A0A5K4F3X0_SCHMA Loading...

V-type proton ATPase subunit H

Subunit of the V1 complex of vacuolar(H+)-ATPase (V-ATPase), a multisubunit enzyme composed of a peripheral complex (V1) that hydrolyzes ATP and a membrane integral complex (V0) that translocates protons. V-ATPase is responsible for acidifying and maintaining the pH of intracellular compartments.

AlphaFold DB , UniProt , Accession A0A5K4F3X0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 477 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38	Very low	50.2	Low	204 Å²	204	75.4 Å²	75.4	100%	1.005	40%	0.396	S	S	*	.				0	114.2	0	-156.5	178.1	-65.1	0	0	105.6
2	S	44.4	Very low	50.2	Low	54 Å²	54	73.7 Å²	73.7	38%	0.378	38%	0.384	S	S	.	.			trans	-63.1	152.7	178.9	60	0	0	0	0	109.3	E4 Y5 A6	S2-E4 PolarHBondContact O-N 3.41Å; S2-Y5 PolarHBondContact O-N 3.07Å; S2-Y5 WeakPolarHBondContact OG-CD2 3.35Å; S2-Y5 PolarHBondContact OG-N 3.38Å; S2-A6 PolarHBondContact O-N 3.29Å
3	L	51.9	Low	50	Low	147 Å²	147	77.3 Å²	77.3	77%	0.77	40%	0.404	S	S	*	.	H	α-helix	trans	-48.9	-32.2	172.1	-80.9	153.7	0	0	0	111.8	A6 R7	L3-A6 PolarHBondContact O-N 2.68Å; L3-R7 PolarHBondContact O-N 3.34Å
4	E	56.1	Low	49.4	Very low	52 Å²	52	77.1 Å²	77.1	24%	0.243	40%	0.403	C	S	.	.	H	α-helix	trans	-61.1	-47.9	174.3	-61	172.2	177.4	0	0	112.3	S2 A6 R7 V8 F240 K284	S2-E4 PolarHBondContact O-N 3.41Å; E4-A6 VanDerWaalsContact C-N 3.33Å; E4-A6 PolarHBondContact O-N 3.17Å; E4-R7 PolarHBondContact O-N 3.22Å; E4-V8 WeakPolarHBondContact O-CB 3.36Å; E4-V8 WeakPolarHBondContact O-CG2 3.37Å; E4-V8 PolarHBondContact O-N 2.92Å; E4-F240 HydrophobicContact CB-CD2 4.21Å; E4-F240 HydrophobicContact CB-CE2 4.12Å; E4-F240 HydrophobicContact CB-CZ 4.41Å; E4-F240 HydrophobicContact CG-CD1 4.28Å; E4-F240 HydrophobicContact CG-CD2 4.22Å; E4-F240 HydrophobicContact CG-CE2 4.47Å; E4-F240 HydrophobicContact CG-CG 4.11Å; E4-K284 IonicContact OE1-NZ 3.24Å; E4-K284 PolarHBondContact OE1-NZ 3.34Å
5	Y	50	Low	49.1	Very low	140 Å²	140	74.6 Å²	74.6	55%	0.549	39%	0.392	S	S	.	.	H	α-helix	trans	-64.9	-35.4	177	-87.8	-75.7	0	0	0	112.7	S2 V8 G9	S2-Y5 PolarHBondContact O-N 3.07Å; S2-Y5 WeakPolarHBondContact OG-CD2 3.35Å; S2-Y5 PolarHBondContact OG-N 3.38Å; Y5-V8 PolarHBondContact O-N 3.31Å; Y5-G9 PolarHBondContact O-N 2.86Å
6	A	46.6	Very low	48.8	Very low	38 Å²	38	75.3 Å²	75.3	31%	0.314	41%	0.405	S	S	.	.	H	α-helix	trans	-67.6	-45.4	177.9	0	0	0	0	0	111.9	S2 L3 E4 V8 G9 N10	S2-A6 PolarHBondContact O-N 3.29Å; L3-A6 PolarHBondContact O-N 2.68Å; E4-A6 VanDerWaalsContact C-N 3.33Å; E4-A6 PolarHBondContact O-N 3.17Å; A6-V8 VanDerWaalsContact C-N 3.35Å; A6-V8 PolarHBondContact O-N 3.08Å; A6-G9 PolarHBondContact O-N 3.42Å; A6-N10 VanDerWaalsContact O-CG 3.28Å; A6-N10 PolarHBondContact O-N 3.09Å; A6-N10 PolarHBondContact O-ND2 3.06Å
7	R	56.7	Low	48.1	Very low	57 Å²	57	79.4 Å²	79.4	22%	0.215	43%	0.425	C	S	.	.	H	α-helix	trans	-61.7	-41.6	174	-72.1	-175	175.9	168.9	1.2	111.7	L3 E4 G9 N10 I11 W236 R279 E283	L3-R7 PolarHBondContact O-N 3.34Å; E4-R7 PolarHBondContact O-N 3.22Å; R7-G9 PolarHBondContact O-N 2.58Å; R7-N10 PolarHBondContact O-N 3.35Å; R7-I11 WeakPolarHBondContact O-CG1 3.13Å; R7-I11 PolarHBondContact O-N 3.33Å; R7-I11 VanDerWaalsContact O-N 3.16Å; R7-W236 HydrophobicContact CB-CH2 4.35Å; R7-W236 HydrophobicContact CB-CZ2 4Å; R7-R279 VanDerWaalsContact NH2-CZ 3.26Å; R7-E283 IonicContact CZ-OE2 3.72Å; R7-E283 IonicContact NH1-OE2 2.66Å; R7-E283 PolarHBondContact NH1-OE2 3.28Å; R7-E283 IonicContact NH2-OE1 2.98Å; R7-E283 IonicContact NH2-OE2 2.7Å
8	V	55.6	Low	47.6	Very low	11 Å²	11	77.6 Å²	77.6	7%	0.067	43%	0.428	C	S	.	.	H	α-helix	trans	-62.3	-40.3	176.8	172.4	0	0	0	0	112.6	E4 Y5 A6 R197 W236 F240	E4-V8 WeakPolarHBondContact O-CB 3.36Å; E4-V8 WeakPolarHBondContact O-CG2 3.37Å; E4-V8 PolarHBondContact O-N 2.92Å; Y5-V8 PolarHBondContact O-N 3.31Å; A6-V8 VanDerWaalsContact C-N 3.35Å; A6-V8 PolarHBondContact O-N 3.08Å; V8-R197 HydrophobicContact CG1-CG 4.37Å; V8-W236 HydrophobicContact CB-CH2 4.1Å; V8-W236 HydrophobicContact CB-CZ3 4.38Å; V8-W236 HydrophobicContact CG2-CH2 3.4Å; V8-W236 VanDerWaalsContact CG2-CH2 3.4Å; V8-W236 HydrophobicContact CG2-CZ2 4.45Å; V8-W236 HydrophobicContact CG2-CZ3 3.6Å; V8-F240 HydrophobicContact CG2-CE2 3.88Å; V8-F240 HydrophobicContact CG2-CZ 4.22Å
9	G	51.8	Low	47.8	Very low	28 Å²	28	78.1 Å²	78.1	29%	0.289	44%	0.437	S	S	.	.	H	α-helix	trans	-66.9	-47	176.6	0	0	0	0	0	112.9	Y5 A6 R7 I11 E12 D13	Y5-G9 PolarHBondContact O-N 2.86Å; A6-G9 PolarHBondContact O-N 3.42Å; R7-G9 PolarHBondContact O-N 2.58Å; G9-I11 PolarHBondContact O-N 3.08Å; G9-E12 WeakPolarHBondContact O-CB 3.39Å; G9-E12 PolarHBondContact O-N 3.23Å; G9-D13 PolarHBondContact O-N 2.95Å
10	N	49.8	Very low	48.4	Very low	89 Å²	89	78.2 Å²	78.2	48%	0.476	44%	0.44	S	S	.	.	H	α-helix	trans	-66	-38.6	-176.2	-69.2	-13	0	0	0	113.2	A6 R7 E12	A6-N10 VanDerWaalsContact O-CG 3.28Å; A6-N10 PolarHBondContact O-N 3.09Å; A6-N10 PolarHBondContact O-ND2 3.06Å; R7-N10 PolarHBondContact O-N 3.35Å; N10-E12 PolarHBondContact O-N 3.01Å
11	I	51.7	Low	49.9	Very low	9 Å²	9	79.1 Å²	79.1	5%	0.046	45%	0.448	C	S	.	.	H	α-helix	trans	-61.6	-34.7	173.2	-71	166.6	0	0	0	110.4	R7 G9 T15 F233 W236 I273 A276	R7-I11 WeakPolarHBondContact O-CG1 3.13Å; R7-I11 PolarHBondContact O-N 3.33Å; R7-I11 VanDerWaalsContact O-N 3.16Å; G9-I11 PolarHBondContact O-N 3.08Å; I11-T15 HydrophobicContact CG2-CG2 4.13Å; I11-T15 WeakPolarHBondContact O-CG2 3.43Å; I11-T15 PolarHBondContact O-N 3.36Å; I11-T15 VanDerWaalsContact O-N 3.16Å; I11-T15 PolarHBondContact O-OG1 3.46Å; I11-F233 HydrophobicContact CG2-CE2 4.36Å; I11-W236 HydrophobicContact CD1-CH2 3.49Å; I11-W236 VanDerWaalsContact CD1-CH2 3.49Å; I11-W236 HydrophobicContact CD1-CZ2 3.51Å; I11-W236 HydrophobicContact CD1-CZ3 4.07Å; I11-I273 HydrophobicContact CD1-CD1 4.37Å; I11-A276 HydrophobicContact CD1-CB 4.48Å
12	E	49.3	Very low	52.2	Low	55 Å²	55	70 Å²	70	26%	0.257	40%	0.404	S	S	.	.	H	α-helix	trans	-72	-44.7	180	-82.3	-162	140.2	0	0	114.6	G9 N10 I14 T15 S16 R190 R197	G9-E12 WeakPolarHBondContact O-CB 3.39Å; G9-E12 PolarHBondContact O-N 3.23Å; N10-E12 PolarHBondContact O-N 3.01Å; E12-I14 PolarHBondContact O-N 3.11Å; E12-I14 VanDerWaalsContact O-N 3.13Å; E12-T15 WeakPolarHBondContact CA-OG1 3.37Å; E12-T15 PolarHBondContact O-N 2.68Å; E12-T15 PolarHBondContact O-OG1 3.36Å; E12-S16 PolarHBondContact O-N 3.08Å; E12-R190 IonicContact OE1-NH1 2.9Å; E12-R190 IonicContact OE1-NH2 3.4Å; E12-R190 PolarHBondContact OE1-NH2 3.04Å; E12-R197 IonicContact OE1-CZ 3.93Å; E12-R197 IonicContact OE1-NH1 3.31Å; E12-R197 PolarHBondContact OE1-NH1 3.19Å; E12-R197 IonicContact OE1-NH2 3.8Å; E12-R197 PolarHBondContact OE1-NH2 3.37Å; E12-R197 IonicContact OE2-CZ 3.76Å; E12-R197 IonicContact OE2-NH1 2.58Å; E12-R197 PolarHBondContact OE2-NH1 2.96Å; E12-R197 IonicContact OE2-NH2 3Å; E12-R197 PolarHBondContact OE2-NH2 2.96Å
13	D	47.6	Very low	54.4	Low	121 Å²	121	71.8 Å²	71.8	65%	0.647	41%	0.405	S	S	*	.	H	α-helix	trans	-55.1	-35.5	-178.3	-76.8	-20.7	0	0	0	111	G9 S16	G9-D13 PolarHBondContact O-N 2.95Å; D13-S16 PolarHBondContact O-OG 3.23Å
14	I	42.4	Very low	56.4	Low	75 Å²	75	64.8 Å²	64.8	39%	0.385	37%	0.369	S	S	.	.	H	α-helix	trans	-82.6	-33.4	178.6	-59.6	171.8	0	0	0	111.8	E12 S16 I17	E12-I14 PolarHBondContact O-N 3.11Å; E12-I14 VanDerWaalsContact O-N 3.13Å; I14-S16 VanDerWaalsContact C-N 3.29Å; I14-S16 PolarHBondContact O-N 3.34Å; I14-I17 WeakPolarHBondContact O-CB 3.4Å; I14-I17 PolarHBondContact O-N 3.41Å
15	T	44.3	Very low	58.2	Low	39 Å²	39	66 Å²	66	24%	0.239	37%	0.374	C	S	.	.	H	α-helix	trans	-72.1	-18.3	177.6	65.2	0	0	0	0	114.7	I11 E12 I17 G18 Y229	I11-T15 HydrophobicContact CG2-CG2 4.13Å; I11-T15 WeakPolarHBondContact O-CG2 3.43Å; I11-T15 PolarHBondContact O-N 3.36Å; I11-T15 VanDerWaalsContact O-N 3.16Å; I11-T15 PolarHBondContact O-OG1 3.46Å; E12-T15 WeakPolarHBondContact CA-OG1 3.37Å; E12-T15 PolarHBondContact O-N 2.68Å; E12-T15 PolarHBondContact O-OG1 3.36Å; T15-I17 PolarHBondContact O-N 3.44Å; T15-I17 VanDerWaalsContact O-N 3.11Å; T15-G18 PolarHBondContact O-N 3.07Å; T15-Y229 HydrophobicContact CG2-CE2 4.45Å; T15-Y229 WeakPolarHBondContact CG2-OH 3.48Å
16	S	44.9	Very low	60.2	Low	85 Å²	85	61.4 Å²	61.4	59%	0.594	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-17.4	174.3	73.3	0	0	0	0	113.1	E12 D13 I14 G18	E12-S16 PolarHBondContact O-N 3.08Å; D13-S16 PolarHBondContact O-OG 3.23Å; I14-S16 VanDerWaalsContact C-N 3.29Å; I14-S16 PolarHBondContact O-N 3.34Å; S16-G18 PolarHBondContact O-N 3.41Å
17	I	36.9	Very low	62.5	Low	145 Å²	145	60.3 Å²	60.3	74%	0.744	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-8.2	-172.8	-57.8	173.3	0	0	0	113.1	I14 T15	I14-I17 WeakPolarHBondContact O-CB 3.4Å; I14-I17 PolarHBondContact O-N 3.41Å; T15-I17 PolarHBondContact O-N 3.44Å; T15-I17 VanDerWaalsContact O-N 3.11Å
18	G	39	Very low	64.3	Low	47 Å²	47	57.6 Å²	57.6	49%	0.485	34%	0.344	S	S	.	.			trans	-150.1	27	-172.2	0	0	0	0	0	117.7	T15 S16 T20	T15-G18 PolarHBondContact O-N 3.07Å; S16-G18 PolarHBondContact O-N 3.41Å; G18-T20 PolarHBondContact O-N 3.45Å; G18-T20 VanDerWaalsContact O-N 3.14Å
19	S	51.1	Low	66.2	Low	87 Å²	87	59.6 Å²	59.6	61%	0.608	36%	0.362	S	S	*	.			trans	-69.3	110.3	179.9	64.5	0	0	0	0	111.6	T21	S19-T21 PolarHBondContact O-N 3.26Å
20	T	60.7	Low	68.2	Low	81 Å²	81	64.5 Å²	64.5	50%	0.497	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-59.1	124.9	161.6	43.7	0	0	0	0	108.7	G18 S22	G18-T20 PolarHBondContact O-N 3.45Å; G18-T20 VanDerWaalsContact O-N 3.14Å; T20-S22 PolarHBondContact O-N 3.36Å
21	T	78.4	Confident	70.4	Confident	98 Å²	98	60.6 Å²	60.6	60%	0.601	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-57.6	123.4	175.8	-53	0	0	0	0	109.4	S19 Q25 A26	S19-T21 PolarHBondContact O-N 3.26Å; T21-Q25 HydrophobicContact CG2-CB 3.59Å; T21-A26 HydrophobicContact CG2-CB 4.24Å
22	S	87	Confident	72.4	Confident	13 Å²	13	64.9 Å²	64.9	9%	0.091	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-70.8	158.5	177.6	77.4	0	0	0	0	110.9	T20 L24 Q25 A26	T20-S22 PolarHBondContact O-N 3.36Å; S22-L24 PolarHBondContact O-N 3.27Å; S22-Q25 WeakPolarHBondContact O-CB 3.3Å; S22-Q25 PolarHBondContact O-N 3.4Å; S22-Q25 WeakPolarHBondContact OG-CG 3.38Å; S22-Q25 PolarHBondContact OG-N 2.95Å; S22-A26 PolarHBondContact O-N 3.23Å
23	F	91.2	Very high	74.4	Confident	90 Å²	90	67 Å²	67	40%	0.395	39%	0.393	S	S	.	.	H	α-helix	trans	-54.3	-41.3	177.3	-176.5	-101	0	0	0	112.4	Q25 A26 T27 Q183 Y184	F23-Q25 PolarHBondContact O-N 3.27Å; F23-A26 PolarHBondContact O-N 2.99Å; F23-T27 WeakPolarHBondContact O-CB 2.8Å; F23-T27 PolarHBondContact O-N 3.43Å; F23-T27 PolarHBondContact O-OG1 2.89Å; F23-Q183 VanDerWaalsContact CB-O 3.29Å; F23-Q183 WeakPolarHBondContact CB-O 3.47Å; F23-Q183 HydrophobicContact CD1-CB 4.15Å; F23-Q183 HydrophobicContact CG-CB 4.32Å; F23-Y184 HydrophobicContact CD1-CD1 4.24Å; F23-Y184 AromaticContact CD1-CE1 3.76Å; F23-Y184 HydrophobicContact CD1-CE1 3.76Å; F23-Y184 HydrophobicContact CD1-CE2 4.07Å; F23-Y184 AromaticContact CD1-CZ 3.67Å; F23-Y184 HydrophobicContact CE1-CE1 4.14Å; F23-Y184 HydrophobicContact CE1-CE2 4.05Å; F23-Y184 AromaticContact CE1-CZ 3.64Å; F23-Y184 WeakPolarHBondContact CE1-OH 3.35Å
24	L	94.4	Very high	76.5	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-60.7	-44.7	175.5	-175.6	69.8	0	0	0	111.8	S22 T27 A28 F141 Q145 R148 Y184 T187	S22-L24 PolarHBondContact O-N 3.27Å; L24-T27 PolarHBondContact O-N 2.88Å; L24-A28 VanDerWaalsContact O-CB 3.23Å; L24-A28 WeakPolarHBondContact O-CB 3.47Å; L24-A28 PolarHBondContact O-N 3.22Å; L24-F141 HydrophobicContact CD1-CD2 3.65Å; L24-F141 HydrophobicContact CD1-CE2 3.65Å; L24-F141 HydrophobicContact CD1-CG 4.4Å; L24-F141 HydrophobicContact CD1-CZ 4.41Å; L24-Q145 HydrophobicContact CD1-CB 4.22Å; L24-R148 HydrophobicContact CD2-CB 4.49Å; L24-Y184 HydrophobicContact CB-CD1 4.03Å; L24-Y184 HydrophobicContact CB-CE1 4.26Å; L24-Y184 HydrophobicContact CD1-CD1 4.11Å; L24-Y184 HydrophobicContact CD1-CE1 3.83Å; L24-T187 HydrophobicContact CB-CG2 4.48Å; L24-T187 WeakPolarHBondContact CB-OG1 3.47Å; L24-T187 HydrophobicContact CD2-CG2 3.4Å
25	Q	92.4	Very high	78.8	Confident	78 Å²	78	70 Å²	70	36%	0.364	40%	0.395	S	S	.	.	H	α-helix	trans	-65.9	-40.6	-179.9	-72.9	173.9	-31.8	0	0	112.2	T21 S22 F23 A28 A29	T21-Q25 HydrophobicContact CG2-CB 3.59Å; S22-Q25 WeakPolarHBondContact O-CB 3.3Å; S22-Q25 PolarHBondContact O-N 3.4Å; S22-Q25 WeakPolarHBondContact OG-CG 3.38Å; S22-Q25 PolarHBondContact OG-N 2.95Å; F23-Q25 PolarHBondContact O-N 3.27Å; Q25-A28 PolarHBondContact O-N 2.84Å; Q25-A29 PolarHBondContact O-N 2.63Å
26	A	93	Very high	81.1	Confident	43 Å²	43	68.9 Å²	68.9	36%	0.355	39%	0.389	S	S	.	.	H	α-helix	trans	-61.7	-48.5	175	0	0	0	0	0	110.8	T21 S22 F23 A28 A29 E30	T21-A26 HydrophobicContact CG2-CB 4.24Å; S22-A26 PolarHBondContact O-N 3.23Å; F23-A26 PolarHBondContact O-N 2.99Å; A26-A28 VanDerWaalsContact C-N 3.33Å; A26-A28 PolarHBondContact O-N 3.26Å; A26-A29 WeakPolarHBondContact O-CB 3.5Å; A26-A29 PolarHBondContact O-N 3Å; A26-A29 VanDerWaalsContact O-N 3.12Å; A26-E30 PolarHBondContact O-N 2.85Å
27	T	94.4	Very high	83.5	Confident	15 Å²	15	69.6 Å²	69.6	9%	0.092	39%	0.386	C	S	.	.	H	α-helix	trans	-63.9	-39.1	177.8	-50.7	0	0	0	0	111.4	F23 L24 A29 E30 V31 F141	F23-T27 WeakPolarHBondContact O-CB 2.8Å; F23-T27 PolarHBondContact O-N 3.43Å; F23-T27 PolarHBondContact O-OG1 2.89Å; L24-T27 PolarHBondContact O-N 2.88Å; T27-A29 VanDerWaalsContact C-N 3.29Å; T27-A29 PolarHBondContact O-N 3.38Å; T27-E30 WeakPolarHBondContact O-CB 3.48Å; T27-E30 PolarHBondContact O-N 2.95Å; T27-V31 WeakPolarHBondContact O-CG2 3.02Å; T27-V31 PolarHBondContact O-N 2.84Å; T27-F141 HydrophobicContact CG2-CD2 3.37Å; T27-F141 HydrophobicContact CG2-CE2 3.66Å; T27-F141 HydrophobicContact CG2-CG 4.25Å
28	A	94.9	Very high	86.3	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-63.6	-35.4	176.1	0	0	0	0	0	111.5	L24 Q25 A26 E30 V31 R32 T100 F141	L24-A28 VanDerWaalsContact O-CB 3.23Å; L24-A28 WeakPolarHBondContact O-CB 3.47Å; L24-A28 PolarHBondContact O-N 3.22Å; Q25-A28 PolarHBondContact O-N 2.84Å; A26-A28 VanDerWaalsContact C-N 3.33Å; A26-A28 PolarHBondContact O-N 3.26Å; A28-E30 VanDerWaalsContact C-N 3.35Å; A28-V31 PolarHBondContact O-N 3.48Å; A28-R32 WeakPolarHBondContact O-CG 3.45Å; A28-R32 PolarHBondContact O-N 3.44Å; A28-T100 HydrophobicContact CB-CG2 4.18Å; A28-F141 HydrophobicContact CB-CE2 4.13Å; A28-F141 HydrophobicContact CB-CZ 4.09Å
29	A	94.3	Very high	89	Confident	53 Å²	53	64.3 Å²	64.3	44%	0.438	35%	0.345	S	S	.	.	H	α-helix	trans	-64	-39.5	174.1	0	0	0	0	0	112.2	Q25 A26 T27 R32	Q25-A29 PolarHBondContact O-N 2.63Å; A26-A29 WeakPolarHBondContact O-CB 3.5Å; A26-A29 PolarHBondContact O-N 3Å; A26-A29 VanDerWaalsContact O-N 3.12Å; T27-A29 VanDerWaalsContact C-N 3.29Å; T27-A29 PolarHBondContact O-N 3.38Å; A29-R32 VanDerWaalsContact CA-NH1 3.33Å; A29-R32 PolarHBondContact O-N 3Å
30	E	95.2	Very high	91.1	Very high	132 Å²	132	62.9 Å²	62.9	62%	0.617	34%	0.335	S	S	*	.	H	α-helix	trans	-64.9	-44.7	172.3	-63.4	175.2	-174.1	0	0	111.4	A26 T27 A28 R32 S33	A26-E30 PolarHBondContact O-N 2.85Å; T27-E30 WeakPolarHBondContact O-CB 3.48Å; T27-E30 PolarHBondContact O-N 2.95Å; A28-E30 VanDerWaalsContact C-N 3.35Å; E30-R32 VanDerWaalsContact C-N 3.3Å; E30-R32 PolarHBondContact O-N 3.35Å; E30-S33 WeakPolarHBondContact O-CB 3.46Å; E30-S33 PolarHBondContact O-N 3.35Å; E30-S33 PolarHBondContact O-OG 3.21Å
31	V	95.4	Very high	92.8	Very high	6 Å²	6	60.2 Å²	60.2	4%	0.036	32%	0.316	C	S	.	.	H	α-helix	trans	-59	-39.8	177.7	171.4	0	0	0	0	111.6	T27 A28 S33 T34 R96 Y97 F141	T27-V31 WeakPolarHBondContact O-CG2 3.02Å; T27-V31 PolarHBondContact O-N 2.84Å; A28-V31 PolarHBondContact O-N 3.48Å; V31-S33 PolarHBondContact O-N 3.44Å; V31-T34 WeakPolarHBondContact O-CB 3.3Å; V31-T34 PolarHBondContact O-N 3.45Å; V31-T34 PolarHBondContact O-OG1 2.96Å; V31-R96 HydrophobicContact CG1-CB 4.11Å; V31-R96 HydrophobicContact CG2-CB 4.14Å; V31-Y97 HydrophobicContact CG1-CD2 4.16Å; V31-Y97 WeakPolarHBondContact O-CD2 3.49Å; V31-F141 HydrophobicContact CG2-CE1 4.27Å; V31-F141 HydrophobicContact CG2-CE2 4.45Å; V31-F141 HydrophobicContact CG2-CZ 4.04Å
32	R	92.7	Very high	93.6	Very high	99 Å²	99	56.9 Å²	56.9	37%	0.374	29%	0.294	S	S	.	.	H	α-helix	trans	-59.7	-27.9	174.9	-72.3	177.6	-163.8	101.3	3	113.6	A28 A29 E30 T34 T100 D104	A28-R32 WeakPolarHBondContact O-CG 3.45Å; A28-R32 PolarHBondContact O-N 3.44Å; A29-R32 VanDerWaalsContact CA-NH1 3.33Å; A29-R32 PolarHBondContact O-N 3Å; E30-R32 VanDerWaalsContact C-N 3.3Å; E30-R32 PolarHBondContact O-N 3.35Å; R32-T34 PolarHBondContact O-N 2.86Å; R32-T100 HydrophobicContact CG-CG2 3.74Å; R32-D104 WeakPolarHBondContact CD-OD2 3.25Å; R32-D104 IonicContact CZ-OD1 3.69Å; R32-D104 IonicContact CZ-OD2 3.63Å; R32-D104 IonicContact NE-OD1 3.96Å; R32-D104 PolarHBondContact NE-OD1 3.14Å; R32-D104 IonicContact NE-OD2 3.69Å; R32-D104 PolarHBondContact NE-OD2 2.95Å; R32-D104 IonicContact NH2-OD1 2.76Å; R32-D104 PolarHBondContact NH2-OD1 3.42Å; R32-D104 IonicContact NH2-OD2 2.81Å
33	S	92	Very high	94	Very high	99 Å²	99	63 Å²	63	69%	0.692	32%	0.321	S	S	*	.	H	α-helix	trans	-76.5	-14	177.5	77.3	0	0	0	0	113.1	E30 V31	E30-S33 WeakPolarHBondContact O-CB 3.46Å; E30-S33 PolarHBondContact O-N 3.35Å; E30-S33 PolarHBondContact O-OG 3.21Å; V31-S33 PolarHBondContact O-N 3.44Å
34	T	92.5	Very high	94.1	Very high	42 Å²	42	60.9 Å²	60.9	26%	0.258	33%	0.326	S	S	.	.			trans	-81	148.7	178.5	72.4	0	0	0	0	111.1	V31 R32 Q93 Y97	V31-T34 WeakPolarHBondContact O-CB 3.3Å; V31-T34 PolarHBondContact O-N 3.45Å; V31-T34 PolarHBondContact O-OG1 2.96Å; R32-T34 PolarHBondContact O-N 2.86Å; T34-Q93 PolarHBondContact OG1-NE2 3.28Å; T34-Q93 VanDerWaalsContact OG1-NE2 3.17Å; T34-Y97 WeakPolarHBondContact O-CE2 3.46Å
35	R	89.2	Confident	94	Very high	218 Å²	218	69.4 Å²	69.4	82%	0.823	37%	0.365	S	S	*	.			trans	-109.9	134.4	173.4	-71.5	-166.7	177	-139.8	-0.4	110.5
36	V	93.6	Very high	94.1	Very high	16 Å²	16	69.1 Å²	69.1	10%	0.097	37%	0.365	C	S	.	.			trans	-91.8	128.8	172.4	-179.2	0	0	0	0	109.3	W38 Y41 T94 Y97	V36-W38 VanDerWaalsContact C-N 3.35Å; V36-W38 HydrophobicContact CB-CD2 4.23Å; V36-W38 HydrophobicContact CB-CH2 3.98Å; V36-W38 HydrophobicContact CB-CZ2 3.6Å; V36-W38 HydrophobicContact CB-CZ3 4.49Å; V36-W38 HydrophobicContact CG1-CD2 3.82Å; V36-W38 HydrophobicContact CG1-CE3 3.78Å; V36-W38 HydrophobicContact CG1-CH2 3.61Å; V36-W38 HydrophobicContact CG1-CZ2 3.71Å; V36-W38 HydrophobicContact CG1-CZ3 3.68Å; V36-W38 HydrophobicContact CG2-CH2 4.27Å; V36-W38 HydrophobicContact CG2-CZ2 4.06Å; V36-W38 PolarHBondContact O-N 3.37Å; V36-Y41 HydrophobicContact CG1-CD2 4.26Å; V36-Y41 HydrophobicContact CG1-CE2 3.76Å; V36-T94 HydrophobicContact CG1-CG2 3.94Å; V36-T94 HydrophobicContact CG2-CG2 4.43Å; V36-Y97 HydrophobicContact CB-CD1 4.32Å; V36-Y97 HydrophobicContact CG2-CD1 3.37Å; V36-Y97 HydrophobicContact CG2-CD2 4.36Å; V36-Y97 HydrophobicContact CG2-CE1 3.98Å; V36-Y97 HydrophobicContact CG2-CG 3.58Å
37	N	94.8	Very high	94.2	Very high	99 Å²	99	67.3 Å²	67.3	53%	0.529	35%	0.35	S	S	.	.			trans	-80.8	82	174.3	-172.5	-5.7	0	0	0	110.5	Q39 S40 Y41	N37-Q39 PolarHBondContact O-N 3.3Å; N37-Q39 WeakPolarHBondContact OD1-CB 3.21Å; N37-Q39 PolarHBondContact OD1-N 2.87Å; N37-S40 PolarHBondContact ND2-OG 3.19Å; N37-S40 PolarHBondContact O-N 3.1Å; N37-S40 PolarHBondContact OD1-N 3.35Å; N37-Y41 WeakPolarHBondContact O-CD2 3.41Å
38	W	96	Very high	94.2	Very high	9 Å²	9	69.8 Å²	69.8	3%	0.034	36%	0.362	C	S	.	.	H	α-helix	trans	-58.1	-29.3	178	-58.4	116	0	0	0	113.1	V36 S40 Y41 L42 Y52 I55 D59 I85 T94 Y97 I98	V36-W38 VanDerWaalsContact C-N 3.35Å; V36-W38 HydrophobicContact CB-CD2 4.23Å; V36-W38 HydrophobicContact CB-CH2 3.98Å; V36-W38 HydrophobicContact CB-CZ2 3.6Å; V36-W38 HydrophobicContact CB-CZ3 4.49Å; V36-W38 HydrophobicContact CG1-CD2 3.82Å; V36-W38 HydrophobicContact CG1-CE3 3.78Å; V36-W38 HydrophobicContact CG1-CH2 3.61Å; V36-W38 HydrophobicContact CG1-CZ2 3.71Å; V36-W38 HydrophobicContact CG1-CZ3 3.68Å; V36-W38 HydrophobicContact CG2-CH2 4.27Å; V36-W38 HydrophobicContact CG2-CZ2 4.06Å; V36-W38 PolarHBondContact O-N 3.37Å; W38-S40 VanDerWaalsContact C-N 3.29Å; W38-S40 PolarHBondContact O-N 2.94Å; W38-Y41 HydrophobicContact CE3-CD2 4.16Å; W38-Y41 PolarHBondContact O-N 2.85Å; W38-Y41 VanDerWaalsContact O-N 3.11Å; W38-L42 PolarHBondContact O-N 3.16Å; W38-L42 VanDerWaalsContact O-N 3.08Å; W38-Y52 HydrophobicContact CB-CD2 3.86Å; W38-Y52 HydrophobicContact CB-CE2 3.82Å; W38-I55 HydrophobicContact CB-CG2 4.32Å; W38-I55 HydrophobicContact CD2-CG1 3.95Å; W38-I55 HydrophobicContact CD2-CG2 3.77Å; W38-I55 HydrophobicContact CE3-CG1 4.24Å; W38-I55 HydrophobicContact CE3-CG2 4.06Å; W38-I55 HydrophobicContact CG-CG2 3.86Å; W38-I55 HydrophobicContact CH2-CG1 4.02Å; W38-I55 HydrophobicContact CZ2-CD1 4.3Å; W38-I55 HydrophobicContact CZ2-CG1 3.65Å; W38-I55 HydrophobicContact CZ3-CG1 4.28Å; W38-D59 PolarHBondContact NE1-OD2 3.37Å; W38-I85 HydrophobicContact CZ3-CD1 4.12Å; W38-T94 HydrophobicContact CH2-CG2 4.14Å; W38-T94 HydrophobicContact CZ3-CG2 4.16Å; W38-Y97 HydrophobicContact CZ2-CD1 4.11Å; W38-Y97 HydrophobicContact CZ2-CE1 4.13Å; W38-I98 HydrophobicContact CH2-CD1 3.44Å; W38-I98 VanDerWaalsContact CH2-CD1 3.44Å; W38-I98 HydrophobicContact CH2-CG1 3.94Å; W38-I98 HydrophobicContact CZ2-CD1 4.09Å; W38-I98 HydrophobicContact CZ3-CD1 4.34Å
39	Q	95.8	Very high	94.2	Very high	72 Å²	72	75.4 Å²	75.4	34%	0.336	39%	0.393	S	S	.	.	H	α-helix	trans	-61.4	-39	179.3	-170.5	65	30.6	0	0	111.7	N37 Y41 L42 Q43 Y52	N37-Q39 PolarHBondContact O-N 3.3Å; N37-Q39 WeakPolarHBondContact OD1-CB 3.21Å; N37-Q39 PolarHBondContact OD1-N 2.87Å; Q39-Y41 VanDerWaalsContact C-N 3.29Å; Q39-Y41 PolarHBondContact O-N 2.99Å; Q39-L42 PolarHBondContact O-N 3.06Å; Q39-Q43 HydrophobicContact CG-CG 4.48Å; Q39-Q43 WeakPolarHBondContact O-CB 3.32Å; Q39-Q43 WeakPolarHBondContact O-CG 3.39Å; Q39-Q43 PolarHBondContact O-N 3.37Å; Q39-Y52 HydrophobicContact CB-CE2 4.4Å; Q39-Y52 PolarHBondContact OE1-OH 2.86Å
40	S	95	Very high	94.3	Very high	58 Å²	58	77.7 Å²	77.7	41%	0.406	39%	0.394	S	S	.	.	H	α-helix	trans	-65.3	-33.5	177	-63.1	0	0	0	0	112.4	N37 W38 G44	N37-S40 PolarHBondContact ND2-OG 3.19Å; N37-S40 PolarHBondContact O-N 3.1Å; N37-S40 PolarHBondContact OD1-N 3.35Å; W38-S40 VanDerWaalsContact C-N 3.29Å; W38-S40 PolarHBondContact O-N 2.94Å; S40-G44 PolarHBondContact O-N 3.39Å
41	Y	95.9	Very high	94.2	Very high	24 Å²	24	71.8 Å²	71.8	9%	0.094	37%	0.366	C	S	.	.	H	α-helix	trans	-71.8	-36.2	175.7	-70.1	-71.6	0	0	0	112.4	V36 N37 W38 Q39 Q45 I46 I47 I89 K91 T94	V36-Y41 HydrophobicContact CG1-CD2 4.26Å; V36-Y41 HydrophobicContact CG1-CE2 3.76Å; N37-Y41 WeakPolarHBondContact O-CD2 3.41Å; W38-Y41 HydrophobicContact CE3-CD2 4.16Å; W38-Y41 PolarHBondContact O-N 2.85Å; W38-Y41 VanDerWaalsContact O-N 3.11Å; Q39-Y41 VanDerWaalsContact C-N 3.29Å; Q39-Y41 PolarHBondContact O-N 2.99Å; Y41-Q45 PolarHBondContact O-N 2.95Å; Y41-I46 HydrophobicContact CD1-CB 4.17Å; Y41-I46 HydrophobicContact CD1-CD1 3.67Å; Y41-I46 HydrophobicContact CD1-CG1 4.5Å; Y41-I46 HydrophobicContact CD1-CG2 4.12Å; Y41-I46 HydrophobicContact CE1-CD1 4.14Å; Y41-I46 PolarHBondContact O-N 3.41Å; Y41-I47 PolarHBondContact O-N 2.91Å; Y41-I89 HydrophobicContact CD1-CD1 3.75Å; Y41-I89 HydrophobicContact CD1-CG1 4.35Å; Y41-I89 HydrophobicContact CD2-CD1 4.44Å; Y41-I89 HydrophobicContact CE1-CD1 3.69Å; Y41-I89 HydrophobicContact CE1-CG1 4.18Å; Y41-I89 HydrophobicContact CE1-CG2 3.95Å; Y41-I89 HydrophobicContact CE2-CD1 4.37Å; Y41-I89 HydrophobicContact CG-CD1 4.14Å; Y41-K91 VanDerWaalsContact OH-CD 3.28Å; Y41-K91 WeakPolarHBondContact OH-CD 3.4Å; Y41-T94 HydrophobicContact CE2-CG2 4.12Å; Y41-T94 WeakPolarHBondContact OH-CB 3.46Å; Y41-T94 PolarHBondContact OH-OG1 2.7Å
42	L	95.4	Very high	94.3	Very high	29 Å²	29	74.3 Å²	74.3	15%	0.152	38%	0.376	C	S	.	.	H	α-helix	trans	-66.2	-48.7	173.1	178.7	64.3	0	0	0	111.4	W38 Q39 G44 Q45 I47 Y52	W38-L42 PolarHBondContact O-N 3.16Å; W38-L42 VanDerWaalsContact O-N 3.08Å; Q39-L42 PolarHBondContact O-N 3.06Å; L42-G44 VanDerWaalsContact C-N 3.26Å; L42-G44 PolarHBondContact O-N 2.78Å; L42-Q45 WeakPolarHBondContact O-CA 3.15Å; L42-Q45 PolarHBondContact O-N 3.46Å; L42-I47 HydrophobicContact CB-CG1 4.3Å; L42-I47 WeakPolarHBondContact CD1-O 3.31Å; L42-Y52 HydrophobicContact CB-CD2 3.95Å; L42-Y52 HydrophobicContact CB-CG 4.25Å; L42-Y52 HydrophobicContact CD2-CD1 3.85Å; L42-Y52 HydrophobicContact CD2-CD2 4.03Å; L42-Y52 HydrophobicContact CD2-CE1 4.27Å; L42-Y52 HydrophobicContact CD2-CE2 4.4Å; L42-Y52 HydrophobicContact CD2-CG 3.73Å; L42-Y52 HydrophobicContact CG-CG 4.42Å
43	Q	95.6	Very high	94.4	Very high	140 Å²	140	72.2 Å²	72.2	65%	0.654	38%	0.376	S	S	*	.	H	α-helix	trans	-60.9	-36.5	177.1	-73.8	175.2	-20	0	0	112.2	Q39 Q45	Q39-Q43 HydrophobicContact CG-CG 4.48Å; Q39-Q43 WeakPolarHBondContact O-CB 3.32Å; Q39-Q43 WeakPolarHBondContact O-CG 3.39Å; Q39-Q43 PolarHBondContact O-N 3.37Å; Q43-Q45 PolarHBondContact O-N 3.18Å
44	G	94.1	Very high	94.6	Very high	47 Å²	47	67.6 Å²	67.6	49%	0.485	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	2.8	173.6	0	0	0	0	0	114.6	S40 L42 I46	S40-G44 PolarHBondContact O-N 3.39Å; L42-G44 VanDerWaalsContact C-N 3.26Å; L42-G44 PolarHBondContact O-N 2.78Å; G44-I46 PolarHBondContact O-N 3.41Å; G44-I46 VanDerWaalsContact O-N 3.12Å
45	Q	93	Very high	94.8	Very high	179 Å²	179	65.6 Å²	65.6	84%	0.836	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	23.6	-176.7	-57.3	-179.1	-20.4	0	0	114.1	Y41 L42 Q43	Y41-Q45 PolarHBondContact O-N 2.95Å; L42-Q45 WeakPolarHBondContact O-CA 3.15Å; L42-Q45 PolarHBondContact O-N 3.46Å; Q43-Q45 PolarHBondContact O-N 3.18Å
46	I	93.5	Very high	95.1	Very high	71 Å²	71	56.7 Å²	56.7	36%	0.364	30%	0.302	S	S	.	.	S	Bend	trans	-77.9	-37.1	177.8	-63.9	170.1	0	0	0	109.7	Y41 G44 F84 I89	Y41-I46 HydrophobicContact CD1-CB 4.17Å; Y41-I46 HydrophobicContact CD1-CD1 3.67Å; Y41-I46 HydrophobicContact CD1-CG1 4.5Å; Y41-I46 HydrophobicContact CD1-CG2 4.12Å; Y41-I46 HydrophobicContact CE1-CD1 4.14Å; Y41-I46 PolarHBondContact O-N 3.41Å; G44-I46 PolarHBondContact O-N 3.41Å; G44-I46 VanDerWaalsContact O-N 3.12Å; I46-F84 WeakPolarHBondContact O-CE1 3.36Å; I46-F84 WeakPolarHBondContact O-CZ 3.36Å; I46-I89 HydrophobicContact CG2-CG1 3.99Å
47	I	94.7	Very high	95.2	Very high	6 Å²	6	62.3 Å²	62.3	3%	0.031	32%	0.321	C	S	.	.	S	Bend	trans	-121.7	152.5	172.7	64	178.4	0	0	0	109.6	Y41 L42 Q51 Y52 F84 I85	Y41-I47 PolarHBondContact O-N 2.91Å; L42-I47 HydrophobicContact CB-CG1 4.3Å; L42-I47 WeakPolarHBondContact CD1-O 3.31Å; I47-Q51 VanDerWaalsContact CA-OE1 3.3Å; I47-Q51 HydrophobicContact CB-CB 4.17Å; I47-Y52 HydrophobicContact CD1-CD2 4.27Å; I47-F84 HydrophobicContact CG2-CD1 4.49Å; I47-F84 HydrophobicContact CG2-CE1 4.13Å; I47-I85 HydrophobicContact CG2-CG1 4.3Å
48	N	94.7	Very high	95.2	Very high	66 Å²	66	58 Å²	58	35%	0.353	30%	0.298	S	S	.	.			trans	-90.7	173.3	176.3	72	16.6	0	0	0	112.4	E50 Q51 Y52	N48-E50 VanDerWaalsContact C-N 3.28Å; N48-E50 PolarHBondContact O-N 3Å; N48-E50 WeakPolarHBondContact OD1-CB 3.5Å; N48-E50 PolarHBondContact OD1-N 3.43Å; N48-Q51 PolarHBondContact O-N 2.92Å; N48-Q51 VanDerWaalsContact OD1-CB 3.31Å; N48-Q51 WeakPolarHBondContact OD1-CB 3.36Å; N48-Q51 WeakPolarHBondContact OD1-CG 3.46Å; N48-Q51 PolarHBondContact OD1-N 3.36Å; N48-Q51 PolarHBondContact OD1-OE1 3.32Å; N48-Y52 WeakPolarHBondContact O-CB 3.39Å; N48-Y52 PolarHBondContact O-N 3.33Å
49	D	95.9	Very high	95.1	Very high	119 Å²	119	59.2 Å²	59.2	64%	0.636	31%	0.305	S	S	*	.	H	α-helix	trans	-60	-36.2	-178.4	-66.2	-59.5	0	0	0	113.3	S53	D49-S53 WeakPolarHBondContact O-CB 3.14Å; D49-S53 PolarHBondContact O-N 3.37Å
50	E	94.9	Very high	95	Very high	101 Å²	101	60.4 Å²	60.4	47%	0.472	31%	0.314	S	S	.	.	H	α-helix	trans	-65.3	-48.1	179.3	-157.9	-166	-177.6	0	0	110.9	N48 S53 F54 M77	N48-E50 VanDerWaalsContact C-N 3.28Å; N48-E50 PolarHBondContact O-N 3Å; N48-E50 WeakPolarHBondContact OD1-CB 3.5Å; N48-E50 PolarHBondContact OD1-N 3.43Å; E50-S53 PolarHBondContact O-N 3.18Å; E50-F54 WeakPolarHBondContact O-CB 3.42Å; E50-F54 PolarHBondContact O-N 3.04Å; E50-M77 VanDerWaalsContact C-CE 3.46Å; E50-M77 HydrophobicContact CB-CE 3.89Å; E50-M77 HydrophobicContact CG-CE 3.53Å; E50-M77 WeakPolarHBondContact O-CE 3.36Å
51	Q	94.4	Very high	95	Very high	7 Å²	7	58.1 Å²	58.1	3%	0.033	30%	0.299	C	S	.	.	H	α-helix	trans	-65.4	-43.5	176.8	-68.1	166.1	-23	0	0	111.3	I47 N48 F54 I55 M77 V81 F84	I47-Q51 VanDerWaalsContact CA-OE1 3.3Å; I47-Q51 HydrophobicContact CB-CB 4.17Å; N48-Q51 PolarHBondContact O-N 2.92Å; N48-Q51 VanDerWaalsContact OD1-CB 3.31Å; N48-Q51 WeakPolarHBondContact OD1-CB 3.36Å; N48-Q51 WeakPolarHBondContact OD1-CG 3.46Å; N48-Q51 PolarHBondContact OD1-N 3.36Å; N48-Q51 PolarHBondContact OD1-OE1 3.32Å; Q51-F54 PolarHBondContact O-N 3.18Å; Q51-I55 WeakPolarHBondContact O-CG2 3.23Å; Q51-I55 PolarHBondContact O-N 2.65Å; Q51-M77 HydrophobicContact CB-CE 4.41Å; Q51-M77 HydrophobicContact CG-CE 3.95Å; Q51-V81 HydrophobicContact CB-CG2 4.25Å; Q51-V81 HydrophobicContact CG-CG2 4.03Å; Q51-F84 VanDerWaalsContact NE2-CG 3.33Å
52	Y	96	Very high	94.8	Very high	59 Å²	59	62.4 Å²	62.4	23%	0.231	33%	0.329	C	S	.	.	H	α-helix	trans	-60.6	-47.1	175.9	171.1	-94.1	0	0	0	111.7	W38 Q39 L42 I47 N48 F54 I55 T56	W38-Y52 HydrophobicContact CB-CD2 3.86Å; W38-Y52 HydrophobicContact CB-CE2 3.82Å; Q39-Y52 HydrophobicContact CB-CE2 4.4Å; Q39-Y52 PolarHBondContact OE1-OH 2.86Å; L42-Y52 HydrophobicContact CB-CD2 3.95Å; L42-Y52 HydrophobicContact CB-CG 4.25Å; L42-Y52 HydrophobicContact CD2-CD1 3.85Å; L42-Y52 HydrophobicContact CD2-CD2 4.03Å; L42-Y52 HydrophobicContact CD2-CE1 4.27Å; L42-Y52 HydrophobicContact CD2-CE2 4.4Å; L42-Y52 HydrophobicContact CD2-CG 3.73Å; L42-Y52 HydrophobicContact CG-CG 4.42Å; I47-Y52 HydrophobicContact CD1-CD2 4.27Å; N48-Y52 WeakPolarHBondContact O-CB 3.39Å; N48-Y52 PolarHBondContact O-N 3.33Å; Y52-F54 VanDerWaalsContact C-N 3.34Å; Y52-F54 PolarHBondContact O-N 2.9Å; Y52-I55 WeakPolarHBondContact O-CG2 3.21Å; Y52-T56 WeakPolarHBondContact O-CB 3.04Å; Y52-T56 PolarHBondContact O-N 3.18Å; Y52-T56 PolarHBondContact O-OG1 2.84Å
53	S	95.7	Very high	94.7	Very high	55 Å²	55	64 Å²	64	39%	0.385	34%	0.34	S	S	.	.	H	α-helix	trans	-63	-40.4	178	177.8	0	0	0	0	111.8	D49 E50 R57	D49-S53 WeakPolarHBondContact O-CB 3.14Å; D49-S53 PolarHBondContact O-N 3.37Å; E50-S53 PolarHBondContact O-N 3.18Å; S53-R57 WeakPolarHBondContact O-CB 3.42Å; S53-R57 VanDerWaalsContact O-CG 3.26Å; S53-R57 WeakPolarHBondContact O-CG 3.38Å; S53-R57 PolarHBondContact O-N 3.47Å; S53-R57 PolarHBondContact O-NE 3.25Å
54	F	96.4	Very high	94.6	Very high	3 Å²	3	59 Å²	59	1%	0.013	32%	0.322	C	S	.	.	H	α-helix	trans	-64.7	-56.6	175.4	179.6	-87.7	0	0	0	111.9	E50 Q51 Y52 T56 R57 L58 V70 M77 T78 V81	E50-F54 WeakPolarHBondContact O-CB 3.42Å; E50-F54 PolarHBondContact O-N 3.04Å; Q51-F54 PolarHBondContact O-N 3.18Å; Y52-F54 VanDerWaalsContact C-N 3.34Å; Y52-F54 PolarHBondContact O-N 2.9Å; F54-T56 VanDerWaalsContact C-N 3.3Å; F54-T56 PolarHBondContact O-N 2.98Å; F54-R57 PolarHBondContact O-N 3.29Å; F54-R57 VanDerWaalsContact O-N 3.16Å; F54-L58 HydrophobicContact CE1-CD2 4.1Å; F54-L58 HydrophobicContact CZ-CD2 4.47Å; F54-L58 PolarHBondContact O-N 3.4Å; F54-V70 HydrophobicContact CD2-CG1 4.46Å; F54-V70 HydrophobicContact CE2-CG1 4.05Å; F54-V70 HydrophobicContact CZ-CG1 4.39Å; F54-M77 HydrophobicContact CB-CE 4.26Å; F54-M77 HydrophobicContact CB-CG 4.23Å; F54-M77 HydrophobicContact CD2-CB 4.34Å; F54-M77 HydrophobicContact CD2-CG 3.84Å; F54-M77 HydrophobicContact CE2-CG 4.47Å; F54-M77 HydrophobicContact CG-CG 4Å; F54-T78 VanDerWaalsContact CZ-CA 3.49Å; F54-T78 HydrophobicContact CZ-CG2 4.02Å; F54-T78 WeakPolarHBondContact CZ-OG1 3.36Å; F54-V81 HydrophobicContact CB-CG2 4.2Å; F54-V81 HydrophobicContact CD1-CB 3.91Å; F54-V81 HydrophobicContact CD1-CG1 3.95Å; F54-V81 HydrophobicContact CD1-CG2 3.72Å; F54-V81 HydrophobicContact CE1-CB 4.29Å; F54-V81 HydrophobicContact CE1-CG2 4.45Å; F54-V81 HydrophobicContact CG-CG2 4.09Å
55	I	95.9	Very high	94.7	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-63.9	-38.1	-174.4	-165.6	62.4	0	0	0	111.2	W38 Q51 Y52 R57 L58 D59 V81 F82 I85 I98	W38-I55 HydrophobicContact CB-CG2 4.32Å; W38-I55 HydrophobicContact CD2-CG1 3.95Å; W38-I55 HydrophobicContact CD2-CG2 3.77Å; W38-I55 HydrophobicContact CE3-CG1 4.24Å; W38-I55 HydrophobicContact CE3-CG2 4.06Å; W38-I55 HydrophobicContact CG-CG2 3.86Å; W38-I55 HydrophobicContact CH2-CG1 4.02Å; W38-I55 HydrophobicContact CZ2-CD1 4.3Å; W38-I55 HydrophobicContact CZ2-CG1 3.65Å; W38-I55 HydrophobicContact CZ3-CG1 4.28Å; Q51-I55 WeakPolarHBondContact O-CG2 3.23Å; Q51-I55 PolarHBondContact O-N 2.65Å; Y52-I55 WeakPolarHBondContact O-CG2 3.21Å; I55-R57 PolarHBondContact O-N 2.89Å; I55-L58 PolarHBondContact O-N 3.04Å; I55-D59 WeakPolarHBondContact O-CB 3.45Å; I55-D59 PolarHBondContact O-N 2.79Å; I55-V81 HydrophobicContact CB-CG1 4.26Å; I55-V81 HydrophobicContact CD1-CG1 4.46Å; I55-F82 HydrophobicContact CD1-CE1 4.49Å; I55-I85 HydrophobicContact CD1-CD1 4.39Å; I55-I85 HydrophobicContact CG1-CD1 4.26Å; I55-I98 HydrophobicContact CD1-CD1 4.31Å
56	T	95.6	Very high	94.8	Very high	31 Å²	31	56.2 Å²	56.2	19%	0.19	30%	0.303	C	S	.	.	H	α-helix	trans	-66.6	-36.5	177.8	-57.3	0	0	0	0	111.9	Y52 F54 N60	Y52-T56 WeakPolarHBondContact O-CB 3.04Å; Y52-T56 PolarHBondContact O-N 3.18Å; Y52-T56 PolarHBondContact O-OG1 2.84Å; F54-T56 VanDerWaalsContact C-N 3.3Å; F54-T56 PolarHBondContact O-N 2.98Å; T56-N60 VanDerWaalsContact CG2-ND2 3.3Å; T56-N60 WeakPolarHBondContact CG2-ND2 2.89Å; T56-N60 WeakPolarHBondContact O-CB 3.27Å; T56-N60 PolarHBondContact O-N 3.09Å; T56-N60 VanDerWaalsContact O-N 3.13Å; T56-N60 PolarHBondContact O-ND2 3.24Å
57	R	95.8	Very high	94.9	Very high	133 Å²	133	55.9 Å²	55.9	50%	0.502	30%	0.297	S	S	.	.	H	α-helix	trans	-66.9	-42.6	174	-78.6	-174.2	-66.5	157.4	-0.2	111.7	S53 F54 I55 A61 V70	S53-R57 WeakPolarHBondContact O-CB 3.42Å; S53-R57 VanDerWaalsContact O-CG 3.26Å; S53-R57 WeakPolarHBondContact O-CG 3.38Å; S53-R57 PolarHBondContact O-N 3.47Å; S53-R57 PolarHBondContact O-NE 3.25Å; F54-R57 PolarHBondContact O-N 3.29Å; F54-R57 VanDerWaalsContact O-N 3.16Å; I55-R57 PolarHBondContact O-N 2.89Å; R57-A61 PolarHBondContact O-N 2.89Å; R57-V70 HydrophobicContact CB-CG1 4.19Å; R57-V70 HydrophobicContact CB-CG2 4.32Å
58	L	95.2	Very high	95	Very high	10 Å²	10	57.4 Å²	57.4	5%	0.052	31%	0.305	C	S	.	.	H	α-helix	trans	-66.9	-45.1	178.7	-173.4	66.9	0	0	0	111.5	F54 I55 N60 A61 R67 V70 I71 F82	F54-L58 HydrophobicContact CE1-CD2 4.1Å; F54-L58 HydrophobicContact CZ-CD2 4.47Å; F54-L58 PolarHBondContact O-N 3.4Å; I55-L58 PolarHBondContact O-N 3.04Å; L58-N60 VanDerWaalsContact C-N 3.34Å; L58-N60 PolarHBondContact O-N 3.02Å; L58-A61 WeakPolarHBondContact O-CB 3.42Å; L58-A61 PolarHBondContact O-N 3.15Å; L58-R67 HydrophobicContact CD1-CB 4.03Å; L58-R67 HydrophobicContact CD1-CG 4.07Å; L58-V70 HydrophobicContact CB-CG1 4.07Å; L58-V70 HydrophobicContact CD1-CB 4.19Å; L58-V70 HydrophobicContact CD1-CG1 4.18Å; L58-I71 HydrophobicContact CD1-CD1 4.18Å; L58-I71 HydrophobicContact CD1-CG1 3.89Å; L58-F82 HydrophobicContact CD2-CE2 3.65Å; L58-F82 HydrophobicContact CD2-CZ 3.53Å
59	D	93.5	Very high	95	Very high	34 Å²	34	61.1 Å²	61.1	18%	0.182	32%	0.32	C	S	.	.	H	α-helix	trans	-66.7	-33.3	-177.2	-164	37.6	0	0	0	112.7	W38 I55 Y97	W38-D59 PolarHBondContact NE1-OD2 3.37Å; I55-D59 WeakPolarHBondContact O-CB 3.45Å; I55-D59 PolarHBondContact O-N 2.79Å; D59-Y97 WeakPolarHBondContact OD1-CE1 3.13Å; D59-Y97 PolarHBondContact OD1-OH 2.88Å
60	N	94	Very high	95.1	Very high	96 Å²	96	56.2 Å²	56.2	51%	0.513	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-0	176.7	-69.1	-58.9	0	0	0	113.9	T56 L58 P62	T56-N60 VanDerWaalsContact CG2-ND2 3.3Å; T56-N60 WeakPolarHBondContact CG2-ND2 2.89Å; T56-N60 WeakPolarHBondContact O-CB 3.27Å; T56-N60 PolarHBondContact O-N 3.09Å; T56-N60 VanDerWaalsContact O-N 3.13Å; T56-N60 PolarHBondContact O-ND2 3.24Å; L58-N60 VanDerWaalsContact C-N 3.34Å; L58-N60 PolarHBondContact O-N 3.02Å; N60-P62 VanDerWaalsContact O-CD 3.31Å; N60-P62 WeakPolarHBondContact O-CD 3.05Å
61	A	94.7	Very high	95.1	Very high	11 Å²	11	51.5 Å²	51.5	9%	0.091	27%	0.272	C	S	.	.			trans	-76.5	112.7	179.1	0	0	0	0	0	110.7	R57 L58 T63 A66 R67	R57-A61 PolarHBondContact O-N 2.89Å; L58-A61 WeakPolarHBondContact O-CB 3.42Å; L58-A61 PolarHBondContact O-N 3.15Å; A61-T63 PolarHBondContact O-N 3.38Å; A61-A66 HydrophobicContact CB-CB 3.86Å; A61-R67 HydrophobicContact CB-CB 4.43Å; A61-R67 HydrophobicContact CB-CG 3.64Å; A61-R67 PolarHBondContact O-NH1 3.28Å; A61-R67 VanDerWaalsContact O-NH1 3.08Å
62	P	90.9	Very high	95.1	Very high	113 Å²	113	58.8 Å²	58.8	73%	0.734	30%	0.3	S	S	*	.			trans	-75.4	-27.1	-164.9	28.7	-35	0	0	0	113.8	N60	N60-P62 VanDerWaalsContact O-CD 3.31Å; N60-P62 WeakPolarHBondContact O-CD 3.05Å
63	T	94.3	Very high	95.1	Very high	63 Å²	63	59.3 Å²	59.3	39%	0.387	32%	0.316	S	S	.	.	S	Bend	trans	-118.9	161.3	-176.9	80	0	0	0	0	111.8	A61 E65 A66 R67	A61-T63 PolarHBondContact O-N 3.38Å; T63-E65 WeakPolarHBondContact CB-OE2 3.37Å; T63-E65 PolarHBondContact O-N 3.49Å; T63-E65 PolarHBondContact OG1-N 3.08Å; T63-E65 PolarHBondContact OG1-OE2 3.44Å; T63-A66 PolarHBondContact O-N 2.92Å; T63-A66 PolarHBondContact OG1-N 3.47Å; T63-R67 PolarHBondContact O-N 3.46Å; T63-R67 PolarHBondContact O-NH1 3.23Å
64	A	93.4	Very high	95	Very high	34 Å²	34	60 Å²	60	28%	0.281	32%	0.316	S	S	.	.	H	α-helix	trans	-60	-34.8	176.1	0	0	0	0	0	111.5	R67 N68 E108	A64-R67 PolarHBondContact O-N 3.45Å; A64-N68 VanDerWaalsContact O-CB 3.28Å; A64-N68 WeakPolarHBondContact O-CB 3.45Å; A64-N68 PolarHBondContact O-N 3.09Å; A64-E108 HydrophobicContact CB-CG 4.12Å
65	E	95.1	Very high	94.9	Very high	136 Å²	136	64.3 Å²	64.3	64%	0.636	34%	0.336	S	S	*	.	H	α-helix	trans	-67.1	-42.1	176	-58	74.5	-161.8	0	0	111.8	T63 N68 H69	T63-E65 WeakPolarHBondContact CB-OE2 3.37Å; T63-E65 PolarHBondContact O-N 3.49Å; T63-E65 PolarHBondContact OG1-N 3.08Å; T63-E65 PolarHBondContact OG1-OE2 3.44Å; E65-N68 WeakPolarHBondContact O-CB 3.47Å; E65-N68 PolarHBondContact O-N 3.18Å; E65-H69 PolarHBondContact O-N 3.4Å
66	A	95.9	Very high	94.8	Very high	33 Å²	33	68 Å²	68	27%	0.273	36%	0.355	S	S	.	.	H	α-helix	trans	-64.8	-43.1	176.5	0	0	0	0	0	111.1	A61 T63 N68 H69 V70	A61-A66 HydrophobicContact CB-CB 3.86Å; T63-A66 PolarHBondContact O-N 2.92Å; T63-A66 PolarHBondContact OG1-N 3.47Å; A66-N68 VanDerWaalsContact C-N 3.33Å; A66-N68 PolarHBondContact O-N 3.12Å; A66-H69 PolarHBondContact O-N 3.01Å; A66-V70 PolarHBondContact O-N 2.98Å
67	R	95.9	Very high	94.7	Very high	64 Å²	64	67 Å²	67	24%	0.242	35%	0.349	C	S	.	.	H	α-helix	trans	-60.6	-43.7	172.8	-73.6	-173.1	-67.5	-82.7	8.1	111.3	L58 A61 T63 A64 H69 V70 I71 E108	L58-R67 HydrophobicContact CD1-CB 4.03Å; L58-R67 HydrophobicContact CD1-CG 4.07Å; A61-R67 HydrophobicContact CB-CB 4.43Å; A61-R67 HydrophobicContact CB-CG 3.64Å; A61-R67 PolarHBondContact O-NH1 3.28Å; A61-R67 VanDerWaalsContact O-NH1 3.08Å; T63-R67 PolarHBondContact O-N 3.46Å; T63-R67 PolarHBondContact O-NH1 3.23Å; A64-R67 PolarHBondContact O-N 3.45Å; R67-H69 VanDerWaalsContact C-N 3.28Å; R67-H69 PolarHBondContact O-N 3.38Å; R67-V70 PolarHBondContact O-N 2.7Å; R67-V70 VanDerWaalsContact O-N 3.14Å; R67-I71 WeakPolarHBondContact O-CD1 3.47Å; R67-I71 VanDerWaalsContact O-CG1 3.28Å; R67-I71 WeakPolarHBondContact O-CG1 3.49Å; R67-I71 PolarHBondContact O-N 3.33Å; R67-E108 IonicContact CZ-OE1 3.16Å; R67-E108 IonicContact NE-OE1 3.8Å; R67-E108 PolarHBondContact NE-OE1 2.98Å; R67-E108 IonicContact NE-OE2 2.93Å; R67-E108 IonicContact NH2-OE1 2.62Å; R67-E108 PolarHBondContact NH2-OE1 3.35Å
68	N	96.1	Very high	94.7	Very high	38 Å²	38	60.7 Å²	60.7	20%	0.203	33%	0.325	C	S	.	.	H	α-helix	trans	-57.9	-40	176.5	-168.2	55.2	0	0	0	112.4	A64 E65 A66 I71 R72 R112	A64-N68 VanDerWaalsContact O-CB 3.28Å; A64-N68 WeakPolarHBondContact O-CB 3.45Å; A64-N68 PolarHBondContact O-N 3.09Å; E65-N68 WeakPolarHBondContact O-CB 3.47Å; E65-N68 PolarHBondContact O-N 3.18Å; A66-N68 VanDerWaalsContact C-N 3.33Å; A66-N68 PolarHBondContact O-N 3.12Å; N68-I71 PolarHBondContact O-N 3.26Å; N68-R72 WeakPolarHBondContact O-CB 3.45Å; N68-R72 WeakPolarHBondContact O-CG 3.38Å; N68-R72 PolarHBondContact O-N 3.43Å; N68-R112 VanDerWaalsContact CB-NH2 3.28Å; N68-R112 PolarHBondContact OD1-NH2 3.5Å
69	H	95.9	Very high	94.7	Very high	143 Å²	143	60.2 Å²	60.2	66%	0.662	32%	0.322	S	S	*	.	H	α-helix	trans	-64.7	-42.4	176.3	-174.1	64.9	0	0	0	112.2	E65 A66 R67 A73	E65-H69 PolarHBondContact O-N 3.4Å; A66-H69 PolarHBondContact O-N 3.01Å; R67-H69 VanDerWaalsContact C-N 3.28Å; R67-H69 PolarHBondContact O-N 3.38Å; H69-A73 WeakPolarHBondContact O-CB 3.45Å; H69-A73 PolarHBondContact O-N 2.72Å
70	V	96.2	Very high	94.7	Very high	17 Å²	17	63.7 Å²	63.7	10%	0.103	33%	0.333	C	S	.	.	H	α-helix	trans	-63.1	-43.6	176.2	178.2	0	0	0	0	111.2	F54 R57 L58 A66 R67 A73	F54-V70 HydrophobicContact CD2-CG1 4.46Å; F54-V70 HydrophobicContact CE2-CG1 4.05Å; F54-V70 HydrophobicContact CZ-CG1 4.39Å; R57-V70 HydrophobicContact CB-CG1 4.19Å; R57-V70 HydrophobicContact CB-CG2 4.32Å; L58-V70 HydrophobicContact CB-CG1 4.07Å; L58-V70 HydrophobicContact CD1-CB 4.19Å; L58-V70 HydrophobicContact CD1-CG1 4.18Å; A66-V70 PolarHBondContact O-N 2.98Å; R67-V70 PolarHBondContact O-N 2.7Å; R67-V70 VanDerWaalsContact O-N 3.14Å; V70-A73 PolarHBondContact O-N 3.21Å
71	I	96.6	Very high	94.8	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-64.6	-48.5	179.6	-66.4	158	0	0	0	111	L58 R67 N68 A73 D74 E75 T78 M105 I115	L58-I71 HydrophobicContact CD1-CD1 4.18Å; L58-I71 HydrophobicContact CD1-CG1 3.89Å; R67-I71 WeakPolarHBondContact O-CD1 3.47Å; R67-I71 VanDerWaalsContact O-CG1 3.28Å; R67-I71 WeakPolarHBondContact O-CG1 3.49Å; R67-I71 PolarHBondContact O-N 3.33Å; N68-I71 PolarHBondContact O-N 3.26Å; I71-A73 VanDerWaalsContact C-N 3.26Å; I71-A73 PolarHBondContact O-N 3.25Å; I71-D74 CarbonylContact O-C 3.6Å; I71-D74 PolarHBondContact O-N 2.99Å; I71-E75 WeakPolarHBondContact O-CA 3.37Å; I71-E75 PolarHBondContact O-N 3.07Å; I71-E75 VanDerWaalsContact O-N 3.15Å; I71-T78 HydrophobicContact CG1-CG2 4.23Å; I71-T78 HydrophobicContact CG2-CG2 4.2Å; I71-M105 HydrophobicContact CD1-CG 3.52Å; I71-M105 HydrophobicContact CD1-SD 3.37Å; I71-M105 WeakPolarHBondContact CD1-SD 3.4Å; I71-M105 HydrophobicContact CG1-SD 3.82Å; I71-I115 HydrophobicContact CG2-CD1 3.61Å
72	R	94.7	Very high	94.9	Very high	160 Å²	160	58.7 Å²	58.7	60%	0.604	30%	0.304	S	S	*	.	H	α-helix	trans	-69.5	-22.1	-179	-74.3	-171.3	178	-169.4	-0.6	113.9	N68 D74	N68-R72 WeakPolarHBondContact O-CB 3.45Å; N68-R72 WeakPolarHBondContact O-CG 3.38Å; N68-R72 PolarHBondContact O-N 3.43Å; R72-D74 PolarHBondContact O-N 3.08Å
73	A	94.5	Very high	95	Very high	69 Å²	69	53.4 Å²	53.4	57%	0.57	27%	0.27	S	S	*	.	H	α-helix	trans	-63.6	-34.5	174.6	0	0	0	0	0	111.6	H69 V70 I71	H69-A73 WeakPolarHBondContact O-CB 3.45Å; H69-A73 PolarHBondContact O-N 2.72Å; V70-A73 PolarHBondContact O-N 3.21Å; I71-A73 VanDerWaalsContact C-N 3.26Å; I71-A73 PolarHBondContact O-N 3.25Å
74	D	93.6	Very high	95	Very high	71 Å²	71	53.4 Å²	53.4	38%	0.38	27%	0.265	S	S	.	.			trans	-156.1	92.5	172	-166	-24	0	0	0	111.6	I71 R72 N76 M77 T78	I71-D74 CarbonylContact O-C 3.6Å; I71-D74 PolarHBondContact O-N 2.99Å; R72-D74 PolarHBondContact O-N 3.08Å; D74-N76 VanDerWaalsContact C-N 3.34Å; D74-N76 PolarHBondContact O-N 3.31Å; D74-N76 PolarHBondContact OD1-N 3.21Å; D74-M77 HydrophobicContact CB-CB 3.78Å; D74-M77 PolarHBondContact O-N 2.95Å; D74-M77 WeakPolarHBondContact OD1-CB 3.44Å; D74-M77 PolarHBondContact OD1-N 3.36Å; D74-M77 WeakPolarHBondContact OD2-CB 3.38Å; D74-T78 PolarHBondContact O-N 3.22Å; D74-T78 PolarHBondContact O-OG1 3.13Å
75	E	94.5	Very high	95	Very high	93 Å²	93	51.9 Å²	51.9	44%	0.435	25%	0.252	S	S	.	.	H	α-helix	trans	-66.1	-37.7	-179.5	-65.8	-176.4	166.7	0	0	111.7	I71 T78 A79 I115	I71-E75 WeakPolarHBondContact O-CA 3.37Å; I71-E75 PolarHBondContact O-N 3.07Å; I71-E75 VanDerWaalsContact O-N 3.15Å; E75-T78 VanDerWaalsContact O-CB 3.27Å; E75-T78 WeakPolarHBondContact O-CB 3.14Å; E75-T78 PolarHBondContact O-N 3.21Å; E75-A79 PolarHBondContact O-N 3.23Å; E75-I115 HydrophobicContact CB-CD1 4.14Å; E75-I115 HydrophobicContact CB-CG1 4.07Å; E75-I115 HydrophobicContact CB-CG2 3.89Å; E75-I115 HydrophobicContact CG-CD1 3.91Å; E75-I115 HydrophobicContact CG-CG1 4.17Å; E75-I115 WeakPolarHBondContact O-CG2 3.06Å
76	N	93.7	Very high	94.9	Very high	78 Å²	78	45.4 Å²	45.4	42%	0.417	22%	0.222	S	C	.	.	H	α-helix	trans	-65.3	-45.3	179.2	-173.2	-13.1	0	0	0	110.6	D74 T78 A79 R80 Y119	D74-N76 VanDerWaalsContact C-N 3.34Å; D74-N76 PolarHBondContact O-N 3.31Å; D74-N76 PolarHBondContact OD1-N 3.21Å; N76-T78 PolarHBondContact O-N 3.27Å; N76-A79 PolarHBondContact O-N 2.94Å; N76-R80 VanDerWaalsContact O-CB 3.31Å; N76-R80 WeakPolarHBondContact O-CB 3.5Å; N76-R80 PolarHBondContact O-N 3.41Å; N76-Y119 WeakPolarHBondContact OD1-CD2 3.26Å
77	M	93.1	Very high	94.7	Very high	9 Å²	9	47.8 Å²	47.8	4%	0.044	23%	0.23	C	C	.	.	H	α-helix	trans	-61.3	-35	175	-171	61.4	170.7	0	0	112	E50 Q51 F54 D74 R80 V81	E50-M77 VanDerWaalsContact C-CE 3.46Å; E50-M77 HydrophobicContact CB-CE 3.89Å; E50-M77 HydrophobicContact CG-CE 3.53Å; E50-M77 WeakPolarHBondContact O-CE 3.36Å; Q51-M77 HydrophobicContact CB-CE 4.41Å; Q51-M77 HydrophobicContact CG-CE 3.95Å; F54-M77 HydrophobicContact CB-CE 4.26Å; F54-M77 HydrophobicContact CB-CG 4.23Å; F54-M77 HydrophobicContact CD2-CB 4.34Å; F54-M77 HydrophobicContact CD2-CG 3.84Å; F54-M77 HydrophobicContact CE2-CG 4.47Å; F54-M77 HydrophobicContact CG-CG 4Å; D74-M77 HydrophobicContact CB-CB 3.78Å; D74-M77 PolarHBondContact O-N 2.95Å; D74-M77 WeakPolarHBondContact OD1-CB 3.44Å; D74-M77 PolarHBondContact OD1-N 3.36Å; D74-M77 WeakPolarHBondContact OD2-CB 3.38Å; M77-R80 PolarHBondContact O-N 3.36Å; M77-V81 HydrophobicContact CE-CG2 3.52Å; M77-V81 HydrophobicContact CG-CG2 3.92Å; M77-V81 WeakPolarHBondContact O-CB 3.28Å; M77-V81 WeakPolarHBondContact O-CG2 3.13Å; M77-V81 PolarHBondContact O-N 2.75Å; M77-V81 HydrophobicContact SD-CG2 3.79Å
