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Lipase 1

Could be a digestive enzyme.

AlphaFold DB , UniProt , Accession O46107, Species DROME (Drosophila melanogaster, Fruit fly), Gene Lip1, Length 439 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	42.1	Very low	54.1	Low	199 Å²	199	101.7 Å²	101.7	98%	0.98	50%	0.502	S	S	*	.				0	-55.9	0	-76.5	174.2	74.4	0	0	113.9	C3 S4	M1-C3 VanDerWaalsContact C-N 3.33Å; M1-C3 PolarHBondContact O-N 3.33Å; M1-S4 WeakPolarHBondContact O-CB 3.43Å; M1-S4 PolarHBondContact O-N 3.07Å
2	R	40.5	Very low	54.8	Low	235 Å²	235	95.3 Å²	95.3	89%	0.887	47%	0.471	S	S	*	.	H	α-helix	trans	-55.6	-34.6	-177.2	-72.2	-177.8	178.7	178.3	-1.2	116	S4	R2-S4 VanDerWaalsContact C-N 3.35Å; R2-S4 PolarHBondContact O-N 3.5Å
3	C	47.5	Very low	55.5	Low	115 Å²	115	89.4 Å²	89.4	78%	0.777	44%	0.442	S	S	*	.	H	α-helix	trans	-66.6	-31.9	174.8	-96.4	0	0	0	0	113.8	M1 M7	M1-C3 VanDerWaalsContact C-N 3.33Å; M1-C3 PolarHBondContact O-N 3.33Å; C3-M7 PolarHBondContact O-N 3.34Å
4	S	55.9	Low	55.7	Low	70 Å²	70	85.3 Å²	85.3	49%	0.49	43%	0.434	S	S	.	.	H	α-helix	trans	-72.6	-43.1	-176.3	169.2	0	0	0	0	111.4	M1 R2 R6 M7 Q8	M1-S4 WeakPolarHBondContact O-CB 3.43Å; M1-S4 PolarHBondContact O-N 3.07Å; R2-S4 VanDerWaalsContact C-N 3.35Å; R2-S4 PolarHBondContact O-N 3.5Å; S4-R6 PolarHBondContact O-N 3.43Å; S4-M7 PolarHBondContact O-N 3.22Å; S4-Q8 WeakPolarHBondContact O-CG 3.4Å; S4-Q8 PolarHBondContact O-N 3.44Å
5	L	52.5	Low	55.8	Low	31 Å²	31	84.5 Å²	84.5	16%	0.162	43%	0.431	C	S	.	.	H	α-helix	trans	-68.9	-31.8	178.6	-77.6	107.7	0	0	0	113.7	M7 Q8 L9 Y237 E277	L5-M7 VanDerWaalsContact C-N 3.32Å; L5-M7 PolarHBondContact O-N 2.83Å; L5-Q8 PolarHBondContact O-N 3.3Å; L5-L9 PolarHBondContact O-N 3.41Å; L5-Y237 VanDerWaalsContact CB-OH 3.27Å; L5-Y237 WeakPolarHBondContact CB-OH 3.48Å; L5-E277 HydrophobicContact CD2-CB 4.14Å
6	R	59.6	Low	56.2	Low	106 Å²	106	80.3 Å²	80.3	40%	0.4	41%	0.411	S	S	.	.	H	α-helix	trans	-63.8	-38.7	175.4	-172.2	179.8	179.1	-168.9	-1.4	111.8	S4 L10	S4-R6 PolarHBondContact O-N 3.43Å; R6-L10 PolarHBondContact O-N 3.33Å
7	M	55.7	Low	56.2	Low	125 Å²	125	76.8 Å²	76.8	62%	0.616	39%	0.394	S	S	*	.	H	α-helix	trans	-65.6	-40.3	173.9	-106	-176.8	75.3	0	0	111.4	C3 S4 L5 L10 L11	C3-M7 PolarHBondContact O-N 3.34Å; S4-M7 PolarHBondContact O-N 3.22Å; L5-M7 VanDerWaalsContact C-N 3.32Å; L5-M7 PolarHBondContact O-N 2.83Å; M7-L10 PolarHBondContact O-N 2.89Å; M7-L11 HydrophobicContact CB-CD1 4.48Å; M7-L11 HydrophobicContact CE-CD1 4.12Å; M7-L11 WeakPolarHBondContact O-CB 3.3Å; M7-L11 WeakPolarHBondContact O-CD1 3.38Å; M7-L11 WeakPolarHBondContact O-CG 3.42Å; M7-L11 PolarHBondContact O-N 2.92Å
