-CD1 4.3Å; F187-L191 HydrophobicContact CZ-CB 4.42Å; F187-L191 HydrophobicContact CZ-CD1 4.06Å; F187-L191 HydrophobicContact CZ-CD2 3.94Å; F187-L191 HydrophobicContact CZ-CG 4.38Å; F187-L191 WeakPolarHBondContact O-CB 3.41Å; F187-L191 PolarHBondContact O-N 3.4Å; K189-L191 VanDerWaalsContact C-N 3.34Å; K189-L191 PolarHBondContact O-N 3.1Å; L191-S194 PolarHBondContact O-N 2.9Å; L191-L195 PolarHBondContact O-N 3.33Å; L191-L273 HydrophobicContact CD1-CD2 4.05Å; L191-L408 HydrophobicContact CD1-CD1 3.64Å; L191-L408 HydrophobicContact CD1-CD2 3.92Å; L191-L408 HydrophobicContact CD1-CG 4.41Å; L191-L408 HydrophobicContact CD2-CD2 4.42Å; L191-L408 HydrophobicContact CG-CD1 4.38Å; L191-L408 HydrophobicContact CG-CD2 4.05Å; L191-V443 HydrophobicContact CD2-CG1 4.05Å
192	Q	97.7	Very high	88.7	Confident	19 Å²	19	31.1 Å²	31.1	9%	0.089	15%	0.148	C	C	.	.	H	α-helix	trans	-69.7	-34.8	176	-71	177.8	48.5	0	0	112.7	H188 K189 S194 L195 W196 L220 I227	H188-Q192 WeakPolarHBondContact O-CG 3.47Å; H188-Q192 PolarHBondContact O-N 2.93Å; K189-Q192 PolarHBondContact O-N 3.35Å; Q192-S194 VanDerWaalsContact C-N 3.32Å; Q192-S194 PolarHBondContact O-N 3.25Å; Q192-L195 WeakPolarHBondContact O-CB 3.45Å; Q192-L195 PolarHBondContact O-N 2.76Å; Q192-W196 WeakPolarHBondContact O-CB 3.43Å; Q192-W196 PolarHBondContact O-N 2.91Å; Q192-L220 HydrophobicContact CB-CD1 4.44Å; Q192-L220 HydrophobicContact CB-CD2 3.9Å; Q192-I227 HydrophobicContact CG-CD1 4.04Å
193	V	96.9	Very high	86.8	Confident	1 Å²	1	30 Å²	30	1%	0.006	15%	0.149	C	C	.	.	H	α-helix	trans	-60.1	-44.6	170.9	172.4	0	0	0	0	110.4	L164 K189 L190 W196 G197 I217 L220 T269	L164-V193 HydrophobicContact CD1-CG1 3.81Å; L164-V193 HydrophobicContact CD2-CG1 3.82Å; L164-V193 HydrophobicContact CD2-CG2 4.4Å; L164-V193 HydrophobicContact CG-CG1 4.49Å; K189-V193 WeakPolarHBondContact O-CG2 3.46Å; K189-V193 PolarHBondContact O-N 2.76Å; L190-V193 PolarHBondContact O-N 2.72Å; V193-W196 PolarHBondContact O-N 3.21Å; V193-G197 PolarHBondContact O-N 2.72Å; V193-I217 HydrophobicContact CG2-CG1 3.93Å; V193-L220 HydrophobicContact CG2-CD1 3.94Å; V193-L220 HydrophobicContact CG2-CD2 4.08Å; V193-L220 HydrophobicContact CG2-CG 4.4Å; V193-T269 HydrophobicContact CG1-CG2 3.63Å
194	S	98	Very high	84.6	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.007	16%	0.155	C	C	.	.	H	α-helix	trans	-63.3	-39.6	175.3	168.7	0	0	0	0	112.7	L190 L191 Q192 T269 D270 K373	L190-S194 PolarHBondContact O-N 3.38Å; L191-S194 PolarHBondContact O-N 2.9Å; Q192-S194 VanDerWaalsContact C-N 3.32Å; Q192-S194 PolarHBondContact O-N 3.25Å; S194-T269 WeakPolarHBondContact CA-OG1 3.46Å; S194-D270 PolarHBondContact OG-OD1 3.16Å; S194-K373 WeakPolarHBondContact O-CE 3.48Å; S194-K373 PolarHBondContact O-NZ 3.45Å; S194-K373 WeakPolarHBondContact OG-CE 3.44Å; S194-K373 PolarHBondContact OG-NZ 3.01Å
195	L	97.9	Very high	81.9	Confident	3 Å²	3	31.1 Å²	31.1	2%	0.016	16%	0.16	C	C	.	.	H	α-helix	trans	-60.2	-46.6	174.6	179	66.3	0	0	0	112.1	L191 Q192 I227 L408 A441 V442 V443	L191-L195 PolarHBondContact O-N 3.33Å; Q192-L195 WeakPolarHBondContact O-CB 3.45Å; Q192-L195 PolarHBondContact O-N 2.76Å; L195-I227 HydrophobicContact CD2-CD1 3.97Å; L195-I227 HydrophobicContact CD2-CG1 4.1Å; L195-L408 VanDerWaalsContact CD1-C 3.42Å; L195-L408 HydrophobicContact CD1-CB 3.94Å; L195-A441 HydrophobicContact CD1-CB 4.03Å; L195-A441 HydrophobicContact CD2-CB 3.76Å; L195-A441 HydrophobicContact CG-CB 3.95Å; L195-V442 WeakPolarHBondContact CD1-O 3.49Å; L195-V443 HydrophobicContact CD2-CG2 3.77Å
196	W	95.7	Very high	79.2	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-91.2	0.1	-173.3	-65.4	118.7	0	0	0	114.1	Q192 V193 N198 R199 C200 L223 F226 I227 T410 A441	Q192-W196 WeakPolarHBondContact O-CB 3.43Å; Q192-W196 PolarHBondContact O-N 2.91Å; V193-W196 PolarHBondContact O-N 3.21Å; W196-N198 VanDerWaalsContact C-N 3.25Å; W196-N198 PolarHBondContact O-N 3.36Å; W196-N198 VanDerWaalsContact O-N 3.11Å; W196-R199 HydrophobicContact CE3-CB 4.11Å; W196-R199 WeakPolarHBondContact O-CA 3.37Å; W196-R199 PolarHBondContact O-N 2.83Å; W196-C200 PolarHBondContact O-N 2.77Å; W196-C200 PolarHBondContact O-SG 3Å; W196-L223 HydrophobicContact CB-CD1 4.1Å; W196-L223 HydrophobicContact CD2-CB 4.36Å; W196-L223 HydrophobicContact CD2-CD1 4.12Å; W196-L223 HydrophobicContact CG-CB 4.5Å; W196-L223 HydrophobicContact CG-CD1 3.78Å; W196-L223 HydrophobicContact CZ2-CB 4.19Å; W196-L223 WeakPolarHBondContact CZ2-O 3.31Å; W196-F226 HydrophobicContact CH2-CB 3.8Å; W196-F226 HydrophobicContact CZ2-CB 4.09Å; W196-I227 HydrophobicContact CZ2-CG1 3.8Å; W196-T410 HydrophobicContact CE3-CG2 3.7Å; W196-T410 HydrophobicContact CZ3-CG2 3.81Å; W196-A441 HydrophobicContact CE3-CB 4.33Å; W196-A441 HydrophobicContact CH2-CB 3.29Å; W196-A441 HydrophobicContact CZ2-CB 3.61Å; W196-A441 HydrophobicContact CZ3-CB 3.69Å
197	G	86.8	Confident	76.5	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-46.7	-46.7	-175.8	0	0	0	0	0	113.3	V193 R199 C200 D201 F265	V193-G197 PolarHBondContact O-N 2.72Å; G197-R199 PolarHBondContact O-N 3.41Å; G197-C200 PolarHBondContact O-N 3.31Å; G197-D201 PolarHBondContact O-N 3.1Å; G197-D201 VanDerWaalsContact O-N 3.08Å; G197-F265 WeakPolarHBondContact O-CD1 3.49Å
198	N	74.9	Confident	73.7	Confident	23 Å²	23	37 Å²	37	12%	0.123	22%	0.215	C	C	.	.	H	α-helix	trans	-62	-39.7	177.4	-157.5	-45.5	0	0	0	113.7	W196 L202 N262 E266 K412	W196-N198 VanDerWaalsContact C-N 3.25Å; W196-N198 PolarHBondContact O-N 3.36Å; W196-N198 VanDerWaalsContact O-N 3.11Å; N198-L202 PolarHBondContact O-N 3.15Å; N198-N262 PolarHBondContact ND2-ND2 3.05Å; N198-E266 WeakPolarHBondContact CB-OE2 3.21Å; N198-E266 PolarHBondContact ND2-OE2 3.34Å; N198-K412 PolarHBondContact ND2-NZ 2.82Å; N198-K412 PolarHBondContact OD1-NZ 3.19Å
199	R	75.6	Confident	70.8	Confident	69 Å²	69	44.6 Å²	44.6	26%	0.26	25%	0.25	S	S	.	.	H	α-helix	trans	-76.7	-39.9	-180	-176.1	177.3	-179.9	169.8	2.2	112	W196 G197 D201 L202 S203 K439	W196-R199 HydrophobicContact CE3-CB 4.11Å; W196-R199 WeakPolarHBondContact O-CA 3.37Å; W196-R199 PolarHBondContact O-N 2.83Å; G197-R199 PolarHBondContact O-N 3.41Å; R199-D201 VanDerWaalsContact C-N 3.27Å; R199-D201 PolarHBondContact O-N 3.03Å; R199-L202 PolarHBondContact O-N 2.96Å; R199-S203 PolarHBondContact O-N 3.4Å; R199-S203 PolarHBondContact O-OG 2.59Å; R199-K439 PolarHBondContact NH1-O 2.91Å
200	C	63.7	Low	67.9	Low	8 Å²	8	48.8 Å²	48.8	5%	0.054	28%	0.277	C	S	.	.	H	α-helix	trans	-57.7	-44	175.1	-70.7	0	0	0	0	110	W196 G197 S203 I204 F265	W196-C200 PolarHBondContact O-N 2.77Å; W196-C200 PolarHBondContact O-SG 3Å; G197-C200 PolarHBondContact O-N 3.31Å; C200-S203 PolarHBondContact O-N 3.36Å; C200-S203 PolarHBondContact O-OG 2.99Å; C200-I204 VanDerWaalsContact O-CD1 3.27Å; C200-I204 WeakPolarHBondContact O-CD1 3.23Å; C200-I204 WeakPolarHBondContact O-CG1 3.4Å; C200-I204 PolarHBondContact O-N 3.36Å; C200-I204 VanDerWaalsContact O-N 3.14Å; C200-F265 HydrophobicContact CB-CD1 4.14Å; C200-F265 HydrophobicContact CB-CE1 3.63Å
201	D	56	Low	65.1	Low	23 Å²	23	51 Å²	51	12%	0.123	29%	0.292	C	S	.	.	H	α-helix	trans	-56.3	-52.8	175.1	-160.7	60.1	0	0	0	111.9	S153 S157 G197 R199 S203 I204 S205 F265	S153-D201 PolarHBondContact OG-OD1 3.31Å; S153-D201 PolarHBondContact OG-OD2 3.08Å; S157-D201 PolarHBondContact OG-OD1 2.9Å; G197-D201 PolarHBondContact O-N 3.1Å; G197-D201 VanDerWaalsContact O-N 3.08Å; R199-D201 VanDerWaalsContact C-N 3.27Å; R199-D201 PolarHBondContact O-N 3.03Å; D201-S203 VanDerWaalsContact C-N 3.33Å; D201-S203 PolarHBondContact O-N 2.83Å; D201-I204 WeakPolarHBondContact O-CB 3.36Å; D201-I204 PolarHBondContact O-N 3.28Å; D201-S205 PolarHBondContact O-N 3.41Å; D201-S205 PolarHBondContact O-OG 3.42Å; D201-F265 HydrophobicContact CB-CB 4.12Å; D201-F265 HydrophobicContact CB-CD1 4.4Å; D201-F265 VanDerWaalsContact OD1-CB 3.27Å; D201-F265 WeakPolarHBondContact OD1-CB 3.07Å
202	L	56.5	Low	62.3	Low	103 Å²	103	58.9 Å²	58.9	54%	0.539	33%	0.329	S	S	.	.	H	α-helix	trans	-60.7	-37.8	179.6	-70	171.6	0	0	0	113.5	N198 R199 I204 A206	N198-L202 PolarHBondContact O-N 3.15Å; R199-L202 PolarHBondContact O-N 2.96Å; L202-I204 VanDerWaalsContact C-N 3.28Å; L202-I204 PolarHBondContact O-N 2.86Å; L202-A206 WeakPolarHBondContact O-CB 3.43Å; L202-A206 PolarHBondContact O-N 3.08Å
203	S	53.8	Low	59.9	Low	58 Å²	58	67 Å²	67	41%	0.406	36%	0.364	S	S	.	.	H	α-helix	trans	-68.8	-28.2	177.5	69	0	0	0	0	113.1	R199 C200 D201	R199-S203 PolarHBondContact O-N 3.4Å; R199-S203 PolarHBondContact O-OG 2.59Å; C200-S203 PolarHBondContact O-N 3.36Å; C200-S203 PolarHBondContact O-OG 2.99Å; D201-S203 VanDerWaalsContact C-N 3.33Å; D201-S203 PolarHBondContact O-N 2.83Å
204	I	48.5	Very low	58.2	Low	54 Å²	54	70.5 Å²	70.5	28%	0.277	39%	0.393	S	S	.	.	H	α-helix	trans	-78.4	-47	176.6	-65.5	160.9	0	0	0	109.6	A160 C200 D201 L202 A206	A160-I204 HydrophobicContact CB-CD1 3.59Å; C200-I204 VanDerWaalsContact O-CD1 3.27Å; C200-I204 WeakPolarHBondContact O-CD1 3.23Å; C200-I204 WeakPolarHBondContact O-CG1 3.4Å; C200-I204 PolarHBondContact O-N 3.36Å; C200-I204 VanDerWaalsContact O-N 3.14Å; D201-I204 WeakPolarHBondContact O-CB 3.36Å; D201-I204 PolarHBondContact O-N 3.28Å; L202-I204 VanDerWaalsContact C-N 3.28Å; L202-I204 PolarHBondContact O-N 2.86Å; I204-A206 PolarHBondContact O-N 3.46Å
205	S	40.7	Very low	57.2	Low	50 Å²	50	71.4 Å²	71.4	35%	0.35	40%	0.399	S	S	.	.	H	α-helix	trans	-72.6	-23.9	-178.2	-61.7	0	0	0	0	114.6	E156 D201 G207	E156-S205 WeakPolarHBondContact OE2-CB 3.35Å; E156-S205 PolarHBondContact OE2-OG 3.36Å; D201-S205 PolarHBondContact O-N 3.41Å; D201-S205 PolarHBondContact O-OG 3.42Å; S205-G207 PolarHBondContact O-N 2.81Å
206	A	38.6	Very low	56.6	Low	64 Å²	64	71.5 Å²	71.5	53%	0.529	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	3.9	-176.6	0	0	0	0	0	115.4	L202 I204 M208	L202-A206 WeakPolarHBondContact O-CB 3.43Å; L202-A206 PolarHBondContact O-N 3.08Å; I204-A206 PolarHBondContact O-N 3.46Å; A206-M208 PolarHBondContact O-N 2.9Å
207	G	38.5	Very low	56.2	Low	56 Å²	56	72.3 Å²	72.3	58%	0.577	40%	0.404	S	S	*	.			trans	59.2	21.1	169.2	0	0	0	0	0	115.9	S205 E209	S205-G207 PolarHBondContact O-N 2.81Å; G207-E209 PolarHBondContact O-N 3.25Å; G207-E209 VanDerWaalsContact O-N 3.12Å
208	M	37.4	Very low	56.1	Low	135 Å²	135	77.8 Å²	77.8	67%	0.665	43%	0.433	S	S	*	.			trans	-58.7	120.5	170.8	-65.9	-167.6	-145.3	0	0	107.7	A206 N210 S211	A206-M208 PolarHBondContact O-N 2.9Å; M208-N210 PolarHBondContact O-N 2.91Å; M208-S211 PolarHBondContact O-N 3.38Å; M208-S211 PolarHBondContact O-OG 2.91Å; M208-S211 VanDerWaalsContact O-OG 3.09Å
209	E	36.2	Very low	56.6	Low	189 Å²	189	78.2 Å²	78.2	88%	0.883	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-4.5	-168.8	-71.1	-178.2	145.3	0	0	115.8	G207	G207-E209 PolarHBondContact O-N 3.25Å; G207-E209 VanDerWaalsContact O-N 3.12Å
210	N	35.8	Very low	57.3	Low	166 Å²	166	75.4 Å²	75.4	89%	0.888	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	1.8	173.9	-79.5	-16.3	0	0	0	115.5	M208 Q212	M208-N210 PolarHBondContact O-N 2.91Å; N210-Q212 VanDerWaalsContact C-N 3.33Å; N210-Q212 PolarHBondContact O-N 2.91Å
211	S	39.8	Very low	58.5	Low	49 Å²	49	79.2 Å²	79.2	34%	0.343	46%	0.455	S	S	.	.			trans	-85	0.7	-178.6	64.7	0	0	0	0	114.7	M208 K213	M208-S211 PolarHBondContact O-N 3.38Å; M208-S211 PolarHBondContact O-OG 2.91Å; M208-S211 VanDerWaalsContact O-OG 3.09Å; S211-K213 PolarHBondContact O-N 3.35Å
212	Q	38.6	Very low	60.1	Low	166 Å²	166	83.6 Å²	83.6	78%	0.776	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	101.3	168	-67	-171.6	2.1	0	0	109.5	N210	N210-Q212 VanDerWaalsContact C-N 3.33Å; N210-Q212 PolarHBondContact O-N 2.91Å
213	K	48.5	Very low	61.8	Low	189 Å²	189	79.7 Å²	79.7	82%	0.822	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.9	34.2	159.9	-50.2	162.2	-178.5	175.5	0	119.7	S211	S211-K213 PolarHBondContact O-N 3.35Å
214	A	60.1	Low	63.7	Low	74 Å²	74	82.9 Å²	82.9	61%	0.612	47%	0.465	S	S	*	.			trans	-104.2	126.3	167.4	0	0	0	0	0	111.5
215	S	78.1	Confident	65.9	Low	21 Å²	21	84.8 Å²	84.8	15%	0.147	48%	0.483	C	S	.	.			trans	-62.3	138.2	169.4	178.7	0	0	0	0	109	I217 D218 S219	S215-I217 PolarHBondContact O-N 3.4Å; S215-I217 PolarHBondContact OG-N 3.08Å; S215-D218 WeakPolarHBondContact CB-OD2 3.33Å; S215-D218 PolarHBondContact O-N 3.32Å; S215-S219 PolarHBondContact O-N 3.02Å
216	P	85	Confident	68.6	Low	5 Å²	5	84.8 Å²	84.8	3%	0.032	48%	0.477	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-19	174.6	-25.2	33.6	0	0	0	114.1	A160 L164 S219 F265	A160-P216 HydrophobicContact CB-CG 3.75Å; L164-P216 HydrophobicContact CD1-CG 4.5Å; L164-P216 HydrophobicContact CD2-CB 4.16Å; L164-P216 HydrophobicContact CD2-CG 4.28Å; L164-P216 HydrophobicContact CG-CB 4.48Å; L164-P216 HydrophobicContact CG-CG 4.14Å; P216-S219 PolarHBondContact O-OG 3.31Å; P216-F265 HydrophobicContact CB-CZ 4.19Å; P216-F265 HydrophobicContact CG-CE1 4.46Å; P216-F265 HydrophobicContact CG-CE2 4.48Å; P216-F265 HydrophobicContact CG-CZ 3.68Å
217	I	87.1	Confident	71.4	Confident	17 Å²	17	82.6 Å²	82.6	9%	0.087	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-32.9	178.3	-64.1	173.1	0	0	0	111.3	L164 Y167 V193 S215 S219 L220	L164-I217 HydrophobicContact CD2-CD1 3.88Å; L164-I217 HydrophobicContact CD2-CG1 3.86Å; Y167-I217 HydrophobicContact CD1-CD1 3.28Å; Y167-I217 HydrophobicContact CD2-CD1 3.24Å; Y167-I217 HydrophobicContact CD2-CG2 4.47Å; Y167-I217 HydrophobicContact CE1-CD1 3.65Å; Y167-I217 HydrophobicContact CE2-CD1 3.58Å; Y167-I217 HydrophobicContact CE2-CG2 3.96Å; Y167-I217 HydrophobicContact CG-CD1 3.05Å; V193-I217 HydrophobicContact CG2-CG1 3.93Å; S215-I217 PolarHBondContact O-N 3.4Å; S215-I217 PolarHBondContact OG-N 3.08Å; I217-S219 VanDerWaalsContact C-N 3.32Å; I217-L220 HydrophobicContact CG2-CD1 4.49Å; I217-L220 WeakPolarHBondContact O-CG 3.46Å; I217-L220 PolarHBondContact O-N 3.45Å
218	D	85.8	Confident	74.2	Confident	114 Å²	114	81.1 Å²	81.1	61%	0.61	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-27.1	-177.5	-60.6	-22.3	0	0	0	111.2	S215 L220	S215-D218 WeakPolarHBondContact CB-OD2 3.33Å; S215-D218 PolarHBondContact O-N 3.32Å; D218-L220 VanDerWaalsContact C-N 3.33Å; D218-L220 PolarHBondContact O-N 3.14Å
219	S	85.5	Confident	77.1	Confident	33 Å²	33	75.6 Å²	75.6	23%	0.231	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-7.4	178.6	59.8	0	0	0	0	114.4	S215 P216 I217 S221 D222 L223	S215-S219 PolarHBondContact O-N 3.02Å; P216-S219 PolarHBondContact O-OG 3.31Å; I217-S219 VanDerWaalsContact C-N 3.32Å; S219-S221 VanDerWaalsContact C-N 3.31Å; S219-S221 PolarHBondContact O-N 3.46Å; S219-D222 PolarHBondContact O-N 3.3Å; S219-L223 WeakPolarHBondContact O-CG 3.35Å; S219-L223 PolarHBondContact O-N 2.76Å
220	L	89.7	Confident	80.1	Confident	10 Å²	10	69.7 Å²	69.7	5%	0.052	38%	0.383	C	S	.	.	H	α-helix	trans	-63.9	-34.2	-174.8	-64.5	178.3	0	0	0	113.1	K189 Q192 V193 I217 D218 D222 L223 K224	K189-L220 HydrophobicContact CB-CD1 4.04Å; K189-L220 HydrophobicContact CG-CD1 4.23Å; K189-L220 WeakPolarHBondContact O-CD1 3.26Å; Q192-L220 HydrophobicContact CB-CD1 4.44Å; Q192-L220 HydrophobicContact CB-CD2 3.9Å; V193-L220 HydrophobicContact CG2-CD1 3.94Å; V193-L220 HydrophobicContact CG2-CD2 4.08Å; V193-L220 HydrophobicContact CG2-CG 4.4Å; I217-L220 HydrophobicContact CG2-CD1 4.49Å; I217-L220 WeakPolarHBondContact O-CG 3.46Å; I217-L220 PolarHBondContact O-N 3.45Å; D218-L220 VanDerWaalsContact C-N 3.33Å; D218-L220 PolarHBondContact O-N 3.14Å; L220-D222 PolarHBondContact O-N 2.76Å; L220-L223 PolarHBondContact O-N 3.5Å; L220-K224 PolarHBondContact O-N 2.96Å
221	S	89.1	Confident	83.1	Confident	87 Å²	87	63.6 Å²	63.6	61%	0.608	35%	0.35	S	S	*	.	H	α-helix	trans	-58.6	-39.8	178.6	53.3	0	0	0	0	112	S219 L223	S219-S221 VanDerWaalsContact C-N 3.31Å; S219-S221 PolarHBondContact O-N 3.46Å; S221-L223 VanDerWaalsContact C-N 3.34Å
222	D	89.3	Confident	85.9	Confident	116 Å²	116	61.5 Å²	61.5	62%	0.62	34%	0.335	S	S	*	.	H	α-helix	trans	-75.9	-30	-177.6	-58.9	-11.9	0	0	0	110.8	S219 L220 F226	S219-D222 PolarHBondContact O-N 3.3Å; L220-D222 PolarHBondContact O-N 2.76Å; D222-F226 WeakPolarHBondContact O-CE2 3.46Å
223	L	92.5	Very high	88.7	Confident	21 Å²	21	58.2 Å²	58.2	11%	0.11	32%	0.323	C	S	.	.	H	α-helix	trans	-81.9	-22.4	-179.5	-66.1	175.9	0	0	0	113.7	W196 S219 L220 S221 S225 F226	W196-L223 HydrophobicContact CB-CD1 4.1Å; W196-L223 HydrophobicContact CD2-CB 4.36Å; W196-L223 HydrophobicContact CD2-CD1 4.12Å; W196-L223 HydrophobicContact CG-CB 4.5Å; W196-L223 HydrophobicContact CG-CD1 3.78Å; W196-L223 HydrophobicContact CZ2-CB 4.19Å; W196-L223 WeakPolarHBondContact CZ2-O 3.31Å; S219-L223 WeakPolarHBondContact O-CG 3.35Å; S219-L223 PolarHBondContact O-N 2.76Å; L220-L223 PolarHBondContact O-N 3.5Å; S221-L223 VanDerWaalsContact C-N 3.34Å; L223-S225 VanDerWaalsContact C-N 3.26Å; L223-S225 PolarHBondContact O-N 3.18Å; L223-F226 HydrophobicContact CD2-CD2 4.46Å; L223-F226 WeakPolarHBondContact O-CB 3.46Å; L223-F226 PolarHBondContact O-N 3.07Å
224	K	93.1	Very high	91	Very high	125 Å²	125	53.7 Å²	53.7	54%	0.543	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-56	-38.4	-175.2	-172	173.4	-177.4	177	0	113.3	L220 F226 I227	L220-K224 PolarHBondContact O-N 2.96Å; K224-F226 PolarHBondContact O-N 2.68Å; K224-I227 PolarHBondContact O-N 3.09Å
225	S	94.8	Very high	92.9	Very high	94 Å²	94	50.2 Å²	50.2	66%	0.657	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-66.3	-14.8	179.5	67.1	0	0	0	0	114.3	L223	L223-S225 VanDerWaalsContact C-N 3.26Å; L223-S225 PolarHBondContact O-N 3.18Å
226	F	96.5	Very high	93.8	Very high	49 Å²	49	49.9 Å²	49.9	22%	0.215	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-94.1	1.6	178.3	-59.3	-73.5	0	0	0	113.5	W196 D222 L223 K224 L228 K439 Y440 A441	W196-F226 HydrophobicContact CH2-CB 3.8Å; W196-F226 HydrophobicContact CZ2-CB 4.09Å; D222-F226 WeakPolarHBondContact O-CE2 3.46Å; L223-F226 HydrophobicContact CD2-CD2 4.46Å; L223-F226 WeakPolarHBondContact O-CB 3.46Å; L223-F226 PolarHBondContact O-N 3.07Å; K224-F226 PolarHBondContact O-N 2.68Å; F226-L228 PolarHBondContact O-N 2.73Å; F226-K439 VanDerWaalsContact CB-O 3.31Å; F226-K439 WeakPolarHBondContact CB-O 3.38Å; F226-K439 HydrophobicContact CD1-CG 4Å; F226-K439 HydrophobicContact CE1-CD 4.38Å; F226-K439 VanDerWaalsContact CE1-CE 3.4Å; F226-K439 HydrophobicContact CE1-CG 4.13Å; F226-Y440 HydrophobicContact CB-CD1 4.33Å; F226-Y440 HydrophobicContact CD1-CD1 4.15Å; F226-Y440 AromaticContact CD1-CE1 3.88Å; F226-Y440 HydrophobicContact CD1-CE1 3.88Å; F226-Y440 WeakPolarHBondContact O-CA 3.44Å; F226-A441 PolarHBondContact O-N 3.47Å
227	I	98	Very high	94.2	Very high	19 Å²	19	52.5 Å²	52.5	10%	0.097	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	109.1	172.3	-53.5	178	0	0	0	108.2	Q192 L195 W196 K224 V229 D230 A441 V443	Q192-I227 HydrophobicContact CG-CD1 4.04Å; L195-I227 HydrophobicContact CD2-CD1 3.97Å; L195-I227 HydrophobicContact CD2-CG1 4.1Å; W196-I227 HydrophobicContact CZ2-CG1 3.8Å; K224-I227 PolarHBondContact O-N 3.09Å; I227-V229 VanDerWaalsContact CG2-O 3.22Å; I227-V229 WeakPolarHBondContact CG2-O 3.28Å; I227-D230 HydrophobicContact CG2-CB 3.77Å; I227-A441 CarbonylContact C-O 3.54Å; I227-A441 WeakPolarHBondContact CA-O 3.35Å; I227-V443 HydrophobicContact CG2-CG2 4.48Å
228	L	98.3	Very high	94.5	Very high	24 Å²	24	52.5 Å²	52.5	13%	0.126	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-31.1	-172.4	-62.5	-178.7	0	0	0	113.6	F226 L411 L419 Q423 L427 W434 Y440 A441 V442	F226-L228 PolarHBondContact O-N 2.73Å; L228-L411 HydrophobicContact CD1-CD2 4.18Å; L228-L419 HydrophobicContact CB-CD2 4.28Å; L228-Q423 PolarHBondContact O-NE2 2.94Å; L228-Q423 VanDerWaalsContact O-NE2 3.11Å; L228-L427 HydrophobicContact CD1-CD1 3.68Å; L228-L427 HydrophobicContact CD2-CD1 3.77Å; L228-L427 HydrophobicContact CD2-CD2 4.28Å; L228-L427 HydrophobicContact CG-CD1 4.37Å; L228-W434 HydrophobicContact CD1-CE3 3.72Å; L228-W434 HydrophobicContact CD1-CZ3 3.49Å; L228-W434 VanDerWaalsContact CD1-CZ3 3.49Å; L228-Y440 HydrophobicContact CD1-CD1 4.11Å; L228-Y440 HydrophobicContact CD1-CG 4.17Å; L228-Y440 HydrophobicContact CD2-CD1 3.53Å; L228-Y440 HydrophobicContact CD2-CE1 4.07Å; L228-Y440 HydrophobicContact CD2-CG 4.4Å; L228-Y440 HydrophobicContact CG-CD1 3.89Å; L228-Y440 HydrophobicContact CG-CG 4.34Å; L228-A441 PolarHBondContact N-O 3.37Å; L228-V442 HydrophobicContact CB-CG1 4.14Å
229	V	98.3	Very high	94.9	Very high	19 Å²	19	47.3 Å²	47.3	12%	0.115	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	123.7	174	-179.5	0	0	0	0	105.9	I227 L419 V442 V443 Q444	I227-V229 VanDerWaalsContact CG2-O 3.22Å; I227-V229 WeakPolarHBondContact CG2-O 3.28Å; V229-L419 HydrophobicContact CG2-CD2 3.84Å; V229-V442 HydrophobicContact CB-CB 4.18Å; V229-V442 HydrophobicContact CB-CG1 3.87Å; V229-V442 HydrophobicContact CG2-CG1 4.03Å; V229-V442 WeakPolarHBondContact O-CA 3.49Å; V229-V443 CarbonylContact C-O 3.59Å; V229-V443 PolarHBondContact O-N 2.89Å; V229-Q444 HydrophobicContact CG1-CB 4.45Å; V229-Q444 HydrophobicContact CG1-CG 4.15Å
230	D	98.3	Very high	95.1	Very high	66 Å²	66	47.4 Å²	47.4	35%	0.353	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	85.9	-174.9	-170.5	-1	0	0	0	111.1	I227 S232	I227-D230 HydrophobicContact CG2-CB 3.77Å; D230-S232 VanDerWaalsContact C-N 3.28Å; D230-S232 PolarHBondContact O-N 3.48Å; D230-S232 WeakPolarHBondContact OD1-CB 3.38Å; D230-S232 PolarHBondContact OD1-N 3Å; D230-S232 PolarHBondContact OD1-OG 3.3Å
231	D	98.6	Very high	95	Very high	38 Å²	38	51.5 Å²	51.5	20%	0.203	30%	0.295	C	S	.	.			trans	-91	19.6	177	-61.2	-31.6	0	0	0	112.4	N233 M234 V235 V443 Q444 F445	D231-N233 PolarHBondContact O-N 2.87Å; D231-N233 VanDerWaalsContact O-N 3.08Å; D231-M234 HydrophobicContact CB-CB 4.35Å; D231-M234 HydrophobicContact CB-CG 4.36Å; D231-M234 HydrophobicContact CB-SD 4.11Å; D231-M234 WeakPolarHBondContact O-CA 3.43Å; D231-M234 WeakPolarHBondContact O-CB 3.17Å; D231-M234 PolarHBondContact O-N 2.91Å; D231-V235 PolarHBondContact O-N 3.41Å; D231-V235 VanDerWaalsContact O-N 3.17Å; D231-V443 WeakPolarHBondContact CB-O 3.45Å; D231-V443 PolarHBondContact N-O 3.24Å; D231-Q444 WeakPolarHBondContact OD2-CA 3.5Å; D231-F445 HydrophobicContact CB-CB 3.59Å; D231-F445 PolarHBondContact OD2-N 3.48Å
232	S	98.3	Very high	94.6	Very high	4 Å²	4	48 Å²	48	3%	0.028	27%	0.272	C	S	.	.	H	α-helix	trans	-52.4	-36.8	-176.3	-61.2	0	0	0	0	113.5	D230 M234 V235 W236	D230-S232 VanDerWaalsContact C-N 3.28Å; D230-S232 PolarHBondContact O-N 3.48Å; D230-S232 WeakPolarHBondContact OD1-CB 3.38Å; D230-S232 PolarHBondContact OD1-N 3Å; D230-S232 PolarHBondContact OD1-OG 3.3Å; S232-M234 VanDerWaalsContact C-N 3.33Å; S232-M234 PolarHBondContact O-N 3.1Å; S232-V235 WeakPolarHBondContact O-CB 3.4Å; S232-V235 PolarHBondContact O-N 3.23Å; S232-W236 PolarHBondContact O-N 2.92Å
233	N	98.1	Very high	94.1	Very high	98 Å²	98	45.2 Å²	45.2	52%	0.524	26%	0.255	S	S	.	.	H	α-helix	trans	-65.7	-33.4	176.3	-70.4	-36.9	0	0	0	112.9	H188 D231 S237	H188-N233 PolarHBondContact CE1-OD1 3.46Å; H188-N233 PolarHBondContact NE2-OD1 3.09Å; D231-N233 PolarHBondContact O-N 2.87Å; D231-N233 VanDerWaalsContact O-N 3.08Å; N233-S237 WeakPolarHBondContact O-CB 3.19Å; N233-S237 PolarHBondContact O-N 3.18Å; N233-S237 PolarHBondContact O-OG 3.17Å
234	M	97.8	Very high	93	Very high	94 Å²	94	51.1 Å²	51.1	46%	0.463	28%	0.275	S	S	.	.	H	α-helix	trans	-70.7	-37.9	175.6	-59.7	-176.8	73.7	0	0	110.4	D231 S232 S237 A238 F445	D231-M234 HydrophobicContact CB-CB 4.35Å; D231-M234 HydrophobicContact CB-CG 4.36Å; D231-M234 HydrophobicContact CB-SD 4.11Å; D231-M234 WeakPolarHBondContact O-CA 3.43Å; D231-M234 WeakPolarHBondContact O-CB 3.17Å; D231-M234 PolarHBondContact O-N 2.91Å; S232-M234 VanDerWaalsContact C-N 3.33Å; S232-M234 PolarHBondContact O-N 3.1Å; M234-S237 PolarHBondContact O-N 2.98Å; M234-A238 WeakPolarHBondContact O-CB 3.45Å; M234-A238 PolarHBondContact O-N 2.84Å; M234-F445 HydrophobicContact CB-CB 4.24Å; M234-F445 HydrophobicContact CB-CD1 3.71Å; M234-F445 HydrophobicContact CB-CE1 4.19Å; M234-F445 HydrophobicContact CB-CG 3.97Å; M234-F445 HydrophobicContact CE-CD1 3.66Å; M234-F445 HydrophobicContact CE-CE1 4.05Å; M234-F445 HydrophobicContact SD-CD1 4.14Å