78	T	96	Very high	94.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-56.1	-57.8	175.1	-55.8	0	0	0	0	111.2	F54 I71 D74 E75 N76 R80 V81 F82 M105	F54-T78 VanDerWaalsContact CZ-CA 3.49Å; F54-T78 HydrophobicContact CZ-CG2 4.02Å; F54-T78 WeakPolarHBondContact CZ-OG1 3.36Å; I71-T78 HydrophobicContact CG1-CG2 4.23Å; I71-T78 HydrophobicContact CG2-CG2 4.2Å; D74-T78 PolarHBondContact O-N 3.22Å; D74-T78 PolarHBondContact O-OG1 3.13Å; E75-T78 VanDerWaalsContact O-CB 3.27Å; E75-T78 WeakPolarHBondContact O-CB 3.14Å; E75-T78 PolarHBondContact O-N 3.21Å; N76-T78 PolarHBondContact O-N 3.27Å; T78-R80 PolarHBondContact O-N 3.02Å; T78-V81 PolarHBondContact O-N 2.96Å; T78-F82 HydrophobicContact CG2-CD2 3.95Å; T78-F82 HydrophobicContact CG2-CE2 3.97Å; T78-F82 VanDerWaalsContact O-CD2 3.24Å; T78-F82 WeakPolarHBondContact O-CD2 3.28Å; T78-F82 PolarHBondContact O-N 3.3Å; T78-M105 HydrophobicContact CG2-CE 4.12Å; T78-M105 HydrophobicContact CG2-SD 3.79Å
79	A	95.4	Very high	94.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.8	-45.9	178.2	0	0	0	0	0	111.5	E75 N76 V81 F82 I83 I115 F116 Y119	E75-A79 PolarHBondContact O-N 3.23Å; N76-A79 PolarHBondContact O-N 2.94Å; A79-V81 PolarHBondContact O-N 2.88Å; A79-F82 PolarHBondContact O-N 3.39Å; A79-I83 WeakPolarHBondContact O-CB 3.28Å; A79-I83 VanDerWaalsContact O-CG1 3.26Å; A79-I83 WeakPolarHBondContact O-CG1 3.3Å; A79-I83 PolarHBondContact O-N 3.1Å; A79-I115 HydrophobicContact CB-CG2 4.15Å; A79-F116 HydrophobicContact CB-CD1 3.95Å; A79-F116 HydrophobicContact CB-CE1 4.22Å; A79-F116 HydrophobicContact CB-CG 4.32Å; A79-Y119 HydrophobicContact CB-CD1 4.04Å; A79-Y119 HydrophobicContact CB-CD2 3.98Å; A79-Y119 HydrophobicContact CB-CG 3.56Å
80	R	94.5	Very high	94	Very high	108 Å²	108	48 Å²	48	41%	0.408	24%	0.242	S	C	.	.	H	α-helix	trans	-57.1	-47.3	-179.1	-171.6	-179.4	179.9	-164.5	-1.2	112.5	N76 M77 T78 F84 Y119	N76-R80 VanDerWaalsContact O-CB 3.31Å; N76-R80 WeakPolarHBondContact O-CB 3.5Å; N76-R80 PolarHBondContact O-N 3.41Å; M77-R80 PolarHBondContact O-N 3.36Å; T78-R80 PolarHBondContact O-N 3.02Å; R80-F84 WeakPolarHBondContact O-CB 3.25Å; R80-F84 PolarHBondContact O-N 3.02Å; R80-Y119 HydrophobicContact CB-CD2 4.4Å; R80-Y119 HydrophobicContact CB-CE2 3.66Å; R80-Y119 HydrophobicContact CG-CE2 4.08Å
81	V	95.5	Very high	93.9	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65	-49.2	-178.7	171.4	0	0	0	0	110.8	Q51 F54 I55 M77 T78 A79 F84 I85	Q51-V81 HydrophobicContact CB-CG2 4.25Å; Q51-V81 HydrophobicContact CG-CG2 4.03Å; F54-V81 HydrophobicContact CB-CG2 4.2Å; F54-V81 HydrophobicContact CD1-CB 3.91Å; F54-V81 HydrophobicContact CD1-CG1 3.95Å; F54-V81 HydrophobicContact CD1-CG2 3.72Å; F54-V81 HydrophobicContact CE1-CB 4.29Å; F54-V81 HydrophobicContact CE1-CG2 4.45Å; F54-V81 HydrophobicContact CG-CG2 4.09Å; I55-V81 HydrophobicContact CB-CG1 4.26Å; I55-V81 HydrophobicContact CD1-CG1 4.46Å; M77-V81 HydrophobicContact CE-CG2 3.52Å; M77-V81 HydrophobicContact CG-CG2 3.92Å; M77-V81 WeakPolarHBondContact O-CB 3.28Å; M77-V81 WeakPolarHBondContact O-CG2 3.13Å; M77-V81 PolarHBondContact O-N 2.75Å; M77-V81 HydrophobicContact SD-CG2 3.79Å; T78-V81 PolarHBondContact O-N 2.96Å; A79-V81 PolarHBondContact O-N 2.88Å; V81-F84 PolarHBondContact O-N 3.4Å; V81-I85 HydrophobicContact CG1-CD1 3.6Å; V81-I85 HydrophobicContact CG1-CG1 4.37Å; V81-I85 WeakPolarHBondContact O-CB 3.2Å; V81-I85 VanDerWaalsContact O-CG1 3.25Å; V81-I85 WeakPolarHBondContact O-CG1 3.3Å; V81-I85 PolarHBondContact O-N 3.11Å
82	F	96.3	Very high	93.7	Very high	1 Å²	1	58.5 Å²	58.5	0%	0.004	29%	0.288	C	S	.	.	H	α-helix	trans	-61.1	-48.5	-179.1	-84.2	-63.5	0	0	0	112	I55 L58 T78 A79 I85 L86 I98 L101 I102 M105 F116	I55-F82 HydrophobicContact CD1-CE1 4.49Å; L58-F82 HydrophobicContact CD2-CE2 3.65Å; L58-F82 HydrophobicContact CD2-CZ 3.53Å; T78-F82 HydrophobicContact CG2-CD2 3.95Å; T78-F82 HydrophobicContact CG2-CE2 3.97Å; T78-F82 VanDerWaalsContact O-CD2 3.24Å; T78-F82 WeakPolarHBondContact O-CD2 3.28Å; T78-F82 PolarHBondContact O-N 3.3Å; A79-F82 PolarHBondContact O-N 3.39Å; F82-I85 PolarHBondContact O-N 3.48Å; F82-L86 WeakPolarHBondContact O-CG 3.29Å; F82-L86 PolarHBondContact O-N 2.97Å; F82-I98 HydrophobicContact CD1-CD1 4.31Å; F82-I98 HydrophobicContact CD1-CG2 3.99Å; F82-I98 HydrophobicContact CE1-CD1 4.19Å; F82-L101 HydrophobicContact CE1-CB 3.93Å; F82-L101 HydrophobicContact CE1-CD1 4.48Å; F82-L101 HydrophobicContact CZ-CB 4.19Å; F82-I102 HydrophobicContact CB-CD1 4.06Å; F82-I102 HydrophobicContact CB-CG1 4.15Å; F82-I102 HydrophobicContact CD1-CD1 3.86Å; F82-I102 HydrophobicContact CD1-CG1 3.39Å; F82-I102 HydrophobicContact CD2-CG1 4.4Å; F82-I102 HydrophobicContact CE1-CG1 3.76Å; F82-I102 HydrophobicContact CG-CD1 4.17Å; F82-I102 HydrophobicContact CG-CG1 3.75Å; F82-I102 HydrophobicContact CZ-CG1 4.41Å; F82-M105 HydrophobicContact CD2-CE 4.13Å; F82-M105 HydrophobicContact CE2-CE 3.83Å; F82-M105 HydrophobicContact CE2-SD 3.99Å; F82-F116 HydrophobicContact CB-CE1 4.05Å; F82-F116 HydrophobicContact CB-CZ 4.26Å; F82-F116 HydrophobicContact CD2-CZ 4.14Å; F82-F116 HydrophobicContact CG-CZ 4.46Å
83	I	94.7	Very high	93.6	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.015	28%	0.275	C	S	.	.	H	α-helix	trans	-66.5	-41.8	180	-63.5	-55.2	0	0	0	111.5	A79 I85 L86 N87 F116 Y119 F120 F131	A79-I83 WeakPolarHBondContact O-CB 3.28Å; A79-I83 VanDerWaalsContact O-CG1 3.26Å; A79-I83 WeakPolarHBondContact O-CG1 3.3Å; A79-I83 PolarHBondContact O-N 3.1Å; I83-I85 VanDerWaalsContact C-N 3.35Å; I83-I85 PolarHBondContact O-N 3.24Å; I83-L86 HydrophobicContact CD1-CD1 4.3Å; I83-L86 PolarHBondContact O-N 2.97Å; I83-N87 WeakPolarHBondContact O-CB 3.31Å; I83-N87 PolarHBondContact O-N 3.42Å; I83-F116 HydrophobicContact CD1-CD1 4.17Å; I83-F116 HydrophobicContact CD1-CE1 4.25Å; I83-F116 HydrophobicContact CG1-CD1 4.2Å; I83-F116 HydrophobicContact CG1-CE1 4.29Å; I83-Y119 HydrophobicContact CB-CE1 4.47Å; I83-Y119 HydrophobicContact CG1-CE1 4.44Å; I83-Y119 HydrophobicContact CG2-CE1 4.49Å; I83-F120 HydrophobicContact CB-CZ 4.28Å; I83-F120 HydrophobicContact CD1-CE2 3.74Å; I83-F120 HydrophobicContact CD1-CZ 3.6Å; I83-F120 HydrophobicContact CG1-CE2 3.73Å; I83-F120 HydrophobicContact CG1-CZ 3.54Å; I83-F120 HydrophobicContact CG2-CE1 4.32Å; I83-F120 HydrophobicContact CG2-CZ 3.78Å; I83-F131 HydrophobicContact CD1-CE2 4.22Å; I83-F131 HydrophobicContact CD1-CZ 4.13Å
84	F	93.4	Very high	93.6	Very high	63 Å²	63	51.1 Å²	51.1	28%	0.276	25%	0.249	S	C	.	.	H	α-helix	trans	-59.4	-46.5	175.5	179	-90.5	0	0	0	111.6	I46 I47 Q51 R80 V81 N87 K88	I46-F84 WeakPolarHBondContact O-CE1 3.36Å; I46-F84 WeakPolarHBondContact O-CZ 3.36Å; I47-F84 HydrophobicContact CG2-CD1 4.49Å; I47-F84 HydrophobicContact CG2-CE1 4.13Å; Q51-F84 VanDerWaalsContact NE2-CG 3.33Å; R80-F84 WeakPolarHBondContact O-CB 3.25Å; R80-F84 PolarHBondContact O-N 3.02Å; V81-F84 PolarHBondContact O-N 3.4Å; F84-N87 PolarHBondContact O-N 3.32Å; F84-K88 HydrophobicContact CD1-CG 4.33Å; F84-K88 HydrophobicContact CD2-CG 4.15Å; F84-K88 HydrophobicContact CE1-CB 4.34Å; F84-K88 HydrophobicContact CE1-CG 4.03Å; F84-K88 HydrophobicContact CE2-CG 3.85Å; F84-K88 HydrophobicContact CG-CG 4.39Å; F84-K88 HydrophobicContact CZ-CG 3.78Å; F84-K88 WeakPolarHBondContact O-CB 3.42Å; F84-K88 WeakPolarHBondContact O-CG 3.27Å; F84-K88 PolarHBondContact O-N 3.1Å
85	I	93	Very high	93.7	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-61.7	-47.2	178.5	-72.6	170.8	0	0	0	111	W38 I47 I55 V81 F82 I83 N87 K88 I89 I98	W38-I85 HydrophobicContact CZ3-CD1 4.12Å; I47-I85 HydrophobicContact CG2-CG1 4.3Å; I55-I85 HydrophobicContact CD1-CD1 4.39Å; I55-I85 HydrophobicContact CG1-CD1 4.26Å; V81-I85 HydrophobicContact CG1-CD1 3.6Å; V81-I85 HydrophobicContact CG1-CG1 4.37Å; V81-I85 WeakPolarHBondContact O-CB 3.2Å; V81-I85 VanDerWaalsContact O-CG1 3.25Å; V81-I85 WeakPolarHBondContact O-CG1 3.3Å; V81-I85 PolarHBondContact O-N 3.11Å; F82-I85 PolarHBondContact O-N 3.48Å; I83-I85 VanDerWaalsContact C-N 3.35Å; I83-I85 PolarHBondContact O-N 3.24Å; I85-N87 PolarHBondContact O-N 3.19Å; I85-K88 PolarHBondContact O-N 3.11Å; I85-I89 HydrophobicContact CB-CD1 4.49Å; I85-I89 HydrophobicContact CG2-CB 4.46Å; I85-I89 HydrophobicContact CG2-CD1 3.62Å; I85-I89 HydrophobicContact CG2-CG1 4.06Å; I85-I89 WeakPolarHBondContact O-CB 3.46Å; I85-I89 PolarHBondContact O-N 2.89Å; I85-I98 HydrophobicContact CD1-CD1 4.18Å; I85-I98 HydrophobicContact CG2-CB 4.45Å; I85-I98 HydrophobicContact CG2-CD1 3.94Å; I85-I98 HydrophobicContact CG2-CG1 3.63Å; I85-I98 HydrophobicContact CG2-CG2 4.29Å
86	L	93.6	Very high	93.8	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-57.6	-37.3	178.2	-75.1	176.6	0	0	0	112.8	F82 I83 L95 I98 L99 I102 F131 F134	F82-L86 WeakPolarHBondContact O-CG 3.29Å; F82-L86 PolarHBondContact O-N 2.97Å; I83-L86 HydrophobicContact CD1-CD1 4.3Å; I83-L86 PolarHBondContact O-N 2.97Å; L86-L95 HydrophobicContact CD2-CD2 4.17Å; L86-I98 HydrophobicContact CD2-CB 4.45Å; L86-I98 HydrophobicContact CD2-CG2 3.58Å; L86-I98 HydrophobicContact CG-CG2 3.85Å; L86-L99 HydrophobicContact CD1-CD2 4.47Å; L86-L99 HydrophobicContact CD2-CD2 3.74Å; L86-L99 HydrophobicContact CD2-CG 3.99Å; L86-I102 HydrophobicContact CD1-CD1 3.61Å; L86-I102 HydrophobicContact CG-CD1 4.24Å; L86-F131 HydrophobicContact CD1-CE1 3.85Å; L86-F131 HydrophobicContact CD1-CZ 4.08Å; L86-F134 HydrophobicContact CD2-CE2 4.14Å; L86-F134 HydrophobicContact CD2-CZ 3.75Å
87	N	92.1	Very high	94	Very high	82 Å²	82	44 Å²	44	44%	0.439	21%	0.207	S	C	.	.	H	α-helix	trans	-81.2	-30.9	-178.3	-74.5	-11.3	0	0	0	113.7	I83 F84 I85 H130	I83-N87 WeakPolarHBondContact O-CB 3.31Å; I83-N87 PolarHBondContact O-N 3.42Å; F84-N87 PolarHBondContact O-N 3.32Å; I85-N87 PolarHBondContact O-N 3.19Å; N87-H130 PolarHBondContact ND2-CD2 3.34Å; N87-H130 PolarHBondContact ND2-NE2 3.1Å; N87-H130 VanDerWaalsContact ND2-NE2 3.12Å; N87-H130 PolarHBondContact OD1-CD2 3.18Å
88	K	91.4	Very high	94.1	Very high	137 Å²	137	43.5 Å²	43.5	60%	0.596	21%	0.205	S	C	*	.	H	α-helix	trans	-100.4	-28	-172.8	-65.9	-60.9	-176.1	-175.5	0	114.5	F84 I85	F84-K88 HydrophobicContact CD1-CG 4.33Å; F84-K88 HydrophobicContact CD2-CG 4.15Å; F84-K88 HydrophobicContact CE1-CB 4.34Å; F84-K88 HydrophobicContact CE1-CG 4.03Å; F84-K88 HydrophobicContact CE2-CG 3.85Å; F84-K88 HydrophobicContact CG-CG 4.39Å; F84-K88 HydrophobicContact CZ-CG 3.78Å; F84-K88 WeakPolarHBondContact O-CB 3.42Å; F84-K88 WeakPolarHBondContact O-CG 3.27Å; F84-K88 PolarHBondContact O-N 3.1Å; I85-K88 PolarHBondContact O-N 3.11Å
89	I	91.4	Very high	94.2	Very high	7 Å²	7	43.5 Å²	43.5	4%	0.036	21%	0.205	C	C	.	.			trans	-92.1	129	-178.8	-57.7	-169.2	0	0	0	110	Y41 I46 I85 K91 T94 L95	Y41-I89 HydrophobicContact CD1-CD1 3.75Å; Y41-I89 HydrophobicContact CD1-CG1 4.35Å; Y41-I89 HydrophobicContact CD2-CD1 4.44Å; Y41-I89 HydrophobicContact CE1-CD1 3.69Å; Y41-I89 HydrophobicContact CE1-CG1 4.18Å; Y41-I89 HydrophobicContact CE1-CG2 3.95Å; Y41-I89 HydrophobicContact CE2-CD1 4.37Å; Y41-I89 HydrophobicContact CG-CD1 4.14Å; I46-I89 HydrophobicContact CG2-CG1 3.99Å; I85-I89 HydrophobicContact CB-CD1 4.49Å; I85-I89 HydrophobicContact CG2-CB 4.46Å; I85-I89 HydrophobicContact CG2-CD1 3.62Å; I85-I89 HydrophobicContact CG2-CG1 4.06Å; I85-I89 WeakPolarHBondContact O-CB 3.46Å; I85-I89 PolarHBondContact O-N 2.89Å; I89-K91 HydrophobicContact CG2-CB 4.11Å; I89-T94 HydrophobicContact CD1-CG2 3.96Å; I89-T94 HydrophobicContact CG2-CG2 3.96Å; I89-L95 WeakPolarHBondContact O-CD2 3.38Å
90	S	90.1	Very high	94.2	Very high	105 Å²	105	43.6 Å²	43.6	73%	0.734	21%	0.206	S	C	*	.			trans	-102	-13.9	175.2	56.8	0	0	0	0	114	E92	S90-E92 PolarHBondContact O-N 3.06Å; S90-E92 VanDerWaalsContact O-N 3.12Å
91	K	93	Very high	94.3	Very high	126 Å²	126	39.7 Å²	39.7	55%	0.548	19%	0.193	S	C	.	.			trans	-63.8	113.8	-179.1	-173.5	-178.8	-177.4	-176.9	0	110.2	Y41 I89 Q93 T94 L95	Y41-K91 VanDerWaalsContact OH-CD 3.28Å; Y41-K91 WeakPolarHBondContact OH-CD 3.4Å; I89-K91 HydrophobicContact CG2-CB 4.11Å; K91-Q93 PolarHBondContact O-N 3.24Å; K91-T94 WeakPolarHBondContact O-CB 3.32Å; K91-T94 PolarHBondContact O-N 3.41Å; K91-L95 PolarHBondContact O-N 2.72Å; K91-L95 VanDerWaalsContact O-N 3.07Å
92	E	92.2	Very high	94.4	Very high	114 Å²	114	39.7 Å²	39.7	53%	0.533	19%	0.193	S	C	.	.	H	α-helix	trans	-53.5	-49.4	-174.1	-64.8	-177.8	155.8	0	0	112.9	S90 T94 L95 R96	S90-E92 PolarHBondContact O-N 3.06Å; S90-E92 VanDerWaalsContact O-N 3.12Å; E92-T94 PolarHBondContact O-N 3.06Å; E92-L95 CarbonylContact O-C 3.12Å; E92-L95 WeakPolarHBondContact O-CA 3.43Å; E92-L95 WeakPolarHBondContact O-CB 3.38Å; E92-L95 PolarHBondContact O-N 2.68Å; E92-R96 WeakPolarHBondContact O-CG 3.15Å; E92-R96 PolarHBondContact O-N 3.45Å
93	Q	94.1	Very high	94.4	Very high	72 Å²	72	39.7 Å²	39.7	34%	0.336	19%	0.193	S	C	.	.	H	α-helix	trans	-56.7	-37.6	179.8	-173.3	59.1	33.4	0	0	113	T34 K91 Y97	T34-Q93 PolarHBondContact OG1-NE2 3.28Å; T34-Q93 VanDerWaalsContact OG1-NE2 3.17Å; K91-Q93 PolarHBondContact O-N 3.24Å; Q93-Y97 WeakPolarHBondContact O-CB 3.34Å; Q93-Y97 PolarHBondContact O-N 3.43Å; Q93-Y97 VanDerWaalsContact O-N 3.09Å
94	T	94.9	Very high	94.4	Very high	3 Å²	3	41 Å²	41	2%	0.018	20%	0.2	C	C	.	.	H	α-helix	trans	-72.8	-37.1	178	-55.8	0	0	0	0	111.1	V36 W38 Y41 I89 K91 E92 Y97 I98	V36-T94 HydrophobicContact CG1-CG2 3.94Å; V36-T94 HydrophobicContact CG2-CG2 4.43Å; W38-T94 HydrophobicContact CH2-CG2 4.14Å; W38-T94 HydrophobicContact CZ3-CG2 4.16Å; Y41-T94 HydrophobicContact CE2-CG2 4.12Å; Y41-T94 WeakPolarHBondContact OH-CB 3.46Å; Y41-T94 PolarHBondContact OH-OG1 2.7Å; I89-T94 HydrophobicContact CD1-CG2 3.96Å; I89-T94 HydrophobicContact CG2-CG2 3.96Å; K91-T94 WeakPolarHBondContact O-CB 3.32Å; K91-T94 PolarHBondContact O-N 3.41Å; E92-T94 PolarHBondContact O-N 3.06Å; T94-Y97 PolarHBondContact O-N 2.69Å; T94-I98 HydrophobicContact CG2-CG1 4.35Å; T94-I98 WeakPolarHBondContact O-CB 3.42Å; T94-I98 VanDerWaalsContact O-CG1 3.27Å; T94-I98 WeakPolarHBondContact O-CG1 3.38Å; T94-I98 PolarHBondContact O-N 3.47Å
95	L	95.4	Very high	94.5	Very high	7 Å²	7	38.3 Å²	38.3	4%	0.037	19%	0.188	C	C	.	.	H	α-helix	trans	-64.9	-44.3	174	-69.3	173.6	0	0	0	111.8	L86 I89 K91 E92 Y97 I98 L99 F134	L86-L95 HydrophobicContact CD2-CD2 4.17Å; I89-L95 WeakPolarHBondContact O-CD2 3.38Å; K91-L95 PolarHBondContact O-N 2.72Å; K91-L95 VanDerWaalsContact O-N 3.07Å; E92-L95 CarbonylContact O-C 3.12Å; E92-L95 WeakPolarHBondContact O-CA 3.43Å; E92-L95 WeakPolarHBondContact O-CB 3.38Å; E92-L95 PolarHBondContact O-N 2.68Å; L95-Y97 VanDerWaalsContact C-N 3.28Å; L95-Y97 PolarHBondContact O-N 2.83Å; L95-I98 PolarHBondContact O-N 3.48Å; L95-L99 WeakPolarHBondContact O-CB 3.44Å; L95-L99 VanDerWaalsContact O-CG 3.3Å; L95-L99 WeakPolarHBondContact O-CG 3.4Å; L95-L99 PolarHBondContact O-N 2.91Å; L95-F134 HydrophobicContact CB-CE1 4.41Å; L95-F134 HydrophobicContact CD1-CE1 4.18Å; L95-F134 HydrophobicContact CD2-CE1 4.31Å; L95-F134 HydrophobicContact CD2-CZ 4.12Å
96	R	96.4	Very high	94.7	Very high	65 Å²	65	38.3 Å²	38.3	25%	0.245	19%	0.188	C	C	.	.	H	α-helix	trans	-54.3	-47.7	172.8	-64.3	-164.5	172.6	176.8	-0.7	110.8	V31 E92 T100 D139 F141	V31-R96 HydrophobicContact CG1-CB 4.11Å; V31-R96 HydrophobicContact CG2-CB 4.14Å; E92-R96 WeakPolarHBondContact O-CG 3.15Å; E92-R96 PolarHBondContact O-N 3.45Å; R96-T100 WeakPolarHBondContact O-CB 3.41Å; R96-T100 PolarHBondContact O-N 3.41Å; R96-T100 PolarHBondContact O-OG1 3.23Å; R96-D139 IonicContact CZ-OD1 2.83Å; R96-D139 IonicContact CZ-OD2 3.82Å; R96-D139 IonicContact NE-OD1 2.74Å; R96-D139 PolarHBondContact NE-OD1 3.1Å; R96-D139 IonicContact NE-OD2 3.93Å; R96-D139 PolarHBondContact NE-OD2 3.06Å; R96-D139 IonicContact NH2-OD1 2.77Å; R96-D139 PolarHBondContact NH2-OD1 3.25Å; R96-D139 IonicContact NH2-OD2 2.87Å; R96-F141 HydrophobicContact CB-CD1 3.74Å; R96-F141 HydrophobicContact CB-CE1 3.69Å; R96-F141 HydrophobicContact CG-CD1 3.5Å; R96-F141 HydrophobicContact CG-CE1 4.02Å; R96-F141 HydrophobicContact CG-CG 4.34Å
97	Y	96.8	Very high	94.7	Very high	19 Å²	19	43.3 Å²	43.3	8%	0.075	21%	0.212	C	C	.	.	H	α-helix	trans	-62.5	-48.8	179.3	-169.3	-104.1	0	0	0	112.5	V31 T34 V36 W38 D59 Q93 T94 L95 T100 L101	V31-Y97 HydrophobicContact CG1-CD2 4.16Å; V31-Y97 WeakPolarHBondContact O-CD2 3.49Å; T34-Y97 WeakPolarHBondContact O-CE2 3.46Å; V36-Y97 HydrophobicContact CB-CD1 4.32Å; V36-Y97 HydrophobicContact CG2-CD1 3.37Å; V36-Y97 HydrophobicContact CG2-CD2 4.36Å; V36-Y97 HydrophobicContact CG2-CE1 3.98Å; V36-Y97 HydrophobicContact CG2-CG 3.58Å; W38-Y97 HydrophobicContact CZ2-CD1 4.11Å; W38-Y97 HydrophobicContact CZ2-CE1 4.13Å; D59-Y97 WeakPolarHBondContact OD1-CE1 3.13Å; D59-Y97 PolarHBondContact OD1-OH 2.88Å; Q93-Y97 WeakPolarHBondContact O-CB 3.34Å; Q93-Y97 PolarHBondContact O-N 3.43Å; Q93-Y97 VanDerWaalsContact O-N 3.09Å; T94-Y97 PolarHBondContact O-N 2.69Å; L95-Y97 VanDerWaalsContact C-N 3.28Å; L95-Y97 PolarHBondContact O-N 2.83Å; Y97-T100 WeakPolarHBondContact O-CB 2.87Å; Y97-T100 PolarHBondContact O-N 3.36Å; Y97-T100 VanDerWaalsContact O-N 3.16Å; Y97-L101 HydrophobicContact CD1-CD1 3.77Å; Y97-L101 HydrophobicContact CD1-CG 4.12Å; Y97-L101 HydrophobicContact CE1-CD1 3.35Å; Y97-L101 HydrophobicContact CE1-CD2 4.36Å; Y97-L101 HydrophobicContact CE1-CG 3.83Å; Y97-L101 PolarHBondContact O-N 3.42Å
98	I	96.4	Very high	94.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.3	-44.1	-179.1	-73.7	-67.4	0	0	0	112.1	W38 I55 F82 I85 L86 T94 L95 T100 L101 I102	W38-I98 HydrophobicContact CH2-CD1 3.44Å; W38-I98 VanDerWaalsContact CH2-CD1 3.44Å; W38-I98 HydrophobicContact CH2-CG1 3.94Å; W38-I98 HydrophobicContact CZ2-CD1 4.09Å; W38-I98 HydrophobicContact CZ3-CD1 4.34Å; I55-I98 HydrophobicContact CD1-CD1 4.31Å; F82-I98 HydrophobicContact CD1-CD1 4.31Å; F82-I98 HydrophobicContact CD1-CG2 3.99Å; F82-I98 HydrophobicContact CE1-CD1 4.19Å; I85-I98 HydrophobicContact CD1-CD1 4.18Å; I85-I98 HydrophobicContact CG2-CB 4.45Å; I85-I98 HydrophobicContact CG2-CD1 3.94Å; I85-I98 HydrophobicContact CG2-CG1 3.63Å; I85-I98 HydrophobicContact CG2-CG2 4.29Å; L86-I98 HydrophobicContact CD2-CB 4.45Å; L86-I98 HydrophobicContact CD2-CG2 3.58Å; L86-I98 HydrophobicContact CG-CG2 3.85Å; T94-I98 HydrophobicContact CG2-CG1 4.35Å; T94-I98 WeakPolarHBondContact O-CB 3.42Å; T94-I98 VanDerWaalsContact O-CG1 3.27Å; T94-I98 WeakPolarHBondContact O-CG1 3.38Å; T94-I98 PolarHBondContact O-N 3.47Å; L95-I98 PolarHBondContact O-N 3.48Å; I98-T100 VanDerWaalsContact C-N 3.25Å; I98-T100 PolarHBondContact O-N 3.24Å; I98-L101 HydrophobicContact CD1-CD1 4.47Å; I98-L101 PolarHBondContact O-N 3.17Å; I98-I102 HydrophobicContact CG2-CD1 4.02Å; I98-I102 WeakPolarHBondContact O-CG1 3.48Å; I98-I102 PolarHBondContact O-N 3.33Å
99	L	97	Very high	95	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.4	-36.5	174.8	-69.5	170	0	0	0	111.2	L86 L95 D103 F131 F134 C142 Q145 A146 I149	L86-L99 HydrophobicContact CD1-CD2 4.47Å; L86-L99 HydrophobicContact CD2-CD2 3.74Å; L86-L99 HydrophobicContact CD2-CG 3.99Å; L95-L99 WeakPolarHBondContact O-CB 3.44Å; L95-L99 VanDerWaalsContact O-CG 3.3Å; L95-L99 WeakPolarHBondContact O-CG 3.4Å; L95-L99 PolarHBondContact O-N 2.91Å; L99-D103 VanDerWaalsContact O-CB 3.23Å; L99-D103 WeakPolarHBondContact O-CB 3.3Å; L99-D103 PolarHBondContact O-N 3.4Å; L99-D103 VanDerWaalsContact O-N 3.12Å; L99-F131 HydrophobicContact CD2-CD1 4.38Å; L99-F131 HydrophobicContact CD2-CE1 4.29Å; L99-F134 HydrophobicContact CD1-CD1 4.12Å; L99-F134 HydrophobicContact CD1-CE1 3.87Å; L99-F134 HydrophobicContact CD1-CZ 4.24Å; L99-F134 HydrophobicContact CD2-CE2 4.39Å; L99-F134 HydrophobicContact CD2-CZ 4.4Å; L99-C142 HydrophobicContact CD1-CB 3.66Å; L99-Q145 HydrophobicContact CB-CB 4.28Å; L99-Q145 HydrophobicContact CB-CG 3.64Å; L99-Q145 PolarHBondContact O-NE2 3.35Å; L99-A146 HydrophobicContact CD2-CB 4.3Å; L99-I149 HydrophobicContact CB-CD1 4.18Å; L99-I149 HydrophobicContact CD2-CD1 3.77Å; L99-I149 WeakPolarHBondContact O-CD1 3.41Å
100	T	96.9	Very high	95.2	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	21%	0.211	C	C	.	.	H	α-helix	trans	-65.3	-44.9	174.3	-55.5	0	0	0	0	111.4	A28 R32 R96 Y97 I98 I102 D103 D104	A28-T100 HydrophobicContact CB-CG2 4.18Å; R32-T100 HydrophobicContact CG-CG2 3.74Å; R96-T100 WeakPolarHBondContact O-CB 3.41Å; R96-T100 PolarHBondContact O-N 3.41Å; R96-T100 PolarHBondContact O-OG1 3.23Å; Y97-T100 WeakPolarHBondContact O-CB 2.87Å; Y97-T100 PolarHBondContact O-N 3.36Å; Y97-T100 VanDerWaalsContact O-N 3.16Å; I98-T100 VanDerWaalsContact C-N 3.25Å; I98-T100 PolarHBondContact O-N 3.24Å; T100-I102 PolarHBondContact O-N 2.93Å; T100-D103 PolarHBondContact O-N 2.91Å; T100-D104 WeakPolarHBondContact O-CB 3.41Å; T100-D104 VanDerWaalsContact O-CG 3.3Å; T100-D104 PolarHBondContact O-N 3.24Å
101	L	96	Very high	95.4	Very high	27 Å²	27	44.3 Å²	44.3	14%	0.141	21%	0.207	C	C	.	.	H	α-helix	trans	-62.3	-42.8	177.2	-77.2	-175.8	0	0	0	113.1	F82 Y97 I98 D103 D104 M105	F82-L101 HydrophobicContact CE1-CB 3.93Å; F82-L101 HydrophobicContact CE1-CD1 4.48Å; F82-L101 HydrophobicContact CZ-CB 4.19Å; Y97-L101 HydrophobicContact CD1-CD1 3.77Å; Y97-L101 HydrophobicContact CD1-CG 4.12Å; Y97-L101 HydrophobicContact CE1-CD1 3.35Å; Y97-L101 HydrophobicContact CE1-CD2 4.36Å; Y97-L101 HydrophobicContact CE1-CG 3.83Å; Y97-L101 PolarHBondContact O-N 3.42Å; I98-L101 HydrophobicContact CD1-CD1 4.47Å; I98-L101 PolarHBondContact O-N 3.17Å; L101-D103 VanDerWaalsContact C-N 3.32Å; L101-D103 PolarHBondContact O-N 2.98Å; L101-D104 PolarHBondContact O-N 3.46Å; L101-M105 VanDerWaalsContact O-CB 3.23Å; L101-M105 WeakPolarHBondContact O-CB 3.47Å; L101-M105 PolarHBondContact O-N 3.35Å
102	I	97.2	Very high	95.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.3	-50.2	176.4	-69.1	167	0	0	0	109.3	F82 L86 I98 T100 D104 M105 L106 F116 I149	F82-I102 HydrophobicContact CB-CD1 4.06Å; F82-I102 HydrophobicContact CB-CG1 4.15Å; F82-I102 HydrophobicContact CD1-CD1 3.86Å; F82-I102 HydrophobicContact CD1-CG1 3.39Å; F82-I102 HydrophobicContact CD2-CG1 4.4Å; F82-I102 HydrophobicContact CE1-CG1 3.76Å; F82-I102 HydrophobicContact CG-CD1 4.17Å; F82-I102 HydrophobicContact CG-CG1 3.75Å; F82-I102 HydrophobicContact CZ-CG1 4.41Å; L86-I102 HydrophobicContact CD1-CD1 3.61Å; L86-I102 HydrophobicContact CG-CD1 4.24Å; I98-I102 HydrophobicContact CG2-CD1 4.02Å; I98-I102 WeakPolarHBondContact O-CG1 3.48Å; I98-I102 PolarHBondContact O-N 3.33Å; T100-I102 PolarHBondContact O-N 2.93Å; I102-D104 PolarHBondContact O-N 3.41Å; I102-M105 PolarHBondContact O-N 3.39Å; I102-L106 HydrophobicContact CG2-CD1 4.16Å; I102-L106 HydrophobicContact CG2-CG 4.44Å; I102-L106 VanDerWaalsContact O-CG 3.29Å; I102-L106 WeakPolarHBondContact O-CG 3.42Å; I102-L106 PolarHBondContact O-N 3.28Å; I102-F116 HydrophobicContact CG2-CZ 4.42Å; I102-I149 HydrophobicContact CB-CD1 4.13Å; I102-I149 HydrophobicContact CG2-CD1 3.98Å; I102-I149 HydrophobicContact CG2-CG1 4.3Å; I102-I149 HydrophobicContact CG2-CG2 4.01Å
103	D	96.8	Very high	95.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.9	-39.9	-177.4	170.8	60.2	0	0	0	113.6	L99 T100 L101 L106 Q107 Q145 R148 I149 K152	L99-D103 VanDerWaalsContact O-CB 3.23Å; L99-D103 WeakPolarHBondContact O-CB 3.3Å; L99-D103 PolarHBondContact O-N 3.4Å; L99-D103 VanDerWaalsContact O-N 3.12Å; T100-D103 PolarHBondContact O-N 2.91Å; L101-D103 VanDerWaalsContact C-N 3.32Å; L101-D103 PolarHBondContact O-N 2.98Å; D103-L106 PolarHBondContact O-N 3.31Å; D103-Q107 WeakPolarHBondContact O-CB 3.41Å; D103-Q107 PolarHBondContact O-N 3.2Å; D103-Q145 PolarHBondContact OD2-NE2 2.64Å; D103-R148 IonicContact OD1-CZ 3.59Å; D103-R148 IonicContact OD1-NE 3.65Å; D103-R148 PolarHBondContact OD1-NE 2.94Å; D103-R148 IonicContact OD1-NH2 2.96Å; D103-R148 PolarHBondContact OD1-NH2 2.85Å; D103-R148 IonicContact OD2-CZ 2.75Å; D103-R148 IonicContact OD2-NE 3.53Å; D103-R148 PolarHBondContact OD2-NE 3.42Å; D103-R148 IonicContact OD2-NH1 3.65Å; D103-R148 IonicContact OD2-NH2 3.19Å; D103-R148 PolarHBondContact OD2-NH2 2.66Å; D103-I149 HydrophobicContact CB-CD1 4.22Å; D103-I149 HydrophobicContact CB-CG1 3.84Å; D103-K152 PolarHBondContact O-NZ 3.12Å; D103-K152 WeakPolarHBondContact OD1-CE 3.45Å; D103-K152 IonicContact OD1-NZ 3.2Å; D103-K152 PolarHBondContact OD1-NZ 3.46Å
104	D	94.9	Very high	96	Very high	31 Å²	31	31.4 Å²	31.4	17%	0.166	15%	0.148	C	C	.	.	H	α-helix	trans	-64	-46.9	173.3	-75.5	-18.2	0	0	0	111.2	R32 T100 L101 I102 L106 Q107 E108	R32-D104 WeakPolarHBondContact CD-OD2 3.25Å; R32-D104 IonicContact CZ-OD1 3.69Å; R32-D104 IonicContact CZ-OD2 3.63Å; R32-D104 IonicContact NE-OD1 3.96Å; R32-D104 PolarHBondContact NE-OD1 3.14Å; R32-D104 IonicContact NE-OD2 3.69Å; R32-D104 PolarHBondContact NE-OD2 2.95Å; R32-D104 IonicContact NH2-OD1 2.76Å; R32-D104 PolarHBondContact NH2-OD1 3.42Å; R32-D104 IonicContact NH2-OD2 2.81Å; T100-D104 WeakPolarHBondContact O-CB 3.41Å; T100-D104 VanDerWaalsContact O-CG 3.3Å; T100-D104 PolarHBondContact O-N 3.24Å; L101-D104 PolarHBondContact O-N 3.46Å; I102-D104 PolarHBondContact O-N 3.41Å; D104-L106 VanDerWaalsContact C-N 3.3Å; D104-L106 PolarHBondContact O-N 2.74Å; D104-Q107 WeakPolarHBondContact O-CA 3.31Å; D104-Q107 WeakPolarHBondContact O-CB 3.44Å; D104-Q107 PolarHBondContact O-N 2.97Å; D104-E108 WeakPolarHBondContact O-CG 3.37Å; D104-E108 PolarHBondContact O-N 3.37Å
105	M	95.5	Very high	96.1	Very high	7 Å²	7	31.9 Å²	31.9	3%	0.034	15%	0.15	C	C	.	.	H	α-helix	trans	-58.2	-43.9	177.6	177.5	-179.3	65.4	0	0	111.2	I71 T78 F82 L101 I102 Q107 E108 D109 R112 F116	I71-M105 HydrophobicContact CD1-CG 3.52Å; I71-M105 HydrophobicContact CD1-SD 3.37Å; I71-M105 WeakPolarHBondContact CD1-SD 3.4Å; I71-M105 HydrophobicContact CG1-SD 3.82Å; T78-M105 HydrophobicContact CG2-CE 4.12Å; T78-M105 HydrophobicContact CG2-SD 3.79Å; F82-M105 HydrophobicContact CD2-CE 4.13Å; F82-M105 HydrophobicContact CE2-CE 3.83Å; F82-M105 HydrophobicContact CE2-SD 3.99Å; L101-M105 VanDerWaalsContact O-CB 3.23Å; L101-M105 WeakPolarHBondContact O-CB 3.47Å; L101-M105 PolarHBondContact O-N 3.35Å; I102-M105 PolarHBondContact O-N 3.39Å; M105-Q107 VanDerWaalsContact C-N 3.32Å; M105-E108 PolarHBondContact O-N 2.71Å; M105-D109 PolarHBondContact O-N 2.94Å; M105-R112 VanDerWaalsContact O-CD 3.28Å; M105-R112 WeakPolarHBondContact O-CD 3.36Å; M105-R112 PolarHBondContact O-NH1 3.45Å; M105-F116 HydrophobicContact CE-CE2 3.43Å; M105-F116 VanDerWaalsContact CE-CE2 3.43Å; M105-F116 HydrophobicContact CE-CZ 3.62Å
106	L	96.2	Very high	96.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.9	-33.9	175.3	-65.1	-178.8	0	0	0	112	I102 D103 D104 D109 K110 R112 V113 F116 I149 K152 F153 W156	I102-L106 HydrophobicContact CG2-CD1 4.16Å; I102-L106 HydrophobicContact CG2-CG 4.44Å; I102-L106 VanDerWaalsContact O-CG 3.29Å; I102-L106 WeakPolarHBondContact O-CG 3.42Å; I102-L106 PolarHBondContact O-N 3.28Å; D103-L106 PolarHBondContact O-N 3.31Å; D104-L106 VanDerWaalsContact C-N 3.3Å; D104-L106 PolarHBondContact O-N 2.74Å; L106-D109 CarbonylContact O-C 3.6Å; L106-D109 VanDerWaalsContact O-C 3.24Å; L106-K110 PolarHBondContact O-N 3.5Å; L106-R112 HydrophobicContact CD2-CB 3.98Å; L106-V113 HydrophobicContact CD1-CG1 4.24Å; L106-V113 HydrophobicContact CD2-CB 4.44Å; L106-V113 HydrophobicContact CD2-CG1 3.7Å; L106-V113 HydrophobicContact CG-CG1 4.44Å; L106-F116 HydrophobicContact CD2-CE2 4.4Å; L106-I149 HydrophobicContact CD1-CG2 4.23Å; L106-K152 HydrophobicContact CB-CD 4.18Å; L106-K152 HydrophobicContact CD1-CB 4.28Å; L106-K152 HydrophobicContact CD1-CD 4.37Å; L106-F153 HydrophobicContact CD1-CD1 4.45Å; L106-F153 HydrophobicContact CD1-CE1 3.97Å; L106-F153 HydrophobicContact CD1-CE2 4.47Å; L106-F153 HydrophobicContact CD1-CZ 3.98Å; L106-F153 HydrophobicContact CD2-CE1 4.3Å; L106-W156 HydrophobicContact CB-CZ3 4.01Å; L106-W156 VanDerWaalsContact O-CZ3 3.23Å; L106-W156 WeakPolarHBondContact O-CZ3 3.26Å
107	Q	94.2	Very high	96.1	Very high	107 Å²	107	31.3 Å²	31.3	50%	0.5	15%	0.148	S	C	.	.	H	α-helix	trans	-66.6	-37.5	178.3	-170.3	62.6	38.2	0	0	112.5	D103 D104 M105	D103-Q107 WeakPolarHBondContact O-CB 3.41Å; D103-Q107 PolarHBondContact O-N 3.2Å; D104-Q107 WeakPolarHBondContact O-CA 3.31Å; D104-Q107 WeakPolarHBondContact O-CB 3.44Å; D104-Q107 PolarHBondContact O-N 2.97Å; M105-Q107 VanDerWaalsContact C-N 3.32Å
108	E	95	Very high	96	Very high	66 Å²	66	33.3 Å²	33.3	31%	0.308	16%	0.16	S	C	.	.	H	α-helix	trans	-66.5	-37.1	178.3	-72.8	169.3	-175.5	0	0	112.9	A64 R67 D104 M105 R112	A64-E108 HydrophobicContact CB-CG 4.12Å; R67-E108 IonicContact CZ-OE1 3.16Å; R67-E108 IonicContact NE-OE1 3.8Å; R67-E108 PolarHBondContact NE-OE1 2.98Å; R67-E108 IonicContact NE-OE2 2.93Å; R67-E108 IonicContact NH2-OE1 2.62Å; R67-E108 PolarHBondContact NH2-OE1 3.35Å; D104-E108 WeakPolarHBondContact O-CG 3.37Å; D104-E108 PolarHBondContact O-N 3.37Å; M105-E108 PolarHBondContact O-N 2.71Å; E108-R112 IonicContact OE2-CZ 3.68Å; E108-R112 IonicContact OE2-NH1 2.94Å; E108-R112 PolarHBondContact OE2-NH1 3.48Å; E108-R112 IonicContact OE2-NH2 3.67Å
109	D	95.3	Very high	96	Very high	42 Å²	42	35.4 Å²	35.4	23%	0.225	17%	0.168	C	C	.	.			trans	-148.7	110.1	176.1	-178.9	-2.4	0	0	0	109.9	M105 L106 L111 R112	M105-D109 PolarHBondContact O-N 2.94Å; L106-D109 CarbonylContact O-C 3.6Å; L106-D109 VanDerWaalsContact O-C 3.24Å; D109-L111 PolarHBondContact O-N 3.44Å; D109-L111 WeakPolarHBondContact OD1-CB 3.39Å; D109-L111 PolarHBondContact OD1-N 3.36Å; D109-R112 HydrophobicContact CB-CG 3.93Å; D109-R112 WeakPolarHBondContact O-CB 3.44Å; D109-R112 WeakPolarHBondContact O-CG 3.31Å; D109-R112 PolarHBondContact O-N 3.16Å; D109-R112 VanDerWaalsContact O-N 3.07Å
110	K	94.7	Very high	95.8	Very high	120 Å²	120	35.7 Å²	35.7	52%	0.522	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-59.6	-28.5	-178.7	-63.8	-177.1	-178.5	173.6	0	112.3	L106 R112 V113 W156	L106-K110 PolarHBondContact O-N 3.5Å; K110-R112 PolarHBondContact O-N 2.93Å; K110-V113 WeakPolarHBondContact O-CG2 3.37Å; K110-V113 PolarHBondContact O-N 3.29Å; K110-W156 HydrophobicContact CB-CB 4.39Å; K110-W156 HydrophobicContact CB-CD2 4.09Å; K110-W156 HydrophobicContact CB-CE3 3.97Å; K110-W156 HydrophobicContact CB-CG 4.29Å; K110-W156 HydrophobicContact CD-CD2 4.08Å; K110-W156 HydrophobicContact CD-CG 4.3Å; K110-W156 HydrophobicContact CD-CZ2 4.38Å; K110-W156 HydrophobicContact CG-CD2 3.84Å; K110-W156 HydrophobicContact CG-CE3 3.81Å; K110-W156 HydrophobicContact CG-CG 4.36Å; K110-W156 HydrophobicContact CG-CH2 4.22Å; K110-W156 HydrophobicContact CG-CZ2 4.29Å; K110-W156 HydrophobicContact CG-CZ3 4Å
111	L	95.4	Very high	95.6	Very high	123 Å²	123	39.8 Å²	39.8	64%	0.644	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-68.8	-15.9	-179.7	-63.7	176.4	0	0	0	112.6	D109 V113 E114	D109-L111 PolarHBondContact O-N 3.44Å; D109-L111 WeakPolarHBondContact OD1-CB 3.39Å; D109-L111 PolarHBondContact OD1-N 3.36Å; L111-V113 PolarHBondContact O-N 2.69Å; L111-V113 VanDerWaalsContact O-N 3.15Å; L111-E114 WeakPolarHBondContact O-CB 3.47Å; L111-E114 WeakPolarHBondContact O-CG 3.46Å; L111-E114 PolarHBondContact O-N 2.87Å
112	R	96.7	Very high	95.4	Very high	9 Å²	9	45.8 Å²	45.8	3%	0.034	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-66.1	-14	176.8	-66.2	175.4	-177.3	164.8	-2.2	113.4	N68 M105 L106 E108 D109 K110 E114 I115	N68-R112 VanDerWaalsContact CB-NH2 3.28Å; N68-R112 PolarHBondContact OD1-NH2 3.5Å; M105-R112 VanDerWaalsContact O-CD 3.28Å; M105-R112 WeakPolarHBondContact O-CD 3.36Å; M105-R112 PolarHBondContact O-NH1 3.45Å; L106-R112 HydrophobicContact CD2-CB 3.98Å; E108-R112 IonicContact OE2-CZ 3.68Å; E108-R112 IonicContact OE2-NH1 2.94Å; E108-R112 PolarHBondContact OE2-NH1 3.48Å; E108-R112 IonicContact OE2-NH2 3.67Å; D109-R112 HydrophobicContact CB-CG 3.93Å; D109-R112 WeakPolarHBondContact O-CB 3.44Å; D109-R112 WeakPolarHBondContact O-CG 3.31Å; D109-R112 PolarHBondContact O-N 3.16Å; D109-R112 VanDerWaalsContact O-N 3.07Å; K110-R112 PolarHBondContact O-N 2.93Å; R112-E114 PolarHBondContact O-N 2.9Å; R112-I115 HydrophobicContact CB-CD1 4.1Å; R112-I115 HydrophobicContact CG-CD1 4.03Å; R112-I115 WeakPolarHBondContact O-CB 3.3Å; R112-I115 PolarHBondContact O-N 2.83Å
113	V	96.9	Very high	95.1	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.006	24%	0.238	C	C	.	.	H	α-helix	trans	-58.2	-32.2	168.1	-63.9	0	0	0	0	112.1	L106 K110 L111 I115 F116 R117 F153 W156	L106-V113 HydrophobicContact CD1-CG1 4.24Å; L106-V113 HydrophobicContact CD2-CB 4.44Å; L106-V113 HydrophobicContact CD2-CG1 3.7Å; L106-V113 HydrophobicContact CG-CG1 4.44Å; K110-V113 WeakPolarHBondContact O-CG2 3.37Å; K110-V113 PolarHBondContact O-N 3.29Å; L111-V113 PolarHBondContact O-N 2.69Å; L111-V113 VanDerWaalsContact O-N 3.15Å; V113-I115 VanDerWaalsContact C-N 3.27Å; V113-I115 PolarHBondContact O-N 3.37Å; V113-F116 PolarHBondContact O-N 2.98Å; V113-R117 PolarHBondContact O-N 3.37Å; V113-R117 VanDerWaalsContact O-N 3.07Å; V113-F153 HydrophobicContact CB-CD1 3.8Å; V113-F153 HydrophobicContact CB-CE1 4.17Å; V113-F153 HydrophobicContact CG1-CD1 3.8Å; V113-F153 HydrophobicContact CG1-CE1 4.18Å; V113-W156 HydrophobicContact CG1-CB 4Å; V113-W156 HydrophobicContact CG1-CE3 4.07Å; V113-W156 HydrophobicContact CG2-CB 4.02Å; V113-W156 WeakPolarHBondContact CG2-O 3.39Å
114	E	97.1	Very high	94.6	Very high	32 Å²	32	57.1 Å²	57.1	15%	0.15	28%	0.278	C	S	.	.	H	α-helix	trans	-70	-27	-178.1	-55.1	-65.8	-141.4	0	0	112.2	L111 R112 F116 R117 D118 S158	L111-E114 WeakPolarHBondContact O-CB 3.47Å; L111-E114 WeakPolarHBondContact O-CG 3.46Å; L111-E114 PolarHBondContact O-N 2.87Å; R112-E114 PolarHBondContact O-N 2.9Å; E114-F116 VanDerWaalsContact C-N 3.32Å; E114-F116 PolarHBondContact O-N 3.42Å; E114-R117 VanDerWaalsContact CD-CZ 3.44Å; E114-R117 PolarHBondContact O-N 3.27Å; E114-R117 IonicContact OE1-CZ 2.94Å; E114-R117 IonicContact OE1-NH1 3.51Å; E114-R117 PolarHBondContact OE1-NH1 3.1Å; E114-R117 IonicContact OE1-NH2 3.31Å; E114-R117 WeakPolarHBondContact OE2-CD 3.13Å; E114-R117 IonicContact OE2-CZ 3.69Å; E114-R117 IonicContact OE2-NE 3.9Å; E114-R117 PolarHBondContact OE2-NE 3.2Å; E114-R117 IonicContact OE2-NH1 2.89Å; E114-R117 PolarHBondContact OE2-NH1 3.48Å; E114-R117 IonicContact OE2-NH2 3.37Å; E114-D118 VanDerWaalsContact O-CB 3.29Å; E114-D118 WeakPolarHBondContact O-CB 3.4Å; E114-D118 PolarHBondContact O-N 2.64Å; E114-S158 VanDerWaalsContact OE1-CB 3.28Å; E114-S158 WeakPolarHBondContact OE1-CB 3.11Å; E114-S158 PolarHBondContact OE1-N 3.37Å; E114-S158 PolarHBondContact OE1-OG 3.4Å
115	I	97.1	Very high	94.3	Very high	13 Å²	13	60.3 Å²	60.3	7%	0.067	29%	0.292	C	S	.	.	H	α-helix	trans	-59	-45.7	173.1	-61.3	174.5	0	0	0	110.5	I71 E75 A79 R112 V113 Y119	I71-I115 HydrophobicContact CG2-CD1 3.61Å; E75-I115 HydrophobicContact CB-CD1 4.14Å; E75-I115 HydrophobicContact CB-CG1 4.07Å; E75-I115 HydrophobicContact CB-CG2 3.89Å; E75-I115 HydrophobicContact CG-CD1 3.91Å; E75-I115 HydrophobicContact CG-CG1 4.17Å; E75-I115 WeakPolarHBondContact O-CG2 3.06Å; A79-I115 HydrophobicContact CB-CG2 4.15Å; R112-I115 HydrophobicContact CB-CD1 4.1Å; R112-I115 HydrophobicContact CG-CD1 4.03Å; R112-I115 WeakPolarHBondContact O-CB 3.3Å; R112-I115 PolarHBondContact O-N 2.83Å; V113-I115 VanDerWaalsContact C-N 3.27Å; V113-I115 PolarHBondContact O-N 3.37Å; I115-Y119 WeakPolarHBondContact O-CB 3.23Å; I115-Y119 PolarHBondContact O-N 3.17Å; I115-Y119 VanDerWaalsContact O-N 3.13Å
116	F	97	Very high	94.1	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-72.4	-44.5	178.1	-68.6	-94.8	0	0	0	111.1	A79 F82 I83 I102 M105 L106 V113 E114 D118 Y119 F120 L127 F153	A79-F116 HydrophobicContact CB-CD1 3.95Å; A79-F116 HydrophobicContact CB-CE1 4.22Å; A79-F116 HydrophobicContact CB-CG 4.32Å; F82-F116 HydrophobicContact CB-CE1 4.05Å; F82-F116 HydrophobicContact CB-CZ 4.26Å; F82-F116 HydrophobicContact CD2-CZ 4.14Å; F82-F116 HydrophobicContact CG-CZ 4.46Å; I83-F116 HydrophobicContact CD1-CD1 4.17Å; I83-F116 HydrophobicContact CD1-CE1 4.25Å; I83-F116 HydrophobicContact CG1-CD1 4.2Å; I83-F116 HydrophobicContact CG1-CE1 4.29Å; I102-F116 HydrophobicContact CG2-CZ 4.42Å; M105-F116 HydrophobicContact CE-CE2 3.43Å; M105-F116 VanDerWaalsContact CE-CE2 3.43Å; M105-F116 HydrophobicContact CE-CZ 3.62Å; L106-F116 HydrophobicContact CD2-CE2 4.4Å; V113-F116 PolarHBondContact O-N 2.98Å; E114-F116 VanDerWaalsContact C-N 3.32Å; E114-F116 PolarHBondContact O-N 3.42Å; F116-D118 VanDerWaalsContact C-N 3.3Å; F116-D118 PolarHBondContact O-N 3.28Å; F116-Y119 WeakPolarHBondContact O-CB 3.27Å; F116-Y119 PolarHBondContact O-N 3.47Å; F116-F120 WeakPolarHBondContact O-CD2 3.38Å; F116-F120 PolarHBondContact O-N 3.28Å; F116-L127 HydrophobicContact CB-CD1 4.14Å; F116-F153 HydrophobicContact CB-CE1 3.63Å; F116-F153 HydrophobicContact CB-CZ 3.86Å; F116-F153 HydrophobicContact CD1-CZ 4.08Å; F116-F153 AromaticContact CD2-CE1 3.73Å; F116-F153 HydrophobicContact CD2-CE1 3.73Å; F116-F153 AromaticContact CD2-CZ 3.81Å; F116-F153 HydrophobicContact CD2-CZ 3.81Å; F116-F153 HydrophobicContact CE2-CZ 4.36Å; F116-F153 AromaticContact CG-CE1 3.76Å; F116-F153 HydrophobicContact CG-CE1 3.76Å; F116-F153 AromaticContact CG-CZ 3.64Å; F116-F153 HydrophobicContact CG-CZ 3.64Å
117	R	94.7	Very high	94	Very high	59 Å²	59	63.2 Å²	63.2	22%	0.223	31%	0.311	C	S	.	.	H	α-helix	trans	-54.2	-49	176.6	-175.3	-155.1	65.9	-154.9	-14.8	111.2	V113 E114 Y119 F120 S121 S158	V113-R117 PolarHBondContact O-N 3.37Å; V113-R117 VanDerWaalsContact O-N 3.07Å; E114-R117 VanDerWaalsContact CD-CZ 3.44Å; E114-R117 PolarHBondContact O-N 3.27Å; E114-R117 IonicContact OE1-CZ 2.94Å; E114-R117 IonicContact OE1-NH1 3.51Å; E114-R117 PolarHBondContact OE1-NH1 3.1Å; E114-R117 IonicContact OE1-NH2 3.31Å; E114-R117 WeakPolarHBondContact OE2-CD 3.13Å; E114-R117 IonicContact OE2-CZ 3.69Å; E114-R117 IonicContact OE2-NE 3.9Å; E114-R117 PolarHBondContact OE2-NE 3.2Å; E114-R117 IonicContact OE2-NH1 2.89Å; E114-R117 PolarHBondContact OE2-NH1 3.48Å; E114-R117 IonicContact OE2-NH2 3.37Å; R117-Y119 VanDerWaalsContact C-N 3.34Å; R117-Y119 PolarHBondContact O-N 2.94Å; R117-F120 PolarHBondContact O-N 3.49Å; R117-S121 WeakPolarHBondContact O-CB 3.3Å; R117-S121 PolarHBondContact O-N 3.1Å; R117-S158 PolarHBondContact NH1-OG 3.41Å
118	D	95.1	Very high	94	Very high	62 Å²	62	59.3 Å²	59.3	33%	0.332	29%	0.292	S	S	.	.	H	α-helix	trans	-66.7	-36.8	-178.2	-71.5	-2.9	0	0	0	112.1	E114 F116 K122	E114-D118 VanDerWaalsContact O-CB 3.29Å; E114-D118 WeakPolarHBondContact O-CB 3.4Å; E114-D118 PolarHBondContact O-N 2.64Å; F116-D118 VanDerWaalsContact C-N 3.3Å; F116-D118 PolarHBondContact O-N 3.28Å; D118-K122 WeakPolarHBondContact O-CD 3.46Å; D118-K122 VanDerWaalsContact O-CG 3.26Å; D118-K122 WeakPolarHBondContact O-CG 3.45Å; D118-K122 PolarHBondContact O-N 2.61Å; D118-K122 VanDerWaalsContact O-N 3.14Å
119	Y	95.6	Very high	93.9	Very high	43 Å²	43	59.1 Å²	59.1	17%	0.169	30%	0.298	C	S	.	.	H	α-helix	trans	-59.3	-50.4	172.4	173.7	-95.6	0	0	0	111.5	N76 A79 R80 I83 I115 F116 R117 K122 S123	N76-Y119 WeakPolarHBondContact OD1-CD2 3.26Å; A79-Y119 HydrophobicContact CB-CD1 4.04Å; A79-Y119 HydrophobicContact CB-CD2 3.98Å; A79-Y119 HydrophobicContact CB-CG 3.56Å; R80-Y119 HydrophobicContact CB-CD2 4.4Å; R80-Y119 HydrophobicContact CB-CE2 3.66Å; R80-Y119 HydrophobicContact CG-CE2 4.08Å; I83-Y119 HydrophobicContact CB-CE1 4.47Å; I83-Y119 HydrophobicContact CG1-CE1 4.44Å; I83-Y119 HydrophobicContact CG2-CE1 4.49Å; I115-Y119 WeakPolarHBondContact O-CB 3.23Å; I115-Y119 PolarHBondContact O-N 3.17Å; I115-Y119 VanDerWaalsContact O-N 3.13Å; F116-Y119 WeakPolarHBondContact O-CB 3.27Å; F116-Y119 PolarHBondContact O-N 3.47Å; R117-Y119 VanDerWaalsContact C-N 3.34Å; R117-Y119 PolarHBondContact O-N 2.94Å; Y119-K122 PolarHBondContact O-N 3.39Å; Y119-S123 PolarHBondContact O-N 2.96Å; Y119-S123 PolarHBondContact O-OG 3.43Å
120	F	94.2	Very high	93.8	Very high	6 Å²	6	58.3 Å²	58.3	3%	0.026	29%	0.293	C	S	.	.	H	α-helix	trans	-70.4	-35	-178.8	-79.5	-69.9	0	0	0	113.5	I83 F116 R117 K122 S123 K124 E125 L127 H130	I83-F120 HydrophobicContact CB-CZ 4.28Å; I83-F120 HydrophobicContact CD1-CE2 3.74Å; I83-F120 HydrophobicContact CD1-CZ 3.6Å; I83-F120 HydrophobicContact CG1-CE2 3.73Å; I83-F120 HydrophobicContact CG1-CZ 3.54Å; I83-F120 HydrophobicContact CG2-CE1 4.32Å; I83-F120 HydrophobicContact CG2-CZ 3.78Å; F116-F120 WeakPolarHBondContact O-CD2 3.38Å; F116-F120 PolarHBondContact O-N 3.28Å; R117-F120 PolarHBondContact O-N 3.49Å; F120-K122 VanDerWaalsContact C-N 3.29Å; F120-K122 PolarHBondContact O-N 2.95Å; F120-S123 WeakPolarHBondContact CA-OG 3.42Å; F120-S123 PolarHBondContact O-N 2.85Å; F120-S123 PolarHBondContact O-OG 3.34Å; F120-K124 PolarHBondContact O-N 2.85Å; F120-E125 HydrophobicContact CD1-CB 3.9Å; F120-E125 HydrophobicContact CE1-CB 4.31Å; F120-E125 PolarHBondContact O-N 3.34Å; F120-L127 HydrophobicContact CB-CB 4.2Å; F120-L127 HydrophobicContact CD2-CB 3.77Å; F120-L127 HydrophobicContact CD2-CD1 3.3Å; F120-L127 HydrophobicContact CD2-CG 4.11Å; F120-L127 HydrophobicContact CE2-CB 4.29Å; F120-L127 HydrophobicContact CE2-CD1 3.29Å; F120-L127 HydrophobicContact CE2-CG 4.37Å; F120-L127 HydrophobicContact CG-CB 3.91Å; F120-L127 HydrophobicContact CG-CD1 4.3Å; F120-L127 HydrophobicContact CZ-CD1 4.27Å; F120-H130 AromaticContact CE1-CE1 3.35Å; F120-H130 WeakPolarHBondContact CE1-CE1 3.37Å; F120-H130 AromaticContact CE1-ND1 3.39Å; F120-H130 WeakPolarHBondContact CE1-ND1 3.43Å; F120-H130 AromaticContact CE1-NE2 3.96Å; F120-H130 AromaticContact CZ-CE1 3.95Å; F120-H130 AromaticContact CZ-CG 3.89Å; F120-H130 AromaticContact CZ-ND1 3.67Å
121	S	91.6	Very high	93.9	Very high	88 Å²	88	52.6 Å²	52.6	62%	0.615	27%	0.268	S	S	*	.	H	α-helix	trans	-60.2	-41	172.8	-175.3	0	0	0	0	111.5	R117	R117-S121 WeakPolarHBondContact O-CB 3.3Å; R117-S121 PolarHBondContact O-N 3.1Å
122	K	92.7	Very high	93.9	Very high	152 Å²	152	47.6 Å²	47.6	66%	0.661	24%	0.241	S	C	*	.	H	α-helix	trans	-71.8	-40	177.2	-71.3	168.9	-172.7	167.8	0	112.8	D118 Y119 F120 K124	D118-K122 WeakPolarHBondContact O-CD 3.46Å; D118-K122 VanDerWaalsContact O-CG 3.26Å; D118-K122 WeakPolarHBondContact O-CG 3.45Å; D118-K122 PolarHBondContact O-N 2.61Å; D118-K122 VanDerWaalsContact O-N 3.14Å; Y119-K122 PolarHBondContact O-N 3.39Å; F120-K122 VanDerWaalsContact C-N 3.29Å; F120-K122 PolarHBondContact O-N 2.95Å; K122-K124 VanDerWaalsContact C-N 3.26Å; K122-K124 PolarHBondContact O-N 3.02Å
123	S	89.7	Confident	93.7	Very high	44 Å²	44	48.7 Å²	48.7	31%	0.308	26%	0.255	S	S	.	.	H	α-helix	trans	-76	-13.4	178.3	66.1	0	0	0	0	113.5	Y119 F120 E125	Y119-S123 PolarHBondContact O-N 2.96Å; Y119-S123 PolarHBondContact O-OG 3.43Å; F120-S123 WeakPolarHBondContact CA-OG 3.42Å; F120-S123 PolarHBondContact O-N 2.85Å; F120-S123 PolarHBondContact O-OG 3.34Å; S123-E125 PolarHBondContact O-N 3.13Å
124	K	87.6	Confident	93.7	Very high	195 Å²	195	48.8 Å²	48.8	85%	0.848	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	30.7	-173	-54.5	-177.6	179.3	-178.4	0	112.8	F120 K122	F120-K124 PolarHBondContact O-N 2.85Å; K122-K124 VanDerWaalsContact C-N 3.26Å; K122-K124 PolarHBondContact O-N 3.02Å
125	E	88.3	Confident	93.5	Very high	98 Å²	98	48.2 Å²	48.2	46%	0.458	25%	0.253	S	S	.	.			trans	-105.2	152.1	175.9	-67.6	175.6	-179.6	0	0	110.2	F120 S123 L127 H130	F120-E125 HydrophobicContact CD1-CB 3.9Å; F120-E125 HydrophobicContact CE1-CB 4.31Å; F120-E125 PolarHBondContact O-N 3.34Å; S123-E125 PolarHBondContact O-N 3.13Å; E125-L127 PolarHBondContact O-N 3.32Å; E125-H130 IonicContact OE2-CE1 3.34Å; E125-H130 IonicContact OE2-NE2 3.2Å
126	S	90.7	Very high	93.1	Very high	51 Å²	51	55.5 Å²	55.5	36%	0.357	29%	0.287	S	S	.	.			trans	-72.4	123.1	172.7	175.4	0	0	0	0	110.3	W128 S129 H130	S126-W128 PolarHBondContact O-N 2.86Å; S126-W128 PolarHBondContact OG-N 3.18Å; S126-S129 PolarHBondContact O-OG 2.86Å; S126-S129 VanDerWaalsContact O-OG 3.05Å; S126-H130 PolarHBondContact O-CE1 3.37Å; S126-H130 PolarHBondContact O-ND1 3.36Å
127	L	93.7	Very high	92	Very high	17 Å²	17	60.4 Å²	60.4	9%	0.089	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-41	170.8	168.2	68	0	0	0	110.9	F116 F120 E125 F131 F153	F116-L127 HydrophobicContact CB-CD1 4.14Å; F120-L127 HydrophobicContact CB-CB 4.2Å; F120-L127 HydrophobicContact CD2-CB 3.77Å; F120-L127 HydrophobicContact CD2-CD1 3.3Å; F120-L127 HydrophobicContact CD2-CG 4.11Å; F120-L127 HydrophobicContact CE2-CB 4.29Å; F120-L127 HydrophobicContact CE2-CD1 3.29Å; F120-L127 HydrophobicContact CE2-CG 4.37Å; F120-L127 HydrophobicContact CG-CB 3.91Å; F120-L127 HydrophobicContact CG-CD1 4.3Å; F120-L127 HydrophobicContact CZ-CD1 4.27Å; E125-L127 PolarHBondContact O-N 3.32Å; L127-F131 HydrophobicContact CD1-CE2 4Å; L127-F131 WeakPolarHBondContact O-CD2 3.32Å; L127-F153 HydrophobicContact CD1-CD2 4.29Å; L127-F153 HydrophobicContact CD1-CE2 4.1Å; L127-F153 HydrophobicContact CD1-CZ 4.3Å; L127-F153 HydrophobicContact CD2-CB 4.1Å; L127-F153 HydrophobicContact CD2-CD1 4.24Å; L127-F153 HydrophobicContact CD2-CD2 4.28Å; L127-F153 HydrophobicContact CD2-CG 3.98Å
128	W	95.4	Very high	91.3	Very high	24 Å²	24	61.2 Å²	61.2	9%	0.091	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-37.7	-166.7	-45.6	111.4	0	0	0	113.1	S126 H130 F131 F132 I150 F153 A154 M161 D165	S126-W128 PolarHBondContact O-N 2.86Å; S126-W128 PolarHBondContact OG-N 3.18Å; W128-H130 PolarHBondContact O-N 3.42Å; W128-H130 VanDerWaalsContact O-N 3.12Å; W128-F131 PolarHBondContact O-N 2.93Å; W128-F132 HydrophobicContact CB-CD2 3.91Å; W128-F132 HydrophobicContact CB-CE1 4.49Å; W128-F132 HydrophobicContact CB-CE2 3.49Å; W128-F132 VanDerWaalsContact CB-CE2 3.49Å; W128-F132 HydrophobicContact CB-CZ 3.82Å; W128-F132 HydrophobicContact CG-CE2 4.46Å; W128-F132 WeakPolarHBondContact O-CG 3.35Å; W128-F132 PolarHBondContact O-N 3Å; W128-I150 HydrophobicContact CE3-CG2 4.17Å; W128-I150 HydrophobicContact CZ3-CG2 4.22Å; W128-F153 HydrophobicContact CH2-CB 3.83Å; W128-F153 HydrophobicContact CZ3-CB 3.55Å; W128-A154 HydrophobicContact CH2-CB 4.17Å; W128-A154 HydrophobicContact CZ3-CB 4.4Å; W128-M161 HydrophobicContact CD2-CE 3.67Å; W128-M161 HydrophobicContact CD2-CG 4.35Å; W128-M161 HydrophobicContact CE3-CE 3.28Å; W128-M161 HydrophobicContact CH2-CB 4.17Å; W128-M161 HydrophobicContact CH2-CE 3.51Å; W128-M161 HydrophobicContact CH2-CG 4.32Å; W128-M161 HydrophobicContact CZ2-CB 3.77Å; W128-M161 HydrophobicContact CZ2-CE 3.88Å; W128-M161 HydrophobicContact CZ2-CG 3.82Å; W128-M161 HydrophobicContact CZ3-CE 3.17Å; W128-D165 HydrophobicContact CB-CB 4.47Å; W128-D165 HydrophobicContact CG-CB 4.14Å