8	Q	60.4	Low	56	Low	62 Å²	62	79.5 Å²	79.5	29%	0.29	40%	0.403	S	S	.	.	H	α-helix	trans	-61.8	-43.8	-179.3	-73	170.3	-25	0	0	112.9	S4 L5 L11 L12 L274	S4-Q8 WeakPolarHBondContact O-CG 3.4Å; S4-Q8 PolarHBondContact O-N 3.44Å; L5-Q8 PolarHBondContact O-N 3.3Å; Q8-L11 PolarHBondContact O-N 3.45Å; Q8-L12 WeakPolarHBondContact O-CB 3.46Å; Q8-L12 WeakPolarHBondContact O-CG 3.47Å; Q8-L12 PolarHBondContact O-N 3.39Å; Q8-L274 HydrophobicContact CG-CD2 4.44Å; Q8-L274 VanDerWaalsContact NE2-CD2 3.32Å
9	L	61.3	Low	56	Low	12 Å²	12	77.2 Å²	77.2	6%	0.063	39%	0.391	C	S	.	.	H	α-helix	trans	-65.3	-42.9	177.2	-178.2	68.6	0	0	0	112.2	L5 L11 L12 L13 Y237 I241 A278 I282	L5-L9 PolarHBondContact O-N 3.41Å; L9-L11 VanDerWaalsContact C-N 3.32Å; L9-L11 PolarHBondContact O-N 3.14Å; L9-L12 PolarHBondContact O-N 2.99Å; L9-L13 HydrophobicContact CD1-CD1 4.43Å; L9-L13 HydrophobicContact CD1-CG 4.43Å; L9-L13 HydrophobicContact CG-CD1 4.07Å; L9-L13 HydrophobicContact CG-CG 4.46Å; L9-L13 WeakPolarHBondContact O-CB 3.44Å; L9-L13 WeakPolarHBondContact O-CG 3.38Å; L9-L13 PolarHBondContact O-N 3.03Å; L9-Y237 HydrophobicContact CB-CD1 4.35Å; L9-Y237 HydrophobicContact CB-CE1 4.31Å; L9-Y237 HydrophobicContact CD2-CD1 3.54Å; L9-Y237 HydrophobicContact CD2-CE1 4.25Å; L9-Y237 HydrophobicContact CD2-CG 4.48Å; L9-I241 HydrophobicContact CD2-CD1 4.23Å; L9-I241 HydrophobicContact CD2-CG1 4.34Å; L9-A278 HydrophobicContact CD1-CB 3.68Å; L9-I282 HydrophobicContact CD2-CG2 3.95Å
10	L	62.6	Low	55.8	Low	67 Å²	67	75.6 Å²	75.6	35%	0.351	39%	0.387	S	S	.	.	H	α-helix	trans	-65.5	-36.5	177.2	-76.9	169.2	0	0	0	111.8	R6 M7 G14 A240	R6-L10 PolarHBondContact O-N 3.33Å; M7-L10 PolarHBondContact O-N 2.89Å; L10-G14 PolarHBondContact O-N 3.45Å; L10-A240 HydrophobicContact CD1-CB 4.42Å; L10-A240 HydrophobicContact CD2-CB 4.23Å; L10-A240 HydrophobicContact CG-CB 4.34Å