235	V	97.9	Very high	91.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62.4	-46	173.7	-169.1	0	0	0	0	111	F187 D231 S232 S237 A238 L239 L369 L371 C406 V443 F445	F187-V235 HydrophobicContact CE1-CB 4.33Å; F187-V235 HydrophobicContact CE1-CG1 4.39Å; F187-V235 HydrophobicContact CZ-CB 4.14Å; F187-V235 HydrophobicContact CZ-CG1 3.72Å; D231-V235 PolarHBondContact O-N 3.41Å; D231-V235 VanDerWaalsContact O-N 3.17Å; S232-V235 WeakPolarHBondContact O-CB 3.4Å; S232-V235 PolarHBondContact O-N 3.23Å; V235-S237 VanDerWaalsContact C-N 3.33Å; V235-S237 PolarHBondContact O-N 3.47Å; V235-A238 PolarHBondContact O-N 3.24Å; V235-L239 WeakPolarHBondContact O-CG 3.44Å; V235-L239 PolarHBondContact O-N 3.39Å; V235-L369 HydrophobicContact CG1-CD1 4.28Å; V235-L369 HydrophobicContact CG1-CD2 3.56Å; V235-L371 HydrophobicContact CG1-CD2 4.3Å; V235-C406 HydrophobicContact CG2-CB 3.86Å; V235-C406 VanDerWaalsContact CG2-SG 3.55Å; V235-V443 HydrophobicContact CG2-CG1 4.27Å; V235-F445 HydrophobicContact CG2-CB 4.47Å; V235-F445 HydrophobicContact CG2-CD2 4.1Å
236	W	97.1	Very high	90	Very high	14 Å²	14	46.8 Å²	46.8	5%	0.053	26%	0.262	C	S	.	.	H	α-helix	trans	-57.1	-47.8	174.3	175.5	-105.1	0	0	0	111.5	E180 L183 M184 F187 S232 A238 L239 T240 L282	E180-W236 HydrophobicContact CG-CZ2 4.25Å; L183-W236 HydrophobicContact CB-CH2 4.14Å; L183-W236 HydrophobicContact CD2-CH2 3.98Å; L183-W236 HydrophobicContact CG-CH2 3.83Å; L183-W236 HydrophobicContact CG-CZ3 4.47Å; M184-W236 HydrophobicContact CB-CD2 3.93Å; M184-W236 HydrophobicContact CB-CE3 4.36Å; M184-W236 HydrophobicContact CB-CG 4.44Å; M184-W236 HydrophobicContact CB-CH2 4.17Å; M184-W236 HydrophobicContact CB-CZ2 3.73Å; M184-W236 HydrophobicContact CB-CZ3 4.46Å; M184-W236 HydrophobicContact CG-CB 4.43Å; M184-W236 HydrophobicContact CG-CD2 3.69Å; M184-W236 HydrophobicContact CG-CE3 4.33Å; M184-W236 HydrophobicContact CG-CG 3.71Å; M184-W236 HydrophobicContact CG-CZ2 4.39Å; M184-W236 VanDerWaalsContact SD-CD1 3.59Å; M184-W236 HydrophobicContact SD-CG 4.1Å; F187-W236 HydrophobicContact CB-CE3 3.71Å; F187-W236 HydrophobicContact CB-CZ3 3.66Å; F187-W236 HydrophobicContact CD1-CB 4.03Å; F187-W236 HydrophobicContact CD1-CD2 4.32Å; F187-W236 AromaticContact CD1-CE3 3.54Å; F187-W236 HydrophobicContact CD1-CE3 3.54Å; F187-W236 HydrophobicContact CD1-CZ3 4.36Å; F187-W236 HydrophobicContact CD2-CE3 4.43Å; F187-W236 HydrophobicContact CE1-CB 3.95Å; F187-W236 HydrophobicContact CE1-CE3 4.3Å; F187-W236 AromaticContact CG-CE3 3.62Å; F187-W236 HydrophobicContact CG-CE3 3.62Å; F187-W236 HydrophobicContact CG-CZ3 4.01Å; S232-W236 PolarHBondContact O-N 2.92Å; W236-A238 VanDerWaalsContact C-N 3.32Å; W236-A238 PolarHBondContact O-N 2.67Å; W236-L239 WeakPolarHBondContact O-CB 3.19Å; W236-L239 PolarHBondContact O-N 3.08Å; W236-T240 HydrophobicContact CD2-CG2 4.06Å; W236-T240 HydrophobicContact CH2-CG2 4.27Å; W236-T240 HydrophobicContact CZ2-CG2 3.71Å; W236-T240 PolarHBondContact O-N 3.09Å; W236-T240 PolarHBondContact O-OG1 3.25Å; W236-L282 HydrophobicContact CH2-CD1 4.25Å; W236-L282 HydrophobicContact CH2-CD2 4.02Å; W236-L282 HydrophobicContact CZ3-CD1 3.65Å; W236-L282 HydrophobicContact CZ3-CD2 3.99Å; W236-L282 HydrophobicContact CZ3-CG 4.49Å
237	S	95.3	Very high	88.2	Confident	60 Å²	60	54.7 Å²	54.7	42%	0.42	30%	0.3	S	S	.	.	H	α-helix	trans	-62.9	-36.8	180	-61	0	0	0	0	112.3	N233 M234 V235 T240 S241	N233-S237 WeakPolarHBondContact O-CB 3.19Å; N233-S237 PolarHBondContact O-N 3.18Å; N233-S237 PolarHBondContact O-OG 3.17Å; M234-S237 PolarHBondContact O-N 2.98Å; V235-S237 VanDerWaalsContact C-N 3.33Å; V235-S237 PolarHBondContact O-N 3.47Å; S237-T240 PolarHBondContact O-OG1 2.93Å; S237-S241 WeakPolarHBondContact O-CB 3.27Å; S237-S241 PolarHBondContact O-N 2.99Å; S237-S241 PolarHBondContact O-OG 3.14Å
238	A	93.5	Very high	86.9	Confident	18 Å²	18	58.7 Å²	58.7	15%	0.149	32%	0.321	C	S	.	.	H	α-helix	trans	-65.1	-43.4	174.5	0	0	0	0	0	111.8	M234 V235 W236 A242 F445	M234-A238 WeakPolarHBondContact O-CB 3.45Å; M234-A238 PolarHBondContact O-N 2.84Å; V235-A238 PolarHBondContact O-N 3.24Å; W236-A238 VanDerWaalsContact C-N 3.32Å; W236-A238 PolarHBondContact O-N 2.67Å; A238-A242 VanDerWaalsContact O-CB 3.31Å; A238-A242 WeakPolarHBondContact O-CB 3.49Å; A238-A242 PolarHBondContact O-N 2.99Å; A238-F445 HydrophobicContact CB-CE2 3.93Å; A238-F445 HydrophobicContact CB-CZ 3.89Å
239	L	92.3	Very high	85.2	Confident	5 Å²	5	60.4 Å²	60.4	3%	0.026	35%	0.345	C	S	.	.	H	α-helix	trans	-63.5	-46.7	177.5	-73.8	168.6	0	0	0	112.5	F187 V235 W236 A242 V256 L277 L369	F187-L239 HydrophobicContact CD2-CD1 4.17Å; F187-L239 HydrophobicContact CE1-CD1 4.48Å; F187-L239 HydrophobicContact CE2-CD1 3.49Å; F187-L239 VanDerWaalsContact CE2-CD1 3.49Å; F187-L239 HydrophobicContact CZ-CD1 3.68Å; V235-L239 WeakPolarHBondContact O-CG 3.44Å; V235-L239 PolarHBondContact O-N 3.39Å; W236-L239 WeakPolarHBondContact O-CB 3.19Å; W236-L239 PolarHBondContact O-N 3.08Å; L239-A242 PolarHBondContact O-N 2.96Å; L239-V256 HydrophobicContact CD2-CG2 3.62Å; L239-L277 HydrophobicContact CD1-CD2 3.83Å; L239-L277 HydrophobicContact CD2-CD2 4.46Å; L239-L369 HydrophobicContact CD1-CD2 4.16Å; L239-L369 HydrophobicContact CD2-CB 4.29Å; L239-L369 HydrophobicContact CD2-CD2 3.66Å; L239-L369 HydrophobicContact CG-CD2 3.77Å
240	T	91.3	Very high	83.6	Confident	34 Å²	34	66.1 Å²	66.1	21%	0.209	37%	0.368	C	S	.	.	H	α-helix	trans	-74.1	-31.9	-179	57.2	0	0	0	0	112.2	W236 S237 A242 Q243 L282	W236-T240 HydrophobicContact CD2-CG2 4.06Å; W236-T240 HydrophobicContact CH2-CG2 4.27Å; W236-T240 HydrophobicContact CZ2-CG2 3.71Å; W236-T240 PolarHBondContact O-N 3.09Å; W236-T240 PolarHBondContact O-OG1 3.25Å; S237-T240 PolarHBondContact O-OG1 2.93Å; T240-A242 VanDerWaalsContact C-N 3.32Å; T240-A242 PolarHBondContact O-N 2.85Å; T240-Q243 VanDerWaalsContact O-CB 3.32Å; T240-Q243 WeakPolarHBondContact O-CB 3.49Å; T240-Q243 PolarHBondContact O-N 2.77Å; T240-L282 HydrophobicContact CG2-CD2 4.37Å
241	S	86.3	Confident	82.3	Confident	97 Å²	97	68 Å²	68	68%	0.678	38%	0.377	S	S	*	.	H	α-helix	trans	-73.6	-23.9	175.1	-58.1	0	0	0	0	113.1	S237 Q243	S237-S241 WeakPolarHBondContact O-CB 3.27Å; S237-S241 PolarHBondContact O-N 2.99Å; S237-S241 PolarHBondContact O-OG 3.14Å; S241-Q243 PolarHBondContact O-N 2.94Å
242	A	80.9	Confident	81	Confident	14 Å²	14	69.1 Å²	69.1	12%	0.116	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-15.1	176.1	0	0	0	0	0	113.4	A238 L239 T240 R244 D368	A238-A242 VanDerWaalsContact O-CB 3.31Å; A238-A242 WeakPolarHBondContact O-CB 3.49Å; A238-A242 PolarHBondContact O-N 2.99Å; L239-A242 PolarHBondContact O-N 2.96Å; T240-A242 VanDerWaalsContact C-N 3.32Å; T240-A242 PolarHBondContact O-N 2.85Å; A242-R244 PolarHBondContact O-N 2.95Å; A242-R244 VanDerWaalsContact O-N 3.16Å; A242-D368 HydrophobicContact CB-CB 3.59Å
243	Q	79.3	Confident	80	Confident	56 Å²	56	70.3 Å²	70.3	26%	0.262	39%	0.393	S	S	.	.			trans	-68.1	107.9	175.8	-74.8	-177.2	-16.2	0	0	110.2	T240 S241 I251 G281	T240-Q243 VanDerWaalsContact O-CB 3.32Å; T240-Q243 WeakPolarHBondContact O-CB 3.49Å; T240-Q243 PolarHBondContact O-N 2.77Å; S241-Q243 PolarHBondContact O-N 2.94Å; Q243-I251 HydrophobicContact CB-CG2 3.49Å; Q243-I251 VanDerWaalsContact CB-CG2 3.49Å; Q243-I251 HydrophobicContact CG-CG2 3.88Å; Q243-G281 PolarHBondContact NE2-O 2.81Å
244	R	68.5	Low	79.6	Confident	145 Å²	145	66.1 Å²	66.1	55%	0.547	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	132.5	-176.9	-61.5	176.3	-157.7	179.5	8.2	110.3	A242 G246 T252 D368	A242-R244 PolarHBondContact O-N 2.95Å; A242-R244 VanDerWaalsContact O-N 3.16Å; R244-G246 PolarHBondContact O-N 3.33Å; R244-T252 PolarHBondContact N-O 2.95Å; R244-T252 PolarHBondContact O-N 3.37Å; R244-T252 PolarHBondContact O-OG1 3.18Å; R244-D368 IonicContact CZ-OD1 3.96Å; R244-D368 IonicContact NH2-OD1 2.72Å; R244-D368 PolarHBondContact NH2-OD1 3.4Å
245	P	64.8	Low	79.5	Confident	105 Å²	105	63 Å²	63	68%	0.682	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	121.1	168.3	26.7	-31	0	0	0	109
246	G	61.8	Low	79.5	Confident	23 Å²	23	63.1 Å²	63.1	24%	0.237	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-71.7	169.4	173.4	0	0	0	0	0	112.1	R244 D248 G249 K250	R244-G246 PolarHBondContact O-N 3.33Å; G246-D248 PolarHBondContact O-N 2.85Å; G246-G249 PolarHBondContact O-N 3.45Å; G246-K250 WeakPolarHBondContact CA-O 3.29Å; G246-K250 PolarHBondContact N-O 3.07Å
247	E	58.3	Low	79.6	Confident	215 Å²	215	62.4 Å²	62.4	100%	1.005	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-24.1	178.2	-65.7	-175.6	166.7	0	0	113	G249	E247-G249 VanDerWaalsContact C-N 3.32Å
248	D	69.8	Low	79.8	Confident	103 Å²	103	59.6 Å²	59.6	55%	0.551	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	6.4	175.2	69.4	-16.9	0	0	0	113.6	G246 K250	G246-D248 PolarHBondContact O-N 2.85Å; D248-K250 PolarHBondContact O-N 2.87Å; D248-K250 WeakPolarHBondContact OD1-CB 3.46Å; D248-K250 PolarHBondContact OD1-N 3.18Å; D248-K250 VanDerWaalsContact OD1-N 3.1Å; D248-K250 VanDerWaalsContact OD2-CD 3.24Å; D248-K250 WeakPolarHBondContact OD2-CD 3.44Å; D248-K250 WeakPolarHBondContact OD2-CE 3.25Å; D248-K250 WeakPolarHBondContact OD2-CG 3.39Å; D248-K250 IonicContact OD2-NZ 3.3Å; D248-K250 PolarHBondContact OD2-NZ 3.07Å
249	G	62.6	Low	80	Confident	60 Å²	60	58.8 Å²	58.8	62%	0.619	33%	0.328	S	S	*	.	S	Bend	trans	77.5	0.9	-177	0	0	0	0	0	114.4	G246 E247	G246-G249 PolarHBondContact O-N 3.45Å; E247-G249 VanDerWaalsContact C-N 3.32Å
250	K	65.5	Low	80.4	Confident	140 Å²	140	58.6 Å²	58.6	61%	0.609	33%	0.326	S	S	*	.			trans	-83.9	136.6	176.8	-64.6	-176.4	-168.6	153.9	0	110.9	G246 D248 T252	G246-K250 WeakPolarHBondContact CA-O 3.29Å; G246-K250 PolarHBondContact N-O 3.07Å; D248-K250 PolarHBondContact O-N 2.87Å; D248-K250 WeakPolarHBondContact OD1-CB 3.46Å; D248-K250 PolarHBondContact OD1-N 3.18Å; D248-K250 VanDerWaalsContact OD1-N 3.1Å; D248-K250 VanDerWaalsContact OD2-CD 3.24Å; D248-K250 WeakPolarHBondContact OD2-CD 3.44Å; D248-K250 WeakPolarHBondContact OD2-CE 3.25Å; D248-K250 WeakPolarHBondContact OD2-CG 3.39Å; D248-K250 IonicContact OD2-NZ 3.3Å; D248-K250 PolarHBondContact OD2-NZ 3.07Å; K250-T252 PolarHBondContact O-N 2.84Å
251	I	69.8	Low	80.7	Confident	105 Å²	105	57.4 Å²	57.4	54%	0.538	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	124.1	174	-67.8	173.5	0	0	0	109.2	Q243	Q243-I251 HydrophobicContact CB-CG2 3.49Å; Q243-I251 VanDerWaalsContact CB-CG2 3.49Å; Q243-I251 HydrophobicContact CG-CG2 3.88Å
252	T	72.3	Confident	81.3	Confident	62 Å²	62	53.5 Å²	53.5	38%	0.38	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	115	173.8	52	0	0	0	0	109.4	R244 K250	R244-T252 PolarHBondContact N-O 2.95Å; R244-T252 PolarHBondContact O-N 3.37Å; R244-T252 PolarHBondContact O-OG1 3.18Å; K250-T252 PolarHBondContact O-N 2.84Å
253	P	77.4	Confident	82.1	Confident	29 Å²	29	53.1 Å²	53.1	19%	0.188	29%	0.287	C	S	.	.			trans	-68.3	151.6	177	-19.5	33.1	0	0	0	111.8	G281 R284	P253-G281 WeakPolarHBondContact CB-O 3.44Å; P253-G281 WeakPolarHBondContact CG-O 3.15Å; P253-R284 HydrophobicContact CB-CB 4.16Å; P253-R284 VanDerWaalsContact O-CB 3.23Å; P253-R284 WeakPolarHBondContact O-CB 3.38Å
254	G	88.8	Confident	82.8	Confident	10 Å²	10	50.5 Å²	50.5	10%	0.103	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-172.5	-177.3	0	0	0	0	0	114.7	R284 D368	G254-R284 PolarHBondContact O-N 3.39Å; G254-D368 WeakPolarHBondContact CA-OD2 3.34Å
255	R	95.8	Very high	84.1	Confident	28 Å²	28	43.6 Å²	43.6	11%	0.106	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	129.3	172.4	-169.5	-177.7	85.8	-166.2	6.1	110.4	D257 E285 R287 T363 G366 D368 L369	R255-D257 IonicContact CZ-OD1 2.86Å; R255-D257 IonicContact NE-OD1 3.3Å; R255-D257 PolarHBondContact NE-OD1 2.65Å; R255-D257 IonicContact NH2-OD1 2.82Å; R255-D257 PolarHBondContact NH2-OD1 3.46Å; R255-D257 IonicContact NH2-OD2 2.76Å; R255-E285 WeakPolarHBondContact CA-O 3.29Å; R255-E285 HydrophobicContact CG-CB 4.12Å; R255-E285 HydrophobicContact CG-CG 4.16Å; R255-R287 HydrophobicContact CG-CG 4.41Å; R255-T363 PolarHBondContact NH2-O 3.04Å; R255-G366 VanDerWaalsContact CZ-O 3.28Å; R255-D368 PolarHBondContact N-OD2 3.1Å; R255-D368 PolarHBondContact O-N 2.83Å; R255-L369 PolarHBondContact O-N 3.4Å
256	V	98.6	Very high	85.6	Confident	2 Å²	2	39 Å²	39	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	126.5	174	179.1	0	0	0	0	109.3	L239 I258 L277 A283 E285 V286 R287 L369 L371	L239-V256 HydrophobicContact CD2-CG2 3.62Å; V256-I258 HydrophobicContact CG1-CG1 4.32Å; V256-L277 HydrophobicContact CB-CD1 4.45Å; V256-L277 HydrophobicContact CG1-CD1 4.08Å; V256-L277 HydrophobicContact CG2-CD1 4.37Å; V256-A283 HydrophobicContact CB-CB 4.34Å; V256-A283 HydrophobicContact CG2-CB 3.78Å; V256-E285 PolarHBondContact N-O 2.77Å; V256-V286 CarbonylContact O-C 3.57Å; V256-V286 VanDerWaalsContact O-CA 3.23Å; V256-V286 WeakPolarHBondContact O-CA 3.2Å; V256-R287 PolarHBondContact O-N 3.49Å; V256-L369 WeakPolarHBondContact CA-O 3Å; V256-L369 HydrophobicContact CG2-CB 4.45Å; V256-L371 HydrophobicContact CG1-CD1 4.47Å; V256-L371 HydrophobicContact CG1-CG 4.49Å
257	D	98.9	Very high	87.3	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	136.7	174.4	-72	55.7	0	0	0	108.8	R255 R287 H289 A367 L369 I370 L371	R255-D257 IonicContact CZ-OD1 2.86Å; R255-D257 IonicContact NE-OD1 3.3Å; R255-D257 PolarHBondContact NE-OD1 2.65Å; R255-D257 IonicContact NH2-OD1 2.82Å; R255-D257 PolarHBondContact NH2-OD1 3.46Å; R255-D257 IonicContact NH2-OD2 2.76Å; D257-R287 CarbonylContact C-O 3.43Å; D257-R287 VanDerWaalsContact CA-O 3.3Å; D257-R287 WeakPolarHBondContact CA-O 3.45Å; D257-H289 IonicContact OD2-CD2 3.73Å; D257-H289 IonicContact OD2-CE1 3.82Å; D257-H289 IonicContact OD2-NE2 2.97Å; D257-H289 PolarHBondContact OD2-NE2 2.84Å; D257-A367 HydrophobicContact CB-CB 4.22Å; D257-A367 VanDerWaalsContact OD1-CB 3.28Å; D257-A367 WeakPolarHBondContact OD1-CB 3.32Å; D257-L369 PolarHBondContact N-O 2.67Å; D257-I370 HydrophobicContact CB-CG1 4.23Å; D257-I370 HydrophobicContact CB-CG2 4.17Å; D257-I370 CarbonylContact O-C 3.04Å; D257-I370 WeakPolarHBondContact O-CA 3.41Å; D257-L371 PolarHBondContact O-N 2.92Å
258	I	98.9	Very high	89.3	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	110.4	177	-53.6	-177.8	0	0	0	108.2	V256 L260 A274 V286 R287 F288 H289 L371 K373	V256-I258 HydrophobicContact CG1-CG1 4.32Å; I258-L260 HydrophobicContact CG2-CD2 3.91Å; I258-L260 PolarHBondContact O-N 2.84Å; I258-A274 HydrophobicContact CD1-CB 4.21Å; I258-V286 HydrophobicContact CD1-CG1 3.88Å; I258-V286 HydrophobicContact CG1-CG1 4.11Å; I258-R287 PolarHBondContact N-O 3.06Å; I258-F288 HydrophobicContact CB-CD1 4.19Å; I258-F288 HydrophobicContact CD1-CD1 4.4Å; I258-F288 HydrophobicContact CD1-CE1 3.92Å; I258-F288 CarbonylContact O-C 3.47Å; I258-F288 WeakPolarHBondContact O-CA 3.5Å; I258-H289 PolarHBondContact O-N 3.16Å; I258-L371 CarbonylContact C-O 3.5Å; I258-L371 WeakPolarHBondContact CA-O 3.07Å; I258-L371 HydrophobicContact CG1-CB 4.35Å; I258-L371 HydrophobicContact CG1-CD1 4.36Å; I258-L371 HydrophobicContact CG2-CB 4.46Å; I258-K373 HydrophobicContact CG2-CG 4.1Å
259	V	98.9	Very high	90.6	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	105.8	172.7	-172.9	0	0	0	0	108.4	H289 W344 I370 L371 F372 K373 N377	V259-H289 HydrophobicContact CB-CB 4.48Å; V259-H289 HydrophobicContact CG1-CB 4.47Å; V259-H289 HydrophobicContact CG2-CB 4.18Å; V259-W344 HydrophobicContact CB-CH2 4.41Å; V259-W344 HydrophobicContact CG1-CD2 4.33Å; V259-W344 HydrophobicContact CG1-CE3 3.89Å; V259-W344 HydrophobicContact CG1-CH2 3.84Å; V259-W344 HydrophobicContact CG1-CZ2 4.26Å; V259-W344 HydrophobicContact CG1-CZ3 3.65Å; V259-W344 HydrophobicContact CG2-CH2 3.62Å; V259-W344 HydrophobicContact CG2-CZ2 3.99Å; V259-W344 HydrophobicContact CG2-CZ3 4.24Å; V259-I370 HydrophobicContact CG2-CG2 3.98Å; V259-L371 PolarHBondContact N-O 3.16Å; V259-F372 HydrophobicContact CB-CD1 3.67Å; V259-F372 HydrophobicContact CB-CE1 3.94Å; V259-F372 HydrophobicContact CB-CG 4.36Å; V259-F372 HydrophobicContact CG1-CD1 3.99Å; V259-F372 HydrophobicContact CG1-CE1 4.14Å; V259-F372 HydrophobicContact CG2-CD1 3.8Å; V259-F372 HydrophobicContact CG2-CE1 3.57Å; V259-F372 HydrophobicContact CG2-CG 4.47Å; V259-F372 HydrophobicContact CG2-CZ 4.05Å; V259-K373 WeakPolarHBondContact O-CB 3.34Å; V259-K373 PolarHBondContact O-N 3.33Å; V259-N377 WeakPolarHBondContact CG1-OD1 3.47Å; V259-N377 PolarHBondContact O-ND2 3.41Å
260	L	98.9	Very high	92.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.104	C	C	.	.			trans	-74.6	152.8	-168.3	-66.3	171.8	0	0	0	112.6	I258 L267 D270 F288 H289 K291 V300 F305 Y338 N377	I258-L260 HydrophobicContact CG2-CD2 3.91Å; I258-L260 PolarHBondContact O-N 2.84Å; L260-L267 HydrophobicContact CD1-CD1 4.1Å; L260-L267 HydrophobicContact CD2-CD1 4.04Å; L260-D270 HydrophobicContact CD2-CB 4.1Å; L260-F288 HydrophobicContact CD1-CB 3.96Å; L260-F288 HydrophobicContact CD1-CD1 4.29Å; L260-F288 HydrophobicContact CD2-CD1 4.13Å; L260-F288 HydrophobicContact CG-CD1 4.43Å; L260-H289 WeakPolarHBondContact CB-O 3.32Å; L260-H289 PolarHBondContact N-O 3.35Å; L260-K291 PolarHBondContact O-NZ 3.03Å; L260-V300 HydrophobicContact CB-CB 4.18Å; L260-V300 HydrophobicContact CB-CG2 4.23Å; L260-V300 HydrophobicContact CD1-CB 4.04Å; L260-V300 HydrophobicContact CD1-CG1 3.83Å; L260-V300 HydrophobicContact CD1-CG2 4.31Å; L260-F305 HydrophobicContact CD1-CD2 4.43Å; L260-Y338 HydrophobicContact CD1-CE2 4.33Å; L260-N377 PolarHBondContact O-ND2 2.87Å
261	D	98.5	Very high	93.9	Very high	10 Å²	10	13.2 Å²	13.2	5%	0.053	8%	0.075	C	C	.	.			trans	-108.6	-104	169.2	-163.4	35	0	0	0	108.2	D299 V300 K373 G374	D261-D299 CarbonylContact O-C 3.44Å; D261-D299 WeakPolarHBondContact O-CA 3.48Å; D261-V300 PolarHBondContact O-N 3.43Å; D261-K373 HydrophobicContact CB-CB 3.8Å; D261-G374 WeakPolarHBondContact OD2-CA 3.42Å
262	N	98.3	Very high	95.3	Very high	14 Å²	14	8.3 Å²	8.3	8%	0.075	5%	0.05	C	C	.	.	B	Isolated β-bridge	trans	-90.2	147.9	-169.8	-54.6	-65.6	0	0	0	115	N198 E266 L267 S298 V300	N198-N262 PolarHBondContact ND2-ND2 3.05Å; N262-E266 HydrophobicContact CB-CB 4.21Å; N262-E266 WeakPolarHBondContact CB-OE2 3.47Å; N262-E266 PolarHBondContact ND2-OE2 3.15Å; N262-L267 WeakPolarHBondContact O-CB 3.48Å; N262-L267 PolarHBondContact O-N 3.37Å; N262-L267 VanDerWaalsContact O-N 3.14Å; N262-S298 CarbonylContact C-O 3.57Å; N262-S298 VanDerWaalsContact CA-O 3.31Å; N262-S298 WeakPolarHBondContact CA-O 3.47Å; N262-S298 WeakPolarHBondContact OD1-CB 3.44Å; N262-S298 PolarHBondContact OD1-OG 2.86Å; N262-V300 WeakPolarHBondContact O-CG2 3.37Å
263	A	97.3	Very high	96.6	Very high	7 Å²	7	5.4 Å²	5.4	6%	0.058	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-168.2	164.1	0	0	0	0	0	111.2	K150 S298 V300 D304	K150-A263 HydrophobicContact CB-CB 4.12Å; K150-A263 HydrophobicContact CD-CB 3.87Å; K150-A263 HydrophobicContact CG-CB 4.06Å; A263-S298 WeakPolarHBondContact CB-O 3.35Å; A263-S298 PolarHBondContact N-O 2.71Å; A263-V300 HydrophobicContact CB-CG2 4.15Å; A263-D304 HydrophobicContact CB-CB 4.05Å
264	G	95.1	Very high	97.6	Very high	1 Å²	1	4 Å²	4	1%	0.01	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	-137.4	-178.7	0	0	0	0	0	111.9	V268	G264-V268 PolarHBondContact O-N 3.06Å
265	F	94.9	Very high	98	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-66.9	-35.8	-176.6	-174.5	-112.8	0	0	0	113.3	A160 V161 L164 G197 C200 D201 P216 L267 V268 T269	A160-F265 HydrophobicContact CB-CD2 4.11Å; A160-F265 HydrophobicContact CB-CE2 3.44Å; A160-F265 VanDerWaalsContact CB-CE2 3.44Å; A160-F265 HydrophobicContact CB-CZ 3.74Å; V161-F265 HydrophobicContact CG2-CD2 3.84Å; V161-F265 HydrophobicContact CG2-CE2 4.23Å; L164-F265 HydrophobicContact CD1-CE2 3.72Å; L164-F265 HydrophobicContact CD1-CZ 3.57Å; L164-F265 HydrophobicContact CG-CZ 4.43Å; G197-F265 WeakPolarHBondContact O-CD1 3.49Å; C200-F265 HydrophobicContact CB-CD1 4.14Å; C200-F265 HydrophobicContact CB-CE1 3.63Å; D201-F265 HydrophobicContact CB-CB 4.12Å; D201-F265 HydrophobicContact CB-CD1 4.4Å; D201-F265 VanDerWaalsContact OD1-CB 3.27Å; D201-F265 WeakPolarHBondContact OD1-CB 3.07Å; P216-F265 HydrophobicContact CB-CZ 4.19Å; P216-F265 HydrophobicContact CG-CE1 4.46Å; P216-F265 HydrophobicContact CG-CE2 4.48Å; P216-F265 HydrophobicContact CG-CZ 3.68Å; F265-L267 PolarHBondContact O-N 2.85Å; F265-V268 WeakPolarHBondContact O-CB 3.26Å; F265-V268 PolarHBondContact O-N 3.33Å; F265-V268 VanDerWaalsContact O-N 3.1Å; F265-T269 HydrophobicContact CD1-CG2 4.12Å; F265-T269 HydrophobicContact CE1-CG2 3.68Å; F265-T269 HydrophobicContact CE2-CG2 4.39Å; F265-T269 HydrophobicContact CZ-CG2 3.83Å; F265-T269 WeakPolarHBondContact O-CG2 3.48Å; F265-T269 PolarHBondContact O-N 3.24Å
266	E	97	Very high	98.1	Very high	7 Å²	7	2.2 Å²	2.2	3%	0.033	1%	0.013	C	C	.	.	H	α-helix	trans	-60.5	-48.2	179.5	-175.4	172.8	174.9	0	0	111.5	N198 N262 V268 T269 D270 K373	N198-E266 WeakPolarHBondContact CB-OE2 3.21Å; N198-E266 PolarHBondContact ND2-OE2 3.34Å; N262-E266 HydrophobicContact CB-CB 4.21Å; N262-E266 WeakPolarHBondContact CB-OE2 3.47Å; N262-E266 PolarHBondContact ND2-OE2 3.15Å; E266-V268 VanDerWaalsContact C-N 3.27Å; E266-V268 PolarHBondContact O-N 2.89Å; E266-T269 WeakPolarHBondContact O-CB 3.36Å; E266-T269 PolarHBondContact O-N 2.99Å; E266-T269 PolarHBondContact O-OG1 2.6Å; E266-D270 PolarHBondContact O-N 2.83Å; E266-D270 VanDerWaalsContact O-N 3.1Å; E266-K373 IonicContact OE1-NZ 3.68Å; E266-K373 PolarHBondContact OE1-NZ 2.8Å
267	L	98.6	Very high	98.1	Very high	0 Å²	0	2.1 Å²	2.1	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-56.3	-41.3	173.6	174.4	60.6	0	0	0	112	L260 N262 F265 T269 D270 L271 V300 F305 T308	L260-L267 HydrophobicContact CD1-CD1 4.1Å; L260-L267 HydrophobicContact CD2-CD1 4.04Å; N262-L267 WeakPolarHBondContact O-CB 3.48Å; N262-L267 PolarHBondContact O-N 3.37Å; N262-L267 VanDerWaalsContact O-N 3.14Å; F265-L267 PolarHBondContact O-N 2.85Å; L267-T269 VanDerWaalsContact C-N 3.29Å; L267-T269 PolarHBondContact O-N 3.39Å; L267-D270 PolarHBondContact O-N 2.95Å; L267-D270 VanDerWaalsContact O-N 3.15Å; L267-L271 HydrophobicContact CD1-CD1 4.32Å; L267-L271 HydrophobicContact CD1-CD2 4.19Å; L267-L271 HydrophobicContact CD1-CG 4.02Å; L267-L271 HydrophobicContact CG-CD1 4.17Å; L267-L271 HydrophobicContact CG-CG 4.3Å; L267-L271 VanDerWaalsContact O-CG 3.29Å; L267-L271 WeakPolarHBondContact O-CG 3.31Å; L267-L271 PolarHBondContact O-N 3.46Å; L267-V300 HydrophobicContact CB-CG2 4.12Å; L267-V300 HydrophobicContact CD1-CG1 4.43Å; L267-V300 HydrophobicContact CD1-CG2 4.21Å; L267-V300 HydrophobicContact CD2-CG1 4.03Å; L267-V300 HydrophobicContact CD2-CG2 4.09Å; L267-V300 HydrophobicContact CG-CG2 4.36Å; L267-F305 HydrophobicContact CD1-CD2 4.15Å; L267-T308 HydrophobicContact CD2-CG2 4.12Å; L267-T308 HydrophobicContact CG-CG2 4.38Å
268	V	98.4	Very high	97.9	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-58.3	-42.6	175.4	169.5	0	0	0	0	111.2	F154 V161 G264 F265 E266 D270 L271 V272 T308 W327	F154-V268 HydrophobicContact CD2-CG2 4.09Å; F154-V268 HydrophobicContact CE2-CG2 3.85Å; V161-V268 HydrophobicContact CB-CG1 4.44Å; V161-V268 HydrophobicContact CG1-CG1 3.97Å; V161-V268 HydrophobicContact CG1-CG2 4.48Å; V161-V268 HydrophobicContact CG2-CB 4.4Å; V161-V268 HydrophobicContact CG2-CG1 4.06Å; V161-V268 HydrophobicContact CG2-CG2 4.09Å; G264-V268 PolarHBondContact O-N 3.06Å; F265-V268 WeakPolarHBondContact O-CB 3.26Å; F265-V268 PolarHBondContact O-N 3.33Å; F265-V268 VanDerWaalsContact O-N 3.1Å; E266-V268 VanDerWaalsContact C-N 3.27Å; E266-V268 PolarHBondContact O-N 2.89Å; V268-D270 VanDerWaalsContact C-N 3.28Å; V268-D270 PolarHBondContact O-N 3.35Å; V268-L271 PolarHBondContact O-N 2.94Å; V268-V272 HydrophobicContact CG1-CG2 4.31Å; V268-V272 WeakPolarHBondContact O-CB 3.35Å; V268-V272 VanDerWaalsContact O-CG2 3.28Å; V268-V272 WeakPolarHBondContact O-CG2 3.18Å; V268-V272 PolarHBondContact O-N 3.13Å; V268-T308 HydrophobicContact CG2-CG2 3.87Å; V268-W327 HydrophobicContact CG1-CH2 4.27Å
269	T	98.3	Very high	97.7	Very high	1 Å²	1	4.5 Å²	4.5	1%	0.006	3%	0.028	C	C	.	.	H	α-helix	trans	-62.3	-37.1	177.8	66.7	0	0	0	0	112.4	L164 V193 S194 F265 E266 L267 V272 L273	L164-T269 HydrophobicContact CD1-CG2 3.9Å; V193-T269 HydrophobicContact CG1-CG2 3.63Å; S194-T269 WeakPolarHBondContact CA-OG1 3.46Å; F265-T269 HydrophobicContact CD1-CG2 4.12Å; F265-T269 HydrophobicContact CE1-CG2 3.68Å; F265-T269 HydrophobicContact CE2-CG2 4.39Å; F265-T269 HydrophobicContact CZ-CG2 3.83Å; F265-T269 WeakPolarHBondContact O-CG2 3.48Å; F265-T269 PolarHBondContact O-N 3.24Å; E266-T269 WeakPolarHBondContact O-CB 3.36Å; E266-T269 PolarHBondContact O-N 2.99Å; E266-T269 PolarHBondContact O-OG1 2.6Å; L267-T269 VanDerWaalsContact C-N 3.29Å; L267-T269 PolarHBondContact O-N 3.39Å; T269-V272 PolarHBondContact O-N 3.16Å; T269-L273 PolarHBondContact O-N 2.83Å