129	S	92.7	Very high	91.3	Very high	63 Å²	63	58.8 Å²	58.8	44%	0.441	32%	0.319	S	S	.	.	H	α-helix	trans	-57	-31.9	-178.2	62.4	0	0	0	0	113	S126 F131 G133	S126-S129 PolarHBondContact O-OG 2.86Å; S126-S129 VanDerWaalsContact O-OG 3.05Å; S129-F131 VanDerWaalsContact C-N 3.25Å; S129-F131 PolarHBondContact O-N 3.22Å; S129-G133 PolarHBondContact O-N 3.03Å
130	H	93.2	Very high	91.2	Very high	24 Å²	24	59.7 Å²	59.7	11%	0.111	33%	0.33	C	S	.	.	H	α-helix	trans	-64.4	-27.2	176.8	-69.2	81.6	0	0	0	113.6	N87 F120 E125 S126 W128	N87-H130 PolarHBondContact ND2-CD2 3.34Å; N87-H130 PolarHBondContact ND2-NE2 3.1Å; N87-H130 VanDerWaalsContact ND2-NE2 3.12Å; N87-H130 PolarHBondContact OD1-CD2 3.18Å; F120-H130 AromaticContact CE1-CE1 3.35Å; F120-H130 WeakPolarHBondContact CE1-CE1 3.37Å; F120-H130 AromaticContact CE1-ND1 3.39Å; F120-H130 WeakPolarHBondContact CE1-ND1 3.43Å; F120-H130 AromaticContact CE1-NE2 3.96Å; F120-H130 AromaticContact CZ-CE1 3.95Å; F120-H130 AromaticContact CZ-CG 3.89Å; F120-H130 AromaticContact CZ-ND1 3.67Å; E125-H130 IonicContact OE2-CE1 3.34Å; E125-H130 IonicContact OE2-NE2 3.2Å; S126-H130 PolarHBondContact O-CE1 3.37Å; S126-H130 PolarHBondContact O-ND1 3.36Å; W128-H130 PolarHBondContact O-N 3.42Å; W128-H130 VanDerWaalsContact O-N 3.12Å
131	F	96	Very high	91.4	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-103.2	-35.9	179	-63.1	-84	0	0	0	112	I83 L86 L99 L127 W128 S129 G133 F134 A146 I149 I150 F153	I83-F131 HydrophobicContact CD1-CE2 4.22Å; I83-F131 HydrophobicContact CD1-CZ 4.13Å; L86-F131 HydrophobicContact CD1-CE1 3.85Å; L86-F131 HydrophobicContact CD1-CZ 4.08Å; L99-F131 HydrophobicContact CD2-CD1 4.38Å; L99-F131 HydrophobicContact CD2-CE1 4.29Å; L127-F131 HydrophobicContact CD1-CE2 4Å; L127-F131 WeakPolarHBondContact O-CD2 3.32Å; W128-F131 PolarHBondContact O-N 2.93Å; S129-F131 VanDerWaalsContact C-N 3.25Å; S129-F131 PolarHBondContact O-N 3.22Å; F131-G133 PolarHBondContact O-N 3.09Å; F131-F134 WeakPolarHBondContact O-CB 3.45Å; F131-F134 PolarHBondContact O-N 2.95Å; F131-A146 HydrophobicContact CD1-CB 4.38Å; F131-I149 HydrophobicContact CD1-CB 4.48Å; F131-I149 HydrophobicContact CD1-CG2 4.08Å; F131-I149 HydrophobicContact CE1-CB 4.4Å; F131-I149 HydrophobicContact CE1-CD1 4.26Å; F131-I149 HydrophobicContact CE1-CG2 3.66Å; F131-I149 HydrophobicContact CZ-CG2 4Å; F131-I150 HydrophobicContact CB-CD1 3.53Å; F131-I150 HydrophobicContact CB-CG1 3.52Å; F131-I150 HydrophobicContact CG-CG1 4.19Å; F131-F153 HydrophobicContact CD2-CE2 4.34Å; F131-F153 HydrophobicContact CE1-CE2 4.39Å; F131-F153 HydrophobicContact CE2-CD2 4.25Å; F131-F153 AromaticContact CE2-CE2 3.58Å; F131-F153 HydrophobicContact CE2-CE2 3.58Å; F131-F153 HydrophobicContact CE2-CZ 4.48Å; F131-F153 AromaticContact CZ-CE2 3.62Å; F131-F153 HydrophobicContact CZ-CE2 3.62Å; F131-F153 HydrophobicContact CZ-CZ 4.36Å
132	F	96	Very high	91.6	Very high	19 Å²	19	55.4 Å²	55.4	8%	0.083	30%	0.301	C	S	.	.	H	α-helix	trans	-59.4	-30.5	175	-68.5	-22.4	0	0	0	112.9	W128 F134 F135 I150 D165 Y168 Y169	W128-F132 HydrophobicContact CB-CD2 3.91Å; W128-F132 HydrophobicContact CB-CE1 4.49Å; W128-F132 HydrophobicContact CB-CE2 3.49Å; W128-F132 VanDerWaalsContact CB-CE2 3.49Å; W128-F132 HydrophobicContact CB-CZ 3.82Å; W128-F132 HydrophobicContact CG-CE2 4.46Å; W128-F132 WeakPolarHBondContact O-CG 3.35Å; W128-F132 PolarHBondContact O-N 3Å; F132-F134 PolarHBondContact O-N 2.87Å; F132-F135 HydrophobicContact CD1-CD2 4.05Å; F132-F135 AromaticContact CD1-CE2 3.47Å; F132-F135 HydrophobicContact CD1-CE2 3.47Å; F132-F135 VanDerWaalsContact CD1-CE2 3.47Å; F132-F135 HydrophobicContact CD1-CZ 4.04Å; F132-F135 AromaticContact CE1-CE2 3.94Å; F132-F135 HydrophobicContact CE1-CE2 3.94Å; F132-F135 HydrophobicContact CE1-CZ 4.45Å; F132-F135 HydrophobicContact CG-CE2 4.48Å; F132-F135 WeakPolarHBondContact O-CB 3.32Å; F132-F135 PolarHBondContact O-N 3.37Å; F132-I150 HydrophobicContact CD1-CD1 3.59Å; F132-I150 HydrophobicContact CE1-CD1 3.73Å; F132-I150 HydrophobicContact CE1-CG1 4.48Å; F132-I150 HydrophobicContact CE1-CG2 4.25Å; F132-D165 HydrophobicContact CE2-CB 3.97Å; F132-D165 HydrophobicContact CZ-CB 4.17Å; F132-Y168 HydrophobicContact CB-CE1 3.95Å; F132-Y168 AromaticContact CD1-CD1 3.96Å; F132-Y168 HydrophobicContact CD1-CD1 3.96Å; F132-Y168 AromaticContact CD1-CE1 3.79Å; F132-Y168 HydrophobicContact CD1-CE1 3.79Å; F132-Y168 AromaticContact CD2-CD1 3.72Å; F132-Y168 HydrophobicContact CD2-CD1 3.72Å; F132-Y168 AromaticContact CD2-CE1 3.84Å; F132-Y168 HydrophobicContact CD2-CE1 3.84Å; F132-Y168 AromaticContact CE1-CD1 3.88Å; F132-Y168 HydrophobicContact CE1-CD1 3.88Å; F132-Y168 HydrophobicContact CE1-CE1 4.19Å; F132-Y168 AromaticContact CE2-CD1 3.64Å; F132-Y168 HydrophobicContact CE2-CD1 3.64Å; F132-Y168 HydrophobicContact CE2-CE1 4.23Å; F132-Y168 AromaticContact CG-CD1 3.89Å; F132-Y168 HydrophobicContact CG-CD1 3.89Å; F132-Y168 AromaticContact CG-CE1 3.61Å; F132-Y168 HydrophobicContact CG-CE1 3.61Å; F132-Y168 AromaticContact CZ-CD1 3.73Å; F132-Y168 HydrophobicContact CZ-CD1 3.73Å; F132-Y168 HydrophobicContact CZ-CE1 4.4Å; F132-Y169 HydrophobicContact CE1-CD2 4.22Å; F132-Y169 HydrophobicContact CE1-CG 4.39Å
133	G	93.1	Very high	91.8	Very high	32 Å²	32	49.4 Å²	49.4	33%	0.33	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-55.6	-24.7	172.2	0	0	0	0	0	114	S129 F131 F135 R137	S129-G133 PolarHBondContact O-N 3.03Å; F131-G133 PolarHBondContact O-N 3.09Å; G133-F135 VanDerWaalsContact C-N 3.34Å; G133-R137 WeakPolarHBondContact O-CG 3.32Å
134	F	95.1	Very high	92.1	Very high	3 Å²	3	47.7 Å²	47.7	1%	0.013	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-75.2	-19.1	175.9	-72.1	-88.5	0	0	0	114	L86 L95 L99 F131 F132 Q136 R137 C142 A146	L86-F134 HydrophobicContact CD2-CE2 4.14Å; L86-F134 HydrophobicContact CD2-CZ 3.75Å; L95-F134 HydrophobicContact CB-CE1 4.41Å; L95-F134 HydrophobicContact CD1-CE1 4.18Å; L95-F134 HydrophobicContact CD2-CE1 4.31Å; L95-F134 HydrophobicContact CD2-CZ 4.12Å; L99-F134 HydrophobicContact CD1-CD1 4.12Å; L99-F134 HydrophobicContact CD1-CE1 3.87Å; L99-F134 HydrophobicContact CD1-CZ 4.24Å; L99-F134 HydrophobicContact CD2-CE2 4.39Å; L99-F134 HydrophobicContact CD2-CZ 4.4Å; F131-F134 WeakPolarHBondContact O-CB 3.45Å; F131-F134 PolarHBondContact O-N 2.95Å; F132-F134 PolarHBondContact O-N 2.87Å; F134-Q136 PolarHBondContact O-N 3.27Å; F134-R137 VanDerWaalsContact CZ-NH1 3.27Å; F134-R137 PolarHBondContact O-N 3.13Å; F134-C142 HydrophobicContact CD1-CB 3.77Å; F134-C142 HydrophobicContact CE1-CB 4.18Å; F134-A146 HydrophobicContact CB-CB 3.76Å; F134-A146 HydrophobicContact CD2-CB 4.13Å; F134-A146 HydrophobicContact CG-CB 4.03Å
135	F	94.8	Very high	92.6	Very high	20 Å²	20	38.4 Å²	38.4	9%	0.088	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-71.1	-16.3	177.1	-60.4	-11.6	0	0	0	112.9	F132 G133 M143 I150 Y168 Y169 W172	F132-F135 HydrophobicContact CD1-CD2 4.05Å; F132-F135 AromaticContact CD1-CE2 3.47Å; F132-F135 HydrophobicContact CD1-CE2 3.47Å; F132-F135 VanDerWaalsContact CD1-CE2 3.47Å; F132-F135 HydrophobicContact CD1-CZ 4.04Å; F132-F135 AromaticContact CE1-CE2 3.94Å; F132-F135 HydrophobicContact CE1-CE2 3.94Å; F132-F135 HydrophobicContact CE1-CZ 4.45Å; F132-F135 HydrophobicContact CG-CE2 4.48Å; F132-F135 WeakPolarHBondContact O-CB 3.32Å; F132-F135 PolarHBondContact O-N 3.37Å; G133-F135 VanDerWaalsContact C-N 3.34Å; F135-M143 HydrophobicContact CD1-CG 4.02Å; F135-I150 HydrophobicContact CE1-CD1 3.93Å; F135-I150 HydrophobicContact CE2-CD1 4.12Å; F135-I150 HydrophobicContact CZ-CD1 3.36Å; F135-Y168 AromaticContact CD2-CE1 3.89Å; F135-Y168 HydrophobicContact CD2-CE1 3.89Å; F135-Y168 HydrophobicContact CE2-CE1 4.21Å; F135-Y169 AromaticContact CE2-CD2 3.92Å; F135-Y169 HydrophobicContact CE2-CD2 3.92Å; F135-Y169 HydrophobicContact CE2-CE2 4.36Å; F135-Y169 AromaticContact CZ-CD2 3.86Å; F135-Y169 HydrophobicContact CZ-CD2 3.86Å; F135-Y169 AromaticContact CZ-CE2 3.85Å; F135-Y169 HydrophobicContact CZ-CE2 3.85Å; F135-W172 HydrophobicContact CD1-CD2 4.42Å; F135-W172 AromaticContact CD1-CE2 3.87Å; F135-W172 AromaticContact CD1-CZ2 3.93Å; F135-W172 HydrophobicContact CD1-CZ2 3.93Å; F135-W172 HydrophobicContact CD2-CB 4.42Å; F135-W172 AromaticContact CD2-CD1 3.65Å; F135-W172 AromaticContact CD2-CD2 3.94Å; F135-W172 HydrophobicContact CD2-CD2 3.94Å; F135-W172 AromaticContact CD2-CE2 3.97Å; F135-W172 AromaticContact CD2-CG 3.73Å; F135-W172 HydrophobicContact CD2-CG 3.73Å; F135-W172 AromaticContact CD2-NE1 3.78Å; F135-W172 HydrophobicContact CE1-CD2 4.35Å; F135-W172 HydrophobicContact CE1-CH2 4.28Å; F135-W172 HydrophobicContact CE1-CZ2 4.12Å; F135-W172 HydrophobicContact CE2-CB 4.34Å; F135-W172 AromaticContact CE2-CD2 3.85Å; F135-W172 HydrophobicContact CE2-CD2 3.85Å; F135-W172 HydrophobicContact CE2-CE3 4.29Å; F135-W172 AromaticContact CE2-CG 3.87Å; F135-W172 HydrophobicContact CE2-CG 3.87Å; F135-W172 AromaticContact CG-CD1 3.94Å; F135-W172 HydrophobicContact CG-CD2 4.23Å; F135-W172 AromaticContact CG-CE2 3.78Å; F135-W172 HydrophobicContact CG-CG 4.31Å; F135-W172 HydrophobicContact CG-CZ2 4.29Å; F135-W172 AromaticContact CG-NE1 3.58Å; F135-W172 HydrophobicContact CZ-CD2 4.06Å; F135-W172 HydrophobicContact CZ-CE3 4.13Å; F135-W172 HydrophobicContact CZ-CZ3 4.48Å
136	Q	88.3	Confident	93	Very high	166 Å²	166	33.8 Å²	33.8	78%	0.776	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-102.7	-7.2	175.3	-61.2	176.9	-9.5	0	0	112.4	F134	F134-Q136 PolarHBondContact O-N 3.27Å
137	R	74.4	Confident	93.4	Very high	102 Å²	102	31.3 Å²	31.3	39%	0.385	18%	0.183	S	C	.	.	S	Bend	trans	-83.1	147.3	179.1	-74.4	179.1	175	-172.4	-2.5	110.1	G133 F134 D139	G133-R137 WeakPolarHBondContact O-CG 3.32Å; F134-R137 VanDerWaalsContact CZ-NH1 3.27Å; F134-R137 PolarHBondContact O-N 3.13Å; R137-D139 VanDerWaalsContact C-N 3.33Å; R137-D139 PolarHBondContact O-N 3.16Å
138	G	79.8	Confident	93.6	Very high	77 Å²	77	31.9 Å²	31.9	79%	0.794	18%	0.184	S	C	*	.	S	Bend	trans	-73.4	-11.3	-171.5	0	0	0	0	0	116.6	P140	G138-P140 VanDerWaalsContact O-CD 3.29Å; G138-P140 WeakPolarHBondContact O-CD 3.45Å
139	D	93.8	Very high	93.7	Very high	11 Å²	11	30.8 Å²	30.8	6%	0.059	18%	0.18	C	C	.	.			trans	-88.2	111.5	-179.9	-179.6	38.5	0	0	0	112	R96 R137 F141 C142 M143	R96-D139 IonicContact CZ-OD1 2.83Å; R96-D139 IonicContact CZ-OD2 3.82Å; R96-D139 IonicContact NE-OD1 2.74Å; R96-D139 PolarHBondContact NE-OD1 3.1Å; R96-D139 IonicContact NE-OD2 3.93Å; R96-D139 PolarHBondContact NE-OD2 3.06Å; R96-D139 IonicContact NH2-OD1 2.77Å; R96-D139 PolarHBondContact NH2-OD1 3.25Å; R96-D139 IonicContact NH2-OD2 2.87Å; R137-D139 VanDerWaalsContact C-N 3.33Å; R137-D139 PolarHBondContact O-N 3.16Å; D139-F141 VanDerWaalsContact C-N 3.3Å; D139-F141 PolarHBondContact O-N 3.37Å; D139-C142 HydrophobicContact CB-CB 4.2Å; D139-C142 PolarHBondContact O-N 2.92Å; D139-C142 PolarHBondContact OD2-N 3.32Å; D139-C142 VanDerWaalsContact OD2-N 3.1Å; D139-C142 PolarHBondContact OD2-SG 2.81Å; D139-M143 PolarHBondContact O-N 3.1Å; D139-M143 VanDerWaalsContact O-N 3.12Å
140	P	94.9	Very high	94	Very high	61 Å²	61	27.8 Å²	27.8	40%	0.396	16%	0.159	S	C	.	.	H	α-helix	trans	-60.6	-38.1	-178.3	-24.1	35.8	0	0	0	112.7	G138 C142 M143 Y144 Y184	G138-P140 VanDerWaalsContact O-CD 3.29Å; G138-P140 WeakPolarHBondContact O-CD 3.45Å; P140-C142 PolarHBondContact O-N 2.7Å; P140-M143 WeakPolarHBondContact O-CB 3.25Å; P140-M143 PolarHBondContact O-N 3.42Å; P140-Y144 HydrophobicContact CB-CD2 4.43Å; P140-Y144 HydrophobicContact CB-CE2 4.36Å; P140-Y144 WeakPolarHBondContact O-CD2 3.35Å; P140-Y144 PolarHBondContact O-N 3.09Å; P140-Y184 HydrophobicContact CB-CE2 3.81Å
141	F	96.5	Very high	94.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.5	-51.8	179.9	175.7	-86.1	0	0	0	110.9	L24 T27 A28 V31 R96 D139 M143 Y144 Q145 Y184	L24-F141 HydrophobicContact CD1-CD2 3.65Å; L24-F141 HydrophobicContact CD1-CE2 3.65Å; L24-F141 HydrophobicContact CD1-CG 4.4Å; L24-F141 HydrophobicContact CD1-CZ 4.41Å; T27-F141 HydrophobicContact CG2-CD2 3.37Å; T27-F141 HydrophobicContact CG2-CE2 3.66Å; T27-F141 HydrophobicContact CG2-CG 4.25Å; A28-F141 HydrophobicContact CB-CE2 4.13Å; A28-F141 HydrophobicContact CB-CZ 4.09Å; V31-F141 HydrophobicContact CG2-CE1 4.27Å; V31-F141 HydrophobicContact CG2-CE2 4.45Å; V31-F141 HydrophobicContact CG2-CZ 4.04Å; R96-F141 HydrophobicContact CB-CD1 3.74Å; R96-F141 HydrophobicContact CB-CE1 3.69Å; R96-F141 HydrophobicContact CG-CD1 3.5Å; R96-F141 HydrophobicContact CG-CE1 4.02Å; R96-F141 HydrophobicContact CG-CG 4.34Å; D139-F141 VanDerWaalsContact C-N 3.3Å; D139-F141 PolarHBondContact O-N 3.37Å; F141-M143 VanDerWaalsContact C-N 3.26Å; F141-M143 PolarHBondContact O-N 2.93Å; F141-Y144 PolarHBondContact O-N 3.16Å; F141-Q145 HydrophobicContact CD1-CB 4.44Å; F141-Q145 HydrophobicContact CE1-CB 4.13Å; F141-Q145 HydrophobicContact CE1-CG 4.24Å; F141-Q145 HydrophobicContact CZ-CB 4.43Å; F141-Q145 HydrophobicContact CZ-CG 4.37Å; F141-Q145 WeakPolarHBondContact O-CB 3.47Å; F141-Q145 PolarHBondContact O-N 3.27Å; F141-Y184 PolarHBondContact N-OH 3.02Å
142	C	96.6	Very high	94.3	Very high	4 Å²	4	26.8 Å²	26.8	3%	0.027	15%	0.154	C	C	.	.	H	α-helix	trans	-58.2	-41.1	177.8	-73.2	0	0	0	0	111.8	L99 F134 D139 P140 A146	L99-C142 HydrophobicContact CD1-CB 3.66Å; F134-C142 HydrophobicContact CD1-CB 3.77Å; F134-C142 HydrophobicContact CE1-CB 4.18Å; D139-C142 HydrophobicContact CB-CB 4.2Å; D139-C142 PolarHBondContact O-N 2.92Å; D139-C142 PolarHBondContact OD2-N 3.32Å; D139-C142 VanDerWaalsContact OD2-N 3.1Å; D139-C142 PolarHBondContact OD2-SG 2.81Å; P140-C142 PolarHBondContact O-N 2.7Å; C142-A146 WeakPolarHBondContact O-CB 3.49Å; C142-A146 PolarHBondContact O-N 3.42Å
143	M	96.8	Very high	94.3	Very high	26 Å²	26	26 Å²	26	13%	0.128	15%	0.151	C	C	.	.	H	α-helix	trans	-58.4	-53.4	178.2	177.9	174.2	80.1	0	0	112.2	F135 D139 P140 F141 A146 S147 W172	F135-M143 HydrophobicContact CD1-CG 4.02Å; D139-M143 PolarHBondContact O-N 3.1Å; D139-M143 VanDerWaalsContact O-N 3.12Å; P140-M143 WeakPolarHBondContact O-CB 3.25Å; P140-M143 PolarHBondContact O-N 3.42Å; F141-M143 VanDerWaalsContact C-N 3.26Å; F141-M143 PolarHBondContact O-N 2.93Å; M143-A146 PolarHBondContact O-N 2.98Å; M143-S147 PolarHBondContact O-N 3.5Å; M143-W172 HydrophobicContact CE-CZ2 4.12Å; M143-W172 HydrophobicContact CG-CH2 4.28Å; M143-W172 HydrophobicContact CG-CZ2 3.57Å; M143-W172 HydrophobicContact SD-CZ2 3.82Å
144	Y	97.4	Very high	94.5	Very high	9 Å²	9	24.5 Å²	24.5	4%	0.035	14%	0.135	C	C	.	.	H	α-helix	trans	-73.5	-31.5	-178.6	-69.6	-72.6	0	0	0	113.1	P140 F141 S147 R148 W172 Q176 N182 Y184 V188	P140-Y144 HydrophobicContact CB-CD2 4.43Å; P140-Y144 HydrophobicContact CB-CE2 4.36Å; P140-Y144 WeakPolarHBondContact O-CD2 3.35Å; P140-Y144 PolarHBondContact O-N 3.09Å; F141-Y144 PolarHBondContact O-N 3.16Å; Y144-S147 WeakPolarHBondContact O-CB 3.4Å; Y144-S147 PolarHBondContact O-N 3.4Å; Y144-R148 PolarHBondContact O-N 3.19Å; Y144-W172 AromaticContact CD1-CH2 3.81Å; Y144-W172 HydrophobicContact CD1-CH2 3.81Å; Y144-W172 AromaticContact CE1-CH2 3.83Å; Y144-W172 HydrophobicContact CE1-CH2 3.83Å; Y144-W172 HydrophobicContact CE1-CZ2 4.41Å; Y144-Q176 HydrophobicContact CE1-CB 4.34Å; Y144-Q176 HydrophobicContact CE1-CG 4.15Å; Y144-Q176 PolarHBondContact OH-OE1 3.48Å; Y144-N182 PolarHBondContact OH-ND2 3.5Å; Y144-N182 PolarHBondContact OH-OD1 2.99Å; Y144-Y184 HydrophobicContact CD1-CG 4.19Å; Y144-Y184 VanDerWaalsContact CD2-CB 3.45Å; Y144-Y184 AromaticContact CD2-CD1 3.41Å; Y144-Y184 HydrophobicContact CD2-CD1 3.41Å; Y144-Y184 VanDerWaalsContact CD2-CD1 3.41Å; Y144-Y184 AromaticContact CD2-CD2 3.34Å; Y144-Y184 HydrophobicContact CD2-CD2 3.34Å; Y144-Y184 AromaticContact CD2-CE1 3.89Å; Y144-Y184 HydrophobicContact CD2-CE1 3.89Å; Y144-Y184 AromaticContact CD2-CE2 3.83Å; Y144-Y184 HydrophobicContact CD2-CE2 3.83Å; Y144-Y184 AromaticContact CD2-CG 3.1Å; Y144-Y184 HydrophobicContact CD2-CG 3.1Å; Y144-Y184 HydrophobicContact CE1-CG 4.42Å; Y144-Y184 HydrophobicContact CE2-CD1 4.2Å; Y144-Y184 AromaticContact CE2-CD2 3.28Å; Y144-Y184 HydrophobicContact CE2-CD2 3.28Å; Y144-Y184 AromaticContact CE2-CE2 3.97Å; Y144-Y184 HydrophobicContact CE2-CE2 3.97Å; Y144-Y184 AromaticContact CE2-CG 3.42Å; Y144-Y184 HydrophobicContact CE2-CG 3.42Å; Y144-Y184 VanDerWaalsContact CE2-CG 3.42Å; Y144-Y184 VanDerWaalsContact CG-CB 3.5Å; Y144-Y184 AromaticContact CG-CD1 3.63Å; Y144-Y184 HydrophobicContact CG-CD1 3.63Å; Y144-Y184 HydrophobicContact CG-CD2 4.25Å; Y144-Y184 HydrophobicContact CG-CE1 4.36Å; Y144-Y184 AromaticContact CG-CG 3.55Å; Y144-Y184 HydrophobicContact CG-CG 3.55Å; Y144-V188 HydrophobicContact CD1-CG2 3.83Å; Y144-V188 HydrophobicContact CE1-CG2 3.44Å; Y144-V188 VanDerWaalsContact CE1-CG2 3.44Å
145	Q	97.3	Very high	94.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-66.9	-43.1	173.4	-170.2	66.3	6.4	0	0	111.2	L24 L99 D103 F141 S147 R148 I149	L24-Q145 HydrophobicContact CD1-CB 4.22Å; L99-Q145 HydrophobicContact CB-CB 4.28Å; L99-Q145 HydrophobicContact CB-CG 3.64Å; L99-Q145 PolarHBondContact O-NE2 3.35Å; D103-Q145 PolarHBondContact OD2-NE2 2.64Å; F141-Q145 HydrophobicContact CD1-CB 4.44Å; F141-Q145 HydrophobicContact CE1-CB 4.13Å; F141-Q145 HydrophobicContact CE1-CG 4.24Å; F141-Q145 HydrophobicContact CZ-CB 4.43Å; F141-Q145 HydrophobicContact CZ-CG 4.37Å; F141-Q145 WeakPolarHBondContact O-CB 3.47Å; F141-Q145 PolarHBondContact O-N 3.27Å; Q145-S147 VanDerWaalsContact C-N 3.35Å; Q145-R148 PolarHBondContact O-N 3.39Å; Q145-I149 WeakPolarHBondContact O-CG1 3.15Å; Q145-I149 PolarHBondContact O-N 2.88Å; Q145-I149 VanDerWaalsContact O-N 3.07Å
146	A	97.5	Very high	94.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.1	-42.1	173.1	0	0	0	0	0	111.5	L99 F131 F134 C142 M143 R148 I149 I150	L99-A146 HydrophobicContact CD2-CB 4.3Å; F131-A146 HydrophobicContact CD1-CB 4.38Å; F134-A146 HydrophobicContact CB-CB 3.76Å; F134-A146 HydrophobicContact CD2-CB 4.13Å; F134-A146 HydrophobicContact CG-CB 4.03Å; C142-A146 WeakPolarHBondContact O-CB 3.49Å; C142-A146 PolarHBondContact O-N 3.42Å; M143-A146 PolarHBondContact O-N 2.98Å; A146-R148 VanDerWaalsContact C-N 3.32Å; A146-R148 PolarHBondContact O-N 3.31Å; A146-I149 PolarHBondContact O-N 3.08Å; A146-I150 WeakPolarHBondContact O-CG1 3.37Å; A146-I150 PolarHBondContact O-N 3.37Å
147	S	97.9	Very high	95	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-56.5	-45	173.7	179.7	0	0	0	0	112.1	M143 Y144 Q145 I149 I150 A151 Y169 W172 N191	M143-S147 PolarHBondContact O-N 3.5Å; Y144-S147 WeakPolarHBondContact O-CB 3.4Å; Y144-S147 PolarHBondContact O-N 3.4Å; Q145-S147 VanDerWaalsContact C-N 3.35Å; S147-I149 VanDerWaalsContact C-N 3.34Å; S147-I149 PolarHBondContact O-N 3.12Å; S147-I150 WeakPolarHBondContact O-CB 3.49Å; S147-I150 PolarHBondContact O-N 2.94Å; S147-A151 PolarHBondContact O-N 3.33Å; S147-Y169 PolarHBondContact O-OH 2.89Å; S147-Y169 WeakPolarHBondContact OG-CE2 3.24Å; S147-Y169 PolarHBondContact OG-OH 3.18Å; S147-W172 WeakPolarHBondContact OG-CZ3 3.35Å; S147-N191 PolarHBondContact OG-ND2 3.46Å; S147-N191 VanDerWaalsContact OG-ND2 3.11Å
148	R	97.4	Very high	95.9	Very high	29 Å²	29	20 Å²	20	11%	0.109	13%	0.132	C	C	.	.	H	α-helix	trans	-62.8	-39.7	177.2	178.1	176.6	137.6	160.5	2.7	112.6	L24 D103 Y144 Q145 A146 A151 K152 N191	L24-R148 HydrophobicContact CD2-CB 4.49Å; D103-R148 IonicContact OD1-CZ 3.59Å; D103-R148 IonicContact OD1-NE 3.65Å; D103-R148 PolarHBondContact OD1-NE 2.94Å; D103-R148 IonicContact OD1-NH2 2.96Å; D103-R148 PolarHBondContact OD1-NH2 2.85Å; D103-R148 IonicContact OD2-CZ 2.75Å; D103-R148 IonicContact OD2-NE 3.53Å; D103-R148 PolarHBondContact OD2-NE 3.42Å; D103-R148 IonicContact OD2-NH1 3.65Å; D103-R148 IonicContact OD2-NH2 3.19Å; D103-R148 PolarHBondContact OD2-NH2 2.66Å; Y144-R148 PolarHBondContact O-N 3.19Å; Q145-R148 PolarHBondContact O-N 3.39Å; A146-R148 VanDerWaalsContact C-N 3.32Å; A146-R148 PolarHBondContact O-N 3.31Å; R148-A151 PolarHBondContact O-N 2.93Å; R148-K152 WeakPolarHBondContact O-CG 3.22Å; R148-K152 PolarHBondContact O-N 2.95Å; R148-K152 VanDerWaalsContact O-N 3.1Å; R148-N191 WeakPolarHBondContact CA-ND2 3.36Å; R148-N191 PolarHBondContact N-ND2 3.38Å
149	I	98	Very high	96.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.2	-43	174.6	-66.8	163.8	0	0	0	110.9	L99 I102 D103 L106 F131 Q145 A146 S147 A151 K152 F153	L99-I149 HydrophobicContact CB-CD1 4.18Å; L99-I149 HydrophobicContact CD2-CD1 3.77Å; L99-I149 WeakPolarHBondContact O-CD1 3.41Å; I102-I149 HydrophobicContact CB-CD1 4.13Å; I102-I149 HydrophobicContact CG2-CD1 3.98Å; I102-I149 HydrophobicContact CG2-CG1 4.3Å; I102-I149 HydrophobicContact CG2-CG2 4.01Å; D103-I149 HydrophobicContact CB-CD1 4.22Å; D103-I149 HydrophobicContact CB-CG1 3.84Å; L106-I149 HydrophobicContact CD1-CG2 4.23Å; F131-I149 HydrophobicContact CD1-CB 4.48Å; F131-I149 HydrophobicContact CD1-CG2 4.08Å; F131-I149 HydrophobicContact CE1-CB 4.4Å; F131-I149 HydrophobicContact CE1-CD1 4.26Å; F131-I149 HydrophobicContact CE1-CG2 3.66Å; F131-I149 HydrophobicContact CZ-CG2 4Å; Q145-I149 WeakPolarHBondContact O-CG1 3.15Å; Q145-I149 PolarHBondContact O-N 2.88Å; Q145-I149 VanDerWaalsContact O-N 3.07Å; A146-I149 PolarHBondContact O-N 3.08Å; S147-I149 VanDerWaalsContact C-N 3.34Å; S147-I149 PolarHBondContact O-N 3.12Å; I149-A151 VanDerWaalsContact C-N 3.35Å; I149-A151 PolarHBondContact O-N 3.18Å; I149-K152 WeakPolarHBondContact O-CB 3.47Å; I149-K152 PolarHBondContact O-N 3.4Å; I149-K152 VanDerWaalsContact O-N 3.16Å; I149-F153 HydrophobicContact CG2-CD2 3.56Å; I149-F153 HydrophobicContact CG2-CE2 3.2Å; I149-F153 HydrophobicContact CG2-CZ 4.05Å; I149-F153 WeakPolarHBondContact O-CD2 3.26Å; I149-F153 PolarHBondContact O-N 3.36Å
150	I	98.3	Very high	96.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-57.6	-47.4	174.9	-69.9	159.4	0	0	0	110.7	W128 F131 F132 F135 A146 S147 K152 F153 A154 M161 Y169	W128-I150 HydrophobicContact CE3-CG2 4.17Å; W128-I150 HydrophobicContact CZ3-CG2 4.22Å; F131-I150 HydrophobicContact CB-CD1 3.53Å; F131-I150 HydrophobicContact CB-CG1 3.52Å; F131-I150 HydrophobicContact CG-CG1 4.19Å; F132-I150 HydrophobicContact CD1-CD1 3.59Å; F132-I150 HydrophobicContact CE1-CD1 3.73Å; F132-I150 HydrophobicContact CE1-CG1 4.48Å; F132-I150 HydrophobicContact CE1-CG2 4.25Å; F135-I150 HydrophobicContact CE1-CD1 3.93Å; F135-I150 HydrophobicContact CE2-CD1 4.12Å; F135-I150 HydrophobicContact CZ-CD1 3.36Å; A146-I150 WeakPolarHBondContact O-CG1 3.37Å; A146-I150 PolarHBondContact O-N 3.37Å; S147-I150 WeakPolarHBondContact O-CB 3.49Å; S147-I150 PolarHBondContact O-N 2.94Å; I150-K152 VanDerWaalsContact C-N 3.29Å; I150-K152 PolarHBondContact O-N 3.18Å; I150-F153 PolarHBondContact O-N 3.25Å; I150-A154 WeakPolarHBondContact O-CB 3.28Å; I150-A154 PolarHBondContact O-N 2.85Å; I150-M161 HydrophobicContact CG2-CE 3.59Å; I150-Y169 HydrophobicContact CB-CE2 4.22Å; I150-Y169 HydrophobicContact CD1-CE2 4.5Å; I150-Y169 HydrophobicContact CG2-CD1 3.84Å; I150-Y169 HydrophobicContact CG2-CD2 3.92Å; I150-Y169 HydrophobicContact CG2-CE1 3.83Å; I150-Y169 HydrophobicContact CG2-CE2 3.9Å; I150-Y169 HydrophobicContact CG2-CG 3.89Å
151	A	97.9	Very high	96.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-58.5	-40.6	177	0	0	0	0	0	112.1	S147 R148 I149 A154 C155 Y169 N191 M194 M195	S147-A151 PolarHBondContact O-N 3.33Å; R148-A151 PolarHBondContact O-N 2.93Å; I149-A151 VanDerWaalsContact C-N 3.35Å; I149-A151 PolarHBondContact O-N 3.18Å; A151-A154 PolarHBondContact O-N 3.49Å; A151-C155 VanDerWaalsContact O-CB 3.23Å; A151-C155 WeakPolarHBondContact O-CB 3.34Å; A151-C155 PolarHBondContact O-N 3.49Å; A151-C155 PolarHBondContact O-SG 3.45Å; A151-Y169 HydrophobicContact CB-CE1 4.43Å; A151-N191 HydrophobicContact CB-CB 3.96Å; A151-M194 HydrophobicContact CB-CE 4.5Å; A151-M195 HydrophobicContact CB-SD 4.37Å
152	K	97.6	Very high	96.7	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.017	14%	0.143	C	C	.	.	H	α-helix	trans	-63.2	-48.6	175	-71.6	177.8	168.9	-166.1	0	112	D103 L106 R148 I149 I150 A154 C155 W156 M194	D103-K152 PolarHBondContact O-NZ 3.12Å; D103-K152 WeakPolarHBondContact OD1-CE 3.45Å; D103-K152 IonicContact OD1-NZ 3.2Å; D103-K152 PolarHBondContact OD1-NZ 3.46Å; L106-K152 HydrophobicContact CB-CD 4.18Å; L106-K152 HydrophobicContact CD1-CB 4.28Å; L106-K152 HydrophobicContact CD1-CD 4.37Å; R148-K152 WeakPolarHBondContact O-CG 3.22Å; R148-K152 PolarHBondContact O-N 2.95Å; R148-K152 VanDerWaalsContact O-N 3.1Å; I149-K152 WeakPolarHBondContact O-CB 3.47Å; I149-K152 PolarHBondContact O-N 3.4Å; I149-K152 VanDerWaalsContact O-N 3.16Å; I150-K152 VanDerWaalsContact C-N 3.29Å; I150-K152 PolarHBondContact O-N 3.18Å; K152-A154 PolarHBondContact O-N 2.93Å; K152-C155 PolarHBondContact O-N 2.87Å; K152-W156 HydrophobicContact CB-CD2 4.09Å; K152-W156 HydrophobicContact CB-CE3 3.74Å; K152-W156 HydrophobicContact CB-CH2 4.32Å; K152-W156 HydrophobicContact CB-CZ3 3.86Å; K152-W156 HydrophobicContact CD-CE3 4.24Å; K152-W156 HydrophobicContact CD-CH2 3.56Å; K152-W156 HydrophobicContact CD-CZ2 4.34Å; K152-W156 HydrophobicContact CD-CZ3 3.47Å; K152-W156 VanDerWaalsContact CD-CZ3 3.47Å; K152-W156 HydrophobicContact CG-CD2 4.27Å; K152-W156 HydrophobicContact CG-CE3 3.93Å; K152-W156 HydrophobicContact CG-CH2 3.57Å; K152-W156 HydrophobicContact CG-CZ2 3.87Å; K152-W156 HydrophobicContact CG-CZ3 3.58Å; K152-W156 VanDerWaalsContact O-CB 3.24Å; K152-W156 WeakPolarHBondContact O-CB 3.49Å; K152-W156 PolarHBondContact O-N 3.47Å; K152-M194 HydrophobicContact CG-CE 3.96Å
153	F	97.7	Very high	96.6	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.009	17%	0.166	C	C	.	.	H	α-helix	trans	-59.3	-47.1	176.1	-76	-50.1	0	0	0	111.7	L106 V113 F116 L127 W128 F131 I149 I150 C155 S157	L106-F153 HydrophobicContact CD1-CD1 4.45Å; L106-F153 HydrophobicContact CD1-CE1 3.97Å; L106-F153 HydrophobicContact CD1-CE2 4.47Å; L106-F153 HydrophobicContact CD1-CZ 3.98Å; L106-F153 HydrophobicContact CD2-CE1 4.3Å; V113-F153 HydrophobicContact CB-CD1 3.8Å; V113-F153 HydrophobicContact CB-CE1 4.17Å; V113-F153 HydrophobicContact CG1-CD1 3.8Å; V113-F153 HydrophobicContact CG1-CE1 4.18Å; F116-F153 HydrophobicContact CB-CE1 3.63Å; F116-F153 HydrophobicContact CB-CZ 3.86Å; F116-F153 HydrophobicContact CD1-CZ 4.08Å; F116-F153 AromaticContact CD2-CE1 3.73Å; F116-F153 HydrophobicContact CD2-CE1 3.73Å; F116-F153 AromaticContact CD2-CZ 3.81Å; F116-F153 HydrophobicContact CD2-CZ 3.81Å; F116-F153 HydrophobicContact CE2-CZ 4.36Å; F116-F153 AromaticContact CG-CE1 3.76Å; F116-F153 HydrophobicContact CG-CE1 3.76Å; F116-F153 AromaticContact CG-CZ 3.64Å; F116-F153 HydrophobicContact CG-CZ 3.64Å; L127-F153 HydrophobicContact CD1-CD2 4.29Å; L127-F153 HydrophobicContact CD1-CE2 4.1Å; L127-F153 HydrophobicContact CD1-CZ 4.3Å; L127-F153 HydrophobicContact CD2-CB 4.1Å; L127-F153 HydrophobicContact CD2-CD1 4.24Å; L127-F153 HydrophobicContact CD2-CD2 4.28Å; L127-F153 HydrophobicContact CD2-CG 3.98Å; W128-F153 HydrophobicContact CH2-CB 3.83Å; W128-F153 HydrophobicContact CZ3-CB 3.55Å; F131-F153 HydrophobicContact CD2-CE2 4.34Å; F131-F153 HydrophobicContact CE1-CE2 4.39Å; F131-F153 HydrophobicContact CE2-CD2 4.25Å; F131-F153 AromaticContact CE2-CE2 3.58Å; F131-F153 HydrophobicContact CE2-CE2 3.58Å; F131-F153 HydrophobicContact CE2-CZ 4.48Å; F131-F153 AromaticContact CZ-CE2 3.62Å; F131-F153 HydrophobicContact CZ-CE2 3.62Å; F131-F153 HydrophobicContact CZ-CZ 4.36Å; I149-F153 HydrophobicContact CG2-CD2 3.56Å; I149-F153 HydrophobicContact CG2-CE2 3.2Å; I149-F153 HydrophobicContact CG2-CZ 4.05Å; I149-F153 WeakPolarHBondContact O-CD2 3.26Å; I149-F153 PolarHBondContact O-N 3.36Å; I150-F153 PolarHBondContact O-N 3.25Å; F153-C155 VanDerWaalsContact C-N 3.29Å; F153-C155 PolarHBondContact O-N 2.78Å; F153-S157 WeakPolarHBondContact O-CB 3.48Å; F153-S157 PolarHBondContact O-N 3.07Å
154	A	97.2	Very high	96.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63	-34.9	-179.9	0	0	0	0	0	112.7	W128 I150 A151 K152 M161 M195 Y201	W128-A154 HydrophobicContact CH2-CB 4.17Å; W128-A154 HydrophobicContact CZ3-CB 4.4Å; I150-A154 WeakPolarHBondContact O-CB 3.28Å; I150-A154 PolarHBondContact O-N 2.85Å; A151-A154 PolarHBondContact O-N 3.49Å; K152-A154 PolarHBondContact O-N 2.93Å; A154-M161 HydrophobicContact CB-CB 4.4Å; A154-M161 HydrophobicContact CB-CE 3.73Å; A154-M195 HydrophobicContact CB-CE 3.82Å; A154-M195 HydrophobicContact CB-SD 3.66Å; A154-Y201 HydrophobicContact CB-CE2 4.17Å; A154-Y201 PolarHBondContact O-OH 3.3Å; A154-Y201 VanDerWaalsContact O-OH 3.13Å
155	C	96.4	Very high	96.6	Very high	27 Å²	27	38.7 Å²	38.7	18%	0.182	20%	0.2	C	C	.	.	H	α-helix	trans	-97.5	-24.4	-172.8	-61.2	0	0	0	0	115.3	A151 K152 F153 M194 I198	A151-C155 VanDerWaalsContact O-CB 3.23Å; A151-C155 WeakPolarHBondContact O-CB 3.34Å; A151-C155 PolarHBondContact O-N 3.49Å; A151-C155 PolarHBondContact O-SG 3.45Å; K152-C155 PolarHBondContact O-N 2.87Å; F153-C155 VanDerWaalsContact C-N 3.29Å; F153-C155 PolarHBondContact O-N 2.78Å; C155-M194 HydrophobicContact CB-CE 4.38Å; C155-M194 VanDerWaalsContact SG-C 3.5Å; C155-M194 PolarHBondContact SG-O 2.91Å; C155-M194 VanDerWaalsContact SG-O 3.4Å; C155-I198 HydrophobicContact CB-CD1 4.19Å
156	W	96.7	Very high	96.7	Very high	54 Å²	54	39 Å²	39	21%	0.205	20%	0.201	C	C	.	.	H	α-helix	trans	-106.6	-16.4	-174.3	-57.2	-15.4	0	0	0	113.1	L106 K110 V113 K152 M194	L106-W156 HydrophobicContact CB-CZ3 4.01Å; L106-W156 VanDerWaalsContact O-CZ3 3.23Å; L106-W156 WeakPolarHBondContact O-CZ3 3.26Å; K110-W156 HydrophobicContact CB-CB 4.39Å; K110-W156 HydrophobicContact CB-CD2 4.09Å; K110-W156 HydrophobicContact CB-CE3 3.97Å; K110-W156 HydrophobicContact CB-CG 4.29Å; K110-W156 HydrophobicContact CD-CD2 4.08Å; K110-W156 HydrophobicContact CD-CG 4.3Å; K110-W156 HydrophobicContact CD-CZ2 4.38Å; K110-W156 HydrophobicContact CG-CD2 3.84Å; K110-W156 HydrophobicContact CG-CE3 3.81Å; K110-W156 HydrophobicContact CG-CG 4.36Å; K110-W156 HydrophobicContact CG-CH2 4.22Å; K110-W156 HydrophobicContact CG-CZ2 4.29Å; K110-W156 HydrophobicContact CG-CZ3 4Å; V113-W156 HydrophobicContact CG1-CB 4Å; V113-W156 HydrophobicContact CG1-CE3 4.07Å; V113-W156 HydrophobicContact CG2-CB 4.02Å; V113-W156 WeakPolarHBondContact CG2-O 3.39Å; K152-W156 HydrophobicContact CB-CD2 4.09Å; K152-W156 HydrophobicContact CB-CE3 3.74Å; K152-W156 HydrophobicContact CB-CH2 4.32Å; K152-W156 HydrophobicContact CB-CZ3 3.86Å; K152-W156 HydrophobicContact CD-CE3 4.24Å; K152-W156 HydrophobicContact CD-CH2 3.56Å; K152-W156 HydrophobicContact CD-CZ2 4.34Å; K152-W156 HydrophobicContact CD-CZ3 3.47Å; K152-W156 VanDerWaalsContact CD-CZ3 3.47Å; K152-W156 HydrophobicContact CG-CD2 4.27Å; K152-W156 HydrophobicContact CG-CE3 3.93Å; K152-W156 HydrophobicContact CG-CH2 3.57Å; K152-W156 HydrophobicContact CG-CZ2 3.87Å; K152-W156 HydrophobicContact CG-CZ3 3.58Å; K152-W156 VanDerWaalsContact O-CB 3.24Å; K152-W156 WeakPolarHBondContact O-CB 3.49Å; K152-W156 PolarHBondContact O-N 3.47Å; W156-M194 HydrophobicContact CZ2-CE 3.95Å
157	S	95.2	Very high	96.7	Very high	19 Å²	19	41.4 Å²	41.4	13%	0.133	21%	0.214	C	C	.	.	S	Bend	trans	-65	144.3	169.8	169.8	0	0	0	0	110.3	F153 Q159	F153-S157 WeakPolarHBondContact O-CB 3.48Å; F153-S157 PolarHBondContact O-N 3.07Å; S157-Q159 WeakPolarHBondContact CB-O 3.35Å; S157-Q159 PolarHBondContact O-N 3.42Å; S157-Q159 PolarHBondContact OG-N 2.86Å; S157-Q159 PolarHBondContact OG-O 3.41Å
158	S	93.7	Very high	96.7	Very high	96 Å²	96	45.9 Å²	45.9	67%	0.671	23%	0.231	S	C	*	.	S	Bend	trans	-72.6	-13.7	170.8	56.7	0	0	0	0	113.7	E114 R117	E114-S158 VanDerWaalsContact OE1-CB 3.28Å; E114-S158 WeakPolarHBondContact OE1-CB 3.11Å; E114-S158 PolarHBondContact OE1-N 3.37Å; E114-S158 PolarHBondContact OE1-OG 3.4Å; R117-S158 PolarHBondContact NH1-OG 3.41Å
159	Q	94	Very high	96.7	Very high	110 Å²	110	44.5 Å²	44.5	51%	0.514	23%	0.226	S	C	.	.	S	Bend	trans	-105.3	129.9	171.1	-176.7	179	-9.1	0	0	110.7	S157	S157-Q159 WeakPolarHBondContact CB-O 3.35Å; S157-Q159 PolarHBondContact O-N 3.42Å; S157-Q159 PolarHBondContact OG-N 2.86Å; S157-Q159 PolarHBondContact OG-O 3.41Å
160	L	95.1	Very high	96.8	Very high	70 Å²	70	44.5 Å²	44.5	37%	0.366	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-68.1	143.5	175.6	-61.3	-179.8	0	0	0	111.7	I198 E200 Y201	L160-I198 HydrophobicContact CD2-CD1 4.15Å; L160-I198 HydrophobicContact CD2-CG2 3.83Å; L160-E200 HydrophobicContact CD1-CB 3.91Å; L160-E200 HydrophobicContact CD1-CG 3.72Å; L160-Y201 HydrophobicContact CB-CE1 4.2Å; L160-Y201 HydrophobicContact CD2-CE1 4.08Å
161	M	96.1	Very high	96.7	Very high	8 Å²	8	46.3 Å²	46.3	4%	0.039	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-51.3	136.2	165.3	-174.7	-178.9	-81.4	0	0	111.8	W128 I150 A154 D165 L166 Y201	W128-M161 HydrophobicContact CD2-CE 3.67Å; W128-M161 HydrophobicContact CD2-CG 4.35Å; W128-M161 HydrophobicContact CE3-CE 3.28Å; W128-M161 HydrophobicContact CH2-CB 4.17Å; W128-M161 HydrophobicContact CH2-CE 3.51Å; W128-M161 HydrophobicContact CH2-CG 4.32Å; W128-M161 HydrophobicContact CZ2-CB 3.77Å; W128-M161 HydrophobicContact CZ2-CE 3.88Å; W128-M161 HydrophobicContact CZ2-CG 3.82Å; W128-M161 HydrophobicContact CZ3-CE 3.17Å; I150-M161 HydrophobicContact CG2-CE 3.59Å; A154-M161 HydrophobicContact CB-CB 4.4Å; A154-M161 HydrophobicContact CB-CE 3.73Å; M161-D165 HydrophobicContact CG-CB 3.87Å; M161-D165 HydrophobicContact SD-CB 4.22Å; M161-L166 HydrophobicContact CB-CB 4.48Å; M161-L166 HydrophobicContact CG-CB 4.03Å; M161-L166 WeakPolarHBondContact SD-CA 3.5Å; M161-L166 HydrophobicContact SD-CB 3.88Å; M161-L166 HydrophobicContact SD-CD1 4.12Å; M161-L166 PolarHBondContact SD-N 3.05Å; M161-L166 VanDerWaalsContact SD-N 3.43Å; M161-Y201 WeakPolarHBondContact CB-OH 3.42Å; M161-Y201 PolarHBondContact N-OH 3.29Å
162	E	95.1	Very high	96.7	Very high	122 Å²	122	47 Å²	47	57%	0.57	24%	0.238	S	C	*	.	P	Polyproline II helix	trans	-66.6	152.4	178.8	-63.1	-176.4	-177.2	0	0	111.7	N164 D165 L166	E162-N164 VanDerWaalsContact C-N 3.34Å; E162-N164 PolarHBondContact O-N 2.99Å; E162-D165 PolarHBondContact O-N 3.14Å; E162-L166 VanDerWaalsContact O-CB 3.29Å; E162-L166 WeakPolarHBondContact O-CB 3.48Å; E162-L166 PolarHBondContact O-N 3.35Å
163	E	95.9	Very high	96.8	Very high	107 Å²	107	46.8 Å²	46.8	50%	0.5	24%	0.237	S	C	.	.	H	α-helix	trans	-56.5	-42.8	-169.6	-177	169.2	-156.2	0	0	113.5	L166 I167 Q204	E163-L166 PolarHBondContact O-N 3.42Å; E163-I167 HydrophobicContact CG-CD1 3.68Å; E163-I167 HydrophobicContact CG-CG1 4.35Å; E163-I167 WeakPolarHBondContact O-CB 3.46Å; E163-I167 VanDerWaalsContact O-CG1 3.22Å; E163-I167 WeakPolarHBondContact O-CG1 3.45Å; E163-I167 PolarHBondContact O-N 2.87Å; E163-Q204 PolarHBondContact OE1-NE2 2.91Å
164	N	96.7	Very high	96.8	Very high	130 Å²	130	49.6 Å²	49.6	70%	0.695	25%	0.248	S	C	*	.	H	α-helix	trans	-65.8	-46.2	-178.9	-68.7	-35.2	0	0	0	112.4	E162 L166 I167 Y168	E162-N164 VanDerWaalsContact C-N 3.34Å; E162-N164 PolarHBondContact O-N 2.99Å; N164-L166 VanDerWaalsContact C-N 3.32Å; N164-I167 PolarHBondContact O-N 2.97Å; N164-Y168 WeakPolarHBondContact O-CB 3.48Å; N164-Y168 PolarHBondContact O-N 3.46Å
165	D	97.5	Very high	96.7	Very high	35 Å²	35	54.2 Å²	54.2	19%	0.187	27%	0.269	C	S	.	.	H	α-helix	trans	-67.1	-36.8	178.2	-66.3	-48.5	0	0	0	111	W128 F132 M161 E162 Y168 Y169	W128-D165 HydrophobicContact CB-CB 4.47Å; W128-D165 HydrophobicContact CG-CB 4.14Å; F132-D165 HydrophobicContact CE2-CB 3.97Å; F132-D165 HydrophobicContact CZ-CB 4.17Å; M161-D165 HydrophobicContact CG-CB 3.87Å; M161-D165 HydrophobicContact SD-CB 4.22Å; E162-D165 PolarHBondContact O-N 3.14Å; D165-Y168 PolarHBondContact O-N 3.33Å; D165-Y169 WeakPolarHBondContact O-CB 3.25Å; D165-Y169 PolarHBondContact O-N 3.28Å
166	L	98.1	Very high	96.8	Very high	6 Å²	6	53.8 Å²	53.8	3%	0.031	27%	0.265	C	S	.	.	H	α-helix	trans	-64.3	-48.9	175.6	178.1	64.5	0	0	0	111.8	M161 E162 E163 N164 Y168 Y169 L170 M195 Y201 Q204	M161-L166 HydrophobicContact CB-CB 4.48Å; M161-L166 HydrophobicContact CG-CB 4.03Å; M161-L166 WeakPolarHBondContact SD-CA 3.5Å; M161-L166 HydrophobicContact SD-CB 3.88Å; M161-L166 HydrophobicContact SD-CD1 4.12Å; M161-L166 PolarHBondContact SD-N 3.05Å; M161-L166 VanDerWaalsContact SD-N 3.43Å; E162-L166 VanDerWaalsContact O-CB 3.29Å; E162-L166 WeakPolarHBondContact O-CB 3.48Å; E162-L166 PolarHBondContact O-N 3.35Å; E163-L166 PolarHBondContact O-N 3.42Å; N164-L166 VanDerWaalsContact C-N 3.32Å; L166-Y168 VanDerWaalsContact C-N 3.29Å; L166-Y168 PolarHBondContact O-N 3.09Å; L166-Y169 PolarHBondContact O-N 3.46Å; L166-L170 HydrophobicContact CD1-CD1 3.76Å; L166-L170 HydrophobicContact CD1-CD2 4.46Å; L166-L170 HydrophobicContact CD1-CG 3.89Å; L166-L170 HydrophobicContact CG-CD1 3.83Å; L166-L170 HydrophobicContact CG-CG 4.31Å; L166-L170 WeakPolarHBondContact O-CB 3.4Å; L166-L170 VanDerWaalsContact O-CG 3.26Å; L166-L170 WeakPolarHBondContact O-CG 3.36Å; L166-L170 PolarHBondContact O-N 3.33Å; L166-M195 HydrophobicContact CD1-CE 3.56Å; L166-Y201 HydrophobicContact CD1-CD1 3.77Å; L166-Y201 HydrophobicContact CD1-CD2 4.15Å; L166-Y201 HydrophobicContact CD1-CE1 3.99Å; L166-Y201 HydrophobicContact CD1-CE2 4.35Å; L166-Y201 HydrophobicContact CD1-CG 3.85Å; L166-Y201 HydrophobicContact CD2-CD1 3.36Å; L166-Y201 HydrophobicContact CD2-CE1 3.72Å; L166-Y201 HydrophobicContact CD2-CG 4.14Å; L166-Y201 HydrophobicContact CG-CD1 4.22Å; L166-Y201 HydrophobicContact CG-CE1 4.47Å; L166-Q204 HydrophobicContact CD2-CB 4.07Å; L166-Q204 HydrophobicContact CD2-CG 3.9Å; L166-Q204 HydrophobicContact CG-CB 4.47Å
167	I	98	Very high	96.8	Very high	50 Å²	50	51.8 Å²	51.8	26%	0.256	26%	0.258	S	S	.	.	H	α-helix	trans	-60.8	-42.7	177	-71.4	169	0	0	0	110.1	E163 N164 N171 V208	E163-I167 HydrophobicContact CG-CD1 3.68Å; E163-I167 HydrophobicContact CG-CG1 4.35Å; E163-I167 WeakPolarHBondContact O-CB 3.46Å; E163-I167 VanDerWaalsContact O-CG1 3.22Å; E163-I167 WeakPolarHBondContact O-CG1 3.45Å; E163-I167 PolarHBondContact O-N 2.87Å; N164-I167 PolarHBondContact O-N 2.97Å; I167-N171 WeakPolarHBondContact CG2-ND2 3.47Å; I167-N171 WeakPolarHBondContact O-CB 3.28Å; I167-N171 PolarHBondContact O-N 3.49Å; I167-N171 PolarHBondContact O-ND2 2.94Å; I167-V208 HydrophobicContact CG2-CG1 4.13Å
168	Y	97.9	Very high	96.8	Very high	95 Å²	95	54.7 Å²	54.7	37%	0.373	28%	0.275	S	S	.	.	H	α-helix	trans	-59.2	-49.3	176.3	178.8	-100.4	0	0	0	111.5	F132 F135 N164 D165 L166 N171 W172	F132-Y168 HydrophobicContact CB-CE1 3.95Å; F132-Y168 AromaticContact CD1-CD1 3.96Å; F132-Y168 HydrophobicContact CD1-CD1 3.96Å; F132-Y168 AromaticContact CD1-CE1 3.79Å; F132-Y168 HydrophobicContact CD1-CE1 3.79Å; F132-Y168 AromaticContact CD2-CD1 3.72Å; F132-Y168 HydrophobicContact CD2-CD1 3.72Å; F132-Y168 AromaticContact CD2-CE1 3.84Å; F132-Y168 HydrophobicContact CD2-CE1 3.84Å; F132-Y168 AromaticContact CE1-CD1 3.88Å; F132-Y168 HydrophobicContact CE1-CD1 3.88Å; F132-Y168 HydrophobicContact CE1-CE1 4.19Å; F132-Y168 AromaticContact CE2-CD1 3.64Å; F132-Y168 HydrophobicContact CE2-CD1 3.64Å; F132-Y168 HydrophobicContact CE2-CE1 4.23Å; F132-Y168 AromaticContact CG-CD1 3.89Å; F132-Y168 HydrophobicContact CG-CD1 3.89Å; F132-Y168 AromaticContact CG-CE1 3.61Å; F132-Y168 HydrophobicContact CG-CE1 3.61Å; F132-Y168 AromaticContact CZ-CD1 3.73Å; F132-Y168 HydrophobicContact CZ-CD1 3.73Å; F132-Y168 HydrophobicContact CZ-CE1 4.4Å; F135-Y168 AromaticContact CD2-CE1 3.89Å; F135-Y168 HydrophobicContact CD2-CE1 3.89Å; F135-Y168 HydrophobicContact CE2-CE1 4.21Å; N164-Y168 WeakPolarHBondContact O-CB 3.48Å; N164-Y168 PolarHBondContact O-N 3.46Å; D165-Y168 PolarHBondContact O-N 3.33Å; L166-Y168 VanDerWaalsContact C-N 3.29Å; L166-Y168 PolarHBondContact O-N 3.09Å; Y168-N171 PolarHBondContact O-N 3.34Å; Y168-W172 PolarHBondContact O-N 2.95Å
169	Y	98.4	Very high	96.8	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-68.1	-40.9	-178.2	-176.8	-126	0	0	0	113.2	F132 F135 S147 I150 A151 D165 L166 W172 L173 M195	F132-Y169 HydrophobicContact CE1-CD2 4.22Å; F132-Y169 HydrophobicContact CE1-CG 4.39Å; F135-Y169 AromaticContact CE2-CD2 3.92Å; F135-Y169 HydrophobicContact CE2-CD2 3.92Å; F135-Y169 HydrophobicContact CE2-CE2 4.36Å; F135-Y169 AromaticContact CZ-CD2 3.86Å; F135-Y169 HydrophobicContact CZ-CD2 3.86Å; F135-Y169 AromaticContact CZ-CE2 3.85Å; F135-Y169 HydrophobicContact CZ-CE2 3.85Å; S147-Y169 PolarHBondContact O-OH 2.89Å; S147-Y169 WeakPolarHBondContact OG-CE2 3.24Å; S147-Y169 PolarHBondContact OG-OH 3.18Å; I150-Y169 HydrophobicContact CB-CE2 4.22Å; I150-Y169 HydrophobicContact CD1-CE2 4.5Å; I150-Y169 HydrophobicContact CG2-CD1 3.84Å; I150-Y169 HydrophobicContact CG2-CD2 3.92Å; I150-Y169 HydrophobicContact CG2-CE1 3.83Å; I150-Y169 HydrophobicContact CG2-CE2 3.9Å; I150-Y169 HydrophobicContact CG2-CG 3.89Å; A151-Y169 HydrophobicContact CB-CE1 4.43Å; D165-Y169 WeakPolarHBondContact O-CB 3.25Å; D165-Y169 PolarHBondContact O-N 3.28Å; L166-Y169 PolarHBondContact O-N 3.46Å; Y169-W172 HydrophobicContact CD2-CE3 4.48Å; Y169-W172 HydrophobicContact CE2-CE3 4.17Å; Y169-W172 WeakPolarHBondContact O-CB 3.4Å; Y169-W172 PolarHBondContact O-N 3.38Å; Y169-L173 HydrophobicContact CD1-CD1 4.12Å; Y169-L173 HydrophobicContact CD2-CG 4.47Å; Y169-L173 HydrophobicContact CE1-CD1 3.61Å; Y169-L173 HydrophobicContact CE1-CG 4.22Å; Y169-L173 HydrophobicContact CE2-CD1 4.33Å; Y169-L173 HydrophobicContact CE2-CD2 4.23Å; Y169-L173 HydrophobicContact CE2-CG 4.03Å; Y169-L173 WeakPolarHBondContact O-CG 3.25Å; Y169-L173 PolarHBondContact O-N 2.96Å; Y169-M195 HydrophobicContact CD1-CE 3.92Å; Y169-M195 HydrophobicContact CD1-SD 4.33Å; Y169-M195 HydrophobicContact CE1-CE 4.13Å; Y169-M195 HydrophobicContact CE1-CG 4.06Å; Y169-M195 HydrophobicContact CE1-SD 3.93Å
170	L	98.5	Very high	96.6	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-66.4	-39.5	177.1	-69.2	176.7	0	0	0	111.9	L166 W172 L173 R174 L192 M195 Q204 F205 V208	L166-L170 HydrophobicContact CD1-CD1 3.76Å; L166-L170 HydrophobicContact CD1-CD2 4.46Å; L166-L170 HydrophobicContact CD1-CG 3.89Å; L166-L170 HydrophobicContact CG-CD1 3.83Å; L166-L170 HydrophobicContact CG-CG 4.31Å; L166-L170 WeakPolarHBondContact O-CB 3.4Å; L166-L170 VanDerWaalsContact O-CG 3.26Å; L166-L170 WeakPolarHBondContact O-CG 3.36Å; L166-L170 PolarHBondContact O-N 3.33Å; L170-W172 VanDerWaalsContact C-N 3.33Å; L170-L173 HydrophobicContact CD2-CD1 4.42Å; L170-L173 PolarHBondContact O-N 2.85Å; L170-R174 WeakPolarHBondContact O-CB 3.14Å; L170-R174 PolarHBondContact O-N 3.31Å; L170-L192 HydrophobicContact CD2-CD1 4.39Å; L170-M195 HydrophobicContact CD2-CB 4.45Å; L170-Q204 HydrophobicContact CD1-CB 3.91Å; L170-F205 HydrophobicContact CB-CD2 4.49Å; L170-F205 HydrophobicContact CD1-CB 4.08Å; L170-F205 HydrophobicContact CD2-CD2 4.15Å; L170-V208 HydrophobicContact CB-CG2 4.27Å
171	N	98	Very high	96.2	Very high	37 Å²	37	57 Å²	57	20%	0.198	29%	0.288	C	S	.	.	H	α-helix	trans	-61.5	-43.3	172	-82.5	-54.9	0	0	0	111.4	I167 Y168 R174 E175 V208	I167-N171 WeakPolarHBondContact CG2-ND2 3.47Å; I167-N171 WeakPolarHBondContact O-CB 3.28Å; I167-N171 PolarHBondContact O-N 3.49Å; I167-N171 PolarHBondContact O-ND2 2.94Å; Y168-N171 PolarHBondContact O-N 3.34Å; N171-R174 WeakPolarHBondContact O-CB 3.33Å; N171-R174 PolarHBondContact O-N 3.18Å; N171-R174 VanDerWaalsContact OD1-CZ 3.25Å; N171-R174 PolarHBondContact OD1-NH1 3.34Å; N171-R174 PolarHBondContact OD1-NH2 3.47Å; N171-E175 WeakPolarHBondContact O-CG 3.24Å; N171-E175 PolarHBondContact O-N 2.91Å; N171-V208 WeakPolarHBondContact OD1-CB 3.39Å
172	W	97.9	Very high	96	Very high	15 Å²	15	57.5 Å²	57.5	6%	0.057	29%	0.29	C	S	.	.	H	α-helix	trans	-60.9	-47.9	176.4	-176.5	86.7	0	0	0	111.6	F135 M143 Y144 S147 Y168 Y169 L170 R174 E175 Q176	F135-W172 HydrophobicContact CD1-CD2 4.42Å; F135-W172 AromaticContact CD1-CE2 3.87Å; F135-W172 AromaticContact CD1-CZ2 3.93Å; F135-W172 HydrophobicContact CD1-CZ2 3.93Å; F135-W172 HydrophobicContact CD2-CB 4.42Å; F135-W172 AromaticContact CD2-CD1 3.65Å; F135-W172 AromaticContact CD2-CD2 3.94Å; F135-W172 HydrophobicContact CD2-CD2 3.94Å; F135-W172 AromaticContact CD2-CE2 3.97Å; F135-W172 AromaticContact CD2-CG 3.73Å; F135-W172 HydrophobicContact CD2-CG 3.73Å; F135-W172 AromaticContact CD2-NE1 3.78Å; F135-W172 HydrophobicContact CE1-CD2 4.35Å; F135-W172 HydrophobicContact CE1-CH2 4.28Å; F135-W172 HydrophobicContact CE1-CZ2 4.12Å; F135-W172 HydrophobicContact CE2-CB 4.34Å; F135-W172 AromaticContact CE2-CD2 3.85Å; F135-W172 HydrophobicContact CE2-CD2 3.85Å; F135-W172 HydrophobicContact CE2-CE3 4.29Å; F135-W172 AromaticContact CE2-CG 3.87Å; F135-W172 HydrophobicContact CE2-CG 3.87Å; F135-W172 AromaticContact CG-CD1 3.94Å; F135-W172 HydrophobicContact CG-CD2 4.23Å; F135-W172 AromaticContact CG-CE2 3.78Å; F135-W172 HydrophobicContact CG-CG 4.31Å; F135-W172 HydrophobicContact CG-CZ2 4.29Å; F135-W172 AromaticContact CG-NE1 3.58Å; F135-W172 HydrophobicContact CZ-CD2 4.06Å; F135-W172 HydrophobicContact CZ-CE3 4.13Å; F135-W172 HydrophobicContact CZ-CZ3 4.48Å; M143-W172 HydrophobicContact CE-CZ2 4.12Å; M143-W172 HydrophobicContact CG-CH2 4.28Å; M143-W172 HydrophobicContact CG-CZ2 3.57Å; M143-W172 HydrophobicContact SD-CZ2 3.82Å; Y144-W172 AromaticContact CD1-CH2 3.81Å; Y144-W172 HydrophobicContact CD1-CH2 3.81Å; Y144-W172 AromaticContact CE1-CH2 3.83Å; Y144-W172 HydrophobicContact CE1-CH2 3.83Å; Y144-W172 HydrophobicContact CE1-CZ2 4.41Å; S147-W172 WeakPolarHBondContact OG-CZ3 3.35Å; Y168-W172 PolarHBondContact O-N 2.95Å; Y169-W172 HydrophobicContact CD2-CE3 4.48Å; Y169-W172 HydrophobicContact CE2-CE3 4.17Å; Y169-W172 WeakPolarHBondContact O-CB 3.4Å; Y169-W172 PolarHBondContact O-N 3.38Å; L170-W172 VanDerWaalsContact C-N 3.33Å; W172-R174 VanDerWaalsContact C-N 3.32Å; W172-R174 PolarHBondContact O-N 3.41Å; W172-E175 PolarHBondContact O-N 3.24Å; W172-Q176 HydrophobicContact CD2-CG 3.77Å; W172-Q176 HydrophobicContact CE3-CG 3.81Å; W172-Q176 HydrophobicContact CH2-CG 3.49Å; W172-Q176 VanDerWaalsContact CH2-CG 3.49Å; W172-Q176 HydrophobicContact CZ2-CG 3.41Å; W172-Q176 VanDerWaalsContact CZ2-CG 3.41Å; W172-Q176 HydrophobicContact CZ3-CG 3.65Å; W172-Q176 VanDerWaalsContact O-CG 3.32Å; W172-Q176 WeakPolarHBondContact O-CG 3.3Å; W172-Q176 PolarHBondContact O-N 3.09Å