11	L	56.8	Low	55.7	Low	97 Å²	97	79.4 Å²	79.4	51%	0.508	40%	0.397	S	S	.	.	H	α-helix	trans	-63.4	-46.9	172.6	-85.7	155.9	0	0	0	111.3	M7 Q8 L9 G14 L15	M7-L11 HydrophobicContact CB-CD1 4.48Å; M7-L11 HydrophobicContact CE-CD1 4.12Å; M7-L11 WeakPolarHBondContact O-CB 3.3Å; M7-L11 WeakPolarHBondContact O-CD1 3.38Å; M7-L11 WeakPolarHBondContact O-CG 3.42Å; M7-L11 PolarHBondContact O-N 2.92Å; Q8-L11 PolarHBondContact O-N 3.45Å; L9-L11 VanDerWaalsContact C-N 3.32Å; L9-L11 PolarHBondContact O-N 3.14Å; L11-G14 CarbonylContact O-C 3.57Å; L11-G14 PolarHBondContact O-N 3.08Å; L11-L15 WeakPolarHBondContact O-CB 3.42Å; L11-L15 WeakPolarHBondContact O-CG 3.07Å; L11-L15 PolarHBondContact O-N 3.09Å
12	L	62.3	Low	56	Low	24 Å²	24	72.9 Å²	72.9	13%	0.126	37%	0.365	C	S	.	.	H	α-helix	trans	-62.6	-46	177.3	-79.8	162.6	0	0	0	112.2	Q8 L9 G14 L15 C16 L264 A278	Q8-L12 WeakPolarHBondContact O-CB 3.46Å; Q8-L12 WeakPolarHBondContact O-CG 3.47Å; Q8-L12 PolarHBondContact O-N 3.39Å; L9-L12 PolarHBondContact O-N 2.99Å; L12-G14 VanDerWaalsContact C-N 3.31Å; L12-G14 PolarHBondContact O-N 3.26Å; L12-L15 PolarHBondContact O-N 2.94Å; L12-C16 PolarHBondContact O-N 3.36Å; L12-C16 PolarHBondContact O-SG 2.98Å; L12-L264 HydrophobicContact CD2-CD1 4.41Å; L12-A278 HydrophobicContact CD1-CB 3.52Å
13	L	64.8	Low	56.2	Low	19 Å²	19	66.5 Å²	66.5	10%	0.099	35%	0.346	C	S	.	.	H	α-helix	trans	-62.8	-39.5	174	-71.8	171.1	0	0	0	111.4	L9 C16 V17 I241 Y244	L9-L13 HydrophobicContact CD1-CD1 4.43Å; L9-L13 HydrophobicContact CD1-CG 4.43Å; L9-L13 HydrophobicContact CG-CD1 4.07Å; L9-L13 HydrophobicContact CG-CG 4.46Å; L9-L13 WeakPolarHBondContact O-CB 3.44Å; L9-L13 WeakPolarHBondContact O-CG 3.38Å; L9-L13 PolarHBondContact O-N 3.03Å; L13-C16 PolarHBondContact O-N 3.48Å; L13-V17 PolarHBondContact O-N 3.15Å; L13-I241 HydrophobicContact CD1-CG1 4.06Å; L13-Y244 HydrophobicContact CB-CD1 4.45Å; L13-Y244 HydrophobicContact CB-CD2 4.41Å; L13-Y244 HydrophobicContact CB-CE1 4.1Å; L13-Y244 HydrophobicContact CB-CE2 4.03Å; L13-Y244 HydrophobicContact CD1-CD1 4.3Å; L13-Y244 HydrophobicContact CD1-CG 4.49Å; L13-Y244 HydrophobicContact CD2-CE1 4.5Å; L13-Y244 PolarHBondContact O-OH 2.89Å
14	G	58	Low	56.2	Low	32 Å²	32	63.7 Å²	63.7	33%	0.33	34%	0.336	S	S	.	.	H	α-helix	trans	-61.8	-45.1	174.6	0	0	0	0	0	112.5	L10 L11 L12 V17 F18	L10-G14 PolarHBondContact O-N 3.45Å; L11-G14 CarbonylContact O-C 3.57Å; L11-G14 PolarHBondContact O-N 3.08Å; L12-G14 VanDerWaalsContact C-N 3.31Å; L12-G14 PolarHBondContact O-N 3.26Å; G14-V17 PolarHBondContact O-N 3.39Å; G14-F18 WeakPolarHBondContact O-CB 3.49Å; G14-F18 PolarHBondContact O-N 2.81Å