270	D	98.8	Very high	97.4	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-70.1	-40.7	177.4	-64	-28	0	0	0	111.9	S194 L260 E266 L267 V268 V272 L273 A274 K373	S194-D270 PolarHBondContact OG-OD1 3.16Å; L260-D270 HydrophobicContact CD2-CB 4.1Å; E266-D270 PolarHBondContact O-N 2.83Å; E266-D270 VanDerWaalsContact O-N 3.1Å; L267-D270 PolarHBondContact O-N 2.95Å; L267-D270 VanDerWaalsContact O-N 3.15Å; V268-D270 VanDerWaalsContact C-N 3.28Å; V268-D270 PolarHBondContact O-N 3.35Å; D270-V272 VanDerWaalsContact C-N 3.34Å; D270-L273 PolarHBondContact O-N 3.11Å; D270-A274 WeakPolarHBondContact O-CB 3.21Å; D270-A274 PolarHBondContact O-N 2.85Å; D270-K373 VanDerWaalsContact CG-NZ 3.3Å; D270-K373 WeakPolarHBondContact OD1-CD 3.38Å; D270-K373 WeakPolarHBondContact OD1-CE 3.35Å; D270-K373 IonicContact OD1-NZ 2.84Å; D270-K373 PolarHBondContact OD1-NZ 2.81Å; D270-K373 IonicContact OD2-NZ 3.96Å; D270-K373 PolarHBondContact OD2-NZ 2.91Å; D270-K373 VanDerWaalsContact OD2-NZ 3.1Å
271	L	98.9	Very high	97.1	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-66	-36.7	174	-61.5	178.6	0	0	0	111.8	L267 V268 A274 N275 F288 F305 T308 I309 W327 W336	L267-L271 HydrophobicContact CD1-CD1 4.32Å; L267-L271 HydrophobicContact CD1-CD2 4.19Å; L267-L271 HydrophobicContact CD1-CG 4.02Å; L267-L271 HydrophobicContact CG-CD1 4.17Å; L267-L271 HydrophobicContact CG-CG 4.3Å; L267-L271 VanDerWaalsContact O-CG 3.29Å; L267-L271 WeakPolarHBondContact O-CG 3.31Å; L267-L271 PolarHBondContact O-N 3.46Å; V268-L271 PolarHBondContact O-N 2.94Å; L271-A274 PolarHBondContact O-N 2.6Å; L271-N275 WeakPolarHBondContact O-CB 3.48Å; L271-N275 PolarHBondContact O-N 3.45Å; L271-F288 HydrophobicContact CD2-CD1 4.46Å; L271-F288 HydrophobicContact CD2-CE1 3.76Å; L271-F288 HydrophobicContact CD2-CE2 4.41Å; L271-F288 HydrophobicContact CD2-CZ 3.72Å; L271-F305 HydrophobicContact CD2-CD2 4.26Å; L271-F305 HydrophobicContact CD2-CE2 3.52Å; L271-F305 HydrophobicContact CD2-CZ 4.13Å; L271-T308 HydrophobicContact CD1-CG2 4.05Å; L271-I309 HydrophobicContact CD1-CG1 4.1Å; L271-W327 HydrophobicContact CB-CD2 4.21Å; L271-W327 HydrophobicContact CB-CE3 4.26Å; L271-W327 HydrophobicContact CB-CH2 3.69Å; L271-W327 HydrophobicContact CB-CZ2 3.63Å; L271-W327 HydrophobicContact CB-CZ3 4.01Å; L271-W327 HydrophobicContact CD1-CD2 4.42Å; L271-W327 HydrophobicContact CD1-CE3 3.77Å; L271-W327 HydrophobicContact CD1-CH2 4.06Å; L271-W327 HydrophobicContact CD1-CZ3 3.55Å; L271-W327 HydrophobicContact CG-CZ3 4.44Å; L271-W336 HydrophobicContact CB-CH2 4.03Å; L271-W336 HydrophobicContact CB-CZ3 4.2Å; L271-W336 HydrophobicContact CD2-CE3 4.29Å; L271-W336 HydrophobicContact CD2-CH2 4.19Å; L271-W336 HydrophobicContact CD2-CZ3 3.67Å; L271-W336 HydrophobicContact CG-CZ3 4.41Å; L271-W336 VanDerWaalsContact O-CH2 3.23Å; L271-W336 WeakPolarHBondContact O-CH2 3.49Å
272	V	98.7	Very high	96.9	Very high	1 Å²	1	6.5 Å²	6.5	1%	0.006	5%	0.048	C	C	.	.	H	α-helix	trans	-64.6	-45.2	173.9	167.7	0	0	0	0	110.9	L164 L168 L190 V268 T269 D270 N275 F276 W327	L164-V272 HydrophobicContact CB-CG2 4.26Å; L168-V272 HydrophobicContact CD1-CG1 4.45Å; L168-V272 HydrophobicContact CD2-CG1 4.33Å; L168-V272 HydrophobicContact CD2-CG2 4.41Å; L190-V272 HydrophobicContact CD2-CG1 3.96Å; V268-V272 HydrophobicContact CG1-CG2 4.31Å; V268-V272 WeakPolarHBondContact O-CB 3.35Å; V268-V272 VanDerWaalsContact O-CG2 3.28Å; V268-V272 WeakPolarHBondContact O-CG2 3.18Å; V268-V272 PolarHBondContact O-N 3.13Å; T269-V272 PolarHBondContact O-N 3.16Å; D270-V272 VanDerWaalsContact C-N 3.34Å; V272-N275 PolarHBondContact O-N 2.75Å; V272-F276 PolarHBondContact O-N 3.47Å; V272-W327 HydrophobicContact CG2-CH2 4.42Å; V272-W327 HydrophobicContact CG2-CZ2 3.91Å
273	L	98.8	Very high	96.7	Very high	1 Å²	1	5.9 Å²	5.9	1%	0.005	5%	0.045	C	C	.	.	H	α-helix	trans	-60.6	-48.5	175.1	176.4	60.9	0	0	0	111	F187 L190 L191 T269 D270 N275 F276 L277 L371	F187-L273 HydrophobicContact CD2-CD1 4.41Å; F187-L273 HydrophobicContact CE2-CD1 4.38Å; L190-L273 HydrophobicContact CB-CD1 4.01Å; L191-L273 HydrophobicContact CD1-CD2 4.05Å; T269-L273 PolarHBondContact O-N 2.83Å; D270-L273 PolarHBondContact O-N 3.11Å; L273-N275 PolarHBondContact O-N 3.35Å; L273-F276 WeakPolarHBondContact O-CB 3.41Å; L273-F276 PolarHBondContact O-N 2.94Å; L273-L277 HydrophobicContact CD1-CG 4.41Å; L273-L277 HydrophobicContact CG-CD1 4.35Å; L273-L277 WeakPolarHBondContact O-CG 3.39Å; L273-L277 PolarHBondContact O-N 2.98Å; L273-L371 HydrophobicContact CD2-CD1 3.89Å
274	A	98.8	Very high	96.6	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-58.4	-37.2	176.3	0	0	0	0	0	112.4	I258 D270 L271 L277 V278 V286 F288 W336	I258-A274 HydrophobicContact CD1-CB 4.21Å; D270-A274 WeakPolarHBondContact O-CB 3.21Å; D270-A274 PolarHBondContact O-N 2.85Å; L271-A274 PolarHBondContact O-N 2.6Å; A274-L277 PolarHBondContact O-N 2.68Å; A274-V278 WeakPolarHBondContact O-CG2 3.28Å; A274-V278 PolarHBondContact O-N 3.34Å; A274-V278 VanDerWaalsContact O-N 3.1Å; A274-V286 HydrophobicContact CB-CB 4.42Å; A274-V286 HydrophobicContact CB-CG1 3.91Å; A274-V286 HydrophobicContact CB-CG2 4.26Å; A274-F288 HydrophobicContact CB-CE1 3.99Å; A274-F288 HydrophobicContact CB-CZ 3.48Å; A274-F288 VanDerWaalsContact CB-CZ 3.48Å; A274-W336 HydrophobicContact CB-CH2 4.17Å; A274-W336 HydrophobicContact CB-CZ2 3.49Å; A274-W336 VanDerWaalsContact CB-CZ2 3.49Å
275	N	98.6	Very high	96.7	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-68	-43.4	179.6	-174.6	113.9	0	0	0	109.9	L168 L271 V272 L273 V278 S279 W327 Y330 W336	L168-N275 HydrophobicContact CD1-CB 4.42Å; L168-N275 HydrophobicContact CD2-CB 3.84Å; L271-N275 WeakPolarHBondContact O-CB 3.48Å; L271-N275 PolarHBondContact O-N 3.45Å; V272-N275 PolarHBondContact O-N 2.75Å; L273-N275 PolarHBondContact O-N 3.35Å; N275-V278 PolarHBondContact O-N 3.08Å; N275-S279 PolarHBondContact ND2-OG 2.82Å; N275-S279 VanDerWaalsContact O-CB 3.29Å; N275-S279 WeakPolarHBondContact O-CB 3.32Å; N275-S279 PolarHBondContact O-N 3.14Å; N275-S279 PolarHBondContact O-OG 3.4Å; N275-W327 PolarHBondContact OD1-NE1 3.1Å; N275-Y330 HydrophobicContact CB-CE2 4.44Å; N275-Y330 WeakPolarHBondContact OD1-CE2 3.32Å; N275-W336 HydrophobicContact CB-CH2 4.28Å; N275-W336 HydrophobicContact CB-CZ2 4Å
276	F	97.7	Very high	96.9	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-59.5	-47.3	174.8	168.1	-91.8	0	0	0	111.1	L168 F171 L183 Q186 F187 L190 V272 L273 V278 S279 A280 L282	L168-F276 HydrophobicContact CD1-CB 4.28Å; F171-F276 AromaticContact CD1-CD2 3.98Å; F171-F276 HydrophobicContact CD1-CD2 3.98Å; F171-F276 HydrophobicContact CD1-CE2 4.42Å; F171-F276 HydrophobicContact CD2-CD2 4.49Å; F171-F276 HydrophobicContact CD2-CE2 4.24Å; F171-F276 AromaticContact CE1-CD2 3.54Å; F171-F276 HydrophobicContact CE1-CD2 3.54Å; F171-F276 AromaticContact CE1-CE2 3.8Å; F171-F276 HydrophobicContact CE1-CE2 3.8Å; F171-F276 HydrophobicContact CE2-CD2 4.07Å; F171-F276 AromaticContact CE2-CE2 3.54Å; F171-F276 HydrophobicContact CE2-CE2 3.54Å; F171-F276 HydrophobicContact CG-CD2 4.45Å; F171-F276 AromaticContact CZ-CD2 3.6Å; F171-F276 HydrophobicContact CZ-CD2 3.6Å; F171-F276 AromaticContact CZ-CE2 3.31Å; F171-F276 HydrophobicContact CZ-CE2 3.31Å; F171-F276 HydrophobicContact CZ-CZ 4.4Å; L183-F276 HydrophobicContact CD1-CE2 3.87Å; L183-F276 HydrophobicContact CD1-CZ 3.72Å; L183-F276 HydrophobicContact CG-CZ 4.31Å; Q186-F276 HydrophobicContact CB-CE2 3.64Å; Q186-F276 HydrophobicContact CB-CZ 3.94Å; F187-F276 HydrophobicContact CB-CE1 3.7Å; F187-F276 HydrophobicContact CB-CZ 3.98Å; F187-F276 HydrophobicContact CD2-CE1 4.1Å; F187-F276 HydrophobicContact CG-CE1 4.41Å; L190-F276 HydrophobicContact CD1-CB 3.38Å; L190-F276 HydrophobicContact CD1-CD1 4.08Å; L190-F276 HydrophobicContact CD1-CD2 3.55Å; L190-F276 HydrophobicContact CD1-CE2 4.34Å; L190-F276 HydrophobicContact CD1-CG 3.39Å; V272-F276 PolarHBondContact O-N 3.47Å; L273-F276 WeakPolarHBondContact O-CB 3.41Å; L273-F276 PolarHBondContact O-N 2.94Å; F276-V278 VanDerWaalsContact C-N 3.3Å; F276-V278 PolarHBondContact O-N 3Å; F276-S279 PolarHBondContact O-N 2.82Å; F276-A280 HydrophobicContact CE1-CB 4.44Å; F276-A280 HydrophobicContact CE2-CB 4.39Å; F276-A280 HydrophobicContact CZ-CB 4.27Å; F276-A280 WeakPolarHBondContact O-CB 3.19Å; F276-A280 PolarHBondContact O-N 3.18Å; F276-L282 HydrophobicContact CD1-CD1 4.46Å; F276-L282 HydrophobicContact CE1-CD1 3.68Å; F276-L282 HydrophobicContact CZ-CD1 4.27Å
277	L	97.3	Very high	97	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-56.9	-43.5	179.4	-68.8	173.8	0	0	0	112.1	F187 L239 V256 L273 A274 G281 L282 A283	F187-L277 HydrophobicContact CD2-CD2 4.2Å; F187-L277 HydrophobicContact CE2-CD2 4.17Å; L239-L277 HydrophobicContact CD1-CD2 3.83Å; L239-L277 HydrophobicContact CD2-CD2 4.46Å; V256-L277 HydrophobicContact CB-CD1 4.45Å; V256-L277 HydrophobicContact CG1-CD1 4.08Å; V256-L277 HydrophobicContact CG2-CD1 4.37Å; L273-L277 HydrophobicContact CD1-CG 4.41Å; L273-L277 HydrophobicContact CG-CD1 4.35Å; L273-L277 WeakPolarHBondContact O-CG 3.39Å; L273-L277 PolarHBondContact O-N 2.98Å; A274-L277 PolarHBondContact O-N 2.68Å; L277-G281 PolarHBondContact O-N 3.34Å; L277-L282 HydrophobicContact CD2-CB 4Å; L277-L282 HydrophobicContact CD2-CD1 4.04Å; L277-L282 WeakPolarHBondContact O-CA 3.44Å; L277-L282 WeakPolarHBondContact O-CB 3.44Å; L277-L282 PolarHBondContact O-N 3.46Å; L277-A283 HydrophobicContact CB-CB 3.94Å; L277-A283 PolarHBondContact O-N 3.48Å
278	V	96.3	Very high	97	Very high	25 Å²	25	17.4 Å²	17.4	15%	0.152	9%	0.088	C	C	.	.	H	α-helix	trans	-69.2	-49.1	176.9	173.6	0	0	0	0	111.6	A274 N275 F276 A280 G281 A283 V286 Y330 V335	A274-V278 WeakPolarHBondContact O-CG2 3.28Å; A274-V278 PolarHBondContact O-N 3.34Å; A274-V278 VanDerWaalsContact O-N 3.1Å; N275-V278 PolarHBondContact O-N 3.08Å; F276-V278 VanDerWaalsContact C-N 3.3Å; F276-V278 PolarHBondContact O-N 3Å; V278-A280 VanDerWaalsContact C-N 3.31Å; V278-A280 PolarHBondContact O-N 2.94Å; V278-G281 PolarHBondContact O-N 3.37Å; V278-G281 VanDerWaalsContact O-N 3.09Å; V278-A283 WeakPolarHBondContact CA-O 3.46Å; V278-V286 HydrophobicContact CG2-CG2 3.81Å; V278-Y330 HydrophobicContact CB-CE2 4.41Å; V278-Y330 HydrophobicContact CG1-CD1 4.27Å; V278-Y330 HydrophobicContact CG1-CE1 3.59Å; V278-Y330 HydrophobicContact CG1-CE2 4.28Å; V278-V335 HydrophobicContact CB-CG1 4.43Å; V278-V335 HydrophobicContact CG1-CG1 3.72Å; V278-V335 HydrophobicContact CG2-CG1 3.78Å
279	S	94.3	Very high	97	Very high	26 Å²	26	17.6 Å²	17.6	18%	0.182	9%	0.089	C	C	.	.	H	α-helix	trans	-63	-40.6	-175.8	-57.7	0	0	0	0	111.3	M175 N275 F276 G281 Y330	M175-S279 WeakPolarHBondContact CE-O 3.11Å; N275-S279 PolarHBondContact ND2-OG 2.82Å; N275-S279 VanDerWaalsContact O-CB 3.29Å; N275-S279 WeakPolarHBondContact O-CB 3.32Å; N275-S279 PolarHBondContact O-N 3.14Å; N275-S279 PolarHBondContact O-OG 3.4Å; F276-S279 PolarHBondContact O-N 2.82Å; S279-G281 PolarHBondContact O-N 3.1Å; S279-Y330 PolarHBondContact OG-OH 3.32Å
280	A	93	Very high	97	Very high	20 Å²	20	17.6 Å²	17.6	17%	0.165	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-1.9	177.9	0	0	0	0	0	114.5	F171 L183 F276 V278 L282	F171-A280 HydrophobicContact CZ-CB 4.43Å; L183-A280 HydrophobicContact CD1-CB 3.85Å; L183-A280 HydrophobicContact CD2-CB 4.32Å; F276-A280 HydrophobicContact CE1-CB 4.44Å; F276-A280 HydrophobicContact CE2-CB 4.39Å; F276-A280 HydrophobicContact CZ-CB 4.27Å; F276-A280 WeakPolarHBondContact O-CB 3.19Å; F276-A280 PolarHBondContact O-N 3.18Å; V278-A280 VanDerWaalsContact C-N 3.31Å; V278-A280 PolarHBondContact O-N 2.94Å; A280-L282 HydrophobicContact CB-CD1 3.9Å; A280-L282 HydrophobicContact CB-CG 3.95Å; A280-L282 PolarHBondContact O-N 3.16Å
281	G	91.9	Very high	97	Very high	28 Å²	28	17.7 Å²	17.7	29%	0.289	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	24.4	-175.4	0	0	0	0	0	113.8	Q243 P253 L277 V278 S279	Q243-G281 PolarHBondContact NE2-O 2.81Å; P253-G281 WeakPolarHBondContact CB-O 3.44Å; P253-G281 WeakPolarHBondContact CG-O 3.15Å; L277-G281 PolarHBondContact O-N 3.34Å; V278-G281 PolarHBondContact O-N 3.37Å; V278-G281 VanDerWaalsContact O-N 3.09Å; S279-G281 PolarHBondContact O-N 3.1Å
282	L	93.2	Very high	96.9	Very high	5 Å²	5	19.8 Å²	19.8	3%	0.026	10%	0.104	C	C	.	.	S	Bend	trans	-87.9	-24.2	175.7	-62.8	168.9	0	0	0	111.9	W236 T240 F276 L277 A280	W236-L282 HydrophobicContact CH2-CD1 4.25Å; W236-L282 HydrophobicContact CH2-CD2 4.02Å; W236-L282 HydrophobicContact CZ3-CD1 3.65Å; W236-L282 HydrophobicContact CZ3-CD2 3.99Å; W236-L282 HydrophobicContact CZ3-CG 4.49Å; T240-L282 HydrophobicContact CG2-CD2 4.37Å; F276-L282 HydrophobicContact CD1-CD1 4.46Å; F276-L282 HydrophobicContact CE1-CD1 3.68Å; F276-L282 HydrophobicContact CZ-CD1 4.27Å; L277-L282 HydrophobicContact CD2-CB 4Å; L277-L282 HydrophobicContact CD2-CD1 4.04Å; L277-L282 WeakPolarHBondContact O-CA 3.44Å; L277-L282 WeakPolarHBondContact O-CB 3.44Å; L277-L282 PolarHBondContact O-N 3.46Å; A280-L282 HydrophobicContact CB-CD1 3.9Å; A280-L282 HydrophobicContact CB-CG 3.95Å; A280-L282 PolarHBondContact O-N 3.16Å
283	A	95.7	Very high	96.9	Very high	2 Å²	2	20.8 Å²	20.8	2%	0.017	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	137.7	174.5	0	0	0	0	0	110.7	V256 L277 V278 V286	V256-A283 HydrophobicContact CB-CB 4.34Å; V256-A283 HydrophobicContact CG2-CB 3.78Å; L277-A283 HydrophobicContact CB-CB 3.94Å; L277-A283 PolarHBondContact O-N 3.48Å; V278-A283 WeakPolarHBondContact CA-O 3.46Å; A283-V286 HydrophobicContact CB-CG2 4.09Å
284	R	94.9	Very high	96.9	Very high	167 Å²	167	21.8 Å²	21.8	63%	0.63	12%	0.116	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	-32.2	173.2	-179.9	179.8	66.2	141.6	4.1	111	P253 G254	P253-R284 HydrophobicContact CB-CB 4.16Å; P253-R284 VanDerWaalsContact O-CB 3.23Å; P253-R284 WeakPolarHBondContact O-CB 3.38Å; G254-R284 PolarHBondContact O-N 3.39Å
285	E	96.6	Very high	96.9	Very high	36 Å²	36	21.8 Å²	21.8	17%	0.168	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	137.7	-179.6	179.6	-175	-179.7	0	0	108.6	R255 V256 R287 V335	R255-E285 WeakPolarHBondContact CA-O 3.29Å; R255-E285 HydrophobicContact CG-CB 4.12Å; R255-E285 HydrophobicContact CG-CG 4.16Å; V256-E285 PolarHBondContact N-O 2.77Å; E285-R287 HydrophobicContact CG-CG 4.32Å; E285-R287 IonicContact OE1-CZ 2.81Å; E285-R287 VanDerWaalsContact OE1-CZ 3.27Å; E285-R287 IonicContact OE1-NE 3.42Å; E285-R287 PolarHBondContact OE1-NE 2.98Å; E285-R287 IonicContact OE1-NH2 2.65Å; E285-R287 PolarHBondContact OE1-NH2 3.03Å; E285-R287 IonicContact OE2-NH2 3.2Å; E285-V335 CarbonylContact C-O 3.59Å; E285-V335 VanDerWaalsContact CA-O 3.27Å; E285-V335 WeakPolarHBondContact CA-O 3.46Å
286	V	98.8	Very high	96.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	122	170.6	-173.9	0	0	0	0	109.5	V256 I258 A274 V278 A283 F288 V335 W336 S337	V256-V286 CarbonylContact O-C 3.57Å; V256-V286 VanDerWaalsContact O-CA 3.23Å; V256-V286 WeakPolarHBondContact O-CA 3.2Å; I258-V286 HydrophobicContact CD1-CG1 3.88Å; I258-V286 HydrophobicContact CG1-CG1 4.11Å; A274-V286 HydrophobicContact CB-CB 4.42Å; A274-V286 HydrophobicContact CB-CG1 3.91Å; A274-V286 HydrophobicContact CB-CG2 4.26Å; V278-V286 HydrophobicContact CG2-CG2 3.81Å; A283-V286 HydrophobicContact CB-CG2 4.09Å; V286-F288 HydrophobicContact CB-CE2 4.25Å; V286-F288 HydrophobicContact CB-CZ 4.44Å; V286-F288 HydrophobicContact CG1-CD2 4.42Å; V286-F288 HydrophobicContact CG1-CE1 4.16Å; V286-F288 HydrophobicContact CG1-CE2 3.85Å; V286-F288 HydrophobicContact CG1-CZ 3.73Å; V286-V335 PolarHBondContact N-O 2.6Å; V286-W336 WeakPolarHBondContact O-CA 3.21Å; V286-S337 PolarHBondContact O-N 2.92Å; V286-S337 VanDerWaalsContact O-N 3.1Å
287	R	98.9	Very high	96.8	Very high	54 Å²	54	25 Å²	25	20%	0.204	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	121.6	176	-64.7	-165.4	174.4	-177.1	2.4	110.4	R255 V256 D257 I258 E285 S337	R255-R287 HydrophobicContact CG-CG 4.41Å; V256-R287 PolarHBondContact O-N 3.49Å; D257-R287 CarbonylContact C-O 3.43Å; D257-R287 VanDerWaalsContact CA-O 3.3Å; D257-R287 WeakPolarHBondContact CA-O 3.45Å; I258-R287 PolarHBondContact N-O 3.06Å; E285-R287 HydrophobicContact CG-CG 4.32Å; E285-R287 IonicContact OE1-CZ 2.81Å; E285-R287 VanDerWaalsContact OE1-CZ 3.27Å; E285-R287 IonicContact OE1-NE 3.42Å; E285-R287 PolarHBondContact OE1-NE 2.98Å; E285-R287 IonicContact OE1-NH2 2.65Å; E285-R287 PolarHBondContact OE1-NH2 3.03Å; E285-R287 IonicContact OE2-NH2 3.2Å; R287-S337 WeakPolarHBondContact CA-O 3.42Å
288	F	98.9	Very high	96.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	129.3	175	-60.1	-87.2	0	0	0	109.2	I258 L260 L271 A274 V286 F305 W336 S337 Y338 H339	I258-F288 HydrophobicContact CB-CD1 4.19Å; I258-F288 HydrophobicContact CD1-CD1 4.4Å; I258-F288 HydrophobicContact CD1-CE1 3.92Å; I258-F288 CarbonylContact O-C 3.47Å; I258-F288 WeakPolarHBondContact O-CA 3.5Å; L260-F288 HydrophobicContact CD1-CB 3.96Å; L260-F288 HydrophobicContact CD1-CD1 4.29Å; L260-F288 HydrophobicContact CD2-CD1 4.13Å; L260-F288 HydrophobicContact CG-CD1 4.43Å; L271-F288 HydrophobicContact CD2-CD1 4.46Å; L271-F288 HydrophobicContact CD2-CE1 3.76Å; L271-F288 HydrophobicContact CD2-CE2 4.41Å; L271-F288 HydrophobicContact CD2-CZ 3.72Å; A274-F288 HydrophobicContact CB-CE1 3.99Å; A274-F288 HydrophobicContact CB-CZ 3.48Å; A274-F288 VanDerWaalsContact CB-CZ 3.48Å; V286-F288 HydrophobicContact CB-CE2 4.25Å; V286-F288 HydrophobicContact CB-CZ 4.44Å; V286-F288 HydrophobicContact CG1-CD2 4.42Å; V286-F288 HydrophobicContact CG1-CE1 4.16Å; V286-F288 HydrophobicContact CG1-CE2 3.85Å; V286-F288 HydrophobicContact CG1-CZ 3.73Å; F288-F305 HydrophobicContact CB-CE2 3.98Å; F288-F305 AromaticContact CD1-CE2 4Å; F288-F305 HydrophobicContact CD1-CE2 4Å; F288-F305 AromaticContact CD2-CE2 3.63Å; F288-F305 HydrophobicContact CD2-CE2 3.63Å; F288-F305 AromaticContact CD2-CZ 3.69Å; F288-F305 HydrophobicContact CD2-CZ 3.69Å; F288-F305 HydrophobicContact CE1-CE2 4.37Å; F288-F305 HydrophobicContact CE2-CE2 4.05Å; F288-F305 HydrophobicContact CE2-CZ 4.01Å; F288-F305 HydrophobicContact CG-CD2 4.47Å; F288-F305 AromaticContact CG-CE2 3.58Å; F288-F305 HydrophobicContact CG-CE2 3.58Å; F288-F305 HydrophobicContact CG-CZ 4.13Å; F288-F305 HydrophobicContact CZ-CE2 4.38Å; F288-W336 HydrophobicContact CE2-CB 3.96Å; F288-W336 AromaticContact CE2-CD2 3.62Å; F288-W336 HydrophobicContact CE2-CD2 3.62Å; F288-W336 AromaticContact CE2-CE3 3.83Å; F288-W336 HydrophobicContact CE2-CE3 3.83Å; F288-W336 AromaticContact CE2-CG 3.69Å; F288-W336 HydrophobicContact CE2-CG 3.69Å; F288-W336 AromaticContact CZ-CD2 3.95Å; F288-W336 HydrophobicContact CZ-CD2 3.95Å; F288-W336 HydrophobicContact CZ-CE3 4.06Å; F288-W336 HydrophobicContact CZ-CG 4.4Å; F288-W336 HydrophobicContact CZ-CZ2 4.44Å; F288-W336 HydrophobicContact CZ-CZ3 4.35Å; F288-S337 PolarHBondContact N-O 3.12Å; F288-Y338 HydrophobicContact CB-CD2 4.24Å; F288-Y338 CarbonylContact O-C 3.57Å; F288-Y338 WeakPolarHBondContact O-CA 3.38Å; F288-H339 PolarHBondContact O-N 3.28Å
289	H	98.9	Very high	96.9	Very high	3 Å²	3	25.8 Å²	25.8	1%	0.014	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	115.8	176.1	-63.1	-97.7	0	0	0	109.3	D257 I258 V259 L260 H339 W344	D257-H289 IonicContact OD2-CD2 3.73Å; D257-H289 IonicContact OD2-CE1 3.82Å; D257-H289 IonicContact OD2-NE2 2.97Å; D257-H289 PolarHBondContact OD2-NE2 2.84Å; I258-H289 PolarHBondContact O-N 3.16Å; V259-H289 HydrophobicContact CB-CB 4.48Å; V259-H289 HydrophobicContact CG1-CB 4.47Å; V259-H289 HydrophobicContact CG2-CB 4.18Å; L260-H289 WeakPolarHBondContact CB-O 3.32Å; L260-H289 PolarHBondContact N-O 3.35Å; H289-H339 CarbonylContact C-O 3.54Å; H289-H339 VanDerWaalsContact CA-O 3.26Å; H289-H339 WeakPolarHBondContact CA-O 2.97Å; H289-W344 HydrophobicContact CB-CZ2 3.98Å; H289-W344 AromaticContact ND1-CZ2 3.92Å; H289-W344 AromaticContact ND1-NE1 3.72Å
290	G	98.7	Very high	97.1	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	-165	177.3	0	0	0	0	0	113.3	V300 Y338 H339	G290-V300 WeakPolarHBondContact CA-O 3.26Å; G290-Y338 WeakPolarHBondContact CA-OH 3.16Å; G290-H339 PolarHBondContact N-O 3.12Å
291	K	98.7	Very high	97.4	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.009	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-98	137.6	-171.4	-52.7	-50.7	-172.8	-48.6	0	110.9	L260 I293 W295 D299 V300 T301 Y338 W344 T345	L260-K291 PolarHBondContact O-NZ 3.03Å; K291-I293 VanDerWaalsContact C-N 3.29Å; K291-I293 PolarHBondContact O-N 3.23Å; K291-W295 HydrophobicContact CB-CB 3.93Å; K291-W295 HydrophobicContact CB-CG 4.48Å; K291-W295 HydrophobicContact CD-CG 4.46Å; K291-W295 HydrophobicContact CG-CB 3.89Å; K291-W295 HydrophobicContact CG-CG 4.15Å; K291-D299 WeakPolarHBondContact CE-OD2 3.29Å; K291-D299 HydrophobicContact CG-CB 3.66Å; K291-D299 IonicContact NZ-OD2 2.73Å; K291-D299 PolarHBondContact NZ-OD2 3.49Å; K291-V300 PolarHBondContact N-O 3.29Å; K291-T301 WeakPolarHBondContact O-CA 3.36Å; K291-Y338 PolarHBondContact N-OH 3.42Å; K291-W344 HydrophobicContact CD-CB 3.9Å; K291-T345 HydrophobicContact CB-CG2 3.64Å; K291-T345 HydrophobicContact CD-CG2 4.03Å; K291-T345 HydrophobicContact CG-CG2 4.23Å
292	S	97.2	Very high	97.7	Very high	44 Å²	44	24.6 Å²	24.6	31%	0.308	13%	0.125	S	C	.	.	S	Bend	trans	-74.4	-17.3	179.7	-57.8	0	0	0	0	113.7
293	I	97.8	Very high	98	Very high	23 Å²	23	28.5 Å²	28.5	12%	0.118	14%	0.143	C	C	.	.	S	Bend	trans	-137.9	161.5	179.6	59.2	167.4	0	0	0	109.9	Q131 K291 W295 T345	Q131-I293 HydrophobicContact CB-CD1 4.03Å; Q131-I293 HydrophobicContact CG-CB 4.29Å; Q131-I293 HydrophobicContact CG-CD1 4.16Å; Q131-I293 HydrophobicContact CG-CG2 4.07Å; K291-I293 VanDerWaalsContact C-N 3.29Å; K291-I293 PolarHBondContact O-N 3.23Å; I293-W295 HydrophobicContact CD1-CE3 3.9Å; I293-W295 HydrophobicContact CD1-CZ3 4.02Å; I293-W295 HydrophobicContact CG1-CE3 4.08Å; I293-W295 WeakPolarHBondContact O-CB 3.38Å; I293-W295 PolarHBondContact O-N 3Å; I293-W295 VanDerWaalsContact O-N 3.15Å; I293-T345 HydrophobicContact CG1-CG2 3.8Å
294	P	98.4	Very high	98.1	Very high	21 Å²	21	28.6 Å²	28.6	14%	0.136	14%	0.143	C	C	.	.			trans	-52.7	119.6	168.9	-25.6	34.7	0	0	0	111	D144 F146	D144-P294 HydrophobicContact CB-CG 3.96Å; F146-P294 HydrophobicContact CD2-CB 3.78Å; F146-P294 HydrophobicContact CE2-CB 4.16Å
295	W	98.6	Very high	98.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.114	C	C	.	.			trans	-139	139.9	-164.9	-164.9	-109.8	0	0	0	110.7	W95 C124 Y127 R128 K291 I293 V297 D299 T345	W95-W295 HydrophobicContact CH2-CH2 4.22Å; W95-W295 HydrophobicContact CZ2-CH2 4.05Å; C124-W295 HydrophobicContact CB-CH2 3.63Å; C124-W295 HydrophobicContact CB-CZ2 3.69Å; C124-W295 VanDerWaalsContact O-CH2 3.28Å; C124-W295 WeakPolarHBondContact O-CH2 3.36Å; Y127-W295 HydrophobicContact CG-CE3 4.49Å; R128-W295 HydrophobicContact CB-CZ3 4.49Å; K291-W295 HydrophobicContact CB-CB 3.93Å; K291-W295 HydrophobicContact CB-CG 4.48Å; K291-W295 HydrophobicContact CD-CG 4.46Å; K291-W295 HydrophobicContact CG-CB 3.89Å; K291-W295 HydrophobicContact CG-CG 4.15Å; I293-W295 HydrophobicContact CD1-CE3 3.9Å; I293-W295 HydrophobicContact CD1-CZ3 4.02Å; I293-W295 HydrophobicContact CG1-CE3 4.08Å; I293-W295 WeakPolarHBondContact O-CB 3.38Å; I293-W295 PolarHBondContact O-N 3Å; I293-W295 VanDerWaalsContact O-N 3.15Å; W295-V297 CarbonylContact O-C 3.55Å; W295-V297 PolarHBondContact O-N 3.12Å; W295-D299 HydrophobicContact CB-CB 4.09Å; W295-D299 VanDerWaalsContact O-CB 3.26Å; W295-D299 WeakPolarHBondContact O-CB 3.31Å; W295-D299 PolarHBondContact O-N 3.24Å; W295-D299 VanDerWaalsContact O-N 3.11Å; W295-T345 HydrophobicContact CB-CG2 4.26Å; W295-T345 HydrophobicContact CD2-CG2 3.83Å; W295-T345 HydrophobicContact CE3-CG2 4.05Å; W295-T345 HydrophobicContact CG-CG2 3.95Å; W295-T345 WeakPolarHBondContact CH2-O 3.37Å
296	F	98.1	Very high	98.4	Very high	31 Å²	31	23.8 Å²	23.8	14%	0.136	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.6	36.8	174.4	-82.4	-108.2	0	0	0	115.5	E123 Y127 S298 D299 L376	E123-F296 HydrophobicContact CB-CE1 4.1Å; E123-F296 HydrophobicContact CB-CZ 3.65Å; Y127-F296 AromaticContact CD2-CD2 3.47Å; Y127-F296 HydrophobicContact CD2-CD2 3.47Å; Y127-F296 VanDerWaalsContact CD2-CD2 3.47Å; Y127-F296 AromaticContact CD2-CE2 3.56Å; Y127-F296 HydrophobicContact CD2-CE2 3.56Å; Y127-F296 HydrophobicContact CD2-CG 4.02Å; Y127-F296 HydrophobicContact CD2-CZ 4.14Å; Y127-F296 HydrophobicContact CE2-CB 4.3Å; Y127-F296 AromaticContact CE2-CD1 3.85Å; Y127-F296 HydrophobicContact CE2-CD1 3.85Å; Y127-F296 AromaticContact CE2-CD2 3.61Å; Y127-F296 HydrophobicContact CE2-CD2 3.61Å; Y127-F296 HydrophobicContact CE2-CE1 4.05Å; Y127-F296 AromaticContact CE2-CE2 3.85Å; Y127-F296 HydrophobicContact CE2-CE2 3.85Å; Y127-F296 AromaticContact CE2-CG 3.65Å; Y127-F296 HydrophobicContact CE2-CG 3.65Å; Y127-F296 HydrophobicContact CE2-CZ 4.07Å; Y127-F296 HydrophobicContact CG-CD2 4.23Å; Y127-F296 VanDerWaalsContact CZ-CA 3.4Å; F296-S298 PolarHBondContact O-N 2.84Å; F296-D299 WeakPolarHBondContact CB-OD1 3.33Å; F296-L376 HydrophobicContact CB-CD2 4.46Å; F296-L376 HydrophobicContact CD1-CD2 4.03Å; F296-L376 HydrophobicContact CD2-CD2 3.67Å; F296-L376 HydrophobicContact CE1-CD1 4.04Å; F296-L376 HydrophobicContact CE1-CD2 4.12Å; F296-L376 HydrophobicContact CE2-CD1 4.39Å; F296-L376 HydrophobicContact CE2-CD2 3.75Å; F296-L376 HydrophobicContact CG-CD2 3.79Å; F296-L376 HydrophobicContact CZ-CD1 3.87Å; F296-L376 HydrophobicContact CZ-CD2 3.96Å