173	L	98.3	Very high	95.9	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-57.8	-45	176.4	-75.3	174.3	0	0	0	111.6	Y169 L170 Q176 L177 V188 N191 L192 M195	Y169-L173 HydrophobicContact CD1-CD1 4.12Å; Y169-L173 HydrophobicContact CD2-CG 4.47Å; Y169-L173 HydrophobicContact CE1-CD1 3.61Å; Y169-L173 HydrophobicContact CE1-CG 4.22Å; Y169-L173 HydrophobicContact CE2-CD1 4.33Å; Y169-L173 HydrophobicContact CE2-CD2 4.23Å; Y169-L173 HydrophobicContact CE2-CG 4.03Å; Y169-L173 WeakPolarHBondContact O-CG 3.25Å; Y169-L173 PolarHBondContact O-N 2.96Å; L170-L173 HydrophobicContact CD2-CD1 4.42Å; L170-L173 PolarHBondContact O-N 2.85Å; L173-Q176 PolarHBondContact O-N 3.04Å; L173-L177 WeakPolarHBondContact O-CG 3.36Å; L173-L177 PolarHBondContact O-N 2.58Å; L173-L177 VanDerWaalsContact O-N 3.1Å; L173-V188 HydrophobicContact CB-CG1 4.4Å; L173-V188 HydrophobicContact CD2-CG1 3.82Å; L173-V188 WeakPolarHBondContact O-CG1 3.47Å; L173-N191 HydrophobicContact CD2-CB 4Å; L173-L192 HydrophobicContact CD1-CB 4.5Å; L173-L192 HydrophobicContact CD1-CD1 4.4Å; L173-M195 HydrophobicContact CD1-CG 4.34Å
174	R	97.5	Very high	95.9	Very high	61 Å²	61	53.6 Å²	53.6	23%	0.23	27%	0.271	C	S	.	.	H	α-helix	trans	-57.3	-49.2	176.3	-176.6	-163.1	68.1	-176.2	-4.4	111.2	L170 N171 W172 Q176 L177 T178 V208 T213	L170-R174 WeakPolarHBondContact O-CB 3.14Å; L170-R174 PolarHBondContact O-N 3.31Å; N171-R174 WeakPolarHBondContact O-CB 3.33Å; N171-R174 PolarHBondContact O-N 3.18Å; N171-R174 VanDerWaalsContact OD1-CZ 3.25Å; N171-R174 PolarHBondContact OD1-NH1 3.34Å; N171-R174 PolarHBondContact OD1-NH2 3.47Å; W172-R174 VanDerWaalsContact C-N 3.32Å; W172-R174 PolarHBondContact O-N 3.41Å; R174-Q176 VanDerWaalsContact C-N 3.33Å; R174-Q176 PolarHBondContact O-N 2.99Å; R174-L177 WeakPolarHBondContact O-CB 3.2Å; R174-L177 PolarHBondContact O-N 3.16Å; R174-T178 PolarHBondContact O-N 3.43Å; R174-V208 VanDerWaalsContact CD-O 3.27Å; R174-V208 WeakPolarHBondContact CD-O 3.25Å; R174-V208 PolarHBondContact NH1-O 3.38Å; R174-T213 VanDerWaalsContact CD-OG1 3.28Å; R174-T213 WeakPolarHBondContact CD-OG1 3.38Å; R174-T213 HydrophobicContact CG-CG2 3.58Å; R174-T213 WeakPolarHBondContact CG-OG1 2.91Å
175	E	96.8	Very high	95.8	Very high	96 Å²	96	49.1 Å²	49.1	45%	0.449	25%	0.247	S	C	.	.	H	α-helix	trans	-62.7	-38.1	177.3	-73	168.4	-168.1	0	0	112.3	N171 W172 L177 T178	N171-E175 WeakPolarHBondContact O-CG 3.24Å; N171-E175 PolarHBondContact O-N 2.91Å; W172-E175 PolarHBondContact O-N 3.24Å; E175-L177 VanDerWaalsContact C-N 3.28Å; E175-L177 PolarHBondContact O-N 3.12Å; E175-T178 PolarHBondContact O-N 2.79Å; E175-T178 PolarHBondContact O-OG1 2.89Å
176	Q	97	Very high	95.6	Very high	19 Å²	19	49.5 Å²	49.5	9%	0.089	25%	0.248	C	C	.	.	H	α-helix	trans	-69.3	-25.6	177.7	-62.5	-42.9	-75.2	0	0	113.3	Y144 W172 L173 R174 T178 I179 N182 V188	Y144-Q176 HydrophobicContact CE1-CB 4.34Å; Y144-Q176 HydrophobicContact CE1-CG 4.15Å; Y144-Q176 PolarHBondContact OH-OE1 3.48Å; W172-Q176 HydrophobicContact CD2-CG 3.77Å; W172-Q176 HydrophobicContact CE3-CG 3.81Å; W172-Q176 HydrophobicContact CH2-CG 3.49Å; W172-Q176 VanDerWaalsContact CH2-CG 3.49Å; W172-Q176 HydrophobicContact CZ2-CG 3.41Å; W172-Q176 VanDerWaalsContact CZ2-CG 3.41Å; W172-Q176 HydrophobicContact CZ3-CG 3.65Å; W172-Q176 VanDerWaalsContact O-CG 3.32Å; W172-Q176 WeakPolarHBondContact O-CG 3.3Å; W172-Q176 PolarHBondContact O-N 3.09Å; L173-Q176 PolarHBondContact O-N 3.04Å; R174-Q176 VanDerWaalsContact C-N 3.33Å; R174-Q176 PolarHBondContact O-N 2.99Å; Q176-T178 VanDerWaalsContact C-N 3.34Å; Q176-I179 VanDerWaalsContact OE1-CD1 3.27Å; Q176-N182 PolarHBondContact O-ND2 3.48Å; Q176-V188 HydrophobicContact CB-CB 4.46Å; Q176-V188 HydrophobicContact CB-CG1 3.88Å; Q176-V188 HydrophobicContact CB-CG2 3.71Å; Q176-V188 HydrophobicContact CG-CG2 4.48Å
177	L	96.5	Very high	95.5	Very high	11 Å²	11	49.5 Å²	49.5	6%	0.058	25%	0.248	C	C	.	.	H	α-helix	trans	-70.7	-28.6	175	-72.1	176	0	0	0	112.6	L173 R174 E175 I179 V188 A189 L192 T213 V217 L231	L173-L177 WeakPolarHBondContact O-CG 3.36Å; L173-L177 PolarHBondContact O-N 2.58Å; L173-L177 VanDerWaalsContact O-N 3.1Å; R174-L177 WeakPolarHBondContact O-CB 3.2Å; R174-L177 PolarHBondContact O-N 3.16Å; E175-L177 VanDerWaalsContact C-N 3.28Å; E175-L177 PolarHBondContact O-N 3.12Å; L177-I179 VanDerWaalsContact C-N 3.35Å; L177-V188 HydrophobicContact CD2-CB 4.12Å; L177-V188 HydrophobicContact CD2-CG1 3.65Å; L177-V188 HydrophobicContact CG-CG1 3.7Å; L177-A189 HydrophobicContact CD2-CB 4.32Å; L177-L192 HydrophobicContact CD1-CD2 3.84Å; L177-T213 HydrophobicContact CB-CG2 4.49Å; L177-V217 HydrophobicContact CB-CG2 4.27Å; L177-V217 WeakPolarHBondContact O-CG2 3.39Å; L177-L231 HydrophobicContact CD1-CD2 4.15Å; L177-L231 HydrophobicContact CD2-CD2 4.19Å
178	T	95.8	Very high	95.5	Very high	81 Å²	81	47.1 Å²	47.1	50%	0.497	24%	0.236	S	C	.	.	H	α-helix	trans	-85.1	-8.4	-178.5	63.1	0	0	0	0	113.4	R174 E175 Q176 T180 T213	R174-T178 PolarHBondContact O-N 3.43Å; E175-T178 PolarHBondContact O-N 2.79Å; E175-T178 PolarHBondContact O-OG1 2.89Å; Q176-T178 VanDerWaalsContact C-N 3.34Å; T178-T180 PolarHBondContact O-N 3.12Å; T178-T213 HydrophobicContact CG2-CG2 3.61Å
179	I	94.4	Very high	95.4	Very high	79 Å²	79	42.6 Å²	42.6	41%	0.405	22%	0.218	S	C	.	.	S	Bend	trans	-69.3	114.4	176.5	-61.7	174.7	0	0	0	109.4	Q176 L177 N182	Q176-I179 VanDerWaalsContact OE1-CD1 3.27Å; L177-I179 VanDerWaalsContact C-N 3.35Å; I179-N182 HydrophobicContact CB-CB 4.08Å; I179-N182 HydrophobicContact CG2-CB 4.02Å; I179-N182 WeakPolarHBondContact O-CB 3.46Å; I179-N182 PolarHBondContact O-N 3.21Å
180	T	88.6	Confident	95.3	Very high	113 Å²	113	47.2 Å²	47.2	69%	0.693	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	137.1	176.2	-43.8	0	0	0	0	111.4	T178 N182	T178-T180 PolarHBondContact O-N 3.12Å; T180-N182 PolarHBondContact O-N 3.42Å
181	N	87.4	Confident	95.2	Very high	133 Å²	133	47.3 Å²	47.3	71%	0.711	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	32	179	-65.1	-21.4	0	0	0	114.3	Q183	N181-Q183 PolarHBondContact O-N 3.36Å
182	N	92.1	Very high	95.2	Very high	17 Å²	17	45.6 Å²	45.6	9%	0.091	23%	0.227	C	C	.	.			trans	-67.2	111.6	174.3	-175.1	-0.7	0	0	0	111.1	Y144 Q176 I179 T180 Y184 D185	Y144-N182 PolarHBondContact OH-ND2 3.5Å; Y144-N182 PolarHBondContact OH-OD1 2.99Å; Q176-N182 PolarHBondContact O-ND2 3.48Å; I179-N182 HydrophobicContact CB-CB 4.08Å; I179-N182 HydrophobicContact CG2-CB 4.02Å; I179-N182 WeakPolarHBondContact O-CB 3.46Å; I179-N182 PolarHBondContact O-N 3.21Å; T180-N182 PolarHBondContact O-N 3.42Å; N182-Y184 PolarHBondContact O-N 3.27Å; N182-Y184 PolarHBondContact OD1-N 3.39Å; N182-D185 HydrophobicContact CB-CB 4.34Å; N182-D185 VanDerWaalsContact O-CB 3.26Å; N182-D185 WeakPolarHBondContact O-CB 3.24Å; N182-D185 PolarHBondContact O-N 3.08Å; N182-D185 VanDerWaalsContact O-N 3.08Å
183	Q	93	Very high	95.2	Very high	127 Å²	127	44.9 Å²	44.9	59%	0.593	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-15.2	178.3	-65.5	179.8	-25.1	0	0	113.9	F23 N181	F23-Q183 VanDerWaalsContact CB-O 3.29Å; F23-Q183 WeakPolarHBondContact CB-O 3.47Å; F23-Q183 HydrophobicContact CD1-CB 4.15Å; F23-Q183 HydrophobicContact CG-CB 4.32Å; N181-Q183 PolarHBondContact O-N 3.36Å
184	Y	95.4	Very high	95	Very high	20 Å²	20	46.3 Å²	46.3	8%	0.078	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	6.9	-179.1	-60.4	-95.6	0	0	0	113.1	F23 L24 P140 F141 Y144 N182 Q186 T187 V188	F23-Y184 HydrophobicContact CD1-CD1 4.24Å; F23-Y184 AromaticContact CD1-CE1 3.76Å; F23-Y184 HydrophobicContact CD1-CE1 3.76Å; F23-Y184 HydrophobicContact CD1-CE2 4.07Å; F23-Y184 AromaticContact CD1-CZ 3.67Å; F23-Y184 HydrophobicContact CE1-CE1 4.14Å; F23-Y184 HydrophobicContact CE1-CE2 4.05Å; F23-Y184 AromaticContact CE1-CZ 3.64Å; F23-Y184 WeakPolarHBondContact CE1-OH 3.35Å; L24-Y184 HydrophobicContact CB-CD1 4.03Å; L24-Y184 HydrophobicContact CB-CE1 4.26Å; L24-Y184 HydrophobicContact CD1-CD1 4.11Å; L24-Y184 HydrophobicContact CD1-CE1 3.83Å; P140-Y184 HydrophobicContact CB-CE2 3.81Å; F141-Y184 PolarHBondContact N-OH 3.02Å; Y144-Y184 HydrophobicContact CD1-CG 4.19Å; Y144-Y184 VanDerWaalsContact CD2-CB 3.45Å; Y144-Y184 AromaticContact CD2-CD1 3.41Å; Y144-Y184 HydrophobicContact CD2-CD1 3.41Å; Y144-Y184 VanDerWaalsContact CD2-CD1 3.41Å; Y144-Y184 AromaticContact CD2-CD2 3.34Å; Y144-Y184 HydrophobicContact CD2-CD2 3.34Å; Y144-Y184 AromaticContact CD2-CE1 3.89Å; Y144-Y184 HydrophobicContact CD2-CE1 3.89Å; Y144-Y184 AromaticContact CD2-CE2 3.83Å; Y144-Y184 HydrophobicContact CD2-CE2 3.83Å; Y144-Y184 AromaticContact CD2-CG 3.1Å; Y144-Y184 HydrophobicContact CD2-CG 3.1Å; Y144-Y184 HydrophobicContact CE1-CG 4.42Å; Y144-Y184 HydrophobicContact CE2-CD1 4.2Å; Y144-Y184 AromaticContact CE2-CD2 3.28Å; Y144-Y184 HydrophobicContact CE2-CD2 3.28Å; Y144-Y184 AromaticContact CE2-CE2 3.97Å; Y144-Y184 HydrophobicContact CE2-CE2 3.97Å; Y144-Y184 AromaticContact CE2-CG 3.42Å; Y144-Y184 HydrophobicContact CE2-CG 3.42Å; Y144-Y184 VanDerWaalsContact CE2-CG 3.42Å; Y144-Y184 VanDerWaalsContact CG-CB 3.5Å; Y144-Y184 AromaticContact CG-CD1 3.63Å; Y144-Y184 HydrophobicContact CG-CD1 3.63Å; Y144-Y184 HydrophobicContact CG-CD2 4.25Å; Y144-Y184 HydrophobicContact CG-CE1 4.36Å; Y144-Y184 AromaticContact CG-CG 3.55Å; Y144-Y184 HydrophobicContact CG-CG 3.55Å; N182-Y184 PolarHBondContact O-N 3.27Å; N182-Y184 PolarHBondContact OD1-N 3.39Å; Y184-Q186 VanDerWaalsContact C-N 3.3Å; Y184-Q186 PolarHBondContact O-N 3.47Å; Y184-T187 WeakPolarHBondContact O-CA 3.38Å; Y184-T187 VanDerWaalsContact O-CB 3.26Å; Y184-T187 WeakPolarHBondContact O-CB 3.28Å; Y184-T187 PolarHBondContact O-N 3.02Å; Y184-V188 PolarHBondContact O-N 3.31Å
185	D	94.3	Very high	95	Very high	36 Å²	36	43.4 Å²	43.4	19%	0.193	22%	0.22	C	C	.	.	H	α-helix	trans	-45.8	-47.7	178.4	62.4	-16.3	0	0	0	113.6	N182 T187 V188 A189 L227	N182-D185 HydrophobicContact CB-CB 4.34Å; N182-D185 VanDerWaalsContact O-CB 3.26Å; N182-D185 WeakPolarHBondContact O-CB 3.24Å; N182-D185 PolarHBondContact O-N 3.08Å; N182-D185 VanDerWaalsContact O-N 3.08Å; D185-T187 PolarHBondContact O-N 2.88Å; D185-V188 WeakPolarHBondContact O-CB 3.03Å; D185-V188 PolarHBondContact O-N 3.12Å; D185-V188 VanDerWaalsContact O-N 3.14Å; D185-A189 WeakPolarHBondContact O-CB 3.38Å; D185-A189 PolarHBondContact O-N 3.03Å; D185-L227 HydrophobicContact CB-CD2 4.17Å
186	Q	94.1	Very high	95	Very high	43 Å²	43	38.8 Å²	38.8	20%	0.201	20%	0.199	C	C	.	.	H	α-helix	trans	-64.6	-29.6	179.6	-67.8	175.9	30.4	0	0	112.4	Y184 R190 Q226 Q230	Y184-Q186 VanDerWaalsContact C-N 3.3Å; Y184-Q186 PolarHBondContact O-N 3.47Å; Q186-R190 VanDerWaalsContact O-CB 3.23Å; Q186-R190 WeakPolarHBondContact O-CB 3.4Å; Q186-R190 PolarHBondContact O-N 3.05Å; Q186-Q226 HydrophobicContact CG-CG 4.17Å; Q186-Q230 PolarHBondContact O-NE2 3.17Å
187	T	95.5	Very high	94.9	Very high	6 Å²	6	40.2 Å²	40.2	4%	0.037	20%	0.203	C	C	.	.	H	α-helix	trans	-73	-46.2	174.3	-57.8	0	0	0	0	110.1	L24 Y184 D185 A189 R190 N191	L24-T187 HydrophobicContact CB-CG2 4.48Å; L24-T187 WeakPolarHBondContact CB-OG1 3.47Å; L24-T187 HydrophobicContact CD2-CG2 3.4Å; Y184-T187 WeakPolarHBondContact O-CA 3.38Å; Y184-T187 VanDerWaalsContact O-CB 3.26Å; Y184-T187 WeakPolarHBondContact O-CB 3.28Å; Y184-T187 PolarHBondContact O-N 3.02Å; D185-T187 PolarHBondContact O-N 2.88Å; T187-A189 VanDerWaalsContact C-N 3.31Å; T187-A189 PolarHBondContact O-N 2.91Å; T187-R190 PolarHBondContact O-N 3.49Å; T187-N191 VanDerWaalsContact O-CG 3.23Å; T187-N191 PolarHBondContact O-N 3.39Å; T187-N191 PolarHBondContact O-OD1 3.21Å
188	V	97.4	Very high	94.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-57.3	-48.7	176.6	179.5	0	0	0	0	109.9	Y144 L173 Q176 L177 Y184 D185 R190 N191 L192	Y144-V188 HydrophobicContact CD1-CG2 3.83Å; Y144-V188 HydrophobicContact CE1-CG2 3.44Å; Y144-V188 VanDerWaalsContact CE1-CG2 3.44Å; L173-V188 HydrophobicContact CB-CG1 4.4Å; L173-V188 HydrophobicContact CD2-CG1 3.82Å; L173-V188 WeakPolarHBondContact O-CG1 3.47Å; Q176-V188 HydrophobicContact CB-CB 4.46Å; Q176-V188 HydrophobicContact CB-CG1 3.88Å; Q176-V188 HydrophobicContact CB-CG2 3.71Å; Q176-V188 HydrophobicContact CG-CG2 4.48Å; L177-V188 HydrophobicContact CD2-CB 4.12Å; L177-V188 HydrophobicContact CD2-CG1 3.65Å; L177-V188 HydrophobicContact CG-CG1 3.7Å; Y184-V188 PolarHBondContact O-N 3.31Å; D185-V188 WeakPolarHBondContact O-CB 3.03Å; D185-V188 PolarHBondContact O-N 3.12Å; D185-V188 VanDerWaalsContact O-N 3.14Å; V188-R190 PolarHBondContact O-N 3.5Å; V188-N191 PolarHBondContact O-N 3.05Å; V188-L192 PolarHBondContact O-N 2.98Å
189	A	97	Very high	94.7	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.2	-42.1	176.7	0	0	0	0	0	111.7	L177 D185 T187 N191 L192 Q193 L227 Q230 L231	L177-A189 HydrophobicContact CD2-CB 4.32Å; D185-A189 WeakPolarHBondContact O-CB 3.38Å; D185-A189 PolarHBondContact O-N 3.03Å; T187-A189 VanDerWaalsContact C-N 3.31Å; T187-A189 PolarHBondContact O-N 2.91Å; A189-N191 PolarHBondContact O-N 2.99Å; A189-L192 WeakPolarHBondContact O-CB 3.38Å; A189-L192 PolarHBondContact O-N 3.24Å; A189-Q193 VanDerWaalsContact O-CG 3.32Å; A189-Q193 WeakPolarHBondContact O-CG 3.33Å; A189-Q193 PolarHBondContact O-N 3.4Å; A189-L227 HydrophobicContact CB-CD1 3.52Å; A189-Q230 HydrophobicContact CB-CB 3.77Å; A189-Q230 HydrophobicContact CB-CG 4.47Å; A189-L231 HydrophobicContact CB-CD2 4.29Å
190	R	96	Very high	94.7	Very high	98 Å²	98	45.5 Å²	45.5	37%	0.37	22%	0.215	S	C	.	.	H	α-helix	trans	-62.6	-41.4	176.3	-174.5	60.4	174.6	165.2	4.1	112.5	E12 Q186 T187 V188 L192 Q193 M194	E12-R190 IonicContact OE1-NH1 2.9Å; E12-R190 IonicContact OE1-NH2 3.4Å; E12-R190 PolarHBondContact OE1-NH2 3.04Å; Q186-R190 VanDerWaalsContact O-CB 3.23Å; Q186-R190 WeakPolarHBondContact O-CB 3.4Å; Q186-R190 PolarHBondContact O-N 3.05Å; T187-R190 PolarHBondContact O-N 3.49Å; V188-R190 PolarHBondContact O-N 3.5Å; R190-L192 VanDerWaalsContact C-N 3.33Å; R190-Q193 VanDerWaalsContact CD-OE1 3.27Å; R190-Q193 WeakPolarHBondContact O-CB 3.49Å; R190-Q193 PolarHBondContact O-N 3.42Å; R190-M194 PolarHBondContact O-N 2.75Å; R190-M194 VanDerWaalsContact O-N 3.1Å
191	N	97	Very high	95.1	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.011	18%	0.182	C	C	.	.	H	α-helix	trans	-62.1	-45	175	-68	-8.6	0	0	0	109.9	S147 R148 A151 L173 T187 V188 A189 Q193 M194 M195	S147-N191 PolarHBondContact OG-ND2 3.46Å; S147-N191 VanDerWaalsContact OG-ND2 3.11Å; R148-N191 WeakPolarHBondContact CA-ND2 3.36Å; R148-N191 PolarHBondContact N-ND2 3.38Å; A151-N191 HydrophobicContact CB-CB 3.96Å; L173-N191 HydrophobicContact CD2-CB 4Å; T187-N191 VanDerWaalsContact O-CG 3.23Å; T187-N191 PolarHBondContact O-N 3.39Å; T187-N191 PolarHBondContact O-OD1 3.21Å; V188-N191 PolarHBondContact O-N 3.05Å; A189-N191 PolarHBondContact O-N 2.99Å; N191-Q193 PolarHBondContact O-N 2.94Å; N191-M194 WeakPolarHBondContact O-CB 3.16Å; N191-M194 PolarHBondContact O-N 3.09Å; N191-M194 VanDerWaalsContact O-N 3.12Å; N191-M195 WeakPolarHBondContact O-CG 3.46Å; N191-M195 PolarHBondContact O-N 2.94Å
192	L	97.9	Very high	95.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.3	-42.3	176	-175.5	62.3	0	0	0	112.3	L170 L173 L177 V188 A189 R190 M194 M195 L196 F205 I214 C234	L170-L192 HydrophobicContact CD2-CD1 4.39Å; L173-L192 HydrophobicContact CD1-CB 4.5Å; L173-L192 HydrophobicContact CD1-CD1 4.4Å; L177-L192 HydrophobicContact CD1-CD2 3.84Å; V188-L192 PolarHBondContact O-N 2.98Å; A189-L192 WeakPolarHBondContact O-CB 3.38Å; A189-L192 PolarHBondContact O-N 3.24Å; R190-L192 VanDerWaalsContact C-N 3.33Å; L192-M194 VanDerWaalsContact C-N 3.26Å; L192-M194 PolarHBondContact O-N 2.7Å; L192-M195 PolarHBondContact O-N 3Å; L192-M195 VanDerWaalsContact O-N 3.14Å; L192-L196 HydrophobicContact CD1-CD1 3.88Å; L192-L196 HydrophobicContact CD1-CD2 4.19Å; L192-L196 HydrophobicContact CD1-CG 3.81Å; L192-L196 HydrophobicContact CD2-CD1 4.34Å; L192-L196 HydrophobicContact CG-CD1 3.81Å; L192-L196 HydrophobicContact CG-CG 4.11Å; L192-L196 WeakPolarHBondContact O-CG 3.42Å; L192-L196 PolarHBondContact O-N 3.07Å; L192-F205 HydrophobicContact CD1-CD2 3.81Å; L192-F205 HydrophobicContact CD1-CE1 4.49Å; L192-F205 HydrophobicContact CD1-CE2 3.54Å; L192-F205 HydrophobicContact CD1-CG 4.39Å; L192-F205 HydrophobicContact CD1-CZ 3.92Å; L192-F205 HydrophobicContact CD2-CE1 4.37Å; L192-F205 HydrophobicContact CD2-CE2 3.95Å; L192-F205 HydrophobicContact CD2-CZ 3.62Å; L192-F205 HydrophobicContact CG-CE2 4.4Å; L192-F205 HydrophobicContact CG-CZ 4.36Å; L192-I214 HydrophobicContact CD2-CD1 4.33Å; L192-C234 HydrophobicContact CD2-CB 4.46Å
193	Q	97	Very high	95.8	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-57.2	-39.2	173.7	-69	-177.8	-58.5	0	0	112.1	A189 R190 N191 R197 Q230 F233	A189-Q193 VanDerWaalsContact O-CG 3.32Å; A189-Q193 WeakPolarHBondContact O-CG 3.33Å; A189-Q193 PolarHBondContact O-N 3.4Å; R190-Q193 VanDerWaalsContact CD-OE1 3.27Å; R190-Q193 WeakPolarHBondContact O-CB 3.49Å; R190-Q193 PolarHBondContact O-N 3.42Å; N191-Q193 PolarHBondContact O-N 2.94Å; Q193-R197 WeakPolarHBondContact O-CG 3.44Å; Q193-Q230 HydrophobicContact CG-CB 4.4Å; Q193-F233 HydrophobicContact CB-CD1 3.9Å; Q193-F233 HydrophobicContact CB-CE1 4Å; Q193-F233 HydrophobicContact CG-CB 4.48Å; Q193-F233 HydrophobicContact CG-CD1 3.6Å; Q193-F233 HydrophobicContact CG-CE1 4.22Å; Q193-F233 HydrophobicContact CG-CG 4.26Å; Q193-F233 VanDerWaalsContact NE2-CB 3.28Å
194	M	95	Very high	96	Very high	29 Å²	29	31.5 Å²	31.5	14%	0.143	14%	0.14	C	C	.	.	H	α-helix	trans	-65	-47.9	175.4	-69.7	177.3	55.4	0	0	111	A151 K152 C155 W156 R190 N191 L192 L196 R197	A151-M194 HydrophobicContact CB-CE 4.5Å; K152-M194 HydrophobicContact CG-CE 3.96Å; C155-M194 HydrophobicContact CB-CE 4.38Å; C155-M194 VanDerWaalsContact SG-C 3.5Å; C155-M194 PolarHBondContact SG-O 2.91Å; C155-M194 VanDerWaalsContact SG-O 3.4Å; W156-M194 HydrophobicContact CZ2-CE 3.95Å; R190-M194 PolarHBondContact O-N 2.75Å; R190-M194 VanDerWaalsContact O-N 3.1Å; N191-M194 WeakPolarHBondContact O-CB 3.16Å; N191-M194 PolarHBondContact O-N 3.09Å; N191-M194 VanDerWaalsContact O-N 3.12Å; L192-M194 VanDerWaalsContact C-N 3.26Å; L192-M194 PolarHBondContact O-N 2.7Å; M194-L196 PolarHBondContact O-N 3.12Å; M194-R197 WeakPolarHBondContact O-CB 3.43Å; M194-R197 PolarHBondContact O-N 3.09Å
195	M	97.4	Very high	96.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61	-46.3	-178.7	-64.2	-61.3	-69.9	0	0	112	A151 A154 L166 Y169 L170 L173 N191 L192 R197 I198 Y201	A151-M195 HydrophobicContact CB-SD 4.37Å; A154-M195 HydrophobicContact CB-CE 3.82Å; A154-M195 HydrophobicContact CB-SD 3.66Å; L166-M195 HydrophobicContact CD1-CE 3.56Å; Y169-M195 HydrophobicContact CD1-CE 3.92Å; Y169-M195 HydrophobicContact CD1-SD 4.33Å; Y169-M195 HydrophobicContact CE1-CE 4.13Å; Y169-M195 HydrophobicContact CE1-CG 4.06Å; Y169-M195 HydrophobicContact CE1-SD 3.93Å; L170-M195 HydrophobicContact CD2-CB 4.45Å; L173-M195 HydrophobicContact CD1-CG 4.34Å; N191-M195 WeakPolarHBondContact O-CG 3.46Å; N191-M195 PolarHBondContact O-N 2.94Å; L192-M195 PolarHBondContact O-N 3Å; L192-M195 VanDerWaalsContact O-N 3.14Å; M195-R197 PolarHBondContact O-N 3.36Å; M195-R197 VanDerWaalsContact O-N 3.17Å; M195-I198 PolarHBondContact O-N 2.75Å; M195-I198 VanDerWaalsContact O-N 3.08Å; M195-Y201 HydrophobicContact CB-CD2 4.33Å; M195-Y201 HydrophobicContact CE-CD2 3.43Å; M195-Y201 VanDerWaalsContact CE-CD2 3.43Å; M195-Y201 HydrophobicContact CE-CE2 3.46Å; M195-Y201 VanDerWaalsContact CE-CE2 3.46Å; M195-Y201 HydrophobicContact CE-CG 4.29Å; M195-Y201 WeakPolarHBondContact O-CD2 3.19Å; M195-Y201 HydrophobicContact SD-CD2 4.2Å; M195-Y201 HydrophobicContact SD-CE2 4.14Å
196	L	96.9	Very high	96.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-5.4	-175.2	-62.2	-177.9	0	0	0	114.3	L192 M194 I198 R202 F205 C234 C237 M238	L192-L196 HydrophobicContact CD1-CD1 3.88Å; L192-L196 HydrophobicContact CD1-CD2 4.19Å; L192-L196 HydrophobicContact CD1-CG 3.81Å; L192-L196 HydrophobicContact CD2-CD1 4.34Å; L192-L196 HydrophobicContact CG-CD1 3.81Å; L192-L196 HydrophobicContact CG-CG 4.11Å; L192-L196 WeakPolarHBondContact O-CG 3.42Å; L192-L196 PolarHBondContact O-N 3.07Å; M194-L196 PolarHBondContact O-N 3.12Å; L196-I198 PolarHBondContact O-N 2.83Å; L196-R202 HydrophobicContact CD2-CG 4.36Å; L196-R202 PolarHBondContact O-NE 3.23Å; L196-R202 PolarHBondContact O-NH2 3.42Å; L196-F205 HydrophobicContact CD1-CD1 3.99Å; L196-F205 HydrophobicContact CD1-CE1 4.03Å; L196-F205 HydrophobicContact CD2-CB 3.66Å; L196-F205 HydrophobicContact CD2-CD1 3.74Å; L196-F205 HydrophobicContact CD2-CG 3.71Å; L196-F205 HydrophobicContact CG-CD1 4.49Å; L196-C234 HydrophobicContact CD1-CB 3.58Å; L196-C237 HydrophobicContact CB-CB 3.97Å; L196-M238 HydrophobicContact CD1-CG 4.36Å; L196-M238 HydrophobicContact CD1-SD 4.21Å; L196-M238 HydrophobicContact CD2-SD 3.92Å
197	R	94	Very high	96.4	Very high	48 Å²	48	34.3 Å²	34.3	18%	0.181	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-30.5	167.1	-72.7	165.8	179.8	-104.9	-9.9	111.7	V8 E12 Q193 M194 M195 R202	V8-R197 HydrophobicContact CG1-CG 4.37Å; E12-R197 IonicContact OE1-CZ 3.93Å; E12-R197 IonicContact OE1-NH1 3.31Å; E12-R197 PolarHBondContact OE1-NH1 3.19Å; E12-R197 IonicContact OE1-NH2 3.8Å; E12-R197 PolarHBondContact OE1-NH2 3.37Å; E12-R197 IonicContact OE2-CZ 3.76Å; E12-R197 IonicContact OE2-NH1 2.58Å; E12-R197 PolarHBondContact OE2-NH1 2.96Å; E12-R197 IonicContact OE2-NH2 3Å; E12-R197 PolarHBondContact OE2-NH2 2.96Å; Q193-R197 WeakPolarHBondContact O-CG 3.44Å; M194-R197 WeakPolarHBondContact O-CB 3.43Å; M194-R197 PolarHBondContact O-N 3.09Å; M195-R197 PolarHBondContact O-N 3.36Å; M195-R197 VanDerWaalsContact O-N 3.17Å; R197-R202 PolarHBondContact O-NH2 3.31Å
198	I	94.5	Very high	96.4	Very high	23 Å²	23	34.9 Å²	34.9	12%	0.118	16%	0.157	C	C	.	.	S	Bend	trans	-82.1	119.9	176.9	-64.8	177.4	0	0	0	108.6	C155 L160 M195 L196 E200 Y201	C155-I198 HydrophobicContact CB-CD1 4.19Å; L160-I198 HydrophobicContact CD2-CD1 4.15Å; L160-I198 HydrophobicContact CD2-CG2 3.83Å; M195-I198 PolarHBondContact O-N 2.75Å; M195-I198 VanDerWaalsContact O-N 3.08Å; L196-I198 PolarHBondContact O-N 2.83Å; I198-E200 VanDerWaalsContact C-N 3.3Å; I198-E200 HydrophobicContact CG2-CB 4.18Å; I198-E200 WeakPolarHBondContact CG2-OE2 3.26Å; I198-E200 PolarHBondContact O-N 2.74Å; I198-Y201 HydrophobicContact CB-CD2 3.69Å; I198-Y201 HydrophobicContact CB-CE2 4.13Å; I198-Y201 HydrophobicContact CB-CG 3.95Å; I198-Y201 HydrophobicContact CD1-CD2 3.96Å; I198-Y201 HydrophobicContact CD1-CE2 3.53Å; I198-Y201 HydrophobicContact CG1-CD2 4.32Å; I198-Y201 HydrophobicContact CG1-CE2 4.37Å; I198-Y201 HydrophobicContact CG2-CD1 3.94Å; I198-Y201 HydrophobicContact CG2-CD2 3.92Å; I198-Y201 HydrophobicContact CG2-CE1 4.17Å; I198-Y201 HydrophobicContact CG2-CE2 4.16Å; I198-Y201 HydrophobicContact CG2-CG 3.82Å; I198-Y201 PolarHBondContact O-N 2.94Å; I198-Y201 VanDerWaalsContact O-N 3.12Å
199	R	94	Very high	96.4	Very high	150 Å²	150	35.9 Å²	35.9	57%	0.566	17%	0.168	S	C	*	.	H	α-helix	trans	-58.7	-42.2	-175.1	-177.2	-179.2	-179.7	-157.5	-3.9	112	Y201 R202 D241	R199-Y201 PolarHBondContact O-N 3.38Å; R199-R202 WeakPolarHBondContact O-CB 3.22Å; R199-R202 PolarHBondContact O-N 3.22Å; R199-D241 IonicContact CZ-OD1 2.67Å; R199-D241 IonicContact NE-OD1 2.64Å; R199-D241 PolarHBondContact NE-OD1 2.81Å; R199-D241 VanDerWaalsContact NE-OD1 3.17Å; R199-D241 IonicContact NH2-OD1 3.14Å
200	E	93.7	Very high	96.4	Very high	110 Å²	110	35.9 Å²	35.9	51%	0.514	17%	0.168	S	C	.	.	H	α-helix	trans	-60.7	-29.8	-179.4	-64.7	78	-174.9	0	0	112	L160 I198	L160-E200 HydrophobicContact CD1-CB 3.91Å; L160-E200 HydrophobicContact CD1-CG 3.72Å; I198-E200 VanDerWaalsContact C-N 3.3Å; I198-E200 HydrophobicContact CG2-CB 4.18Å; I198-E200 WeakPolarHBondContact CG2-OE2 3.26Å; I198-E200 PolarHBondContact O-N 2.74Å
201	Y	97.5	Very high	96.5	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.008	15%	0.151	C	C	.	.	H	α-helix	trans	-80	-27.5	-179	-63.9	-6.9	0	0	0	112.6	A154 L160 M161 L166 M195 I198 R199 T203 Q204 F205	A154-Y201 HydrophobicContact CB-CE2 4.17Å; A154-Y201 PolarHBondContact O-OH 3.3Å; A154-Y201 VanDerWaalsContact O-OH 3.13Å; L160-Y201 HydrophobicContact CB-CE1 4.2Å; L160-Y201 HydrophobicContact CD2-CE1 4.08Å; M161-Y201 WeakPolarHBondContact CB-OH 3.42Å; M161-Y201 PolarHBondContact N-OH 3.29Å; L166-Y201 HydrophobicContact CD1-CD1 3.77Å; L166-Y201 HydrophobicContact CD1-CD2 4.15Å; L166-Y201 HydrophobicContact CD1-CE1 3.99Å; L166-Y201 HydrophobicContact CD1-CE2 4.35Å; L166-Y201 HydrophobicContact CD1-CG 3.85Å; L166-Y201 HydrophobicContact CD2-CD1 3.36Å; L166-Y201 HydrophobicContact CD2-CE1 3.72Å; L166-Y201 HydrophobicContact CD2-CG 4.14Å; L166-Y201 HydrophobicContact CG-CD1 4.22Å; L166-Y201 HydrophobicContact CG-CE1 4.47Å; M195-Y201 HydrophobicContact CB-CD2 4.33Å; M195-Y201 HydrophobicContact CE-CD2 3.43Å; M195-Y201 VanDerWaalsContact CE-CD2 3.43Å; M195-Y201 HydrophobicContact CE-CE2 3.46Å; M195-Y201 VanDerWaalsContact CE-CE2 3.46Å; M195-Y201 HydrophobicContact CE-CG 4.29Å; M195-Y201 WeakPolarHBondContact O-CD2 3.19Å; M195-Y201 HydrophobicContact SD-CD2 4.2Å; M195-Y201 HydrophobicContact SD-CE2 4.14Å; I198-Y201 HydrophobicContact CB-CD2 3.69Å; I198-Y201 HydrophobicContact CB-CE2 4.13Å; I198-Y201 HydrophobicContact CB-CG 3.95Å; I198-Y201 HydrophobicContact CD1-CD2 3.96Å; I198-Y201 HydrophobicContact CD1-CE2 3.53Å; I198-Y201 HydrophobicContact CG1-CD2 4.32Å; I198-Y201 HydrophobicContact CG1-CE2 4.37Å; I198-Y201 HydrophobicContact CG2-CD1 3.94Å; I198-Y201 HydrophobicContact CG2-CD2 3.92Å; I198-Y201 HydrophobicContact CG2-CE1 4.17Å; I198-Y201 HydrophobicContact CG2-CE2 4.16Å; I198-Y201 HydrophobicContact CG2-CG 3.82Å; I198-Y201 PolarHBondContact O-N 2.94Å; I198-Y201 VanDerWaalsContact O-N 3.12Å; R199-Y201 PolarHBondContact O-N 3.38Å; Y201-T203 VanDerWaalsContact C-N 3.34Å; Y201-T203 PolarHBondContact O-N 3.28Å; Y201-Q204 PolarHBondContact O-N 3.4Å; Y201-F205 PolarHBondContact O-N 2.91Å
202	R	97.4	Very high	96.4	Very high	9 Å²	9	35.5 Å²	35.5	3%	0.034	17%	0.17	C	C	.	.	H	α-helix	trans	-60	-44.3	177.7	-60.7	176.2	-166.2	158.6	1.7	111.8	L196 R197 R199 Q204 F205 A206 C237 M238 D241	L196-R202 HydrophobicContact CD2-CG 4.36Å; L196-R202 PolarHBondContact O-NE 3.23Å; L196-R202 PolarHBondContact O-NH2 3.42Å; R197-R202 PolarHBondContact O-NH2 3.31Å; R199-R202 WeakPolarHBondContact O-CB 3.22Å; R199-R202 PolarHBondContact O-N 3.22Å; R202-Q204 VanDerWaalsContact C-N 3.3Å; R202-Q204 PolarHBondContact O-N 2.97Å; R202-F205 PolarHBondContact O-N 2.88Å; R202-A206 PolarHBondContact O-N 3.23Å; R202-C237 WeakPolarHBondContact CD-O 3.43Å; R202-C237 VanDerWaalsContact CZ-O 3.29Å; R202-C237 PolarHBondContact NE-O 2.99Å; R202-C237 PolarHBondContact NH1-O 3.34Å; R202-M238 HydrophobicContact CB-CE 4.09Å; R202-M238 HydrophobicContact CB-SD 3.67Å; R202-M238 HydrophobicContact CG-SD 3.85Å; R202-M238 WeakPolarHBondContact O-CE 3.5Å; R202-D241 WeakPolarHBondContact CD-OD2 3.33Å; R202-D241 IonicContact NH1-OD2 3.31Å; R202-D241 PolarHBondContact NH1-OD2 3.41Å; R202-D241 VanDerWaalsContact NH1-OD2 3.16Å
203	T	96.2	Very high	96.4	Very high	61 Å²	61	36.2 Å²	36.2	37%	0.374	17%	0.174	S	C	.	.	H	α-helix	trans	-59.3	-42.7	179.4	-59.9	0	0	0	0	111.6	Y201 K207	Y201-T203 VanDerWaalsContact C-N 3.34Å; Y201-T203 PolarHBondContact O-N 3.28Å; T203-K207 WeakPolarHBondContact O-CG 3.27Å; T203-K207 PolarHBondContact O-N 3.08Å; T203-K207 VanDerWaalsContact O-N 3.15Å
204	Q	97.5	Very high	96.5	Very high	23 Å²	23	36.1 Å²	36.1	11%	0.107	17%	0.174	C	C	.	.	H	α-helix	trans	-72.2	-37.3	177.9	-62.7	-60.7	-16	0	0	111.8	E163 L166 L170 Y201 R202 A206 K207 V208	E163-Q204 PolarHBondContact OE1-NE2 2.91Å; L166-Q204 HydrophobicContact CD2-CB 4.07Å; L166-Q204 HydrophobicContact CD2-CG 3.9Å; L166-Q204 HydrophobicContact CG-CB 4.47Å; L170-Q204 HydrophobicContact CD1-CB 3.91Å; Y201-Q204 PolarHBondContact O-N 3.4Å; R202-Q204 VanDerWaalsContact C-N 3.3Å; R202-Q204 PolarHBondContact O-N 2.97Å; Q204-A206 VanDerWaalsContact C-N 3.35Å; Q204-A206 PolarHBondContact O-N 2.87Å; Q204-K207 PolarHBondContact O-N 3.39Å; Q204-V208 PolarHBondContact O-N 2.94Å; Q204-V208 VanDerWaalsContact O-N 3.09Å
205	F	98.3	Very high	96.5	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-61.6	-40.9	175.2	-174.9	-111.2	0	0	0	112.6	L170 L192 L196 Y201 R202 V208 G210 I214 M238	L170-F205 HydrophobicContact CB-CD2 4.49Å; L170-F205 HydrophobicContact CD1-CB 4.08Å; L170-F205 HydrophobicContact CD2-CD2 4.15Å; L192-F205 HydrophobicContact CD1-CD2 3.81Å; L192-F205 HydrophobicContact CD1-CE1 4.49Å; L192-F205 HydrophobicContact CD1-CE2 3.54Å; L192-F205 HydrophobicContact CD1-CG 4.39Å; L192-F205 HydrophobicContact CD1-CZ 3.92Å; L192-F205 HydrophobicContact CD2-CE1 4.37Å; L192-F205 HydrophobicContact CD2-CE2 3.95Å; L192-F205 HydrophobicContact CD2-CZ 3.62Å; L192-F205 HydrophobicContact CG-CE2 4.4Å; L192-F205 HydrophobicContact CG-CZ 4.36Å; L196-F205 HydrophobicContact CD1-CD1 3.99Å; L196-F205 HydrophobicContact CD1-CE1 4.03Å; L196-F205 HydrophobicContact CD2-CB 3.66Å; L196-F205 HydrophobicContact CD2-CD1 3.74Å; L196-F205 HydrophobicContact CD2-CG 3.71Å; L196-F205 HydrophobicContact CG-CD1 4.49Å; Y201-F205 PolarHBondContact O-N 2.91Å; R202-F205 PolarHBondContact O-N 2.88Å; F205-V208 HydrophobicContact CD2-CG2 4.39Å; F205-V208 WeakPolarHBondContact O-CG2 3.28Å; F205-V208 PolarHBondContact O-N 2.94Å; F205-G210 VanDerWaalsContact CE1-C 3.44Å; F205-G210 WeakPolarHBondContact CZ-O 3.46Å; F205-G210 WeakPolarHBondContact O-CA 3.3Å; F205-G210 PolarHBondContact O-N 2.62Å; F205-I214 HydrophobicContact CE1-CD1 3.67Å; F205-I214 HydrophobicContact CE1-CG1 4.45Å; F205-I214 HydrophobicContact CZ-CD1 3.87Å; F205-I214 HydrophobicContact CZ-CG1 4.25Å; F205-M238 HydrophobicContact CD1-CE 4.25Å; F205-M238 HydrophobicContact CD1-SD 3.98Å
206	A	97.3	Very high	96.4	Very high	20 Å²	20	39.1 Å²	39.1	17%	0.165	19%	0.191	C	C	.	.	H	α-helix	trans	-63.8	-45.1	173.4	0	0	0	0	0	112	R202 Q204 V208 G209 I211 M238 H244	R202-A206 PolarHBondContact O-N 3.23Å; Q204-A206 VanDerWaalsContact C-N 3.35Å; Q204-A206 PolarHBondContact O-N 2.87Å; A206-V208 PolarHBondContact O-N 3.11Å; A206-G209 PolarHBondContact O-N 3.37Å; A206-I211 HydrophobicContact CB-CD1 4.18Å; A206-M238 HydrophobicContact CB-CE 3.85Å; A206-H244 WeakPolarHBondContact CB-CE1 3.23Å
207	K	96.3	Very high	96.4	Very high	138 Å²	138	39.7 Å²	39.7	60%	0.6	19%	0.194	S	C	*	.	H	α-helix	trans	-60.2	-32.3	178.9	-75.5	172.9	-179.8	176.8	0	113.3	T203 Q204 G209	T203-K207 WeakPolarHBondContact O-CG 3.27Å; T203-K207 PolarHBondContact O-N 3.08Å; T203-K207 VanDerWaalsContact O-N 3.15Å; Q204-K207 PolarHBondContact O-N 3.39Å; K207-G209 PolarHBondContact O-N 3.21Å
208	V	96.3	Very high	96.5	Very high	17 Å²	17	37.7 Å²	37.7	10%	0.103	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	15.6	175.2	-57.2	0	0	0	0	113	I167 L170 N171 R174 Q204 F205 A206 G210	I167-V208 HydrophobicContact CG2-CG1 4.13Å; L170-V208 HydrophobicContact CB-CG2 4.27Å; N171-V208 WeakPolarHBondContact OD1-CB 3.39Å; R174-V208 VanDerWaalsContact CD-O 3.27Å; R174-V208 WeakPolarHBondContact CD-O 3.25Å; R174-V208 PolarHBondContact NH1-O 3.38Å; Q204-V208 PolarHBondContact O-N 2.94Å; Q204-V208 VanDerWaalsContact O-N 3.09Å; F205-V208 HydrophobicContact CD2-CG2 4.39Å; F205-V208 WeakPolarHBondContact O-CG2 3.28Å; F205-V208 PolarHBondContact O-N 2.94Å; A206-V208 PolarHBondContact O-N 3.11Å; V208-G210 VanDerWaalsContact C-N 3.3Å; V208-G210 PolarHBondContact O-N 3.42Å
209	G	96.6	Very high	96.5	Very high	21 Å²	21	41 Å²	41	22%	0.216	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	28.7	177.8	0	0	0	0	0	113.7	A206 K207 E212 T213	A206-G209 PolarHBondContact O-N 3.37Å; K207-G209 PolarHBondContact O-N 3.21Å; G209-E212 WeakPolarHBondContact CA-OE2 3.42Å; G209-T213 PolarHBondContact O-N 2.76Å; G209-T213 PolarHBondContact O-OG1 2.93Å
210	G	97.8	Very high	96.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-70.3	-30.6	-176.3	0	0	0	0	0	113.7	F205 V208 I214	F205-G210 VanDerWaalsContact CE1-C 3.44Å; F205-G210 WeakPolarHBondContact CZ-O 3.46Å; F205-G210 WeakPolarHBondContact O-CA 3.3Å; F205-G210 PolarHBondContact O-N 2.62Å; V208-G210 VanDerWaalsContact C-N 3.3Å; V208-G210 PolarHBondContact O-N 3.42Å; G210-I214 WeakPolarHBondContact O-CG1 3.43Å; G210-I214 PolarHBondContact O-N 3.42Å; G210-I214 VanDerWaalsContact O-N 3.07Å
211	I	97.3	Very high	96	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-68.5	-44.6	179.3	-63.6	174.5	0	0	0	109.9	A206 I214 G215 L235 M238 H244 I248 L254	A206-I211 HydrophobicContact CB-CD1 4.18Å; I211-I214 PolarHBondContact O-N 3.46Å; I211-G215 PolarHBondContact O-N 3.16Å; I211-L235 HydrophobicContact CG2-CD2 4.34Å; I211-M238 HydrophobicContact CD1-CE 3.87Å; I211-M238 HydrophobicContact CG1-CE 4Å; I211-H244 HydrophobicContact CD1-CB 4.22Å; I211-I248 HydrophobicContact CD1-CG1 4.26Å; I211-I248 HydrophobicContact CG2-CG1 3.67Å; I211-L254 HydrophobicContact CG2-CD2 3.8Å
212	E	96.5	Very high	95.6	Very high	89 Å²	89	50.6 Å²	50.6	42%	0.416	25%	0.253	S	S	.	.	H	α-helix	trans	-61.4	-47	177	-62.1	81	176.5	0	0	110.1	G209 I214 G215 D216	G209-E212 WeakPolarHBondContact CA-OE2 3.42Å; E212-I214 VanDerWaalsContact C-N 3.3Å; E212-I214 PolarHBondContact O-N 3.14Å; E212-G215 CarbonylContact O-C 3.24Å; E212-G215 WeakPolarHBondContact O-CA 3.4Å; E212-G215 PolarHBondContact O-N 3.22Å; E212-D216 PolarHBondContact O-N 3.07Å
213	T	97.4	Very high	95.3	Very high	14 Å²	14	51 Å²	51	9%	0.086	26%	0.257	C	S	.	.	H	α-helix	trans	-58.6	-42.1	177.1	-58.6	0	0	0	0	112.1	R174 L177 T178 G209 G215 D216 V217	R174-T213 VanDerWaalsContact CD-OG1 3.28Å; R174-T213 WeakPolarHBondContact CD-OG1 3.38Å; R174-T213 HydrophobicContact CG-CG2 3.58Å; R174-T213 WeakPolarHBondContact CG-OG1 2.91Å; L177-T213 HydrophobicContact CB-CG2 4.49Å; T178-T213 HydrophobicContact CG2-CG2 3.61Å; G209-T213 PolarHBondContact O-N 2.76Å; G209-T213 PolarHBondContact O-OG1 2.93Å; T213-G215 VanDerWaalsContact C-N 3.31Å; T213-G215 PolarHBondContact O-N 3.15Å; T213-D216 PolarHBondContact O-N 3.42Å; T213-V217 HydrophobicContact CG2-CG2 4.44Å; T213-V217 VanDerWaalsContact O-CG2 3.31Å; T213-V217 WeakPolarHBondContact O-CG2 3.43Å; T213-V217 PolarHBondContact O-N 3.16Å
214	I	97.7	Very high	95.1	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.5	-43.5	175	-70.5	172	0	0	0	110.5	L192 F205 G210 I211 E212 D216 V217 L218 L231 C234 L235	L192-I214 HydrophobicContact CD2-CD1 4.33Å; F205-I214 HydrophobicContact CE1-CD1 3.67Å; F205-I214 HydrophobicContact CE1-CG1 4.45Å; F205-I214 HydrophobicContact CZ-CD1 3.87Å; F205-I214 HydrophobicContact CZ-CG1 4.25Å; G210-I214 WeakPolarHBondContact O-CG1 3.43Å; G210-I214 PolarHBondContact O-N 3.42Å; G210-I214 VanDerWaalsContact O-N 3.07Å; I211-I214 PolarHBondContact O-N 3.46Å; E212-I214 VanDerWaalsContact C-N 3.3Å; E212-I214 PolarHBondContact O-N 3.14Å; I214-D216 VanDerWaalsContact C-N 3.34Å; I214-D216 PolarHBondContact O-N 3.2Å; I214-V217 PolarHBondContact O-N 3.48Å; I214-L218 HydrophobicContact CG2-CD1 3.7Å; I214-L218 HydrophobicContact CG2-CG 4.14Å; I214-L218 WeakPolarHBondContact O-CB 3.48Å; I214-L218 VanDerWaalsContact O-CG 3.31Å; I214-L218 WeakPolarHBondContact O-CG 3.31Å; I214-L218 PolarHBondContact O-N 3.22Å; I214-L231 HydrophobicContact CG1-CD2 4.32Å; I214-L231 HydrophobicContact CG2-CB 3.96Å; I214-C234 HydrophobicContact CD1-CB 3.71Å; I214-L235 HydrophobicContact CB-CD2 4.27Å; I214-L235 HydrophobicContact CD1-CD2 4.25Å; I214-L235 HydrophobicContact CG2-CD1 3.87Å; I214-L235 HydrophobicContact CG2-CD2 3.85Å; I214-L235 HydrophobicContact CG2-CG 3.76Å
215	G	96.1	Very high	94.9	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.2	-41.8	177.2	0	0	0	0	0	113.2	I211 E212 T213 Q219	I211-G215 PolarHBondContact O-N 3.16Å; E212-G215 CarbonylContact O-C 3.24Å; E212-G215 WeakPolarHBondContact O-CA 3.4Å; E212-G215 PolarHBondContact O-N 3.22Å; T213-G215 VanDerWaalsContact C-N 3.31Å; T213-G215 PolarHBondContact O-N 3.15Å; G215-Q219 VanDerWaalsContact O-CG 3.3Å; G215-Q219 WeakPolarHBondContact O-CG 3.39Å; G215-Q219 PolarHBondContact O-N 3.39Å; G215-Q219 PolarHBondContact O-NE2 3.34Å
216	D	95.2	Very high	94.6	Very high	92 Å²	92	54.5 Å²	54.5	49%	0.492	27%	0.27	S	S	.	.	H	α-helix	trans	-65.3	-46.5	178	-64	-21.6	0	0	0	110.9	E212 T213 I214 L218 Q219 E220	E212-D216 PolarHBondContact O-N 3.07Å; T213-D216 PolarHBondContact O-N 3.42Å; I214-D216 VanDerWaalsContact C-N 3.34Å; I214-D216 PolarHBondContact O-N 3.2Å; D216-L218 PolarHBondContact O-N 3.35Å; D216-Q219 PolarHBondContact O-N 2.86Å; D216-E220 PolarHBondContact O-N 3.08Å
217	V	96.4	Very high	94.5	Very high	12 Å²	12	53.9 Å²	53.9	7%	0.073	26%	0.264	C	S	.	.	H	α-helix	trans	-67.1	-36.5	179.3	177.2	0	0	0	0	111.9	L177 T213 I214 Q219 E220 T223 L227 L231	L177-V217 HydrophobicContact CB-CG2 4.27Å; L177-V217 WeakPolarHBondContact O-CG2 3.39Å; T213-V217 HydrophobicContact CG2-CG2 4.44Å; T213-V217 VanDerWaalsContact O-CG2 3.31Å; T213-V217 WeakPolarHBondContact O-CG2 3.43Å; T213-V217 PolarHBondContact O-N 3.16Å; I214-V217 PolarHBondContact O-N 3.48Å; V217-Q219 VanDerWaalsContact C-N 3.28Å; V217-Q219 PolarHBondContact O-N 3.39Å; V217-E220 WeakPolarHBondContact O-CB 3.48Å; V217-E220 PolarHBondContact O-N 3.14Å; V217-T223 PolarHBondContact O-OG1 3.34Å; V217-L227 HydrophobicContact CG1-CD2 4.24Å; V217-L231 HydrophobicContact CB-CD1 4.09Å; V217-L231 HydrophobicContact CG1-CD1 3.63Å
218	L	96.8	Very high	94.5	Very high	6 Å²	6	48.3 Å²	48.3	3%	0.031	24%	0.24	C	C	.	.	H	α-helix	trans	-67.6	-27.9	176.5	-77.1	176.4	0	0	0	113	I214 D216 E220 Q228 L231 I232 L235 L254 T257 V258 I261	I214-L218 HydrophobicContact CG2-CD1 3.7Å; I214-L218 HydrophobicContact CG2-CG 4.14Å; I214-L218 WeakPolarHBondContact O-CB 3.48Å; I214-L218 VanDerWaalsContact O-CG 3.31Å; I214-L218 WeakPolarHBondContact O-CG 3.31Å; I214-L218 PolarHBondContact O-N 3.22Å; D216-L218 PolarHBondContact O-N 3.35Å; L218-E220 VanDerWaalsContact C-N 3.28Å; L218-Q228 HydrophobicContact CD2-CB 4.33Å; L218-Q228 HydrophobicContact CD2-CG 4.26Å; L218-L231 HydrophobicContact CD1-CB 4.3Å; L218-L231 HydrophobicContact CD2-CB 3.81Å; L218-L231 HydrophobicContact CD2-CD1 3.97Å; L218-L231 HydrophobicContact CD2-CG 4.5Å; L218-L231 HydrophobicContact CG-CB 4.07Å; L218-L231 HydrophobicContact CG-CD1 4.06Å; L218-I232 HydrophobicContact CD1-CG1 4.33Å; L218-L235 HydrophobicContact CD1-CD1 3.83Å; L218-L254 HydrophobicContact CD1-CD1 4.21Å; L218-T257 HydrophobicContact CB-CG2 3.85Å; L218-T257 WeakPolarHBondContact O-CG2 3.32Å; L218-V258 HydrophobicContact CD1-CG2 4.18Å; L218-I261 HydrophobicContact CB-CD1 4.42Å; L218-I261 HydrophobicContact CD2-CD1 3.8Å
219	Q	93.7	Very high	94.5	Very high	93 Å²	93	48 Å²	48	44%	0.435	24%	0.237	S	C	.	.	H	α-helix	trans	-74.4	-18.3	176.6	-76.5	169.8	66.7	0	0	112.9	G215 D216 V217 K221 T257	G215-Q219 VanDerWaalsContact O-CG 3.3Å; G215-Q219 WeakPolarHBondContact O-CG 3.39Å; G215-Q219 PolarHBondContact O-N 3.39Å; G215-Q219 PolarHBondContact O-NE2 3.34Å; D216-Q219 PolarHBondContact O-N 2.86Å; V217-Q219 VanDerWaalsContact C-N 3.28Å; V217-Q219 PolarHBondContact O-N 3.39Å; Q219-K221 PolarHBondContact O-N 2.88Å; Q219-T257 HydrophobicContact CG-CG2 4.06Å; Q219-T257 VanDerWaalsContact CG-OG1 3.27Å; Q219-T257 WeakPolarHBondContact CG-OG1 3.09Å
220	E	92.5	Very high	94.5	Very high	121 Å²	121	47.4 Å²	47.4	57%	0.565	23%	0.228	S	C	*	.			trans	-67.6	123.5	177.2	-68.7	-64.7	163	0	0	111.5	D216 V217 L218 L222 T223	D216-E220 PolarHBondContact O-N 3.08Å; V217-E220 WeakPolarHBondContact O-CB 3.48Å; V217-E220 PolarHBondContact O-N 3.14Å; L218-E220 VanDerWaalsContact C-N 3.28Å; E220-L222 PolarHBondContact O-N 2.97Å; E220-L222 VanDerWaalsContact O-N 3.09Å; E220-T223 VanDerWaalsContact O-CB 3.28Å; E220-T223 WeakPolarHBondContact O-CB 3.47Å; E220-T223 PolarHBondContact O-N 3.03Å; E220-T223 PolarHBondContact O-OG1 3.19Å; E220-T223 VanDerWaalsContact O-OG1 3.12Å
221	K	85	Confident	94.5	Very high	210 Å²	210	47.4 Å²	47.4	91%	0.913	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.5	-177.5	-66.1	-174.9	179.2	-178.7	0	114.1	Q219 T223	Q219-K221 PolarHBondContact O-N 2.88Å; K221-T223 VanDerWaalsContact C-N 3.33Å
222	L	88.6	Confident	94.5	Very high	131 Å²	131	47.2 Å²	47.2	69%	0.686	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-5.2	-179.2	-63.9	175.3	0	0	0	113	E220 S224	E220-L222 PolarHBondContact O-N 2.97Å; E220-L222 VanDerWaalsContact O-N 3.09Å; L222-S224 PolarHBondContact O-N 3.18Å
223	T	91.7	Very high	94.6	Very high	17 Å²	17	43 Å²	43	10%	0.104	21%	0.208	C	C	.	.			trans	-63.5	117.8	-177.9	-65.8	0	0	0	0	110.5	V217 E220 K221 L227 Q228	V217-T223 PolarHBondContact O-OG1 3.34Å; E220-T223 VanDerWaalsContact O-CB 3.28Å; E220-T223 WeakPolarHBondContact O-CB 3.47Å; E220-T223 PolarHBondContact O-N 3.03Å; E220-T223 PolarHBondContact O-OG1 3.19Å; E220-T223 VanDerWaalsContact O-OG1 3.12Å; K221-T223 VanDerWaalsContact C-N 3.33Å; T223-L227 HydrophobicContact CG2-CB 4.07Å; T223-L227 HydrophobicContact CG2-CD2 3.86Å; T223-L227 HydrophobicContact CG2-CG 3.92Å; T223-Q228 HydrophobicContact CG2-CG 3.73Å
224	S	92.5	Very high	94.6	Very high	40 Å²	40	42.3 Å²	42.3	28%	0.28	20%	0.204	S	C	.	.			trans	-63.4	150.5	-177	73.3	0	0	0	0	112.2	L222 Q226 L227 Q228	L222-S224 PolarHBondContact O-N 3.18Å; S224-Q226 PolarHBondContact O-N 2.7Å; S224-Q226 VanDerWaalsContact O-N 3.16Å; S224-L227 WeakPolarHBondContact O-CA 3.4Å; S224-L227 PolarHBondContact O-N 3.42Å; S224-L227 WeakPolarHBondContact OG-CB 3.38Å; S224-L227 PolarHBondContact OG-N 3.48Å; S224-Q228 WeakPolarHBondContact O-CG 3.48Å; S224-Q228 PolarHBondContact O-N 2.99Å
225	R	93.2	Very high	94.6	Very high	89 Å²	89	42.3 Å²	42.3	34%	0.336	20%	0.204	S	C	.	.	H	α-helix	trans	-55.2	-34.7	176.8	-63.2	-55.9	-170.8	138.2	-0.6	113.1	Y229 E264 I270	R225-Y229 PolarHBondContact O-N 2.88Å; R225-Y229 VanDerWaalsContact O-N 3.14Å; R225-E264 PolarHBondContact NH1-O 3.21Å; R225-E264 PolarHBondContact NH2-O 3.07Å; R225-I270 HydrophobicContact CB-CD1 4.01Å
226	Q	92.6	Very high	94.7	Very high	30 Å²	30	42.4 Å²	42.4	14%	0.14	20%	0.204	C	C	.	.	H	α-helix	trans	-68	-43.6	175.4	179.4	57.9	27.9	0	0	111.4	Q186 S224 Y229 Q230	Q186-Q226 HydrophobicContact CG-CG 4.17Å; S224-Q226 PolarHBondContact O-N 2.7Å; S224-Q226 VanDerWaalsContact O-N 3.16Å; Q226-Y229 WeakPolarHBondContact O-CB 3.23Å; Q226-Y229 PolarHBondContact O-N 3.46Å; Q226-Q230 VanDerWaalsContact O-CG 3.31Å; Q226-Q230 WeakPolarHBondContact O-CG 3.49Å; Q226-Q230 PolarHBondContact O-N 3.28Å
227	L	94.7	Very high	94.8	Very high	8 Å²	8	38 Å²	38	4%	0.042	18%	0.18	C	C	.	.	H	α-helix	trans	-65.6	-42.4	176.6	-176.8	59.5	0	0	0	111.3	D185 A189 V217 T223 S224 Y229 Q230 L231	D185-L227 HydrophobicContact CB-CD2 4.17Å; A189-L227 HydrophobicContact CB-CD1 3.52Å; V217-L227 HydrophobicContact CG1-CD2 4.24Å; T223-L227 HydrophobicContact CG2-CB 4.07Å; T223-L227 HydrophobicContact CG2-CD2 3.86Å; T223-L227 HydrophobicContact CG2-CG 3.92Å; S224-L227 WeakPolarHBondContact O-CA 3.4Å; S224-L227 PolarHBondContact O-N 3.42Å; S224-L227 WeakPolarHBondContact OG-CB 3.38Å; S224-L227 PolarHBondContact OG-N 3.48Å; L227-Y229 VanDerWaalsContact C-N 3.35Å; L227-Y229 PolarHBondContact O-N 3.4Å; L227-Q230 PolarHBondContact O-N 3.24Å; L227-Q230 VanDerWaalsContact O-N 3.08Å; L227-L231 HydrophobicContact CD1-CD1 4.05Å; L227-L231 HydrophobicContact CD1-CD2 4.23Å; L227-L231 HydrophobicContact CD1-CG 3.88Å; L227-L231 HydrophobicContact CG-CD1 3.91Å; L227-L231 HydrophobicContact CG-CG 4.14Å; L227-L231 WeakPolarHBondContact O-CB 3.27Å; L227-L231 WeakPolarHBondContact O-CG 3.23Å; L227-L231 PolarHBondContact O-N 3.2Å
228	Q	96.1	Very high	94.8	Very high	21 Å²	21	37.4 Å²	37.4	10%	0.098	18%	0.177	C	C	.	.	H	α-helix	trans	-52.7	-51.6	173.4	-70.9	176.7	-17.6	0	0	111.5	L218 T223 S224 Q230 L231 I232 I261	L218-Q228 HydrophobicContact CD2-CB 4.33Å; L218-Q228 HydrophobicContact CD2-CG 4.26Å; T223-Q228 HydrophobicContact CG2-CG 3.73Å; S224-Q228 WeakPolarHBondContact O-CG 3.48Å; S224-Q228 PolarHBondContact O-N 2.99Å; Q228-Q230 VanDerWaalsContact C-N 3.34Å; Q228-Q230 PolarHBondContact O-N 3.47Å; Q228-L231 PolarHBondContact O-N 2.94Å; Q228-I232 WeakPolarHBondContact O-CB 3.47Å; Q228-I232 VanDerWaalsContact O-CG1 3.23Å; Q228-I232 WeakPolarHBondContact O-CG1 3.31Å; Q228-I232 PolarHBondContact O-N 3.01Å; Q228-I261 HydrophobicContact CB-CD1 4.34Å; Q228-I261 HydrophobicContact CB-CG2 4.2Å; Q228-I261 HydrophobicContact CG-CD1 4Å; Q228-I261 HydrophobicContact CG-CG1 4.47Å
229	Y	95.9	Very high	94.8	Very high	10 Å²	10	37.1 Å²	37.1	4%	0.039	18%	0.175	C	C	.	.	H	α-helix	trans	-54.3	-48.6	174.5	165	-99.1	0	0	0	112.1	T15 R225 Q226 L227 L231 I232 F233 K269 I273	T15-Y229 HydrophobicContact CG2-CE2 4.45Å; T15-Y229 WeakPolarHBondContact CG2-OH 3.48Å; R225-Y229 PolarHBondContact O-N 2.88Å; R225-Y229 VanDerWaalsContact O-N 3.14Å; Q226-Y229 WeakPolarHBondContact O-CB 3.23Å; Q226-Y229 PolarHBondContact O-N 3.46Å; L227-Y229 VanDerWaalsContact C-N 3.35Å; L227-Y229 PolarHBondContact O-N 3.4Å; Y229-L231 VanDerWaalsContact C-N 3.35Å; Y229-L231 PolarHBondContact O-N 3.39Å; Y229-I232 PolarHBondContact O-N 3.38Å; Y229-F233 WeakPolarHBondContact O-CB 3.45Å; Y229-F233 PolarHBondContact O-N 2.96Å; Y229-K269 HydrophobicContact CD2-CB 4.28Å; Y229-K269 HydrophobicContact CD2-CD 4.38Å; Y229-K269 HydrophobicContact CD2-CG 4.13Å; Y229-K269 WeakPolarHBondContact CD2-O 3.4Å; Y229-K269 HydrophobicContact CE2-CB 4.28Å; Y229-K269 HydrophobicContact CG-CD 4.4Å; Y229-I273 HydrophobicContact CD2-CB 4.17Å; Y229-I273 HydrophobicContact CD2-CG2 3.64Å; Y229-I273 HydrophobicContact CE2-CB 4.01Å; Y229-I273 HydrophobicContact CE2-CG1 4.39Å; Y229-I273 HydrophobicContact CE2-CG2 4.01Å