15	L	57.6	Low	55.6	Low	74 Å²	74	68.2 Å²	68.2	39%	0.387	35%	0.35	S	S	.	.	H	α-helix	trans	-62.3	-46.8	175.6	-78.9	159.7	0	0	0	111.1	L11 L12 V17 F18 I19 L264	L11-L15 WeakPolarHBondContact O-CB 3.42Å; L11-L15 WeakPolarHBondContact O-CG 3.07Å; L11-L15 PolarHBondContact O-N 3.09Å; L12-L15 PolarHBondContact O-N 2.94Å; L15-V17 VanDerWaalsContact C-N 3.26Å; L15-V17 PolarHBondContact O-N 3.43Å; L15-F18 WeakPolarHBondContact O-CB 3.38Å; L15-F18 PolarHBondContact O-N 2.89Å; L15-I19 VanDerWaalsContact O-CG1 3.3Å; L15-I19 WeakPolarHBondContact O-CG1 3.32Å; L15-I19 PolarHBondContact O-N 3.04Å; L15-L264 HydrophobicContact CB-CD1 4Å
16	C	61	Low	54.5	Low	17 Å²	17	72.9 Å²	72.9	12%	0.115	37%	0.374	C	S	.	.	H	α-helix	trans	-56.5	-39.9	176.9	-68.2	0	0	0	0	112.1	L12 L13 S20 E260	L12-C16 PolarHBondContact O-N 3.36Å; L12-C16 PolarHBondContact O-SG 2.98Å; L13-C16 PolarHBondContact O-N 3.48Å; C16-S20 WeakPolarHBondContact O-CB 3.36Å; C16-S20 PolarHBondContact O-N 3.1Å; C16-S20 PolarHBondContact O-OG 3.08Å; C16-E260 HydrophobicContact CB-CB 4.39Å
17	V	57.4	Low	53.3	Low	20 Å²	20	75.7 Å²	75.7	12%	0.121	40%	0.395	C	S	.	.	H	α-helix	trans	-72.6	-38.3	174.8	157.7	0	0	0	0	112.3	L13 G14 L15 S20 R21 Y244 I253	L13-V17 PolarHBondContact O-N 3.15Å; G14-V17 PolarHBondContact O-N 3.39Å; L15-V17 VanDerWaalsContact C-N 3.26Å; L15-V17 PolarHBondContact O-N 3.43Å; V17-S20 WeakPolarHBondContact CA-OG 3.4Å; V17-S20 PolarHBondContact O-N 3.02Å; V17-S20 PolarHBondContact O-OG 3.32Å; V17-R21 HydrophobicContact CG1-CG 4.43Å; V17-R21 WeakPolarHBondContact O-CB 3.22Å; V17-R21 WeakPolarHBondContact O-CG 3.17Å; V17-R21 PolarHBondContact O-N 2.92Å; V17-Y244 WeakPolarHBondContact CB-OH 3.49Å; V17-Y244 WeakPolarHBondContact CG2-OH 3.44Å; V17-I253 HydrophobicContact CG1-CD1 4.44Å; V17-I253 HydrophobicContact CG2-CD1 4.02Å
18	F	52.6	Low	51.9	Low	126 Å²	126	73.5 Å²	73.5	55%	0.553	41%	0.405	S	S	*	.	H	α-helix	trans	-60.9	-45.8	176.6	-172.4	-106.1	0	0	0	111.2	G14 L15 R21 I22	G14-F18 WeakPolarHBondContact O-CB 3.49Å; G14-F18 PolarHBondContact O-N 2.81Å; L15-F18 WeakPolarHBondContact O-CB 3.38Å; L15-F18 PolarHBondContact O-N 2.89Å; F18-R21 PolarHBondContact O-N 2.89Å; F18-I22 HydrophobicContact CD1-CD1 3.62Å; F18-I22 HydrophobicContact CE1-CD1 3.15Å; F18-I22 HydrophobicContact CE1-CG1 4.29Å; F18-I22 HydrophobicContact CE2-CD1 4.27Å; F18-I22 HydrophobicContact CG-CD1 4.37Å; F18-I22 HydrophobicContact CZ-CD1 3.53Å; F18-I22 HydrophobicContact CZ-CG1 4.42Å; F18-I22 WeakPolarHBondContact O-CG1 3.31Å; F18-I22 PolarHBondContact O-N 2.81Å