297	V	97.4	Very high	98.4	Very high	37 Å²	37	25.5 Å²	25.5	22%	0.224	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	-64.7	-174.6	-170.9	0	0	0	0	112.7	I35 Y127 F146 W295	I35-V297 HydrophobicContact CG2-CG2 4.11Å; Y127-V297 HydrophobicContact CE1-CG2 4.16Å; Y127-V297 WeakPolarHBondContact OH-CG2 3.43Å; F146-V297 HydrophobicContact CB-CG1 4.49Å; F146-V297 WeakPolarHBondContact CB-O 3.17Å; F146-V297 HydrophobicContact CD1-CB 4.18Å; F146-V297 HydrophobicContact CD1-CG1 3.86Å; F146-V297 HydrophobicContact CD1-CG2 4.3Å; F146-V297 HydrophobicContact CE1-CB 4.37Å; F146-V297 HydrophobicContact CE1-CG1 4.4Å; F146-V297 HydrophobicContact CE1-CG2 4.02Å; F146-V297 HydrophobicContact CG-CG1 4.33Å; F146-V297 WeakPolarHBondContact CG-O 3.36Å; W295-V297 CarbonylContact O-C 3.55Å; W295-V297 PolarHBondContact O-N 3.12Å
298	S	97	Very high	98.4	Very high	40 Å²	40	23 Å²	23	28%	0.28	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-0.9	-167.3	39.7	0	0	0	0	114.4	N262 A263 F296	N262-S298 CarbonylContact C-O 3.57Å; N262-S298 VanDerWaalsContact CA-O 3.31Å; N262-S298 WeakPolarHBondContact CA-O 3.47Å; N262-S298 WeakPolarHBondContact OD1-CB 3.44Å; N262-S298 PolarHBondContact OD1-OG 2.86Å; A263-S298 WeakPolarHBondContact CB-O 3.35Å; A263-S298 PolarHBondContact N-O 2.71Å; F296-S298 PolarHBondContact O-N 2.84Å
299	D	98.6	Very high	98.4	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.011	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-63.8	146.1	-173.8	-73.2	35.2	0	0	0	113.5	D261 K291 W295 F296 T301	D261-D299 CarbonylContact O-C 3.44Å; D261-D299 WeakPolarHBondContact O-CA 3.48Å; K291-D299 WeakPolarHBondContact CE-OD2 3.29Å; K291-D299 HydrophobicContact CG-CB 3.66Å; K291-D299 IonicContact NZ-OD2 2.73Å; K291-D299 PolarHBondContact NZ-OD2 3.49Å; W295-D299 HydrophobicContact CB-CB 4.09Å; W295-D299 VanDerWaalsContact O-CB 3.26Å; W295-D299 WeakPolarHBondContact O-CB 3.31Å; W295-D299 PolarHBondContact O-N 3.24Å; W295-D299 VanDerWaalsContact O-N 3.11Å; F296-D299 WeakPolarHBondContact CB-OD1 3.33Å; D299-T301 PolarHBondContact O-N 2.99Å
300	V	98.8	Very high	98.4	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-72.2	117.7	-177.2	-175.4	0	0	0	0	111.8	L260 D261 N262 A263 L267 G290 K291 D304 F305 Y338	L260-V300 HydrophobicContact CB-CB 4.18Å; L260-V300 HydrophobicContact CB-CG2 4.23Å; L260-V300 HydrophobicContact CD1-CB 4.04Å; L260-V300 HydrophobicContact CD1-CG1 3.83Å; L260-V300 HydrophobicContact CD1-CG2 4.31Å; D261-V300 PolarHBondContact O-N 3.43Å; N262-V300 WeakPolarHBondContact O-CG2 3.37Å; A263-V300 HydrophobicContact CB-CG2 4.15Å; L267-V300 HydrophobicContact CB-CG2 4.12Å; L267-V300 HydrophobicContact CD1-CG1 4.43Å; L267-V300 HydrophobicContact CD1-CG2 4.21Å; L267-V300 HydrophobicContact CD2-CG1 4.03Å; L267-V300 HydrophobicContact CD2-CG2 4.09Å; L267-V300 HydrophobicContact CG-CG2 4.36Å; G290-V300 WeakPolarHBondContact CA-O 3.26Å; K291-V300 PolarHBondContact N-O 3.29Å; V300-D304 HydrophobicContact CG1-CB 4.17Å; V300-F305 HydrophobicContact CG1-CB 4.04Å; V300-Y338 HydrophobicContact CG1-CE2 4.22Å; V300-Y338 PolarHBondContact O-OH 3.34Å
301	T	98.8	Very high	98.4	Very high	13 Å²	13	31.8 Å²	31.8	8%	0.08	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-94.5	171.6	162.5	71.2	0	0	0	0	111.3	K291 D299 H303 D304 F305 Y338	K291-T301 WeakPolarHBondContact O-CA 3.36Å; D299-T301 PolarHBondContact O-N 2.99Å; T301-H303 PolarHBondContact O-N 3.32Å; T301-H303 PolarHBondContact OG1-N 2.93Å; T301-D304 WeakPolarHBondContact CB-OD2 3.44Å; T301-D304 PolarHBondContact N-OD2 3.03Å; T301-D304 PolarHBondContact O-N 2.97Å; T301-D304 VanDerWaalsContact O-N 3.15Å; T301-D304 PolarHBondContact OG1-N 3.35Å; T301-D304 PolarHBondContact OG1-OD2 3.19Å; T301-F305 PolarHBondContact O-N 3.22Å; T301-F305 VanDerWaalsContact O-N 3.08Å; T301-Y338 WeakPolarHBondContact CA-OH 3.47Å
302	S	98.4	Very high	98.4	Very high	36 Å²	36	31.7 Å²	31.7	25%	0.252	16%	0.16	S	C	.	.	H	α-helix	trans	-57.7	-37.5	176	-172.7	0	0	0	0	111.7	F305 Q306 Y338	S302-F305 PolarHBondContact O-N 3.36Å; S302-Q306 WeakPolarHBondContact O-CG 3.25Å; S302-Q306 PolarHBondContact O-N 3.04Å; S302-Q306 VanDerWaalsContact O-N 3.09Å; S302-Q306 PolarHBondContact OG-NE2 3.01Å; S302-Y338 VanDerWaalsContact CA-CE1 3.46Å; S302-Y338 VanDerWaalsContact CA-CZ 3.47Å; S302-Y338 VanDerWaalsContact CB-CE1 3.42Å; S302-Y338 VanDerWaalsContact N-CZ 3.31Å; S302-Y338 PolarHBondContact N-OH 2.89Å
303	H	98.4	Very high	98.4	Very high	86 Å²	86	31.8 Å²	31.8	40%	0.398	16%	0.157	S	C	.	.	H	α-helix	trans	-61.8	-46.9	176.5	176.6	-93.9	0	0	0	111.6	T301 F305 Q306 W307	T301-H303 PolarHBondContact O-N 3.32Å; T301-H303 PolarHBondContact OG1-N 2.93Å; H303-F305 PolarHBondContact O-N 3.41Å; H303-Q306 PolarHBondContact O-N 3.46Å; H303-W307 WeakPolarHBondContact O-CB 3.27Å; H303-W307 PolarHBondContact O-N 3.04Å
304	D	98.8	Very high	98.4	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-63.1	-44.3	-179.8	-55.1	-62.3	0	0	0	111.4	K150 A263 V300 T301 Q306 W307 T308	K150-D304 WeakPolarHBondContact CE-OD1 3.28Å; K150-D304 IonicContact NZ-OD1 3.75Å; K150-D304 PolarHBondContact NZ-OD1 3.37Å; K150-D304 IonicContact NZ-OD2 3.82Å; K150-D304 PolarHBondContact NZ-OD2 3.49Å; A263-D304 HydrophobicContact CB-CB 4.05Å; V300-D304 HydrophobicContact CG1-CB 4.17Å; T301-D304 WeakPolarHBondContact CB-OD2 3.44Å; T301-D304 PolarHBondContact N-OD2 3.03Å; T301-D304 PolarHBondContact O-N 2.97Å; T301-D304 VanDerWaalsContact O-N 3.15Å; T301-D304 PolarHBondContact OG1-N 3.35Å; T301-D304 PolarHBondContact OG1-OD2 3.19Å; D304-Q306 PolarHBondContact O-N 3.3Å; D304-W307 PolarHBondContact O-N 3.01Å; D304-T308 WeakPolarHBondContact O-CB 3.46Å; D304-T308 PolarHBondContact O-N 3.1Å; D304-T308 PolarHBondContact O-OG1 3.47Å
305	F	98.9	Very high	98.4	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.018	18%	0.178	C	C	.	.	H	α-helix	trans	-56.5	-51.9	177.3	-178.1	-91.3	0	0	0	111.7	L260 L267 L271 F288 V300 T301 S302 H303 I309 V331 Y338	L260-F305 HydrophobicContact CD1-CD2 4.43Å; L267-F305 HydrophobicContact CD1-CD2 4.15Å; L271-F305 HydrophobicContact CD2-CD2 4.26Å; L271-F305 HydrophobicContact CD2-CE2 3.52Å; L271-F305 HydrophobicContact CD2-CZ 4.13Å; F288-F305 HydrophobicContact CB-CE2 3.98Å; F288-F305 AromaticContact CD1-CE2 4Å; F288-F305 HydrophobicContact CD1-CE2 4Å; F288-F305 AromaticContact CD2-CE2 3.63Å; F288-F305 HydrophobicContact CD2-CE2 3.63Å; F288-F305 AromaticContact CD2-CZ 3.69Å; F288-F305 HydrophobicContact CD2-CZ 3.69Å; F288-F305 HydrophobicContact CE1-CE2 4.37Å; F288-F305 HydrophobicContact CE2-CE2 4.05Å; F288-F305 HydrophobicContact CE2-CZ 4.01Å; F288-F305 HydrophobicContact CG-CD2 4.47Å; F288-F305 AromaticContact CG-CE2 3.58Å; F288-F305 HydrophobicContact CG-CE2 3.58Å; F288-F305 HydrophobicContact CG-CZ 4.13Å; F288-F305 HydrophobicContact CZ-CE2 4.38Å; V300-F305 HydrophobicContact CG1-CB 4.04Å; T301-F305 PolarHBondContact O-N 3.22Å; T301-F305 VanDerWaalsContact O-N 3.08Å; S302-F305 PolarHBondContact O-N 3.36Å; H303-F305 PolarHBondContact O-N 3.41Å; F305-I309 HydrophobicContact CD1-CD1 3.97Å; F305-I309 HydrophobicContact CE1-CD1 3.44Å; F305-I309 VanDerWaalsContact CE1-CD1 3.44Å; F305-I309 HydrophobicContact CE2-CD1 4.5Å; F305-I309 HydrophobicContact CZ-CD1 3.75Å; F305-I309 WeakPolarHBondContact O-CG1 3.34Å; F305-I309 PolarHBondContact O-N 2.87Å; F305-V331 HydrophobicContact CE1-CG2 4.16Å; F305-V331 HydrophobicContact CZ-CG2 4.49Å; F305-Y338 HydrophobicContact CB-CD2 3.69Å; F305-Y338 HydrophobicContact CB-CE2 3.9Å; F305-Y338 HydrophobicContact CB-CG 4.49Å; F305-Y338 HydrophobicContact CD1-CD2 4.02Å; F305-Y338 HydrophobicContact CD1-CG 4.3Å; F305-Y338 AromaticContact CD2-CD2 3.8Å; F305-Y338 HydrophobicContact CD2-CD2 3.8Å; F305-Y338 HydrophobicContact CD2-CE2 4.46Å; F305-Y338 HydrophobicContact CE2-CD2 4.41Å; F305-Y338 AromaticContact CG-CD2 3.57Å; F305-Y338 HydrophobicContact CG-CD2 3.57Å; F305-Y338 HydrophobicContact CG-CE2 4.25Å; F305-Y338 HydrophobicContact CG-CG 4.29Å
306	Q	98.7	Very high	98.2	Very high	99 Å²	99	42.5 Å²	42.5	46%	0.463	23%	0.225	S	C	.	.	H	α-helix	trans	-66.9	-38.4	179	-66.6	177.1	19.2	0	0	112	S302 H303 D304 R310	S302-Q306 WeakPolarHBondContact O-CG 3.25Å; S302-Q306 PolarHBondContact O-N 3.04Å; S302-Q306 VanDerWaalsContact O-N 3.09Å; S302-Q306 PolarHBondContact OG-NE2 3.01Å; H303-Q306 PolarHBondContact O-N 3.46Å; D304-Q306 PolarHBondContact O-N 3.3Å; Q306-R310 WeakPolarHBondContact O-CB 3.39Å; Q306-R310 VanDerWaalsContact O-CG 3.31Å; Q306-R310 WeakPolarHBondContact O-CG 3.46Å; Q306-R310 PolarHBondContact O-N 3.45Å; Q306-R310 PolarHBondContact O-NE 3.28Å
307	W	98.8	Very high	98.2	Very high	35 Å²	35	43.6 Å²	43.6	13%	0.133	23%	0.231	C	C	.	.	H	α-helix	trans	-62.7	-48.6	177.6	-177.1	94.3	0	0	0	111.1	T151 F154 F155 H303 D304 I309 R310 Q311	T151-W307 HydrophobicContact CG2-CD2 4.14Å; T151-W307 HydrophobicContact CG2-CE3 4.3Å; T151-W307 HydrophobicContact CG2-CH2 3.7Å; T151-W307 HydrophobicContact CG2-CZ2 3.48Å; T151-W307 VanDerWaalsContact CG2-CZ2 3.48Å; T151-W307 HydrophobicContact CG2-CZ3 4.11Å; F154-W307 HydrophobicContact CB-CH2 4.01Å; F154-W307 HydrophobicContact CB-CZ3 3.72Å; F154-W307 AromaticContact CD1-CH2 3.61Å; F154-W307 HydrophobicContact CD1-CH2 3.61Å; F154-W307 AromaticContact CD1-CZ3 3.68Å; F154-W307 HydrophobicContact CD1-CZ3 3.68Å; F154-W307 HydrophobicContact CD2-CZ3 4.3Å; F154-W307 HydrophobicContact CE1-CH2 4.34Å; F154-W307 HydrophobicContact CE1-CZ3 4.37Å; F154-W307 AromaticContact CG-CH2 3.97Å; F154-W307 HydrophobicContact CG-CH2 3.97Å; F154-W307 AromaticContact CG-CZ3 3.63Å; F154-W307 HydrophobicContact CG-CZ3 3.63Å; F155-W307 HydrophobicContact CD2-CH2 4.45Å; F155-W307 AromaticContact CE2-CH2 3.82Å; F155-W307 HydrophobicContact CE2-CH2 3.82Å; F155-W307 AromaticContact CE2-CZ2 3.79Å; F155-W307 HydrophobicContact CE2-CZ2 3.79Å; F155-W307 AromaticContact CZ-CH2 3.91Å; F155-W307 HydrophobicContact CZ-CH2 3.91Å; F155-W307 AromaticContact CZ-CZ2 3.79Å; F155-W307 HydrophobicContact CZ-CZ2 3.79Å; H303-W307 WeakPolarHBondContact O-CB 3.27Å; H303-W307 PolarHBondContact O-N 3.04Å; D304-W307 PolarHBondContact O-N 3.01Å; W307-I309 PolarHBondContact O-N 3.28Å; W307-R310 PolarHBondContact O-N 2.95Å; W307-R310 VanDerWaalsContact O-N 3.13Å; W307-Q311 HydrophobicContact CD2-CG 3.65Å; W307-Q311 VanDerWaalsContact CE2-CG 3.43Å; W307-Q311 HydrophobicContact CE3-CG 3.84Å; W307-Q311 HydrophobicContact CG-CG 4.39Å; W307-Q311 HydrophobicContact CH2-CG 3.65Å; W307-Q311 HydrophobicContact CZ2-CG 3.45Å; W307-Q311 VanDerWaalsContact CZ2-CG 3.45Å; W307-Q311 HydrophobicContact CZ3-CG 3.83Å; W307-Q311 WeakPolarHBondContact O-CG 3.41Å; W307-Q311 PolarHBondContact O-N 3.15Å
308	T	98.7	Very high	98.2	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.012	25%	0.249	C	C	.	.	H	α-helix	trans	-59.1	-43.8	178.8	-67.6	0	0	0	0	112	F154 L267 V268 L271 D304 R310 Q311 T312	F154-T308 HydrophobicContact CD2-CG2 4.32Å; F154-T308 HydrophobicContact CE2-CG2 4.05Å; L267-T308 HydrophobicContact CD2-CG2 4.12Å; L267-T308 HydrophobicContact CG-CG2 4.38Å; V268-T308 HydrophobicContact CG2-CG2 3.87Å; L271-T308 HydrophobicContact CD1-CG2 4.05Å; D304-T308 WeakPolarHBondContact O-CB 3.46Å; D304-T308 PolarHBondContact O-N 3.1Å; D304-T308 PolarHBondContact O-OG1 3.47Å; T308-R310 PolarHBondContact O-N 3.32Å; T308-Q311 PolarHBondContact O-N 3.49Å; T308-T312 PolarHBondContact O-N 3.39Å; T308-T312 PolarHBondContact O-OG1 3.1Å; T308-T312 VanDerWaalsContact O-OG1 3.09Å
309	I	98.8	Very high	98.2	Very high	9 Å²	9	48.7 Å²	48.7	5%	0.046	24%	0.244	C	C	.	.	H	α-helix	trans	-62.5	-44.8	176.2	-66.4	174.3	0	0	0	110.8	L271 F305 W307 Q311 T312 L313 W327 Q328 V331	L271-I309 HydrophobicContact CD1-CG1 4.1Å; F305-I309 HydrophobicContact CD1-CD1 3.97Å; F305-I309 HydrophobicContact CE1-CD1 3.44Å; F305-I309 VanDerWaalsContact CE1-CD1 3.44Å; F305-I309 HydrophobicContact CE2-CD1 4.5Å; F305-I309 HydrophobicContact CZ-CD1 3.75Å; F305-I309 WeakPolarHBondContact O-CG1 3.34Å; F305-I309 PolarHBondContact O-N 2.87Å; W307-I309 PolarHBondContact O-N 3.28Å; I309-Q311 PolarHBondContact O-N 3.15Å; I309-T312 PolarHBondContact O-N 3.09Å; I309-L313 WeakPolarHBondContact O-CB 3.49Å; I309-L313 PolarHBondContact O-N 3.17Å; I309-W327 HydrophobicContact CG1-CB 4.41Å; I309-W327 HydrophobicContact CG1-CE3 4.2Å; I309-W327 HydrophobicContact CG2-CB 4.17Å; I309-Q328 HydrophobicContact CG2-CB 4.21Å; I309-V331 HydrophobicContact CD1-CG2 3.95Å
310	R	98.6	Very high	98.2	Very high	120 Å²	120	48.6 Å²	48.6	45%	0.453	24%	0.243	S	C	.	.	H	α-helix	trans	-61.9	-43	178.1	-75.7	-175.8	-66	-167.1	2.4	112.1	Q306 W307 T308 L313 A314	Q306-R310 WeakPolarHBondContact O-CB 3.39Å; Q306-R310 VanDerWaalsContact O-CG 3.31Å; Q306-R310 WeakPolarHBondContact O-CG 3.46Å; Q306-R310 PolarHBondContact O-N 3.45Å; Q306-R310 PolarHBondContact O-NE 3.28Å; W307-R310 PolarHBondContact O-N 2.95Å; W307-R310 VanDerWaalsContact O-N 3.13Å; T308-R310 PolarHBondContact O-N 3.32Å; R310-L313 PolarHBondContact O-N 2.88Å; R310-A314 VanDerWaalsContact O-CB 3.31Å; R310-A314 WeakPolarHBondContact O-CB 3.39Å; R310-A314 PolarHBondContact O-N 3.4Å
311	Q	98.4	Very high	98.2	Very high	59 Å²	59	50.5 Å²	50.5	28%	0.276	26%	0.256	S	S	.	.	H	α-helix	trans	-65.7	-43.9	177.9	-65.7	-48.1	-47.2	0	0	112	F154 W307 T308 I309 L313 A314 A315	F154-Q311 HydrophobicContact CD1-CB 4.42Å; F154-Q311 HydrophobicContact CE1-CB 3.54Å; F154-Q311 HydrophobicContact CE1-CG 4.17Å; F154-Q311 HydrophobicContact CZ-CB 3.69Å; W307-Q311 HydrophobicContact CD2-CG 3.65Å; W307-Q311 VanDerWaalsContact CE2-CG 3.43Å; W307-Q311 HydrophobicContact CE3-CG 3.84Å; W307-Q311 HydrophobicContact CG-CG 4.39Å; W307-Q311 HydrophobicContact CH2-CG 3.65Å; W307-Q311 HydrophobicContact CZ2-CG 3.45Å; W307-Q311 VanDerWaalsContact CZ2-CG 3.45Å; W307-Q311 HydrophobicContact CZ3-CG 3.83Å; W307-Q311 WeakPolarHBondContact O-CG 3.41Å; W307-Q311 PolarHBondContact O-N 3.15Å; T308-Q311 PolarHBondContact O-N 3.49Å; I309-Q311 PolarHBondContact O-N 3.15Å; Q311-L313 VanDerWaalsContact C-N 3.3Å; Q311-L313 PolarHBondContact O-N 3.31Å; Q311-A314 PolarHBondContact O-N 2.96Å; Q311-A315 PolarHBondContact O-N 3.08Å; Q311-A315 VanDerWaalsContact O-N 3.09Å
312	T	98.3	Very high	98.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.9	-39.6	176.3	-61.3	0	0	0	0	111.7	T308 I309 A315 M320 S321 W327	T308-T312 PolarHBondContact O-N 3.39Å; T308-T312 PolarHBondContact O-OG1 3.1Å; T308-T312 VanDerWaalsContact O-OG1 3.09Å; I309-T312 PolarHBondContact O-N 3.09Å; T312-A315 WeakPolarHBondContact O-CB 3.48Å; T312-A315 PolarHBondContact O-N 3.46Å; T312-M320 HydrophobicContact CG2-CB 4.38Å; T312-M320 VanDerWaalsContact CG2-O 3.3Å; T312-M320 WeakPolarHBondContact CG2-O 3.27Å; T312-M320 CarbonylContact O-C 3.47Å; T312-M320 VanDerWaalsContact O-C 3.25Å; T312-S321 VanDerWaalsContact O-CA 3.3Å; T312-S321 WeakPolarHBondContact O-CA 3.3Å; T312-S321 PolarHBondContact O-N 2.99Å; T312-W327 HydrophobicContact CG2-CE3 4.14Å; T312-W327 HydrophobicContact CG2-CH2 4.29Å; T312-W327 HydrophobicContact CG2-CZ3 3.78Å
313	L	98.1	Very high	98.1	Very high	46 Å²	46	52.9 Å²	52.9	24%	0.241	26%	0.261	C	S	.	.	H	α-helix	trans	-64.6	-45.1	176	-178.7	154.9	0	0	0	112.1	I309 R310 Q311 A315 S321 V325 Q328	I309-L313 WeakPolarHBondContact O-CB 3.49Å; I309-L313 PolarHBondContact O-N 3.17Å; R310-L313 PolarHBondContact O-N 2.88Å; Q311-L313 VanDerWaalsContact C-N 3.3Å; Q311-L313 PolarHBondContact O-N 3.31Å; L313-A315 PolarHBondContact O-N 3.2Å; L313-S321 WeakPolarHBondContact O-CB 3.17Å; L313-S321 PolarHBondContact O-OG 3.42Å; L313-V325 HydrophobicContact CD1-CG2 4.34Å; L313-V325 HydrophobicContact CG-CG2 4.16Å; L313-Q328 HydrophobicContact CD1-CB 3.95Å; L313-Q328 VanDerWaalsContact CD1-CD 3.46Å; L313-Q328 HydrophobicContact CD1-CG 4.31Å
314	A	97.9	Very high	98.1	Very high	66 Å²	66	48.8 Å²	48.8	55%	0.545	24%	0.242	S	C	.	.	H	α-helix	trans	-78	-2.8	-177.5	0	0	0	0	0	114	R310 Q311	R310-A314 VanDerWaalsContact O-CB 3.31Å; R310-A314 WeakPolarHBondContact O-CB 3.39Å; R310-A314 PolarHBondContact O-N 3.4Å; Q311-A314 PolarHBondContact O-N 2.96Å
315	A	97.6	Very high	98.1	Very high	19 Å²	19	52.4 Å²	52.4	16%	0.157	26%	0.264	C	S	.	.			trans	-63.9	136.9	-177.1	0	0	0	0	0	112.5	Q311 T312 L313 H317 M320 S321	Q311-A315 PolarHBondContact O-N 3.08Å; Q311-A315 VanDerWaalsContact O-N 3.09Å; T312-A315 WeakPolarHBondContact O-CB 3.48Å; T312-A315 PolarHBondContact O-N 3.46Å; L313-A315 PolarHBondContact O-N 3.2Å; A315-H317 PolarHBondContact O-N 2.92Å; A315-M320 HydrophobicContact CB-CB 3.74Å; A315-M320 HydrophobicContact CB-CE 3.8Å; A315-M320 HydrophobicContact CB-SD 4.27Å; A315-S321 WeakPolarHBondContact O-CB 3.49Å
316	N	96.3	Very high	98.1	Very high	184 Å²	184	55.3 Å²	55.3	98%	0.984	28%	0.278	S	S	*	.	S	Bend	trans	-77.6	29.4	174.1	-70.9	-34.1	0	0	0	113.4
317	H	97.7	Very high	98.1	Very high	55 Å²	55	50.6 Å²	50.6	26%	0.255	26%	0.256	S	S	.	.	S	Bend	trans	-123	125.4	175.6	179.8	-96.5	0	0	0	110	I162 A315 W319 M320 S321	I162-H317 HydrophobicContact CG1-CB 4.39Å; A315-H317 PolarHBondContact O-N 2.92Å; H317-W319 VanDerWaalsContact C-N 3.33Å; H317-W319 AromaticContact CE1-CD1 3.75Å; H317-W319 PolarHBondContact ND1-N 2.62Å; H317-W319 PolarHBondContact O-N 3.36Å; H317-W319 VanDerWaalsContact O-N 3.16Å; H317-M320 HydrophobicContact CB-CB 4.26Å; H317-M320 HydrophobicContact CB-CG 4.37Å; H317-M320 HydrophobicContact CB-SD 4.18Å; H317-M320 PolarHBondContact ND1-N 2.7Å; H317-M320 PolarHBondContact O-N 2.83Å; H317-M320 VanDerWaalsContact O-N 3.1Å; H317-S321 PolarHBondContact O-N 3.47Å
318	K	97.4	Very high	98.1	Very high	141 Å²	141	52.3 Å²	52.3	61%	0.613	27%	0.265	S	S	*	.	H	α-helix	trans	-48	-49.7	-171.2	179.3	178.8	-179.7	174	0	113.6	K322	K318-K322 VanDerWaalsContact O-CB 3.28Å; K318-K322 WeakPolarHBondContact O-CB 3.47Å; K318-K322 PolarHBondContact O-N 3.24Å; K318-K322 VanDerWaalsContact O-N 3.1Å
319	W	97.2	Very high	98.1	Very high	42 Å²	42	53.7 Å²	53.7	16%	0.159	28%	0.275	C	S	.	.	H	α-helix	trans	-79.2	-29	-174.8	-56.9	127.9	0	0	0	113.5	C165 T166 Q169 H317 K322 T323	C165-W319 HydrophobicContact CB-CB 4.38Å; T166-W319 HydrophobicContact CG2-CG 4.43Å; T166-W319 VanDerWaalsContact OG1-CD1 3.26Å; Q169-W319 HydrophobicContact CB-CD2 4.04Å; Q169-W319 HydrophobicContact CB-CE3 3.62Å; Q169-W319 HydrophobicContact CB-CG 4.47Å; Q169-W319 HydrophobicContact CB-CZ3 4.16Å; Q169-W319 HydrophobicContact CG-CB 4.23Å; Q169-W319 HydrophobicContact CG-CD2 4.32Å; Q169-W319 HydrophobicContact CG-CE3 3.73Å; H317-W319 VanDerWaalsContact C-N 3.33Å; H317-W319 AromaticContact CE1-CD1 3.75Å; H317-W319 PolarHBondContact ND1-N 2.62Å; H317-W319 PolarHBondContact O-N 3.36Å; H317-W319 VanDerWaalsContact O-N 3.16Å; W319-K322 HydrophobicContact CE3-CD 4.24Å; W319-K322 HydrophobicContact CZ3-CD 4.06Å; W319-T323 VanDerWaalsContact O-CB 3.25Å; W319-T323 WeakPolarHBondContact O-CB 3.34Å; W319-T323 PolarHBondContact O-N 3.49Å; W319-T323 VanDerWaalsContact O-N 3.08Å; W319-T323 PolarHBondContact O-OG1 2.85Å
320	M	97.6	Very high	98.1	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-68.9	-53.6	173.4	-74.8	177.4	66.9	0	0	109.8	V161 I162 C165 T312 A315 H317 K322 T323 G324	V161-M320 HydrophobicContact CB-CE 4.25Å; V161-M320 HydrophobicContact CG1-CE 3.55Å; V161-M320 HydrophobicContact CG1-CG 4.26Å; V161-M320 HydrophobicContact CG1-SD 4.13Å; I162-M320 HydrophobicContact CB-SD 4.2Å; I162-M320 HydrophobicContact CD1-SD 4.22Å; I162-M320 HydrophobicContact CG1-CG 4.08Å; I162-M320 HydrophobicContact CG1-SD 3.19Å; I162-M320 WeakPolarHBondContact CG1-SD 3.49Å; C165-M320 HydrophobicContact CB-CG 3.98Å; T312-M320 HydrophobicContact CG2-CB 4.38Å; T312-M320 VanDerWaalsContact CG2-O 3.3Å; T312-M320 WeakPolarHBondContact CG2-O 3.27Å; T312-M320 CarbonylContact O-C 3.47Å; T312-M320 VanDerWaalsContact O-C 3.25Å; A315-M320 HydrophobicContact CB-CB 3.74Å; A315-M320 HydrophobicContact CB-CE 3.8Å; A315-M320 HydrophobicContact CB-SD 4.27Å; H317-M320 HydrophobicContact CB-CB 4.26Å; H317-M320 HydrophobicContact CB-CG 4.37Å; H317-M320 HydrophobicContact CB-SD 4.18Å; H317-M320 PolarHBondContact ND1-N 2.7Å; H317-M320 PolarHBondContact O-N 2.83Å; H317-M320 VanDerWaalsContact O-N 3.1Å; M320-K322 VanDerWaalsContact C-N 3.32Å; M320-K322 PolarHBondContact O-N 3.43Å; M320-T323 CarbonylContact O-C 3.25Å; M320-T323 WeakPolarHBondContact O-CA 3.36Å; M320-T323 WeakPolarHBondContact O-CB 3.46Å; M320-T323 PolarHBondContact O-N 3.27Å; M320-G324 PolarHBondContact O-N 3.06Å
321	S	98.3	Very high	98.1	Very high	39 Å²	39	51.4 Å²	51.4	27%	0.273	27%	0.273	S	S	.	.	H	α-helix	trans	-56.3	-46.6	179.1	-176.3	0	0	0	0	111.9	T312 L313 A315 H317 T323 G324 V325	T312-S321 VanDerWaalsContact O-CA 3.3Å; T312-S321 WeakPolarHBondContact O-CA 3.3Å; T312-S321 PolarHBondContact O-N 2.99Å; L313-S321 WeakPolarHBondContact O-CB 3.17Å; L313-S321 PolarHBondContact O-OG 3.42Å; A315-S321 WeakPolarHBondContact O-CB 3.49Å; H317-S321 PolarHBondContact O-N 3.47Å; S321-T323 VanDerWaalsContact C-N 3.3Å; S321-T323 PolarHBondContact O-N 3.16Å; S321-G324 PolarHBondContact O-N 3.13Å; S321-V325 WeakPolarHBondContact O-CG2 3.42Å; S321-V325 PolarHBondContact O-N 3.5Å
322	K	97.9	Very high	98.1	Very high	99 Å²	99	57.2 Å²	57.2	43%	0.43	29%	0.292	S	S	.	.	H	α-helix	trans	-59.8	-39.6	176.4	-172.3	176.6	179.1	-142.5	0	112.6	Q169 K318 W319 M320 Q326	Q169-K322 VanDerWaalsContact OE1-CD 3.3Å; K318-K322 VanDerWaalsContact O-CB 3.28Å; K318-K322 WeakPolarHBondContact O-CB 3.47Å; K318-K322 PolarHBondContact O-N 3.24Å; K318-K322 VanDerWaalsContact O-N 3.1Å; W319-K322 HydrophobicContact CE3-CD 4.24Å; W319-K322 HydrophobicContact CZ3-CD 4.06Å; M320-K322 VanDerWaalsContact C-N 3.32Å; M320-K322 PolarHBondContact O-N 3.43Å; K322-Q326 PolarHBondContact O-N 2.95Å; K322-Q326 VanDerWaalsContact O-N 3.13Å
323	T	98.3	Very high	98.1	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-68.6	-41.3	176.9	-59.9	0	0	0	0	111.2	L168 Q169 W319 M320 S321 V325 Q326 W327	L168-T323 HydrophobicContact CD2-CG2 3.9Å; Q169-T323 PolarHBondContact NE2-OG1 3.02Å; Q169-T323 VanDerWaalsContact NE2-OG1 3.08Å; W319-T323 VanDerWaalsContact O-CB 3.25Å; W319-T323 WeakPolarHBondContact O-CB 3.34Å; W319-T323 PolarHBondContact O-N 3.49Å; W319-T323 VanDerWaalsContact O-N 3.08Å; W319-T323 PolarHBondContact O-OG1 2.85Å; M320-T323 CarbonylContact O-C 3.25Å; M320-T323 WeakPolarHBondContact O-CA 3.36Å; M320-T323 WeakPolarHBondContact O-CB 3.46Å; M320-T323 PolarHBondContact O-N 3.27Å; S321-T323 VanDerWaalsContact C-N 3.3Å; S321-T323 PolarHBondContact O-N 3.16Å; T323-V325 PolarHBondContact O-N 3.39Å; T323-Q326 WeakPolarHBondContact O-CB 3.43Å; T323-Q326 PolarHBondContact O-N 3.41Å; T323-Q326 VanDerWaalsContact O-N 3.16Å; T323-W327 HydrophobicContact CG2-CD2 4.03Å; T323-W327 HydrophobicContact CG2-CH2 4.2Å; T323-W327 HydrophobicContact CG2-CZ2 3.42Å; T323-W327 VanDerWaalsContact CG2-CZ2 3.42Å; T323-W327 VanDerWaalsContact O-CG 3.27Å; T323-W327 PolarHBondContact O-N 3.47Å
324	G	98.4	Very high	98	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-64.9	-36.9	175.6	0	0	0	0	0	113.3	M320 S321 Q326 W327 Q328	M320-G324 PolarHBondContact O-N 3.06Å; S321-G324 PolarHBondContact O-N 3.13Å; G324-Q326 VanDerWaalsContact C-N 3.34Å; G324-W327 PolarHBondContact O-N 3.02Å; G324-Q328 WeakPolarHBondContact O-CB 3.37Å; G324-Q328 PolarHBondContact O-N 2.97Å
325	V	98.5	Very high	98.1	Very high	80 Å²	80	61.2 Å²	61.2	49%	0.485	31%	0.311	S	S	.	.	H	α-helix	trans	-60.2	-45.1	170.6	170.2	0	0	0	0	110.7	L313 S321 T323 Q328 S329	L313-V325 HydrophobicContact CD1-CG2 4.34Å; L313-V325 HydrophobicContact CG-CG2 4.16Å; S321-V325 WeakPolarHBondContact O-CG2 3.42Å; S321-V325 PolarHBondContact O-N 3.5Å; T323-V325 PolarHBondContact O-N 3.39Å; V325-Q328 PolarHBondContact O-N 3.39Å; V325-S329 PolarHBondContact O-N 3.38Å