230	Q	96.2	Very high	94.9	Very high	8 Å²	8	33 Å²	33	4%	0.037	16%	0.156	C	C	.	.	H	α-helix	trans	-66.1	-37.9	-176.1	-68.7	174	-59.2	0	0	112.5	Q186 A189 Q193 Q226 L227 Q228 F233 C234	Q186-Q230 PolarHBondContact O-NE2 3.17Å; A189-Q230 HydrophobicContact CB-CB 3.77Å; A189-Q230 HydrophobicContact CB-CG 4.47Å; Q193-Q230 HydrophobicContact CG-CB 4.4Å; Q226-Q230 VanDerWaalsContact O-CG 3.31Å; Q226-Q230 WeakPolarHBondContact O-CG 3.49Å; Q226-Q230 PolarHBondContact O-N 3.28Å; L227-Q230 PolarHBondContact O-N 3.24Å; L227-Q230 VanDerWaalsContact O-N 3.08Å; Q228-Q230 VanDerWaalsContact C-N 3.34Å; Q228-Q230 PolarHBondContact O-N 3.47Å; Q230-F233 WeakPolarHBondContact O-CB 3.32Å; Q230-F233 PolarHBondContact O-N 3.19Å; Q230-C234 PolarHBondContact O-N 3.16Å; Q230-C234 VanDerWaalsContact O-N 3.1Å; Q230-C234 PolarHBondContact O-SG 2.96Å
231	L	98	Very high	95.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-74.8	-38.1	178.8	-66.9	-175.1	0	0	0	112.1	L177 A189 I214 V217 L218 L227 Q228 Y229 F233 C234 L235	L177-L231 HydrophobicContact CD1-CD2 4.15Å; L177-L231 HydrophobicContact CD2-CD2 4.19Å; A189-L231 HydrophobicContact CB-CD2 4.29Å; I214-L231 HydrophobicContact CG1-CD2 4.32Å; I214-L231 HydrophobicContact CG2-CB 3.96Å; V217-L231 HydrophobicContact CB-CD1 4.09Å; V217-L231 HydrophobicContact CG1-CD1 3.63Å; L218-L231 HydrophobicContact CD1-CB 4.3Å; L218-L231 HydrophobicContact CD2-CB 3.81Å; L218-L231 HydrophobicContact CD2-CD1 3.97Å; L218-L231 HydrophobicContact CD2-CG 4.5Å; L218-L231 HydrophobicContact CG-CB 4.07Å; L218-L231 HydrophobicContact CG-CD1 4.06Å; L227-L231 HydrophobicContact CD1-CD1 4.05Å; L227-L231 HydrophobicContact CD1-CD2 4.23Å; L227-L231 HydrophobicContact CD1-CG 3.88Å; L227-L231 HydrophobicContact CG-CD1 3.91Å; L227-L231 HydrophobicContact CG-CG 4.14Å; L227-L231 WeakPolarHBondContact O-CB 3.27Å; L227-L231 WeakPolarHBondContact O-CG 3.23Å; L227-L231 PolarHBondContact O-N 3.2Å; Q228-L231 PolarHBondContact O-N 2.94Å; Y229-L231 VanDerWaalsContact C-N 3.35Å; Y229-L231 PolarHBondContact O-N 3.39Å; L231-F233 VanDerWaalsContact C-N 3.29Å; L231-F233 PolarHBondContact O-N 3.33Å; L231-C234 VanDerWaalsContact O-CB 3.3Å; L231-C234 WeakPolarHBondContact O-CB 3.49Å; L231-C234 PolarHBondContact O-N 3.08Å; L231-C234 VanDerWaalsContact O-N 3.12Å; L231-L235 PolarHBondContact O-N 2.72Å
232	I	98.2	Very high	95.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.4	-37.6	171.9	-63.8	166.5	0	0	0	110.2	L218 Q228 Y229 C234 L235 W236 V258 I261 I273 F277	L218-I232 HydrophobicContact CD1-CG1 4.33Å; Q228-I232 WeakPolarHBondContact O-CB 3.47Å; Q228-I232 VanDerWaalsContact O-CG1 3.23Å; Q228-I232 WeakPolarHBondContact O-CG1 3.31Å; Q228-I232 PolarHBondContact O-N 3.01Å; Y229-I232 PolarHBondContact O-N 3.38Å; I232-C234 VanDerWaalsContact C-N 3.3Å; I232-C234 PolarHBondContact O-N 3.18Å; I232-L235 PolarHBondContact O-N 3.13Å; I232-W236 WeakPolarHBondContact O-CB 3.31Å; I232-W236 PolarHBondContact O-N 3.36Å; I232-V258 HydrophobicContact CD1-CG1 4.11Å; I232-V258 HydrophobicContact CG1-CG1 4.13Å; I232-V258 HydrophobicContact CG1-CG2 4.35Å; I232-V258 HydrophobicContact CG2-CG1 4.15Å; I232-I261 HydrophobicContact CD1-CB 4.23Å; I232-I261 HydrophobicContact CD1-CD1 4.25Å; I232-I261 HydrophobicContact CD1-CG2 3.66Å; I232-I273 HydrophobicContact CB-CG2 4.15Å; I232-I273 HydrophobicContact CG2-CB 4.49Å; I232-I273 HydrophobicContact CG2-CG1 4.11Å; I232-I273 HydrophobicContact CG2-CG2 3.86Å; I232-F277 HydrophobicContact CG2-CB 4.34Å
233	F	97.5	Very high	95.9	Very high	1 Å²	1	20.4 Å²	20.4	0%	0.004	11%	0.106	C	C	.	.	H	α-helix	trans	-59.1	-41.8	171.4	-179.2	-76.5	0	0	0	112.1	I11 Q193 Y229 Q230 L231 W236 C237 I273	I11-F233 HydrophobicContact CG2-CE2 4.36Å; Q193-F233 HydrophobicContact CB-CD1 3.9Å; Q193-F233 HydrophobicContact CB-CE1 4Å; Q193-F233 HydrophobicContact CG-CB 4.48Å; Q193-F233 HydrophobicContact CG-CD1 3.6Å; Q193-F233 HydrophobicContact CG-CE1 4.22Å; Q193-F233 HydrophobicContact CG-CG 4.26Å; Q193-F233 VanDerWaalsContact NE2-CB 3.28Å; Y229-F233 WeakPolarHBondContact O-CB 3.45Å; Y229-F233 PolarHBondContact O-N 2.96Å; Q230-F233 WeakPolarHBondContact O-CB 3.32Å; Q230-F233 PolarHBondContact O-N 3.19Å; L231-F233 VanDerWaalsContact C-N 3.29Å; L231-F233 PolarHBondContact O-N 3.33Å; F233-W236 HydrophobicContact CD2-CE3 4.08Å; F233-W236 HydrophobicContact CD2-CZ3 4.27Å; F233-W236 AromaticContact CE2-CE3 3.91Å; F233-W236 HydrophobicContact CE2-CE3 3.91Å; F233-W236 AromaticContact CE2-CZ3 3.65Å; F233-W236 HydrophobicContact CE2-CZ3 3.65Å; F233-W236 HydrophobicContact CG-CE3 4.49Å; F233-W236 HydrophobicContact CZ-CE3 4.17Å; F233-W236 AromaticContact CZ-CZ3 3.86Å; F233-W236 HydrophobicContact CZ-CZ3 3.86Å; F233-W236 WeakPolarHBondContact O-CB 3.37Å; F233-W236 PolarHBondContact O-N 3.05Å; F233-C237 WeakPolarHBondContact CE1-SG 3.3Å; F233-C237 PolarHBondContact O-N 3.46Å; F233-I273 HydrophobicContact CB-CD1 4.18Å; F233-I273 HydrophobicContact CB-CG1 4.02Å; F233-I273 HydrophobicContact CD2-CD1 3.82Å; F233-I273 HydrophobicContact CD2-CG1 4.46Å; F233-I273 HydrophobicContact CG-CD1 4.37Å
234	C	98	Very high	96.1	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60	-47.1	174.6	-69.6	0	0	0	0	111.1	L192 L196 I214 Q230 L231 I232 W236 C237 M238	L192-C234 HydrophobicContact CD2-CB 4.46Å; L196-C234 HydrophobicContact CD1-CB 3.58Å; I214-C234 HydrophobicContact CD1-CB 3.71Å; Q230-C234 PolarHBondContact O-N 3.16Å; Q230-C234 VanDerWaalsContact O-N 3.1Å; Q230-C234 PolarHBondContact O-SG 2.96Å; L231-C234 VanDerWaalsContact O-CB 3.3Å; L231-C234 WeakPolarHBondContact O-CB 3.49Å; L231-C234 PolarHBondContact O-N 3.08Å; L231-C234 VanDerWaalsContact O-N 3.12Å; I232-C234 VanDerWaalsContact C-N 3.3Å; I232-C234 PolarHBondContact O-N 3.18Å; C234-W236 VanDerWaalsContact C-N 3.29Å; C234-W236 PolarHBondContact O-N 3.16Å; C234-C237 WeakPolarHBondContact O-CB 3.34Å; C234-C237 PolarHBondContact O-N 3.47Å; C234-M238 WeakPolarHBondContact O-CG 3.46Å; C234-M238 PolarHBondContact O-N 2.97Å
235	L	98.4	Very high	96.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-61	-37.9	175.4	-65.1	172.6	0	0	0	112.5	I211 I214 L218 L231 I232 M238 S239 I248 L254 V258 F277	I211-L235 HydrophobicContact CG2-CD2 4.34Å; I214-L235 HydrophobicContact CB-CD2 4.27Å; I214-L235 HydrophobicContact CD1-CD2 4.25Å; I214-L235 HydrophobicContact CG2-CD1 3.87Å; I214-L235 HydrophobicContact CG2-CD2 3.85Å; I214-L235 HydrophobicContact CG2-CG 3.76Å; L218-L235 HydrophobicContact CD1-CD1 3.83Å; L231-L235 PolarHBondContact O-N 2.72Å; I232-L235 PolarHBondContact O-N 3.13Å; L235-M238 CarbonylContact O-C 3.48Å; L235-M238 WeakPolarHBondContact O-CB 3.49Å; L235-M238 PolarHBondContact O-N 2.79Å; L235-S239 WeakPolarHBondContact O-CB 3.32Å; L235-S239 PolarHBondContact O-N 3.19Å; L235-I248 HydrophobicContact CD2-CD1 4.46Å; L235-L254 HydrophobicContact CD1-CD1 3.67Å; L235-L254 HydrophobicContact CD1-CG 4.47Å; L235-L254 HydrophobicContact CD2-CD1 4.49Å; L235-L254 HydrophobicContact CD2-CD2 4.05Å; L235-V258 HydrophobicContact CD1-CG2 3.84Å; L235-F277 HydrophobicContact CB-CD2 4.11Å; L235-F277 HydrophobicContact CB-CE2 3.59Å; L235-F277 HydrophobicContact CB-CZ 3.89Å; L235-F277 HydrophobicContact CD1-CZ 4.26Å
236	W	97.9	Very high	96.4	Very high	1 Å²	1	15.2 Å²	15.2	0%	0.004	8%	0.082	C	C	.	.	H	α-helix	trans	-62.1	-45.3	173.8	174.4	69.1	0	0	0	112.1	R7 V8 I11 I232 F233 C234 M238 S239 F240 I273 F277	R7-W236 HydrophobicContact CB-CH2 4.35Å; R7-W236 HydrophobicContact CB-CZ2 4Å; V8-W236 HydrophobicContact CB-CH2 4.1Å; V8-W236 HydrophobicContact CB-CZ3 4.38Å; V8-W236 HydrophobicContact CG2-CH2 3.4Å; V8-W236 VanDerWaalsContact CG2-CH2 3.4Å; V8-W236 HydrophobicContact CG2-CZ2 4.45Å; V8-W236 HydrophobicContact CG2-CZ3 3.6Å; I11-W236 HydrophobicContact CD1-CH2 3.49Å; I11-W236 VanDerWaalsContact CD1-CH2 3.49Å; I11-W236 HydrophobicContact CD1-CZ2 3.51Å; I11-W236 HydrophobicContact CD1-CZ3 4.07Å; I232-W236 WeakPolarHBondContact O-CB 3.31Å; I232-W236 PolarHBondContact O-N 3.36Å; F233-W236 HydrophobicContact CD2-CE3 4.08Å; F233-W236 HydrophobicContact CD2-CZ3 4.27Å; F233-W236 AromaticContact CE2-CE3 3.91Å; F233-W236 HydrophobicContact CE2-CE3 3.91Å; F233-W236 AromaticContact CE2-CZ3 3.65Å; F233-W236 HydrophobicContact CE2-CZ3 3.65Å; F233-W236 HydrophobicContact CG-CE3 4.49Å; F233-W236 HydrophobicContact CZ-CE3 4.17Å; F233-W236 AromaticContact CZ-CZ3 3.86Å; F233-W236 HydrophobicContact CZ-CZ3 3.86Å; F233-W236 WeakPolarHBondContact O-CB 3.37Å; F233-W236 PolarHBondContact O-N 3.05Å; C234-W236 VanDerWaalsContact C-N 3.29Å; C234-W236 PolarHBondContact O-N 3.16Å; W236-M238 VanDerWaalsContact C-N 3.29Å; W236-M238 PolarHBondContact O-N 3.06Å; W236-S239 WeakPolarHBondContact O-CB 3.37Å; W236-S239 PolarHBondContact O-N 3.47Å; W236-S239 VanDerWaalsContact O-N 3.08Å; W236-S239 PolarHBondContact O-OG 2.87Å; W236-F240 HydrophobicContact CD2-CE1 4.45Å; W236-F240 HydrophobicContact CD2-CZ 4.03Å; W236-F240 AromaticContact CE2-CE1 3.78Å; W236-F240 AromaticContact CE2-CZ 3.48Å; W236-F240 VanDerWaalsContact CE2-CZ 3.48Å; W236-F240 HydrophobicContact CE3-CZ 4.36Å; W236-F240 HydrophobicContact CH2-CE2 4.38Å; W236-F240 AromaticContact CH2-CZ 3.74Å; W236-F240 HydrophobicContact CH2-CZ 3.74Å; W236-F240 AromaticContact CZ2-CE1 3.98Å; W236-F240 HydrophobicContact CZ2-CE1 3.98Å; W236-F240 HydrophobicContact CZ2-CE2 4.39Å; W236-F240 AromaticContact CZ2-CZ 3.37Å; W236-F240 HydrophobicContact CZ2-CZ 3.37Å; W236-F240 HydrophobicContact CZ3-CZ 4.23Å; W236-F240 AromaticContact NE1-CE1 3.71Å; W236-F240 AromaticContact NE1-CZ 3.93Å; W236-I273 HydrophobicContact CB-CD1 4.04Å; W236-I273 HydrophobicContact CD2-CD1 3.92Å; W236-I273 HydrophobicContact CE3-CD1 3.94Å; W236-I273 HydrophobicContact CG-CD1 3.99Å; W236-F277 HydrophobicContact CB-CB 4.21Å; W236-F277 HydrophobicContact CB-CD2 4.39Å
237	C	96.7	Very high	96.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59	-40.9	171.8	-74.7	0	0	0	0	112.3	L196 R202 F233 C234 S239 F240	L196-C237 HydrophobicContact CB-CB 3.97Å; R202-C237 WeakPolarHBondContact CD-O 3.43Å; R202-C237 VanDerWaalsContact CZ-O 3.29Å; R202-C237 PolarHBondContact NE-O 2.99Å; R202-C237 PolarHBondContact NH1-O 3.34Å; F233-C237 WeakPolarHBondContact CE1-SG 3.3Å; F233-C237 PolarHBondContact O-N 3.46Å; C234-C237 WeakPolarHBondContact O-CB 3.34Å; C234-C237 PolarHBondContact O-N 3.47Å; C237-S239 VanDerWaalsContact C-N 3.28Å; C237-S239 PolarHBondContact O-N 2.7Å; C237-F240 PolarHBondContact O-N 3.39Å
238	M	97.5	Very high	96.5	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-63.3	-35.7	175.3	-64.2	-56.2	-70.1	0	0	112	L196 R202 F205 A206 I211 C234 L235 W236 F240 D241 H244 I248	L196-M238 HydrophobicContact CD1-CG 4.36Å; L196-M238 HydrophobicContact CD1-SD 4.21Å; L196-M238 HydrophobicContact CD2-SD 3.92Å; R202-M238 HydrophobicContact CB-CE 4.09Å; R202-M238 HydrophobicContact CB-SD 3.67Å; R202-M238 HydrophobicContact CG-SD 3.85Å; R202-M238 WeakPolarHBondContact O-CE 3.5Å; F205-M238 HydrophobicContact CD1-CE 4.25Å; F205-M238 HydrophobicContact CD1-SD 3.98Å; A206-M238 HydrophobicContact CB-CE 3.85Å; I211-M238 HydrophobicContact CD1-CE 3.87Å; I211-M238 HydrophobicContact CG1-CE 4Å; C234-M238 WeakPolarHBondContact O-CG 3.46Å; C234-M238 PolarHBondContact O-N 2.97Å; L235-M238 CarbonylContact O-C 3.48Å; L235-M238 WeakPolarHBondContact O-CB 3.49Å; L235-M238 PolarHBondContact O-N 2.79Å; W236-M238 VanDerWaalsContact C-N 3.29Å; W236-M238 PolarHBondContact O-N 3.06Å; M238-F240 PolarHBondContact O-N 2.99Å; M238-D241 PolarHBondContact O-N 3.16Å; M238-H244 HydrophobicContact CB-CB 4.36Å; M238-H244 HydrophobicContact CE-CB 4.2Å; M238-H244 WeakPolarHBondContact O-CB 3.41Å; M238-I248 HydrophobicContact CB-CD1 4.18Å
239	S	96.9	Very high	96.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-8.6	-175.7	74.7	0	0	0	0	114.6	L235 W236 C237 D241 V245 S280 K284	L235-S239 WeakPolarHBondContact O-CB 3.32Å; L235-S239 PolarHBondContact O-N 3.19Å; W236-S239 WeakPolarHBondContact O-CB 3.37Å; W236-S239 PolarHBondContact O-N 3.47Å; W236-S239 VanDerWaalsContact O-N 3.08Å; W236-S239 PolarHBondContact O-OG 2.87Å; C237-S239 VanDerWaalsContact C-N 3.28Å; C237-S239 PolarHBondContact O-N 2.7Å; S239-D241 VanDerWaalsContact C-N 3.27Å; S239-D241 PolarHBondContact O-N 3.4Å; S239-V245 WeakPolarHBondContact O-CG2 3.18Å; S239-S280 PolarHBondContact O-OG 2.89Å; S239-S280 WeakPolarHBondContact OG-CB 3.4Å; S239-S280 PolarHBondContact OG-OG 3.24Å; S239-K284 WeakPolarHBondContact O-CG 3.24Å
240	F	95.8	Very high	96	Very high	6 Å²	6	22.3 Å²	22.3	3%	0.026	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-17.4	175.9	-65.1	-27.6	0	0	0	114	E4 V8 W236 C237 M238 K284	E4-F240 HydrophobicContact CB-CD2 4.21Å; E4-F240 HydrophobicContact CB-CE2 4.12Å; E4-F240 HydrophobicContact CB-CZ 4.41Å; E4-F240 HydrophobicContact CG-CD1 4.28Å; E4-F240 HydrophobicContact CG-CD2 4.22Å; E4-F240 HydrophobicContact CG-CE2 4.47Å; E4-F240 HydrophobicContact CG-CG 4.11Å; V8-F240 HydrophobicContact CG2-CE2 3.88Å; V8-F240 HydrophobicContact CG2-CZ 4.22Å; W236-F240 HydrophobicContact CD2-CE1 4.45Å; W236-F240 HydrophobicContact CD2-CZ 4.03Å; W236-F240 AromaticContact CE2-CE1 3.78Å; W236-F240 AromaticContact CE2-CZ 3.48Å; W236-F240 VanDerWaalsContact CE2-CZ 3.48Å; W236-F240 HydrophobicContact CE3-CZ 4.36Å; W236-F240 HydrophobicContact CH2-CE2 4.38Å; W236-F240 AromaticContact CH2-CZ 3.74Å; W236-F240 HydrophobicContact CH2-CZ 3.74Å; W236-F240 AromaticContact CZ2-CE1 3.98Å; W236-F240 HydrophobicContact CZ2-CE1 3.98Å; W236-F240 HydrophobicContact CZ2-CE2 4.39Å; W236-F240 AromaticContact CZ2-CZ 3.37Å; W236-F240 HydrophobicContact CZ2-CZ 3.37Å; W236-F240 HydrophobicContact CZ3-CZ 4.23Å; W236-F240 AromaticContact NE1-CE1 3.71Å; W236-F240 AromaticContact NE1-CZ 3.93Å; C237-F240 PolarHBondContact O-N 3.39Å; M238-F240 PolarHBondContact O-N 2.99Å; F240-K284 WeakPolarHBondContact O-CD 3.47Å; F240-K284 VanDerWaalsContact O-CE 3.25Å; F240-K284 WeakPolarHBondContact O-CE 3.36Å; F240-K284 PolarHBondContact O-NZ 3.42Å
241	D	94.8	Very high	95.7	Very high	23 Å²	23	24.1 Å²	24.1	12%	0.123	13%	0.126	C	C	.	.	S	Bend	trans	-108.3	124.2	176.5	-62.9	-82.8	0	0	0	109.8	R199 R202 M238 S239 I243 H244 V245	R199-D241 IonicContact CZ-OD1 2.67Å; R199-D241 IonicContact NE-OD1 2.64Å; R199-D241 PolarHBondContact NE-OD1 2.81Å; R199-D241 VanDerWaalsContact NE-OD1 3.17Å; R199-D241 IonicContact NH2-OD1 3.14Å; R202-D241 WeakPolarHBondContact CD-OD2 3.33Å; R202-D241 IonicContact NH1-OD2 3.31Å; R202-D241 PolarHBondContact NH1-OD2 3.41Å; R202-D241 VanDerWaalsContact NH1-OD2 3.16Å; M238-D241 PolarHBondContact O-N 3.16Å; S239-D241 VanDerWaalsContact C-N 3.27Å; S239-D241 PolarHBondContact O-N 3.4Å; D241-I243 PolarHBondContact O-N 3.27Å; D241-I243 VanDerWaalsContact O-N 3.16Å; D241-H244 PolarHBondContact O-N 2.88Å; D241-V245 PolarHBondContact O-N 3.39Å; D241-V245 VanDerWaalsContact O-N 3.12Å
242	S	95.5	Very high	95.2	Very high	56 Å²	56	25.9 Å²	25.9	39%	0.392	14%	0.138	S	C	.	.	H	α-helix	trans	-60.1	-30	-172.8	59.5	0	0	0	0	114.2	V245 T246 K284	S242-V245 PolarHBondContact O-N 2.6Å; S242-T246 PolarHBondContact O-N 2.84Å; S242-T246 PolarHBondContact O-OG1 3.21Å; S242-K284 VanDerWaalsContact CB-O 3.23Å; S242-K284 WeakPolarHBondContact CB-O 3.36Å
243	I	95.4	Very high	94.8	Very high	118 Å²	118	28 Å²	28	61%	0.605	16%	0.156	S	C	*	.	H	α-helix	trans	-59.5	-50.7	174.1	-61.7	170.7	0	0	0	109.6	D241 V245 T246 D247	D241-I243 PolarHBondContact O-N 3.27Å; D241-I243 VanDerWaalsContact O-N 3.16Å; I243-V245 PolarHBondContact O-N 3.46Å; I243-T246 WeakPolarHBondContact O-CB 3.45Å; I243-T246 PolarHBondContact O-N 2.93Å; I243-D247 PolarHBondContact O-N 3.19Å; I243-D247 VanDerWaalsContact O-N 3.17Å
244	H	96.1	Very high	94.7	Very high	10 Å²	10	28 Å²	28	5%	0.046	16%	0.156	C	C	.	.	H	α-helix	trans	-69.4	-35.3	-178.1	-58.8	-32.9	0	0	0	112	A206 I211 M238 D241 T246 D247 I248	A206-H244 WeakPolarHBondContact CB-CE1 3.23Å; I211-H244 HydrophobicContact CD1-CB 4.22Å; M238-H244 HydrophobicContact CB-CB 4.36Å; M238-H244 HydrophobicContact CE-CB 4.2Å; M238-H244 WeakPolarHBondContact O-CB 3.41Å; D241-H244 PolarHBondContact O-N 2.88Å; H244-T246 VanDerWaalsContact C-N 3.28Å; H244-T246 PolarHBondContact O-N 3.46Å; H244-D247 PolarHBondContact O-N 3.47Å; H244-I248 WeakPolarHBondContact O-CB 3.45Å; H244-I248 VanDerWaalsContact O-CG1 3.24Å; H244-I248 WeakPolarHBondContact O-CG1 3.46Å; H244-I248 PolarHBondContact O-N 3.47Å
245	V	97.2	Very high	94.5	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.2	-42.1	171.9	172.6	0	0	0	0	111.5	S239 D241 S242 I243 D247 I248 C249 I281 K284 L285	S239-V245 WeakPolarHBondContact O-CG2 3.18Å; D241-V245 PolarHBondContact O-N 3.39Å; D241-V245 VanDerWaalsContact O-N 3.12Å; S242-V245 PolarHBondContact O-N 2.6Å; I243-V245 PolarHBondContact O-N 3.46Å; V245-D247 VanDerWaalsContact C-N 3.32Å; V245-D247 PolarHBondContact O-N 3.09Å; V245-I248 PolarHBondContact O-N 3.49Å; V245-C249 WeakPolarHBondContact O-CB 3.19Å; V245-C249 PolarHBondContact O-N 3.2Å; V245-C249 PolarHBondContact O-SG 3.12Å; V245-I281 HydrophobicContact CG1-CB 4.28Å; V245-I281 HydrophobicContact CG1-CG1 4.28Å; V245-I281 HydrophobicContact CG1-CG2 3.97Å; V245-K284 HydrophobicContact CG2-CB 3.88Å; V245-L285 HydrophobicContact CG1-CD2 3.73Å; V245-L285 HydrophobicContact CG1-CG 3.69Å
246	T	94.8	Very high	94.3	Very high	28 Å²	28	28 Å²	28	17%	0.172	16%	0.157	C	C	.	.	H	α-helix	trans	-62.2	-41.7	177.6	-56.5	0	0	0	0	111.1	S242 I243 H244 C249 K250	S242-T246 PolarHBondContact O-N 2.84Å; S242-T246 PolarHBondContact O-OG1 3.21Å; I243-T246 WeakPolarHBondContact O-CB 3.45Å; I243-T246 PolarHBondContact O-N 2.93Å; H244-T246 VanDerWaalsContact C-N 3.28Å; H244-T246 PolarHBondContact O-N 3.46Å; T246-C249 PolarHBondContact O-N 3Å; T246-K250 VanDerWaalsContact O-CG 3.31Å; T246-K250 WeakPolarHBondContact O-CG 3.21Å; T246-K250 PolarHBondContact O-N 3.26Å; T246-K250 VanDerWaalsContact O-N 3.09Å
247	D	93.4	Very high	94.2	Very high	60 Å²	60	28.8 Å²	28.8	32%	0.321	16%	0.161	S	C	.	.	H	α-helix	trans	-68.9	-41.9	177.6	-63.7	-26.3	0	0	0	112.3	I243 H244 V245 C249 K250 N251	I243-D247 PolarHBondContact O-N 3.19Å; I243-D247 VanDerWaalsContact O-N 3.17Å; H244-D247 PolarHBondContact O-N 3.47Å; V245-D247 VanDerWaalsContact C-N 3.32Å; V245-D247 PolarHBondContact O-N 3.09Å; D247-C249 PolarHBondContact O-N 3.4Å; D247-K250 PolarHBondContact O-N 2.91Å; D247-K250 IonicContact OD1-NZ 3.72Å; D247-K250 PolarHBondContact OD1-NZ 3.1Å; D247-N251 PolarHBondContact O-N 3.11Å
248	I	95.8	Very high	94.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58.4	-46.9	172.9	-70.4	165.3	0	0	0	110.7	I211 L235 M238 H244 V245 K250 N251 L254 F277 I281	I211-I248 HydrophobicContact CD1-CG1 4.26Å; I211-I248 HydrophobicContact CG2-CG1 3.67Å; L235-I248 HydrophobicContact CD2-CD1 4.46Å; M238-I248 HydrophobicContact CB-CD1 4.18Å; H244-I248 WeakPolarHBondContact O-CB 3.45Å; H244-I248 VanDerWaalsContact O-CG1 3.24Å; H244-I248 WeakPolarHBondContact O-CG1 3.46Å; H244-I248 PolarHBondContact O-N 3.47Å; V245-I248 PolarHBondContact O-N 3.49Å; I248-K250 VanDerWaalsContact C-N 3.31Å; I248-K250 PolarHBondContact O-N 3.45Å; I248-N251 PolarHBondContact O-N 3.46Å; I248-N251 VanDerWaalsContact O-N 3.11Å; I248-L254 HydrophobicContact CG1-CD2 4.4Å; I248-L254 HydrophobicContact CG2-CD2 4.17Å; I248-F277 HydrophobicContact CD1-CE2 4.24Å; I248-F277 HydrophobicContact CG2-CE2 4.38Å; I248-F277 HydrophobicContact CG2-CZ 3.82Å; I248-I281 HydrophobicContact CG2-CD1 4.11Å
249	C	92.9	Very high	94.2	Very high	10 Å²	10	28.8 Å²	28.8	7%	0.068	16%	0.161	C	C	.	.	H	α-helix	trans	-71.3	-22.5	-177.7	-67.5	0	0	0	0	113.5	V245 T246 D247 N251 I281 L285 R297	V245-C249 WeakPolarHBondContact O-CB 3.19Å; V245-C249 PolarHBondContact O-N 3.2Å; V245-C249 PolarHBondContact O-SG 3.12Å; T246-C249 PolarHBondContact O-N 3Å; D247-C249 PolarHBondContact O-N 3.4Å; C249-N251 VanDerWaalsContact C-N 3.3Å; C249-I281 VanDerWaalsContact SG-CG2 3.53Å; C249-L285 HydrophobicContact CB-CD2 4.43Å; C249-R297 PolarHBondContact O-NH1 3.01Å
250	K	89.7	Confident	94.2	Very high	147 Å²	147	31 Å²	31	64%	0.639	17%	0.173	S	C	*	.	H	α-helix	trans	-70	-30.3	170.2	-74.8	167.8	-173.2	160.3	0	111.7	T246 D247 I248 S252	T246-K250 VanDerWaalsContact O-CG 3.31Å; T246-K250 WeakPolarHBondContact O-CG 3.21Å; T246-K250 PolarHBondContact O-N 3.26Å; T246-K250 VanDerWaalsContact O-N 3.09Å; D247-K250 PolarHBondContact O-N 2.91Å; D247-K250 IonicContact OD1-NZ 3.72Å; D247-K250 PolarHBondContact OD1-NZ 3.1Å; I248-K250 VanDerWaalsContact C-N 3.31Å; I248-K250 PolarHBondContact O-N 3.45Å; K250-S252 PolarHBondContact O-N 3.31Å; K250-S252 VanDerWaalsContact O-N 3.15Å
251	N	89.9	Confident	94.2	Very high	46 Å²	46	31.1 Å²	31.1	25%	0.246	17%	0.174	C	C	.	.			trans	-84.4	82.1	174.9	-170.1	-19.3	0	0	0	110.4	D247 I248 C249 A253 L254 L255	D247-N251 PolarHBondContact O-N 3.11Å; I248-N251 PolarHBondContact O-N 3.46Å; I248-N251 VanDerWaalsContact O-N 3.11Å; C249-N251 VanDerWaalsContact C-N 3.3Å; N251-A253 PolarHBondContact O-N 3.4Å; N251-A253 PolarHBondContact OD1-N 3.24Å; N251-L254 HydrophobicContact CB-CB 4Å; N251-L254 PolarHBondContact O-N 3.38Å; N251-L254 VanDerWaalsContact O-N 3.16Å; N251-L254 PolarHBondContact OD1-N 3.04Å; N251-L255 PolarHBondContact O-N 3.48Å
252	S	86.3	Confident	94.4	Very high	37 Å²	37	30.2 Å²	30.2	26%	0.259	17%	0.169	S	C	.	.	H	α-helix	trans	-56.9	-33.7	179.1	-64.6	0	0	0	0	113.2	K250 L255 A256 R297	K250-S252 PolarHBondContact O-N 3.31Å; K250-S252 VanDerWaalsContact O-N 3.15Å; S252-L255 PolarHBondContact O-N 2.99Å; S252-A256 VanDerWaalsContact O-CB 3.26Å; S252-A256 WeakPolarHBondContact O-CB 3.36Å; S252-A256 PolarHBondContact O-N 3.4Å; S252-R297 PolarHBondContact OG-NH1 3.2Å
253	A	89.7	Confident	94.5	Very high	45 Å²	45	29.9 Å²	29.9	37%	0.372	16%	0.163	S	C	.	.	H	α-helix	trans	-65.7	-42.3	178.6	0	0	0	0	0	111.7	N251 A256 T257	N251-A253 PolarHBondContact O-N 3.4Å; N251-A253 PolarHBondContact OD1-N 3.24Å; A253-A256 PolarHBondContact O-N 3.48Å; A253-T257 WeakPolarHBondContact O-CB 3.4Å; A253-T257 PolarHBondContact O-N 3.3Å; A253-T257 PolarHBondContact O-OG1 3.07Å
254	L	95	Very high	94.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.4	-50.3	175.3	168.8	60.4	0	0	0	111.3	I211 L218 L235 I248 N251 A256 T257 V258	I211-L254 HydrophobicContact CG2-CD2 3.8Å; L218-L254 HydrophobicContact CD1-CD1 4.21Å; L235-L254 HydrophobicContact CD1-CD1 3.67Å; L235-L254 HydrophobicContact CD1-CG 4.47Å; L235-L254 HydrophobicContact CD2-CD1 4.49Å; L235-L254 HydrophobicContact CD2-CD2 4.05Å; I248-L254 HydrophobicContact CG1-CD2 4.4Å; I248-L254 HydrophobicContact CG2-CD2 4.17Å; N251-L254 HydrophobicContact CB-CB 4Å; N251-L254 PolarHBondContact O-N 3.38Å; N251-L254 VanDerWaalsContact O-N 3.16Å; N251-L254 PolarHBondContact OD1-N 3.04Å; L254-A256 VanDerWaalsContact C-N 3.3Å; L254-A256 PolarHBondContact O-N 2.91Å; L254-T257 WeakPolarHBondContact O-CB 3.13Å; L254-T257 PolarHBondContact O-N 3.04Å; L254-V258 HydrophobicContact CD1-CG2 4.16Å; L254-V258 WeakPolarHBondContact O-CG2 2.95Å; L254-V258 PolarHBondContact O-N 3.33Å
255	L	94.7	Very high	94.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.1	-41.6	-179.4	-173.5	62.3	0	0	0	111.6	N251 S252 V258 A259 F277 F278 I281 L298 Y301	N251-L255 PolarHBondContact O-N 3.48Å; S252-L255 PolarHBondContact O-N 2.99Å; L255-V258 PolarHBondContact O-N 3.39Å; L255-A259 PolarHBondContact O-N 3.24Å; L255-F277 HydrophobicContact CD1-CE1 4.35Å; L255-F278 HydrophobicContact CD1-CD1 4.4Å; L255-F278 HydrophobicContact CD1-CE1 4.29Å; L255-I281 HydrophobicContact CD1-CD1 3.96Å; L255-L298 HydrophobicContact CD1-CD2 4.07Å; L255-L298 HydrophobicContact CD2-CD2 4.38Å; L255-L298 HydrophobicContact CG-CD2 4.23Å; L255-Y301 HydrophobicContact CB-CE2 4.38Å; L255-Y301 HydrophobicContact CD2-CE2 4.2Å; L255-Y301 HydrophobicContact CG-CE2 4.08Å
256	A	93.7	Very high	94	Very high	2 Å²	2	36 Å²	36	2%	0.017	20%	0.196	C	C	.	.	H	α-helix	trans	-65.5	-38.8	177.4	0	0	0	0	0	112.1	S252 A253 L254 V258 A259 D260 Y301 R353	S252-A256 VanDerWaalsContact O-CB 3.26Å; S252-A256 WeakPolarHBondContact O-CB 3.36Å; S252-A256 PolarHBondContact O-N 3.4Å; A253-A256 PolarHBondContact O-N 3.48Å; L254-A256 VanDerWaalsContact C-N 3.3Å; L254-A256 PolarHBondContact O-N 2.91Å; A256-V258 PolarHBondContact O-N 2.98Å; A256-A259 WeakPolarHBondContact O-CB 3.45Å; A256-A259 PolarHBondContact O-N 3.01Å; A256-D260 VanDerWaalsContact O-CG 3.29Å; A256-D260 PolarHBondContact O-N 3.27Å; A256-Y301 HydrophobicContact CB-CD1 4.21Å; A256-Y301 HydrophobicContact CB-CD2 4.3Å; A256-Y301 HydrophobicContact CB-CE1 3.79Å; A256-Y301 HydrophobicContact CB-CE2 3.9Å; A256-Y301 HydrophobicContact CB-CG 4.46Å; A256-R353 VanDerWaalsContact CB-CZ 3.49Å
257	T	95.9	Very high	93.8	Very high	16 Å²	16	41.9 Å²	41.9	10%	0.098	22%	0.215	C	C	.	.	H	α-helix	trans	-62.4	-43.2	175.8	-57.5	0	0	0	0	111.6	L218 Q219 A253 L254 A259 D260 I261	L218-T257 HydrophobicContact CB-CG2 3.85Å; L218-T257 WeakPolarHBondContact O-CG2 3.32Å; Q219-T257 HydrophobicContact CG-CG2 4.06Å; Q219-T257 VanDerWaalsContact CG-OG1 3.27Å; Q219-T257 WeakPolarHBondContact CG-OG1 3.09Å; A253-T257 WeakPolarHBondContact O-CB 3.4Å; A253-T257 PolarHBondContact O-N 3.3Å; A253-T257 PolarHBondContact O-OG1 3.07Å; L254-T257 WeakPolarHBondContact O-CB 3.13Å; L254-T257 PolarHBondContact O-N 3.04Å; T257-A259 VanDerWaalsContact C-N 3.32Å; T257-A259 PolarHBondContact O-N 3.22Å; T257-D260 PolarHBondContact O-N 3.05Å; T257-I261 HydrophobicContact CG2-CD1 4.14Å; T257-I261 WeakPolarHBondContact O-CG1 3.47Å; T257-I261 PolarHBondContact O-N 2.95Å
258	V	97.8	Very high	93.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-66.8	-36.4	176.8	-178.8	0	0	0	0	111.3	L218 I232 L235 L254 L255 A256 I261 F262 F277 F278	L218-V258 HydrophobicContact CD1-CG2 4.18Å; I232-V258 HydrophobicContact CD1-CG1 4.11Å; I232-V258 HydrophobicContact CG1-CG1 4.13Å; I232-V258 HydrophobicContact CG1-CG2 4.35Å; I232-V258 HydrophobicContact CG2-CG1 4.15Å; L235-V258 HydrophobicContact CD1-CG2 3.84Å; L254-V258 HydrophobicContact CD1-CG2 4.16Å; L254-V258 WeakPolarHBondContact O-CG2 2.95Å; L254-V258 PolarHBondContact O-N 3.33Å; L255-V258 PolarHBondContact O-N 3.39Å; A256-V258 PolarHBondContact O-N 2.98Å; V258-I261 PolarHBondContact O-N 3.08Å; V258-F262 WeakPolarHBondContact O-CB 3.41Å; V258-F262 PolarHBondContact O-N 3.03Å; V258-F277 HydrophobicContact CB-CD1 4.47Å; V258-F277 HydrophobicContact CB-CE1 4.1Å; V258-F277 HydrophobicContact CG1-CD1 3.68Å; V258-F277 HydrophobicContact CG1-CE1 3.8Å; V258-F277 HydrophobicContact CG2-CE1 4.05Å; V258-F278 HydrophobicContact CB-CE1 4.3Å; V258-F278 HydrophobicContact CG1-CE1 3.8Å; V258-F278 HydrophobicContact CG1-CZ 3.9Å
259	A	97.3	Very high	93.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.4	-46.6	172.4	0	0	0	0	0	111.6	L255 A256 T257 I261 F262 L263 F278 Y301 V303	L255-A259 PolarHBondContact O-N 3.24Å; A256-A259 WeakPolarHBondContact O-CB 3.45Å; A256-A259 PolarHBondContact O-N 3.01Å; T257-A259 VanDerWaalsContact C-N 3.32Å; T257-A259 PolarHBondContact O-N 3.22Å; A259-I261 PolarHBondContact O-N 2.85Å; A259-F262 WeakPolarHBondContact O-CA 3.43Å; A259-F262 WeakPolarHBondContact O-CB 3.37Å; A259-F262 PolarHBondContact O-N 3.14Å; A259-F262 VanDerWaalsContact O-N 3.1Å; A259-L263 WeakPolarHBondContact O-CG 3.31Å; A259-L263 PolarHBondContact O-N 3Å; A259-F278 HydrophobicContact CB-CZ 4.35Å; A259-Y301 HydrophobicContact CB-CD2 4.07Å; A259-Y301 HydrophobicContact CB-CG 4.17Å; A259-V303 HydrophobicContact CB-CG2 3.88Å
260	D	95.9	Very high	93.7	Very high	48 Å²	48	45 Å²	45	26%	0.257	23%	0.226	S	C	.	.	H	α-helix	trans	-60.3	-44.3	177.1	-64.7	-26.6	0	0	0	112.3	A256 T257 F262 L263 E264 R353	A256-D260 VanDerWaalsContact O-CG 3.29Å; A256-D260 PolarHBondContact O-N 3.27Å; T257-D260 PolarHBondContact O-N 3.05Å; D260-F262 PolarHBondContact O-N 3.37Å; D260-L263 PolarHBondContact O-N 3.18Å; D260-L263 VanDerWaalsContact O-N 3.16Å; D260-E264 WeakPolarHBondContact O-CG 3.46Å; D260-E264 PolarHBondContact O-N 3.39Å; D260-R353 IonicContact OD1-CZ 2.67Å; D260-R353 IonicContact OD1-NH1 2.55Å; D260-R353 PolarHBondContact OD1-NH1 2.89Å; D260-R353 IonicContact OD1-NH2 3.16Å; D260-R353 IonicContact OD2-CZ 3.37Å; D260-R353 VanDerWaalsContact OD2-CZ 3.24Å; D260-R353 IonicContact OD2-NH1 3.54Å; D260-R353 PolarHBondContact OD2-NH1 3Å; D260-R353 IonicContact OD2-NH2 3.2Å; D260-R353 PolarHBondContact OD2-NH2 2.85Å
261	I	97.6	Very high	94	Very high	8 Å²	8	38.7 Å²	38.7	4%	0.041	20%	0.2	C	C	.	.	H	α-helix	trans	-60.2	-37.9	176.5	-67.8	166.1	0	0	0	111.1	L218 Q228 I232 T257 V258 A259 A265 I270	L218-I261 HydrophobicContact CB-CD1 4.42Å; L218-I261 HydrophobicContact CD2-CD1 3.8Å; Q228-I261 HydrophobicContact CB-CD1 4.34Å; Q228-I261 HydrophobicContact CB-CG2 4.2Å; Q228-I261 HydrophobicContact CG-CD1 4Å; Q228-I261 HydrophobicContact CG-CG1 4.47Å; I232-I261 HydrophobicContact CD1-CB 4.23Å; I232-I261 HydrophobicContact CD1-CD1 4.25Å; I232-I261 HydrophobicContact CD1-CG2 3.66Å; T257-I261 HydrophobicContact CG2-CD1 4.14Å; T257-I261 WeakPolarHBondContact O-CG1 3.47Å; T257-I261 PolarHBondContact O-N 2.95Å; V258-I261 PolarHBondContact O-N 3.08Å; A259-I261 PolarHBondContact O-N 2.85Å; I261-A265 WeakPolarHBondContact O-CB 3.41Å; I261-A265 PolarHBondContact O-N 3.33Å; I261-A265 VanDerWaalsContact O-N 3.13Å; I261-I270 HydrophobicContact CG2-CG2 3.73Å
262	F	98	Very high	94.2	Very high	3 Å²	3	37.5 Å²	37.5	1%	0.013	19%	0.192	C	C	.	.	H	α-helix	trans	-65.4	-45.9	174.3	162.1	-104.6	0	0	0	112.2	V258 A259 D260 E264 A265 T271 L275 F278 V303 E306 L310	V258-F262 WeakPolarHBondContact O-CB 3.41Å; V258-F262 PolarHBondContact O-N 3.03Å; A259-F262 WeakPolarHBondContact O-CA 3.43Å; A259-F262 WeakPolarHBondContact O-CB 3.37Å; A259-F262 PolarHBondContact O-N 3.14Å; A259-F262 VanDerWaalsContact O-N 3.1Å; D260-F262 PolarHBondContact O-N 3.37Å; F262-E264 VanDerWaalsContact C-N 3.26Å; F262-E264 PolarHBondContact O-N 3.2Å; F262-A265 WeakPolarHBondContact O-CB 3.4Å; F262-A265 PolarHBondContact O-N 3.48Å; F262-A265 VanDerWaalsContact O-N 3.16Å; F262-T271 HydrophobicContact CD2-CG2 4.24Å; F262-T271 HydrophobicContact CE2-CG2 3.79Å; F262-L275 HydrophobicContact CD2-CD2 4.05Å; F262-L275 HydrophobicContact CD2-CG 4.33Å; F262-L275 HydrophobicContact CE1-CD2 4.47Å; F262-L275 HydrophobicContact CE2-CD1 4.25Å; F262-L275 HydrophobicContact CE2-CD2 3.38Å; F262-L275 HydrophobicContact CE2-CG 3.77Å; F262-L275 HydrophobicContact CZ-CD2 3.64Å; F262-L275 HydrophobicContact CZ-CG 4.46Å; F262-F278 HydrophobicContact CB-CE2 4.05Å; F262-F278 HydrophobicContact CB-CZ 4.26Å; F262-F278 HydrophobicContact CD1-CE2 4.09Å; F262-F278 AromaticContact CG-CE2 3.96Å; F262-F278 HydrophobicContact CG-CE2 3.96Å; F262-V303 HydrophobicContact CD1-CG1 4.32Å; F262-V303 HydrophobicContact CD1-CG2 4.29Å; F262-V303 HydrophobicContact CE1-CB 4.37Å; F262-V303 HydrophobicContact CE1-CG1 3.87Å; F262-V303 HydrophobicContact CE1-CG2 4.5Å; F262-E306 HydrophobicContact CD1-CG 4.47Å; F262-E306 HydrophobicContact CE1-CB 3.7Å; F262-E306 HydrophobicContact CE1-CG 3.65Å; F262-E306 HydrophobicContact CZ-CB 4.08Å; F262-E306 HydrophobicContact CZ-CG 3.7Å; F262-L310 HydrophobicContact CE2-CD1 3.87Å; F262-L310 HydrophobicContact CZ-CD1 3.82Å
263	L	96.8	Very high	94.7	Very high	50 Å²	50	35.8 Å²	35.8	26%	0.262	18%	0.18	S	C	.	.	H	α-helix	trans	-62.4	-34.7	178	-64.2	179.2	0	0	0	112.3	A259 D260 A265 Y301 K302 E306	A259-L263 WeakPolarHBondContact O-CG 3.31Å; A259-L263 PolarHBondContact O-N 3Å; D260-L263 PolarHBondContact O-N 3.18Å; D260-L263 VanDerWaalsContact O-N 3.16Å; L263-A265 VanDerWaalsContact C-N 3.35Å; L263-Y301 WeakPolarHBondContact CD1-O 3.48Å; L263-K302 HydrophobicContact CD1-CB 4.13Å; L263-K302 HydrophobicContact CD2-CB 4.3Å; L263-E306 HydrophobicContact CD2-CB 3.55Å; L263-E306 HydrophobicContact CD2-CG 3.99Å
264	E	95.3	Very high	95.1	Very high	124 Å²	124	33.7 Å²	33.7	58%	0.579	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	7.3	179.2	-63.7	-176.9	-176.7	0	0	113.3	R225 D260 F262 D266	R225-E264 PolarHBondContact NH1-O 3.21Å; R225-E264 PolarHBondContact NH2-O 3.07Å; D260-E264 WeakPolarHBondContact O-CG 3.46Å; D260-E264 PolarHBondContact O-N 3.39Å; F262-E264 VanDerWaalsContact C-N 3.26Å; F262-E264 PolarHBondContact O-N 3.2Å; E264-D266 PolarHBondContact O-N 3.04Å
265	A	94.1	Very high	95.2	Very high	24 Å²	24	33.7 Å²	33.7	20%	0.198	16%	0.162	C	C	.	.			trans	-71.9	115.5	-174.5	0	0	0	0	0	111.6	I261 F262 L263 I270	I261-A265 WeakPolarHBondContact O-CB 3.41Å; I261-A265 PolarHBondContact O-N 3.33Å; I261-A265 VanDerWaalsContact O-N 3.13Å; F262-A265 WeakPolarHBondContact O-CB 3.4Å; F262-A265 PolarHBondContact O-N 3.48Å; F262-A265 VanDerWaalsContact O-N 3.16Å; L263-A265 VanDerWaalsContact C-N 3.35Å; A265-I270 HydrophobicContact CB-CB 4.04Å; A265-I270 HydrophobicContact CB-CG2 3.78Å
266	D	90.6	Very high	95.4	Very high	109 Å²	109	33.9 Å²	33.9	58%	0.583	16%	0.164	S	C	*	.			trans	-94.4	-11.5	171.5	68.4	-33.7	0	0	0	112.7	E264	E264-D266 PolarHBondContact O-N 3.04Å
267	R	90.1	Very high	95.6	Very high	151 Å²	151	33.8 Å²	33.8	57%	0.57	16%	0.163	S	C	*	.	S	Bend	trans	-110.7	124.5	178.9	-58.6	-58.6	-177.9	156.1	1.8	110.5	K269 I270 T271	R267-K269 HydrophobicContact CB-CG 4.18Å; R267-K269 PolarHBondContact O-N 3.43Å; R267-K269 VanDerWaalsContact O-N 3.12Å; R267-I270 HydrophobicContact CB-CD1 4.26Å; R267-I270 HydrophobicContact CB-CG1 4.34Å; R267-I270 WeakPolarHBondContact O-CB 3.3Å; R267-I270 PolarHBondContact O-N 3.06Å; R267-T271 PolarHBondContact O-N 3.5Å; R267-T271 PolarHBondContact O-OG1 3.06Å
268	E	92.1	Very high	95.7	Very high	75 Å²	75	33 Å²	33	35%	0.35	16%	0.159	S	C	.	.	H	α-helix	trans	-51.6	-38.7	177.8	-170.7	-172	121.5	0	0	113.1	I270 T271 R272 H317 L321	E268-I270 PolarHBondContact O-N 3.46Å; E268-T271 CarbonylContact O-C 3.44Å; E268-T271 WeakPolarHBondContact O-CB 3.44Å; E268-T271 PolarHBondContact O-N 3.38Å; E268-T271 VanDerWaalsContact O-N 3.12Å; E268-R272 HydrophobicContact CG-CG 4.26Å; E268-R272 WeakPolarHBondContact O-CB 3.38Å; E268-R272 WeakPolarHBondContact O-CG 3.47Å; E268-R272 PolarHBondContact O-N 3.25Å; E268-H317 IonicContact OE1-NE2 3.85Å; E268-H317 IonicContact OE2-NE2 3.88Å; E268-L321 HydrophobicContact CG-CD2 4.16Å
269	K	92.2	Very high	95.7	Very high	61 Å²	61	34.5 Å²	34.5	27%	0.265	16%	0.164	S	C	.	.	H	α-helix	trans	-58.2	-33.1	176.6	70.9	179.2	177.1	-177	0	113.7	Y229 R267 I273	Y229-K269 HydrophobicContact CD2-CB 4.28Å; Y229-K269 HydrophobicContact CD2-CD 4.38Å; Y229-K269 HydrophobicContact CD2-CG 4.13Å; Y229-K269 WeakPolarHBondContact CD2-O 3.4Å; Y229-K269 HydrophobicContact CE2-CB 4.28Å; Y229-K269 HydrophobicContact CG-CD 4.4Å; R267-K269 HydrophobicContact CB-CG 4.18Å; R267-K269 PolarHBondContact O-N 3.43Å; R267-K269 VanDerWaalsContact O-N 3.12Å; K269-I273 WeakPolarHBondContact O-CG2 3.29Å; K269-I273 PolarHBondContact O-N 3.34Å
270	I	95	Very high	95.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-74.9	-46.2	176.8	-64	174.1	0	0	0	108.7	R225 I261 A265 R267 E268 R272 I273 S274	R225-I270 HydrophobicContact CB-CD1 4.01Å; I261-I270 HydrophobicContact CG2-CG2 3.73Å; A265-I270 HydrophobicContact CB-CB 4.04Å; A265-I270 HydrophobicContact CB-CG2 3.78Å; R267-I270 HydrophobicContact CB-CD1 4.26Å; R267-I270 HydrophobicContact CB-CG1 4.34Å; R267-I270 WeakPolarHBondContact O-CB 3.3Å; R267-I270 PolarHBondContact O-N 3.06Å; E268-I270 PolarHBondContact O-N 3.46Å; I270-R272 PolarHBondContact O-N 3.49Å; I270-I273 WeakPolarHBondContact O-CG2 3.48Å; I270-I273 PolarHBondContact O-N 2.76Å; I270-S274 WeakPolarHBondContact O-CB 3.46Å; I270-S274 PolarHBondContact O-N 2.89Å; I270-S274 PolarHBondContact O-OG 3Å; I270-S274 VanDerWaalsContact O-OG 3.08Å
271	T	95.7	Very high	95.8	Very high	13 Å²	13	32.2 Å²	32.2	8%	0.08	15%	0.152	C	C	.	.	H	α-helix	trans	-52.9	-53.1	174.1	-48.4	0	0	0	0	110.8	F262 R267 E268 I273 S274 L275 L310	F262-T271 HydrophobicContact CD2-CG2 4.24Å; F262-T271 HydrophobicContact CE2-CG2 3.79Å; R267-T271 PolarHBondContact O-N 3.5Å; R267-T271 PolarHBondContact O-OG1 3.06Å; E268-T271 CarbonylContact O-C 3.44Å; E268-T271 WeakPolarHBondContact O-CB 3.44Å; E268-T271 PolarHBondContact O-N 3.38Å; E268-T271 VanDerWaalsContact O-N 3.12Å; T271-I273 PolarHBondContact O-N 3.01Å; T271-S274 PolarHBondContact O-N 3.43Å; T271-L275 HydrophobicContact CG2-CD1 4.19Å; T271-L275 VanDerWaalsContact O-CG 3.28Å; T271-L275 WeakPolarHBondContact O-CG 3.38Å; T271-L275 PolarHBondContact O-N 3.28Å; T271-L310 HydrophobicContact CG2-CD1 3.82Å; T271-L310 HydrophobicContact CG2-CD2 4.48Å
272	R	95.3	Very high	95.8	Very high	21 Å²	21	32.3 Å²	32.3	8%	0.079	15%	0.152	C	C	.	.	H	α-helix	trans	-55.4	-53.5	178.9	-74.5	-178.9	68.1	140.3	7.7	112.8	E268 I270 S274 L275 A276 D318 E320 L321	E268-R272 HydrophobicContact CG-CG 4.26Å; E268-R272 WeakPolarHBondContact O-CB 3.38Å; E268-R272 WeakPolarHBondContact O-CG 3.47Å; E268-R272 PolarHBondContact O-N 3.25Å; I270-R272 PolarHBondContact O-N 3.49Å; R272-S274 VanDerWaalsContact C-N 3.31Å; R272-S274 PolarHBondContact O-N 3.02Å; R272-L275 PolarHBondContact O-N 3.47Å; R272-A276 WeakPolarHBondContact O-CB 3.31Å; R272-A276 PolarHBondContact O-N 2.82Å; R272-D318 VanDerWaalsContact CD-OD2 3.24Å; R272-D318 WeakPolarHBondContact CD-OD2 3.42Å; R272-D318 VanDerWaalsContact CZ-CG 3.45Å; R272-D318 IonicContact CZ-OD1 3.7Å; R272-D318 IonicContact CZ-OD2 2.97Å; R272-D318 IonicContact NE-OD2 3.64Å; R272-D318 PolarHBondContact NE-OD2 2.93Å; R272-D318 IonicContact NH1-OD1 3.36Å; R272-D318 PolarHBondContact NH1-OD1 2.76Å; R272-D318 IonicContact NH1-OD2 3.07Å; R272-D318 PolarHBondContact NH1-OD2 3.46Å; R272-D318 IonicContact NH2-OD1 2.74Å; R272-D318 PolarHBondContact NH2-OD1 3.07Å; R272-D318 IonicContact NH2-OD2 2.76Å; R272-E320 IonicContact CZ-OE2 3.73Å; R272-E320 IonicContact NH2-OE2 3.44Å; R272-E320 PolarHBondContact NH2-OE2 3.38Å; R272-L321 HydrophobicContact CG-CB 4.19Å; R272-L321 HydrophobicContact CG-CD1 3.99Å; R272-L321 HydrophobicContact CG-CD2 4.04Å; R272-L321 HydrophobicContact CG-CG 4.31Å
273	I	96.3	Very high	95.7	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-67.4	-34.5	-175.1	-164.3	59.5	0	0	0	111.9	I11 Y229 I232 F233 W236 K269 I270 T271 F277	I11-I273 HydrophobicContact CD1-CD1 4.37Å; Y229-I273 HydrophobicContact CD2-CB 4.17Å; Y229-I273 HydrophobicContact CD2-CG2 3.64Å; Y229-I273 HydrophobicContact CE2-CB 4.01Å; Y229-I273 HydrophobicContact CE2-CG1 4.39Å; Y229-I273 HydrophobicContact CE2-CG2 4.01Å; I232-I273 HydrophobicContact CB-CG2 4.15Å; I232-I273 HydrophobicContact CG2-CB 4.49Å; I232-I273 HydrophobicContact CG2-CG1 4.11Å; I232-I273 HydrophobicContact CG2-CG2 3.86Å; F233-I273 HydrophobicContact CB-CD1 4.18Å; F233-I273 HydrophobicContact CB-CG1 4.02Å; F233-I273 HydrophobicContact CD2-CD1 3.82Å; F233-I273 HydrophobicContact CD2-CG1 4.46Å; F233-I273 HydrophobicContact CG-CD1 4.37Å; W236-I273 HydrophobicContact CB-CD1 4.04Å; W236-I273 HydrophobicContact CD2-CD1 3.92Å; W236-I273 HydrophobicContact CE3-CD1 3.94Å; W236-I273 HydrophobicContact CG-CD1 3.99Å; K269-I273 WeakPolarHBondContact O-CG2 3.29Å; K269-I273 PolarHBondContact O-N 3.34Å; I270-I273 WeakPolarHBondContact O-CG2 3.48Å; I270-I273 PolarHBondContact O-N 2.76Å; T271-I273 PolarHBondContact O-N 3.01Å; I273-F277 VanDerWaalsContact O-CB 3.27Å; I273-F277 WeakPolarHBondContact O-CB 3.25Å; I273-F277 PolarHBondContact O-N 3.38Å
274	S	98	Very high	95.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.3	-43.1	174.9	-64.3	0	0	0	0	111.9	I270 T271 R272 F277 F278	I270-S274 WeakPolarHBondContact O-CB 3.46Å; I270-S274 PolarHBondContact O-N 2.89Å; I270-S274 PolarHBondContact O-OG 3Å; I270-S274 VanDerWaalsContact O-OG 3.08Å; T271-S274 PolarHBondContact O-N 3.43Å; R272-S274 VanDerWaalsContact C-N 3.31Å; R272-S274 PolarHBondContact O-N 3.02Å; S274-F277 WeakPolarHBondContact O-CB 3.4Å; S274-F277 PolarHBondContact O-N 3.37Å; S274-F278 WeakPolarHBondContact O-CD2 3.13Å; S274-F278 VanDerWaalsContact O-CG 3.23Å; S274-F278 WeakPolarHBondContact O-CG 3.26Å; S274-F278 PolarHBondContact O-N 3.45Å
275	L	97.9	Very high	95.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66.2	-44.4	177.2	-66.1	-175.9	0	0	0	111.9	F262 T271 R272 F277 F278 R279 L307 L310 L321 D324 I325 L328	F262-L275 HydrophobicContact CD2-CD2 4.05Å; F262-L275 HydrophobicContact CD2-CG 4.33Å; F262-L275 HydrophobicContact CE1-CD2 4.47Å; F262-L275 HydrophobicContact CE2-CD1 4.25Å; F262-L275 HydrophobicContact CE2-CD2 3.38Å; F262-L275 HydrophobicContact CE2-CG 3.77Å; F262-L275 HydrophobicContact CZ-CD2 3.64Å; F262-L275 HydrophobicContact CZ-CG 4.46Å; T271-L275 HydrophobicContact CG2-CD1 4.19Å; T271-L275 VanDerWaalsContact O-CG 3.28Å; T271-L275 WeakPolarHBondContact O-CG 3.38Å; T271-L275 PolarHBondContact O-N 3.28Å; R272-L275 PolarHBondContact O-N 3.47Å; L275-F277 PolarHBondContact O-N 2.99Å; L275-F278 HydrophobicContact CD2-CD2 4.22Å; L275-F278 PolarHBondContact O-N 2.67Å; L275-R279 WeakPolarHBondContact O-CB 3.43Å; L275-R279 PolarHBondContact O-N 2.77Å; L275-L307 HydrophobicContact CD1-CD2 4.18Å; L275-L307 HydrophobicContact CD2-CD2 3.69Å; L275-L307 HydrophobicContact CD2-CG 4.49Å; L275-L310 HydrophobicContact CD1-CD1 4.36Å; L275-L321 HydrophobicContact CD1-CD1 3.55Å; L275-D324 HydrophobicContact CB-CB 4.17Å; L275-I325 HydrophobicContact CD1-CD1 4.39Å; L275-I325 HydrophobicContact CD1-CG1 3.58Å; L275-L328 HydrophobicContact CB-CD1 3.96Å; L275-L328 HydrophobicContact CD2-CD1 3.58Å; L275-L328 HydrophobicContact CG-CD1 4.31Å
276	A	97.1	Very high	95.6	Very high	5 Å²	5	33.5 Å²	33.5	4%	0.041	16%	0.159	C	C	.	.	H	α-helix	trans	-59	-37.3	174.4	0	0	0	0	0	111.8	I11 R272 S280 D324	I11-A276 HydrophobicContact CD1-CB 4.48Å; R272-A276 WeakPolarHBondContact O-CB 3.31Å; R272-A276 PolarHBondContact O-N 2.82Å; A276-S280 VanDerWaalsContact O-CB 3.23Å; A276-S280 WeakPolarHBondContact O-CB 3.48Å; A276-S280 PolarHBondContact O-N 3.47Å; A276-D324 WeakPolarHBondContact CA-OD2 3.46Å
277	F	98	Very high	95.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.9	-51.2	173.2	173.6	-118	0	0	0	113	I232 L235 W236 I248 L255 V258 I273 S274 L275 R279 S280 I281	I232-F277 HydrophobicContact CG2-CB 4.34Å; L235-F277 HydrophobicContact CB-CD2 4.11Å; L235-F277 HydrophobicContact CB-CE2 3.59Å; L235-F277 HydrophobicContact CB-CZ 3.89Å; L235-F277 HydrophobicContact CD1-CZ 4.26Å; W236-F277 HydrophobicContact CB-CB 4.21Å; W236-F277 HydrophobicContact CB-CD2 4.39Å; I248-F277 HydrophobicContact CD1-CE2 4.24Å; I248-F277 HydrophobicContact CG2-CE2 4.38Å; I248-F277 HydrophobicContact CG2-CZ 3.82Å; L255-F277 HydrophobicContact CD1-CE1 4.35Å; V258-F277 HydrophobicContact CB-CD1 4.47Å; V258-F277 HydrophobicContact CB-CE1 4.1Å; V258-F277 HydrophobicContact CG1-CD1 3.68Å; V258-F277 HydrophobicContact CG1-CE1 3.8Å; V258-F277 HydrophobicContact CG2-CE1 4.05Å; I273-F277 VanDerWaalsContact O-CB 3.27Å; I273-F277 WeakPolarHBondContact O-CB 3.25Å; I273-F277 PolarHBondContact O-N 3.38Å; S274-F277 WeakPolarHBondContact O-CB 3.4Å; S274-F277 PolarHBondContact O-N 3.37Å; L275-F277 PolarHBondContact O-N 2.99Å; F277-R279 VanDerWaalsContact C-N 3.31Å; F277-R279 PolarHBondContact O-N 3.08Å; F277-S280 PolarHBondContact O-N 3.47Å; F277-I281 HydrophobicContact CD1-CD1 4.03Å; F277-I281 HydrophobicContact CD2-CD1 3.97Å; F277-I281 HydrophobicContact CD2-CG1 4.27Å; F277-I281 HydrophobicContact CE1-CD1 3.54Å; F277-I281 HydrophobicContact CE2-CD1 3.47Å; F277-I281 VanDerWaalsContact CE2-CD1 3.47Å; F277-I281 HydrophobicContact CE2-CG1 3.97Å; F277-I281 HydrophobicContact CG-CD1 4.27Å; F277-I281 HydrophobicContact CZ-CD1 3.28Å; F277-I281 HydrophobicContact CZ-CG1 4.27Å; F277-I281 WeakPolarHBondContact O-CG1 3.5Å; F277-I281 PolarHBondContact O-N 3.2Å
278	F	98.4	Very high	95.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.8	-42.2	178.2	-59.5	-36.5	0	0	0	111.8	L255 V258 A259 F262 S274 L275 I281 L282 L298 V303 L328	L255-F278 HydrophobicContact CD1-CD1 4.4Å; L255-F278 HydrophobicContact CD1-CE1 4.29Å; V258-F278 HydrophobicContact CB-CE1 4.3Å; V258-F278 HydrophobicContact CG1-CE1 3.8Å; V258-F278 HydrophobicContact CG1-CZ 3.9Å; A259-F278 HydrophobicContact CB-CZ 4.35Å; F262-F278 HydrophobicContact CB-CE2 4.05Å; F262-F278 HydrophobicContact CB-CZ 4.26Å; F262-F278 HydrophobicContact CD1-CE2 4.09Å; F262-F278 AromaticContact CG-CE2 3.96Å; F262-F278 HydrophobicContact CG-CE2 3.96Å; S274-F278 WeakPolarHBondContact O-CD2 3.13Å; S274-F278 VanDerWaalsContact O-CG 3.23Å; S274-F278 WeakPolarHBondContact O-CG 3.26Å; S274-F278 PolarHBondContact O-N 3.45Å; L275-F278 HydrophobicContact CD2-CD2 4.22Å; L275-F278 PolarHBondContact O-N 2.67Å; F278-I281 PolarHBondContact O-N 3.2Å; F278-L282 WeakPolarHBondContact O-CG 3.5Å; F278-L282 PolarHBondContact O-N 2.94Å; F278-L282 VanDerWaalsContact O-N 3.08Å; F278-L298 HydrophobicContact CB-CD1 4.22Å; F278-L298 HydrophobicContact CD1-CD1 4.49Å; F278-L298 HydrophobicContact CD1-CD2 3.77Å; F278-L298 HydrophobicContact CE1-CD2 3.93Å; F278-L298 HydrophobicContact CG-CD1 4.43Å; F278-L298 HydrophobicContact CG-CD2 4.23Å; F278-V303 HydrophobicContact CD2-CG1 4.09Å; F278-V303 HydrophobicContact CE2-CG1 4.17Å; F278-V303 HydrophobicContact CE2-CG2 4.26Å; F278-L328 HydrophobicContact CB-CD1 4.15Å; F278-L328 HydrophobicContact CB-CD2 3.95Å