19	I	55.1	Low	50.5	Low	35 Å²	35	73.8 Å²	73.8	18%	0.179	42%	0.424	C	S	.	.	H	α-helix	trans	-65.5	-43.8	176.9	-52.2	163.1	0	0	0	110.1	L15 R21 I22 Q23 E260 L264	L15-I19 VanDerWaalsContact O-CG1 3.3Å; L15-I19 WeakPolarHBondContact O-CG1 3.32Å; L15-I19 PolarHBondContact O-N 3.04Å; I19-R21 PolarHBondContact O-N 3.27Å; I19-R21 VanDerWaalsContact O-N 3.14Å; I19-I22 CarbonylContact O-C 3.59Å; I19-I22 PolarHBondContact O-N 3.4Å; I19-Q23 HydrophobicContact CG2-CG 4.2Å; I19-Q23 PolarHBondContact O-N 3.06Å; I19-E260 VanDerWaalsContact C-OE1 3.23Å; I19-E260 WeakPolarHBondContact CB-OE2 3.46Å; I19-E260 VanDerWaalsContact CG2-CD 3.45Å; I19-E260 WeakPolarHBondContact CG2-OE1 3.35Å; I19-E260 WeakPolarHBondContact CG2-OE2 3.45Å; I19-L264 HydrophobicContact CD1-CD1 3.96Å; I19-L264 HydrophobicContact CD1-CD2 4.04Å; I19-L264 HydrophobicContact CD1-CG 3.95Å
20	S	52.6	Low	49.1	Very low	45 Å²	45	81.5 Å²	81.5	32%	0.315	46%	0.46	S	S	.	.	H	α-helix	trans	-60.6	-30.4	176.5	72.9	0	0	0	0	113.6	C16 V17 G24 E260	C16-S20 WeakPolarHBondContact O-CB 3.36Å; C16-S20 PolarHBondContact O-N 3.1Å; C16-S20 PolarHBondContact O-OG 3.08Å; V17-S20 WeakPolarHBondContact CA-OG 3.4Å; V17-S20 PolarHBondContact O-N 3.02Å; V17-S20 PolarHBondContact O-OG 3.32Å; S20-G24 PolarHBondContact O-N 2.95Å; S20-G24 VanDerWaalsContact O-N 3.12Å; S20-E260 WeakPolarHBondContact CA-OE1 3.39Å; S20-E260 PolarHBondContact N-OE1 3.2Å
21	R	53.5	Low	47.8	Very low	157 Å²	157	85.6 Å²	85.6	59%	0.592	48%	0.477	S	S	*	.	H	α-helix	trans	-75.4	-36.5	175	-77.1	-178.8	178.7	-171.3	1.2	111.9	V17 F18 I19 Q25	V17-R21 HydrophobicContact CG1-CG 4.43Å; V17-R21 WeakPolarHBondContact O-CB 3.22Å; V17-R21 WeakPolarHBondContact O-CG 3.17Å; V17-R21 PolarHBondContact O-N 2.92Å; F18-R21 PolarHBondContact O-N 2.89Å; I19-R21 PolarHBondContact O-N 3.27Å; I19-R21 VanDerWaalsContact O-N 3.14Å; R21-Q25 PolarHBondContact O-N 2.77Å