326	Q	98.2	Very high	98.1	Very high	66 Å²	66	60.4 Å²	60.4	31%	0.308	30%	0.304	S	S	.	.	H	α-helix	trans	-61.2	-48.2	177.8	-172.3	66.1	53.8	0	0	111.7	K322 T323 G324 Q328 S329 Y330	K322-Q326 PolarHBondContact O-N 2.95Å; K322-Q326 VanDerWaalsContact O-N 3.13Å; T323-Q326 WeakPolarHBondContact O-CB 3.43Å; T323-Q326 PolarHBondContact O-N 3.41Å; T323-Q326 VanDerWaalsContact O-N 3.16Å; G324-Q326 VanDerWaalsContact C-N 3.34Å; Q326-Q328 VanDerWaalsContact C-N 3.35Å; Q326-Q328 PolarHBondContact O-N 2.88Å; Q326-S329 VanDerWaalsContact O-CB 3.29Å; Q326-S329 WeakPolarHBondContact O-CB 3.36Å; Q326-S329 PolarHBondContact O-N 2.97Å; Q326-S329 VanDerWaalsContact O-N 3.1Å; Q326-Y330 HydrophobicContact CG-CD2 4.32Å; Q326-Y330 HydrophobicContact CG-CE1 4.42Å; Q326-Y330 HydrophobicContact CG-CE2 3.68Å; Q326-Y330 VanDerWaalsContact NE2-CZ 3.26Å; Q326-Y330 PolarHBondContact NE2-OH 2.99Å; Q326-Y330 PolarHBondContact O-N 3.24Å
327	W	98.7	Very high	98.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60.5	-43.3	178	-63.7	-9.5	0	0	0	112.1	V268 L271 V272 N275 I309 T312 T323 G324 S329 Y330 V331 W336	V268-W327 HydrophobicContact CG1-CH2 4.27Å; L271-W327 HydrophobicContact CB-CD2 4.21Å; L271-W327 HydrophobicContact CB-CE3 4.26Å; L271-W327 HydrophobicContact CB-CH2 3.69Å; L271-W327 HydrophobicContact CB-CZ2 3.63Å; L271-W327 HydrophobicContact CB-CZ3 4.01Å; L271-W327 HydrophobicContact CD1-CD2 4.42Å; L271-W327 HydrophobicContact CD1-CE3 3.77Å; L271-W327 HydrophobicContact CD1-CH2 4.06Å; L271-W327 HydrophobicContact CD1-CZ3 3.55Å; L271-W327 HydrophobicContact CG-CZ3 4.44Å; V272-W327 HydrophobicContact CG2-CH2 4.42Å; V272-W327 HydrophobicContact CG2-CZ2 3.91Å; N275-W327 PolarHBondContact OD1-NE1 3.1Å; I309-W327 HydrophobicContact CG1-CB 4.41Å; I309-W327 HydrophobicContact CG1-CE3 4.2Å; I309-W327 HydrophobicContact CG2-CB 4.17Å; T312-W327 HydrophobicContact CG2-CE3 4.14Å; T312-W327 HydrophobicContact CG2-CH2 4.29Å; T312-W327 HydrophobicContact CG2-CZ3 3.78Å; T323-W327 HydrophobicContact CG2-CD2 4.03Å; T323-W327 HydrophobicContact CG2-CH2 4.2Å; T323-W327 HydrophobicContact CG2-CZ2 3.42Å; T323-W327 VanDerWaalsContact CG2-CZ2 3.42Å; T323-W327 VanDerWaalsContact O-CG 3.27Å; T323-W327 PolarHBondContact O-N 3.47Å; G324-W327 PolarHBondContact O-N 3.02Å; W327-S329 VanDerWaalsContact C-N 3.27Å; W327-S329 PolarHBondContact O-N 3.19Å; W327-Y330 PolarHBondContact O-N 3.09Å; W327-V331 WeakPolarHBondContact O-CG2 3.38Å; W327-V331 PolarHBondContact O-N 3.4Å; W327-W336 HydrophobicContact CB-CE3 4.34Å; W327-W336 HydrophobicContact CB-CH2 4.23Å; W327-W336 HydrophobicContact CB-CZ3 3.66Å; W327-W336 AromaticContact CD1-CH2 3.24Å; W327-W336 AromaticContact CD1-CZ3 3.61Å; W327-W336 HydrophobicContact CD2-CH2 4.16Å; W327-W336 HydrophobicContact CD2-CZ3 4.1Å; W327-W336 AromaticContact CG-CH2 3.64Å; W327-W336 HydrophobicContact CG-CH2 3.64Å; W327-W336 AromaticContact CG-CZ3 3.51Å; W327-W336 HydrophobicContact CG-CZ3 3.51Å; W327-W336 AromaticContact NE1-CH2 3.52Å
328	Q	98.7	Very high	98.3	Very high	71 Å²	71	52.1 Å²	52.1	33%	0.332	26%	0.261	S	S	.	.	H	α-helix	trans	-62.9	-35.4	175.5	-172.3	179.9	76.6	0	0	111.9	I309 L313 G324 V325 Q326 R332	I309-Q328 HydrophobicContact CG2-CB 4.21Å; L313-Q328 HydrophobicContact CD1-CB 3.95Å; L313-Q328 VanDerWaalsContact CD1-CD 3.46Å; L313-Q328 HydrophobicContact CD1-CG 4.31Å; G324-Q328 WeakPolarHBondContact O-CB 3.37Å; G324-Q328 PolarHBondContact O-N 2.97Å; V325-Q328 PolarHBondContact O-N 3.39Å; Q326-Q328 VanDerWaalsContact C-N 3.35Å; Q326-Q328 PolarHBondContact O-N 2.88Å; Q328-R332 WeakPolarHBondContact O-CB 3.48Å; Q328-R332 PolarHBondContact O-N 3.31Å
329	S	98.6	Very high	98.3	Very high	31 Å²	31	48.4 Å²	48.4	22%	0.217	25%	0.246	C	C	.	.	H	α-helix	trans	-63.1	-47.6	173.4	-139.9	0	0	0	0	111.3	V325 Q326 W327 V331 R332 E333	V325-S329 PolarHBondContact O-N 3.38Å; Q326-S329 VanDerWaalsContact O-CB 3.29Å; Q326-S329 WeakPolarHBondContact O-CB 3.36Å; Q326-S329 PolarHBondContact O-N 2.97Å; Q326-S329 VanDerWaalsContact O-N 3.1Å; W327-S329 VanDerWaalsContact C-N 3.27Å; W327-S329 PolarHBondContact O-N 3.19Å; S329-V331 VanDerWaalsContact C-N 3.3Å; S329-V331 PolarHBondContact O-N 3.4Å; S329-R332 PolarHBondContact O-N 2.96Å; S329-R332 VanDerWaalsContact O-N 3.1Å; S329-E333 WeakPolarHBondContact O-CB 3.45Å; S329-E333 VanDerWaalsContact O-CG 3.31Å; S329-E333 WeakPolarHBondContact O-CG 3.41Å; S329-E333 PolarHBondContact O-N 3.41Å; S329-E333 PolarHBondContact OG-OE1 3.49Å
330	Y	98.7	Very high	98.3	Very high	17 Å²	17	50.1 Å²	50.1	7%	0.067	26%	0.258	C	S	.	.	H	α-helix	trans	-58.7	-41.5	178.2	-66.3	-34.2	0	0	0	112.8	N275 V278 S279 Q326 W327 G334 V335 W336	N275-Y330 HydrophobicContact CB-CE2 4.44Å; N275-Y330 WeakPolarHBondContact OD1-CE2 3.32Å; V278-Y330 HydrophobicContact CB-CE2 4.41Å; V278-Y330 HydrophobicContact CG1-CD1 4.27Å; V278-Y330 HydrophobicContact CG1-CE1 3.59Å; V278-Y330 HydrophobicContact CG1-CE2 4.28Å; S279-Y330 PolarHBondContact OG-OH 3.32Å; Q326-Y330 HydrophobicContact CG-CD2 4.32Å; Q326-Y330 HydrophobicContact CG-CE1 4.42Å; Q326-Y330 HydrophobicContact CG-CE2 3.68Å; Q326-Y330 VanDerWaalsContact NE2-CZ 3.26Å; Q326-Y330 PolarHBondContact NE2-OH 2.99Å; Q326-Y330 PolarHBondContact O-N 3.24Å; W327-Y330 PolarHBondContact O-N 3.09Å; Y330-G334 PolarHBondContact O-N 3.33Å; Y330-V335 HydrophobicContact CD1-CB 4.01Å; Y330-V335 HydrophobicContact CD1-CG1 3.81Å; Y330-V335 HydrophobicContact CD1-CG2 4.37Å; Y330-V335 HydrophobicContact CE1-CG1 4.39Å; Y330-V335 HydrophobicContact CG-CB 4.34Å; Y330-V335 HydrophobicContact CG-CG1 4.14Å; Y330-V335 PolarHBondContact O-N 3.1Å; Y330-W336 AromaticContact CD2-CD2 3.99Å; Y330-W336 HydrophobicContact CD2-CD2 3.99Å; Y330-W336 AromaticContact CD2-CE2 3.57Å; Y330-W336 HydrophobicContact CD2-CG 4.43Å; Y330-W336 HydrophobicContact CD2-CH2 4.32Å; Y330-W336 AromaticContact CD2-CZ2 3.73Å; Y330-W336 HydrophobicContact CD2-CZ2 3.73Å; Y330-W336 AromaticContact CD2-NE1 3.8Å; Y330-W336 HydrophobicContact CE2-CZ2 4.18Å; Y330-W336 HydrophobicContact CG-CD2 4.37Å; Y330-W336 HydrophobicContact CG-CG 4.39Å; Y330-W336 PolarHBondContact O-N 2.72Å
331	V	98.7	Very high	98.3	Very high	63 Å²	63	51.9 Å²	51.9	38%	0.382	27%	0.266	S	S	.	.	H	α-helix	trans	-64.7	-44.3	175.4	175.1	0	0	0	0	111.1	F305 I309 W327 S329 E333 G334 W336	F305-V331 HydrophobicContact CE1-CG2 4.16Å; F305-V331 HydrophobicContact CZ-CG2 4.49Å; I309-V331 HydrophobicContact CD1-CG2 3.95Å; W327-V331 WeakPolarHBondContact O-CG2 3.38Å; W327-V331 PolarHBondContact O-N 3.4Å; S329-V331 VanDerWaalsContact C-N 3.3Å; S329-V331 PolarHBondContact O-N 3.4Å; V331-E333 VanDerWaalsContact C-N 3.33Å; V331-E333 PolarHBondContact O-N 3.39Å; V331-G334 PolarHBondContact O-N 3.49Å; V331-W336 WeakPolarHBondContact CA-O 3.31Å; V331-W336 HydrophobicContact CG2-CB 4Å; V331-W336 HydrophobicContact CG2-CE3 4.37Å
332	R	98.4	Very high	98.2	Very high	181 Å²	181	52.1 Å²	52.1	68%	0.683	27%	0.267	S	S	*	.	H	α-helix	trans	-65.3	-36.3	-179.8	-171.1	-172.6	-56.2	161.6	5.1	112.8	Q328 S329 G334	Q328-R332 WeakPolarHBondContact O-CB 3.48Å; Q328-R332 PolarHBondContact O-N 3.31Å; S329-R332 PolarHBondContact O-N 2.96Å; S329-R332 VanDerWaalsContact O-N 3.1Å; R332-G334 VanDerWaalsContact C-N 3.31Å
333	E	98	Very high	98.3	Very high	125 Å²	125	47.6 Å²	47.6	58%	0.584	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-4.8	-178.3	-68.9	164.7	-149.4	0	0	113	S329 V331 V335	S329-E333 WeakPolarHBondContact O-CB 3.45Å; S329-E333 VanDerWaalsContact O-CG 3.31Å; S329-E333 WeakPolarHBondContact O-CG 3.41Å; S329-E333 PolarHBondContact O-N 3.41Å; S329-E333 PolarHBondContact OG-OE1 3.49Å; V331-E333 VanDerWaalsContact C-N 3.33Å; V331-E333 PolarHBondContact O-N 3.39Å; E333-V335 HydrophobicContact CB-CG2 4.17Å; E333-V335 PolarHBondContact O-N 2.86Å
334	G	97.6	Very high	98.3	Very high	41 Å²	41	47.7 Å²	47.7	42%	0.423	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	7.7	-177.2	0	0	0	0	0	114.4	Y330 V331 R332 W336	Y330-G334 PolarHBondContact O-N 3.33Å; V331-G334 PolarHBondContact O-N 3.49Å; R332-G334 VanDerWaalsContact C-N 3.31Å; G334-W336 VanDerWaalsContact C-N 3.29Å
335	V	98.4	Very high	98.3	Very high	30 Å²	30	47.8 Å²	47.8	18%	0.182	25%	0.248	C	C	.	.	S	Bend	trans	-65.4	-38.8	170.6	175	0	0	0	0	109.9	V278 E285 V286 Y330 E333	V278-V335 HydrophobicContact CB-CG1 4.43Å; V278-V335 HydrophobicContact CG1-CG1 3.72Å; V278-V335 HydrophobicContact CG2-CG1 3.78Å; E285-V335 CarbonylContact C-O 3.59Å; E285-V335 VanDerWaalsContact CA-O 3.27Å; E285-V335 WeakPolarHBondContact CA-O 3.46Å; V286-V335 PolarHBondContact N-O 2.6Å; Y330-V335 HydrophobicContact CD1-CB 4.01Å; Y330-V335 HydrophobicContact CD1-CG1 3.81Å; Y330-V335 HydrophobicContact CD1-CG2 4.37Å; Y330-V335 HydrophobicContact CE1-CG1 4.39Å; Y330-V335 HydrophobicContact CG-CB 4.34Å; Y330-V335 HydrophobicContact CG-CG1 4.14Å; Y330-V335 PolarHBondContact O-N 3.1Å; E333-V335 HydrophobicContact CB-CG2 4.17Å; E333-V335 PolarHBondContact O-N 2.86Å
336	W	98.8	Very high	98.3	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.008	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	140.8	169.3	-73.1	5.1	0	0	0	110.2	L271 A274 N275 V286 F288 W327 Y330 V331 G334	L271-W336 HydrophobicContact CB-CH2 4.03Å; L271-W336 HydrophobicContact CB-CZ3 4.2Å; L271-W336 HydrophobicContact CD2-CE3 4.29Å; L271-W336 HydrophobicContact CD2-CH2 4.19Å; L271-W336 HydrophobicContact CD2-CZ3 3.67Å; L271-W336 HydrophobicContact CG-CZ3 4.41Å; L271-W336 VanDerWaalsContact O-CH2 3.23Å; L271-W336 WeakPolarHBondContact O-CH2 3.49Å; A274-W336 HydrophobicContact CB-CH2 4.17Å; A274-W336 HydrophobicContact CB-CZ2 3.49Å; A274-W336 VanDerWaalsContact CB-CZ2 3.49Å; N275-W336 HydrophobicContact CB-CH2 4.28Å; N275-W336 HydrophobicContact CB-CZ2 4Å; V286-W336 WeakPolarHBondContact O-CA 3.21Å; F288-W336 HydrophobicContact CE2-CB 3.96Å; F288-W336 AromaticContact CE2-CD2 3.62Å; F288-W336 HydrophobicContact CE2-CD2 3.62Å; F288-W336 AromaticContact CE2-CE3 3.83Å; F288-W336 HydrophobicContact CE2-CE3 3.83Å; F288-W336 AromaticContact CE2-CG 3.69Å; F288-W336 HydrophobicContact CE2-CG 3.69Å; F288-W336 AromaticContact CZ-CD2 3.95Å; F288-W336 HydrophobicContact CZ-CD2 3.95Å; F288-W336 HydrophobicContact CZ-CE3 4.06Å; F288-W336 HydrophobicContact CZ-CG 4.4Å; F288-W336 HydrophobicContact CZ-CZ2 4.44Å; F288-W336 HydrophobicContact CZ-CZ3 4.35Å; W327-W336 HydrophobicContact CB-CE3 4.34Å; W327-W336 HydrophobicContact CB-CH2 4.23Å; W327-W336 HydrophobicContact CB-CZ3 3.66Å; W327-W336 AromaticContact CD1-CH2 3.24Å; W327-W336 AromaticContact CD1-CZ3 3.61Å; W327-W336 HydrophobicContact CD2-CH2 4.16Å; W327-W336 HydrophobicContact CD2-CZ3 4.1Å; W327-W336 AromaticContact CG-CH2 3.64Å; W327-W336 HydrophobicContact CG-CH2 3.64Å; W327-W336 AromaticContact CG-CZ3 3.51Å; W327-W336 HydrophobicContact CG-CZ3 3.51Å; W327-W336 AromaticContact NE1-CH2 3.52Å; Y330-W336 AromaticContact CD2-CD2 3.99Å; Y330-W336 HydrophobicContact CD2-CD2 3.99Å; Y330-W336 AromaticContact CD2-CE2 3.57Å; Y330-W336 HydrophobicContact CD2-CG 4.43Å; Y330-W336 HydrophobicContact CD2-CH2 4.32Å; Y330-W336 AromaticContact CD2-CZ2 3.73Å; Y330-W336 HydrophobicContact CD2-CZ2 3.73Å; Y330-W336 AromaticContact CD2-NE1 3.8Å; Y330-W336 HydrophobicContact CE2-CZ2 4.18Å; Y330-W336 HydrophobicContact CG-CD2 4.37Å; Y330-W336 HydrophobicContact CG-CG 4.39Å; Y330-W336 PolarHBondContact O-N 2.72Å; V331-W336 WeakPolarHBondContact CA-O 3.31Å; V331-W336 HydrophobicContact CG2-CB 4Å; V331-W336 HydrophobicContact CG2-CE3 4.37Å; G334-W336 VanDerWaalsContact C-N 3.29Å
337	S	98.7	Very high	98.2	Very high	25 Å²	25	41.2 Å²	41.2	18%	0.175	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	140.8	171.1	51.6	0	0	0	0	111	V286 R287 F288 H339	V286-S337 PolarHBondContact O-N 2.92Å; V286-S337 VanDerWaalsContact O-N 3.1Å; R287-S337 WeakPolarHBondContact CA-O 3.42Å; F288-S337 PolarHBondContact N-O 3.12Å; S337-H339 WeakPolarHBondContact CB-NE2 3.36Å; S337-H339 PolarHBondContact OG-NE2 3.33Å
338	Y	98.8	Very high	98.2	Very high	40 Å²	40	41.8 Å²	41.8	16%	0.157	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	134.1	171.4	-178.8	-82.7	0	0	0	108.8	L260 F288 G290 K291 V300 T301 S302 F305 D340	L260-Y338 HydrophobicContact CD1-CE2 4.33Å; F288-Y338 HydrophobicContact CB-CD2 4.24Å; F288-Y338 CarbonylContact O-C 3.57Å; F288-Y338 WeakPolarHBondContact O-CA 3.38Å; G290-Y338 WeakPolarHBondContact CA-OH 3.16Å; K291-Y338 PolarHBondContact N-OH 3.42Å; V300-Y338 HydrophobicContact CG1-CE2 4.22Å; V300-Y338 PolarHBondContact O-OH 3.34Å; T301-Y338 WeakPolarHBondContact CA-OH 3.47Å; S302-Y338 VanDerWaalsContact CA-CE1 3.46Å; S302-Y338 VanDerWaalsContact CA-CZ 3.47Å; S302-Y338 VanDerWaalsContact CB-CE1 3.42Å; S302-Y338 VanDerWaalsContact N-CZ 3.31Å; S302-Y338 PolarHBondContact N-OH 2.89Å; F305-Y338 HydrophobicContact CB-CD2 3.69Å; F305-Y338 HydrophobicContact CB-CE2 3.9Å; F305-Y338 HydrophobicContact CB-CG 4.49Å; F305-Y338 HydrophobicContact CD1-CD2 4.02Å; F305-Y338 HydrophobicContact CD1-CG 4.3Å; F305-Y338 AromaticContact CD2-CD2 3.8Å; F305-Y338 HydrophobicContact CD2-CD2 3.8Å; F305-Y338 HydrophobicContact CD2-CE2 4.46Å; F305-Y338 HydrophobicContact CE2-CD2 4.41Å; F305-Y338 AromaticContact CG-CD2 3.57Å; F305-Y338 HydrophobicContact CG-CD2 3.57Å; F305-Y338 HydrophobicContact CG-CE2 4.25Å; F305-Y338 HydrophobicContact CG-CG 4.29Å; Y338-D340 HydrophobicContact CE1-CB 3.98Å
339	H	98.6	Very high	98.2	Very high	63 Å²	63	38.9 Å²	38.9	29%	0.292	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	137.9	175.6	-57.3	-92.6	0	0	0	107.9	F288 H289 G290 S337	F288-H339 PolarHBondContact O-N 3.28Å; H289-H339 CarbonylContact C-O 3.54Å; H289-H339 VanDerWaalsContact CA-O 3.26Å; H289-H339 WeakPolarHBondContact CA-O 2.97Å; G290-H339 PolarHBondContact N-O 3.12Å; S337-H339 WeakPolarHBondContact CB-NE2 3.36Å; S337-H339 PolarHBondContact OG-NE2 3.33Å
340	D	96.6	Very high	98.2	Very high	78 Å²	78	37.4 Å²	37.4	42%	0.417	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	164.3	160	56.6	12.2	0	0	0	108.8	Y338	Y338-D340 HydrophobicContact CE1-CB 3.98Å
341	H	97.9	Very high	98.2	Very high	39 Å²	39	38.1 Å²	38.1	18%	0.181	20%	0.198	C	C	.	.			trans	-157.9	134.7	176.8	-172.5	-85.8	0	0	0	107.4	F343 W344 D359 L360	H341-F343 WeakPolarHBondContact ND1-CB 3.3Å; H341-F343 PolarHBondContact ND1-N 3.4Å; H341-F343 VanDerWaalsContact ND1-N 3.17Å; H341-F343 PolarHBondContact O-N 3.14Å; H341-W344 PolarHBondContact O-N 3.25Å; H341-D359 IonicContact CD2-OD2 2.67Å; H341-D359 IonicContact NE2-OD1 2.99Å; H341-D359 IonicContact NE2-OD2 2.85Å; H341-D359 PolarHBondContact NE2-OD2 2.99Å; H341-L360 HydrophobicContact CB-CD1 4.24Å; H341-L360 HydrophobicContact CB-CD2 4.15Å
342	P	96.5	Very high	98.1	Very high	43 Å²	43	36.2 Å²	36.2	28%	0.279	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-51.4	-35.3	-176.2	-29.9	35.4	0	0	0	113.3	W344 T345 M346	P342-W344 PolarHBondContact O-N 3.14Å; P342-W344 VanDerWaalsContact O-N 3.14Å; P342-T345 CarbonylContact O-C 3.51Å; P342-T345 WeakPolarHBondContact O-CA 3.39Å; P342-T345 PolarHBondContact O-N 3.33Å; P342-T345 PolarHBondContact O-OG1 3.06Å; P342-M346 WeakPolarHBondContact O-CG 3.41Å; P342-M346 PolarHBondContact O-N 3.4Å; P342-M346 VanDerWaalsContact O-N 3.09Å
343	F	98.3	Very high	98.1	Very high	5 Å²	5	27.6 Å²	27.6	2%	0.022	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-51.2	-36.4	177.6	-170.6	-90.8	0	0	0	114.3	H341 T345 M346 H348 Y350 M353 D356 A357 L360	H341-F343 WeakPolarHBondContact ND1-CB 3.3Å; H341-F343 PolarHBondContact ND1-N 3.4Å; H341-F343 VanDerWaalsContact ND1-N 3.17Å; H341-F343 PolarHBondContact O-N 3.14Å; F343-T345 PolarHBondContact O-N 3.15Å; F343-M346 WeakPolarHBondContact O-CB 3.39Å; F343-M346 PolarHBondContact O-N 2.93Å; F343-M346 VanDerWaalsContact O-N 3.08Å; F343-H348 HydrophobicContact CD2-CB 4.46Å; F343-H348 HydrophobicContact CE2-CB 3.61Å; F343-H348 HydrophobicContact CZ-CB 3.79Å; F343-Y350 AromaticContact CE1-CD1 3.67Å; F343-Y350 HydrophobicContact CE1-CD1 3.67Å; F343-Y350 HydrophobicContact CE1-CE1 4Å; F343-Y350 HydrophobicContact CZ-CD1 4.38Å; F343-M353 HydrophobicContact CD1-CE 3.63Å; F343-M353 HydrophobicContact CD1-CG 4.09Å; F343-M353 HydrophobicContact CE1-CB 3.79Å; F343-M353 HydrophobicContact CE1-CE 3.33Å; F343-M353 HydrophobicContact CE1-CG 3.76Å; F343-M353 HydrophobicContact CE1-SD 4.37Å; F343-M353 HydrophobicContact CE2-CB 4.07Å; F343-M353 HydrophobicContact CE2-CG 4.22Å; F343-M353 HydrophobicContact CG-CG 4.47Å; F343-M353 HydrophobicContact CZ-CB 3.49Å; F343-M353 VanDerWaalsContact CZ-CB 3.49Å; F343-M353 HydrophobicContact CZ-CE 4.26Å; F343-M353 HydrophobicContact CZ-CG 3.83Å; F343-D356 HydrophobicContact CE2-CB 4.26Å; F343-A357 HydrophobicContact CB-CB 3.93Å; F343-A357 HydrophobicContact CD2-CB 3.5Å; F343-A357 HydrophobicContact CE2-CB 4.23Å; F343-A357 HydrophobicContact CG-CB 3.84Å; F343-L360 HydrophobicContact CB-CD2 3.82Å; F343-L360 HydrophobicContact CD1-CD2 3.91Å; F343-L360 HydrophobicContact CG-CD2 4.12Å
344	W	98.6	Very high	98.1	Very high	1 Å²	1	24.3 Å²	24.3	0%	0.004	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-63	-29.9	178.9	-61.8	126	0	0	0	112.4	V259 H289 K291 H341 P342 Y350 M353 L360 L364 F372 K380	V259-W344 HydrophobicContact CB-CH2 4.41Å; V259-W344 HydrophobicContact CG1-CD2 4.33Å; V259-W344 HydrophobicContact CG1-CE3 3.89Å; V259-W344 HydrophobicContact CG1-CH2 3.84Å; V259-W344 HydrophobicContact CG1-CZ2 4.26Å; V259-W344 HydrophobicContact CG1-CZ3 3.65Å; V259-W344 HydrophobicContact CG2-CH2 3.62Å; V259-W344 HydrophobicContact CG2-CZ2 3.99Å; V259-W344 HydrophobicContact CG2-CZ3 4.24Å; H289-W344 HydrophobicContact CB-CZ2 3.98Å; H289-W344 AromaticContact ND1-CZ2 3.92Å; H289-W344 AromaticContact ND1-NE1 3.72Å; K291-W344 HydrophobicContact CD-CB 3.9Å; H341-W344 PolarHBondContact O-N 3.25Å; P342-W344 PolarHBondContact O-N 3.14Å; P342-W344 VanDerWaalsContact O-N 3.14Å; W344-Y350 AromaticContact CE3-CE1 3.92Å; W344-Y350 HydrophobicContact CE3-CE1 3.92Å; W344-Y350 AromaticContact CE3-CZ 3.81Å; W344-Y350 AromaticContact CZ3-CE1 3.77Å; W344-Y350 HydrophobicContact CZ3-CE1 3.77Å; W344-Y350 HydrophobicContact CZ3-CE2 4.08Å; W344-Y350 AromaticContact CZ3-CZ 3.51Å; W344-Y350 WeakPolarHBondContact CZ3-OH 3.35Å; W344-M353 HydrophobicContact CH2-CE 3.78Å; W344-M353 HydrophobicContact CZ3-CE 3.83Å; W344-L360 HydrophobicContact CD2-CD2 4.34Å; W344-L360 HydrophobicContact CH2-CD2 4.4Å; W344-L360 HydrophobicContact CZ2-CD1 4Å; W344-L360 HydrophobicContact CZ2-CD2 3.85Å; W344-L360 HydrophobicContact CZ2-CG 4.33Å; W344-L364 HydrophobicContact CH2-CD1 3.99Å; W344-L364 HydrophobicContact CZ2-CD1 4.29Å; W344-F372 HydrophobicContact CH2-CE1 4.16Å; W344-F372 HydrophobicContact CZ3-CE1 4.12Å; W344-K380 PolarHBondContact O-NZ 2.87Å
345	T	98.5	Very high	98.1	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.012	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-101.9	8.9	176.2	48.9	0	0	0	0	113.3	W95 K291 I293 W295 P342 F343	W95-T345 WeakPolarHBondContact CZ2-O 3.3Å; K291-T345 HydrophobicContact CB-CG2 3.64Å; K291-T345 HydrophobicContact CD-CG2 4.03Å; K291-T345 HydrophobicContact CG-CG2 4.23Å; I293-T345 HydrophobicContact CG1-CG2 3.8Å; W295-T345 HydrophobicContact CB-CG2 4.26Å; W295-T345 HydrophobicContact CD2-CG2 3.83Å; W295-T345 HydrophobicContact CE3-CG2 4.05Å; W295-T345 HydrophobicContact CG-CG2 3.95Å; W295-T345 WeakPolarHBondContact CH2-O 3.37Å; P342-T345 CarbonylContact O-C 3.51Å; P342-T345 WeakPolarHBondContact O-CA 3.39Å; P342-T345 PolarHBondContact O-N 3.33Å; P342-T345 PolarHBondContact O-OG1 3.06Å; F343-T345 PolarHBondContact O-N 3.15Å
346	M	98.3	Very high	98	Very high	8 Å²	8	28 Å²	28	4%	0.039	17%	0.172	C	C	.	.	S	Bend	trans	-86.6	161.1	169.7	-68.3	-58.2	-74.3	0	0	111.4	D91 W95 P342 F343 H348 K380	D91-M346 HydrophobicContact CB-SD 4.15Å; W95-M346 HydrophobicContact CB-CE 4.49Å; W95-M346 HydrophobicContact CD2-CE 4.26Å; W95-M346 HydrophobicContact CD2-SD 4.33Å; W95-M346 HydrophobicContact CG-CE 3.93Å; W95-M346 HydrophobicContact CG-SD 4.13Å; W95-M346 PolarHBondContact NE1-SD 2.91Å; P342-M346 WeakPolarHBondContact O-CG 3.41Å; P342-M346 PolarHBondContact O-N 3.4Å; P342-M346 VanDerWaalsContact O-N 3.09Å; F343-M346 WeakPolarHBondContact O-CB 3.39Å; F343-M346 PolarHBondContact O-N 2.93Å; F343-M346 VanDerWaalsContact O-N 3.08Å; M346-H348 WeakPolarHBondContact CB-ND1 3.45Å; M346-H348 PolarHBondContact O-N 3.46Å; M346-K380 WeakPolarHBondContact O-CE 3.37Å; M346-K380 PolarHBondContact O-NZ 2.8Å
347	P	97.7	Very high	97.9	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-84.1	8.6	179.8	36.4	-38.1	0	0	0	114.1	W95 Y98 Y121 C124	W95-P347 HydrophobicContact CE3-CG 3.84Å; W95-P347 HydrophobicContact CH2-CB 4.02Å; W95-P347 HydrophobicContact CH2-CG 3.91Å; W95-P347 HydrophobicContact CZ3-CB 3.89Å; W95-P347 HydrophobicContact CZ3-CG 3.51Å; Y98-P347 HydrophobicContact CD1-CB 4.09Å; Y98-P347 HydrophobicContact CD1-CG 3.29Å; Y98-P347 HydrophobicContact CD2-CG 4.34Å; Y98-P347 HydrophobicContact CE1-CB 3.77Å; Y98-P347 HydrophobicContact CE1-CG 3.47Å; Y98-P347 VanDerWaalsContact CE1-CG 3.47Å; Y98-P347 HydrophobicContact CG-CG 3.73Å; Y98-P347 PolarHBondContact OH-O 3.33Å; Y98-P347 VanDerWaalsContact OH-O 3.04Å; Y121-P347 HydrophobicContact CD2-CB 3.62Å; Y121-P347 HydrophobicContact CD2-CG 3.85Å; Y121-P347 HydrophobicContact CE2-CB 4.33Å; Y121-P347 HydrophobicContact CE2-CG 4.13Å; C124-P347 HydrophobicContact CB-CB 3.89Å
348	H	98	Very high	97.9	Very high	13 Å²	13	30.5 Å²	30.5	6%	0.06	19%	0.188	C	C	.	.			trans	-67.3	146.4	-178	-65.3	83.6	0	0	0	111.3	Y98 F343 M346 D352 D356	Y98-H348 AromaticContact CD2-CD2 3.59Å; Y98-H348 AromaticContact CD2-CE1 3.63Å; Y98-H348 AromaticContact CD2-NE2 3.24Å; Y98-H348 WeakPolarHBondContact CD2-NE2 3.35Å; Y98-H348 AromaticContact CE2-CD2 3.51Å; Y98-H348 AromaticContact CE2-CG 3.89Å; Y98-H348 AromaticContact CE2-NE2 3.71Å; F343-H348 HydrophobicContact CD2-CB 4.46Å; F343-H348 HydrophobicContact CE2-CB 3.61Å; F343-H348 HydrophobicContact CZ-CB 3.79Å; M346-H348 WeakPolarHBondContact CB-ND1 3.45Å; M346-H348 PolarHBondContact O-N 3.46Å; H348-D352 HydrophobicContact CB-CB 4.36Å; H348-D356 IonicContact CD2-OD2 3.15Å; H348-D356 PolarHBondContact CD2-OD2 2.76Å; H348-D356 IonicContact NE2-OD1 3.01Å; H348-D356 IonicContact NE2-OD2 3.57Å
349	E	98.3	Very high	97.9	Very high	9 Å²	9	33 Å²	33	4%	0.042	20%	0.204	C	C	.	.			trans	-74.4	151.2	166	-57.3	175.4	-176.5	0	0	108.7	L120 C351 D352 R385 R398	L120-E349 HydrophobicContact CD2-CG 4.29Å; E349-C351 PolarHBondContact O-N 2.69Å; E349-D352 VanDerWaalsContact O-CB 3.32Å; E349-D352 WeakPolarHBondContact O-CB 3.41Å; E349-D352 PolarHBondContact O-N 2.99Å; E349-R385 IonicContact OE1-CZ 3.15Å; E349-R385 IonicContact OE1-NE 3.26Å; E349-R385 PolarHBondContact OE1-NE 3.48Å; E349-R385 IonicContact OE1-NH2 3.65Å; E349-R385 PolarHBondContact OE1-NH2 3.18Å; E349-R385 IonicContact OE2-NE 3.87Å; E349-R385 IonicContact OE2-NH2 3.54Å; E349-R385 PolarHBondContact OE2-NH2 3.38Å; E349-R398 IonicContact OE2-CZ 3.74Å; E349-R398 IonicContact OE2-NH1 3.49Å; E349-R398 PolarHBondContact OE2-NH1 3.27Å; E349-R398 IonicContact OE2-NH2 2.96Å
350	Y	98.7	Very high	97.9	Very high	1 Å²	1	30.2 Å²	30.2	0%	0.004	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-67.9	-25	-175.9	-69.6	-12.6	0	0	0	113.3	F343 W344 D352 M353 F372 N377 K380 L381 F400	F343-Y350 AromaticContact CE1-CD1 3.67Å; F343-Y350 HydrophobicContact CE1-CD1 3.67Å; F343-Y350 HydrophobicContact CE1-CE1 4Å; F343-Y350 HydrophobicContact CZ-CD1 4.38Å; W344-Y350 AromaticContact CE3-CE1 3.92Å; W344-Y350 HydrophobicContact CE3-CE1 3.92Å; W344-Y350 AromaticContact CE3-CZ 3.81Å; W344-Y350 AromaticContact CZ3-CE1 3.77Å; W344-Y350 HydrophobicContact CZ3-CE1 3.77Å; W344-Y350 HydrophobicContact CZ3-CE2 4.08Å; W344-Y350 AromaticContact CZ3-CZ 3.51Å; W344-Y350 WeakPolarHBondContact CZ3-OH 3.35Å; Y350-D352 PolarHBondContact O-N 3.5Å; Y350-D352 VanDerWaalsContact O-N 3.12Å; Y350-M353 HydrophobicContact CD1-CE 4.25Å; Y350-M353 WeakPolarHBondContact O-CB 3.44Å; Y350-M353 PolarHBondContact O-N 2.97Å; Y350-F372 HydrophobicContact CD2-CD1 4.37Å; Y350-F372 AromaticContact CD2-CE1 3.85Å; Y350-F372 HydrophobicContact CD2-CE1 3.85Å; Y350-F372 HydrophobicContact CD2-CZ 4.49Å; Y350-F372 AromaticContact CE2-CD1 3.75Å; Y350-F372 HydrophobicContact CE2-CD1 3.75Å; Y350-F372 AromaticContact CE2-CE1 3.48Å; Y350-F372 HydrophobicContact CE2-CE1 3.48Å; Y350-F372 VanDerWaalsContact CE2-CE1 3.48Å; Y350-N377 HydrophobicContact CE2-CB 4.5Å; Y350-N377 PolarHBondContact OH-OD1 3.34Å; Y350-K380 HydrophobicContact CD1-CB 3.68Å; Y350-K380 HydrophobicContact CD1-CD 4.02Å; Y350-K380 HydrophobicContact CD1-CG 4.46Å; Y350-K380 HydrophobicContact CD2-CB 3.92Å; Y350-K380 HydrophobicContact CE1-CB 3.57Å; Y350-K380 HydrophobicContact CE1-CD 3.3Å; Y350-K380 HydrophobicContact CE1-CG 4.08Å; Y350-K380 HydrophobicContact CE2-CB 3.75Å; Y350-K380 HydrophobicContact CG-CB 3.87Å; Y350-K380 PolarHBondContact N-O 2.98Å; Y350-L381 HydrophobicContact CD2-CB 4.47Å; Y350-L381 HydrophobicContact CD2-CD2 3.69Å; Y350-L381 HydrophobicContact CD2-CG 3.74Å; Y350-L381 HydrophobicContact CE2-CD2 4.46Å; Y350-L381 HydrophobicContact CE2-CG 4.21Å; Y350-F400 HydrophobicContact CD2-CE1 4.31Å; Y350-F400 HydrophobicContact CD2-CZ 4.5Å; Y350-F400 HydrophobicContact CG-CZ 4.49Å; Y350-F400 WeakPolarHBondContact O-CD2 3.19Å