279	R	98	Very high	95.8	Very high	30 Å²	30	30.4 Å²	30.4	11%	0.113	17%	0.168	C	C	.	.	H	α-helix	trans	-58.6	-51.5	174.8	171.5	172.7	-171.9	166.5	6.5	110.8	R7 L275 F277 I281 L282 E283 D324 F327 L328	R7-R279 VanDerWaalsContact NH2-CZ 3.26Å; L275-R279 WeakPolarHBondContact O-CB 3.43Å; L275-R279 PolarHBondContact O-N 2.77Å; F277-R279 VanDerWaalsContact C-N 3.31Å; F277-R279 PolarHBondContact O-N 3.08Å; R279-I281 VanDerWaalsContact C-N 3.31Å; R279-I281 PolarHBondContact O-N 3.43Å; R279-L282 PolarHBondContact O-N 3.19Å; R279-L282 VanDerWaalsContact O-N 3.16Å; R279-E283 HydrophobicContact CG-CG 4.17Å; R279-E283 IonicContact CZ-OE1 3.11Å; R279-E283 IonicContact NE-OE1 2.72Å; R279-E283 PolarHBondContact NE-OE1 3.48Å; R279-E283 IonicContact NE-OE2 3.64Å; R279-E283 IonicContact NH2-OE1 2.75Å; R279-E283 PolarHBondContact NH2-OE1 3.12Å; R279-E283 WeakPolarHBondContact O-CB 3.38Å; R279-E283 WeakPolarHBondContact O-CG 3.46Å; R279-E283 PolarHBondContact O-N 3.02Å; R279-D324 WeakPolarHBondContact CD-OD1 3.21Å; R279-D324 IonicContact CZ-OD1 2.68Å; R279-D324 IonicContact NE-OD1 3.96Å; R279-D324 IonicContact NH1-OD1 3.22Å; R279-D324 PolarHBondContact NH1-OD1 3.4Å; R279-F327 HydrophobicContact CB-CD1 4.06Å; R279-F327 HydrophobicContact CB-CE1 4.2Å; R279-F327 HydrophobicContact CG-CD1 3.64Å; R279-F327 HydrophobicContact CG-CE1 3.69Å; R279-F327 HydrophobicContact CG-CG 4.27Å; R279-F327 HydrophobicContact CG-CZ 4.33Å; R279-L328 HydrophobicContact CB-CD2 4.38Å
280	S	97.1	Very high	95.8	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-60.1	-41.5	-178	-174.3	0	0	0	0	111.8	S239 A276 F277 E283 K284	S239-S280 PolarHBondContact O-OG 2.89Å; S239-S280 WeakPolarHBondContact OG-CB 3.4Å; S239-S280 PolarHBondContact OG-OG 3.24Å; A276-S280 VanDerWaalsContact O-CB 3.23Å; A276-S280 WeakPolarHBondContact O-CB 3.48Å; A276-S280 PolarHBondContact O-N 3.47Å; F277-S280 PolarHBondContact O-N 3.47Å; S280-E283 PolarHBondContact O-N 3.17Å; S280-K284 WeakPolarHBondContact O-CB 3.02Å; S280-K284 WeakPolarHBondContact O-CG 3.23Å; S280-K284 PolarHBondContact O-N 3.45Å
281	I	97.7	Very high	95.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-55.8	-54.3	172.4	-75.3	170.7	0	0	0	110.9	V245 I248 C249 L255 F277 F278 R279 E283 K284 L285	V245-I281 HydrophobicContact CG1-CB 4.28Å; V245-I281 HydrophobicContact CG1-CG1 4.28Å; V245-I281 HydrophobicContact CG1-CG2 3.97Å; I248-I281 HydrophobicContact CG2-CD1 4.11Å; C249-I281 VanDerWaalsContact SG-CG2 3.53Å; L255-I281 HydrophobicContact CD1-CD1 3.96Å; F277-I281 HydrophobicContact CD1-CD1 4.03Å; F277-I281 HydrophobicContact CD2-CD1 3.97Å; F277-I281 HydrophobicContact CD2-CG1 4.27Å; F277-I281 HydrophobicContact CE1-CD1 3.54Å; F277-I281 HydrophobicContact CE2-CD1 3.47Å; F277-I281 VanDerWaalsContact CE2-CD1 3.47Å; F277-I281 HydrophobicContact CE2-CG1 3.97Å; F277-I281 HydrophobicContact CG-CD1 4.27Å; F277-I281 HydrophobicContact CZ-CD1 3.28Å; F277-I281 HydrophobicContact CZ-CG1 4.27Å; F277-I281 WeakPolarHBondContact O-CG1 3.5Å; F277-I281 PolarHBondContact O-N 3.2Å; F278-I281 PolarHBondContact O-N 3.2Å; R279-I281 VanDerWaalsContact C-N 3.31Å; R279-I281 PolarHBondContact O-N 3.43Å; I281-E283 VanDerWaalsContact C-N 3.32Å; I281-E283 PolarHBondContact O-N 3.16Å; I281-K284 PolarHBondContact O-N 2.84Å; I281-K284 VanDerWaalsContact O-N 3.17Å; I281-L285 HydrophobicContact CG2-CD1 3.91Å; I281-L285 HydrophobicContact CG2-CG 4.27Å; I281-L285 WeakPolarHBondContact O-CG 3.32Å; I281-L285 PolarHBondContact O-N 2.86Å
282	L	97.5	Very high	95.5	Very high	9 Å²	9	38 Å²	38	5%	0.047	20%	0.199	C	C	.	.	H	α-helix	trans	-64.5	-36.1	-176.7	-67.7	175.8	0	0	0	112.2	F278 R279 K284 Q291 C294 L298 F327 L328 K331 L332	F278-L282 WeakPolarHBondContact O-CG 3.5Å; F278-L282 PolarHBondContact O-N 2.94Å; F278-L282 VanDerWaalsContact O-N 3.08Å; R279-L282 PolarHBondContact O-N 3.19Å; R279-L282 VanDerWaalsContact O-N 3.16Å; L282-K284 VanDerWaalsContact C-N 3.33Å; L282-Q291 VanDerWaalsContact O-CD 3.28Å; L282-Q291 WeakPolarHBondContact O-CG 3.4Å; L282-C294 HydrophobicContact CD2-CB 4.13Å; L282-L298 HydrophobicContact CD1-CD1 4.26Å; L282-L298 HydrophobicContact CD2-CD1 4.49Å; L282-L298 HydrophobicContact CG-CD1 4.43Å; L282-F327 HydrophobicContact CB-CE1 4.38Å; L282-L328 HydrophobicContact CD1-CD2 3.75Å; L282-K331 HydrophobicContact CD1-CB 4.29Å; L282-L332 HydrophobicContact CD1-CD2 4.16Å
283	E	96.6	Very high	95.2	Very high	73 Å²	73	39.3 Å²	39.3	34%	0.341	21%	0.208	S	C	.	.	H	α-helix	trans	-68.4	-30.8	176.1	-73	179.5	159.2	0	0	112.6	R7 R279 S280 I281 F327	R7-E283 IonicContact CZ-OE2 3.72Å; R7-E283 IonicContact NH1-OE2 2.66Å; R7-E283 PolarHBondContact NH1-OE2 3.28Å; R7-E283 IonicContact NH2-OE1 2.98Å; R7-E283 IonicContact NH2-OE2 2.7Å; R279-E283 HydrophobicContact CG-CG 4.17Å; R279-E283 IonicContact CZ-OE1 3.11Å; R279-E283 IonicContact NE-OE1 2.72Å; R279-E283 PolarHBondContact NE-OE1 3.48Å; R279-E283 IonicContact NE-OE2 3.64Å; R279-E283 IonicContact NH2-OE1 2.75Å; R279-E283 PolarHBondContact NH2-OE1 3.12Å; R279-E283 WeakPolarHBondContact O-CB 3.38Å; R279-E283 WeakPolarHBondContact O-CG 3.46Å; R279-E283 PolarHBondContact O-N 3.02Å; S280-E283 PolarHBondContact O-N 3.17Å; I281-E283 VanDerWaalsContact C-N 3.32Å; I281-E283 PolarHBondContact O-N 3.16Å; E283-F327 HydrophobicContact CG-CE1 4.23Å; E283-F327 HydrophobicContact CG-CE2 4.11Å; E283-F327 HydrophobicContact CG-CZ 3.56Å
284	K	96.4	Very high	95	Very high	66 Å²	66	39.3 Å²	39.3	29%	0.287	21%	0.208	S	C	.	.	H	α-helix	trans	-104.3	-9.6	-169.3	-67	-81.2	-174	157.9	0	114.4	E4 S239 F240 S242 V245 S280 I281 L282	E4-K284 IonicContact OE1-NZ 3.24Å; E4-K284 PolarHBondContact OE1-NZ 3.34Å; S239-K284 WeakPolarHBondContact O-CG 3.24Å; F240-K284 WeakPolarHBondContact O-CD 3.47Å; F240-K284 VanDerWaalsContact O-CE 3.25Å; F240-K284 WeakPolarHBondContact O-CE 3.36Å; F240-K284 PolarHBondContact O-NZ 3.42Å; S242-K284 VanDerWaalsContact CB-O 3.23Å; S242-K284 WeakPolarHBondContact CB-O 3.36Å; V245-K284 HydrophobicContact CG2-CB 3.88Å; S280-K284 WeakPolarHBondContact O-CB 3.02Å; S280-K284 WeakPolarHBondContact O-CG 3.23Å; S280-K284 PolarHBondContact O-N 3.45Å; I281-K284 PolarHBondContact O-N 2.84Å; I281-K284 VanDerWaalsContact O-N 3.17Å; L282-K284 VanDerWaalsContact C-N 3.33Å
285	L	96.4	Very high	94.8	Very high	8 Å²	8	39.4 Å²	39.4	4%	0.042	21%	0.209	C	C	.	.			trans	-60.7	129.7	172.5	-84.9	168.2	0	0	0	110.6	V245 C249 I281 T287 E290 Q291 C294	V245-L285 HydrophobicContact CG1-CD2 3.73Å; V245-L285 HydrophobicContact CG1-CG 3.69Å; C249-L285 HydrophobicContact CB-CD2 4.43Å; I281-L285 HydrophobicContact CG2-CD1 3.91Å; I281-L285 HydrophobicContact CG2-CG 4.27Å; I281-L285 WeakPolarHBondContact O-CG 3.32Å; I281-L285 PolarHBondContact O-N 2.86Å; L285-T287 PolarHBondContact O-N 3.29Å; L285-E290 HydrophobicContact CB-CB 4.46Å; L285-E290 HydrophobicContact CD2-CB 4.11Å; L285-Q291 HydrophobicContact CB-CG 3.55Å; L285-Q291 HydrophobicContact CD1-CG 4.42Å; L285-Q291 PolarHBondContact O-NE2 3.41Å; L285-C294 HydrophobicContact CD1-CB 3.44Å; L285-C294 VanDerWaalsContact CD1-CB 3.44Å
286	P	92.2	Very high	94.5	Very high	80 Å²	80	40.6 Å²	40.6	52%	0.519	22%	0.215	S	C	.	.	S	Bend	trans	-63.2	-34.9	-168.1	-24.3	32.7	0	0	0	115.4	E290	P286-E290 WeakPolarHBondContact CD-OE2 3.34Å
287	T	94.5	Very high	94.2	Very high	62 Å²	62	42.7 Å²	42.7	38%	0.38	22%	0.222	S	C	.	.	S	Bend	trans	-121.6	149.8	-174.9	69	0	0	0	0	112.5	L285 A289 E290 Q291	L285-T287 PolarHBondContact O-N 3.29Å; T287-A289 PolarHBondContact O-N 2.99Å; T287-E290 WeakPolarHBondContact CB-OE2 3.48Å; T287-E290 WeakPolarHBondContact CG2-OE2 3.32Å; T287-E290 PolarHBondContact N-OE2 3.46Å; T287-E290 VanDerWaalsContact N-OE2 3.08Å; T287-E290 PolarHBondContact O-N 2.96Å; T287-E290 WeakPolarHBondContact OG1-CB 3.23Å; T287-E290 VanDerWaalsContact OG1-CD 3.25Å; T287-E290 WeakPolarHBondContact OG1-CG 3.49Å; T287-E290 PolarHBondContact OG1-N 3.47Å; T287-E290 PolarHBondContact OG1-OE2 3.21Å; T287-Q291 WeakPolarHBondContact O-CG 3.38Å; T287-Q291 PolarHBondContact O-N 3.18Å
288	N	91.9	Very high	94	Very high	133 Å²	133	42.7 Å²	42.7	71%	0.711	22%	0.222	S	C	*	.	H	α-helix	trans	-59.6	-30.1	174.1	-68.3	-19.8	0	0	0	112.4	R292	N288-R292 WeakPolarHBondContact O-CB 3.41Å; N288-R292 PolarHBondContact O-N 3.4Å
289	A	90.1	Very high	93.7	Very high	74 Å²	74	44.1 Å²	44.1	61%	0.612	23%	0.231	S	C	*	.	H	α-helix	trans	-67.1	-46.4	176.9	0	0	0	0	0	111.3	T287 R292 D293	T287-A289 PolarHBondContact O-N 2.99Å; A289-R292 PolarHBondContact O-N 3Å; A289-D293 WeakPolarHBondContact O-CB 3.11Å; A289-D293 PolarHBondContact O-N 3.47Å
290	E	91.6	Very high	93.3	Very high	71 Å²	71	44.2 Å²	44.2	33%	0.332	23%	0.232	S	C	.	.	H	α-helix	trans	-65.9	-39.6	175.4	-68.1	163.3	136.9	0	0	111.7	L285 P286 T287 D293 C294	L285-E290 HydrophobicContact CB-CB 4.46Å; L285-E290 HydrophobicContact CD2-CB 4.11Å; P286-E290 WeakPolarHBondContact CD-OE2 3.34Å; T287-E290 WeakPolarHBondContact CB-OE2 3.48Å; T287-E290 WeakPolarHBondContact CG2-OE2 3.32Å; T287-E290 PolarHBondContact N-OE2 3.46Å; T287-E290 VanDerWaalsContact N-OE2 3.08Å; T287-E290 PolarHBondContact O-N 2.96Å; T287-E290 WeakPolarHBondContact OG1-CB 3.23Å; T287-E290 VanDerWaalsContact OG1-CD 3.25Å; T287-E290 WeakPolarHBondContact OG1-CG 3.49Å; T287-E290 PolarHBondContact OG1-N 3.47Å; T287-E290 PolarHBondContact OG1-OE2 3.21Å; E290-D293 PolarHBondContact O-N 3.36Å; E290-C294 VanDerWaalsContact O-CB 3.31Å; E290-C294 WeakPolarHBondContact O-CB 3.46Å; E290-C294 PolarHBondContact O-N 3.44Å
291	Q	93.3	Very high	93.1	Very high	50 Å²	50	44.3 Å²	44.3	23%	0.234	23%	0.233	C	C	.	.	H	α-helix	trans	-58.8	-47	174.2	-72.6	177.1	21.3	0	0	111.7	L282 L285 T287 G295	L282-Q291 VanDerWaalsContact O-CD 3.28Å; L282-Q291 WeakPolarHBondContact O-CG 3.4Å; L285-Q291 HydrophobicContact CB-CG 3.55Å; L285-Q291 HydrophobicContact CD1-CG 4.42Å; L285-Q291 PolarHBondContact O-NE2 3.41Å; T287-Q291 WeakPolarHBondContact O-CG 3.38Å; T287-Q291 PolarHBondContact O-N 3.18Å; Q291-G295 PolarHBondContact O-N 3.45Å
292	R	90.5	Very high	92.8	Very high	112 Å²	112	48.4 Å²	48.4	42%	0.423	25%	0.25	S	S	.	.	H	α-helix	trans	-64.1	-46	177.8	-174	177.7	-176.4	-171.2	1	111.3	N288 A289 G295 L296 S335 Q337	N288-R292 WeakPolarHBondContact O-CB 3.41Å; N288-R292 PolarHBondContact O-N 3.4Å; A289-R292 PolarHBondContact O-N 3Å; R292-G295 PolarHBondContact O-N 3.1Å; R292-L296 HydrophobicContact CG-CD1 4.44Å; R292-L296 WeakPolarHBondContact O-CG 3.26Å; R292-L296 PolarHBondContact O-N 3.19Å; R292-S335 PolarHBondContact NE-O 3.31Å; R292-Q337 PolarHBondContact NH2-O 3.06Å
293	D	89.3	Confident	92.8	Very high	50 Å²	50	48 Å²	48	27%	0.267	25%	0.248	S	C	.	.	H	α-helix	trans	-61.5	-44.5	178.7	-179.4	83.8	0	0	0	111.8	A289 E290 L296 R297	A289-D293 WeakPolarHBondContact O-CB 3.11Å; A289-D293 PolarHBondContact O-N 3.47Å; E290-D293 PolarHBondContact O-N 3.36Å; D293-L296 PolarHBondContact O-N 2.62Å; D293-R297 WeakPolarHBondContact O-CG 3.37Å; D293-R297 PolarHBondContact O-N 3.04Å; D293-R297 VanDerWaalsContact O-N 3.09Å; D293-R297 IonicContact OD2-CZ 3.1Å; D293-R297 IonicContact OD2-NE 3.89Å; D293-R297 PolarHBondContact OD2-NE 3.34Å; D293-R297 IonicContact OD2-NH2 3.06Å; D293-R297 PolarHBondContact OD2-NH2 3.18Å
294	C	93	Very high	92.7	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.014	24%	0.235	C	C	.	.	H	α-helix	trans	-62.6	-43.2	173.7	-175.9	0	0	0	0	112.1	L282 L285 E290 L296 R297 L298	L282-C294 HydrophobicContact CD2-CB 4.13Å; L285-C294 HydrophobicContact CD1-CB 3.44Å; L285-C294 VanDerWaalsContact CD1-CB 3.44Å; E290-C294 VanDerWaalsContact O-CB 3.31Å; E290-C294 WeakPolarHBondContact O-CB 3.46Å; E290-C294 PolarHBondContact O-N 3.44Å; C294-L296 VanDerWaalsContact C-N 3.34Å; C294-L296 PolarHBondContact O-N 2.88Å; C294-R297 PolarHBondContact O-N 3.49Å; C294-R297 VanDerWaalsContact O-N 3.16Å; C294-L298 PolarHBondContact O-N 3.21Å
295	G	93.6	Very high	92.6	Very high	2 Å²	2	48.7 Å²	48.7	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-56.5	-46.1	174.8	0	0	0	0	0	112.3	Q291 R292 R297 L298 V299 L332	Q291-G295 PolarHBondContact O-N 3.45Å; R292-G295 PolarHBondContact O-N 3.1Å; G295-R297 VanDerWaalsContact C-N 3.33Å; G295-R297 PolarHBondContact O-N 3.24Å; G295-L298 PolarHBondContact O-N 2.94Å; G295-V299 WeakPolarHBondContact O-CG2 3.45Å; G295-V299 PolarHBondContact O-N 3.46Å; G295-L332 WeakPolarHBondContact O-CD2 3.21Å
296	L	90.4	Very high	92.6	Very high	25 Å²	25	50.4 Å²	50.4	13%	0.131	26%	0.258	C	S	.	.	H	α-helix	trans	-60.5	-41.3	175.6	-70.6	172.8	0	0	0	112.3	R292 D293 C294 L298 V299 Q300 S335 V339	R292-L296 HydrophobicContact CG-CD1 4.44Å; R292-L296 WeakPolarHBondContact O-CG 3.26Å; R292-L296 PolarHBondContact O-N 3.19Å; D293-L296 PolarHBondContact O-N 2.62Å; C294-L296 VanDerWaalsContact C-N 3.34Å; C294-L296 PolarHBondContact O-N 2.88Å; L296-L298 PolarHBondContact O-N 3.31Å; L296-V299 WeakPolarHBondContact O-CB 3.33Å; L296-V299 PolarHBondContact O-N 3.12Å; L296-Q300 VanDerWaalsContact O-CG 3.32Å; L296-Q300 WeakPolarHBondContact O-CG 3.39Å; L296-Q300 PolarHBondContact O-N 2.91Å; L296-S335 WeakPolarHBondContact CD2-O 3.39Å; L296-V339 HydrophobicContact CD1-CG2 4.43Å; L296-V339 HydrophobicContact CD2-CG2 3.73Å
297	R	91.3	Very high	92.9	Very high	48 Å²	48	46.6 Å²	46.6	18%	0.181	23%	0.234	C	C	.	.	H	α-helix	trans	-62.2	-43.3	175.1	-63.7	-178.1	-143.3	175.9	7.8	111.9	C249 S252 D293 C294 G295 V299 Q300 Y301	C249-R297 PolarHBondContact O-NH1 3.01Å; S252-R297 PolarHBondContact OG-NH1 3.2Å; D293-R297 WeakPolarHBondContact O-CG 3.37Å; D293-R297 PolarHBondContact O-N 3.04Å; D293-R297 VanDerWaalsContact O-N 3.09Å; D293-R297 IonicContact OD2-CZ 3.1Å; D293-R297 IonicContact OD2-NE 3.89Å; D293-R297 PolarHBondContact OD2-NE 3.34Å; D293-R297 IonicContact OD2-NH2 3.06Å; D293-R297 PolarHBondContact OD2-NH2 3.18Å; C294-R297 PolarHBondContact O-N 3.49Å; C294-R297 VanDerWaalsContact O-N 3.16Å; G295-R297 VanDerWaalsContact C-N 3.33Å; G295-R297 PolarHBondContact O-N 3.24Å; R297-V299 VanDerWaalsContact C-N 3.3Å; R297-V299 PolarHBondContact O-N 3.4Å; R297-Q300 PolarHBondContact O-N 3.41Å; R297-Y301 HydrophobicContact CB-CE2 3.99Å; R297-Y301 WeakPolarHBondContact O-CD2 3.09Å; R297-Y301 PolarHBondContact O-N 2.81Å
298	L	94.6	Very high	92.9	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-62.5	-37.6	176.4	-69.1	173.5	0	0	0	112.1	L255 F278 L282 C294 G295 L296 Y301 K302 V303 L332	L255-L298 HydrophobicContact CD1-CD2 4.07Å; L255-L298 HydrophobicContact CD2-CD2 4.38Å; L255-L298 HydrophobicContact CG-CD2 4.23Å; F278-L298 HydrophobicContact CB-CD1 4.22Å; F278-L298 HydrophobicContact CD1-CD1 4.49Å; F278-L298 HydrophobicContact CD1-CD2 3.77Å; F278-L298 HydrophobicContact CE1-CD2 3.93Å; F278-L298 HydrophobicContact CG-CD1 4.43Å; F278-L298 HydrophobicContact CG-CD2 4.23Å; L282-L298 HydrophobicContact CD1-CD1 4.26Å; L282-L298 HydrophobicContact CD2-CD1 4.49Å; L282-L298 HydrophobicContact CG-CD1 4.43Å; C294-L298 PolarHBondContact O-N 3.21Å; G295-L298 PolarHBondContact O-N 2.94Å; L296-L298 PolarHBondContact O-N 3.31Å; L298-Y301 CarbonylContact O-C 3.59Å; L298-Y301 PolarHBondContact O-N 3.42Å; L298-K302 PolarHBondContact O-N 3.03Å; L298-V303 HydrophobicContact CB-CB 4.28Å; L298-V303 HydrophobicContact CB-CG2 4.3Å; L298-V303 HydrophobicContact CD2-CG2 4.13Å; L298-V303 VanDerWaalsContact O-CB 3.25Å; L298-V303 WeakPolarHBondContact O-CB 3.4Å; L298-V303 WeakPolarHBondContact O-CG2 3.41Å; L298-V303 PolarHBondContact O-N 3.29Å; L298-L332 HydrophobicContact CB-CD1 4.32Å; L298-L332 HydrophobicContact CB-CD2 3.89Å; L298-L332 HydrophobicContact CD1-CD2 4.08Å
299	V	92.1	Very high	93	Very high	30 Å²	30	45.8 Å²	45.8	18%	0.182	22%	0.223	C	C	.	.	H	α-helix	trans	-61.5	-47.3	172.4	171.7	0	0	0	0	110.8	G295 L296 R297 Y301 K302 L304 L332 I336	G295-V299 WeakPolarHBondContact O-CG2 3.45Å; G295-V299 PolarHBondContact O-N 3.46Å; L296-V299 WeakPolarHBondContact O-CB 3.33Å; L296-V299 PolarHBondContact O-N 3.12Å; R297-V299 VanDerWaalsContact C-N 3.3Å; R297-V299 PolarHBondContact O-N 3.4Å; V299-Y301 VanDerWaalsContact C-N 3.26Å; V299-Y301 PolarHBondContact O-N 3.16Å; V299-K302 WeakPolarHBondContact O-CA 3.28Å; V299-K302 PolarHBondContact O-N 2.87Å; V299-L304 HydrophobicContact CG2-CB 4.14Å; V299-L304 HydrophobicContact CG2-CD2 4.22Å; V299-L332 HydrophobicContact CG2-CB 3.95Å; V299-L332 HydrophobicContact CG2-CD2 4.38Å; V299-I336 HydrophobicContact CB-CD1 4.27Å; V299-I336 HydrophobicContact CB-CG1 4.41Å; V299-I336 HydrophobicContact CG1-CD1 3.58Å; V299-I336 HydrophobicContact CG1-CG1 3.97Å; V299-I336 HydrophobicContact CG2-CD1 3.68Å; V299-I336 HydrophobicContact CG2-CG1 3.86Å
300	Q	88.8	Confident	93.2	Very high	31 Å²	31	42.5 Å²	42.5	15%	0.145	20%	0.196	C	C	.	.	H	α-helix	trans	-62.6	-33.8	176.9	-68	-60.9	-18.9	0	0	112.2	L296 R297 K302 A347	L296-Q300 VanDerWaalsContact O-CG 3.32Å; L296-Q300 WeakPolarHBondContact O-CG 3.39Å; L296-Q300 PolarHBondContact O-N 2.91Å; R297-Q300 PolarHBondContact O-N 3.41Å; Q300-K302 PolarHBondContact O-N 2.94Å; Q300-K302 VanDerWaalsContact O-N 3.13Å; Q300-A347 HydrophobicContact CG-CB 4.5Å
301	Y	93	Very high	93.2	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.016	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	16.1	170	-52	-31.9	0	0	0	113.4	L255 A256 A259 L263 R297 L298 V299 V303	L255-Y301 HydrophobicContact CB-CE2 4.38Å; L255-Y301 HydrophobicContact CD2-CE2 4.2Å; L255-Y301 HydrophobicContact CG-CE2 4.08Å; A256-Y301 HydrophobicContact CB-CD1 4.21Å; A256-Y301 HydrophobicContact CB-CD2 4.3Å; A256-Y301 HydrophobicContact CB-CE1 3.79Å; A256-Y301 HydrophobicContact CB-CE2 3.9Å; A256-Y301 HydrophobicContact CB-CG 4.46Å; A259-Y301 HydrophobicContact CB-CD2 4.07Å; A259-Y301 HydrophobicContact CB-CG 4.17Å; L263-Y301 WeakPolarHBondContact CD1-O 3.48Å; R297-Y301 HydrophobicContact CB-CE2 3.99Å; R297-Y301 WeakPolarHBondContact O-CD2 3.09Å; R297-Y301 PolarHBondContact O-N 2.81Å; L298-Y301 CarbonylContact O-C 3.59Å; L298-Y301 PolarHBondContact O-N 3.42Å; V299-Y301 VanDerWaalsContact C-N 3.26Å; V299-Y301 PolarHBondContact O-N 3.16Å; Y301-V303 PolarHBondContact O-N 3.39Å; Y301-V303 VanDerWaalsContact O-N 3.1Å
302	K	92.6	Very high	93.1	Very high	85 Å²	85	48.2 Å²	48.2	37%	0.37	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	13.7	173.6	-56.6	174	179.9	173.2	0	115.1	L263 L298 V299 Q300 L304 K305 E306 E355	L263-K302 HydrophobicContact CD1-CB 4.13Å; L263-K302 HydrophobicContact CD2-CB 4.3Å; L298-K302 PolarHBondContact O-N 3.03Å; V299-K302 WeakPolarHBondContact O-CA 3.28Å; V299-K302 PolarHBondContact O-N 2.87Å; Q300-K302 PolarHBondContact O-N 2.94Å; Q300-K302 VanDerWaalsContact O-N 3.13Å; K302-L304 VanDerWaalsContact C-N 3.33Å; K302-L304 PolarHBondContact O-N 2.92Å; K302-K305 PolarHBondContact O-N 3.48Å; K302-E306 PolarHBondContact O-N 2.93Å; K302-E306 VanDerWaalsContact O-N 3.11Å; K302-E355 WeakPolarHBondContact CE-OE2 3.42Å; K302-E355 IonicContact NZ-OE2 3.64Å; K302-E355 PolarHBondContact NZ-OE2 3.36Å
303	V	96.9	Very high	93.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.6	-42.3	-179.8	176.9	0	0	0	0	110.9	A259 F262 F278 L298 Y301 K305 E306 L307 L332	A259-V303 HydrophobicContact CB-CG2 3.88Å; F262-V303 HydrophobicContact CD1-CG1 4.32Å; F262-V303 HydrophobicContact CD1-CG2 4.29Å; F262-V303 HydrophobicContact CE1-CB 4.37Å; F262-V303 HydrophobicContact CE1-CG1 3.87Å; F262-V303 HydrophobicContact CE1-CG2 4.5Å; F278-V303 HydrophobicContact CD2-CG1 4.09Å; F278-V303 HydrophobicContact CE2-CG1 4.17Å; F278-V303 HydrophobicContact CE2-CG2 4.26Å; L298-V303 HydrophobicContact CB-CB 4.28Å; L298-V303 HydrophobicContact CB-CG2 4.3Å; L298-V303 HydrophobicContact CD2-CG2 4.13Å; L298-V303 VanDerWaalsContact O-CB 3.25Å; L298-V303 WeakPolarHBondContact O-CB 3.4Å; L298-V303 WeakPolarHBondContact O-CG2 3.41Å; L298-V303 PolarHBondContact O-N 3.29Å; Y301-V303 PolarHBondContact O-N 3.39Å; Y301-V303 VanDerWaalsContact O-N 3.1Å; V303-K305 PolarHBondContact O-N 3.45Å; V303-E306 PolarHBondContact O-N 3.17Å; V303-L307 HydrophobicContact CG1-CD1 4Å; V303-L307 HydrophobicContact CG1-CG 4.39Å; V303-L307 VanDerWaalsContact O-CG 3.3Å; V303-L307 WeakPolarHBondContact O-CG 3.09Å; V303-L307 PolarHBondContact O-N 3.5Å; V303-L332 HydrophobicContact CB-CD1 4.32Å; V303-L332 HydrophobicContact CG1-CD1 4.01Å
304	L	95.4	Very high	93.3	Very high	13 Å²	13	52.1 Å²	52.1	7%	0.068	25%	0.249	C	C	.	.	H	α-helix	trans	-61.7	-43.8	177.8	179.6	59.8	0	0	0	112.3	V299 K302 E306 L307 E308 L332 I336	V299-L304 HydrophobicContact CG2-CB 4.14Å; V299-L304 HydrophobicContact CG2-CD2 4.22Å; K302-L304 VanDerWaalsContact C-N 3.33Å; K302-L304 PolarHBondContact O-N 2.92Å; L304-E306 VanDerWaalsContact C-N 3.32Å; L304-E306 PolarHBondContact O-N 3.08Å; L304-L307 WeakPolarHBondContact O-CB 3.45Å; L304-L307 PolarHBondContact O-N 2.93Å; L304-E308 WeakPolarHBondContact O-CG 3.33Å; L304-E308 PolarHBondContact O-N 3.35Å; L304-L332 HydrophobicContact CB-CB 4.31Å; L304-L332 HydrophobicContact CB-CD1 4.13Å; L304-L332 HydrophobicContact CD1-CB 4.07Å; L304-L332 HydrophobicContact CD2-CB 4.42Å; L304-I336 HydrophobicContact CD2-CD1 3.29Å
305	K	93.4	Very high	93.2	Very high	141 Å²	141	53.4 Å²	53.4	61%	0.613	25%	0.254	S	S	*	.	H	α-helix	trans	-61.7	-40.7	178.2	-176.1	-179.2	178.6	-178.4	0	111.9	K302 V303 E308 L309	K302-K305 PolarHBondContact O-N 3.48Å; V303-K305 PolarHBondContact O-N 3.45Å; K305-E308 PolarHBondContact O-N 3.48Å; K305-L309 PolarHBondContact O-N 2.82Å
306	E	96.9	Very high	92.9	Very high	44 Å²	44	57.4 Å²	57.4	21%	0.206	28%	0.282	C	S	.	.	H	α-helix	trans	-69.1	-37.3	176.2	-173.2	60.5	-152	0	0	111.7	F262 L263 K302 V303 L304 E308 L309 L310	F262-E306 HydrophobicContact CD1-CG 4.47Å; F262-E306 HydrophobicContact CE1-CB 3.7Å; F262-E306 HydrophobicContact CE1-CG 3.65Å; F262-E306 HydrophobicContact CZ-CB 4.08Å; F262-E306 HydrophobicContact CZ-CG 3.7Å; L263-E306 HydrophobicContact CD2-CB 3.55Å; L263-E306 HydrophobicContact CD2-CG 3.99Å; K302-E306 PolarHBondContact O-N 2.93Å; K302-E306 VanDerWaalsContact O-N 3.11Å; V303-E306 PolarHBondContact O-N 3.17Å; L304-E306 VanDerWaalsContact C-N 3.32Å; L304-E306 PolarHBondContact O-N 3.08Å; E306-E308 VanDerWaalsContact C-N 3.31Å; E306-E308 PolarHBondContact O-N 3.16Å; E306-L309 WeakPolarHBondContact O-CB 3.37Å; E306-L309 PolarHBondContact O-N 3.49Å; E306-L309 VanDerWaalsContact O-N 3.1Å; E306-L310 WeakPolarHBondContact O-CG 3.33Å; E306-L310 PolarHBondContact O-N 2.9Å
307	L	97	Very high	92.9	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-60	-38	173.2	-75.7	168	0	0	0	112.8	L275 V303 L304 L309 L310 N311 I325 L328 L332	L275-L307 HydrophobicContact CD1-CD2 4.18Å; L275-L307 HydrophobicContact CD2-CD2 3.69Å; L275-L307 HydrophobicContact CD2-CG 4.49Å; V303-L307 HydrophobicContact CG1-CD1 4Å; V303-L307 HydrophobicContact CG1-CG 4.39Å; V303-L307 VanDerWaalsContact O-CG 3.3Å; V303-L307 WeakPolarHBondContact O-CG 3.09Å; V303-L307 PolarHBondContact O-N 3.5Å; L304-L307 WeakPolarHBondContact O-CB 3.45Å; L304-L307 PolarHBondContact O-N 2.93Å; L307-L309 VanDerWaalsContact C-N 3.32Å; L307-L309 PolarHBondContact O-N 3.29Å; L307-L310 PolarHBondContact O-N 3.17Å; L307-N311 PolarHBondContact O-N 3.14Å; L307-N311 PolarHBondContact O-ND2 3.01Å; L307-I325 HydrophobicContact CD2-CB 4.31Å; L307-I325 HydrophobicContact CD2-CG1 4.11Å; L307-I325 HydrophobicContact CD2-CG2 4.16Å; L307-L328 HydrophobicContact CD1-CB 3.56Å; L307-L328 HydrophobicContact CD2-CB 4.41Å; L307-L332 HydrophobicContact CD1-CD1 3.86Å
308	E	94.7	Very high	92.9	Very high	100 Å²	100	60.1 Å²	60.1	47%	0.467	30%	0.296	S	S	.	.	H	α-helix	trans	-64.3	-35.6	173.8	-69.3	172.7	167.5	0	0	112.4	L304 K305 E306	L304-E308 WeakPolarHBondContact O-CG 3.33Å; L304-E308 PolarHBondContact O-N 3.35Å; K305-E308 PolarHBondContact O-N 3.48Å; E306-E308 VanDerWaalsContact C-N 3.31Å; E306-E308 PolarHBondContact O-N 3.16Å
309	L	94.4	Very high	92.8	Very high	78 Å²	78	64 Å²	64	41%	0.408	32%	0.321	S	S	.	.	H	α-helix	trans	-70.9	-38.9	173.3	-65	175.6	0	0	0	111.5	K305 E306 L307 N311 Q312	K305-L309 PolarHBondContact O-N 2.82Å; E306-L309 WeakPolarHBondContact O-CB 3.37Å; E306-L309 PolarHBondContact O-N 3.49Å; E306-L309 VanDerWaalsContact O-N 3.1Å; L307-L309 VanDerWaalsContact C-N 3.32Å; L307-L309 PolarHBondContact O-N 3.29Å; L309-N311 VanDerWaalsContact C-N 3.33Å; L309-Q312 WeakPolarHBondContact O-CB 3.41Å; L309-Q312 PolarHBondContact O-N 3.4Å
310	L	94.5	Very high	92.6	Very high	6 Å²	6	63.8 Å²	63.8	3%	0.031	32%	0.318	C	S	.	.	H	α-helix	trans	-64.8	-36	175.8	-69.5	176.7	0	0	0	112.1	F262 T271 L275 E306 L307 Q312 K313 F315 I325	F262-L310 HydrophobicContact CE2-CD1 3.87Å; F262-L310 HydrophobicContact CZ-CD1 3.82Å; T271-L310 HydrophobicContact CG2-CD1 3.82Å; T271-L310 HydrophobicContact CG2-CD2 4.48Å; L275-L310 HydrophobicContact CD1-CD1 4.36Å; E306-L310 WeakPolarHBondContact O-CG 3.33Å; E306-L310 PolarHBondContact O-N 2.9Å; L307-L310 PolarHBondContact O-N 3.17Å; L310-Q312 PolarHBondContact O-N 3.31Å; L310-Q312 VanDerWaalsContact O-N 3.13Å; L310-K313 HydrophobicContact CD2-CD 4.17Å; L310-K313 WeakPolarHBondContact O-CB 3.43Å; L310-K313 PolarHBondContact O-N 3.12Å; L310-F315 HydrophobicContact CB-CE2 4.19Å; L310-F315 HydrophobicContact CD2-CE2 4.1Å; L310-F315 HydrophobicContact CD2-CZ 4.06Å; L310-F315 WeakPolarHBondContact O-CE2 3.46Å; L310-I325 HydrophobicContact CB-CD1 4.19Å
311	N	91.8	Very high	92.8	Very high	87 Å²	87	62.4 Å²	62.4	47%	0.465	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-20.1	174.7	-84.6	-30.5	0	0	0	114.2	L307 L309 K313 I325 N329	L307-N311 PolarHBondContact O-N 3.14Å; L307-N311 PolarHBondContact O-ND2 3.01Å; L309-N311 VanDerWaalsContact C-N 3.33Å; N311-K313 VanDerWaalsContact C-N 3.29Å; N311-I325 WeakPolarHBondContact OD1-CG2 3.23Å; N311-N329 PolarHBondContact ND2-ND2 3.23Å
312	Q	92	Very high	92.9	Very high	154 Å²	154	64.7 Å²	64.7	72%	0.72	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-12	176.3	-59.7	172.5	19.5	0	0	112.4	L309 L310	L309-Q312 WeakPolarHBondContact O-CB 3.41Å; L309-Q312 PolarHBondContact O-N 3.4Å; L310-Q312 PolarHBondContact O-N 3.31Å; L310-Q312 VanDerWaalsContact O-N 3.13Å
313	K	92.3	Very high	93	Very high	121 Å²	121	66.2 Å²	66.2	53%	0.526	33%	0.334	S	S	.	.	S	Bend	trans	-94.3	153.2	178	-58.4	177.9	-175.2	170	0	110.2	L310 N311 F315	L310-K313 HydrophobicContact CD2-CD 4.17Å; L310-K313 WeakPolarHBondContact O-CB 3.43Å; L310-K313 PolarHBondContact O-N 3.12Å; N311-K313 VanDerWaalsContact C-N 3.29Å; K313-F315 HydrophobicContact CB-CD2 4.21Å; K313-F315 HydrophobicContact CB-CE2 3.66Å; K313-F315 HydrophobicContact CB-CZ 4.04Å; K313-F315 HydrophobicContact CD-CE2 4.23Å; K313-F315 HydrophobicContact CD-CZ 4.01Å
314	D	90.7	Very high	93	Very high	123 Å²	123	66.5 Å²	66.5	66%	0.658	34%	0.336	S	S	*	.			trans	-89.4	108.4	176.4	-178.1	12.2	0	0	0	111.1	S316	D314-S316 WeakPolarHBondContact OD1-CB 3.4Å; D314-S316 PolarHBondContact OD1-N 3.1Å; D314-S316 PolarHBondContact OD1-OG 3.45Å; D314-S316 PolarHBondContact OD2-OG 3.35Å
315	F	91	Very high	93	Very high	28 Å²	28	66 Å²	66	12%	0.123	33%	0.334	C	S	.	.			trans	-109.9	24.2	173.6	-65.1	-68.8	0	0	0	112.6	L310 K313 H317 D318 L321 T322 I325	L310-F315 HydrophobicContact CB-CE2 4.19Å; L310-F315 HydrophobicContact CD2-CE2 4.1Å; L310-F315 HydrophobicContact CD2-CZ 4.06Å; L310-F315 WeakPolarHBondContact O-CE2 3.46Å; K313-F315 HydrophobicContact CB-CD2 4.21Å; K313-F315 HydrophobicContact CB-CE2 3.66Å; K313-F315 HydrophobicContact CB-CZ 4.04Å; K313-F315 HydrophobicContact CD-CE2 4.23Å; K313-F315 HydrophobicContact CD-CZ 4.01Å; F315-H317 PolarHBondContact O-N 3.18Å; F315-D318 CarbonylContact O-C 3.58Å; F315-D318 PolarHBondContact O-N 2.94Å; F315-L321 HydrophobicContact CB-CD2 4.28Å; F315-L321 HydrophobicContact CD1-CD2 3.41Å; F315-L321 VanDerWaalsContact CD1-CD2 3.41Å; F315-L321 HydrophobicContact CD1-CG 4.44Å; F315-L321 HydrophobicContact CD2-CD2 4.39Å; F315-L321 HydrophobicContact CE1-CD2 3.7Å; F315-L321 HydrophobicContact CG-CD2 3.79Å; F315-L321 HydrophobicContact CG-CG 4.37Å; F315-L321 HydrophobicContact CZ-CD2 4.3Å; F315-T322 PolarHBondContact O-OG1 2.68Å; F315-I325 HydrophobicContact CD2-CD1 3.87Å; F315-I325 HydrophobicContact CE2-CD1 4.1Å
316	S	87.8	Confident	93.2	Very high	87 Å²	87	62.4 Å²	62.4	61%	0.608	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-23.2	-178.6	55.4	0	0	0	0	115.2	D314 D318	D314-S316 WeakPolarHBondContact OD1-CB 3.4Å; D314-S316 PolarHBondContact OD1-N 3.1Å; D314-S316 PolarHBondContact OD1-OG 3.45Å; D314-S316 PolarHBondContact OD2-OG 3.35Å; S316-D318 PolarHBondContact O-N 2.9Å
317	H	90.4	Very high	93.2	Very high	126 Å²	126	62 Å²	62	58%	0.583	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-12	174.5	63.9	-82.6	0	0	0	113.5	E268 F315	E268-H317 IonicContact OE1-NE2 3.85Å; E268-H317 IonicContact OE2-NE2 3.88Å; F315-H317 PolarHBondContact O-N 3.18Å
318	D	91.1	Very high	93.3	Very high	4 Å²	4	62 Å²	62	2%	0.021	32%	0.323	C	S	.	.			trans	-131.2	84.6	-174.9	-171.4	5.1	0	0	0	111.5	R272 F315 S316 E320 L321 T322	R272-D318 VanDerWaalsContact CD-OD2 3.24Å; R272-D318 WeakPolarHBondContact CD-OD2 3.42Å; R272-D318 VanDerWaalsContact CZ-CG 3.45Å; R272-D318 IonicContact CZ-OD1 3.7Å; R272-D318 IonicContact CZ-OD2 2.97Å; R272-D318 IonicContact NE-OD2 3.64Å; R272-D318 PolarHBondContact NE-OD2 2.93Å; R272-D318 IonicContact NH1-OD1 3.36Å; R272-D318 PolarHBondContact NH1-OD1 2.76Å; R272-D318 IonicContact NH1-OD2 3.07Å; R272-D318 PolarHBondContact NH1-OD2 3.46Å; R272-D318 IonicContact NH2-OD1 2.74Å; R272-D318 PolarHBondContact NH2-OD1 3.07Å; R272-D318 IonicContact NH2-OD2 2.76Å; F315-D318 CarbonylContact O-C 3.58Å; F315-D318 PolarHBondContact O-N 2.94Å; S316-D318 PolarHBondContact O-N 2.9Å; D318-E320 VanDerWaalsContact C-N 3.29Å; D318-E320 PolarHBondContact O-N 2.67Å; D318-L321 HydrophobicContact CB-CB 4.05Å; D318-L321 PolarHBondContact O-N 2.55Å; D318-L321 PolarHBondContact OD1-N 3.4Å; D318-L321 WeakPolarHBondContact OD2-CB 3.37Å; D318-T322 PolarHBondContact O-N 3.2Å; D318-T322 VanDerWaalsContact O-N 3.09Å; D318-T322 PolarHBondContact O-OG1 3.22Å
319	P	91.5	Very high	93.4	Very high	81 Å²	81	58.1 Å²	58.1	53%	0.526	31%	0.306	S	S	.	.	H	α-helix	trans	-60.9	-35.6	-178.8	-24.7	34.7	0	0	0	113.3	T322 E323	P319-T322 PolarHBondContact O-N 3.09Å; P319-E323 WeakPolarHBondContact O-CB 3.39Å; P319-E323 VanDerWaalsContact O-CG 3.3Å; P319-E323 WeakPolarHBondContact O-CG 3.35Å; P319-E323 PolarHBondContact O-N 2.85Å
320	E	89	Confident	93.5	Very high	27 Å²	27	60.7 Å²	60.7	13%	0.126	32%	0.316	C	S	.	.	H	α-helix	trans	-65.7	-46.5	-178.8	-176.1	178.9	-146.7	0	0	111	R272 D318 T322 E323 D324	R272-E320 IonicContact CZ-OE2 3.73Å; R272-E320 IonicContact NH2-OE2 3.44Å; R272-E320 PolarHBondContact NH2-OE2 3.38Å; D318-E320 VanDerWaalsContact C-N 3.29Å; D318-E320 PolarHBondContact O-N 2.67Å; E320-T322 VanDerWaalsContact C-N 3.33Å; E320-T322 PolarHBondContact O-N 3.23Å; E320-E323 PolarHBondContact O-N 3.45Å; E320-D324 PolarHBondContact O-N 3.11Å
321	L	92.6	Very high	93.5	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-61.2	-43.3	174.5	175.5	57.7	0	0	0	111.7	E268 R272 L275 F315 D318 E323 D324 I325	E268-L321 HydrophobicContact CG-CD2 4.16Å; R272-L321 HydrophobicContact CG-CB 4.19Å; R272-L321 HydrophobicContact CG-CD1 3.99Å; R272-L321 HydrophobicContact CG-CD2 4.04Å; R272-L321 HydrophobicContact CG-CG 4.31Å; L275-L321 HydrophobicContact CD1-CD1 3.55Å; F315-L321 HydrophobicContact CB-CD2 4.28Å; F315-L321 HydrophobicContact CD1-CD2 3.41Å; F315-L321 VanDerWaalsContact CD1-CD2 3.41Å; F315-L321 HydrophobicContact CD1-CG 4.44Å; F315-L321 HydrophobicContact CD2-CD2 4.39Å; F315-L321 HydrophobicContact CE1-CD2 3.7Å; F315-L321 HydrophobicContact CG-CD2 3.79Å; F315-L321 HydrophobicContact CG-CG 4.37Å; F315-L321 HydrophobicContact CZ-CD2 4.3Å; D318-L321 HydrophobicContact CB-CB 4.05Å; D318-L321 PolarHBondContact O-N 2.55Å; D318-L321 PolarHBondContact OD1-N 3.4Å; D318-L321 WeakPolarHBondContact OD2-CB 3.37Å; L321-E323 VanDerWaalsContact C-N 3.33Å; L321-E323 PolarHBondContact O-N 3.31Å; L321-D324 PolarHBondContact O-N 2.96Å; L321-I325 HydrophobicContact CD1-CD1 3.87Å; L321-I325 HydrophobicContact CD1-CG1 4.07Å; L321-I325 HydrophobicContact CG-CD1 3.87Å; L321-I325 HydrophobicContact CG-CG1 4.48Å; L321-I325 WeakPolarHBondContact O-CB 3.42Å; L321-I325 VanDerWaalsContact O-CG1 3.24Å; L321-I325 WeakPolarHBondContact O-CG1 3.33Å; L321-I325 PolarHBondContact O-N 3.26Å
322	T	94.2	Very high	93.7	Very high	53 Å²	53	60.6 Å²	60.6	33%	0.325	31%	0.311	S	S	.	.	H	α-helix	trans	-63.6	-39.7	179.1	-56.8	0	0	0	0	111.8	F315 D318 P319 E320 S326	F315-T322 PolarHBondContact O-OG1 2.68Å; D318-T322 PolarHBondContact O-N 3.2Å; D318-T322 VanDerWaalsContact O-N 3.09Å; D318-T322 PolarHBondContact O-OG1 3.22Å; P319-T322 PolarHBondContact O-N 3.09Å; E320-T322 VanDerWaalsContact C-N 3.33Å; E320-T322 PolarHBondContact O-N 3.23Å; T322-S326 WeakPolarHBondContact O-CB 3.45Å; T322-S326 PolarHBondContact O-N 2.74Å; T322-S326 PolarHBondContact O-OG 3.4Å
323	E	95.1	Very high	93.8	Very high	116 Å²	116	55.7 Å²	55.7	54%	0.542	29%	0.294	S	S	.	.	H	α-helix	trans	-64.4	-43.7	174.2	-77.6	178.9	-162	0	0	112	P319 E320 L321 S326 F327	P319-E323 WeakPolarHBondContact O-CB 3.39Å; P319-E323 VanDerWaalsContact O-CG 3.3Å; P319-E323 WeakPolarHBondContact O-CG 3.35Å; P319-E323 PolarHBondContact O-N 2.85Å; E320-E323 PolarHBondContact O-N 3.45Å; L321-E323 VanDerWaalsContact C-N 3.33Å; L321-E323 PolarHBondContact O-N 3.31Å; E323-S326 PolarHBondContact O-N 3.4Å; E323-F327 VanDerWaalsContact O-CB 3.3Å; E323-F327 WeakPolarHBondContact O-CB 3.4Å; E323-F327 PolarHBondContact O-N 2.9Å
324	D	96.7	Very high	93.8	Very high	6 Å²	6	52.2 Å²	52.2	3%	0.032	29%	0.288	C	S	.	.	H	α-helix	trans	-65.7	-42.8	178.4	-75.1	-9.9	0	0	0	111.8	L275 A276 R279 E320 L321 S326 F327 L328	L275-D324 HydrophobicContact CB-CB 4.17Å; A276-D324 WeakPolarHBondContact CA-OD2 3.46Å; R279-D324 WeakPolarHBondContact CD-OD1 3.21Å; R279-D324 IonicContact CZ-OD1 2.68Å; R279-D324 IonicContact NE-OD1 3.96Å; R279-D324 IonicContact NH1-OD1 3.22Å; R279-D324 PolarHBondContact NH1-OD1 3.4Å; E320-D324 PolarHBondContact O-N 3.11Å; L321-D324 PolarHBondContact O-N 2.96Å; D324-S326 VanDerWaalsContact C-N 3.34Å; D324-S326 PolarHBondContact O-N 2.81Å; D324-F327 PolarHBondContact O-N 3.27Å; D324-L328 WeakPolarHBondContact O-CB 3.17Å; D324-L328 VanDerWaalsContact O-CG 3.25Å; D324-L328 WeakPolarHBondContact O-CG 3.32Å; D324-L328 PolarHBondContact O-N 3Å
325	I	96.8	Very high	93.7	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-59.2	-47.3	173.6	-69.6	168.9	0	0	0	110.2	L275 L307 L310 N311 F315 L321 L328 N329	L275-I325 HydrophobicContact CD1-CD1 4.39Å; L275-I325 HydrophobicContact CD1-CG1 3.58Å; L307-I325 HydrophobicContact CD2-CB 4.31Å; L307-I325 HydrophobicContact CD2-CG1 4.11Å; L307-I325 HydrophobicContact CD2-CG2 4.16Å; L310-I325 HydrophobicContact CB-CD1 4.19Å; N311-I325 WeakPolarHBondContact OD1-CG2 3.23Å; F315-I325 HydrophobicContact CD2-CD1 3.87Å; F315-I325 HydrophobicContact CE2-CD1 4.1Å; L321-I325 HydrophobicContact CD1-CD1 3.87Å; L321-I325 HydrophobicContact CD1-CG1 4.07Å; L321-I325 HydrophobicContact CG-CD1 3.87Å; L321-I325 HydrophobicContact CG-CG1 4.48Å; L321-I325 WeakPolarHBondContact O-CB 3.42Å; L321-I325 VanDerWaalsContact O-CG1 3.24Å; L321-I325 WeakPolarHBondContact O-CG1 3.33Å; L321-I325 PolarHBondContact O-N 3.26Å; I325-L328 PolarHBondContact O-N 3.27Å; I325-N329 VanDerWaalsContact CG2-ND2 3.3Å; I325-N329 WeakPolarHBondContact CG2-ND2 3.33Å; I325-N329 WeakPolarHBondContact O-CB 3.49Å; I325-N329 PolarHBondContact O-N 2.95Å; I325-N329 PolarHBondContact O-ND2 3.47Å
326	S	96.3	Very high	93.4	Very high	64 Å²	64	48.6 Å²	48.6	45%	0.448	27%	0.269	S	S	.	.	H	α-helix	trans	-63.6	-47.7	-178.7	-60	0	0	0	0	111.6	T322 E323 D324 L328 N329 E330	T322-S326 WeakPolarHBondContact O-CB 3.45Å; T322-S326 PolarHBondContact O-N 2.74Å; T322-S326 PolarHBondContact O-OG 3.4Å; E323-S326 PolarHBondContact O-N 3.4Å; D324-S326 VanDerWaalsContact C-N 3.34Å; D324-S326 PolarHBondContact O-N 2.81Å; S326-L328 PolarHBondContact O-N 2.95Å; S326-N329 PolarHBondContact O-N 3.39Å; S326-E330 PolarHBondContact O-N 3.31Å; S326-E330 VanDerWaalsContact O-N 3.07Å
327	F	97.8	Very high	93.3	Very high	35 Å²	35	50.4 Å²	50.4	15%	0.154	27%	0.268	C	S	.	.	H	α-helix	trans	-58.4	-48	177.5	175	-88.4	0	0	0	111.7	R279 L282 E283 E323 D324 E330 K331	R279-F327 HydrophobicContact CB-CD1 4.06Å; R279-F327 HydrophobicContact CB-CE1 4.2Å; R279-F327 HydrophobicContact CG-CD1 3.64Å; R279-F327 HydrophobicContact CG-CE1 3.69Å; R279-F327 HydrophobicContact CG-CG 4.27Å; R279-F327 HydrophobicContact CG-CZ 4.33Å; L282-F327 HydrophobicContact CB-CE1 4.38Å; E283-F327 HydrophobicContact CG-CE1 4.23Å; E283-F327 HydrophobicContact CG-CE2 4.11Å; E283-F327 HydrophobicContact CG-CZ 3.56Å; E323-F327 VanDerWaalsContact O-CB 3.3Å; E323-F327 WeakPolarHBondContact O-CB 3.4Å; E323-F327 PolarHBondContact O-N 2.9Å; D324-F327 PolarHBondContact O-N 3.27Å; F327-E330 PolarHBondContact O-N 2.95Å; F327-K331 HydrophobicContact CD1-CG 4.22Å; F327-K331 HydrophobicContact CD2-CG 4.43Å; F327-K331 HydrophobicContact CE1-CG 3.81Å; F327-K331 HydrophobicContact CE2-CG 4.06Å; F327-K331 HydrophobicContact CZ-CD 4.43Å; F327-K331 HydrophobicContact CZ-CG 3.73Å; F327-K331 WeakPolarHBondContact O-CB 3.35Å; F327-K331 WeakPolarHBondContact O-CG 3.07Å; F327-K331 PolarHBondContact O-N 3.01Å
328	L	98.2	Very high	92.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-69.2	-40.7	-177.5	-71	169.7	0	0	0	111.8	L275 F278 R279 L282 L307 D324 I325 S326 E330 K331 L332	L275-L328 HydrophobicContact CB-CD1 3.96Å; L275-L328 HydrophobicContact CD2-CD1 3.58Å; L275-L328 HydrophobicContact CG-CD1 4.31Å; F278-L328 HydrophobicContact CB-CD1 4.15Å; F278-L328 HydrophobicContact CB-CD2 3.95Å; R279-L328 HydrophobicContact CB-CD2 4.38Å; L282-L328 HydrophobicContact CD1-CD2 3.75Å; L307-L328 HydrophobicContact CD1-CB 3.56Å; L307-L328 HydrophobicContact CD2-CB 4.41Å; D324-L328 WeakPolarHBondContact O-CB 3.17Å; D324-L328 VanDerWaalsContact O-CG 3.25Å; D324-L328 WeakPolarHBondContact O-CG 3.32Å; D324-L328 PolarHBondContact O-N 3Å; I325-L328 PolarHBondContact O-N 3.27Å; S326-L328 PolarHBondContact O-N 2.95Å; L328-E330 VanDerWaalsContact C-N 3.33Å; L328-E330 PolarHBondContact O-N 2.68Å; L328-K331 PolarHBondContact O-N 2.72Å; L328-L332 VanDerWaalsContact O-CB 3.23Å; L328-L332 WeakPolarHBondContact O-CB 3.27Å; L328-L332 WeakPolarHBondContact O-CG 3.45Å; L328-L332 PolarHBondContact O-N 3.01Å
329	N	96.9	Very high	92.1	Very high	20 Å²	20	53.3 Å²	53.3	11%	0.107	29%	0.289	C	S	.	.	H	α-helix	trans	-57.1	-47.2	173.6	-85.5	-66	0	0	0	111.6	N311 I325 S326 S333	N311-N329 PolarHBondContact ND2-ND2 3.23Å; I325-N329 VanDerWaalsContact CG2-ND2 3.3Å; I325-N329 WeakPolarHBondContact CG2-ND2 3.33Å; I325-N329 WeakPolarHBondContact O-CB 3.49Å; I325-N329 PolarHBondContact O-N 2.95Å; I325-N329 PolarHBondContact O-ND2 3.47Å; S326-N329 PolarHBondContact O-N 3.39Å; N329-S333 WeakPolarHBondContact O-CB 3.47Å; N329-S333 PolarHBondContact O-N 2.65Å; N329-S333 PolarHBondContact O-OG 3.31Å
330	E	96	Very high	91.9	Very high	132 Å²	132	51.9 Å²	51.9	62%	0.617	28%	0.281	S	S	*	.	H	α-helix	trans	-61.1	-51.9	178.3	-172.7	-167.3	142.9	0	0	111.2	S326 F327 L328 A334	S326-E330 PolarHBondContact O-N 3.31Å; S326-E330 VanDerWaalsContact O-N 3.07Å; F327-E330 PolarHBondContact O-N 2.95Å; L328-E330 VanDerWaalsContact C-N 3.33Å; L328-E330 PolarHBondContact O-N 2.68Å; E330-A334 VanDerWaalsContact O-CB 3.28Å; E330-A334 WeakPolarHBondContact O-CB 3.42Å; E330-A334 PolarHBondContact O-N 3.17Å
331	K	95.5	Very high	91.9	Very high	90 Å²	90	52.9 Å²	52.9	39%	0.391	29%	0.291	S	S	.	.	H	α-helix	trans	-66.8	-43.1	-175.8	-70.5	-62.6	-179.9	-170.4	0	113.2	L282 F327 L328 A334 S335	L282-K331 HydrophobicContact CD1-CB 4.29Å; F327-K331 HydrophobicContact CD1-CG 4.22Å; F327-K331 HydrophobicContact CD2-CG 4.43Å; F327-K331 HydrophobicContact CE1-CG 3.81Å; F327-K331 HydrophobicContact CE2-CG 4.06Å; F327-K331 HydrophobicContact CZ-CD 4.43Å; F327-K331 HydrophobicContact CZ-CG 3.73Å; F327-K331 WeakPolarHBondContact O-CB 3.35Å; F327-K331 WeakPolarHBondContact O-CG 3.07Å; F327-K331 PolarHBondContact O-N 3.01Å; L328-K331 PolarHBondContact O-N 2.72Å; K331-A334 PolarHBondContact O-N 2.9Å; K331-S335 PolarHBondContact O-N 2.88Å
332	L	95.7	Very high	91.8	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-70	-41.2	178.9	-63.8	-173.5	0	0	0	110.9	L282 G295 L298 V299 V303 L304 L307 L328 A334 S335 I336	L282-L332 HydrophobicContact CD1-CD2 4.16Å; G295-L332 WeakPolarHBondContact O-CD2 3.21Å; L298-L332 HydrophobicContact CB-CD1 4.32Å; L298-L332 HydrophobicContact CB-CD2 3.89Å; L298-L332 HydrophobicContact CD1-CD2 4.08Å; V299-L332 HydrophobicContact CG2-CB 3.95Å; V299-L332 HydrophobicContact CG2-CD2 4.38Å; V303-L332 HydrophobicContact CB-CD1 4.32Å; V303-L332 HydrophobicContact CG1-CD1 4.01Å; L304-L332 HydrophobicContact CB-CB 4.31Å; L304-L332 HydrophobicContact CB-CD1 4.13Å; L304-L332 HydrophobicContact CD1-CB 4.07Å; L304-L332 HydrophobicContact CD2-CB 4.42Å; L307-L332 HydrophobicContact CD1-CD1 3.86Å; L328-L332 VanDerWaalsContact O-CB 3.23Å; L328-L332 WeakPolarHBondContact O-CB 3.27Å; L328-L332 WeakPolarHBondContact O-CG 3.45Å; L328-L332 PolarHBondContact O-N 3.01Å; L332-A334 VanDerWaalsContact C-N 3.34Å; L332-A334 PolarHBondContact O-N 3.4Å; L332-S335 WeakPolarHBondContact O-CB 3.47Å; L332-S335 PolarHBondContact O-N 3.34Å; L332-S335 VanDerWaalsContact O-N 3.1Å; L332-S335 PolarHBondContact O-OG 3.37Å; L332-I336 WeakPolarHBondContact O-CG1 3.42Å; L332-I336 PolarHBondContact O-N 3.01Å
333	S	93.7	Very high	91.5	Very high	51 Å²	51	54.8 Å²	54.8	36%	0.357	30%	0.299	S	S	.	.	H	α-helix	trans	-61.2	-43	174.5	-60.2	0	0	0	0	112	N329 S335 I336 Q337	N329-S333 WeakPolarHBondContact O-CB 3.47Å; N329-S333 PolarHBondContact O-N 2.65Å; N329-S333 PolarHBondContact O-OG 3.31Å; S333-S335 VanDerWaalsContact C-N 3.26Å; S333-S335 PolarHBondContact O-N 3.46Å; S333-I336 PolarHBondContact O-N 3.23Å; S333-Q337 PolarHBondContact O-N 2.91Å
334	A	91.8	Very high	91.1	Very high	48 Å²	48	52.4 Å²	52.4	40%	0.397	29%	0.288	S	S	.	.	H	α-helix	trans	-63.7	-31	175.4	0	0	0	0	0	112.5	E330 K331 L332 I336 Q337	E330-A334 VanDerWaalsContact O-CB 3.28Å; E330-A334 WeakPolarHBondContact O-CB 3.42Å; E330-A334 PolarHBondContact O-N 3.17Å; K331-A334 PolarHBondContact O-N 2.9Å; L332-A334 VanDerWaalsContact C-N 3.34Å; L332-A334 PolarHBondContact O-N 3.4Å; A334-I336 VanDerWaalsContact C-N 3.28Å; A334-I336 PolarHBondContact O-N 3.1Å; A334-Q337 PolarHBondContact O-N 3.5Å
335	S	89	Confident	91	Very high	6 Å²	6	52.1 Å²	52.1	4%	0.042	29%	0.287	C	S	.	.	H	α-helix	trans	-66.5	-30.6	178.3	77.7	0	0	0	0	113.1	R292 L296 K331 L332 S333 V339	R292-S335 PolarHBondContact NE-O 3.31Å; L296-S335 WeakPolarHBondContact CD2-O 3.39Å; K331-S335 PolarHBondContact O-N 2.88Å; L332-S335 WeakPolarHBondContact O-CB 3.47Å; L332-S335 PolarHBondContact O-N 3.34Å; L332-S335 VanDerWaalsContact O-N 3.1Å; L332-S335 PolarHBondContact O-OG 3.37Å; S333-S335 VanDerWaalsContact C-N 3.26Å; S333-S335 PolarHBondContact O-N 3.46Å; S335-V339 WeakPolarHBondContact O-CG2 3.41Å
336	I	85.6	Confident	90.7	Very high	69 Å²	69	54 Å²	54	35%	0.354	30%	0.296	S	S	.	.	H	α-helix	trans	-81.7	-21.5	-179.7	-55.7	163.5	0	0	0	112	V299 L304 L332 S333 A334 D338 V339	V299-I336 HydrophobicContact CB-CD1 4.27Å; V299-I336 HydrophobicContact CB-CG1 4.41Å; V299-I336 HydrophobicContact CG1-CD1 3.58Å; V299-I336 HydrophobicContact CG1-CG1 3.97Å; V299-I336 HydrophobicContact CG2-CD1 3.68Å; V299-I336 HydrophobicContact CG2-CG1 3.86Å; L304-I336 HydrophobicContact CD2-CD1 3.29Å; L332-I336 WeakPolarHBondContact O-CG1 3.42Å; L332-I336 PolarHBondContact O-N 3.01Å; S333-I336 PolarHBondContact O-N 3.23Å; A334-I336 VanDerWaalsContact C-N 3.28Å; A334-I336 PolarHBondContact O-N 3.1Å; I336-D338 PolarHBondContact O-N 3.25Å; I336-V339 WeakPolarHBondContact O-CB 3.19Å; I336-V339 VanDerWaalsContact O-CG2 3.27Å; I336-V339 WeakPolarHBondContact O-CG2 3.32Å; I336-V339 PolarHBondContact O-N 3.3Å
337	Q	84.7	Confident	90.2	Very high	126 Å²	126	51.6 Å²	51.6	59%	0.589	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	135.2	176.3	-69.3	-177.5	-11.4	0	0	110.4	R292 S333 A334 V339	R292-Q337 PolarHBondContact NH2-O 3.06Å; S333-Q337 PolarHBondContact O-N 2.91Å; A334-Q337 PolarHBondContact O-N 3.5Å; Q337-V339 PolarHBondContact O-N 2.67Å; Q337-V339 VanDerWaalsContact O-N 3.16Å
338	D	76.1	Confident	89.9	Confident	155 Å²	155	50 Å²	50	83%	0.829	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	22.7	-179.4	-50.9	-45.8	0	0	0	115.3	I336 S340	I336-D338 PolarHBondContact O-N 3.25Å; D338-S340 PolarHBondContact O-N 3.12Å
339	V	80.9	Confident	89.6	Confident	35 Å²	35	50.1 Å²	50.1	21%	0.212	27%	0.274	C	S	.	.			trans	-75.5	121.8	169.8	176.3	0	0	0	0	108.5	L296 S335 I336 Q337 D343 E344	L296-V339 HydrophobicContact CD1-CG2 4.43Å; L296-V339 HydrophobicContact CD2-CG2 3.73Å; S335-V339 WeakPolarHBondContact O-CG2 3.41Å; I336-V339 WeakPolarHBondContact O-CB 3.19Å; I336-V339 VanDerWaalsContact O-CG2 3.27Å; I336-V339 WeakPolarHBondContact O-CG2 3.32Å; I336-V339 PolarHBondContact O-N 3.3Å; Q337-V339 PolarHBondContact O-N 2.67Å; Q337-V339 VanDerWaalsContact O-N 3.16Å; V339-D343 HydrophobicContact CG1-CB 3.82Å; V339-E344 HydrophobicContact CG1-CB 4.07Å
340	S	86.4	Confident	89.2	Confident	51 Å²	51	54.1 Å²	54.1	36%	0.357	29%	0.29	S	S	.	.			trans	-72.5	157.1	172.6	77.5	0	0	0	0	110.4	D338 L342 D343 E344	D338-S340 PolarHBondContact O-N 3.12Å; S340-L342 PolarHBondContact O-N 3.34Å; S340-L342 VanDerWaalsContact O-N 3.1Å; S340-L342 PolarHBondContact OG-N 3.12Å; S340-D343 WeakPolarHBondContact CB-OD2 3.35Å; S340-D343 PolarHBondContact N-OD2 3.32Å; S340-D343 PolarHBondContact O-N 3.18Å; S340-D343 PolarHBondContact OG-N 2.82Å; S340-D343 PolarHBondContact OG-OD2 2.97Å; S340-E344 PolarHBondContact O-N 3.23Å
341	S	89.3	Confident	88.7	Confident	49 Å²	49	48.5 Å²	48.5	34%	0.343	27%	0.265	S	S	.	.	H	α-helix	trans	-57.1	-28	175	59.2	0	0	0	0	112.7	Y345 V359 F365	S341-Y345 PolarHBondContact O-N 3.2Å; S341-V359 WeakPolarHBondContact O-CG1 3.37Å; S341-F365 WeakPolarHBondContact O-CE2 3.44Å
342	L	91	Very high	88.4	Confident	16 Å²	16	45.4 Å²	45.4	8%	0.084	26%	0.259	C	S	.	.	H	α-helix	trans	-74.5	-39	174.7	-176.6	65.5	0	0	0	112.2	S340 E344 Y345 M346 F365 N369 K372 F373 M380	S340-L342 PolarHBondContact O-N 3.34Å; S340-L342 VanDerWaalsContact O-N 3.1Å; S340-L342 PolarHBondContact OG-N 3.12Å; L342-E344 VanDerWaalsContact C-N 3.31Å; L342-Y345 WeakPolarHBondContact O-CB 3.29Å; L342-Y345 PolarHBondContact O-N 3.44Å; L342-M346 HydrophobicContact CG-CG 4.48Å; L342-M346 HydrophobicContact CG-SD 4.34Å; L342-M346 WeakPolarHBondContact O-CB 3.21Å; L342-M346 WeakPolarHBondContact O-CG 3.16Å; L342-M346 PolarHBondContact O-N 3.34Å; L342-F365 HydrophobicContact CD1-CZ 4.31Å; L342-N369 HydrophobicContact CD1-CB 4.12Å; L342-K372 HydrophobicContact CD2-CB 4.23Å; L342-K372 HydrophobicContact CD2-CD 3.31Å; L342-K372 HydrophobicContact CD2-CG 4.44Å; L342-F373 HydrophobicContact CD1-CE2 4.16Å; L342-M380 HydrophobicContact CD1-CE 4.42Å; L342-M380 HydrophobicContact CD1-SD 4.2Å
343	D	88.4	Confident	87.9	Confident	77 Å²	77	49.7 Å²	49.7	41%	0.412	28%	0.275	S	S	.	.	H	α-helix	trans	-66.6	-37.4	177.1	-61.5	-47.1	0	0	0	110.9	V339 S340 M346 A347	V339-D343 HydrophobicContact CG1-CB 3.82Å; S340-D343 WeakPolarHBondContact CB-OD2 3.35Å; S340-D343 PolarHBondContact N-OD2 3.32Å; S340-D343 PolarHBondContact O-N 3.18Å; S340-D343 PolarHBondContact OG-N 2.82Å; S340-D343 PolarHBondContact OG-OD2 2.97Å; D343-M346 PolarHBondContact O-N 2.85Å; D343-A347 WeakPolarHBondContact O-CB 3.28Å; D343-A347 PolarHBondContact O-N 3.48Å
344	E	87.4	Confident	87.9	Confident	67 Å²	67	47.3 Å²	47.3	31%	0.313	26%	0.259	S	S	.	.	H	α-helix	trans	-57.9	-52.6	171.4	-176.2	180	-174.9	0	0	110.6	V339 S340 L342 M346 A347 E348 V359	V339-E344 HydrophobicContact CG1-CB 4.07Å; S340-E344 PolarHBondContact O-N 3.23Å; L342-E344 VanDerWaalsContact C-N 3.31Å; E344-M346 VanDerWaalsContact C-N 3.33Å; E344-M346 PolarHBondContact O-N 3.48Å; E344-A347 PolarHBondContact O-N 2.82Å; E344-E348 WeakPolarHBondContact O-CB 3.31Å; E344-E348 PolarHBondContact O-N 3.32Å; E344-V359 HydrophobicContact CB-CG1 4.35Å; E344-V359 HydrophobicContact CG-CG1 4.35Å
345	Y	93.1	Very high	87.9	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-56.9	-44.6	175.4	-179.9	-85.1	0	0	0	112.4	S341 L342 E348 L349 V359 H360 F365 W366 F373 M380 L384 D403	S341-Y345 PolarHBondContact O-N 3.2Å; L342-Y345 WeakPolarHBondContact O-CB 3.29Å; L342-Y345 PolarHBondContact O-N 3.44Å; Y345-E348 PolarHBondContact O-N 3.36Å; Y345-L349 HydrophobicContact CE1-CB 4.38Å; Y345-L349 HydrophobicContact CE1-CD2 3.93Å; Y345-L349 VanDerWaalsContact O-CB 3.26Å; Y345-L349 WeakPolarHBondContact O-CB 3.41Å; Y345-L349 PolarHBondContact O-N 3.45Å; Y345-V359 HydrophobicContact CD2-CB 4.17Å; Y345-V359 HydrophobicContact CD2-CG2 3.91Å; Y345-V359 HydrophobicContact CG-CG2 4.46Å; Y345-H360 AromaticContact CD2-CE1 3.56Å; Y345-H360 AromaticContact CD2-ND1 3.97Å; Y345-H360 AromaticContact CE2-CE1 3.3Å; Y345-H360 WeakPolarHBondContact CE2-CE1 3.36Å; Y345-H360 AromaticContact CE2-ND1 3.58Å; Y345-F365 HydrophobicContact CD1-CZ 4.4Å; Y345-F365 AromaticContact CD2-CE1 3.98Å; Y345-F365 HydrophobicContact CD2-CE1 3.98Å; Y345-F365 AromaticContact CD2-CZ 3.77Å; Y345-F365 HydrophobicContact CD2-CZ 3.77Å; Y345-F365 HydrophobicContact CE2-CE1 4.45Å; Y345-F365 HydrophobicContact CG-CE1 4.33Å; Y345-F365 AromaticContact CG-CZ 3.68Å; Y345-F365 HydrophobicContact CG-CZ 3.68Å; Y345-W366 HydrophobicContact CE2-CH2 4.2Å; Y345-W366 HydrophobicContact CE2-CZ2 4.29Å; Y345-F373 HydrophobicContact CD1-CE1 4.32Å; Y345-F373 HydrophobicContact CD1-CE2 4.47Å; Y345-F373 AromaticContact CD1-CZ 3.73Å; Y345-F373 HydrophobicContact CD1-CZ 3.73Å; Y345-F373 HydrophobicContact CD2-CZ 4.43Å; Y345-F373 AromaticContact CE1-CE1 3.41Å; Y345-F373 HydrophobicContact CE1-CE1 3.41Å; Y345-F373 VanDerWaalsContact CE1-CE1 3.41Å; Y345-F373 HydrophobicContact CE1-CE2 4.3Å; Y345-F373 AromaticContact CE1-CZ 3.24Å; Y345-F373 HydrophobicContact CE1-CZ 3.24Å; Y345-F373 HydrophobicContact CE2-CE1 4.37Å; Y345-F373 AromaticContact CE2-CZ 3.99Å; Y345-F373 HydrophobicContact CE2-CZ 3.99Å; Y345-F373 HydrophobicContact CG-CZ 4.32Å; Y345-F373 AromaticContact CZ-CE1 3.48Å; Y345-F373 VanDerWaalsContact CZ-CE1 3.48Å; Y345-F373 AromaticContact CZ-CZ 3.43Å; Y345-F373 VanDerWaalsContact CZ-CZ 3.43Å; Y345-F373 WeakPolarHBondContact OH-CE1 3.48Å; Y345-M380 HydrophobicContact CD1-SD 4.39Å; Y345-M380 HydrophobicContact CE1-SD 4.4Å; Y345-L384 VanDerWaalsContact OH-CD1 3.25Å; Y345-L384 WeakPolarHBondContact OH-CD1 3.28Å; Y345-L384 WeakPolarHBondContact OH-CD2 3.24Å; Y345-L384 WeakPolarHBondContact OH-CG 3.23Å; Y345-D403 PolarHBondContact OH-OD2 2.83Å
346	M	91	Very high	88.1	Confident	43 Å²	43	51.4 Å²	51.4	21%	0.212	27%	0.265	C	S	.	.	H	α-helix	trans	-66.6	-38.2	179.6	-76	-176.8	67.7	0	0	112.4	L342 D343 E344 K350 M380	L342-M346 HydrophobicContact CG-CG 4.48Å; L342-M346 HydrophobicContact CG-SD 4.34Å; L342-M346 WeakPolarHBondContact O-CB 3.21Å; L342-M346 WeakPolarHBondContact O-CG 3.16Å; L342-M346 PolarHBondContact O-N 3.34Å; D343-M346 PolarHBondContact O-N 2.85Å; E344-M346 VanDerWaalsContact C-N 3.33Å; E344-M346 PolarHBondContact O-N 3.48Å; M346-K350 WeakPolarHBondContact O-CB 3.23Å; M346-K350 VanDerWaalsContact O-CG 3.24Å; M346-K350 WeakPolarHBondContact O-CG 3.35Å; M346-K350 PolarHBondContact O-N 3.45Å; M346-M380 HydrophobicContact CG-CG 4.33Å; M346-M380 HydrophobicContact CG-SD 3.7Å; M346-M380 HydrophobicContact SD-CE 4.44Å; M346-M380 HydrophobicContact SD-SD 4.18Å
347	A	86.2	Confident	88.3	Confident	13 Å²	13	48.6 Å²	48.6	11%	0.107	25%	0.252	C	S	.	.	H	α-helix	trans	-65.5	-44.9	175.7	0	0	0	0	0	110.8	Q300 D343 E344 K350 S351	Q300-A347 HydrophobicContact CG-CB 4.5Å; D343-A347 WeakPolarHBondContact O-CB 3.28Å; D343-A347 PolarHBondContact O-N 3.48Å; E344-A347 PolarHBondContact O-N 2.82Å; A347-K350 PolarHBondContact O-N 2.85Å; A347-S351 PolarHBondContact O-N 3.12Å
348	E	90.6	Very high	88.5	Confident	1 Å²	1	47 Å²	47	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-59.6	-47.8	175.6	-163	175.8	166.2	0	0	110.9	E344 Y345 K350 S351 G352 L354 E355 S357 H360	E344-E348 WeakPolarHBondContact O-CB 3.31Å; E344-E348 PolarHBondContact O-N 3.32Å; Y345-E348 PolarHBondContact O-N 3.36Å; E348-K350 PolarHBondContact O-N 3.43Å; E348-S351 WeakPolarHBondContact O-CB 3.44Å; E348-S351 PolarHBondContact O-N 2.96Å; E348-S351 PolarHBondContact O-OG 3.15Å; E348-G352 PolarHBondContact O-N 3.43Å; E348-L354 HydrophobicContact CB-CD2 4.34Å; E348-L354 HydrophobicContact CG-CD2 3.86Å; E348-E355 WeakPolarHBondContact OE1-CA 3.29Å; E348-E355 WeakPolarHBondContact OE1-CG 3.42Å; E348-E355 PolarHBondContact OE1-N 3.3Å; E348-E355 VanDerWaalsContact OE1-O 3.06Å; E348-S357 PolarHBondContact OE2-OG 3.49Å; E348-H360 IonicContact OE1-CD2 2.63Å; E348-H360 IonicContact OE1-NE2 3.17Å; E348-H360 PolarHBondContact OE1-NE2 3.48Å; E348-H360 VanDerWaalsContact OE1-NE2 3.1Å; E348-H360 IonicContact OE2-CD2 3.85Å; E348-H360 IonicContact OE2-NE2 3.42Å; E348-H360 PolarHBondContact OE2-NE2 2.93Å; E348-H360 VanDerWaalsContact OE2-NE2 3.11Å
349	L	92.6	Very high	89.3	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-61.8	-41.2	177.1	-175.3	64.5	0	0	0	113.1	Y345 S351 G352 L354 M380 M383 L384 L387	Y345-L349 HydrophobicContact CE1-CB 4.38Å; Y345-L349 HydrophobicContact CE1-CD2 3.93Å; Y345-L349 VanDerWaalsContact O-CB 3.26Å; Y345-L349 WeakPolarHBondContact O-CB 3.41Å; Y345-L349 PolarHBondContact O-N 3.45Å; L349-S351 VanDerWaalsContact C-N 3.3Å; L349-S351 PolarHBondContact O-N 3.27Å; L349-G352 PolarHBondContact O-N 3.08Å; L349-L354 HydrophobicContact CB-CD2 4.44Å; L349-L354 HydrophobicContact CD1-CD2 4.38Å; L349-M380 HydrophobicContact CD2-CB 3.96Å; L349-M380 HydrophobicContact CD2-CG 4.13Å; L349-M383 HydrophobicContact CD1-CB 4.16Å; L349-M383 HydrophobicContact CD2-CB 3.89Å; L349-M383 HydrophobicContact CD2-SD 4.44Å; L349-M383 HydrophobicContact CG-CB 3.92Å; L349-M383 HydrophobicContact CG-CE 4.17Å; L349-L384 HydrophobicContact CD1-CD2 3.7Å; L349-L384 HydrophobicContact CD1-CG 3.82Å; L349-L384 HydrophobicContact CD2-CG 4.49Å; L349-L387 HydrophobicContact CD1-CD1 3.7Å
350	K	88.7	Confident	90	Very high	104 Å²	104	38.1 Å²	38.1	45%	0.452	20%	0.204	S	C	.	.	H	α-helix	trans	-68.3	-29.2	176.7	-77.5	173.6	178.5	-179.8	0	113.2	M346 A347 E348 G352 M383	M346-K350 WeakPolarHBondContact O-CB 3.23Å; M346-K350 VanDerWaalsContact O-CG 3.24Å; M346-K350 WeakPolarHBondContact O-CG 3.35Å; M346-K350 PolarHBondContact O-N 3.45Å; A347-K350 PolarHBondContact O-N 2.85Å; E348-K350 PolarHBondContact O-N 3.43Å; K350-G352 PolarHBondContact O-N 2.64Å; K350-M383 HydrophobicContact CB-CE 4.19Å; K350-M383 HydrophobicContact CG-CE 3.68Å; K350-M383 HydrophobicContact CG-SD 4.39Å
351	S	85.7	Confident	90.3	Very high	14 Å²	14	42 Å²	42	10%	0.098	22%	0.215	C	C	.	.	H	α-helix	trans	-69	-26.2	175.4	85.9	0	0	0	0	112.2	A347 E348 L349 R353	A347-S351 PolarHBondContact O-N 3.12Å; E348-S351 WeakPolarHBondContact O-CB 3.44Å; E348-S351 PolarHBondContact O-N 2.96Å; E348-S351 PolarHBondContact O-OG 3.15Å; L349-S351 VanDerWaalsContact C-N 3.3Å; L349-S351 PolarHBondContact O-N 3.27Å; S351-R353 PolarHBondContact O-N 3.42Å; S351-R353 PolarHBondContact OG-N 2.81Å; S351-R353 VanDerWaalsContact OG-N 3.09Å
352	G	88.2	Confident	90.4	Very high	25 Å²	25	41.9 Å²	41.9	26%	0.258	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	10.2	-174.1	0	0	0	0	0	114.3	E348 L349 K350 T396	E348-G352 PolarHBondContact O-N 3.43Å; L349-G352 PolarHBondContact O-N 3.08Å; K350-G352 PolarHBondContact O-N 2.64Å; G352-T396 WeakPolarHBondContact O-CG2 3.41Å
353	R	86.6	Confident	90.5	Very high	89 Å²	89	46.5 Å²	46.5	34%	0.336	23%	0.234	S	C	.	.			trans	-118.2	76.8	177.8	-65.6	-175.8	176	-161.8	-4.4	109.7	A256 D260 S351	A256-R353 VanDerWaalsContact CB-CZ 3.49Å; D260-R353 IonicContact OD1-CZ 2.67Å; D260-R353 IonicContact OD1-NH1 2.55Å; D260-R353 PolarHBondContact OD1-NH1 2.89Å; D260-R353 IonicContact OD1-NH2 3.16Å; D260-R353 IonicContact OD2-CZ 3.37Å; D260-R353 VanDerWaalsContact OD2-CZ 3.24Å; D260-R353 IonicContact OD2-NH1 3.54Å; D260-R353 PolarHBondContact OD2-NH1 3Å; D260-R353 IonicContact OD2-NH2 3.2Å; D260-R353 PolarHBondContact OD2-NH2 2.85Å; S351-R353 PolarHBondContact O-N 3.42Å; S351-R353 PolarHBondContact OG-N 2.81Å; S351-R353 VanDerWaalsContact OG-N 3.09Å
354	L	93	Very high	90.6	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	24%	0.243	C	C	.	.			trans	-73.2	138.7	178.9	-58.5	-179.6	0	0	0	110.3	E348 L349 L384 L387 T396 V399 A400	E348-L354 HydrophobicContact CB-CD2 4.34Å; E348-L354 HydrophobicContact CG-CD2 3.86Å; L349-L354 HydrophobicContact CB-CD2 4.44Å; L349-L354 HydrophobicContact CD1-CD2 4.38Å; L354-L384 HydrophobicContact CD1-CD2 4.11Å; L354-L387 HydrophobicContact CD1-CD1 3.88Å; L354-L387 HydrophobicContact CG-CD1 4.04Å; L354-T396 HydrophobicContact CB-CG2 4.16Å; L354-T396 HydrophobicContact CG-CG2 4.19Å; L354-T396 PolarHBondContact N-OG1 2.93Å; L354-V399 HydrophobicContact CB-CB 3.76Å; L354-V399 HydrophobicContact CB-CG1 3.76Å; L354-V399 HydrophobicContact CB-CG2 4.37Å; L354-V399 HydrophobicContact CD1-CB 4.25Å; L354-V399 HydrophobicContact CD1-CG1 4.05Å; L354-V399 HydrophobicContact CG-CG1 4.49Å; L354-A400 HydrophobicContact CD1-CB 3.8Å
355	E	90.9	Very high	91	Very high	58 Å²	58	46.5 Å²	46.5	27%	0.271	23%	0.23	S	C	.	.			trans	-131.3	166.5	175.3	67.3	171.1	-162	0	0	112	K302 E348 S357 H360	K302-E355 WeakPolarHBondContact CE-OE2 3.42Å; K302-E355 IonicContact NZ-OE2 3.64Å; K302-E355 PolarHBondContact NZ-OE2 3.36Å; E348-E355 WeakPolarHBondContact OE1-CA 3.29Å; E348-E355 WeakPolarHBondContact OE1-CG 3.42Å; E348-E355 PolarHBondContact OE1-N 3.3Å; E348-E355 VanDerWaalsContact OE1-O 3.06Å; E355-S357 VanDerWaalsContact C-N 3.26Å; E355-S357 PolarHBondContact O-N 2.96Å; E355-H360 PolarHBondContact O-CD2 3.01Å
356	W	93.8	Very high	91.2	Very high	81 Å²	81	46.5 Å²	46.5	31%	0.307	23%	0.23	S	C	.	.			trans	-80.1	71.4	-175.7	-79.2	121.2	0	0	0	112.4	H360 K361 L395 V399 H402	W356-H360 HydrophobicContact CE3-CB 4.17Å; W356-H360 HydrophobicContact CZ3-CB 4.32Å; W356-K361 HydrophobicContact CE3-CG 4.19Å; W356-K361 WeakPolarHBondContact O-CE 3.26Å; W356-K361 PolarHBondContact O-NZ 3.4Å; W356-L395 VanDerWaalsContact CD1-CD1 3.49Å; W356-L395 HydrophobicContact CG-CD1 4.48Å; W356-V399 HydrophobicContact CD2-CG2 3.7Å; W356-V399 HydrophobicContact CE3-CG2 4.07Å; W356-V399 HydrophobicContact CG-CG2 4.08Å; W356-V399 HydrophobicContact CH2-CG2 4.38Å; W356-V399 HydrophobicContact CZ2-CG2 4.01Å; W356-V399 HydrophobicContact CZ3-CG2 4.39Å; W356-H402 HydrophobicContact CH2-CB 3.56Å; W356-H402 AromaticContact CH2-CD2 3.79Å; W356-H402 AromaticContact CH2-CG 3.48Å; W356-H402 VanDerWaalsContact CH2-CG 3.48Å; W356-H402 AromaticContact CH2-ND1 3.94Å; W356-H402 HydrophobicContact CZ3-CB 4.21Å; W356-H402 AromaticContact CZ3-CG 3.76Å; W356-H402 AromaticContact CZ3-ND1 3.72Å
357	S	89.9	Confident	91.3	Very high	11 Å²	11	53.6 Å²	53.6	8%	0.077	26%	0.256	C	S	.	.			trans	-94.4	171	178.8	73.8	0	0	0	0	112.6	E348 E355 V359 H360 K361	E348-S357 PolarHBondContact OE2-OG 3.49Å; E355-S357 VanDerWaalsContact C-N 3.26Å; E355-S357 PolarHBondContact O-N 2.96Å; S357-V359 PolarHBondContact O-N 3.47Å; S357-V359 WeakPolarHBondContact OG-CG2 3.34Å; S357-H360 PolarHBondContact O-N 2.89Å; S357-H360 PolarHBondContact OG-CD2 2.94Å; S357-K361 PolarHBondContact O-N 3.49Å
358	P	89	Confident	91.6	Very high	93 Å²	93	58.1 Å²	58.1	60%	0.604	27%	0.274	S	S	*	.	H	α-helix	trans	-58	-29.7	178.7	-26.9	36.7	0	0	0	114.4	H360 K361 S362	P358-H360 PolarHBondContact O-N 3.5Å; P358-K361 PolarHBondContact O-N 3.45Å; P358-S362 WeakPolarHBondContact O-CB 3.38Å; P358-S362 PolarHBondContact O-N 2.99Å
359	V	93	Very high	91.9	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.018	28%	0.276	C	S	.	.	H	α-helix	trans	-68.3	-25.1	179.7	-60.7	0	0	0	0	112.4	S341 E344 Y345 S357 F365	S341-V359 WeakPolarHBondContact O-CG1 3.37Å; E344-V359 HydrophobicContact CB-CG1 4.35Å; E344-V359 HydrophobicContact CG-CG1 4.35Å; Y345-V359 HydrophobicContact CD2-CB 4.17Å; Y345-V359 HydrophobicContact CD2-CG2 3.91Å; Y345-V359 HydrophobicContact CG-CG2 4.46Å; S357-V359 PolarHBondContact O-N 3.47Å; S357-V359 WeakPolarHBondContact OG-CG2 3.34Å; V359-F365 HydrophobicContact CB-CD2 4.09Å; V359-F365 HydrophobicContact CB-CE1 4.5Å; V359-F365 HydrophobicContact CB-CE2 4Å; V359-F365 HydrophobicContact CB-CG 4.37Å; V359-F365 HydrophobicContact CB-CZ 4.21Å; V359-F365 HydrophobicContact CG1-CD2 4.12Å; V359-F365 HydrophobicContact CG1-CE2 4.11Å; V359-F365 WeakPolarHBondContact O-CD1 3.4Å; V359-F365 VanDerWaalsContact O-CE1 3.27Å; V359-F365 WeakPolarHBondContact O-CE1 3.49Å; V359-F365 WeakPolarHBondContact O-CG 3.36Å
360	H	95.4	Very high	92	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-87.6	-34.1	175.1	-60.6	-66.6	0	0	0	112.5	Y345 E348 E355 W356 S357 P358 W366 V399 H402 D403	Y345-H360 AromaticContact CD2-CE1 3.56Å; Y345-H360 AromaticContact CD2-ND1 3.97Å; Y345-H360 AromaticContact CE2-CE1 3.3Å; Y345-H360 WeakPolarHBondContact CE2-CE1 3.36Å; Y345-H360 AromaticContact CE2-ND1 3.58Å; E348-H360 IonicContact OE1-CD2 2.63Å; E348-H360 IonicContact OE1-NE2 3.17Å; E348-H360 PolarHBondContact OE1-NE2 3.48Å; E348-H360 VanDerWaalsContact OE1-NE2 3.1Å; E348-H360 IonicContact OE2-CD2 3.85Å; E348-H360 IonicContact OE2-NE2 3.42Å; E348-H360 PolarHBondContact OE2-NE2 2.93Å; E348-H360 VanDerWaalsContact OE2-NE2 3.11Å; E355-H360 PolarHBondContact O-CD2 3.01Å; W356-H360 HydrophobicContact CE3-CB 4.17Å; W356-H360 HydrophobicContact CZ3-CB 4.32Å; S357-H360 PolarHBondContact O-N 2.89Å; S357-H360 PolarHBondContact OG-CD2 2.94Å; P358-H360 PolarHBondContact O-N 3.5Å; H360-W366 PolarHBondContact O-NE1 3.19Å; H360-V399 HydrophobicContact CB-CG1 4.04Å; H360-V399 VanDerWaalsContact CG-CG1 3.46Å; H360-V399 WeakPolarHBondContact ND1-CG1 3.5Å; H360-H402 PolarHBondContact O-CE1 2.92Å; H360-H402 VanDerWaalsContact O-CE1 3.23Å; H360-D403 IonicContact CE1-OD2 3.18Å; H360-D403 PolarHBondContact CE1-OD2 3.1Å; H360-D403 IonicContact CG-OD1 3.26Å; H360-D403 IonicContact CG-OD2 2.99Å; H360-D403 VanDerWaalsContact ND1-CG 3.26Å; H360-D403 IonicContact ND1-OD1 3.88Å; H360-D403 PolarHBondContact ND1-OD1 3.35Å; H360-D403 IonicContact ND1-OD2 3.85Å; H360-D403 PolarHBondContact ND1-OD2 3.16Å
361	K	92.1	Very high	92.3	Very high	133 Å²	133	57.6 Å²	57.6	58%	0.578	28%	0.28	S	S	*	.	H	α-helix	trans	-90.6	-27.7	-172.7	-68.9	173	172.6	157	0	114.8	W356 S357 P358 E363	W356-K361 HydrophobicContact CE3-CG 4.19Å; W356-K361 WeakPolarHBondContact O-CE 3.26Å; W356-K361 PolarHBondContact O-NZ 3.4Å; S357-K361 PolarHBondContact O-N 3.49Å; P358-K361 PolarHBondContact O-N 3.45Å; K361-E363 PolarHBondContact O-N 2.91Å
362	S	92.1	Very high	92.7	Very high	46 Å²	46	61 Å²	61	32%	0.322	29%	0.293	S	S	.	.			trans	-79.7	115.5	-171.3	179.1	0	0	0	0	111.4	P358 K364 F365 W366	P358-S362 WeakPolarHBondContact O-CB 3.38Å; P358-S362 PolarHBondContact O-N 2.99Å; S362-K364 PolarHBondContact O-N 2.85Å; S362-K364 PolarHBondContact OG-N 3.23Å; S362-F365 WeakPolarHBondContact O-CB 3.23Å; S362-F365 PolarHBondContact O-N 3.49Å; S362-F365 VanDerWaalsContact O-N 3.08Å; S362-F365 PolarHBondContact OG-N 2.94Å; S362-W366 PolarHBondContact O-N 2.84Å
363	E	92.1	Very high	93.1	Very high	112 Å²	112	59.8 Å²	59.8	52%	0.523	28%	0.281	S	S	.	.	H	α-helix	trans	-58.3	-34.6	171.9	-171.3	170.3	-177.3	0	0	111.8	K361 F365 W366 Y367 R409 H410	K361-E363 PolarHBondContact O-N 2.91Å; E363-F365 VanDerWaalsContact C-N 3.32Å; E363-F365 PolarHBondContact O-N 3.07Å; E363-W366 PolarHBondContact O-N 3.44Å; E363-Y367 PolarHBondContact O-N 2.86Å; E363-R409 IonicContact OE1-CZ 2.77Å; E363-R409 IonicContact OE1-NH2 3.47Å; E363-R409 PolarHBondContact OE1-NH2 3.29Å; E363-R409 IonicContact OE2-NH2 2.67Å; E363-R409 PolarHBondContact OE2-NH2 3.5Å; E363-H410 WeakPolarHBondContact CG-NE2 3.38Å
364	K	92.2	Very high	93.5	Very high	137 Å²	137	57 Å²	57	60%	0.596	27%	0.273	S	S	*	.	H	α-helix	trans	-60.1	-41.7	175.6	-177.3	-178.3	174.4	-175.2	0	111.9	S362 W366 Y367 E368	S362-K364 PolarHBondContact O-N 2.85Å; S362-K364 PolarHBondContact OG-N 3.23Å; K364-W366 VanDerWaalsContact C-N 3.33Å; K364-W366 PolarHBondContact O-N 3.24Å; K364-Y367 PolarHBondContact O-N 3.32Å; K364-E368 WeakPolarHBondContact CE-OE1 3.46Å; K364-E368 HydrophobicContact CG-CG 4.46Å; K364-E368 IonicContact NZ-OE1 2.68Å; K364-E368 WeakPolarHBondContact O-CB 3.38Å; K364-E368 WeakPolarHBondContact O-CG 3.37Å; K364-E368 PolarHBondContact O-N 3.12Å
365	F	95.8	Very high	93.5	Very high	7 Å²	7	60.9 Å²	60.9	3%	0.031	29%	0.294	C	S	.	.	H	α-helix	trans	-58.4	-48.4	177.7	166.9	-91.5	0	0	0	110.9	S341 L342 Y345 V359 S362 E363 E368 N369 F373	S341-F365 WeakPolarHBondContact O-CE2 3.44Å; L342-F365 HydrophobicContact CD1-CZ 4.31Å; Y345-F365 HydrophobicContact CD1-CZ 4.4Å; Y345-F365 AromaticContact CD2-CE1 3.98Å; Y345-F365 HydrophobicContact CD2-CE1 3.98Å; Y345-F365 AromaticContact CD2-CZ 3.77Å; Y345-F365 HydrophobicContact CD2-CZ 3.77Å; Y345-F365 HydrophobicContact CE2-CE1 4.45Å; Y345-F365 HydrophobicContact CG-CE1 4.33Å; Y345-F365 AromaticContact CG-CZ 3.68Å; Y345-F365 HydrophobicContact CG-CZ 3.68Å; V359-F365 HydrophobicContact CB-CD2 4.09Å; V359-F365 HydrophobicContact CB-CE1 4.5Å; V359-F365 HydrophobicContact CB-CE2 4Å; V359-F365 HydrophobicContact CB-CG 4.37Å; V359-F365 HydrophobicContact CB-CZ 4.21Å; V359-F365 HydrophobicContact CG1-CD2 4.12Å; V359-F365 HydrophobicContact CG1-CE2 4.11Å; V359-F365 WeakPolarHBondContact O-CD1 3.4Å; V359-F365 VanDerWaalsContact O-CE1 3.27Å; V359-F365 WeakPolarHBondContact O-CE1 3.49Å; V359-F365 WeakPolarHBondContact O-CG 3.36Å; S362-F365 WeakPolarHBondContact O-CB 3.23Å; S362-F365 PolarHBondContact O-N 3.49Å; S362-F365 VanDerWaalsContact O-N 3.08Å; S362-F365 PolarHBondContact OG-N 2.94Å; E363-F365 VanDerWaalsContact C-N 3.32Å; E363-F365 PolarHBondContact O-N 3.07Å; F365-E368 PolarHBondContact O-N 3.23Å; F365-N369 HydrophobicContact CE2-CB 4.28Å; F365-N369 HydrophobicContact CZ-CB 4.3Å; F365-N369 WeakPolarHBondContact O-CB 3.38Å; F365-N369 PolarHBondContact O-N 2.98Å; F365-N369 PolarHBondContact O-ND2 3.23Å; F365-F373 HydrophobicContact CE1-CE2 4.28Å; F365-F373 HydrophobicContact CE1-CZ 4.19Å; F365-F373 HydrophobicContact CZ-CE2 4.25Å; F365-F373 HydrophobicContact CZ-CZ 4.32Å
366	W	96.2	Very high	93.7	Very high	1 Å²	1	64 Å²	64	0%	0.004	31%	0.313	C	S	.	.	H	α-helix	trans	-66.9	-41.5	-178.7	-70.8	104.5	0	0	0	112.2	Y345 H360 S362 E363 K364 E368 N369 A370 F373 D403 E406 F407 H410	Y345-W366 HydrophobicContact CE2-CH2 4.2Å; Y345-W366 HydrophobicContact CE2-CZ2 4.29Å; H360-W366 PolarHBondContact O-NE1 3.19Å; S362-W366 PolarHBondContact O-N 2.84Å; E363-W366 PolarHBondContact O-N 3.44Å; K364-W366 VanDerWaalsContact C-N 3.33Å; K364-W366 PolarHBondContact O-N 3.24Å; W366-E368 VanDerWaalsContact C-N 3.29Å; W366-E368 PolarHBondContact O-N 2.91Å; W366-N369 PolarHBondContact O-N 3.47Å; W366-A370 WeakPolarHBondContact O-CB 3.35Å; W366-A370 PolarHBondContact O-N 3.44Å; W366-F373 HydrophobicContact CE3-CZ 4.39Å; W366-F373 AromaticContact CH2-CE1 3.75Å; W366-F373 HydrophobicContact CH2-CE1 3.75Å; W366-F373 AromaticContact CH2-CZ 3.73Å; W366-F373 HydrophobicContact CH2-CZ 3.73Å; W366-F373 HydrophobicContact CZ3-CD1 4.25Å; W366-F373 AromaticContact CZ3-CE1 3.6Å; W366-F373 HydrophobicContact CZ3-CE1 3.6Å; W366-F373 HydrophobicContact CZ3-CE2 4.1Å; W366-F373 AromaticContact CZ3-CZ 3.52Å; W366-F373 HydrophobicContact CZ3-CZ 3.52Å; W366-D403 HydrophobicContact CH2-CB 3.72Å; W366-D403 HydrophobicContact CZ2-CB 3.76Å; W366-D403 WeakPolarHBondContact CZ2-OD1 3.46Å; W366-E406 HydrophobicContact CD2-CB 3.58Å; W366-E406 VanDerWaalsContact CE2-CB 3.43Å; W366-E406 HydrophobicContact CE3-CB 4.1Å; W366-E406 HydrophobicContact CG-CB 3.92Å; W366-E406 HydrophobicContact CH2-CB 4.37Å; W366-E406 HydrophobicContact CZ2-CB 3.87Å; W366-E406 HydrophobicContact CZ3-CB 4.46Å; W366-F407 HydrophobicContact CZ3-CB 3.97Å; W366-H410 HydrophobicContact CB-CB 4.18Å; W366-H410 WeakPolarHBondContact CB-ND1 3.35Å
367	Y	93.2	Very high	93.7	Very high	192 Å²	192	65.3 Å²	65.3	75%	0.753	33%	0.326	S	S	*	.	H	α-helix	trans	-58.2	-41.3	174.7	-170.5	-93.8	0	0	0	112.5	E363 K364	E363-Y367 PolarHBondContact O-N 2.86Å; K364-Y367 PolarHBondContact O-N 3.32Å
368	E	93.1	Very high	93.9	Very high	107 Å²	107	68.7 Å²	68.7	50%	0.5	34%	0.337	S	S	.	.	H	α-helix	trans	-80.4	-30.7	-177.2	-70.2	175.1	173.1	0	0	113.4	K364 F365 W366	K364-E368 WeakPolarHBondContact CE-OE1 3.46Å; K364-E368 HydrophobicContact CG-CG 4.46Å; K364-E368 IonicContact NZ-OE1 2.68Å; K364-E368 WeakPolarHBondContact O-CB 3.38Å; K364-E368 WeakPolarHBondContact O-CG 3.37Å; K364-E368 PolarHBondContact O-N 3.12Å; F365-E368 PolarHBondContact O-N 3.23Å; W366-E368 VanDerWaalsContact C-N 3.29Å; W366-E368 PolarHBondContact O-N 2.91Å
369	N	95.4	Very high	94.2	Very high	7 Å²	7	68.1 Å²	68.1	4%	0.037	33%	0.327	C	S	.	.	H	α-helix	trans	-117.2	-13.6	-167.9	-63	-74.2	0	0	0	115.5	L342 F365 W366 V371 K372 F373	L342-N369 HydrophobicContact CD1-CB 4.12Å; F365-N369 HydrophobicContact CE2-CB 4.28Å; F365-N369 HydrophobicContact CZ-CB 4.3Å; F365-N369 WeakPolarHBondContact O-CB 3.38Å; F365-N369 PolarHBondContact O-N 2.98Å; F365-N369 PolarHBondContact O-ND2 3.23Å; W366-N369 PolarHBondContact O-N 3.47Å; N369-V371 PolarHBondContact O-N 2.99Å; N369-K372 WeakPolarHBondContact O-CB 3.48Å; N369-K372 PolarHBondContact O-N 2.92Å; N369-K372 PolarHBondContact OD1-NZ 3.01Å; N369-K372 VanDerWaalsContact OD1-NZ 3.1Å; N369-F373 WeakPolarHBondContact O-CD2 3.38Å
370	A	94.9	Very high	94.4	Very high	2 Å²	2	68.8 Å²	68.8	2%	0.017	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-55.7	-32.4	-175.7	0	0	0	0	0	113.6	W366 K372 F373 F407 H410	W366-A370 WeakPolarHBondContact O-CB 3.35Å; W366-A370 PolarHBondContact O-N 3.44Å; A370-K372 VanDerWaalsContact C-N 3.3Å; A370-K372 PolarHBondContact O-N 3.16Å; A370-F373 WeakPolarHBondContact O-CB 3.4Å; A370-F373 PolarHBondContact O-N 2.9Å; A370-F407 HydrophobicContact CB-CD2 4.4Å; A370-F407 WeakPolarHBondContact O-CE2 3.3Å; A370-H410 HydrophobicContact CB-CB 3.73Å
371	V	95.2	Very high	94.5	Very high	89 Å²	89	68.8 Å²	68.8	54%	0.539	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-61.7	-39.6	176	179.3	0	0	0	0	111.6	N369 F373 T374 Y411	N369-V371 PolarHBondContact O-N 2.99Å; V371-F373 PolarHBondContact O-N 3.31Å; V371-T374 WeakPolarHBondContact O-CB 3.19Å; V371-T374 PolarHBondContact O-N 2.88Å; V371-T374 PolarHBondContact O-OG1 2.52Å; V371-Y411 HydrophobicContact CG2-CD2 4.29Å; V371-Y411 HydrophobicContact CG2-CE2 4.27Å
372	K	95.2	Very high	94.7	Very high	85 Å²	85	66.4 Å²	66.4	37%	0.37	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-67.8	-19.6	-178.3	-60.3	176	-178.3	168.4	0	113	L342 N369 A370 T374 D375 M380	L342-K372 HydrophobicContact CD2-CB 4.23Å; L342-K372 HydrophobicContact CD2-CD 3.31Å; L342-K372 HydrophobicContact CD2-CG 4.44Å; N369-K372 WeakPolarHBondContact O-CB 3.48Å; N369-K372 PolarHBondContact O-N 2.92Å; N369-K372 PolarHBondContact OD1-NZ 3.01Å; N369-K372 VanDerWaalsContact OD1-NZ 3.1Å; A370-K372 VanDerWaalsContact C-N 3.3Å; A370-K372 PolarHBondContact O-N 3.16Å; K372-T374 PolarHBondContact O-N 3.4Å; K372-T374 VanDerWaalsContact O-N 3.09Å; K372-D375 WeakPolarHBondContact CA-OD2 3.48Å; K372-D375 VanDerWaalsContact O-CB 3.28Å; K372-D375 WeakPolarHBondContact O-CB 3.43Å; K372-D375 PolarHBondContact O-N 2.89Å; K372-M380 HydrophobicContact CB-CE 4.45Å; K372-M380 WeakPolarHBondContact O-CE 3.46Å
373	F	96.5	Very high	94.9	Very high	1 Å²	1	66.9 Å²	66.9	0%	0.004	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-64.5	-12.2	172.7	-77.8	-122.2	0	0	0	112.7	L342 Y345 F365 W366 N369 A370 V371 M380 L381 L384 F407	L342-F373 HydrophobicContact CD1-CE2 4.16Å; Y345-F373 HydrophobicContact CD1-CE1 4.32Å; Y345-F373 HydrophobicContact CD1-CE2 4.47Å; Y345-F373 AromaticContact CD1-CZ 3.73Å; Y345-F373 HydrophobicContact CD1-CZ 3.73Å; Y345-F373 HydrophobicContact CD2-CZ 4.43Å; Y345-F373 AromaticContact CE1-CE1 3.41Å; Y345-F373 HydrophobicContact CE1-CE1 3.41Å; Y345-F373 VanDerWaalsContact CE1-CE1 3.41Å; Y345-F373 HydrophobicContact CE1-CE2 4.3Å; Y345-F373 AromaticContact CE1-CZ 3.24Å; Y345-F373 HydrophobicContact CE1-CZ 3.24Å; Y345-F373 HydrophobicContact CE2-CE1 4.37Å; Y345-F373 AromaticContact CE2-CZ 3.99Å; Y345-F373 HydrophobicContact CE2-CZ 3.99Å; Y345-F373 HydrophobicContact CG-CZ 4.32Å; Y345-F373 AromaticContact CZ-CE1 3.48Å; Y345-F373 VanDerWaalsContact CZ-CE1 3.48Å; Y345-F373 AromaticContact CZ-CZ 3.43Å; Y345-F373 VanDerWaalsContact CZ-CZ 3.43Å; Y345-F373 WeakPolarHBondContact OH-CE1 3.48Å; F365-F373 HydrophobicContact CE1-CE2 4.28Å; F365-F373 HydrophobicContact CE1-CZ 4.19Å; F365-F373 HydrophobicContact CZ-CE2 4.25Å; F365-F373 HydrophobicContact CZ-CZ 4.32Å; W366-F373 HydrophobicContact CE3-CZ 4.39Å; W366-F373 AromaticContact CH2-CE1 3.75Å; W366-F373 HydrophobicContact CH2-CE1 3.75Å; W366-F373 AromaticContact CH2-CZ 3.73Å; W366-F373 HydrophobicContact CH2-CZ 3.73Å; W366-F373 HydrophobicContact CZ3-CD1 4.25Å; W366-F373 AromaticContact CZ3-CE1 3.6Å; W366-F373 HydrophobicContact CZ3-CE1 3.6Å; W366-F373 HydrophobicContact CZ3-CE2 4.1Å; W366-F373 AromaticContact CZ3-CZ 3.52Å; W366-F373 HydrophobicContact CZ3-CZ 3.52Å; N369-F373 WeakPolarHBondContact O-CD2 3.38Å; A370-F373 WeakPolarHBondContact O-CB 3.4Å; A370-F373 PolarHBondContact O-N 2.9Å; V371-F373 PolarHBondContact O-N 3.31Å; F373-M380 HydrophobicContact CD1-CB 4.09Å; F373-M380 HydrophobicContact CD2-CE 4.3Å; F373-M380 HydrophobicContact CD2-SD 4.24Å; F373-M380 HydrophobicContact CE2-SD 4.3Å; F373-M380 HydrophobicContact CG-CB 4.46Å; F373-M380 HydrophobicContact CG-CE 4.47Å; F373-M380 HydrophobicContact CG-SD 4.35Å; F373-M380 HydrophobicContact CZ-SD 4.48Å; F373-L381 HydrophobicContact CB-CD1 4.41Å; F373-L381 HydrophobicContact CB-CD2 4.12Å; F373-L381 HydrophobicContact CB-CG 4.09Å; F373-L381 HydrophobicContact CD1-CD2 3.84Å; F373-L381 HydrophobicContact CD1-CG 4.41Å; F373-L381 HydrophobicContact CG-CD2 4.49Å; F373-L381 WeakPolarHBondContact O-CD1 3.43Å; F373-L381 WeakPolarHBondContact O-CG 3.02Å; F373-L384 HydrophobicContact CD1-CD1 4.48Å; F373-L384 HydrophobicContact CE1-CD1 4.17Å; F373-F407 HydrophobicContact CB-CD2 3.86Å; F373-F407 HydrophobicContact CB-CE2 3.78Å; F373-F407 HydrophobicContact CD1-CD2 4.48Å; F373-F407 HydrophobicContact CG-CD2 4.29Å
374	T	94.1	Very high	95.1	Very high	29 Å²	29	61.6 Å²	61.6	18%	0.178	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-90.3	-8.3	174.5	71.5	0	0	0	0	114.4	V371 K372 Y378 F407 Y411 I417	V371-T374 WeakPolarHBondContact O-CB 3.19Å; V371-T374 PolarHBondContact O-N 2.88Å; V371-T374 PolarHBondContact O-OG1 2.52Å; K372-T374 PolarHBondContact O-N 3.4Å; K372-T374 VanDerWaalsContact O-N 3.09Å; T374-Y378 HydrophobicContact CG2-CD1 4.27Å; T374-Y378 HydrophobicContact CG2-CE1 4.11Å; T374-F407 HydrophobicContact CG2-CE2 4.31Å; T374-F407 HydrophobicContact CG2-CZ 4.2Å; T374-Y411 HydrophobicContact CG2-CD1 4.26Å; T374-Y411 HydrophobicContact CG2-CE1 3.76Å; T374-Y411 HydrophobicContact CG2-CE2 4.16Å; T374-I417 HydrophobicContact CG2-CD1 4.23Å
375	D	94	Very high	95.3	Very high	85 Å²	85	55.6 Å²	55.6	46%	0.455	27%	0.267	S	S	.	.	H	α-helix	trans	-67.3	164.3	178.8	-63.1	-20.3	0	0	0	111.5	K372 N377 Y378 E379	K372-D375 WeakPolarHBondContact CA-OD2 3.48Å; K372-D375 VanDerWaalsContact O-CB 3.28Å; K372-D375 WeakPolarHBondContact O-CB 3.43Å; K372-D375 PolarHBondContact O-N 2.89Å; D375-N377 PolarHBondContact O-N 3.37Å; D375-N377 VanDerWaalsContact O-N 3.09Å; D375-Y378 PolarHBondContact O-N 3.09Å; D375-E379 PolarHBondContact O-N 3.04Å
376	N	93.8	Very high	95.3	Very high	122 Å²	122	63 Å²	63	65%	0.652	30%	0.295	S	S	*	.	H	α-helix	trans	49.1	39.4	177.6	-60.5	-24.2	0	0	0	114.5	E379	N376-E379 HydrophobicContact CB-CB 3.89Å; N376-E379 WeakPolarHBondContact CB-OE2 3.38Å; N376-E379 PolarHBondContact ND2-OE2 3.07Å; N376-E379 VanDerWaalsContact ND2-OE2 3.12Å
377	N	93.6	Very high	95.3	Very high	109 Å²	109	64.4 Å²	64.4	58%	0.583	30%	0.303	S	S	*	.	H	α-helix	trans	58.2	49.1	-175.9	-173.3	25.8	0	0	0	112.1	D375 E379 K382	D375-N377 PolarHBondContact O-N 3.37Å; D375-N377 VanDerWaalsContact O-N 3.09Å; N377-E379 VanDerWaalsContact C-N 3.32Å; N377-E379 PolarHBondContact O-N 3.17Å; N377-K382 VanDerWaalsContact CG-NZ 3.31Å; N377-K382 PolarHBondContact ND2-NZ 2.99Å; N377-K382 VanDerWaalsContact O-CE 3.22Å; N377-K382 WeakPolarHBondContact O-CE 3.28Å; N377-K382 PolarHBondContact O-NZ 3.35Å
378	Y	95.3	Very high	95.4	Very high	82 Å²	82	55.7 Å²	55.7	32%	0.322	27%	0.269	S	S	.	.	H	α-helix	trans	62.8	34.7	175.4	-42.7	-75.5	0	0	0	113.3	T374 D375 M380 L381 K382 I417	T374-Y378 HydrophobicContact CG2-CD1 4.27Å; T374-Y378 HydrophobicContact CG2-CE1 4.11Å; D375-Y378 PolarHBondContact O-N 3.09Å; Y378-M380 PolarHBondContact O-N 3.19Å; Y378-L381 HydrophobicContact CD1-CD1 4.07Å; Y378-L381 PolarHBondContact O-N 3.12Å; Y378-K382 WeakPolarHBondContact O-CB 3.36Å; Y378-K382 WeakPolarHBondContact O-CG 3.47Å; Y378-K382 PolarHBondContact O-N 2.87Å; Y378-I417 HydrophobicContact CD1-CD1 4.42Å; Y378-I417 HydrophobicContact CD1-CG2 3.84Å; Y378-I417 HydrophobicContact CE1-CD1 3.8Å; Y378-I417 HydrophobicContact CE1-CG1 4.2Å; Y378-I417 HydrophobicContact CE1-CG2 4.07Å; Y378-I417 HydrophobicContact CG-CG2 4.32Å
379	E	95.2	Very high	95.5	Very high	82 Å²	82	56.4 Å²	56.4	38%	0.383	27%	0.272	S	S	.	.	H	α-helix	trans	-54.8	-51.8	-174.5	-177.5	179.7	-163.1	0	0	112.2	D375 N376 N377 L381 K382 M383	D375-E379 PolarHBondContact O-N 3.04Å; N376-E379 HydrophobicContact CB-CB 3.89Å; N376-E379 WeakPolarHBondContact CB-OE2 3.38Å; N376-E379 PolarHBondContact ND2-OE2 3.07Å; N376-E379 VanDerWaalsContact ND2-OE2 3.12Å; N377-E379 VanDerWaalsContact C-N 3.32Å; N377-E379 PolarHBondContact O-N 3.17Å; E379-L381 VanDerWaalsContact C-N 3.33Å; E379-L381 PolarHBondContact O-N 2.94Å; E379-K382 PolarHBondContact O-N 2.83Å; E379-M383 WeakPolarHBondContact O-CG 3.38Å; E379-M383 PolarHBondContact O-N 3Å
380	M	96.3	Very high	95.3	Very high	16 Å²	16	61.6 Å²	61.6	8%	0.079	30%	0.3	C	S	.	.	H	α-helix	trans	-60	-42	178	-72.7	-175.3	-95.2	0	0	112.2	L342 Y345 M346 L349 K372 F373 Y378 M383 L384	L342-M380 HydrophobicContact CD1-CE 4.42Å; L342-M380 HydrophobicContact CD1-SD 4.2Å; Y345-M380 HydrophobicContact CD1-SD 4.39Å; Y345-M380 HydrophobicContact CE1-SD 4.4Å; M346-M380 HydrophobicContact CG-CG 4.33Å; M346-M380 HydrophobicContact CG-SD 3.7Å; M346-M380 HydrophobicContact SD-CE 4.44Å; M346-M380 HydrophobicContact SD-SD 4.18Å; L349-M380 HydrophobicContact CD2-CB 3.96Å; L349-M380 HydrophobicContact CD2-CG 4.13Å; K372-M380 HydrophobicContact CB-CE 4.45Å; K372-M380 WeakPolarHBondContact O-CE 3.46Å; F373-M380 HydrophobicContact CD1-CB 4.09Å; F373-M380 HydrophobicContact CD2-CE 4.3Å; F373-M380 HydrophobicContact CD2-SD 4.24Å; F373-M380 HydrophobicContact CE2-SD 4.3Å; F373-M380 HydrophobicContact CG-CB 4.46Å; F373-M380 HydrophobicContact CG-CE 4.47Å; F373-M380 HydrophobicContact CG-SD 4.35Å; F373-M380 HydrophobicContact CZ-SD 4.48Å; Y378-M380 PolarHBondContact O-N 3.19Å; M380-M383 PolarHBondContact O-N 3.3Å; M380-L384 PolarHBondContact O-N 3.31Å
381	L	97.2	Very high	94.7	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-67.3	-38	178.5	-63.1	172.3	0	0	0	111.8	F373 Y378 E379 M383 L384 V385 F407 I417 I418 L421	F373-L381 HydrophobicContact CB-CD1 4.41Å; F373-L381 HydrophobicContact CB-CD2 4.12Å; F373-L381 HydrophobicContact CB-CG 4.09Å; F373-L381 HydrophobicContact CD1-CD2 3.84Å; F373-L381 HydrophobicContact CD1-CG 4.41Å; F373-L381 HydrophobicContact CG-CD2 4.49Å; F373-L381 WeakPolarHBondContact O-CD1 3.43Å; F373-L381 WeakPolarHBondContact O-CG 3.02Å; Y378-L381 HydrophobicContact CD1-CD1 4.07Å; Y378-L381 PolarHBondContact O-N 3.12Å; E379-L381 VanDerWaalsContact C-N 3.33Å; E379-L381 PolarHBondContact O-N 2.94Å; L381-M383 VanDerWaalsContact C-N 3.34Å; L381-L384 HydrophobicContact CD2-CD1 4.36Å; L381-L384 PolarHBondContact O-N 2.97Å; L381-V385 WeakPolarHBondContact O-CB 3.32Å; L381-V385 VanDerWaalsContact O-CG2 3.25Å; L381-V385 WeakPolarHBondContact O-CG2 3.12Å; L381-V385 PolarHBondContact O-N 3.49Å; L381-F407 HydrophobicContact CD1-CD1 4.2Å; L381-F407 HydrophobicContact CD1-CE1 3.55Å; L381-F407 HydrophobicContact CD1-CE2 4.01Å; L381-F407 HydrophobicContact CD1-CZ 3.45Å; L381-F407 VanDerWaalsContact CD1-CZ 3.45Å; L381-F407 HydrophobicContact CD2-CB 4.32Å; L381-F407 HydrophobicContact CD2-CD1 3.62Å; L381-F407 HydrophobicContact CD2-CD2 3.98Å; L381-F407 HydrophobicContact CD2-CE1 3.87Å; L381-F407 HydrophobicContact CD2-CE2 4.21Å; L381-F407 HydrophobicContact CD2-CG 3.68Å; L381-F407 HydrophobicContact CD2-CZ 4.17Å; L381-F407 HydrophobicContact CG-CE1 4.39Å; L381-F407 HydrophobicContact CG-CZ 4.42Å; L381-I417 HydrophobicContact CD1-CG2 3.77Å; L381-I418 HydrophobicContact CD2-CD1 4.22Å; L381-L421 HydrophobicContact CB-CD1 3.69Å
382	K	97	Very high	94.2	Very high	84 Å²	84	63.9 Å²	63.9	37%	0.365	32%	0.324	S	S	.	.	H	α-helix	trans	-64.1	-40.1	174.7	-74.8	169.1	176.7	166.4	0	111.5	N377 Y378 E379 R386 L421	N377-K382 VanDerWaalsContact CG-NZ 3.31Å; N377-K382 PolarHBondContact ND2-NZ 2.99Å; N377-K382 VanDerWaalsContact O-CE 3.22Å; N377-K382 WeakPolarHBondContact O-CE 3.28Å; N377-K382 PolarHBondContact O-NZ 3.35Å; Y378-K382 WeakPolarHBondContact O-CB 3.36Å; Y378-K382 WeakPolarHBondContact O-CG 3.47Å; Y378-K382 PolarHBondContact O-N 2.87Å; E379-K382 PolarHBondContact O-N 2.83Å; K382-R386 VanDerWaalsContact O-CB 3.25Å; K382-R386 WeakPolarHBondContact O-CB 3.46Å; K382-R386 PolarHBondContact O-N 3.18Å; K382-L421 HydrophobicContact CG-CD2 3.9Å
383	M	95.6	Very high	94	Very high	56 Å²	56	63.3 Å²	63.3	28%	0.276	33%	0.325	S	S	.	.	H	α-helix	trans	-64.1	-46.2	174.5	-69	-177.9	67.8	0	0	111.4	L349 K350 E379 M380 L381 R386 L387	L349-M383 HydrophobicContact CD1-CB 4.16Å; L349-M383 HydrophobicContact CD2-CB 3.89Å; L349-M383 HydrophobicContact CD2-SD 4.44Å; L349-M383 HydrophobicContact CG-CB 3.92Å; L349-M383 HydrophobicContact CG-CE 4.17Å; K350-M383 HydrophobicContact CB-CE 4.19Å; K350-M383 HydrophobicContact CG-CE 3.68Å; K350-M383 HydrophobicContact CG-SD 4.39Å; E379-M383 WeakPolarHBondContact O-CG 3.38Å; E379-M383 PolarHBondContact O-N 3Å; M380-M383 PolarHBondContact O-N 3.3Å; L381-M383 VanDerWaalsContact C-N 3.34Å; M383-R386 PolarHBondContact O-N 3.41Å; M383-L387 WeakPolarHBondContact O-CG 3.37Å; M383-L387 PolarHBondContact O-N 3.19Å
384	L	96.6	Very high	94	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-56.8	-51.1	174.3	-85.9	176.8	0	0	0	112.1	Y345 L349 L354 F373 M380 L381 R386 L387 V388 A400 D403	Y345-L384 VanDerWaalsContact OH-CD1 3.25Å; Y345-L384 WeakPolarHBondContact OH-CD1 3.28Å; Y345-L384 WeakPolarHBondContact OH-CD2 3.24Å; Y345-L384 WeakPolarHBondContact OH-CG 3.23Å; L349-L384 HydrophobicContact CD1-CD2 3.7Å; L349-L384 HydrophobicContact CD1-CG 3.82Å; L349-L384 HydrophobicContact CD2-CG 4.49Å; L354-L384 HydrophobicContact CD1-CD2 4.11Å; F373-L384 HydrophobicContact CD1-CD1 4.48Å; F373-L384 HydrophobicContact CE1-CD1 4.17Å; M380-L384 PolarHBondContact O-N 3.31Å; L381-L384 HydrophobicContact CD2-CD1 4.36Å; L381-L384 PolarHBondContact O-N 2.97Å; L384-R386 VanDerWaalsContact C-N 3.27Å; L384-R386 PolarHBondContact O-N 3.33Å; L384-L387 WeakPolarHBondContact O-CB 3.38Å; L384-L387 PolarHBondContact O-N 3.24Å; L384-L387 VanDerWaalsContact O-N 3.12Å; L384-V388 WeakPolarHBondContact O-CG2 3.28Å; L384-V388 PolarHBondContact O-N 3.29Å; L384-V388 VanDerWaalsContact O-N 3.08Å; L384-A400 HydrophobicContact CD2-CB 4.17Å; L384-D403 HydrophobicContact CD1-CB 4.2Å; L384-D403 HydrophobicContact CD2-CB 4.11Å
385	V	97.1	Very high	94.1	Very high	11 Å²	11	67.5 Å²	67.5	7%	0.067	35%	0.348	C	S	.	.	H	α-helix	trans	-59.5	-40.9	179	168.3	0	0	0	0	110.8	L381 L387 V388 E389 I404 L421 L426	L381-V385 WeakPolarHBondContact O-CB 3.32Å; L381-V385 VanDerWaalsContact O-CG2 3.25Å; L381-V385 WeakPolarHBondContact O-CG2 3.12Å; L381-V385 PolarHBondContact O-N 3.49Å; V385-L387 PolarHBondContact O-N 2.76Å; V385-V388 PolarHBondContact O-N 3.07Å; V385-E389 PolarHBondContact O-N 3.24Å; V385-I404 HydrophobicContact CG2-CD1 4.39Å; V385-L421 HydrophobicContact CG2-CB 4.19Å; V385-L426 HydrophobicContact CG1-CD1 3.81Å
386	R	95.7	Very high	94.1	Very high	164 Å²	164	63.7 Å²	63.7	62%	0.619	33%	0.328	S	S	*	.	H	α-helix	trans	-65.6	-35.4	176.5	-172.7	175	-178.2	169.3	0.2	112.8	K382 M383 L384 V388 E389 L390	K382-R386 VanDerWaalsContact O-CB 3.25Å; K382-R386 WeakPolarHBondContact O-CB 3.46Å; K382-R386 PolarHBondContact O-N 3.18Å; M383-R386 PolarHBondContact O-N 3.41Å; L384-R386 VanDerWaalsContact C-N 3.27Å; L384-R386 PolarHBondContact O-N 3.33Å; R386-V388 VanDerWaalsContact C-N 3.32Å; R386-E389 PolarHBondContact O-N 3.34Å; R386-L390 HydrophobicContact CG-CD1 3.83Å; R386-L390 HydrophobicContact CG-CG 4.38Å; R386-L390 PolarHBondContact O-N 2.94Å
387	L	95.3	Very high	94.3	Very high	30 Å²	30	58 Å²	58	16%	0.157	30%	0.298	C	S	.	.	H	α-helix	trans	-64.8	-36.9	172.3	-71.2	178.2	0	0	0	111.8	L349 L354 M383 L384 V385 G391 T396 L397 A400	L349-L387 HydrophobicContact CD1-CD1 3.7Å; L354-L387 HydrophobicContact CD1-CD1 3.88Å; L354-L387 HydrophobicContact CG-CD1 4.04Å; M383-L387 WeakPolarHBondContact O-CG 3.37Å; M383-L387 PolarHBondContact O-N 3.19Å; L384-L387 WeakPolarHBondContact O-CB 3.38Å; L384-L387 PolarHBondContact O-N 3.24Å; L384-L387 VanDerWaalsContact O-N 3.12Å; V385-L387 PolarHBondContact O-N 2.76Å; L387-G391 WeakPolarHBondContact O-CA 3.23Å; L387-G391 PolarHBondContact O-N 3.15Å; L387-T396 HydrophobicContact CD1-CG2 4.37Å; L387-L397 WeakPolarHBondContact O-CD2 3.13Å; L387-A400 HydrophobicContact CB-CB 4.27Å
388	V	96.2	Very high	94.5	Very high	9 Å²	9	52.9 Å²	52.9	6%	0.055	27%	0.271	C	S	.	.	H	α-helix	trans	-69.3	-36.1	174.4	-177.9	0	0	0	0	111.6	L384 V385 R386 A400 V401 I404 L426 L430	L384-V388 WeakPolarHBondContact O-CG2 3.28Å; L384-V388 PolarHBondContact O-N 3.29Å; L384-V388 VanDerWaalsContact O-N 3.08Å; V385-V388 PolarHBondContact O-N 3.07Å; R386-V388 VanDerWaalsContact C-N 3.32Å; V388-A400 HydrophobicContact CG2-CB 3.76Å; V388-V401 HydrophobicContact CG1-CG2 3.97Å; V388-V401 HydrophobicContact CG2-CG2 3.84Å; V388-I404 HydrophobicContact CG2-CD1 3.73Å; V388-L426 HydrophobicContact CG1-CB 3.76Å; V388-L430 HydrophobicContact CG1-CD1 3.56Å
389	E	95.4	Very high	94.6	Very high	121 Å²	121	49 Å²	49	57%	0.565	26%	0.255	S	S	*	.	H	α-helix	trans	-71.3	-43.8	179.9	-172.6	176.9	-157.9	0	0	113.4	V385 R386 L426	V385-E389 PolarHBondContact O-N 3.24Å; R386-E389 PolarHBondContact O-N 3.34Å; E389-L426 HydrophobicContact CB-CD1 3.77Å; E389-L426 HydrophobicContact CB-CD2 4.28Å; E389-L426 HydrophobicContact CG-CD1 4.36Å; E389-L426 HydrophobicContact CG-CD2 4.23Å
390	L	90.8	Very high	94.7	Very high	116 Å²	116	45.1 Å²	45.1	61%	0.607	24%	0.237	S	C	*	.	H	α-helix	trans	-110	-10.9	-170.4	-58.8	178.6	0	0	0	113.9	R386	R386-L390 HydrophobicContact CG-CD1 3.83Å; R386-L390 HydrophobicContact CG-CG 4.38Å; R386-L390 PolarHBondContact O-N 2.94Å
391	G	83.6	Confident	94.7	Very high	28 Å²	28	44.3 Å²	44.3	29%	0.289	23%	0.233	S	C	.	.			trans	-67.7	140.3	-176.7	0	0	0	0	0	112.1	L387	L387-G391 WeakPolarHBondContact O-CA 3.23Å; L387-G391 PolarHBondContact O-N 3.15Å
392	S	84.7	Confident	94.7	Very high	111 Å²	111	45.6 Å²	45.6	78%	0.776	24%	0.239	S	C	*	.			trans	-117.3	-19.2	174.8	56.5	0	0	0	0	113	P394	S392-P394 WeakPolarHBondContact O-CD 3.41Å
393	D	90.8	Very high	94.8	Very high	74 Å²	74	41.6 Å²	41.6	40%	0.396	22%	0.222	S	C	.	.			trans	-74.8	118.6	177.2	172.1	48.8	0	0	0	111	L395 T396 L397	D393-L395 VanDerWaalsContact C-N 3.27Å; D393-L395 PolarHBondContact O-N 3.13Å; D393-T396 PolarHBondContact O-N 3.14Å; D393-T396 VanDerWaalsContact OD2-CB 3.26Å; D393-T396 WeakPolarHBondContact OD2-CB 3.42Å; D393-T396 PolarHBondContact OD2-N 3.43Å; D393-T396 PolarHBondContact OD2-OG1 2.87Å; D393-L397 WeakPolarHBondContact O-CB 3.37Å; D393-L397 WeakPolarHBondContact O-CG 3.29Å; D393-L397 PolarHBondContact O-N 3.24Å
394	P	95.7	Very high	94.8	Very high	46 Å²	46	38.9 Å²	38.9	30%	0.299	21%	0.209	S	C	.	.	H	α-helix	trans	-60.5	-31.7	-177.9	-25.8	35.4	0	0	0	114.4	S392 S398 D435 V438	S392-P394 WeakPolarHBondContact O-CD 3.41Å; P394-S398 VanDerWaalsContact O-CB 3.28Å; P394-S398 WeakPolarHBondContact O-CB 3.22Å; P394-S398 PolarHBondContact O-N 2.92Å; P394-S398 PolarHBondContact O-OG 3.41Å; P394-D435 HydrophobicContact CB-CB 3.92Å; P394-D435 HydrophobicContact CG-CB 4.27Å; P394-V438 HydrophobicContact CB-CG2 3.93Å; P394-V438 VanDerWaalsContact O-CG2 3.3Å; P394-V438 WeakPolarHBondContact O-CG2 3.47Å
395	L	95.3	Very high	94.8	Very high	71 Å²	71	38.9 Å²	38.9	37%	0.372	21%	0.209	S	C	.	.	H	α-helix	trans	-68.6	-53.8	178.5	174.5	62.2	0	0	0	110.5	W356 D393 L397 S398 V399	W356-L395 VanDerWaalsContact CD1-CD1 3.49Å; W356-L395 HydrophobicContact CG-CD1 4.48Å; D393-L395 VanDerWaalsContact C-N 3.27Å; D393-L395 PolarHBondContact O-N 3.13Å; L395-L397 VanDerWaalsContact C-N 3.31Å; L395-L397 PolarHBondContact O-N 2.77Å; L395-S398 WeakPolarHBondContact O-CB 3.35Å; L395-S398 PolarHBondContact O-N 3.17Å; L395-S398 VanDerWaalsContact O-N 3.09Å; L395-V399 HydrophobicContact CD1-CG2 4.36Å; L395-V399 WeakPolarHBondContact O-CG2 3.34Å; L395-V399 PolarHBondContact O-N 2.95Å
396	T	95.3	Very high	94.7	Very high	6 Å²	6	39 Å²	39	4%	0.037	21%	0.208	C	C	.	.	H	α-helix	trans	-57.8	-44.1	178	-61.1	0	0	0	0	111.3	G352 L354 L387 D393 S398 V399 A400	G352-T396 WeakPolarHBondContact O-CG2 3.41Å; L354-T396 HydrophobicContact CB-CG2 4.16Å; L354-T396 HydrophobicContact CG-CG2 4.19Å; L354-T396 PolarHBondContact N-OG1 2.93Å; L387-T396 HydrophobicContact CD1-CG2 4.37Å; D393-T396 PolarHBondContact O-N 3.14Å; D393-T396 VanDerWaalsContact OD2-CB 3.26Å; D393-T396 WeakPolarHBondContact OD2-CB 3.42Å; D393-T396 PolarHBondContact OD2-N 3.43Å; D393-T396 PolarHBondContact OD2-OG1 2.87Å; T396-S398 PolarHBondContact O-N 3.48Å; T396-V399 PolarHBondContact O-N 3.24Å; T396-A400 VanDerWaalsContact O-CB 3.31Å; T396-A400 WeakPolarHBondContact O-CB 3.49Å; T396-A400 PolarHBondContact O-N 3.45Å
397	L	96.8	Very high	94.8	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-60.9	-43.8	175.6	-75.7	175.7	0	0	0	111.8	L387 D393 L395 V399 A400 V401 L430 V438	L387-L397 WeakPolarHBondContact O-CD2 3.13Å; D393-L397 WeakPolarHBondContact O-CB 3.37Å; D393-L397 WeakPolarHBondContact O-CG 3.29Å; D393-L397 PolarHBondContact O-N 3.24Å; L395-L397 VanDerWaalsContact C-N 3.31Å; L395-L397 PolarHBondContact O-N 2.77Å; L397-V399 VanDerWaalsContact C-N 3.35Å; L397-V399 PolarHBondContact O-N 3.24Å; L397-A400 PolarHBondContact O-N 2.8Å; L397-V401 VanDerWaalsContact O-CB 3.28Å; L397-V401 WeakPolarHBondContact O-CB 3.43Å; L397-V401 WeakPolarHBondContact O-CG2 3.3Å; L397-V401 PolarHBondContact O-N 2.82Å; L397-L430 HydrophobicContact CD2-CD1 4.43Å; L397-V438 HydrophobicContact CB-CG1 4.34Å; L397-V438 HydrophobicContact CB-CG2 4.02Å
398	S	97.9	Very high	94.8	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.014	18%	0.176	C	C	.	.	H	α-helix	trans	-59.7	-45.3	178.5	-66.8	0	0	0	0	111.9	P394 L395 T396 H402 V438 N441	P394-S398 VanDerWaalsContact O-CB 3.28Å; P394-S398 WeakPolarHBondContact O-CB 3.22Å; P394-S398 PolarHBondContact O-N 2.92Å; P394-S398 PolarHBondContact O-OG 3.41Å; L395-S398 WeakPolarHBondContact O-CB 3.35Å; L395-S398 PolarHBondContact O-N 3.17Å; L395-S398 VanDerWaalsContact O-N 3.09Å; T396-S398 PolarHBondContact O-N 3.48Å; S398-H402 VanDerWaalsContact O-CB 3.26Å; S398-H402 WeakPolarHBondContact O-CB 3.27Å; S398-H402 PolarHBondContact O-N 2.89Å; S398-H402 VanDerWaalsContact O-N 3.08Å; S398-V438 PolarHBondContact OG-N 2.94Å; S398-N441 WeakPolarHBondContact O-CB 3.4Å