351	C	98	Very high	97.9	Very high	31 Å²	31	28.3 Å²	28.3	21%	0.209	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-61.5	-18.2	171	66.4	0	0	0	0	114.1	E349 R398 F400	E349-C351 PolarHBondContact O-N 2.69Å; C351-R398 HydrophobicContact CB-CB 3.85Å; C351-F400 HydrophobicContact CB-CB 4.5Å
352	D	97.5	Very high	98	Very high	23 Å²	23	28.9 Å²	28.9	12%	0.123	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-84.3	-13.7	175.9	-69.8	-35.8	0	0	0	112.6	R101 H348 E349 Y350 A354 G355 D356	R101-D352 IonicContact CZ-OD1 2.93Å; R101-D352 IonicContact CZ-OD2 2.71Å; R101-D352 VanDerWaalsContact CZ-OD2 3.3Å; R101-D352 IonicContact NH1-OD1 2.7Å; R101-D352 IonicContact NH1-OD2 3.95Å; R101-D352 PolarHBondContact NH1-OD2 2.89Å; R101-D352 VanDerWaalsContact NH1-OD2 3.15Å; R101-D352 IonicContact NH2-OD1 3.18Å; R101-D352 PolarHBondContact NH2-OD1 2.95Å; R101-D352 IonicContact NH2-OD2 3.5Å; R101-D352 PolarHBondContact NH2-OD2 3.01Å; H348-D352 HydrophobicContact CB-CB 4.36Å; E349-D352 VanDerWaalsContact O-CB 3.32Å; E349-D352 WeakPolarHBondContact O-CB 3.41Å; E349-D352 PolarHBondContact O-N 2.99Å; Y350-D352 PolarHBondContact O-N 3.5Å; Y350-D352 VanDerWaalsContact O-N 3.12Å; D352-A354 VanDerWaalsContact C-N 3.34Å; D352-A354 PolarHBondContact O-N 3.09Å; D352-G355 PolarHBondContact O-N 2.68Å; D352-D356 WeakPolarHBondContact CB-OD2 3.33Å; D352-D356 PolarHBondContact O-N 3.01Å
353	M	98.5	Very high	98	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-58.3	-39.4	-170.7	-168.9	-171.4	-71	0	0	113.5	F343 W344 Y350 G355 D356 A357 L360 Y361 L364 F400	F343-M353 HydrophobicContact CD1-CE 3.63Å; F343-M353 HydrophobicContact CD1-CG 4.09Å; F343-M353 HydrophobicContact CE1-CB 3.79Å; F343-M353 HydrophobicContact CE1-CE 3.33Å; F343-M353 HydrophobicContact CE1-CG 3.76Å; F343-M353 HydrophobicContact CE1-SD 4.37Å; F343-M353 HydrophobicContact CE2-CB 4.07Å; F343-M353 HydrophobicContact CE2-CG 4.22Å; F343-M353 HydrophobicContact CG-CG 4.47Å; F343-M353 HydrophobicContact CZ-CB 3.49Å; F343-M353 VanDerWaalsContact CZ-CB 3.49Å; F343-M353 HydrophobicContact CZ-CE 4.26Å; F343-M353 HydrophobicContact CZ-CG 3.83Å; W344-M353 HydrophobicContact CH2-CE 3.78Å; W344-M353 HydrophobicContact CZ3-CE 3.83Å; Y350-M353 HydrophobicContact CD1-CE 4.25Å; Y350-M353 WeakPolarHBondContact O-CB 3.44Å; Y350-M353 PolarHBondContact O-N 2.97Å; M353-G355 PolarHBondContact O-N 2.77Å; M353-D356 PolarHBondContact O-N 2.88Å; M353-A357 HydrophobicContact CG-CB 4.19Å; M353-A357 CarbonylContact O-C 3.52Å; M353-A357 WeakPolarHBondContact O-CA 3.17Å; M353-A357 PolarHBondContact O-N 2.66Å; M353-A357 VanDerWaalsContact O-O 3.11Å; M353-L360 HydrophobicContact CE-CD2 3.89Å; M353-L360 HydrophobicContact CE-CG 4.43Å; M353-L360 HydrophobicContact CG-CD2 4.38Å; M353-L360 HydrophobicContact SD-CB 4.43Å; M353-L360 HydrophobicContact SD-CD2 3.88Å; M353-L360 HydrophobicContact SD-CG 3.85Å; M353-Y361 HydrophobicContact CB-CD2 4.16Å; M353-Y361 HydrophobicContact CG-CD2 4.25Å; M353-Y361 HydrophobicContact SD-CD2 4.1Å; M353-L364 HydrophobicContact CE-CD1 3.96Å; M353-L364 HydrophobicContact SD-CD1 3.62Å; M353-F400 HydrophobicContact CB-CD2 4.47Å; M353-F400 HydrophobicContact CB-CE2 4.12Å; M353-F400 HydrophobicContact CE-CE2 3.8Å; M353-F400 HydrophobicContact CE-CZ 3.97Å; M353-F400 HydrophobicContact SD-CE2 3.78Å; M353-F400 HydrophobicContact SD-CZ 4.31Å
354	A	97.6	Very high	98	Very high	56 Å²	56	29.1 Å²	29.1	46%	0.463	19%	0.191	S	C	.	.	H	α-helix	trans	-63	-25.4	179.2	0	0	0	0	0	113.3	D352 Y361	D352-A354 VanDerWaalsContact C-N 3.34Å; D352-A354 PolarHBondContact O-N 3.09Å; A354-Y361 HydrophobicContact CB-CD1 4.12Å; A354-Y361 HydrophobicContact CB-CD2 4.02Å; A354-Y361 HydrophobicContact CB-CE1 4.3Å; A354-Y361 HydrophobicContact CB-CE2 4.2Å; A354-Y361 HydrophobicContact CB-CG 3.97Å
355	G	97	Very high	98	Very high	65 Å²	65	34.4 Å²	34.4	67%	0.67	22%	0.216	S	C	*	.	H	α-helix	trans	-94.4	-42.7	176.5	0	0	0	0	0	113.3	D352 M353	D352-G355 PolarHBondContact O-N 2.68Å; M353-G355 PolarHBondContact O-N 2.77Å
356	D	96.4	Very high	97.8	Very high	84 Å²	84	36.3 Å²	36.3	45%	0.449	24%	0.236	S	C	.	.	H	α-helix	trans	-94.1	-17.8	-171	-69.6	-62.1	0	0	0	113.8	R101 F343 H348 D352 M353	R101-D356 IonicContact NH1-OD2 3.26Å; R101-D356 PolarHBondContact NH1-OD2 3.44Å; F343-D356 HydrophobicContact CE2-CB 4.26Å; H348-D356 IonicContact CD2-OD2 3.15Å; H348-D356 PolarHBondContact CD2-OD2 2.76Å; H348-D356 IonicContact NE2-OD1 3.01Å; H348-D356 IonicContact NE2-OD2 3.57Å; D352-D356 WeakPolarHBondContact CB-OD2 3.33Å; D352-D356 PolarHBondContact O-N 3.01Å; M353-D356 PolarHBondContact O-N 2.88Å
357	A	97.8	Very high	97.7	Very high	3 Å²	3	36.2 Å²	36.2	3%	0.025	24%	0.237	C	C	.	.			trans	-147.9	63.3	174.9	0	0	0	0	0	111.1	F343 M353 D359 L360 Y361	F343-A357 HydrophobicContact CB-CB 3.93Å; F343-A357 HydrophobicContact CD2-CB 3.5Å; F343-A357 HydrophobicContact CE2-CB 4.23Å; F343-A357 HydrophobicContact CG-CB 3.84Å; M353-A357 HydrophobicContact CG-CB 4.19Å; M353-A357 CarbonylContact O-C 3.52Å; M353-A357 WeakPolarHBondContact O-CA 3.17Å; M353-A357 PolarHBondContact O-N 2.66Å; M353-A357 VanDerWaalsContact O-O 3.11Å; A357-D359 PolarHBondContact O-N 2.94Å; A357-L360 HydrophobicContact CB-CB 4.08Å; A357-L360 PolarHBondContact O-N 3.15Å; A357-L360 VanDerWaalsContact O-N 3.16Å; A357-Y361 PolarHBondContact O-N 3.01Å
358	P	98.1	Very high	97.6	Very high	77 Å²	77	37.5 Å²	37.5	50%	0.5	24%	0.244	S	C	.	.	H	α-helix	trans	-61.8	-28.8	-172.7	24.7	-34.8	0	0	0	113.6	A362	P358-A362 VanDerWaalsContact O-CB 3.28Å; P358-A362 WeakPolarHBondContact O-CB 3.2Å; P358-A362 PolarHBondContact O-N 3.09Å
359	D	98.3	Very high	97.6	Very high	91 Å²	91	37 Å²	37	49%	0.487	24%	0.241	S	C	.	.	H	α-helix	trans	-69	-42.2	175.6	62.4	-48.4	0	0	0	112.3	H341 A357 T363	H341-D359 IonicContact CD2-OD2 2.67Å; H341-D359 IonicContact NE2-OD1 2.99Å; H341-D359 IonicContact NE2-OD2 2.85Å; H341-D359 PolarHBondContact NE2-OD2 2.99Å; A357-D359 PolarHBondContact O-N 2.94Å; D359-T363 WeakPolarHBondContact O-CB 3.46Å; D359-T363 PolarHBondContact O-N 3.48Å; D359-T363 PolarHBondContact O-OG1 3.45Å
360	L	98.5	Very high	97.7	Very high	6 Å²	6	36.5 Å²	36.5	3%	0.031	24%	0.239	C	C	.	.	H	α-helix	trans	-65.3	-44.2	171.3	179.3	61.9	0	0	0	110.9	H341 F343 W344 M353 A357 A362 T363 L364	H341-L360 HydrophobicContact CB-CD1 4.24Å; H341-L360 HydrophobicContact CB-CD2 4.15Å; F343-L360 HydrophobicContact CB-CD2 3.82Å; F343-L360 HydrophobicContact CD1-CD2 3.91Å; F343-L360 HydrophobicContact CG-CD2 4.12Å; W344-L360 HydrophobicContact CD2-CD2 4.34Å; W344-L360 HydrophobicContact CH2-CD2 4.4Å; W344-L360 HydrophobicContact CZ2-CD1 4Å; W344-L360 HydrophobicContact CZ2-CD2 3.85Å; W344-L360 HydrophobicContact CZ2-CG 4.33Å; M353-L360 HydrophobicContact CE-CD2 3.89Å; M353-L360 HydrophobicContact CE-CG 4.43Å; M353-L360 HydrophobicContact CG-CD2 4.38Å; M353-L360 HydrophobicContact SD-CB 4.43Å; M353-L360 HydrophobicContact SD-CD2 3.88Å; M353-L360 HydrophobicContact SD-CG 3.85Å; A357-L360 HydrophobicContact CB-CB 4.08Å; A357-L360 PolarHBondContact O-N 3.15Å; A357-L360 VanDerWaalsContact O-N 3.16Å; L360-A362 PolarHBondContact O-N 2.85Å; L360-T363 WeakPolarHBondContact O-CB 3.48Å; L360-T363 PolarHBondContact O-N 3.36Å; L360-T363 VanDerWaalsContact O-N 3.14Å; L360-L364 HydrophobicContact CD1-CG 4.43Å; L360-L364 WeakPolarHBondContact O-CG 3.27Å; L360-L364 PolarHBondContact O-N 3.25Å
361	Y	98.6	Very high	97.7	Very high	37 Å²	37	36.6 Å²	36.6	15%	0.145	24%	0.239	C	C	.	.	H	α-helix	trans	-59	-47.3	177.4	-166	-93.6	0	0	0	111.2	M353 A354 A357 T363 L364 Q365 F400 P402	M353-Y361 HydrophobicContact CB-CD2 4.16Å; M353-Y361 HydrophobicContact CG-CD2 4.25Å; M353-Y361 HydrophobicContact SD-CD2 4.1Å; A354-Y361 HydrophobicContact CB-CD1 4.12Å; A354-Y361 HydrophobicContact CB-CD2 4.02Å; A354-Y361 HydrophobicContact CB-CE1 4.3Å; A354-Y361 HydrophobicContact CB-CE2 4.2Å; A354-Y361 HydrophobicContact CB-CG 3.97Å; A357-Y361 PolarHBondContact O-N 3.01Å; Y361-T363 VanDerWaalsContact C-N 3.29Å; Y361-T363 PolarHBondContact O-N 3.04Å; Y361-L364 PolarHBondContact O-N 3.2Å; Y361-L364 VanDerWaalsContact O-N 3.15Å; Y361-Q365 HydrophobicContact CD1-CG 4.03Å; Y361-Q365 HydrophobicContact CE1-CG 3.94Å; Y361-Q365 WeakPolarHBondContact O-CG 3.46Å; Y361-Q365 PolarHBondContact O-N 2.96Å; Y361-F400 HydrophobicContact CD2-CD2 4.28Å; Y361-F400 HydrophobicContact CD2-CE2 4.02Å; Y361-F400 AromaticContact CE2-CD2 3.79Å; Y361-F400 HydrophobicContact CE2-CD2 3.79Å; Y361-F400 AromaticContact CE2-CE2 3.89Å; Y361-F400 HydrophobicContact CE2-CE2 3.89Å; Y361-P402 HydrophobicContact CD2-CB 4.21Å; Y361-P402 HydrophobicContact CE1-CB 4.16Å; Y361-P402 HydrophobicContact CE2-CB 3.82Å; Y361-P402 HydrophobicContact CE2-CG 4.11Å
362	A	98.1	Very high	97.7	Very high	52 Å²	52	35.1 Å²	35.1	43%	0.43	23%	0.229	S	C	.	.	H	α-helix	trans	-61.1	-37.5	175.3	0	0	0	0	0	112.4	P358 L360 Q365	P358-A362 VanDerWaalsContact O-CB 3.28Å; P358-A362 WeakPolarHBondContact O-CB 3.2Å; P358-A362 PolarHBondContact O-N 3.09Å; L360-A362 PolarHBondContact O-N 2.85Å; A362-Q365 PolarHBondContact O-N 2.92Å
363	T	97.8	Very high	97.8	Very high	53 Å²	53	34 Å²	34	33%	0.325	22%	0.224	S	C	.	.	H	α-helix	trans	-59.7	-50	172.8	-63.5	0	0	0	0	110.4	R255 D359 L360 Y361 Q365 G366	R255-T363 PolarHBondContact NH2-O 3.04Å; D359-T363 WeakPolarHBondContact O-CB 3.46Å; D359-T363 PolarHBondContact O-N 3.48Å; D359-T363 PolarHBondContact O-OG1 3.45Å; L360-T363 WeakPolarHBondContact O-CB 3.48Å; L360-T363 PolarHBondContact O-N 3.36Å; L360-T363 VanDerWaalsContact O-N 3.14Å; Y361-T363 VanDerWaalsContact C-N 3.29Å; Y361-T363 PolarHBondContact O-N 3.04Å; T363-Q365 VanDerWaalsContact C-N 3.3Å; T363-Q365 PolarHBondContact O-N 3.47Å; T363-G366 PolarHBondContact O-N 3.22Å; T363-G366 VanDerWaalsContact O-N 3.16Å
364	L	98.3	Very high	97.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.7	-29.7	179.7	-66.6	-178.6	0	0	0	113.2	W344 M353 L360 Y361 G366 A367 I370 F400 P402	W344-L364 HydrophobicContact CH2-CD1 3.99Å; W344-L364 HydrophobicContact CZ2-CD1 4.29Å; M353-L364 HydrophobicContact CE-CD1 3.96Å; M353-L364 HydrophobicContact SD-CD1 3.62Å; L360-L364 HydrophobicContact CD1-CG 4.43Å; L360-L364 WeakPolarHBondContact O-CG 3.27Å; L360-L364 PolarHBondContact O-N 3.25Å; Y361-L364 PolarHBondContact O-N 3.2Å; Y361-L364 VanDerWaalsContact O-N 3.15Å; L364-G366 PolarHBondContact O-N 3.44Å; L364-G366 VanDerWaalsContact O-N 3.16Å; L364-A367 VanDerWaalsContact O-CB 3.27Å; L364-A367 WeakPolarHBondContact O-CB 3.43Å; L364-A367 PolarHBondContact O-N 2.68Å; L364-I370 HydrophobicContact CB-CD1 3.9Å; L364-I370 HydrophobicContact CD2-CD1 4.22Å; L364-I370 HydrophobicContact CG-CD1 4.43Å; L364-F400 HydrophobicContact CD1-CZ 4.26Å; L364-P402 HydrophobicContact CB-CB 3.87Å; L364-P402 HydrophobicContact CB-CG 3.9Å; L364-P402 HydrophobicContact CD1-CG 4.33Å
365	Q	97.4	Very high	97.8	Very high	111 Å²	111	32.1 Å²	32.1	52%	0.519	21%	0.206	S	C	.	.	H	α-helix	trans	-61.9	-20.4	175.1	-72.6	-178.6	-66.8	0	0	113.7	Y361 A362 T363 A367 P402	Y361-Q365 HydrophobicContact CD1-CG 4.03Å; Y361-Q365 HydrophobicContact CE1-CG 3.94Å; Y361-Q365 WeakPolarHBondContact O-CG 3.46Å; Y361-Q365 PolarHBondContact O-N 2.96Å; A362-Q365 PolarHBondContact O-N 2.92Å; T363-Q365 VanDerWaalsContact C-N 3.3Å; T363-Q365 PolarHBondContact O-N 3.47Å; Q365-A367 VanDerWaalsContact C-N 3.27Å; Q365-A367 PolarHBondContact O-N 3.41Å; Q365-P402 WeakPolarHBondContact CA-O 3.16Å; Q365-P402 HydrophobicContact CG-CB 3.83Å; Q365-P402 WeakPolarHBondContact CG-O 3.34Å
366	G	94.8	Very high	97.9	Very high	42 Å²	42	29.6 Å²	29.6	43%	0.433	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-1.9	174.3	0	0	0	0	0	114.9	R255 T363 L364	R255-G366 VanDerWaalsContact CZ-O 3.28Å; T363-G366 PolarHBondContact O-N 3.22Å; T363-G366 VanDerWaalsContact O-N 3.16Å; L364-G366 PolarHBondContact O-N 3.44Å; L364-G366 VanDerWaalsContact O-N 3.16Å
367	A	96.6	Very high	98	Very high	7 Å²	7	25.7 Å²	25.7	6%	0.058	16%	0.156	C	C	.	.			trans	-82.6	145.9	-178.7	0	0	0	0	0	110.2	D257 L364 Q365 I370 A403	D257-A367 HydrophobicContact CB-CB 4.22Å; D257-A367 VanDerWaalsContact OD1-CB 3.28Å; D257-A367 WeakPolarHBondContact OD1-CB 3.32Å; L364-A367 VanDerWaalsContact O-CB 3.27Å; L364-A367 WeakPolarHBondContact O-CB 3.43Å; L364-A367 PolarHBondContact O-N 2.68Å; Q365-A367 VanDerWaalsContact C-N 3.27Å; Q365-A367 PolarHBondContact O-N 3.41Å; A367-I370 HydrophobicContact CB-CD1 4.29Å; A367-I370 HydrophobicContact CB-CG1 3.64Å; A367-A403 HydrophobicContact CB-CB 4.1Å; A367-A403 VanDerWaalsContact O-CB 3.26Å; A367-A403 WeakPolarHBondContact O-CB 3.33Å
368	D	96.2	Very high	98.1	Very high	27 Å²	27	25.5 Å²	25.5	14%	0.144	16%	0.155	C	C	.	.	S	Bend	trans	-89.6	-22.9	168.9	-61.7	-77.3	0	0	0	111.4	A242 R244 G254 R255	A242-D368 HydrophobicContact CB-CB 3.59Å; R244-D368 IonicContact CZ-OD1 3.96Å; R244-D368 IonicContact NH2-OD1 2.72Å; R244-D368 PolarHBondContact NH2-OD1 3.4Å; G254-D368 WeakPolarHBondContact CA-OD2 3.34Å; R255-D368 PolarHBondContact N-OD2 3.1Å; R255-D368 PolarHBondContact O-N 2.83Å
369	L	98	Very high	98.1	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	139	169.2	177.2	68.3	0	0	0	110.5	V235 L239 R255 V256 D257 L371 P404 F445	V235-L369 HydrophobicContact CG1-CD1 4.28Å; V235-L369 HydrophobicContact CG1-CD2 3.56Å; L239-L369 HydrophobicContact CD1-CD2 4.16Å; L239-L369 HydrophobicContact CD2-CB 4.29Å; L239-L369 HydrophobicContact CD2-CD2 3.66Å; L239-L369 HydrophobicContact CG-CD2 3.77Å; R255-L369 PolarHBondContact O-N 3.4Å; V256-L369 WeakPolarHBondContact CA-O 3Å; V256-L369 HydrophobicContact CG2-CB 4.45Å; D257-L369 PolarHBondContact N-O 2.67Å; L369-L371 HydrophobicContact CD1-CD2 4.48Å; L369-L371 HydrophobicContact CD2-CD2 3.83Å; L369-L371 HydrophobicContact CD2-CG 4.25Å; L369-L371 HydrophobicContact CG-CD2 4.13Å; L369-L371 HydrophobicContact CG-CG 4.46Å; L369-P404 CarbonylContact C-O 3.52Å; L369-P404 WeakPolarHBondContact CA-O 3.45Å; L369-F445 HydrophobicContact CD1-CE2 4.03Å
370	I	98.8	Very high	98.1	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	121.8	171.2	-47.5	170.9	0	0	0	110.1	D257 V259 L364 A367 F372 P402 A403 P404 L405 C406	D257-I370 HydrophobicContact CB-CG1 4.23Å; D257-I370 HydrophobicContact CB-CG2 4.17Å; D257-I370 CarbonylContact O-C 3.04Å; D257-I370 WeakPolarHBondContact O-CA 3.41Å; V259-I370 HydrophobicContact CG2-CG2 3.98Å; L364-I370 HydrophobicContact CB-CD1 3.9Å; L364-I370 HydrophobicContact CD2-CD1 4.22Å; L364-I370 HydrophobicContact CG-CD1 4.43Å; A367-I370 HydrophobicContact CB-CD1 4.29Å; A367-I370 HydrophobicContact CB-CG1 3.64Å; I370-F372 HydrophobicContact CB-CD2 4.48Å; I370-F372 HydrophobicContact CB-CE2 3.96Å; I370-F372 HydrophobicContact CG2-CD2 3.89Å; I370-F372 HydrophobicContact CG2-CE2 3.38Å; I370-F372 HydrophobicContact CG2-CZ 3.78Å; I370-P402 HydrophobicContact CD1-CG 3.82Å; I370-A403 HydrophobicContact CD1-CB 3.89Å; I370-A403 HydrophobicContact CG1-CB 4.14Å; I370-P404 PolarHBondContact N-O 2.97Å; I370-L405 HydrophobicContact CB-CB 4.16Å; I370-L405 CarbonylContact O-C 3.1Å; I370-L405 WeakPolarHBondContact O-CA 3.36Å; I370-C406 PolarHBondContact O-N 3.16Å
371	L	98.9	Very high	98.1	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.01	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	117.6	173.1	-60.8	-178.2	0	0	0	110	V235 V256 D257 I258 V259 L273 L369 C406 L408	V235-L371 HydrophobicContact CG1-CD2 4.3Å; V256-L371 HydrophobicContact CG1-CD1 4.47Å; V256-L371 HydrophobicContact CG1-CG 4.49Å; D257-L371 PolarHBondContact O-N 2.92Å; I258-L371 CarbonylContact C-O 3.5Å; I258-L371 WeakPolarHBondContact CA-O 3.07Å; I258-L371 HydrophobicContact CG1-CB 4.35Å; I258-L371 HydrophobicContact CG1-CD1 4.36Å; I258-L371 HydrophobicContact CG2-CB 4.46Å; V259-L371 PolarHBondContact N-O 3.16Å; L273-L371 HydrophobicContact CD2-CD1 3.89Å; L369-L371 HydrophobicContact CD1-CD2 4.48Å; L369-L371 HydrophobicContact CD2-CD2 3.83Å; L369-L371 HydrophobicContact CD2-CG 4.25Å; L369-L371 HydrophobicContact CG-CD2 4.13Å; L369-L371 HydrophobicContact CG-CG 4.46Å; L371-C406 CarbonylContact C-O 3.58Å; L371-C406 WeakPolarHBondContact CA-O 3.37Å; L371-C406 HydrophobicContact CD2-CB 3.82Å; L371-L408 HydrophobicContact CD1-CD1 4.5Å
372	F	98.9	Very high	98.1	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	114.5	174.5	-74.3	-88.9	0	0	0	110.3	V259 W344 Y350 I370 N377 L381 F400 L405 C406 S407 L408	V259-F372 HydrophobicContact CB-CD1 3.67Å; V259-F372 HydrophobicContact CB-CE1 3.94Å; V259-F372 HydrophobicContact CB-CG 4.36Å; V259-F372 HydrophobicContact CG1-CD1 3.99Å; V259-F372 HydrophobicContact CG1-CE1 4.14Å; V259-F372 HydrophobicContact CG2-CD1 3.8Å; V259-F372 HydrophobicContact CG2-CE1 3.57Å; V259-F372 HydrophobicContact CG2-CG 4.47Å; V259-F372 HydrophobicContact CG2-CZ 4.05Å; W344-F372 HydrophobicContact CH2-CE1 4.16Å; W344-F372 HydrophobicContact CZ3-CE1 4.12Å; Y350-F372 HydrophobicContact CD2-CD1 4.37Å; Y350-F372 AromaticContact CD2-CE1 3.85Å; Y350-F372 HydrophobicContact CD2-CE1 3.85Å; Y350-F372 HydrophobicContact CD2-CZ 4.49Å; Y350-F372 AromaticContact CE2-CD1 3.75Å; Y350-F372 HydrophobicContact CE2-CD1 3.75Å; Y350-F372 AromaticContact CE2-CE1 3.48Å; Y350-F372 HydrophobicContact CE2-CE1 3.48Å; Y350-F372 VanDerWaalsContact CE2-CE1 3.48Å; I370-F372 HydrophobicContact CB-CD2 4.48Å; I370-F372 HydrophobicContact CB-CE2 3.96Å; I370-F372 HydrophobicContact CG2-CD2 3.89Å; I370-F372 HydrophobicContact CG2-CE2 3.38Å; I370-F372 HydrophobicContact CG2-CZ 3.78Å; F372-N377 HydrophobicContact CB-CB 4.11Å; F372-N377 HydrophobicContact CD1-CB 4.16Å; F372-L381 HydrophobicContact CB-CD1 3.89Å; F372-L381 HydrophobicContact CD1-CD1 4.31Å; F372-L381 HydrophobicContact CD1-CD2 4.5Å; F372-L381 HydrophobicContact CD2-CD1 4.11Å; F372-L381 HydrophobicContact CD2-CD2 4.28Å; F372-L381 HydrophobicContact CE1-CD2 4.37Å; F372-L381 HydrophobicContact CE2-CD2 4.16Å; F372-L381 HydrophobicContact CG-CD1 3.85Å; F372-L381 HydrophobicContact CG-CD2 4.45Å; F372-L381 HydrophobicContact CG-CG 4.47Å; F372-L381 HydrophobicContact CZ-CD2 4.22Å; F372-F400 HydrophobicContact CE1-CE1 4.45Å; F372-F400 HydrophobicContact CE2-CE1 4.09Å; F372-F400 AromaticContact CZ-CE1 3.63Å; F372-F400 HydrophobicContact CZ-CE1 3.63Å; F372-F400 AromaticContact CZ-CZ 3.9Å; F372-F400 HydrophobicContact CZ-CZ 3.9Å; F372-L405 HydrophobicContact CD2-CB 4.24Å; F372-L405 HydrophobicContact CE2-CB 4Å; F372-L405 HydrophobicContact CE2-CD2 4.23Å; F372-C406 PolarHBondContact N-O 2.87Å; F372-S407 WeakPolarHBondContact O-CA 3.25Å; F372-L408 PolarHBondContact O-N 3.22Å
373	K	98.9	Very high	98.1	Very high	1 Å²	1	13.6 Å²	13.6	0%	0.004	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	139.2	-178.9	-61.7	-56.7	-48.3	-54.6	0	112.2	S194 I258 V259 D261 E266 D270 N377 L408	S194-K373 WeakPolarHBondContact O-CE 3.48Å; S194-K373 PolarHBondContact O-NZ 3.45Å; S194-K373 WeakPolarHBondContact OG-CE 3.44Å; S194-K373 PolarHBondContact OG-NZ 3.01Å; I258-K373 HydrophobicContact CG2-CG 4.1Å; V259-K373 WeakPolarHBondContact O-CB 3.34Å; V259-K373 PolarHBondContact O-N 3.33Å; D261-K373 HydrophobicContact CB-CB 3.8Å; E266-K373 IonicContact OE1-NZ 3.68Å; E266-K373 PolarHBondContact OE1-NZ 2.8Å; D270-K373 VanDerWaalsContact CG-NZ 3.3Å; D270-K373 WeakPolarHBondContact OD1-CD 3.38Å; D270-K373 WeakPolarHBondContact OD1-CE 3.35Å; D270-K373 IonicContact OD1-NZ 2.84Å; D270-K373 PolarHBondContact OD1-NZ 2.81Å; D270-K373 IonicContact OD2-NZ 3.96Å; D270-K373 PolarHBondContact OD2-NZ 2.91Å; D270-K373 VanDerWaalsContact OD2-NZ 3.1Å; K373-N377 VanDerWaalsContact O-CB 3.31Å; K373-N377 WeakPolarHBondContact O-CB 3.39Å; K373-N377 PolarHBondContact O-ND2 2.96Å; K373-L408 HydrophobicContact CD-CB 4.13Å; K373-L408 HydrophobicContact CD-CD1 3.95Å
374	G	98.1	Very high	98.1	Very high	2 Å²	2	11.1 Å²	11.1	2%	0.021	7%	0.067	C	C	.	.	H	α-helix	trans	79.4	177.8	161.6	0	0	0	0	0	116.5	D261 Y378 L408	D261-G374 WeakPolarHBondContact OD2-CA 3.42Å; G374-Y378 PolarHBondContact O-N 2.91Å; G374-L408 PolarHBondContact N-O 3.41Å
375	D	98.4	Very high	98.1	Very high	14 Å²	14	13.1 Å²	13.1	8%	0.075	8%	0.075	C	C	.	.	H	α-helix	trans	-75.5	-40.7	-168.1	-170.3	77.9	0	0	0	113	N377 Y378 R379 R409 K412 A413	D375-N377 PolarHBondContact O-N 3.09Å; D375-Y378 PolarHBondContact O-N 3.08Å; D375-R379 VanDerWaalsContact O-CG 3.31Å; D375-R379 WeakPolarHBondContact O-CG 3.42Å; D375-R379 PolarHBondContact O-N 3.24Å; D375-R379 VanDerWaalsContact OD2-CD 3.23Å; D375-R379 WeakPolarHBondContact OD2-CD 3.12Å; D375-R409 IonicContact OD1-CZ 2.63Å; D375-R409 IonicContact OD1-NE 3.55Å; D375-R409 PolarHBondContact OD1-NE 2.79Å; D375-R409 IonicContact OD1-NH2 3.48Å; D375-R409 PolarHBondContact OD1-NH2 2.83Å; D375-K412 HydrophobicContact CB-CB 3.93Å; D375-K412 HydrophobicContact CB-CD 4.48Å; D375-K412 HydrophobicContact CB-CG 4.42Å; D375-K412 PolarHBondContact OD1-N 3.14Å; D375-A413 PolarHBondContact OD1-N 3.06Å; D375-A413 VanDerWaalsContact OD2-CB 3.25Å; D375-A413 WeakPolarHBondContact OD2-CB 3.21Å
376	L	98.6	Very high	98	Very high	11 Å²	11	12.3 Å²	12.3	6%	0.058	7%	0.071	C	C	.	.	H	α-helix	trans	-63.8	-41.9	179.9	-180	61.6	0	0	0	111.7	L120 F296 Y378 R379 K380	L120-L376 HydrophobicContact CD1-CD1 3.71Å; F296-L376 HydrophobicContact CB-CD2 4.46Å; F296-L376 HydrophobicContact CD1-CD2 4.03Å; F296-L376 HydrophobicContact CD2-CD2 3.67Å; F296-L376 HydrophobicContact CE1-CD1 4.04Å; F296-L376 HydrophobicContact CE1-CD2 4.12Å; F296-L376 HydrophobicContact CE2-CD1 4.39Å; F296-L376 HydrophobicContact CE2-CD2 3.75Å; F296-L376 HydrophobicContact CG-CD2 3.79Å; F296-L376 HydrophobicContact CZ-CD1 3.87Å; F296-L376 HydrophobicContact CZ-CD2 3.96Å; L376-Y378 VanDerWaalsContact C-N 3.33Å; L376-Y378 PolarHBondContact O-N 3.28Å; L376-R379 PolarHBondContact O-N 3.06Å; L376-K380 PolarHBondContact O-N 2.94Å
377	N	98.9	Very high	98.2	Very high	2 Å²	2	11.2 Å²	11.2	1%	0.011	5%	0.054	C	C	.	.	H	α-helix	trans	-61	-42.7	174.5	-80.5	-50.8	0	0	0	111.3	V259 L260 Y350 F372 K373 D375 R379 K380 L381	V259-N377 WeakPolarHBondContact CG1-OD1 3.47Å; V259-N377 PolarHBondContact O-ND2 3.41Å; L260-N377 PolarHBondContact O-ND2 2.87Å; Y350-N377 HydrophobicContact CE2-CB 4.5Å; Y350-N377 PolarHBondContact OH-OD1 3.34Å; F372-N377 HydrophobicContact CB-CB 4.11Å; F372-N377 HydrophobicContact CD1-CB 4.16Å; K373-N377 VanDerWaalsContact O-CB 3.31Å; K373-N377 WeakPolarHBondContact O-CB 3.39Å; K373-N377 PolarHBondContact O-ND2 2.96Å; D375-N377 PolarHBondContact O-N 3.09Å; N377-R379 PolarHBondContact O-N 3.48Å; N377-K380 PolarHBondContact O-N 3.27Å; N377-L381 WeakPolarHBondContact O-CB 3.14Å; N377-L381 VanDerWaalsContact O-CG 3.28Å; N377-L381 WeakPolarHBondContact O-CG 3.42Å; N377-L381 PolarHBondContact O-N 3.31Å
378	Y	98.9	Very high	98.1	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.8	-41.9	176.2	-168.5	-83	0	0	0	112.7	G374 D375 L376 K380 L381 T382 F393 S407 R409 I415 Q416 V417 V442 Q444	G374-Y378 PolarHBondContact O-N 2.91Å; D375-Y378 PolarHBondContact O-N 3.08Å; L376-Y378 VanDerWaalsContact C-N 3.33Å; L376-Y378 PolarHBondContact O-N 3.28Å; Y378-K380 VanDerWaalsContact C-N 3.35Å; Y378-K380 PolarHBondContact O-N 3.42Å; Y378-L381 PolarHBondContact O-N 2.95Å; Y378-T382 HydrophobicContact CD1-CG2 4.08Å; Y378-T382 HydrophobicContact CE1-CG2 3.69Å; Y378-T382 PolarHBondContact O-N 3.09Å; Y378-T382 PolarHBondContact O-OG1 2.94Å; Y378-F393 AromaticContact CE2-CE2 3.92Å; Y378-F393 HydrophobicContact CE2-CE2 3.92Å; Y378-F393 HydrophobicContact CE2-CZ 4.48Å; Y378-S407 WeakPolarHBondContact CD2-OG 3.35Å; Y378-R409 HydrophobicContact CD2-CB 4.15Å; Y378-R409 HydrophobicContact CD2-CG 4.19Å; Y378-R409 HydrophobicContact CG-CB 4.47Å; Y378-R409 HydrophobicContact CG-CG 4.03Å; Y378-I415 HydrophobicContact CE1-CG1 4.32Å; Y378-Q416 PolarHBondContact OH-NE2 3.24Å; Y378-Q416 VanDerWaalsContact OH-NE2 3.16Å; Y378-V417 VanDerWaalsContact OH-CG2 3.23Å; Y378-V417 WeakPolarHBondContact OH-CG2 3.37Å; Y378-V417 PolarHBondContact OH-N 3.46Å; Y378-V442 HydrophobicContact CE2-CG2 4.11Å; Y378-Q444 PolarHBondContact OH-OE1 3.49Å