399	V	97.5	Very high	94.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-68.9	-48.8	178.8	-177.6	0	0	0	0	110.8	L354 W356 H360 L395 T396 L397 V401 H402 D403	L354-V399 HydrophobicContact CB-CB 3.76Å; L354-V399 HydrophobicContact CB-CG1 3.76Å; L354-V399 HydrophobicContact CB-CG2 4.37Å; L354-V399 HydrophobicContact CD1-CB 4.25Å; L354-V399 HydrophobicContact CD1-CG1 4.05Å; L354-V399 HydrophobicContact CG-CG1 4.49Å; W356-V399 HydrophobicContact CD2-CG2 3.7Å; W356-V399 HydrophobicContact CE3-CG2 4.07Å; W356-V399 HydrophobicContact CG-CG2 4.08Å; W356-V399 HydrophobicContact CH2-CG2 4.38Å; W356-V399 HydrophobicContact CZ2-CG2 4.01Å; W356-V399 HydrophobicContact CZ3-CG2 4.39Å; H360-V399 HydrophobicContact CB-CG1 4.04Å; H360-V399 VanDerWaalsContact CG-CG1 3.46Å; H360-V399 WeakPolarHBondContact ND1-CG1 3.5Å; L395-V399 HydrophobicContact CD1-CG2 4.36Å; L395-V399 WeakPolarHBondContact O-CG2 3.34Å; L395-V399 PolarHBondContact O-N 2.95Å; T396-V399 PolarHBondContact O-N 3.24Å; L397-V399 VanDerWaalsContact C-N 3.35Å; L397-V399 PolarHBondContact O-N 3.24Å; V399-V401 VanDerWaalsContact C-N 3.3Å; V399-V401 PolarHBondContact O-N 3.32Å; V399-H402 WeakPolarHBondContact O-CB 3.33Å; V399-H402 PolarHBondContact O-N 3.21Å; V399-H402 VanDerWaalsContact O-N 3.15Å; V399-D403 WeakPolarHBondContact O-CB 3.35Å; V399-D403 PolarHBondContact O-N 3.13Å
400	A	97.5	Very high	94.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58	-43.1	-179.3	0	0	0	0	0	112.3	L354 L384 L387 V388 T396 L397 D403 I404	L354-A400 HydrophobicContact CD1-CB 3.8Å; L384-A400 HydrophobicContact CD2-CB 4.17Å; L387-A400 HydrophobicContact CB-CB 4.27Å; V388-A400 HydrophobicContact CG2-CB 3.76Å; T396-A400 VanDerWaalsContact O-CB 3.31Å; T396-A400 WeakPolarHBondContact O-CB 3.49Å; T396-A400 PolarHBondContact O-N 3.45Å; L397-A400 PolarHBondContact O-N 2.8Å; A400-D403 PolarHBondContact O-N 3.43Å; A400-I404 WeakPolarHBondContact O-CG1 3.38Å; A400-I404 PolarHBondContact O-N 3.23Å; A400-I404 VanDerWaalsContact O-N 3.09Å
401	V	97.3	Very high	94.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-69	-41.3	178.9	171.9	0	0	0	0	111.5	V388 L397 V399 D403 I404 G405 V427 L430 A442 S445	V388-V401 HydrophobicContact CG1-CG2 3.97Å; V388-V401 HydrophobicContact CG2-CG2 3.84Å; L397-V401 VanDerWaalsContact O-CB 3.28Å; L397-V401 WeakPolarHBondContact O-CB 3.43Å; L397-V401 WeakPolarHBondContact O-CG2 3.3Å; L397-V401 PolarHBondContact O-N 2.82Å; V399-V401 VanDerWaalsContact C-N 3.3Å; V399-V401 PolarHBondContact O-N 3.32Å; V401-D403 VanDerWaalsContact C-N 3.32Å; V401-D403 PolarHBondContact O-N 3Å; V401-I404 PolarHBondContact O-N 3.23Å; V401-G405 PolarHBondContact O-N 3.01Å; V401-V427 HydrophobicContact CG1-CG1 3.98Å; V401-V427 HydrophobicContact CG1-CG2 4.11Å; V401-V427 HydrophobicContact CG2-CG2 4.47Å; V401-L430 HydrophobicContact CG2-CD1 3.42Å; V401-L430 VanDerWaalsContact CG2-CD1 3.42Å; V401-A442 HydrophobicContact CG1-CB 4.03Å; V401-S445 WeakPolarHBondContact O-CB 3.47Å; V401-S445 PolarHBondContact O-OG 3.29Å
402	H	97.2	Very high	95.1	Very high	26 Å²	26	31.3 Å²	31.3	12%	0.12	18%	0.175	C	C	.	.	H	α-helix	trans	-57.4	-47	173.7	168.8	-85.6	0	0	0	111.5	W356 H360 S398 V399 I404 G405 E406	W356-H402 HydrophobicContact CH2-CB 3.56Å; W356-H402 AromaticContact CH2-CD2 3.79Å; W356-H402 AromaticContact CH2-CG 3.48Å; W356-H402 VanDerWaalsContact CH2-CG 3.48Å; W356-H402 AromaticContact CH2-ND1 3.94Å; W356-H402 HydrophobicContact CZ3-CB 4.21Å; W356-H402 AromaticContact CZ3-CG 3.76Å; W356-H402 AromaticContact CZ3-ND1 3.72Å; H360-H402 PolarHBondContact O-CE1 2.92Å; H360-H402 VanDerWaalsContact O-CE1 3.23Å; S398-H402 VanDerWaalsContact O-CB 3.26Å; S398-H402 WeakPolarHBondContact O-CB 3.27Å; S398-H402 PolarHBondContact O-N 2.89Å; S398-H402 VanDerWaalsContact O-N 3.08Å; V399-H402 WeakPolarHBondContact O-CB 3.33Å; V399-H402 PolarHBondContact O-N 3.21Å; V399-H402 VanDerWaalsContact O-N 3.15Å; H402-I404 PolarHBondContact O-N 2.96Å; H402-G405 CarbonylContact O-C 3.58Å; H402-G405 WeakPolarHBondContact O-CA 3.34Å; H402-G405 PolarHBondContact O-N 3.12Å; H402-E406 WeakPolarHBondContact CE1-CG 3.43Å; H402-E406 IonicContact NE2-OE1 3.85Å; H402-E406 PolarHBondContact O-N 2.86Å
403	D	97.7	Very high	95.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.4	-37.5	-178.3	-71.9	-3.1	0	0	0	113.2	Y345 H360 W366 L384 V399 A400 V401 G405 E406 F407	Y345-D403 PolarHBondContact OH-OD2 2.83Å; H360-D403 IonicContact CE1-OD2 3.18Å; H360-D403 PolarHBondContact CE1-OD2 3.1Å; H360-D403 IonicContact CG-OD1 3.26Å; H360-D403 IonicContact CG-OD2 2.99Å; H360-D403 VanDerWaalsContact ND1-CG 3.26Å; H360-D403 IonicContact ND1-OD1 3.88Å; H360-D403 PolarHBondContact ND1-OD1 3.35Å; H360-D403 IonicContact ND1-OD2 3.85Å; H360-D403 PolarHBondContact ND1-OD2 3.16Å; W366-D403 HydrophobicContact CH2-CB 3.72Å; W366-D403 HydrophobicContact CZ2-CB 3.76Å; W366-D403 WeakPolarHBondContact CZ2-OD1 3.46Å; L384-D403 HydrophobicContact CD1-CB 4.2Å; L384-D403 HydrophobicContact CD2-CB 4.11Å; V399-D403 WeakPolarHBondContact O-CB 3.35Å; V399-D403 PolarHBondContact O-N 3.13Å; A400-D403 PolarHBondContact O-N 3.43Å; V401-D403 VanDerWaalsContact C-N 3.32Å; V401-D403 PolarHBondContact O-N 3Å; D403-G405 PolarHBondContact O-N 3.07Å; D403-E406 PolarHBondContact O-N 3.44Å; D403-F407 WeakPolarHBondContact O-CB 3.48Å; D403-F407 PolarHBondContact O-N 2.87Å
404	I	97.3	Very high	95.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-55.8	-43.2	169.8	-72.8	173.3	0	0	0	110.2	V385 V388 A400 V401 H402 V408 I418 V427 I449	V385-I404 HydrophobicContact CG2-CD1 4.39Å; V388-I404 HydrophobicContact CG2-CD1 3.73Å; A400-I404 WeakPolarHBondContact O-CG1 3.38Å; A400-I404 PolarHBondContact O-N 3.23Å; A400-I404 VanDerWaalsContact O-N 3.09Å; V401-I404 PolarHBondContact O-N 3.23Å; H402-I404 PolarHBondContact O-N 2.96Å; I404-V408 VanDerWaalsContact O-CG2 3.28Å; I404-V408 WeakPolarHBondContact O-CG2 3.28Å; I404-V408 PolarHBondContact O-N 3.35Å; I404-V408 VanDerWaalsContact O-N 3.12Å; I404-I418 HydrophobicContact CG2-CD1 4.07Å; I404-I418 HydrophobicContact CG2-CG1 4.11Å; I404-I418 HydrophobicContact CG2-CG2 3.75Å; I404-V427 HydrophobicContact CD1-CG2 4.11Å; I404-V427 HydrophobicContact CG2-CG2 4.29Å; I404-I449 HydrophobicContact CG2-CD1 4.15Å
405	G	95.9	Very high	95.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-67.1	-41.8	178.1	0	0	0	0	0	112.5	V401 H402 D403 V408 R409 S445 K448	V401-G405 PolarHBondContact O-N 3.01Å; H402-G405 CarbonylContact O-C 3.58Å; H402-G405 WeakPolarHBondContact O-CA 3.34Å; H402-G405 PolarHBondContact O-N 3.12Å; D403-G405 PolarHBondContact O-N 3.07Å; G405-V408 PolarHBondContact O-N 3.04Å; G405-R409 WeakPolarHBondContact O-CB 3.35Å; G405-R409 PolarHBondContact O-N 2.71Å; G405-S445 WeakPolarHBondContact CA-OG 3.43Å; G405-S445 PolarHBondContact N-OG 2.95Å; G405-K448 WeakPolarHBondContact O-CD 3.13Å
406	E	96	Very high	95.3	Very high	12 Å²	12	34.9 Å²	34.9	6%	0.056	16%	0.162	C	C	.	.	H	α-helix	trans	-65.3	-41.3	176.5	-75.1	-57.5	138.7	0	0	112.6	W366 H402 D403 V408 R409 H410 K448	W366-E406 HydrophobicContact CD2-CB 3.58Å; W366-E406 VanDerWaalsContact CE2-CB 3.43Å; W366-E406 HydrophobicContact CE3-CB 4.1Å; W366-E406 HydrophobicContact CG-CB 3.92Å; W366-E406 HydrophobicContact CH2-CB 4.37Å; W366-E406 HydrophobicContact CZ2-CB 3.87Å; W366-E406 HydrophobicContact CZ3-CB 4.46Å; H402-E406 WeakPolarHBondContact CE1-CG 3.43Å; H402-E406 IonicContact NE2-OE1 3.85Å; H402-E406 PolarHBondContact O-N 2.86Å; D403-E406 PolarHBondContact O-N 3.44Å; E406-V408 PolarHBondContact O-N 3.06Å; E406-R409 WeakPolarHBondContact O-CB 3.32Å; E406-R409 PolarHBondContact O-N 3.21Å; E406-R409 IonicContact OE1-NH1 3.59Å; E406-R409 IonicContact OE2-NH1 3.36Å; E406-H410 WeakPolarHBondContact O-CB 3.39Å; E406-H410 PolarHBondContact O-N 2.72Å; E406-H410 PolarHBondContact O-ND1 2.93Å; E406-H410 IonicContact OE2-CE1 3.68Å; E406-H410 PolarHBondContact OE2-CE1 3.45Å; E406-H410 IonicContact OE2-ND1 3.54Å; E406-H410 PolarHBondContact OE2-ND1 3.07Å; E406-K448 WeakPolarHBondContact OE1-CE 3.41Å; E406-K448 IonicContact OE1-NZ 3.38Å; E406-K448 PolarHBondContact OE1-NZ 2.64Å
407	F	96.9	Very high	95.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59.2	-46.3	172.9	170.7	-105.5	0	0	0	111.6	W366 A370 F373 T374 L381 D403 R409 H410 Y411 I417 I418	W366-F407 HydrophobicContact CZ3-CB 3.97Å; A370-F407 HydrophobicContact CB-CD2 4.4Å; A370-F407 WeakPolarHBondContact O-CE2 3.3Å; F373-F407 HydrophobicContact CB-CD2 3.86Å; F373-F407 HydrophobicContact CB-CE2 3.78Å; F373-F407 HydrophobicContact CD1-CD2 4.48Å; F373-F407 HydrophobicContact CG-CD2 4.29Å; T374-F407 HydrophobicContact CG2-CE2 4.31Å; T374-F407 HydrophobicContact CG2-CZ 4.2Å; L381-F407 HydrophobicContact CD1-CD1 4.2Å; L381-F407 HydrophobicContact CD1-CE1 3.55Å; L381-F407 HydrophobicContact CD1-CE2 4.01Å; L381-F407 HydrophobicContact CD1-CZ 3.45Å; L381-F407 VanDerWaalsContact CD1-CZ 3.45Å; L381-F407 HydrophobicContact CD2-CB 4.32Å; L381-F407 HydrophobicContact CD2-CD1 3.62Å; L381-F407 HydrophobicContact CD2-CD2 3.98Å; L381-F407 HydrophobicContact CD2-CE1 3.87Å; L381-F407 HydrophobicContact CD2-CE2 4.21Å; L381-F407 HydrophobicContact CD2-CG 3.68Å; L381-F407 HydrophobicContact CD2-CZ 4.17Å; L381-F407 HydrophobicContact CG-CE1 4.39Å; L381-F407 HydrophobicContact CG-CZ 4.42Å; D403-F407 WeakPolarHBondContact O-CB 3.48Å; D403-F407 PolarHBondContact O-N 2.87Å; F407-R409 VanDerWaalsContact C-N 3.29Å; F407-R409 PolarHBondContact O-N 3.05Å; F407-H410 PolarHBondContact O-N 2.77Å; F407-Y411 HydrophobicContact CE2-CD1 4.11Å; F407-Y411 AromaticContact CE2-CG 3.93Å; F407-Y411 HydrophobicContact CE2-CG 3.93Å; F407-Y411 AromaticContact CZ-CD1 3.69Å; F407-Y411 HydrophobicContact CZ-CD1 3.69Å; F407-Y411 AromaticContact CZ-CG 3.99Å; F407-Y411 HydrophobicContact CZ-CG 3.99Å; F407-Y411 WeakPolarHBondContact O-CB 3.29Å; F407-Y411 PolarHBondContact O-N 3.15Å; F407-I417 HydrophobicContact CE1-CB 4.5Å; F407-I417 HydrophobicContact CE1-CG2 4.47Å; F407-I417 HydrophobicContact CZ-CD1 4.3Å; F407-I418 HydrophobicContact CD1-CD1 4.08Å; F407-I418 HydrophobicContact CD1-CG1 3.96Å; F407-I418 HydrophobicContact CE1-CD1 4.38Å; F407-I418 HydrophobicContact CE1-CG1 4.19Å
408	V	95.2	Very high	95.3	Very high	16 Å²	16	35.4 Å²	35.4	10%	0.097	17%	0.165	C	C	.	.	H	α-helix	trans	-64.4	-36.2	179.7	174.1	0	0	0	0	111.8	I404 G405 E406 K415 I418 I449	I404-V408 VanDerWaalsContact O-CG2 3.28Å; I404-V408 WeakPolarHBondContact O-CG2 3.28Å; I404-V408 PolarHBondContact O-N 3.35Å; I404-V408 VanDerWaalsContact O-N 3.12Å; G405-V408 PolarHBondContact O-N 3.04Å; E406-V408 PolarHBondContact O-N 3.06Å; V408-K415 HydrophobicContact CG1-CB 4.08Å; V408-I418 HydrophobicContact CG2-CB 4.19Å; V408-I418 HydrophobicContact CG2-CG1 3.64Å; V408-I449 HydrophobicContact CB-CG1 4.39Å; V408-I449 HydrophobicContact CG1-CG1 4.32Å; V408-I449 HydrophobicContact CG2-CG1 4.15Å
409	R	92.4	Very high	95.1	Very high	72 Å²	72	38.2 Å²	38.2	27%	0.272	18%	0.178	S	C	.	.	H	α-helix	trans	-64.7	-40.3	174.6	174.9	-177	170.4	-172.8	1.3	112.2	E363 G405 E406 F407	E363-R409 IonicContact OE1-CZ 2.77Å; E363-R409 IonicContact OE1-NH2 3.47Å; E363-R409 PolarHBondContact OE1-NH2 3.29Å; E363-R409 IonicContact OE2-NH2 2.67Å; E363-R409 PolarHBondContact OE2-NH2 3.5Å; G405-R409 WeakPolarHBondContact O-CB 3.35Å; G405-R409 PolarHBondContact O-N 2.71Å; E406-R409 WeakPolarHBondContact O-CB 3.32Å; E406-R409 PolarHBondContact O-N 3.21Å; E406-R409 IonicContact OE1-NH1 3.59Å; E406-R409 IonicContact OE2-NH1 3.36Å; F407-R409 VanDerWaalsContact C-N 3.29Å; F407-R409 PolarHBondContact O-N 3.05Å
410	H	94.5	Very high	95	Very high	35 Å²	35	44.1 Å²	44.1	16%	0.162	21%	0.214	C	C	.	.	H	α-helix	trans	-95.4	-11.1	-171.6	-70.1	90.3	0	0	0	114.5	E363 W366 A370 E406 F407	E363-H410 WeakPolarHBondContact CG-NE2 3.38Å; W366-H410 HydrophobicContact CB-CB 4.18Å; W366-H410 WeakPolarHBondContact CB-ND1 3.35Å; A370-H410 HydrophobicContact CB-CB 3.73Å; E406-H410 WeakPolarHBondContact O-CB 3.39Å; E406-H410 PolarHBondContact O-N 2.72Å; E406-H410 PolarHBondContact O-ND1 2.93Å; E406-H410 IonicContact OE2-CE1 3.68Å; E406-H410 PolarHBondContact OE2-CE1 3.45Å; E406-H410 IonicContact OE2-ND1 3.54Å; E406-H410 PolarHBondContact OE2-ND1 3.07Å; F407-H410 PolarHBondContact O-N 2.77Å
411	Y	94.5	Very high	95	Very high	53 Å²	53	46.2 Å²	46.2	21%	0.208	23%	0.225	C	C	.	.	S	Bend	trans	-119.2	118.3	177.9	-166.8	-109.9	0	0	0	112	V371 T374 F407 R413 G414 I417	V371-Y411 HydrophobicContact CG2-CD2 4.29Å; V371-Y411 HydrophobicContact CG2-CE2 4.27Å; T374-Y411 HydrophobicContact CG2-CD1 4.26Å; T374-Y411 HydrophobicContact CG2-CE1 3.76Å; T374-Y411 HydrophobicContact CG2-CE2 4.16Å; F407-Y411 HydrophobicContact CE2-CD1 4.11Å; F407-Y411 AromaticContact CE2-CG 3.93Å; F407-Y411 HydrophobicContact CE2-CG 3.93Å; F407-Y411 AromaticContact CZ-CD1 3.69Å; F407-Y411 HydrophobicContact CZ-CD1 3.69Å; F407-Y411 AromaticContact CZ-CG 3.99Å; F407-Y411 HydrophobicContact CZ-CG 3.99Å; F407-Y411 WeakPolarHBondContact O-CB 3.29Å; F407-Y411 PolarHBondContact O-N 3.15Å; Y411-R413 VanDerWaalsContact C-N 3.25Å; Y411-R413 HydrophobicContact CD1-CB 4.29Å; Y411-R413 HydrophobicContact CE1-CB 3.91Å; Y411-R413 PolarHBondContact O-N 3.24Å; Y411-G414 WeakPolarHBondContact O-CA 3.18Å; Y411-G414 PolarHBondContact O-N 3.34Å; Y411-I417 HydrophobicContact CD1-CD1 3.94Å; Y411-I417 HydrophobicContact CE1-CD1 3.53Å
412	P	90.2	Very high	94.8	Very high	131 Å²	131	47.4 Å²	47.4	85%	0.851	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-29.4	-173	-30.2	35.5	0	0	0	116.4
413	R	91.2	Very high	94.8	Very high	171 Å²	171	46.1 Å²	46.1	65%	0.645	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.7	9.9	175.4	-67	-174.2	-179.4	171.9	0.4	113.3	Y411 K415 Q416 I417	Y411-R413 VanDerWaalsContact C-N 3.25Å; Y411-R413 HydrophobicContact CD1-CB 4.29Å; Y411-R413 HydrophobicContact CE1-CB 3.91Å; Y411-R413 PolarHBondContact O-N 3.24Å; R413-K415 VanDerWaalsContact C-N 3.29Å; R413-K415 PolarHBondContact O-N 3.31Å; R413-Q416 PolarHBondContact O-N 3.25Å; R413-Q416 VanDerWaalsContact O-N 3.17Å; R413-I417 HydrophobicContact CB-CD1 4.47Å; R413-I417 PolarHBondContact O-N 3.43Å
414	G	93.2	Very high	94.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-57.8	-41.4	-171.9	0	0	0	0	0	112.3	Y411 Q416 I417 I418	Y411-G414 WeakPolarHBondContact O-CA 3.18Å; Y411-G414 PolarHBondContact O-N 3.34Å; G414-Q416 PolarHBondContact O-N 3.31Å; G414-I417 PolarHBondContact O-N 2.99Å; G414-I418 WeakPolarHBondContact O-CG1 3.26Å; G414-I418 PolarHBondContact O-N 3.39Å
415	K	93	Very high	94.4	Very high	84 Å²	84	53.5 Å²	53.5	37%	0.365	27%	0.265	S	S	.	.	H	α-helix	trans	-54.9	-50.8	176.7	179.4	-179	-178.8	173.9	0	112.7	V408 R413 I417 I418 E419 I449	V408-K415 HydrophobicContact CG1-CB 4.08Å; R413-K415 VanDerWaalsContact C-N 3.29Å; R413-K415 PolarHBondContact O-N 3.31Å; K415-I417 VanDerWaalsContact C-N 3.3Å; K415-I417 PolarHBondContact O-N 3.07Å; K415-I418 PolarHBondContact O-N 2.86Å; K415-E419 VanDerWaalsContact CE-OE1 3.25Å; K415-E419 WeakPolarHBondContact CE-OE1 3.27Å; K415-E419 HydrophobicContact CG-CG 4.47Å; K415-E419 WeakPolarHBondContact O-CB 3.42Å; K415-E419 VanDerWaalsContact O-CG 3.31Å; K415-E419 WeakPolarHBondContact O-CG 3.37Å; K415-E419 PolarHBondContact O-N 3.24Å; K415-I449 WeakPolarHBondContact CD-O 3.31Å; K415-I449 WeakPolarHBondContact CE-O 3.06Å; K415-I449 HydrophobicContact CG-CG2 4.33Å
416	Q	93.7	Very high	94.4	Very high	123 Å²	123	55.6 Å²	55.6	58%	0.575	28%	0.276	S	S	*	.	H	α-helix	trans	-63.7	-38.5	-178.2	-68.9	175.9	-11.1	0	0	111.4	R413 G414 T420	R413-Q416 PolarHBondContact O-N 3.25Å; R413-Q416 VanDerWaalsContact O-N 3.17Å; G414-Q416 PolarHBondContact O-N 3.31Å; Q416-T420 WeakPolarHBondContact O-CB 2.99Å; Q416-T420 PolarHBondContact O-N 2.85Å; Q416-T420 PolarHBondContact O-OG1 3.36Å
417	I	95.7	Very high	94.4	Very high	18 Å²	18	55 Å²	55	9%	0.092	27%	0.273	C	S	.	.	H	α-helix	trans	-66.1	-50.7	178.2	-65.3	167.3	0	0	0	110.3	T374 Y378 L381 F407 Y411 R413 G414 K415 E419 T420 L421	T374-I417 HydrophobicContact CG2-CD1 4.23Å; Y378-I417 HydrophobicContact CD1-CD1 4.42Å; Y378-I417 HydrophobicContact CD1-CG2 3.84Å; Y378-I417 HydrophobicContact CE1-CD1 3.8Å; Y378-I417 HydrophobicContact CE1-CG1 4.2Å; Y378-I417 HydrophobicContact CE1-CG2 4.07Å; Y378-I417 HydrophobicContact CG-CG2 4.32Å; L381-I417 HydrophobicContact CD1-CG2 3.77Å; F407-I417 HydrophobicContact CE1-CB 4.5Å; F407-I417 HydrophobicContact CE1-CG2 4.47Å; F407-I417 HydrophobicContact CZ-CD1 4.3Å; Y411-I417 HydrophobicContact CD1-CD1 3.94Å; Y411-I417 HydrophobicContact CE1-CD1 3.53Å; R413-I417 HydrophobicContact CB-CD1 4.47Å; R413-I417 PolarHBondContact O-N 3.43Å; G414-I417 PolarHBondContact O-N 2.99Å; K415-I417 VanDerWaalsContact C-N 3.3Å; K415-I417 PolarHBondContact O-N 3.07Å; I417-E419 VanDerWaalsContact C-N 3.31Å; I417-E419 PolarHBondContact O-N 3.2Å; I417-T420 PolarHBondContact O-N 3.22Å; I417-T420 VanDerWaalsContact O-N 3.12Å; I417-L421 HydrophobicContact CG2-CD1 4.03Å; I417-L421 HydrophobicContact CG2-CG 4.5Å; I417-L421 WeakPolarHBondContact O-CG 3.24Å; I417-L421 PolarHBondContact O-N 3.47Å
418	I	96.4	Very high	94.2	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.3	-36.5	178.8	-67.9	-59	0	0	0	111.9	L381 I404 F407 V408 G414 K415 L421 G422 G423	L381-I418 HydrophobicContact CD2-CD1 4.22Å; I404-I418 HydrophobicContact CG2-CD1 4.07Å; I404-I418 HydrophobicContact CG2-CG1 4.11Å; I404-I418 HydrophobicContact CG2-CG2 3.75Å; F407-I418 HydrophobicContact CD1-CD1 4.08Å; F407-I418 HydrophobicContact CD1-CG1 3.96Å; F407-I418 HydrophobicContact CE1-CD1 4.38Å; F407-I418 HydrophobicContact CE1-CG1 4.19Å; V408-I418 HydrophobicContact CG2-CB 4.19Å; V408-I418 HydrophobicContact CG2-CG1 3.64Å; G414-I418 WeakPolarHBondContact O-CG1 3.26Å; G414-I418 PolarHBondContact O-N 3.39Å; K415-I418 PolarHBondContact O-N 2.86Å; I418-L421 PolarHBondContact O-N 2.9Å; I418-G422 PolarHBondContact O-N 3.35Å; I418-G423 PolarHBondContact O-N 3.34Å
419	E	94.4	Very high	94.1	Very high	62 Å²	62	61.6 Å²	61.6	29%	0.29	32%	0.315	S	S	.	.	H	α-helix	trans	-64.2	-40.8	172.8	-77.5	179.2	165	0	0	111.9	K415 I417 G422 K424	K415-E419 VanDerWaalsContact CE-OE1 3.25Å; K415-E419 WeakPolarHBondContact CE-OE1 3.27Å; K415-E419 HydrophobicContact CG-CG 4.47Å; K415-E419 WeakPolarHBondContact O-CB 3.42Å; K415-E419 VanDerWaalsContact O-CG 3.31Å; K415-E419 WeakPolarHBondContact O-CG 3.37Å; K415-E419 PolarHBondContact O-N 3.24Å; I417-E419 VanDerWaalsContact C-N 3.31Å; I417-E419 PolarHBondContact O-N 3.2Å; E419-G422 PolarHBondContact O-N 3.16Å; E419-K424 HydrophobicContact CG-CB 4.09Å; E419-K424 HydrophobicContact CG-CD 3.58Å; E419-K424 VanDerWaalsContact OE1-CD 3.29Å; E419-K424 WeakPolarHBondContact OE1-CD 3.4Å; E419-K424 IonicContact OE1-NZ 2.65Å; E419-K424 PolarHBondContact OE1-NZ 3.39Å
420	T	95.2	Very high	94.2	Very high	123 Å²	123	59.1 Å²	59.1	76%	0.755	31%	0.307	S	S	*	.	H	α-helix	trans	-68.2	-35.1	178	-57.2	0	0	0	0	112.1	Q416 I417 G422	Q416-T420 WeakPolarHBondContact O-CB 2.99Å; Q416-T420 PolarHBondContact O-N 2.85Å; Q416-T420 PolarHBondContact O-OG1 3.36Å; I417-T420 PolarHBondContact O-N 3.22Å; I417-T420 VanDerWaalsContact O-N 3.12Å; T420-G422 PolarHBondContact O-N 3.25Å
421	L	96.2	Very high	94.2	Very high	44 Å²	44	60.3 Å²	60.3	23%	0.23	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-2.4	175.3	-64.8	176.3	0	0	0	113.1	L381 K382 V385 I417 I418 G423	L381-L421 HydrophobicContact CB-CD1 3.69Å; K382-L421 HydrophobicContact CG-CD2 3.9Å; V385-L421 HydrophobicContact CG2-CB 4.19Å; I417-L421 HydrophobicContact CG2-CD1 4.03Å; I417-L421 HydrophobicContact CG2-CG 4.5Å; I417-L421 WeakPolarHBondContact O-CG 3.24Å; I417-L421 PolarHBondContact O-N 3.47Å; I418-L421 PolarHBondContact O-N 2.9Å; L421-G423 PolarHBondContact O-N 3.39Å
422	G	95	Very high	94.1	Very high	25 Å²	25	66.2 Å²	66.2	26%	0.258	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	2.5	-177.6	0	0	0	0	0	114.8	I418 E419 T420 K424 Q425 L426	I418-G422 PolarHBondContact O-N 3.35Å; E419-G422 PolarHBondContact O-N 3.16Å; T420-G422 PolarHBondContact O-N 3.25Å; G422-K424 VanDerWaalsContact C-N 3.3Å; G422-K424 PolarHBondContact O-N 3.23Å; G422-Q425 PolarHBondContact O-N 2.98Å; G422-Q425 PolarHBondContact O-OE1 3.46Å; G422-L426 PolarHBondContact O-N 3.4Å
423	G	95.4	Very high	94.3	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-63.5	-32.6	-175.7	0	0	0	0	0	113.4	I418 L421 Q425 L426 V427	I418-G423 PolarHBondContact O-N 3.34Å; L421-G423 PolarHBondContact O-N 3.39Å; G423-Q425 PolarHBondContact O-N 3.48Å; G423-L426 PolarHBondContact O-N 3.33Å; G423-V427 VanDerWaalsContact O-CG2 3.31Å; G423-V427 WeakPolarHBondContact O-CG2 3.18Å; G423-V427 PolarHBondContact O-N 3.49Å
424	K	92.9	Very high	94.4	Very high	41 Å²	41	61.6 Å²	61.6	18%	0.178	32%	0.323	C	S	.	.	H	α-helix	trans	-61.5	-44	177.5	179.3	-177.1	177.8	-173.5	0	112	E419 G422 L426 V427 M428 L446 I449	E419-K424 HydrophobicContact CG-CB 4.09Å; E419-K424 HydrophobicContact CG-CD 3.58Å; E419-K424 VanDerWaalsContact OE1-CD 3.29Å; E419-K424 WeakPolarHBondContact OE1-CD 3.4Å; E419-K424 IonicContact OE1-NZ 2.65Å; E419-K424 PolarHBondContact OE1-NZ 3.39Å; G422-K424 VanDerWaalsContact C-N 3.3Å; G422-K424 PolarHBondContact O-N 3.23Å; K424-L426 VanDerWaalsContact C-N 3.33Å; K424-V427 PolarHBondContact O-N 2.87Å; K424-M428 HydrophobicContact CG-SD 4.28Å; K424-M428 VanDerWaalsContact O-CG 3.3Å; K424-M428 WeakPolarHBondContact O-CG 3.49Å; K424-M428 PolarHBondContact O-N 3.05Å; K424-L446 HydrophobicContact CG-CD1 4.46Å; K424-I449 HydrophobicContact CD-CG2 4.14Å; K424-I449 HydrophobicContact CG-CG2 4.18Å
425	Q	94.1	Very high	94.6	Very high	113 Å²	113	63.4 Å²	63.4	53%	0.528	33%	0.333	S	S	.	.	H	α-helix	trans	-65.8	-39.7	-179.2	-69.3	77.7	0.5	0	0	110.8	G422 G423 M428 A429	G422-Q425 PolarHBondContact O-N 2.98Å; G422-Q425 PolarHBondContact O-OE1 3.46Å; G423-Q425 PolarHBondContact O-N 3.48Å; Q425-M428 PolarHBondContact O-N 2.75Å; Q425-A429 PolarHBondContact O-N 2.9Å
426	L	95.9	Very high	94.7	Very high	44 Å²	44	63.1 Å²	63.1	23%	0.23	34%	0.339	C	S	.	.	H	α-helix	trans	-64.8	-46.5	175.3	-64	172.9	0	0	0	111.9	V385 V388 E389 G422 G423 K424 M428 A429 L430	V385-L426 HydrophobicContact CG1-CD1 3.81Å; V388-L426 HydrophobicContact CG1-CB 3.76Å; E389-L426 HydrophobicContact CB-CD1 3.77Å; E389-L426 HydrophobicContact CB-CD2 4.28Å; E389-L426 HydrophobicContact CG-CD1 4.36Å; E389-L426 HydrophobicContact CG-CD2 4.23Å; G422-L426 PolarHBondContact O-N 3.4Å; G423-L426 PolarHBondContact O-N 3.33Å; K424-L426 VanDerWaalsContact C-N 3.33Å; L426-M428 VanDerWaalsContact C-N 3.29Å; L426-M428 PolarHBondContact O-N 2.97Å; L426-A429 WeakPolarHBondContact O-CB 3.26Å; L426-A429 PolarHBondContact O-N 3.4Å; L426-A429 VanDerWaalsContact O-N 3.14Å; L426-L430 PolarHBondContact O-N 2.98Å
427	V	95.5	Very high	94.9	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-59.6	-39.9	174.9	172.6	0	0	0	0	111.3	V401 I404 G423 K424 L430 A442 L446	V401-V427 HydrophobicContact CG1-CG1 3.98Å; V401-V427 HydrophobicContact CG1-CG2 4.11Å; V401-V427 HydrophobicContact CG2-CG2 4.47Å; I404-V427 HydrophobicContact CD1-CG2 4.11Å; I404-V427 HydrophobicContact CG2-CG2 4.29Å; G423-V427 VanDerWaalsContact O-CG2 3.31Å; G423-V427 WeakPolarHBondContact O-CG2 3.18Å; G423-V427 PolarHBondContact O-N 3.49Å; K424-V427 PolarHBondContact O-N 2.87Å; V427-L430 PolarHBondContact O-N 3.36Å; V427-A442 HydrophobicContact CG1-CB 4.36Å; V427-L446 HydrophobicContact CG1-CB 4.33Å
428	M	93	Very high	94.9	Very high	90 Å²	90	61.1 Å²	61.1	44%	0.443	33%	0.333	S	S	.	.	H	α-helix	trans	-64	-39.1	175.9	-75.2	179.1	65.8	0	0	112.7	K424 Q425 L426 L430 L431 L446	K424-M428 HydrophobicContact CG-SD 4.28Å; K424-M428 VanDerWaalsContact O-CG 3.3Å; K424-M428 WeakPolarHBondContact O-CG 3.49Å; K424-M428 PolarHBondContact O-N 3.05Å; Q425-M428 PolarHBondContact O-N 2.75Å; L426-M428 VanDerWaalsContact C-N 3.29Å; L426-M428 PolarHBondContact O-N 2.97Å; M428-L430 VanDerWaalsContact C-N 3.26Å; M428-L430 PolarHBondContact O-N 3.36Å; M428-L431 WeakPolarHBondContact O-CB 3.33Å; M428-L431 WeakPolarHBondContact O-CG 3.25Å; M428-L431 PolarHBondContact O-N 3.43Å; M428-L446 HydrophobicContact CG-CD1 3.66Å; M428-L446 HydrophobicContact CG-CD2 3.91Å; M428-L446 HydrophobicContact CG-CG 4.46Å; M428-L446 HydrophobicContact SD-CD1 4.41Å
429	A	94.1	Very high	94.9	Very high	65 Å²	65	66.5 Å²	66.5	54%	0.537	35%	0.353	S	S	.	.	H	α-helix	trans	-62.5	-35.8	177.3	0	0	0	0	0	111.8	Q425 L426 L431 Q432	Q425-A429 PolarHBondContact O-N 2.9Å; L426-A429 WeakPolarHBondContact O-CB 3.26Å; L426-A429 PolarHBondContact O-N 3.4Å; L426-A429 VanDerWaalsContact O-N 3.14Å; A429-L431 PolarHBondContact O-N 2.92Å; A429-Q432 PolarHBondContact O-N 3.32Å
430	L	95.1	Very high	95.1	Very high	20 Å²	20	68.6 Å²	68.6	11%	0.105	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-70.8	-7.9	179.4	-68.6	179.9	0	0	0	114.9	V388 L397 V401 L426 V427 M428 Q432 H433 V438 A442	V388-L430 HydrophobicContact CG1-CD1 3.56Å; L397-L430 HydrophobicContact CD2-CD1 4.43Å; V401-L430 HydrophobicContact CG2-CD1 3.42Å; V401-L430 VanDerWaalsContact CG2-CD1 3.42Å; L426-L430 PolarHBondContact O-N 2.98Å; V427-L430 PolarHBondContact O-N 3.36Å; M428-L430 VanDerWaalsContact C-N 3.26Å; M428-L430 PolarHBondContact O-N 3.36Å; L430-Q432 PolarHBondContact O-N 2.92Å; L430-H433 HydrophobicContact CD2-CB 4.16Å; L430-H433 WeakPolarHBondContact O-CB 3.38Å; L430-H433 PolarHBondContact O-N 3.45Å; L430-H433 VanDerWaalsContact O-N 3.08Å; L430-V438 HydrophobicContact CB-CG1 4.09Å; L430-V438 HydrophobicContact CD1-CG1 4.15Å; L430-V438 HydrophobicContact CD2-CG1 4.08Å; L430-V438 HydrophobicContact CG-CG1 4.35Å; L430-A442 HydrophobicContact CB-CB 3.92Å
431	L	92.8	Very high	95.1	Very high	59 Å²	59	63.4 Å²	63.4	31%	0.309	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-62.3	-21.3	169.1	-65.6	176.7	0	0	0	112.8	M428 A429 R439 A442 L443 L446	M428-L431 WeakPolarHBondContact O-CB 3.33Å; M428-L431 WeakPolarHBondContact O-CG 3.25Å; M428-L431 PolarHBondContact O-N 3.43Å; A429-L431 PolarHBondContact O-N 2.92Å; L431-R439 WeakPolarHBondContact O-CD 3.44Å; L431-R439 WeakPolarHBondContact O-CG 3.45Å; L431-A442 HydrophobicContact CD2-CB 4Å; L431-L443 HydrophobicContact CD2-CB 3.92Å; L431-L443 HydrophobicContact CD2-CD1 4.32Å; L431-L446 HydrophobicContact CD1-CD2 3.76Å
432	Q	92.7	Very high	95.1	Very high	177 Å²	177	61.3 Å²	61.3	83%	0.827	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-102.5	10.1	176.7	-61.6	-176.5	-4.8	0	0	112.8	A429 L430	A429-Q432 PolarHBondContact O-N 3.32Å; L430-Q432 PolarHBondContact O-N 2.92Å
433	H	95.1	Very high	95.1	Very high	48 Å²	48	63.4 Å²	63.4	22%	0.222	32%	0.321	C	S	.	.			trans	-64.5	147.5	179.7	-167.7	-90.6	0	0	0	111.8	L430 D435 V438 R439	L430-H433 HydrophobicContact CD2-CB 4.16Å; L430-H433 WeakPolarHBondContact O-CB 3.38Å; L430-H433 PolarHBondContact O-N 3.45Å; L430-H433 VanDerWaalsContact O-N 3.08Å; H433-D435 VanDerWaalsContact C-N 3.33Å; H433-D435 WeakPolarHBondContact ND1-CB 3.44Å; H433-D435 PolarHBondContact ND1-N 3.1Å; H433-D435 PolarHBondContact O-N 3.06Å; H433-V438 HydrophobicContact CB-CB 4.19Å; H433-V438 HydrophobicContact CB-CG1 3.74Å; H433-R439 HydrophobicContact CB-CG 4.21Å; H433-R439 WeakPolarHBondContact O-CD 3.38Å; H433-R439 WeakPolarHBondContact O-CG 3.31Å; H433-R439 PolarHBondContact O-NE 3.31Å
434	D	94	Very high	95.1	Very high	157 Å²	157	64.6 Å²	64.6	84%	0.84	33%	0.328	S	S	*	.	S	Bend	trans	-65.4	-37.6	-177	-67.4	-36.4	0	0	0	112.2	P436	D434-P436 WeakPolarHBondContact O-CD 3.4Å
435	D	96.4	Very high	95.2	Very high	39 Å²	39	62.6 Å²	62.6	21%	0.209	32%	0.32	C	S	.	.	S	Bend	trans	-72.3	124.7	178	-174.1	-86.7	0	0	0	112.6	P394 H433 N437 V438 R439	P394-D435 HydrophobicContact CB-CB 3.92Å; P394-D435 HydrophobicContact CG-CB 4.27Å; H433-D435 VanDerWaalsContact C-N 3.33Å; H433-D435 WeakPolarHBondContact ND1-CB 3.44Å; H433-D435 PolarHBondContact ND1-N 3.1Å; H433-D435 PolarHBondContact O-N 3.06Å; D435-N437 PolarHBondContact O-N 3.08Å; D435-N437 WeakPolarHBondContact OD1-CA 3.38Å; D435-N437 WeakPolarHBondContact OD1-CB 3.38Å; D435-N437 PolarHBondContact OD1-N 3.11Å; D435-V438 HydrophobicContact CB-CB 4.2Å; D435-V438 HydrophobicContact CB-CG2 3.88Å; D435-V438 PolarHBondContact O-N 3.32Å; D435-V438 PolarHBondContact OD1-N 2.97Å; D435-R439 PolarHBondContact O-N 2.69Å
436	P	96.2	Very high	95.1	Very high	77 Å²	77	57.9 Å²	57.9	50%	0.5	30%	0.298	S	S	.	.	H	α-helix	trans	-62.2	-33.9	178.7	-23.8	34	0	0	0	115.2	D434 R439 Y440	D434-P436 WeakPolarHBondContact O-CD 3.4Å; P436-R439 PolarHBondContact O-N 3.29Å; P436-Y440 WeakPolarHBondContact O-CB 3.47Å; P436-Y440 PolarHBondContact O-N 3.23Å
437	N	96.1	Very high	94.9	Very high	100 Å²	100	57.2 Å²	57.2	54%	0.535	29%	0.294	S	S	.	.	H	α-helix	trans	-70.8	-39.1	179.8	-58.8	-63.8	0	0	0	110.6	D435 Y440 N441	D435-N437 PolarHBondContact O-N 3.08Å; D435-N437 WeakPolarHBondContact OD1-CA 3.38Å; D435-N437 WeakPolarHBondContact OD1-CB 3.38Å; D435-N437 PolarHBondContact OD1-N 3.11Å; N437-Y440 PolarHBondContact O-N 3.36Å; N437-N441 PolarHBondContact O-N 3.43Å; N437-N441 PolarHBondContact O-ND2 3.46Å
438	V	97.3	Very high	94.7	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60.9	-48	174	177.3	0	0	0	0	110.2	P394 L397 S398 L430 H433 D435 Y440 N441 A442	P394-V438 HydrophobicContact CB-CG2 3.93Å; P394-V438 VanDerWaalsContact O-CG2 3.3Å; P394-V438 WeakPolarHBondContact O-CG2 3.47Å; L397-V438 HydrophobicContact CB-CG1 4.34Å; L397-V438 HydrophobicContact CB-CG2 4.02Å; S398-V438 PolarHBondContact OG-N 2.94Å; L430-V438 HydrophobicContact CB-CG1 4.09Å; L430-V438 HydrophobicContact CD1-CG1 4.15Å; L430-V438 HydrophobicContact CD2-CG1 4.08Å; L430-V438 HydrophobicContact CG-CG1 4.35Å; H433-V438 HydrophobicContact CB-CB 4.19Å; H433-V438 HydrophobicContact CB-CG1 3.74Å; D435-V438 HydrophobicContact CB-CB 4.2Å; D435-V438 HydrophobicContact CB-CG2 3.88Å; D435-V438 PolarHBondContact O-N 3.32Å; D435-V438 PolarHBondContact OD1-N 2.97Å; V438-Y440 VanDerWaalsContact C-N 3.34Å; V438-Y440 PolarHBondContact O-N 2.91Å; V438-N441 PolarHBondContact O-N 2.96Å; V438-A442 VanDerWaalsContact O-CB 3.27Å; V438-A442 WeakPolarHBondContact O-CB 3.35Å; V438-A442 PolarHBondContact O-N 3.46Å
439	R	96.7	Very high	94.6	Very high	112 Å²	112	54 Å²	54	42%	0.423	28%	0.277	S	S	.	.	H	α-helix	trans	-60	-42.9	176.9	-70.9	-170.8	-68.8	170.7	2.1	112.8	L431 H433 D435 P436 A442 L443	L431-R439 WeakPolarHBondContact O-CD 3.44Å; L431-R439 WeakPolarHBondContact O-CG 3.45Å; H433-R439 HydrophobicContact CB-CG 4.21Å; H433-R439 WeakPolarHBondContact O-CD 3.38Å; H433-R439 WeakPolarHBondContact O-CG 3.31Å; H433-R439 PolarHBondContact O-NE 3.31Å; D435-R439 PolarHBondContact O-N 2.69Å; P436-R439 PolarHBondContact O-N 3.29Å; R439-A442 PolarHBondContact O-N 3.35Å; R439-L443 WeakPolarHBondContact O-CB 3.34Å; R439-L443 PolarHBondContact O-N 3.29Å
440	Y	96.8	Very high	94.1	Very high	106 Å²	106	56.2 Å²	56.2	42%	0.416	28%	0.278	S	S	.	.	H	α-helix	trans	-61.2	-50.7	178	174.3	-95.9	0	0	0	111.3	P436 N437 V438 A442 L443 V444	P436-Y440 WeakPolarHBondContact O-CB 3.47Å; P436-Y440 PolarHBondContact O-N 3.23Å; N437-Y440 PolarHBondContact O-N 3.36Å; V438-Y440 VanDerWaalsContact C-N 3.34Å; V438-Y440 PolarHBondContact O-N 2.91Å; Y440-A442 VanDerWaalsContact C-N 3.33Å; Y440-A442 PolarHBondContact O-N 3.07Å; Y440-L443 PolarHBondContact O-N 3.3Å; Y440-V444 HydrophobicContact CD1-CG2 4.4Å; Y440-V444 HydrophobicContact CE1-CG2 3.98Å; Y440-V444 HydrophobicContact CE2-CG2 4.15Å; Y440-V444 WeakPolarHBondContact O-CG2 3.45Å; Y440-V444 PolarHBondContact O-N 3.34Å
441	N	97	Very high	92.7	Very high	15 Å²	15	58.2 Å²	58.2	8%	0.08	29%	0.291	C	S	.	.	H	α-helix	trans	-65.8	-36.1	179.2	-74.7	-69.1	0	0	0	111.9	S398 N437 V438 V444 S445	S398-N441 WeakPolarHBondContact O-CB 3.4Å; N437-N441 PolarHBondContact O-N 3.43Å; N437-N441 PolarHBondContact O-ND2 3.46Å; V438-N441 PolarHBondContact O-N 2.96Å; N441-V444 PolarHBondContact O-N 3.19Å; N441-S445 WeakPolarHBondContact O-CB 3.26Å; N441-S445 PolarHBondContact O-N 2.86Å
442	A	95.9	Very high	91	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-61.1	-43.9	171.9	0	0	0	0	0	112.7	V401 V427 L430 L431 V438 R439 Y440 L446	V401-A442 HydrophobicContact CG1-CB 4.03Å; V427-A442 HydrophobicContact CG1-CB 4.36Å; L430-A442 HydrophobicContact CB-CB 3.92Å; L431-A442 HydrophobicContact CD2-CB 4Å; V438-A442 VanDerWaalsContact O-CB 3.27Å; V438-A442 WeakPolarHBondContact O-CB 3.35Å; V438-A442 PolarHBondContact O-N 3.46Å; R439-A442 PolarHBondContact O-N 3.35Å; Y440-A442 VanDerWaalsContact C-N 3.33Å; Y440-A442 PolarHBondContact O-N 3.07Å; A442-L446 VanDerWaalsContact O-CB 3.23Å; A442-L446 WeakPolarHBondContact O-CB 3.17Å; A442-L446 PolarHBondContact O-N 3.49Å
443	L	95	Very high	89	Confident	68 Å²	68	62.1 Å²	62.1	36%	0.356	31%	0.311	S	S	.	.	H	α-helix	trans	-63.4	-49	176.1	-179.4	63.9	0	0	0	111.6	L431 R439 Y440 S445 L446 Q447	L431-L443 HydrophobicContact CD2-CB 3.92Å; L431-L443 HydrophobicContact CD2-CD1 4.32Å; R439-L443 WeakPolarHBondContact O-CB 3.34Å; R439-L443 PolarHBondContact O-N 3.29Å; Y440-L443 PolarHBondContact O-N 3.3Å; L443-S445 VanDerWaalsContact C-N 3.35Å; L443-S445 PolarHBondContact O-N 3.46Å; L443-L446 PolarHBondContact O-N 2.96Å; L443-Q447 VanDerWaalsContact O-CG 3.3Å; L443-Q447 WeakPolarHBondContact O-CG 3.35Å; L443-Q447 PolarHBondContact O-N 3.02Å
444	V	94.5	Very high	87.1	Confident	25 Å²	25	63.4 Å²	63.4	15%	0.152	31%	0.314	C	S	.	.	H	α-helix	trans	-61.5	-44	179.1	171.5	0	0	0	0	111	Y440 N441 Q447 K448	Y440-V444 HydrophobicContact CD1-CG2 4.4Å; Y440-V444 HydrophobicContact CE1-CG2 3.98Å; Y440-V444 HydrophobicContact CE2-CG2 4.15Å; Y440-V444 WeakPolarHBondContact O-CG2 3.45Å; Y440-V444 PolarHBondContact O-N 3.34Å; N441-V444 PolarHBondContact O-N 3.19Å; V444-Q447 PolarHBondContact O-N 3.3Å; V444-K448 WeakPolarHBondContact O-CG 3.22Å; V444-K448 PolarHBondContact O-N 3.21Å
445	S	95	Very high	85.1	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-62.1	-46	176.1	-174.1	0	0	0	0	111.5	V401 G405 N441 L443 Q447 K448 I449	V401-S445 WeakPolarHBondContact O-CB 3.47Å; V401-S445 PolarHBondContact O-OG 3.29Å; G405-S445 WeakPolarHBondContact CA-OG 3.43Å; G405-S445 PolarHBondContact N-OG 2.95Å; N441-S445 WeakPolarHBondContact O-CB 3.26Å; N441-S445 PolarHBondContact O-N 2.86Å; L443-S445 VanDerWaalsContact C-N 3.35Å; L443-S445 PolarHBondContact O-N 3.46Å; S445-Q447 VanDerWaalsContact C-N 3.31Å; S445-Q447 PolarHBondContact O-N 3.4Å; S445-K448 WeakPolarHBondContact O-CB 3.39Å; S445-K448 PolarHBondContact O-N 3.13Å; S445-K448 VanDerWaalsContact O-N 3.1Å; S445-I449 VanDerWaalsContact O-CG1 3.31Å; S445-I449 WeakPolarHBondContact O-CG1 3.48Å; S445-I449 PolarHBondContact O-N 3.21Å
446	L	92.5	Very high	82.8	Confident	14 Å²	14	69.6 Å²	69.6	7%	0.073	33%	0.329	C	S	.	.	H	α-helix	trans	-63.7	-35.7	178.4	-170.4	64.9	0	0	0	112.5	K424 V427 M428 L431 A442 L443 I449 M450	K424-L446 HydrophobicContact CG-CD1 4.46Å; V427-L446 HydrophobicContact CG1-CB 4.33Å; M428-L446 HydrophobicContact CG-CD1 3.66Å; M428-L446 HydrophobicContact CG-CD2 3.91Å; M428-L446 HydrophobicContact CG-CG 4.46Å; M428-L446 HydrophobicContact SD-CD1 4.41Å; L431-L446 HydrophobicContact CD1-CD2 3.76Å; A442-L446 VanDerWaalsContact O-CB 3.23Å; A442-L446 WeakPolarHBondContact O-CB 3.17Å; A442-L446 PolarHBondContact O-N 3.49Å; L443-L446 PolarHBondContact O-N 2.96Å; L446-I449 PolarHBondContact O-N 2.96Å; L446-I449 VanDerWaalsContact O-N 3.16Å; L446-M450 HydrophobicContact CD1-CG 3.92Å; L446-M450 HydrophobicContact CD1-SD 3.82Å; L446-M450 HydrophobicContact CD2-SD 3.98Å; L446-M450 HydrophobicContact CG-CG 4.06Å; L446-M450 HydrophobicContact CG-SD 3.67Å; L446-M450 WeakPolarHBondContact O-CB 3.19Å; L446-M450 WeakPolarHBondContact O-CG 3.5Å; L446-M450 PolarHBondContact O-N 3.29Å
447	Q	91.2	Very high	80.6	Confident	30 Å²	30	68.6 Å²	68.6	14%	0.14	32%	0.32	C	S	.	.	H	α-helix	trans	-60.5	-44.4	172.8	-72.2	172.7	10.2	0	0	111.6	L443 V444 S445 I449 M450 V451 L457	L443-Q447 VanDerWaalsContact O-CG 3.3Å; L443-Q447 WeakPolarHBondContact O-CG 3.35Å; L443-Q447 PolarHBondContact O-N 3.02Å; V444-Q447 PolarHBondContact O-N 3.3Å; S445-Q447 VanDerWaalsContact C-N 3.31Å; S445-Q447 PolarHBondContact O-N 3.4Å; Q447-I449 VanDerWaalsContact C-N 3.26Å; Q447-I449 PolarHBondContact O-N 3.47Å; Q447-M450 PolarHBondContact O-N 3.14Å; Q447-V451 WeakPolarHBondContact O-CB 3.34Å; Q447-V451 PolarHBondContact O-N 2.85Å; Q447-L457 VanDerWaalsContact CD-CD2 3.48Å; Q447-L457 HydrophobicContact CG-CD2 3.93Å
448	K	91.8	Very high	78.5	Confident	18 Å²	18	65.2 Å²	65.2	8%	0.078	31%	0.308	C	S	.	.	H	α-helix	trans	-62.4	-33.2	174.3	-64.2	170	-169.5	171.6	0	111.9	G405 E406 V444 S445	G405-K448 WeakPolarHBondContact O-CD 3.13Å; E406-K448 WeakPolarHBondContact OE1-CE 3.41Å; E406-K448 IonicContact OE1-NZ 3.38Å; E406-K448 PolarHBondContact OE1-NZ 2.64Å; V444-K448 WeakPolarHBondContact O-CG 3.22Å; V444-K448 PolarHBondContact O-N 3.21Å; S445-K448 WeakPolarHBondContact O-CB 3.39Å; S445-K448 PolarHBondContact O-N 3.13Å; S445-K448 VanDerWaalsContact O-N 3.1Å
449	I	89.8	Confident	76.3	Confident	3 Å²	3	73.1 Å²	73.1	2%	0.015	34%	0.343	C	S	.	.	H	α-helix	trans	-75.9	-38.4	177.9	-64.1	165.6	0	0	0	112.6	I404 V408 K415 K424 S445 L446 Q447	I404-I449 HydrophobicContact CG2-CD1 4.15Å; V408-I449 HydrophobicContact CB-CG1 4.39Å; V408-I449 HydrophobicContact CG1-CG1 4.32Å; V408-I449 HydrophobicContact CG2-CG1 4.15Å; K415-I449 WeakPolarHBondContact CD-O 3.31Å; K415-I449 WeakPolarHBondContact CE-O 3.06Å; K415-I449 HydrophobicContact CG-CG2 4.33Å; K424-I449 HydrophobicContact CD-CG2 4.14Å; K424-I449 HydrophobicContact CG-CG2 4.18Å; S445-I449 VanDerWaalsContact O-CG1 3.31Å; S445-I449 WeakPolarHBondContact O-CG1 3.48Å; S445-I449 PolarHBondContact O-N 3.21Å; L446-I449 PolarHBondContact O-N 2.96Å; L446-I449 VanDerWaalsContact O-N 3.16Å; Q447-I449 VanDerWaalsContact C-N 3.26Å; Q447-I449 PolarHBondContact O-N 3.47Å
450	M	83.5	Confident	74	Confident	113 Å²	113	73.3 Å²	73.3	56%	0.557	35%	0.348	S	S	*	.	H	α-helix	trans	-92.8	-27.4	-169.1	-70.2	-171.5	66.2	0	0	114.4	L446 Q447	L446-M450 HydrophobicContact CD1-CG 3.92Å; L446-M450 HydrophobicContact CD1-SD 3.82Å; L446-M450 HydrophobicContact CD2-SD 3.98Å; L446-M450 HydrophobicContact CG-CG 4.06Å; L446-M450 HydrophobicContact CG-SD 3.67Å; L446-M450 WeakPolarHBondContact O-CB 3.19Å; L446-M450 WeakPolarHBondContact O-CG 3.5Å; L446-M450 PolarHBondContact O-N 3.29Å; Q447-M450 PolarHBondContact O-N 3.14Å
451	V	66.8	Low	71.8	Confident	61 Å²	61	70.3 Å²	70.3	37%	0.37	34%	0.339	S	S	.	.			trans	-115.2	130.7	-168	-171.5	0	0	0	0	110.8	Q447 N453	Q447-V451 WeakPolarHBondContact O-CB 3.34Å; Q447-V451 PolarHBondContact O-N 2.85Å; V451-N453 VanDerWaalsContact C-N 3.3Å; V451-N453 PolarHBondContact O-N 3.37Å
452	H	56.7	Low	69.6	Low	194 Å²	194	74.5 Å²	74.5	90%	0.898	36%	0.362	S	S	*	.	S	Bend	trans	-70.3	-23.1	174.8	-99.6	-28.3	0	0	0	113.6
453	N	51.8	Low	67.4	Low	124 Å²	124	77 Å²	77	66%	0.663	38%	0.379	S	S	*	.			trans	-125.6	73.3	-177.8	-72.7	-14	0	0	0	112.5	V451	V451-N453 VanDerWaalsContact C-N 3.3Å; V451-N453 PolarHBondContact O-N 3.37Å
454	W	53.4	Low	64.9	Low	76 Å²	76	80.2 Å²	80.2	29%	0.288	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-25.1	-173.1	75.4	-84.6	0	0	0	115	Y456 L457	W454-Y456 PolarHBondContact O-N 3.42Å; W454-L457 PolarHBondContact O-N 3.33Å
455	E	53.1	Low	62.6	Low	135 Å²	135	85 Å²	85	63%	0.631	41%	0.411	S	S	*	.	H	α-helix	trans	-55.8	-26.3	-177.9	-68.5	-179.3	174.4	0	0	114
456	Y	47.5	Very low	60.2	Low	190 Å²	190	88 Å²	88	75%	0.745	43%	0.433	S	S	*	.	H	α-helix	trans	-76.8	-22	179.6	-95.5	-90.7	0	0	0	113.8	W454	W454-Y456 PolarHBondContact O-N 3.42Å
457	L	49.9	Very low	57.8	Low	57 Å²	57	91.3 Å²	91.3	30%	0.298	45%	0.453	S	S	.	.	H	α-helix	trans	-87.7	-35.6	-178.2	-107.5	93	0	0	0	113.7	Q447 W454 K459 Q460 L461	Q447-L457 VanDerWaalsContact CD-CD2 3.48Å; Q447-L457 HydrophobicContact CG-CD2 3.93Å; W454-L457 PolarHBondContact O-N 3.33Å; L457-K459 PolarHBondContact O-N 2.95Å; L457-Q460 WeakPolarHBondContact O-CB 3.46Å; L457-Q460 PolarHBondContact O-N 3.24Å; L457-L461 PolarHBondContact O-N 2.86Å
458	G	52	Low	55.2	Low	28 Å²	28	96 Å²	96	29%	0.289	48%	0.479	S	S	.	.	H	α-helix	trans	-56.2	-39.1	179.1	0	0	0	0	0	112.3	Q460 L461 D462	G458-Q460 VanDerWaalsContact C-N 3.26Å; G458-Q460 PolarHBondContact O-N 3.38Å; G458-L461 PolarHBondContact O-N 3.39Å; G458-L461 VanDerWaalsContact O-N 3.11Å; G458-D462 PolarHBondContact O-N 2.88Å
459	K	52	Low	52.7	Low	166 Å²	166	100.5 Å²	100.5	72%	0.722	51%	0.508	S	S	*	.	H	α-helix	trans	-64.1	-25.1	175.4	-67	-179.3	179.7	173.7	0	114	L457	L457-K459 PolarHBondContact O-N 2.95Å
460	Q	47.5	Very low	50.2	Low	116 Å²	116	109.2 Å²	109.2	54%	0.542	55%	0.546	S	S	.	.	H	α-helix	trans	-78.9	-30.4	174.5	-69.8	-174.7	-22.9	0	0	111.7	L457 G458 S463 F464	L457-Q460 WeakPolarHBondContact O-CB 3.46Å; L457-Q460 PolarHBondContact O-N 3.24Å; G458-Q460 VanDerWaalsContact C-N 3.26Å; G458-Q460 PolarHBondContact O-N 3.38Å; Q460-S463 WeakPolarHBondContact O-CB 3.21Å; Q460-S463 PolarHBondContact O-N 2.88Å; Q460-S463 PolarHBondContact O-OG 2.99Å; Q460-F464 WeakPolarHBondContact O-CD2 3.47Å; Q460-F464 PolarHBondContact O-N 3.48Å
461	L	50	Low	47.9	Very low	43 Å²	43	108.3 Å²	108.3	23%	0.225	55%	0.55	C	S	.	*	H	α-helix	trans	-77.3	-37.5	-179.8	-72.3	168.3	0	0	0	113.1	L457 G458 S463 F464 Q465	L457-L461 PolarHBondContact O-N 2.86Å; G458-L461 PolarHBondContact O-N 3.39Å; G458-L461 VanDerWaalsContact O-N 3.11Å; L461-S463 PolarHBondContact O-N 2.82Å; L461-F464 HydrophobicContact CD2-CD2 4.46Å; L461-F464 PolarHBondContact O-N 3.46Å; L461-Q465 PolarHBondContact O-N 3.31Å; L461-Q465 VanDerWaalsContact O-N 3.09Å
462	D	51.9	Low	46.4	Very low	103 Å²	103	111.3 Å²	111.3	55%	0.551	57%	0.569	S	S	*	*	H	α-helix	trans	-60	-28.8	170	-69.5	-21.2	0	0	0	111.3	G458 S466	G458-D462 PolarHBondContact O-N 2.88Å; D462-S466 WeakPolarHBondContact O-CB 3.49Å; D462-S466 PolarHBondContact O-N 3.12Å; D462-S466 VanDerWaalsContact O-N 3.08Å; D462-S466 PolarHBondContact O-OG 2.94Å
463	S	48.6	Very low	45.3	Very low	53 Å²	53	105.1 Å²	105.1	37%	0.371	56%	0.558	S	S	.	*	H	α-helix	trans	-69.3	-33.3	172.9	87.5	0	0	0	0	112.9	Q460 L461 S466 T467	Q460-S463 WeakPolarHBondContact O-CB 3.21Å; Q460-S463 PolarHBondContact O-N 2.88Å; Q460-S463 PolarHBondContact O-OG 2.99Å; L461-S463 PolarHBondContact O-N 2.82Å; S463-S466 WeakPolarHBondContact CA-OG 3.39Å; S463-S466 PolarHBondContact O-OG 3.33Å; S463-T467 WeakPolarHBondContact O-CG2 3.38Å; S463-T467 PolarHBondContact O-N 3.31Å; S463-T467 VanDerWaalsContact O-N 3.08Å; S463-T467 PolarHBondContact O-OG1 3.12Å; S463-T467 VanDerWaalsContact O-OG1 3.06Å
464	F	43.8	Very low	44.6	Very low	136 Å²	136	105.2 Å²	105.2	60%	0.596	56%	0.563	S	S	*	*	H	α-helix	trans	-72.8	-41.2	175.2	-77.3	-74.3	0	0	0	112.5	Q460 L461 S466 T467	Q460-F464 WeakPolarHBondContact O-CD2 3.47Å; Q460-F464 PolarHBondContact O-N 3.48Å; L461-F464 HydrophobicContact CD2-CD2 4.46Å; L461-F464 PolarHBondContact O-N 3.46Å; F464-S466 VanDerWaalsContact C-N 3.29Å; F464-S466 PolarHBondContact O-N 3.41Å; F464-T467 WeakPolarHBondContact CA-OG1 3.45Å; F464-T467 PolarHBondContact O-N 3.35Å; F464-T467 PolarHBondContact O-OG1 3.47Å
465	Q	45.7	Very low	43.6	Very low	124 Å²	124	111.4 Å²	111.4	58%	0.579	59%	0.591	S	S	*	*	H	α-helix	trans	-66.8	-30.5	175.2	-70.5	-172.6	-4.7	0	0	112.5	L461	L461-Q465 PolarHBondContact O-N 3.31Å; L461-Q465 VanDerWaalsContact O-N 3.09Å
466	S	44.2	Very low	42.8	Very low	65 Å²	65	111.1 Å²	111.1	46%	0.455	60%	0.599	S	S	.	*	H	α-helix	trans	-82.6	-19.6	176.8	52.5	0	0	0	0	114.1	D462 S463 F464	D462-S466 WeakPolarHBondContact O-CB 3.49Å; D462-S466 PolarHBondContact O-N 3.12Å; D462-S466 VanDerWaalsContact O-N 3.08Å; D462-S466 PolarHBondContact O-OG 2.94Å; S463-S466 WeakPolarHBondContact CA-OG 3.39Å; S463-S466 PolarHBondContact O-OG 3.33Å; F464-S466 VanDerWaalsContact C-N 3.29Å; F464-S466 PolarHBondContact O-N 3.41Å
467	T	41.9	Very low	42.6	Very low	82 Å²	82	115 Å²	115	50%	0.503	62%	0.62	S	S	.	*	H	α-helix	trans	-76.2	-30.1	174.1	42.3	0	0	0	0	114.1	S463 F464 V469 K470	S463-T467 WeakPolarHBondContact O-CG2 3.38Å; S463-T467 PolarHBondContact O-N 3.31Å; S463-T467 VanDerWaalsContact O-N 3.08Å; S463-T467 PolarHBondContact O-OG1 3.12Å; S463-T467 VanDerWaalsContact O-OG1 3.06Å; F464-T467 WeakPolarHBondContact CA-OG1 3.45Å; F464-T467 PolarHBondContact O-N 3.35Å; F464-T467 PolarHBondContact O-OG1 3.47Å; T467-V469 PolarHBondContact O-N 2.92Å; T467-K470 PolarHBondContact O-N 3.38Å
468	D	38.3	Very low	42.2	Very low	129 Å²	129	117.9 Å²	117.9	69%	0.69	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-19.6	177.5	-80.9	-23.6	0	0	0	113.1
469	V	39	Very low	41.7	Very low	112 Å²	112	122.6 Å²	122.6	68%	0.679	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-18.1	178.7	-175.4	0	0	0	0	112.7	T467	T467-V469 PolarHBondContact O-N 2.92Å
470	K	37.4	Very low	41.1	Very low	186 Å²	186	120.2 Å²	120.2	81%	0.809	65%	0.65	S	S	*	*	S	Bend	trans	-103.9	0.8	-171.9	-72.6	-170.9	-179.9	177.3	0	115.9	T467	T467-K470 PolarHBondContact O-N 3.38Å
471	S	35.1	Very low	40.7	Very low	94 Å²	94	120.5 Å²	120.5	66%	0.657	66%	0.656	S	S	*	*	S	Bend	trans	-93.3	-0	-177.3	61.2	0	0	0	0	115.3	G473	S471-G473 PolarHBondContact O-N 3.21Å
472	T	33.7	Very low	40.2	Very low	125 Å²	125	125.3 Å²	125.3	77%	0.767	68%	0.683	S	S	*	*			trans	-98.9	57.9	175.8	51	0	0	0	0	112.5
473	G	34.6	Very low	39.4	Very low	64 Å²	64	126.8 Å²	126.8	66%	0.66	69%	0.692	S	S	*	*			trans	-116.5	55.7	174.5	0	0	0	0	0	112.2	S471 K475	S471-G473 PolarHBondContact O-N 3.21Å; G473-K475 PolarHBondContact O-N 3.32Å
474	V	36.4	Very low	38.7	Very low	125 Å²	125	132.1 Å²	132.1	76%	0.758	72%	0.715	S	S	*	*			trans	-69.7	102.4	177.3	-176.5	0	0	0	0	109.2	V476	V474-V476 HydrophobicContact CG1-CG2 3.61Å; V474-V476 PolarHBondContact O-N 3.44Å
475	K	32.8	Very low	38.3	Very low	206 Å²	206	131.8 Å²	131.8	90%	0.896	72%	0.724	S	S	*	*			trans	-83.8	96	161.7	-77.7	-173.9	176.3	-179.7	0	108.4	G473	G473-K475 PolarHBondContact O-N 3.32Å
476	V	36.8	Very low	37.7	Very low	129 Å²	129	132.4 Å²	132.4	78%	0.782	74%	0.736	S	S	*	*			trans	-74.1	125.2	165.5	-174.9	0	0	0	0	107.8	V474	V474-V476 HydrophobicContact CG1-CG2 3.61Å; V474-V476 PolarHBondContact O-N 3.44Å
477	K	42.7	Very low	37.1	Very low	272 Å²	272	138.5 Å²	138.5	100%	1.183	76%	0.762	S	S	*	*			trans	-79.6	0	166.1	-97.6	-173.5	175	-178.7	0	110.2

Retrieved 477 of 477 residues in 719.2 ms (Link to these results)

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