379	R	98.8	Very high	98.2	Very high	7 Å²	7	15.8 Å²	15.8	3%	0.026	8%	0.076	C	C	.	.	H	α-helix	trans	-60.9	-44	174.5	-69.3	168.7	63	-155.8	-3.9	111.1	W119 E123 D375 L376 N377 T382 G383 D384 A413 I415	W119-R379 VanDerWaalsContact CD2-NH2 3.34Å; E123-R379 IonicContact OE2-CZ 2.97Å; E123-R379 IonicContact OE2-NH1 3.7Å; E123-R379 PolarHBondContact OE2-NH1 3.07Å; E123-R379 IonicContact OE2-NH2 3.62Å; E123-R379 PolarHBondContact OE2-NH2 2.92Å; D375-R379 VanDerWaalsContact O-CG 3.31Å; D375-R379 WeakPolarHBondContact O-CG 3.42Å; D375-R379 PolarHBondContact O-N 3.24Å; D375-R379 VanDerWaalsContact OD2-CD 3.23Å; D375-R379 WeakPolarHBondContact OD2-CD 3.12Å; L376-R379 PolarHBondContact O-N 3.06Å; N377-R379 PolarHBondContact O-N 3.48Å; R379-T382 CarbonylContact O-C 3.54Å; R379-T382 PolarHBondContact O-N 3.35Å; R379-T382 PolarHBondContact O-OG1 3.1Å; R379-G383 CarbonylContact O-C 3.05Å; R379-G383 WeakPolarHBondContact O-CA 3.31Å; R379-G383 PolarHBondContact O-N 2.95Å; R379-D384 HydrophobicContact CB-CB 4.28Å; R379-D384 WeakPolarHBondContact CG-OD1 3.46Å; R379-D384 IonicContact CZ-OD1 2.76Å; R379-D384 IonicContact CZ-OD2 3.3Å; R379-D384 IonicContact NE-OD1 3.97Å; R379-D384 PolarHBondContact NE-OD1 2.98Å; R379-D384 IonicContact NE-OD2 2.88Å; R379-D384 IonicContact NH2-OD1 2.66Å; R379-D384 IonicContact NH2-OD2 3.01Å; R379-D384 PolarHBondContact NH2-OD2 2.95Å; R379-D384 PolarHBondContact O-N 3.26Å; R379-A413 HydrophobicContact CG-CB 4.04Å; R379-I415 HydrophobicContact CG-CG2 3.91Å
380	K	98.9	Very high	98.1	Very high	1 Å²	1	19.8 Å²	19.8	0%	0.004	10%	0.096	C	C	.	.	H	α-helix	trans	-67.7	-36.1	175.8	-72.8	-166.5	171.9	-171.6	0	113.5	L120 W344 M346 Y350 L376 N377 Y378 T382	L120-K380 HydrophobicContact CD1-CG 3.93Å; L120-K380 HydrophobicContact CD2-CG 4.1Å; W344-K380 PolarHBondContact O-NZ 2.87Å; M346-K380 WeakPolarHBondContact O-CE 3.37Å; M346-K380 PolarHBondContact O-NZ 2.8Å; Y350-K380 HydrophobicContact CD1-CB 3.68Å; Y350-K380 HydrophobicContact CD1-CD 4.02Å; Y350-K380 HydrophobicContact CD1-CG 4.46Å; Y350-K380 HydrophobicContact CD2-CB 3.92Å; Y350-K380 HydrophobicContact CE1-CB 3.57Å; Y350-K380 HydrophobicContact CE1-CD 3.3Å; Y350-K380 HydrophobicContact CE1-CG 4.08Å; Y350-K380 HydrophobicContact CE2-CB 3.75Å; Y350-K380 HydrophobicContact CG-CB 3.87Å; Y350-K380 PolarHBondContact N-O 2.98Å; L376-K380 PolarHBondContact O-N 2.94Å; N377-K380 PolarHBondContact O-N 3.27Å; Y378-K380 VanDerWaalsContact C-N 3.35Å; Y378-K380 PolarHBondContact O-N 3.42Å; K380-T382 VanDerWaalsContact C-N 3.33Å
381	L	98.8	Very high	98.1	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-60.8	-42.1	173	-76.7	167.2	0	0	0	111.7	Y350 F372 N377 Y378 F393 L397 F400	Y350-L381 HydrophobicContact CD2-CB 4.47Å; Y350-L381 HydrophobicContact CD2-CD2 3.69Å; Y350-L381 HydrophobicContact CD2-CG 3.74Å; Y350-L381 HydrophobicContact CE2-CD2 4.46Å; Y350-L381 HydrophobicContact CE2-CG 4.21Å; F372-L381 HydrophobicContact CB-CD1 3.89Å; F372-L381 HydrophobicContact CD1-CD1 4.31Å; F372-L381 HydrophobicContact CD1-CD2 4.5Å; F372-L381 HydrophobicContact CD2-CD1 4.11Å; F372-L381 HydrophobicContact CD2-CD2 4.28Å; F372-L381 HydrophobicContact CE1-CD2 4.37Å; F372-L381 HydrophobicContact CE2-CD2 4.16Å; F372-L381 HydrophobicContact CG-CD1 3.85Å; F372-L381 HydrophobicContact CG-CD2 4.45Å; F372-L381 HydrophobicContact CG-CG 4.47Å; F372-L381 HydrophobicContact CZ-CD2 4.22Å; N377-L381 WeakPolarHBondContact O-CB 3.14Å; N377-L381 VanDerWaalsContact O-CG 3.28Å; N377-L381 WeakPolarHBondContact O-CG 3.42Å; N377-L381 PolarHBondContact O-N 3.31Å; Y378-L381 PolarHBondContact O-N 2.95Å; L381-F393 HydrophobicContact CD1-CZ 4.32Å; L381-L397 HydrophobicContact CB-CD2 3.83Å; L381-L397 HydrophobicContact CD2-CD2 3.72Å; L381-L397 HydrophobicContact CG-CD2 4.29Å; L381-F400 HydrophobicContact CD2-CD1 3.54Å; L381-F400 HydrophobicContact CD2-CE1 3.57Å
382	T	98.6	Very high	98	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-96.4	1	-175.5	57.3	0	0	0	0	113.9	Y378 R379 K380 D384 W387 F393 A396 V417	Y378-T382 HydrophobicContact CD1-CG2 4.08Å; Y378-T382 HydrophobicContact CE1-CG2 3.69Å; Y378-T382 PolarHBondContact O-N 3.09Å; Y378-T382 PolarHBondContact O-OG1 2.94Å; R379-T382 CarbonylContact O-C 3.54Å; R379-T382 PolarHBondContact O-N 3.35Å; R379-T382 PolarHBondContact O-OG1 3.1Å; K380-T382 VanDerWaalsContact C-N 3.33Å; T382-D384 VanDerWaalsContact C-N 3.29Å; T382-D384 PolarHBondContact O-N 2.76Å; T382-W387 PolarHBondContact O-NE1 2.98Å; T382-F393 HydrophobicContact CG2-CD2 4.5Å; T382-F393 HydrophobicContact CG2-CE2 4.17Å; T382-A396 HydrophobicContact CG2-CB 3.99Å; T382-V417 HydrophobicContact CG2-CG2 4.24Å
383	G	98.1	Very high	98	Very high	3 Å²	3	24.6 Å²	24.6	3%	0.031	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	13.4	-179.2	0	0	0	0	0	115.5	R379 R385	R379-G383 CarbonylContact O-C 3.05Å; R379-G383 WeakPolarHBondContact O-CA 3.31Å; R379-G383 PolarHBondContact O-N 2.95Å; G383-R385 VanDerWaalsContact C-N 3.31Å; G383-R385 WeakPolarHBondContact O-CD 3.29Å; G383-R385 WeakPolarHBondContact O-CG 3.45Å; G383-R385 PolarHBondContact O-N 3.4Å; G383-R385 PolarHBondContact O-NE 3.37Å
384	D	98.2	Very high	97.8	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	46.5	-179.3	-155	42.9	0	0	0	112	S14 L15 L120 R379 T382	S14-D384 WeakPolarHBondContact CA-O 3.33Å; L15-D384 PolarHBondContact N-O 2.98Å; L120-D384 HydrophobicContact CB-CB 3.85Å; L120-D384 WeakPolarHBondContact CB-OD2 3.39Å; L120-D384 HydrophobicContact CD2-CB 4.25Å; L120-D384 PolarHBondContact N-OD2 3.12Å; L120-D384 VanDerWaalsContact N-OD2 3.09Å; R379-D384 HydrophobicContact CB-CB 4.28Å; R379-D384 WeakPolarHBondContact CG-OD1 3.46Å; R379-D384 IonicContact CZ-OD1 2.76Å; R379-D384 IonicContact CZ-OD2 3.3Å; R379-D384 IonicContact NE-OD1 3.97Å; R379-D384 PolarHBondContact NE-OD1 2.98Å; R379-D384 IonicContact NE-OD2 2.88Å; R379-D384 IonicContact NH2-OD1 2.66Å; R379-D384 IonicContact NH2-OD2 3.01Å; R379-D384 PolarHBondContact NH2-OD2 2.95Å; R379-D384 PolarHBondContact O-N 3.26Å; T382-D384 VanDerWaalsContact C-N 3.29Å; T382-D384 PolarHBondContact O-N 2.76Å
385	R	97.1	Very high	97.7	Very high	42 Å²	42	35.2 Å²	35.2	16%	0.158	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-107.1	160.1	-173.4	-48.5	-55.4	-173.8	119.8	-8.3	112.8	V11 P12 P13 S14 E349 G383 W387 I415	V11-R385 HydrophobicContact CG1-CG 4.41Å; P12-R385 HydrophobicContact CB-CB 4.26Å; P12-R385 PolarHBondContact O-NH1 3.4Å; P12-R385 VanDerWaalsContact O-NH1 3.15Å; P13-R385 WeakPolarHBondContact O-CA 3.16Å; S14-R385 WeakPolarHBondContact OG-CD 3.42Å; S14-R385 VanDerWaalsContact OG-CZ 3.27Å; S14-R385 PolarHBondContact OG-NE 3.19Å; S14-R385 PolarHBondContact OG-NH1 3.22Å; E349-R385 IonicContact OE1-CZ 3.15Å; E349-R385 IonicContact OE1-NE 3.26Å; E349-R385 PolarHBondContact OE1-NE 3.48Å; E349-R385 IonicContact OE1-NH2 3.65Å; E349-R385 PolarHBondContact OE1-NH2 3.18Å; E349-R385 IonicContact OE2-NE 3.87Å; E349-R385 IonicContact OE2-NH2 3.54Å; E349-R385 PolarHBondContact OE2-NH2 3.38Å; G383-R385 VanDerWaalsContact C-N 3.31Å; G383-R385 WeakPolarHBondContact O-CD 3.29Å; G383-R385 WeakPolarHBondContact O-CG 3.45Å; G383-R385 PolarHBondContact O-N 3.4Å; G383-R385 PolarHBondContact O-NE 3.37Å; R385-W387 HydrophobicContact CB-CG 4.4Å; R385-W387 PolarHBondContact O-N 3.2Å; R385-I415 WeakPolarHBondContact O-CD1 3.45Å
386	E	96.4	Very high	97.7	Very high	93 Å²	93	34.5 Å²	34.5	44%	0.435	17%	0.167	S	C	.	.			trans	-76.3	58.1	174.3	-66.6	177.7	-175.4	0	0	112.2	P12 P13 L15	P12-E386 HydrophobicContact CB-CB 4.23Å; P12-E386 VanDerWaalsContact CB-O 3.25Å; P12-E386 WeakPolarHBondContact CB-O 3.43Å; P13-E386 HydrophobicContact CG-CB 4.37Å; P13-E386 HydrophobicContact CG-CG 4.46Å; P13-E386 WeakPolarHBondContact CG-OE2 3.46Å; P13-E386 PolarHBondContact O-N 3.35Å; L15-E386 HydrophobicContact CD2-CG 3.6Å; L15-E386 HydrophobicContact CG-CG 4.41Å
387	W	97.1	Very high	97.7	Very high	20 Å²	20	34.1 Å²	34.1	8%	0.076	17%	0.165	C	C	.	.			trans	-68	141.3	176.3	-66.2	108.1	0	0	0	112.1	L10 V11 P12 T382 R385 V391 A396 R398 I415 V417	L10-W387 WeakPolarHBondContact O-CZ3 3.07Å; V11-W387 HydrophobicContact CG1-CZ2 4.44Å; P12-W387 HydrophobicContact CG-CD2 3.81Å; P12-W387 HydrophobicContact CG-CE3 3.45Å; P12-W387 VanDerWaalsContact CG-CE3 3.45Å; P12-W387 HydrophobicContact CG-CG 4.36Å; P12-W387 HydrophobicContact CG-CZ3 3.84Å; T382-W387 PolarHBondContact O-NE1 2.98Å; R385-W387 HydrophobicContact CB-CG 4.4Å; R385-W387 PolarHBondContact O-N 3.2Å; W387-V391 HydrophobicContact CD2-CG1 4.38Å; W387-V391 HydrophobicContact CE3-CB 4.39Å; W387-V391 HydrophobicContact CE3-CG1 3.86Å; W387-V391 HydrophobicContact CE3-CG2 4.06Å; W387-V391 HydrophobicContact CZ3-CG1 4.27Å; W387-A396 HydrophobicContact CD2-CB 4.47Å; W387-R398 HydrophobicContact CH2-CG 4.37Å; W387-R398 HydrophobicContact CZ2-CG 4Å; W387-I415 HydrophobicContact CB-CD1 3.91Å; W387-I415 HydrophobicContact CG-CD1 4.19Å; W387-V417 HydrophobicContact CB-CG1 3.4Å; W387-V417 VanDerWaalsContact CB-CG1 3.4Å; W387-V417 HydrophobicContact CG-CG1 3.86Å
388	D	96.4	Very high	97.5	Very high	85 Å²	85	37.8 Å²	37.8	46%	0.455	18%	0.178	S	C	.	.			trans	-61.6	140.5	163.5	176.7	-80.9	0	0	0	110	M390 V391	D388-M390 PolarHBondContact O-N 3.35Å; D388-M390 VanDerWaalsContact O-N 3.15Å; D388-M390 WeakPolarHBondContact OD1-CB 3.48Å; D388-M390 PolarHBondContact OD1-N 3.38Å; D388-V391 HydrophobicContact CB-CG2 3.99Å; D388-V391 VanDerWaalsContact O-CB 3.31Å; D388-V391 WeakPolarHBondContact O-CB 3.38Å; D388-V391 WeakPolarHBondContact O-CG2 3.49Å; D388-V391 PolarHBondContact O-N 2.89Å
389	H	97.3	Very high	97.4	Very high	44 Å²	44	41.1 Å²	41.1	20%	0.204	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.7	-172.7	-67.8	-42.4	0	0	0	114.1	Q416 V417 G418 L419	H389-Q416 WeakPolarHBondContact CA-O 3.46Å; H389-Q416 PolarHBondContact ND1-O 3.1Å; H389-V417 CarbonylContact O-C 3.32Å; H389-V417 WeakPolarHBondContact O-CA 3.36Å; H389-G418 PolarHBondContact O-N 2.9Å; H389-L419 HydrophobicContact CB-CB 4.32Å; H389-L419 HydrophobicContact CB-CD1 4.15Å; H389-L419 HydrophobicContact CB-CG 4.41Å; H389-L419 PolarHBondContact O-N 3.24Å
390	M	96.6	Very high	97.3	Very high	86 Å²	86	41 Å²	41	42%	0.424	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-6.3	-179.7	-59.2	-179.2	-71.3	0	0	113.2	D388 P392 P421	D388-M390 PolarHBondContact O-N 3.35Å; D388-M390 VanDerWaalsContact O-N 3.15Å; D388-M390 WeakPolarHBondContact OD1-CB 3.48Å; D388-M390 PolarHBondContact OD1-N 3.38Å; M390-P392 WeakPolarHBondContact O-CD 3.4Å; M390-P421 HydrophobicContact SD-CB 3.8Å; M390-P421 HydrophobicContact SD-CG 3.92Å
391	V	97.7	Very high	97.2	Very high	20 Å²	20	41.9 Å²	41.9	12%	0.121	22%	0.221	C	C	.	.	S	Bend	trans	-55.7	128.1	177.5	169.2	0	0	0	0	109	W387 D388 R395 A396 V417 G418	W387-V391 HydrophobicContact CD2-CG1 4.38Å; W387-V391 HydrophobicContact CE3-CB 4.39Å; W387-V391 HydrophobicContact CE3-CG1 3.86Å; W387-V391 HydrophobicContact CE3-CG2 4.06Å; W387-V391 HydrophobicContact CZ3-CG1 4.27Å; D388-V391 HydrophobicContact CB-CG2 3.99Å; D388-V391 VanDerWaalsContact O-CB 3.31Å; D388-V391 WeakPolarHBondContact O-CB 3.38Å; D388-V391 WeakPolarHBondContact O-CG2 3.49Å; D388-V391 PolarHBondContact O-N 2.89Å; V391-R395 HydrophobicContact CG1-CB 4.05Å; V391-R395 HydrophobicContact CG1-CG 4.17Å; V391-A396 HydrophobicContact CG1-CB 4.39Å; V391-V417 HydrophobicContact CB-CG1 4.38Å; V391-V417 WeakPolarHBondContact O-CB 3.31Å; V391-G418 WeakPolarHBondContact O-CA 3.45Å; V391-G418 PolarHBondContact O-N 3.06Å
392	P	97.2	Very high	97.1	Very high	70 Å²	70	42.3 Å²	42.3	46%	0.455	22%	0.224	S	C	.	.			trans	-60.6	143.5	177.9	-25.7	35	0	0	0	111.8	M390 D394 R395 A396	M390-P392 WeakPolarHBondContact O-CD 3.4Å; P392-D394 VanDerWaalsContact C-N 3.3Å; P392-D394 PolarHBondContact O-N 3.15Å; P392-R395 WeakPolarHBondContact O-CB 3.45Å; P392-R395 PolarHBondContact O-N 3.42Å; P392-A396 PolarHBondContact O-N 2.91Å; P392-A396 VanDerWaalsContact O-N 3.17Å
393	F	98.1	Very high	97.1	Very high	12 Å²	12	42.5 Å²	42.5	5%	0.053	23%	0.226	C	C	.	.	H	α-helix	trans	-55.7	-45	-178.8	-173.6	-135.6	0	0	0	112	Y378 L381 T382 R395 A396 L397 L405 V417 Q444	Y378-F393 AromaticContact CE2-CE2 3.92Å; Y378-F393 HydrophobicContact CE2-CE2 3.92Å; Y378-F393 HydrophobicContact CE2-CZ 4.48Å; L381-F393 HydrophobicContact CD1-CZ 4.32Å; T382-F393 HydrophobicContact CG2-CD2 4.5Å; T382-F393 HydrophobicContact CG2-CE2 4.17Å; F393-R395 PolarHBondContact O-N 3.42Å; F393-R395 VanDerWaalsContact O-N 3.16Å; F393-A396 WeakPolarHBondContact O-CA 3.2Å; F393-A396 WeakPolarHBondContact O-CB 3.11Å; F393-A396 PolarHBondContact O-N 2.87Å; F393-L397 HydrophobicContact CD1-CD1 4.35Å; F393-L397 HydrophobicContact CD2-CG 4.49Å; F393-L397 HydrophobicContact CE1-CD1 4.24Å; F393-L397 HydrophobicContact CE1-CD2 4.37Å; F393-L397 HydrophobicContact CE2-CD2 3.94Å; F393-L397 HydrophobicContact CE2-CG 4.34Å; F393-L397 HydrophobicContact CZ-CD2 3.84Å; F393-L397 HydrophobicContact CZ-CG 4.36Å; F393-L397 WeakPolarHBondContact O-CG 3.3Å; F393-L397 PolarHBondContact O-N 3.42Å; F393-L405 HydrophobicContact CE1-CD1 3.82Å; F393-L405 HydrophobicContact CZ-CD1 4.21Å; F393-V417 HydrophobicContact CD2-CG2 3.9Å; F393-Q444 HydrophobicContact CB-CG 4.02Å; F393-Q444 HydrophobicContact CD1-CB 4.4Å; F393-Q444 HydrophobicContact CD1-CG 3.65Å; F393-Q444 HydrophobicContact CD2-CG 4.23Å; F393-Q444 HydrophobicContact CE1-CB 4.38Å; F393-Q444 HydrophobicContact CE1-CG 4.11Å; F393-Q444 HydrophobicContact CG-CG 3.71Å
394	D	95.7	Very high	97	Very high	78 Å²	78	43.4 Å²	43.4	42%	0.417	23%	0.231	S	C	.	.	H	α-helix	trans	-54.4	-36.5	176.2	-63.3	-19.6	0	0	0	113.5	P392 S446	P392-D394 VanDerWaalsContact C-N 3.3Å; P392-D394 PolarHBondContact O-N 3.15Å; D394-S446 WeakPolarHBondContact OD1-CB 3.11Å; D394-S446 PolarHBondContact OD1-OG 3.45Å
395	R	96.1	Very high	97.1	Very high	148 Å²	148	43.3 Å²	43.3	56%	0.558	23%	0.231	S	C	*	.	H	α-helix	trans	-71.3	-41	176.4	-177.7	178	-71.9	-178.5	-1.6	110.9	V391 P392 F393 L397 R398	V391-R395 HydrophobicContact CG1-CB 4.05Å; V391-R395 HydrophobicContact CG1-CG 4.17Å; P392-R395 WeakPolarHBondContact O-CB 3.45Å; P392-R395 PolarHBondContact O-N 3.42Å; F393-R395 PolarHBondContact O-N 3.42Å; F393-R395 VanDerWaalsContact O-N 3.16Å; R395-L397 VanDerWaalsContact C-N 3.27Å; R395-L397 PolarHBondContact O-N 3.25Å; R395-R398 PolarHBondContact O-N 2.75Å; R395-R398 VanDerWaalsContact O-N 3.16Å
396	A	97.9	Very high	97.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-67.8	-27.1	178.8	0	0	0	0	0	112.8	T382 W387 V391 P392 F393 R398 V417	T382-A396 HydrophobicContact CG2-CB 3.99Å; W387-A396 HydrophobicContact CD2-CB 4.47Å; V391-A396 HydrophobicContact CG1-CB 4.39Å; P392-A396 PolarHBondContact O-N 2.91Å; P392-A396 VanDerWaalsContact O-N 3.17Å; F393-A396 WeakPolarHBondContact O-CA 3.2Å; F393-A396 WeakPolarHBondContact O-CB 3.11Å; F393-A396 PolarHBondContact O-N 2.87Å; A396-R398 PolarHBondContact O-N 3.43Å; A396-V417 HydrophobicContact CB-CB 4.36Å; A396-V417 HydrophobicContact CB-CG1 4.11Å; A396-V417 HydrophobicContact CB-CG2 3.81Å
397	L	98.1	Very high	97.3	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.016	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-17.5	172.6	-67.6	177.8	0	0	0	113.6	L381 F393 R395 G399 F400 L405 S446	L381-L397 HydrophobicContact CB-CD2 3.83Å; L381-L397 HydrophobicContact CD2-CD2 3.72Å; L381-L397 HydrophobicContact CG-CD2 4.29Å; F393-L397 HydrophobicContact CD1-CD1 4.35Å; F393-L397 HydrophobicContact CD2-CG 4.49Å; F393-L397 HydrophobicContact CE1-CD1 4.24Å; F393-L397 HydrophobicContact CE1-CD2 4.37Å; F393-L397 HydrophobicContact CE2-CD2 3.94Å; F393-L397 HydrophobicContact CE2-CG 4.34Å; F393-L397 HydrophobicContact CZ-CD2 3.84Å; F393-L397 HydrophobicContact CZ-CG 4.36Å; F393-L397 WeakPolarHBondContact O-CG 3.3Å; F393-L397 PolarHBondContact O-N 3.42Å; R395-L397 VanDerWaalsContact C-N 3.27Å; R395-L397 PolarHBondContact O-N 3.25Å; L397-G399 PolarHBondContact O-N 3Å; L397-G399 VanDerWaalsContact O-N 3.14Å; L397-F400 VanDerWaalsContact O-CB 3.28Å; L397-F400 WeakPolarHBondContact O-CB 3.4Å; L397-F400 PolarHBondContact O-N 3.43Å; L397-L405 HydrophobicContact CD1-CD1 4.15Å; L397-L405 HydrophobicContact CD1-CD2 4.35Å; L397-S446 WeakPolarHBondContact CD1-OG 3.48Å
398	R	96.6	Very high	97.3	Very high	79 Å²	79	36 Å²	36	30%	0.298	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	41.1	173.7	-68.8	174.4	54.7	-159.2	-12.8	113.8	E349 C351 W387 R395 A396	E349-R398 IonicContact OE2-CZ 3.74Å; E349-R398 IonicContact OE2-NH1 3.49Å; E349-R398 PolarHBondContact OE2-NH1 3.27Å; E349-R398 IonicContact OE2-NH2 2.96Å; C351-R398 HydrophobicContact CB-CB 3.85Å; W387-R398 HydrophobicContact CH2-CG 4.37Å; W387-R398 HydrophobicContact CZ2-CG 4Å; R395-R398 PolarHBondContact O-N 2.75Å; R395-R398 VanDerWaalsContact O-N 3.16Å; A396-R398 PolarHBondContact O-N 3.43Å
399	G	95.2	Very high	97.4	Very high	70 Å²	70	32 Å²	32	72%	0.722	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	88	-1.2	179	0	0	0	0	0	114.8	L397 G401	L397-G399 PolarHBondContact O-N 3Å; L397-G399 VanDerWaalsContact O-N 3.14Å; G399-G401 PolarHBondContact O-N 3.41Å; G399-G401 VanDerWaalsContact O-N 3.15Å
400	F	97.8	Very high	97.5	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.018	17%	0.17	C	C	.	.			trans	-73.1	102.8	168.4	-174.2	-104.3	0	0	0	110.4	Y350 C351 M353 Y361 L364 F372 L381 L397 P402 L405	Y350-F400 HydrophobicContact CD2-CE1 4.31Å; Y350-F400 HydrophobicContact CD2-CZ 4.5Å; Y350-F400 HydrophobicContact CG-CZ 4.49Å; Y350-F400 WeakPolarHBondContact O-CD2 3.19Å; C351-F400 HydrophobicContact CB-CB 4.5Å; M353-F400 HydrophobicContact CB-CD2 4.47Å; M353-F400 HydrophobicContact CB-CE2 4.12Å; M353-F400 HydrophobicContact CE-CE2 3.8Å; M353-F400 HydrophobicContact CE-CZ 3.97Å; M353-F400 HydrophobicContact SD-CE2 3.78Å; M353-F400 HydrophobicContact SD-CZ 4.31Å; Y361-F400 HydrophobicContact CD2-CD2 4.28Å; Y361-F400 HydrophobicContact CD2-CE2 4.02Å; Y361-F400 AromaticContact CE2-CD2 3.79Å; Y361-F400 HydrophobicContact CE2-CD2 3.79Å; Y361-F400 AromaticContact CE2-CE2 3.89Å; Y361-F400 HydrophobicContact CE2-CE2 3.89Å; L364-F400 HydrophobicContact CD1-CZ 4.26Å; F372-F400 HydrophobicContact CE1-CE1 4.45Å; F372-F400 HydrophobicContact CE2-CE1 4.09Å; F372-F400 AromaticContact CZ-CE1 3.63Å; F372-F400 HydrophobicContact CZ-CE1 3.63Å; F372-F400 AromaticContact CZ-CZ 3.9Å; F372-F400 HydrophobicContact CZ-CZ 3.9Å; L381-F400 HydrophobicContact CD2-CD1 3.54Å; L381-F400 HydrophobicContact CD2-CE1 3.57Å; L397-F400 VanDerWaalsContact O-CB 3.28Å; L397-F400 WeakPolarHBondContact O-CB 3.4Å; L397-F400 PolarHBondContact O-N 3.43Å; F400-P402 HydrophobicContact CE1-CG 4.31Å; F400-P402 HydrophobicContact CE2-CG 4.08Å; F400-P402 HydrophobicContact CZ-CG 3.86Å; F400-L405 HydrophobicContact CD1-CD2 4.04Å; F400-L405 HydrophobicContact CE1-CD2 4.03Å
401	G	96.5	Very high	97.5	Very high	19 Å²	19	26 Å²	26	20%	0.196	15%	0.15	C	C	.	.			trans	-156.8	63	177.4	0	0	0	0	0	111.3	G399 A403	G399-G401 PolarHBondContact O-N 3.41Å; G399-G401 VanDerWaalsContact O-N 3.15Å; G401-A403 VanDerWaalsContact C-N 3.26Å; G401-A403 PolarHBondContact O-N 3.3Å
402	P	97.2	Very high	97.4	Very high	11 Å²	11	28 Å²	28	7%	0.071	16%	0.156	C	C	.	.	S	Bend	trans	-63.7	-33.5	-177.7	25.1	-32.9	0	0	0	112.3	Y361 L364 Q365 I370 F400	Y361-P402 HydrophobicContact CD2-CB 4.21Å; Y361-P402 HydrophobicContact CE1-CB 4.16Å; Y361-P402 HydrophobicContact CE2-CB 3.82Å; Y361-P402 HydrophobicContact CE2-CG 4.11Å; L364-P402 HydrophobicContact CB-CB 3.87Å; L364-P402 HydrophobicContact CB-CG 3.9Å; L364-P402 HydrophobicContact CD1-CG 4.33Å; Q365-P402 WeakPolarHBondContact CA-O 3.16Å; Q365-P402 HydrophobicContact CG-CB 3.83Å; Q365-P402 WeakPolarHBondContact CG-O 3.34Å; I370-P402 HydrophobicContact CD1-CG 3.82Å; F400-P402 HydrophobicContact CE1-CG 4.31Å; F400-P402 HydrophobicContact CE2-CG 4.08Å; F400-P402 HydrophobicContact CZ-CG 3.86Å
403	A	97.2	Very high	97.3	Very high	4 Å²	4	24.7 Å²	24.7	3%	0.033	14%	0.135	C	C	.	.	S	Bend	trans	-154.4	172.8	178.9	0	0	0	0	0	108.9	A367 I370 G401 L405	A367-A403 HydrophobicContact CB-CB 4.1Å; A367-A403 VanDerWaalsContact O-CB 3.26Å; A367-A403 WeakPolarHBondContact O-CB 3.33Å; I370-A403 HydrophobicContact CD1-CB 3.89Å; I370-A403 HydrophobicContact CG1-CB 4.14Å; G401-A403 VanDerWaalsContact C-N 3.26Å; G401-A403 PolarHBondContact O-N 3.3Å; A403-L405 PolarHBondContact O-N 2.98Å
404	P	97.8	Very high	97.1	Very high	22 Å²	22	26.6 Å²	26.6	14%	0.143	15%	0.146	C	C	.	.			trans	-51.3	131	166.6	-24.5	34.9	0	0	0	110.5	L369 I370 F445	L369-P404 CarbonylContact C-O 3.52Å; L369-P404 WeakPolarHBondContact CA-O 3.45Å; I370-P404 PolarHBondContact N-O 2.97Å; P404-F445 HydrophobicContact CB-CE2 4.07Å; P404-F445 HydrophobicContact CB-CZ 3.98Å
405	L	98.6	Very high	97.2	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	151.4	-175.1	65.9	83.3	0	0	0	111.8	I370 F372 F393 L397 F400 A403 F445 S446	I370-L405 HydrophobicContact CB-CB 4.16Å; I370-L405 CarbonylContact O-C 3.1Å; I370-L405 WeakPolarHBondContact O-CA 3.36Å; F372-L405 HydrophobicContact CD2-CB 4.24Å; F372-L405 HydrophobicContact CE2-CB 4Å; F372-L405 HydrophobicContact CE2-CD2 4.23Å; F393-L405 HydrophobicContact CE1-CD1 3.82Å; F393-L405 HydrophobicContact CZ-CD1 4.21Å; L397-L405 HydrophobicContact CD1-CD1 4.15Å; L397-L405 HydrophobicContact CD1-CD2 4.35Å; F400-L405 HydrophobicContact CD1-CD2 4.04Å; F400-L405 HydrophobicContact CE1-CD2 4.03Å; A403-L405 PolarHBondContact O-N 2.98Å; L405-F445 WeakPolarHBondContact O-CA 3.32Å; L405-F445 WeakPolarHBondContact O-CD2 3.35Å; L405-S446 PolarHBondContact N-O 3.47Å; L405-S446 PolarHBondContact O-N 3.23Å; L405-S446 VanDerWaalsContact O-O 3.07Å
406	C	98.8	Very high	97.3	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	134.1	172.9	-174.6	0	0	0	0	109.4	V235 I370 L371 F372 Q444 F445	V235-C406 HydrophobicContact CG2-CB 3.86Å; V235-C406 VanDerWaalsContact CG2-SG 3.55Å; I370-C406 PolarHBondContact O-N 3.16Å; L371-C406 CarbonylContact C-O 3.58Å; L371-C406 WeakPolarHBondContact CA-O 3.37Å; L371-C406 HydrophobicContact CD2-CB 3.82Å; F372-C406 PolarHBondContact N-O 2.87Å; C406-Q444 CarbonylContact C-O 3.47Å; C406-Q444 WeakPolarHBondContact CA-O 3.46Å; C406-F445 HydrophobicContact CB-CD2 4.2Å
407	S	98.8	Very high	97.3	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	126.9	166.5	-168.9	0	0	0	0	110.6	F372 Y378 V443 Q444	F372-S407 WeakPolarHBondContact O-CA 3.25Å; Y378-S407 WeakPolarHBondContact CD2-OG 3.35Å; S407-V443 WeakPolarHBondContact O-CA 3.35Å; S407-Q444 PolarHBondContact N-O 3.28Å; S407-Q444 PolarHBondContact O-N 3.2Å
408	L	98.8	Very high	97.3	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	95.1	173.1	-56.8	-178.9	0	0	0	107.7	L191 L195 L371 F372 K373 G374 V443	L191-L408 HydrophobicContact CD1-CD1 3.64Å; L191-L408 HydrophobicContact CD1-CD2 3.92Å; L191-L408 HydrophobicContact CD1-CG 4.41Å; L191-L408 HydrophobicContact CD2-CD2 4.42Å; L191-L408 HydrophobicContact CG-CD1 4.38Å; L191-L408 HydrophobicContact CG-CD2 4.05Å; L195-L408 VanDerWaalsContact CD1-C 3.42Å; L195-L408 HydrophobicContact CD1-CB 3.94Å; L371-L408 HydrophobicContact CD1-CD1 4.5Å; F372-L408 PolarHBondContact O-N 3.22Å; K373-L408 HydrophobicContact CD-CB 4.13Å; K373-L408 HydrophobicContact CD-CD1 3.95Å; G374-L408 PolarHBondContact N-O 3.41Å; L408-V443 HydrophobicContact CD2-CB 4.28Å; L408-V443 HydrophobicContact CD2-CG1 3.83Å; L408-V443 HydrophobicContact CD2-CG2 3.97Å
409	R	98.4	Very high	97.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	126.4	-164.9	-175.6	-127.5	-176.5	168.3	-1.6	112.2	D375 Y378 A413 I415 Q416 A441 V442	D375-R409 IonicContact OD1-CZ 2.63Å; D375-R409 IonicContact OD1-NE 3.55Å; D375-R409 PolarHBondContact OD1-NE 2.79Å; D375-R409 IonicContact OD1-NH2 3.48Å; D375-R409 PolarHBondContact OD1-NH2 2.83Å; Y378-R409 HydrophobicContact CD2-CB 4.15Å; Y378-R409 HydrophobicContact CD2-CG 4.19Å; Y378-R409 HydrophobicContact CG-CB 4.47Å; Y378-R409 HydrophobicContact CG-CG 4.03Å; R409-A413 PolarHBondContact NH2-O 2.75Å; R409-I415 VanDerWaalsContact CZ-O 3.27Å; R409-I415 PolarHBondContact NH1-O 3.41Å; R409-I415 PolarHBondContact NH2-O 2.98Å; R409-Q416 VanDerWaalsContact NH1-OE1 3.11Å; R409-A441 CarbonylContact O-C 3.59Å; R409-A441 WeakPolarHBondContact O-CA 3.42Å; R409-A441 WeakPolarHBondContact O-CB 3.38Å; R409-V442 HydrophobicContact CB-CG2 3.99Å; R409-V442 PolarHBondContact N-O 2.88Å; R409-V442 PolarHBondContact O-N 2.99Å
410	T	97.6	Very high	97.5	Very high	6 Å²	6	16.6 Å²	16.6	4%	0.037	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	136.1	158.6	54.4	0	0	0	0	109.4	W196 K412 Y440 A441	W196-T410 HydrophobicContact CE3-CG2 3.7Å; W196-T410 HydrophobicContact CZ3-CG2 3.81Å; T410-K412 PolarHBondContact O-N 3.03Å; T410-Y440 WeakPolarHBondContact CA-O 3.42Å; T410-A441 HydrophobicContact CG2-CB 4.22Å
411	L	97.3	Very high	97.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.124	C	C	.	.			trans	-77.6	114.9	-170.8	-81	72.5	0	0	0	111.2	L228 Q416 W434 M435 G438 Y440 V442	L228-L411 HydrophobicContact CD1-CD2 4.18Å; L411-Q416 HydrophobicContact CD2-CB 4.22Å; L411-Q416 HydrophobicContact CD2-CG 4.21Å; L411-W434 HydrophobicContact CD2-CE3 3.74Å; L411-W434 HydrophobicContact CD2-CH2 4.41Å; L411-W434 HydrophobicContact CD2-CZ3 3.39Å; L411-M435 CarbonylContact C-O 3.5Å; L411-M435 WeakPolarHBondContact CB-O 3.47Å; L411-M435 HydrophobicContact CD2-CG 4.36Å; L411-G438 WeakPolarHBondContact O-CA 3.4Å; L411-G438 PolarHBondContact O-N 3.32Å; L411-Y440 WeakPolarHBondContact CD1-O 3.39Å; L411-Y440 PolarHBondContact N-O 3.21Å; L411-V442 HydrophobicContact CD1-CG1 4.25Å; L411-V442 HydrophobicContact CD1-CG2 4.47Å
412	K	95.8	Very high	97.4	Very high	61 Å²	61	21.6 Å²	21.6	27%	0.265	13%	0.128	S	C	.	.			trans	-131.5	17.8	179.2	-59.1	179.5	177.3	-176.4	0	113.3	F23 N198 D375 T410 M435	F23-K412 WeakPolarHBondContact CE1-O 3.35Å; F23-K412 WeakPolarHBondContact CZ-O 3.02Å; N198-K412 PolarHBondContact ND2-NZ 2.82Å; N198-K412 PolarHBondContact OD1-NZ 3.19Å; D375-K412 HydrophobicContact CB-CB 3.93Å; D375-K412 HydrophobicContact CB-CD 4.48Å; D375-K412 HydrophobicContact CB-CG 4.42Å; D375-K412 PolarHBondContact OD1-N 3.14Å; T410-K412 PolarHBondContact O-N 3.03Å; K412-M435 CarbonylContact C-O 3.57Å; K412-M435 WeakPolarHBondContact CA-O 3.41Å; K412-M435 PolarHBondContact N-O 2.81Å
413	A	95.3	Very high	97.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-152.7	151.8	-178	0	0	0	0	0	111.9	W119 D375 R379 R409 I415 M435	W119-A413 HydrophobicContact CH2-CB 3.7Å; W119-A413 HydrophobicContact CZ3-CB 3.7Å; D375-A413 PolarHBondContact OD1-N 3.06Å; D375-A413 VanDerWaalsContact OD2-CB 3.25Å; D375-A413 WeakPolarHBondContact OD2-CB 3.21Å; R379-A413 HydrophobicContact CG-CB 4.04Å; R409-A413 PolarHBondContact NH2-O 2.75Å; A413-I415 HydrophobicContact CB-CG2 4.01Å; A413-I415 PolarHBondContact O-N 3.44Å; A413-M435 CarbonylContact C-O 3.58Å; A413-M435 PolarHBondContact N-O 3.06Å; A413-M435 VanDerWaalsContact O-O 3.06Å
414	N	94.8	Very high	97.3	Very high	52 Å²	52	23.1 Å²	23.1	28%	0.278	13%	0.133	S	C	.	.	S	Bend	trans	-72.7	50.5	179.1	-68.4	137.8	0	0	0	113.9	F23 T436	F23-N414 WeakPolarHBondContact CB-OD1 3.24Å; F23-N414 PolarHBondContact N-OD1 3.16Å; N414-T436 WeakPolarHBondContact ND2-CG2 3.21Å
415	I	96.7	Very high	97.2	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.01	15%	0.148	C	C	.	.			trans	-142.9	123.7	174.2	170.9	51.5	0	0	0	107.9	L15 Y378 R379 R385 W387 R409 A413 V417	L15-I415 HydrophobicContact CD1-CB 4.16Å; L15-I415 HydrophobicContact CD1-CG2 4.27Å; Y378-I415 HydrophobicContact CE1-CG1 4.32Å; R379-I415 HydrophobicContact CG-CG2 3.91Å; R385-I415 WeakPolarHBondContact O-CD1 3.45Å; W387-I415 HydrophobicContact CB-CD1 3.91Å; W387-I415 HydrophobicContact CG-CD1 4.19Å; R409-I415 VanDerWaalsContact CZ-O 3.27Å; R409-I415 PolarHBondContact NH1-O 3.41Å; R409-I415 PolarHBondContact NH2-O 2.98Å; A413-I415 HydrophobicContact CB-CG2 4.01Å; A413-I415 PolarHBondContact O-N 3.44Å; I415-V417 HydrophobicContact CD1-CG1 3.86Å
416	Q	98.3	Very high	97.1	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	17%	0.172	C	C	.	.			trans	-152	132.9	168.3	177.9	58.2	52.9	0	0	108.3	Y378 H389 R409 L411 L419 W434	Y378-Q416 PolarHBondContact OH-NE2 3.24Å; Y378-Q416 VanDerWaalsContact OH-NE2 3.16Å; H389-Q416 WeakPolarHBondContact CA-O 3.46Å; H389-Q416 PolarHBondContact ND1-O 3.1Å; R409-Q416 VanDerWaalsContact NH1-OE1 3.11Å; L411-Q416 HydrophobicContact CD2-CB 4.22Å; L411-Q416 HydrophobicContact CD2-CG 4.21Å; Q416-L419 HydrophobicContact CG-CD1 3.89Å; Q416-L419 HydrophobicContact CG-CD2 3.77Å; Q416-L419 HydrophobicContact CG-CG 3.8Å; Q416-W434 HydrophobicContact CB-CH2 3.9Å; Q416-W434 HydrophobicContact CB-CZ3 4.25Å; Q416-W434 HydrophobicContact CG-CH2 4.05Å; Q416-W434 HydrophobicContact CG-CZ3 4.16Å
417	V	98.5	Very high	97	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.176	C	C	.	.			trans	-124.7	170.1	179.1	-62.1	0	0	0	0	111.4	Y378 T382 W387 H389 V391 F393 A396 I415 L419 Q444	Y378-V417 VanDerWaalsContact OH-CG2 3.23Å; Y378-V417 WeakPolarHBondContact OH-CG2 3.37Å; Y378-V417 PolarHBondContact OH-N 3.46Å; T382-V417 HydrophobicContact CG2-CG2 4.24Å; W387-V417 HydrophobicContact CB-CG1 3.4Å; W387-V417 VanDerWaalsContact CB-CG1 3.4Å; W387-V417 HydrophobicContact CG-CG1 3.86Å; H389-V417 CarbonylContact O-C 3.32Å; H389-V417 WeakPolarHBondContact O-CA 3.36Å; V391-V417 HydrophobicContact CB-CG1 4.38Å; V391-V417 WeakPolarHBondContact O-CB 3.31Å; F393-V417 HydrophobicContact CD2-CG2 3.9Å; A396-V417 HydrophobicContact CB-CB 4.36Å; A396-V417 HydrophobicContact CB-CG1 4.11Å; A396-V417 HydrophobicContact CB-CG2 3.81Å; I415-V417 HydrophobicContact CD1-CG1 3.86Å; V417-L419 VanDerWaalsContact C-N 3.29Å; V417-L419 PolarHBondContact O-N 3.48Å; V417-Q444 PolarHBondContact O-NE2 2.95Å
418	G	97.9	Very high	96.9	Very high	22 Å²	22	35.9 Å²	35.9	23%	0.227	20%	0.198	C	C	.	.	S	Bend	trans	67.5	25	177.7	0	0	0	0	0	114.5	H389 V391	H389-G418 PolarHBondContact O-N 2.9Å; V391-G418 WeakPolarHBondContact O-CA 3.45Å; V391-G418 PolarHBondContact O-N 3.06Å
419	L	98.3	Very high	96.7	Very high	7 Å²	7	41.6 Å²	41.6	4%	0.037	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-79.5	156.7	171.4	-62	-168.5	0	0	0	111.3	L228 V229 H389 Q416 V417 Q423 W434	L228-L419 HydrophobicContact CB-CD2 4.28Å; V229-L419 HydrophobicContact CG2-CD2 3.84Å; H389-L419 HydrophobicContact CB-CB 4.32Å; H389-L419 HydrophobicContact CB-CD1 4.15Å; H389-L419 HydrophobicContact CB-CG 4.41Å; H389-L419 PolarHBondContact O-N 3.24Å; Q416-L419 HydrophobicContact CG-CD1 3.89Å; Q416-L419 HydrophobicContact CG-CD2 3.77Å; Q416-L419 HydrophobicContact CG-CG 3.8Å; V417-L419 VanDerWaalsContact C-N 3.29Å; V417-L419 PolarHBondContact O-N 3.48Å; L419-Q423 HydrophobicContact CB-CB 4.27Å; L419-W434 HydrophobicContact CD1-CH2 3.67Å; L419-W434 HydrophobicContact CD1-CZ2 4.46Å; L419-W434 HydrophobicContact CD1-CZ3 4.28Å
420	Q	97.4	Very high	96.6	Very high	136 Å²	136	48.6 Å²	48.6	64%	0.636	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-69.2	152.2	171.7	-63.1	-59.7	-39.5	0	0	110.9	G422 Q423	Q420-G422 PolarHBondContact O-N 3.18Å; Q420-Q423 HydrophobicContact CB-CB 4.32Å; Q420-Q423 WeakPolarHBondContact O-CB 3.48Å; Q420-Q423 PolarHBondContact O-N 2.94Å
421	P	97.1	Very high	96.5	Very high	101 Å²	101	49.4 Å²	49.4	66%	0.656	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	127.6	176.2	-26.1	34.4	0	0	0	112.4	M390 Q423	M390-P421 HydrophobicContact SD-CB 3.8Å; M390-P421 HydrophobicContact SD-CG 3.92Å; P421-Q423 VanDerWaalsContact C-N 3.27Å; P421-Q423 PolarHBondContact O-N 3.39Å
422	G	95.1	Very high	96.4	Very high	27 Å²	27	54.2 Å²	54.2	28%	0.278	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	-9.6	-179.7	0	0	0	0	0	115.4	Q420 E425 N426	Q420-G422 PolarHBondContact O-N 3.18Å; G422-E425 WeakPolarHBondContact CA-OE2 3.1Å; G422-E425 PolarHBondContact N-OE2 3.25Å; G422-N426 VanDerWaalsContact O-CB 3.3Å; G422-N426 WeakPolarHBondContact O-CB 3.45Å; G422-N426 PolarHBondContact O-N 2.97Å; G422-N426 PolarHBondContact O-ND2 2.89Å
423	Q	97.3	Very high	96.3	Very high	46 Å²	46	53.7 Å²	53.7	22%	0.215	31%	0.305	C	S	.	.	H	α-helix	trans	-66.7	-44.4	-176.9	-174.2	-178.5	14.9	0	0	111.6	L228 L419 Q420 P421 N426 L427	L228-Q423 PolarHBondContact O-NE2 2.94Å; L228-Q423 VanDerWaalsContact O-NE2 3.11Å; L419-Q423 HydrophobicContact CB-CB 4.27Å; Q420-Q423 HydrophobicContact CB-CB 4.32Å; Q420-Q423 WeakPolarHBondContact O-CB 3.48Å; Q420-Q423 PolarHBondContact O-N 2.94Å; P421-Q423 VanDerWaalsContact C-N 3.27Å; P421-Q423 PolarHBondContact O-N 3.39Å; Q423-N426 PolarHBondContact O-N 3.46Å; Q423-L427 HydrophobicContact CG-CD1 4.22Å; Q423-L427 VanDerWaalsContact O-CG 3.32Å; Q423-L427 WeakPolarHBondContact O-CG 3.3Å; Q423-L427 PolarHBondContact O-N 2.75Å
424	G	95.7	Very high	96.3	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-65.5	-41.6	179.4	0	0	0	0	0	112.5	L427 N428	G424-L427 PolarHBondContact O-N 3.19Å; G424-N428 WeakPolarHBondContact O-CB 3.19Å; G424-N428 PolarHBondContact O-N 3.43Å
425	E	95.6	Very high	96.3	Very high	95 Å²	95	52.2 Å²	52.2	44%	0.444	30%	0.296	S	S	.	.	H	α-helix	trans	-66	-41.7	178.5	-63.5	80	179.9	0	0	111.8	G422 N428 T429	G422-E425 WeakPolarHBondContact CA-OE2 3.1Å; G422-E425 PolarHBondContact N-OE2 3.25Å; E425-N428 PolarHBondContact O-N 3.22Å; E425-T429 PolarHBondContact O-N 3.25Å; E425-T429 VanDerWaalsContact O-N 3.1Å; E425-T429 PolarHBondContact O-OG1 3.25Å
426	N	96.6	Very high	96.2	Very high	97 Å²	97	53.5 Å²	53.5	52%	0.519	30%	0.304	S	S	.	.	H	α-helix	trans	-62.7	-45.7	174.7	-73.9	-26.4	0	0	0	111.2	G422 Q423 N428 T429 Q430	G422-N426 VanDerWaalsContact O-CB 3.3Å; G422-N426 WeakPolarHBondContact O-CB 3.45Å; G422-N426 PolarHBondContact O-N 2.97Å; G422-N426 PolarHBondContact O-ND2 2.89Å; Q423-N426 PolarHBondContact O-N 3.46Å; N426-N428 PolarHBondContact O-N 3.16Å; N426-T429 PolarHBondContact O-N 3.41Å; N426-Q430 WeakPolarHBondContact O-CG 3.35Å; N426-Q430 PolarHBondContact O-N 3.1Å; N426-Q430 VanDerWaalsContact O-N 3.08Å
427	L	96.7	Very high	95.9	Very high	14 Å²	14	56.1 Å²	56.1	7%	0.073	32%	0.323	C	S	.	.	H	α-helix	trans	-62.3	-42.4	176.2	-74.1	166.1	0	0	0	111.7	L228 Q423 G424 T429 Q430 D431 W434 Y440	L228-L427 HydrophobicContact CD1-CD1 3.68Å; L228-L427 HydrophobicContact CD2-CD1 3.77Å; L228-L427 HydrophobicContact CD2-CD2 4.28Å; L228-L427 HydrophobicContact CG-CD1 4.37Å; Q423-L427 HydrophobicContact CG-CD1 4.22Å; Q423-L427 VanDerWaalsContact O-CG 3.32Å; Q423-L427 WeakPolarHBondContact O-CG 3.3Å; Q423-L427 PolarHBondContact O-N 2.75Å; G424-L427 PolarHBondContact O-N 3.19Å; L427-T429 PolarHBondContact O-N 2.86Å; L427-Q430 PolarHBondContact O-N 3.44Å; L427-Q430 VanDerWaalsContact O-N 3.15Å; L427-D431 CarbonylContact O-C 3.42Å; L427-D431 PolarHBondContact O-N 2.78Å; L427-W434 HydrophobicContact CB-CB 4.43Å; L427-W434 HydrophobicContact CB-CD2 3.76Å; L427-W434 HydrophobicContact CB-CE3 4.38Å; L427-W434 HydrophobicContact CB-CG 3.79Å; L427-W434 HydrophobicContact CD1-CD2 4Å; L427-W434 HydrophobicContact CD1-CE3 3.75Å; L427-W434 HydrophobicContact CD1-CH2 4.31Å; L427-W434 HydrophobicContact CD1-CZ3 3.91Å; L427-W434 HydrophobicContact CG-CD2 4.44Å; L427-Y440 HydrophobicContact CD2-CD1 4.42Å; L427-Y440 HydrophobicContact CD2-CE1 3.73Å
428	N	94.9	Very high	95.6	Very high	85 Å²	85	56.6 Å²	56.6	46%	0.455	33%	0.328	S	S	.	.	H	α-helix	trans	-61.8	-31.9	178.2	-163.9	61.7	0	0	0	112.7	G424 E425 N426	G424-N428 WeakPolarHBondContact O-CB 3.19Å; G424-N428 PolarHBondContact O-N 3.43Å; E425-N428 PolarHBondContact O-N 3.22Å; N426-N428 PolarHBondContact O-N 3.16Å
429	T	96.2	Very high	95.4	Very high	120 Å²	120	58.7 Å²	58.7	74%	0.736	33%	0.331	S	S	*	.	H	α-helix	trans	-74.7	-38.5	175.3	-55.3	0	0	0	0	112.1	E425 N426 L427	E425-T429 PolarHBondContact O-N 3.25Å; E425-T429 VanDerWaalsContact O-N 3.1Å; E425-T429 PolarHBondContact O-OG1 3.25Å; N426-T429 PolarHBondContact O-N 3.41Å; L427-T429 PolarHBondContact O-N 2.86Å
430	Q	95.6	Very high	95.3	Very high	148 Å²	148	59.2 Å²	59.2	69%	0.692	33%	0.332	S	S	*	.	H	α-helix	trans	-81.2	-39	-176.3	-68.7	174.8	22.2	0	0	113.2	N426 L427	N426-Q430 WeakPolarHBondContact O-CG 3.35Å; N426-Q430 PolarHBondContact O-N 3.1Å; N426-Q430 VanDerWaalsContact O-N 3.08Å; L427-Q430 PolarHBondContact O-N 3.44Å; L427-Q430 VanDerWaalsContact O-N 3.15Å
431	D	95.9	Very high	95.4	Very high	22 Å²	22	52.8 Å²	52.8	12%	0.118	30%	0.302	C	S	.	.			trans	-148.7	90.4	-176.1	-176.4	-13.1	0	0	0	108.6	L427 S433 W434 K439	L427-D431 CarbonylContact O-C 3.42Å; L427-D431 PolarHBondContact O-N 2.78Å; D431-S433 PolarHBondContact O-N 3.04Å; D431-S433 PolarHBondContact OD1-N 2.95Å; D431-S433 VanDerWaalsContact OD1-N 3.1Å; D431-S433 PolarHBondContact OD1-OG 3.37Å; D431-W434 HydrophobicContact CB-CB 4.26Å; D431-W434 VanDerWaalsContact O-CB 3.26Å; D431-W434 WeakPolarHBondContact O-CB 3.35Å; D431-W434 PolarHBondContact O-N 3.39Å; D431-W434 PolarHBondContact OD1-N 2.9Å; D431-K439 IonicContact OD2-NZ 3.92Å; D431-K439 PolarHBondContact OD2-NZ 3.38Å
432	P	94.1	Very high	95.4	Very high	102 Å²	102	48 Å²	48	66%	0.662	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-16.7	-179.6	-26.9	34.8	0	0	0	114.5
433	S	94.1	Very high	95.6	Very high	50 Å²	50	46.7 Å²	46.7	35%	0.35	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	2	179.4	76.3	0	0	0	0	114	D431 M435 T436 S437	D431-S433 PolarHBondContact O-N 3.04Å; D431-S433 PolarHBondContact OD1-N 2.95Å; D431-S433 VanDerWaalsContact OD1-N 3.1Å; D431-S433 PolarHBondContact OD1-OG 3.37Å; S433-M435 PolarHBondContact O-N 3.17Å; S433-T436 PolarHBondContact O-N 3.03Å; S433-T436 PolarHBondContact O-OG1 2.96Å; S433-T436 VanDerWaalsContact O-OG1 3.09Å; S433-S437 WeakPolarHBondContact O-CB 3.39Å; S433-S437 PolarHBondContact O-N 2.9Å; S433-S437 PolarHBondContact O-OG 3.34Å
434	W	95.8	Very high	95.7	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-35.4	-167.9	72.3	-86.5	0	0	0	114.9	L228 L411 Q416 L419 L427 D431 T436 Y440	L228-W434 HydrophobicContact CD1-CE3 3.72Å; L228-W434 HydrophobicContact CD1-CZ3 3.49Å; L228-W434 VanDerWaalsContact CD1-CZ3 3.49Å; L411-W434 HydrophobicContact CD2-CE3 3.74Å; L411-W434 HydrophobicContact CD2-CH2 4.41Å; L411-W434 HydrophobicContact CD2-CZ3 3.39Å; Q416-W434 HydrophobicContact CB-CH2 3.9Å; Q416-W434 HydrophobicContact CB-CZ3 4.25Å; Q416-W434 HydrophobicContact CG-CH2 4.05Å; Q416-W434 HydrophobicContact CG-CZ3 4.16Å; L419-W434 HydrophobicContact CD1-CH2 3.67Å; L419-W434 HydrophobicContact CD1-CZ2 4.46Å; L419-W434 HydrophobicContact CD1-CZ3 4.28Å; L427-W434 HydrophobicContact CB-CB 4.43Å; L427-W434 HydrophobicContact CB-CD2 3.76Å; L427-W434 HydrophobicContact CB-CE3 4.38Å; L427-W434 HydrophobicContact CB-CG 3.79Å; L427-W434 HydrophobicContact CD1-CD2 4Å; L427-W434 HydrophobicContact CD1-CE3 3.75Å; L427-W434 HydrophobicContact CD1-CH2 4.31Å; L427-W434 HydrophobicContact CD1-CZ3 3.91Å; L427-W434 HydrophobicContact CG-CD2 4.44Å; D431-W434 HydrophobicContact CB-CB 4.26Å; D431-W434 VanDerWaalsContact O-CB 3.26Å; D431-W434 WeakPolarHBondContact O-CB 3.35Å; D431-W434 PolarHBondContact O-N 3.39Å; D431-W434 PolarHBondContact OD1-N 2.9Å; W434-T436 VanDerWaalsContact C-N 3.34Å; W434-Y440 HydrophobicContact CB-CD2 3.66Å; W434-Y440 HydrophobicContact CB-CE2 3.53Å; W434-Y440 WeakPolarHBondContact O-CD2 3.39Å
435	M	95.1	Very high	95.8	Very high	20 Å²	20	45.8 Å²	45.8	10%	0.099	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-15	178.2	-74.5	-172.8	-84.1	0	0	114.8	L411 K412 A413 S433	L411-M435 CarbonylContact C-O 3.5Å; L411-M435 WeakPolarHBondContact CB-O 3.47Å; L411-M435 HydrophobicContact CD2-CG 4.36Å; K412-M435 CarbonylContact C-O 3.57Å; K412-M435 WeakPolarHBondContact CA-O 3.41Å; K412-M435 PolarHBondContact N-O 2.81Å; A413-M435 CarbonylContact C-O 3.58Å; A413-M435 PolarHBondContact N-O 3.06Å; A413-M435 VanDerWaalsContact O-O 3.06Å; S433-M435 PolarHBondContact O-N 3.17Å
436	T	93.7	Very high	95.9	Very high	29 Å²	29	41.8 Å²	41.8	18%	0.178	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.5	-9.2	-164.2	59.9	0	0	0	0	114	F23 N414 S433 W434	F23-T436 HydrophobicContact CB-CG2 3.85Å; F23-T436 HydrophobicContact CD1-CG2 3.93Å; F23-T436 HydrophobicContact CD2-CG2 3.49Å; F23-T436 VanDerWaalsContact CD2-CG2 3.49Å; F23-T436 HydrophobicContact CE1-CG2 4.25Å; F23-T436 VanDerWaalsContact CE2-CB 3.45Å; F23-T436 HydrophobicContact CE2-CG2 3.81Å; F23-T436 HydrophobicContact CG-CG2 3.5Å; F23-T436 VanDerWaalsContact CG-CG2 3.5Å; F23-T436 HydrophobicContact CZ-CG2 4.13Å; N414-T436 WeakPolarHBondContact ND2-CG2 3.21Å; S433-T436 PolarHBondContact O-N 3.03Å; S433-T436 PolarHBondContact O-OG1 2.96Å; S433-T436 VanDerWaalsContact O-OG1 3.09Å; W434-T436 VanDerWaalsContact C-N 3.34Å
437	S	91.9	Very high	95.8	Very high	56 Å²	56	39.5 Å²	39.5	39%	0.392	23%	0.227	S	C	.	.	S	Bend	trans	-85.2	-12.1	-176.2	59.6	0	0	0	0	114.1	S433 K439	S433-S437 WeakPolarHBondContact O-CB 3.39Å; S433-S437 PolarHBondContact O-N 2.9Å; S433-S437 PolarHBondContact O-OG 3.34Å; S437-K439 PolarHBondContact O-N 3.49Å; S437-K439 VanDerWaalsContact OG-CB 3.27Å; S437-K439 WeakPolarHBondContact OG-CB 3.43Å; S437-K439 PolarHBondContact OG-N 3Å
438	G	92.8	Very high	95.3	Very high	10 Å²	10	41.2 Å²	41.2	10%	0.103	24%	0.239	C	C	.	.	S	Bend	trans	71.1	7.4	-170.2	0	0	0	0	0	113.8	L411	L411-G438 WeakPolarHBondContact O-CA 3.4Å; L411-G438 PolarHBondContact O-N 3.32Å
439	K	93.6	Very high	93.9	Very high	66 Å²	66	45.2 Å²	45.2	29%	0.287	25%	0.254	S	S	.	.			trans	-78.4	-29.7	-178.2	178.7	177.2	159.2	-161.5	0	113.1	R199 F226 D431 S437	R199-K439 PolarHBondContact NH1-O 2.91Å; F226-K439 VanDerWaalsContact CB-O 3.31Å; F226-K439 WeakPolarHBondContact CB-O 3.38Å; F226-K439 HydrophobicContact CD1-CG 4Å; F226-K439 HydrophobicContact CE1-CD 4.38Å; F226-K439 VanDerWaalsContact CE1-CE 3.4Å; F226-K439 HydrophobicContact CE1-CG 4.13Å; D431-K439 IonicContact OD2-NZ 3.92Å; D431-K439 PolarHBondContact OD2-NZ 3.38Å; S437-K439 PolarHBondContact O-N 3.49Å; S437-K439 VanDerWaalsContact OG-CB 3.27Å; S437-K439 WeakPolarHBondContact OG-CB 3.43Å; S437-K439 PolarHBondContact OG-N 3Å
440	Y	97.1	Very high	91.9	Very high	18 Å²	18	49.5 Å²	49.5	7%	0.071	26%	0.257	C	S	.	.			trans	-106.9	157.4	-179.5	-65.1	-89.3	0	0	0	110.4	F226 L228 T410 L411 L427 W434	F226-Y440 HydrophobicContact CB-CD1 4.33Å; F226-Y440 HydrophobicContact CD1-CD1 4.15Å; F226-Y440 AromaticContact CD1-CE1 3.88Å; F226-Y440 HydrophobicContact CD1-CE1 3.88Å; F226-Y440 WeakPolarHBondContact O-CA 3.44Å; L228-Y440 HydrophobicContact CD1-CD1 4.11Å; L228-Y440 HydrophobicContact CD1-CG 4.17Å; L228-Y440 HydrophobicContact CD2-CD1 3.53Å; L228-Y440 HydrophobicContact CD2-CE1 4.07Å; L228-Y440 HydrophobicContact CD2-CG 4.4Å; L228-Y440 HydrophobicContact CG-CD1 3.89Å; L228-Y440 HydrophobicContact CG-CG 4.34Å; T410-Y440 WeakPolarHBondContact CA-O 3.42Å; L411-Y440 WeakPolarHBondContact CD1-O 3.39Å; L411-Y440 PolarHBondContact N-O 3.21Å; L427-Y440 HydrophobicContact CD2-CD1 4.42Å; L427-Y440 HydrophobicContact CD2-CE1 3.73Å; W434-Y440 HydrophobicContact CB-CD2 3.66Å; W434-Y440 HydrophobicContact CB-CE2 3.53Å; W434-Y440 WeakPolarHBondContact O-CD2 3.39Å
441	A	98.1	Very high	89	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	166.6	179.2	0	0	0	0	0	112.5	L195 W196 F226 I227 L228 R409 T410	L195-A441 HydrophobicContact CD1-CB 4.03Å; L195-A441 HydrophobicContact CD2-CB 3.76Å; L195-A441 HydrophobicContact CG-CB 3.95Å; W196-A441 HydrophobicContact CE3-CB 4.33Å; W196-A441 HydrophobicContact CH2-CB 3.29Å; W196-A441 HydrophobicContact CZ2-CB 3.61Å; W196-A441 HydrophobicContact CZ3-CB 3.69Å; F226-A441 PolarHBondContact O-N 3.47Å; I227-A441 CarbonylContact C-O 3.54Å; I227-A441 WeakPolarHBondContact CA-O 3.35Å; L228-A441 PolarHBondContact N-O 3.37Å; R409-A441 CarbonylContact O-C 3.59Å; R409-A441 WeakPolarHBondContact O-CA 3.42Å; R409-A441 WeakPolarHBondContact O-CB 3.38Å; T410-A441 HydrophobicContact CG2-CB 4.22Å
442	V	98.7	Very high	85.8	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	142.6	170	-67	0	0	0	0	110.6	L195 L228 V229 Y378 R409 L411 Q444	L195-V442 WeakPolarHBondContact CD1-O 3.49Å; L228-V442 HydrophobicContact CB-CG1 4.14Å; V229-V442 HydrophobicContact CB-CB 4.18Å; V229-V442 HydrophobicContact CB-CG1 3.87Å; V229-V442 HydrophobicContact CG2-CG1 4.03Å; V229-V442 WeakPolarHBondContact O-CA 3.49Å; Y378-V442 HydrophobicContact CE2-CG2 4.11Å; R409-V442 HydrophobicContact CB-CG2 3.99Å; R409-V442 PolarHBondContact N-O 2.88Å; R409-V442 PolarHBondContact O-N 2.99Å; L411-V442 HydrophobicContact CD1-CG1 4.25Å; L411-V442 HydrophobicContact CD1-CG2 4.47Å; V442-Q444 HydrophobicContact CB-CB 4.37Å; V442-Q444 HydrophobicContact CG2-CB 4.36Å
443	V	98.8	Very high	85.4	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	98	159	179.5	0	0	0	0	104.6	L191 L195 I227 V229 D231 V235 S407 L408	L191-V443 HydrophobicContact CD2-CG1 4.05Å; L195-V443 HydrophobicContact CD2-CG2 3.77Å; I227-V443 HydrophobicContact CG2-CG2 4.48Å; V229-V443 CarbonylContact C-O 3.59Å; V229-V443 PolarHBondContact O-N 2.89Å; D231-V443 WeakPolarHBondContact CB-O 3.45Å; D231-V443 PolarHBondContact N-O 3.24Å; V235-V443 HydrophobicContact CG2-CG1 4.27Å; S407-V443 WeakPolarHBondContact O-CA 3.35Å; L408-V443 HydrophobicContact CD2-CB 4.28Å; L408-V443 HydrophobicContact CD2-CG1 3.83Å; L408-V443 HydrophobicContact CD2-CG2 3.97Å
444	Q	98.6	Very high	84.9	Confident	5 Å²	5	62.1 Å²	62.1	2%	0.023	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	116.8	-170	-162.8	166.9	31.3	0	0	110.7	V229 D231 Y378 F393 C406 S407 V417 V442	V229-Q444 HydrophobicContact CG1-CB 4.45Å; V229-Q444 HydrophobicContact CG1-CG 4.15Å; D231-Q444 WeakPolarHBondContact OD2-CA 3.5Å; Y378-Q444 PolarHBondContact OH-OE1 3.49Å; F393-Q444 HydrophobicContact CB-CG 4.02Å; F393-Q444 HydrophobicContact CD1-CB 4.4Å; F393-Q444 HydrophobicContact CD1-CG 3.65Å; F393-Q444 HydrophobicContact CD2-CG 4.23Å; F393-Q444 HydrophobicContact CE1-CB 4.38Å; F393-Q444 HydrophobicContact CE1-CG 4.11Å; F393-Q444 HydrophobicContact CG-CG 3.71Å; C406-Q444 CarbonylContact C-O 3.47Å; C406-Q444 WeakPolarHBondContact CA-O 3.46Å; S407-Q444 PolarHBondContact N-O 3.28Å; S407-Q444 PolarHBondContact O-N 3.2Å; V417-Q444 PolarHBondContact O-NE2 2.95Å; V442-Q444 HydrophobicContact CB-CB 4.37Å; V442-Q444 HydrophobicContact CG2-CB 4.36Å
445	F	98.6	Very high	84.3	Confident	24 Å²	24	65.4 Å²	65.4	11%	0.105	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	146.8	-171.6	179	-96.2	0	0	0	111.9	D231 M234 V235 A238 L369 P404 L405 C406	D231-F445 HydrophobicContact CB-CB 3.59Å; D231-F445 PolarHBondContact OD2-N 3.48Å; M234-F445 HydrophobicContact CB-CB 4.24Å; M234-F445 HydrophobicContact CB-CD1 3.71Å; M234-F445 HydrophobicContact CB-CE1 4.19Å; M234-F445 HydrophobicContact CB-CG 3.97Å; M234-F445 HydrophobicContact CE-CD1 3.66Å; M234-F445 HydrophobicContact CE-CE1 4.05Å; M234-F445 HydrophobicContact SD-CD1 4.14Å; V235-F445 HydrophobicContact CG2-CB 4.47Å; V235-F445 HydrophobicContact CG2-CD2 4.1Å; A238-F445 HydrophobicContact CB-CE2 3.93Å; A238-F445 HydrophobicContact CB-CZ 3.89Å; L369-F445 HydrophobicContact CD1-CE2 4.03Å; P404-F445 HydrophobicContact CB-CE2 4.07Å; P404-F445 HydrophobicContact CB-CZ 3.98Å; L405-F445 WeakPolarHBondContact O-CA 3.32Å; L405-F445 WeakPolarHBondContact O-CD2 3.35Å; C406-F445 HydrophobicContact CB-CD2 4.2Å
446	S	97.8	Very high	83.7	Confident	10 Å²	10	68.1 Å²	68.1	7%	0.07	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	144.3	171.4	175.5	0	0	0	0	109.3	D394 L397 L405	D394-S446 WeakPolarHBondContact OD1-CB 3.11Å; D394-S446 PolarHBondContact OD1-OG 3.45Å; L397-S446 WeakPolarHBondContact CD1-OG 3.48Å; L405-S446 PolarHBondContact N-O 3.47Å; L405-S446 PolarHBondContact O-N 3.23Å; L405-S446 VanDerWaalsContact O-O 3.07Å
447	S	94.1	Very high	83.1	Confident	50 Å²	50	70.6 Å²	70.6	35%	0.35	34%	0.341	S	S	.	.			trans	-133.3	132.9	173.6	-174.8	0	0	0	0	109.7	H449	S447-H449 PolarHBondContact O-N 3.23Å
448	P	85.2	Confident	82.5	Confident	49 Å²	49	71.5 Å²	71.5	32%	0.318	34%	0.337	S	S	.	.			trans	-60.1	133.3	176.7	24.1	-31.5	0	0	0	109.8	R450	P448-R450 PolarHBondContact O-N 3.27Å
449	H	66.1	Low	81.7	Confident	170 Å²	170	75.9 Å²	75.9	79%	0.787	35%	0.354	S	S	*	.			trans	-61.4	110.6	171.7	-64.5	-31.1	0	0	0	108.6	S447 E451	S447-H449 PolarHBondContact O-N 3.23Å; H449-E451 PolarHBondContact O-N 2.84Å; H449-E451 VanDerWaalsContact O-N 3.15Å
450	R	53.5	Low	80.8	Confident	210 Å²	210	76.7 Å²	76.7	79%	0.792	36%	0.359	S	S	*	.			trans	-70.6	106.5	164.1	-67.4	-173.9	-177.1	-175.6	2.5	106	P448 Q452	P448-R450 PolarHBondContact O-N 3.27Å; R450-Q452 PolarHBondContact O-N 3.48Å; R450-Q452 VanDerWaalsContact O-N 3.08Å
451	E	35	Very low	79.5	Confident	195 Å²	195	81.6 Å²	81.6	91%	0.911	38%	0.383	S	S	*	.			trans	-55	116	161.9	-71.3	-174.9	164.6	0	0	106.5	H449	H449-E451 PolarHBondContact O-N 2.84Å; H449-E451 VanDerWaalsContact O-N 3.15Å
452	Q	29.1	Very low	77.8	Confident	266 Å²	266	89 Å²	89	100%	1.243	42%	0.418	S	S	*	.			trans	-76	0	175	-78.5	-175.8	-4.4	0	0	110.7	R450	R450-Q452 PolarHBondContact O-N 3.48Å; R450-Q452 VanDerWaalsContact O-N 3.08Å

Retrieved 452 of 452 residues in 98.7 ms (Link to these results)

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