22	I	47.4	Very low	46.8	Very low	61 Å²	61	87.9 Å²	87.9	31%	0.313	49%	0.49	S	S	.	.	H	α-helix	trans	-72	-45.7	177.9	-72.6	179.1	0	0	0	110.5	F18 I19 G24 Q25 L26	F18-I22 HydrophobicContact CD1-CD1 3.62Å; F18-I22 HydrophobicContact CE1-CD1 3.15Å; F18-I22 HydrophobicContact CE1-CG1 4.29Å; F18-I22 HydrophobicContact CE2-CD1 4.27Å; F18-I22 HydrophobicContact CG-CD1 4.37Å; F18-I22 HydrophobicContact CZ-CD1 3.53Å; F18-I22 HydrophobicContact CZ-CG1 4.42Å; F18-I22 WeakPolarHBondContact O-CG1 3.31Å; F18-I22 PolarHBondContact O-N 2.81Å; I19-I22 CarbonylContact O-C 3.59Å; I19-I22 PolarHBondContact O-N 3.4Å; I22-G24 VanDerWaalsContact C-N 3.28Å; I22-G24 PolarHBondContact O-N 3.43Å; I22-Q25 CarbonylContact O-C 3.49Å; I22-Q25 WeakPolarHBondContact O-CA 3.48Å; I22-Q25 WeakPolarHBondContact O-CB 3.39Å; I22-Q25 PolarHBondContact O-N 2.94Å; I22-L26 HydrophobicContact CG2-CD1 3.68Å; I22-L26 PolarHBondContact O-N 3.43Å
23	Q	45.6	Very low	45.5	Very low	101 Å²	101	94 Å²	94	47%	0.472	52%	0.518	S	S	.	.	H	α-helix	trans	-62.7	-36.8	174.8	-73.3	-165.8	-21.7	0	0	111.6	I19 Q25 L26 E260	I19-Q23 HydrophobicContact CG2-CG 4.2Å; I19-Q23 PolarHBondContact O-N 3.06Å; Q23-Q25 PolarHBondContact O-N 3.14Å; Q23-L26 CarbonylContact O-C 3.4Å; Q23-L26 PolarHBondContact O-N 3.34Å; Q23-L26 VanDerWaalsContact O-N 3.1Å; Q23-E260 PolarHBondContact OE1-OE1 3.43Å
24	G	47.4	Very low	44.3	Very low	56 Å²	56	99.9 Å²	99.9	58%	0.577	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-13.7	170.2	0	0	0	0	0	114.7	S20 I22	S20-G24 PolarHBondContact O-N 2.95Å; S20-G24 VanDerWaalsContact O-N 3.12Å; I22-G24 VanDerWaalsContact C-N 3.28Å; I22-G24 PolarHBondContact O-N 3.43Å
25	Q	42.3	Very low	43.6	Very low	166 Å²	166	103.4 Å²	103.4	78%	0.776	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.9	-16.5	174.5	-69.4	-175	-32.5	0	0	113.6	R21 I22 Q23	R21-Q25 PolarHBondContact O-N 2.77Å; I22-Q25 CarbonylContact O-C 3.49Å; I22-Q25 WeakPolarHBondContact O-CA 3.48Å; I22-Q25 WeakPolarHBondContact O-CB 3.39Å; I22-Q25 PolarHBondContact O-N 2.94Å; Q23-Q25 PolarHBondContact O-N 3.14Å
26	L	30.4	Very low	42.7	Very low	129 Å²	129	107 Å²	107	68%	0.675	57%	0.571	S	S	*	*			trans	-124.1	64.8	-176.2	-70.1	167.2	0	0	0	109.3	I22 Q23 G28	I22-L26 HydrophobicContact CG2-CD1 3.68Å; I22-L26 PolarHBondContact O-N 3.43Å; Q23-L26 CarbonylContact O-C 3.4Å; Q23-L26 PolarHBondContact O-N 3.34Å; Q23-L26 VanDerWaalsContact O-N 3.1Å; L26-G28 PolarHBondContact O-N 3.14Å
27	I	33.7	Very low	41.6	Very low	165 Å²	165	113.2 Å²	113.2	85%	0.846	60%	0.598	S	S	*	*			trans	-86.1	98.4	166.7	-54.6	176.3	0	0	0	106.6
28	G	28	Very low	41.1	Very low	79 Å²	79	117.9 Å²	117.9	81%	0.814	62%	0.619	S	S	*	*			trans	148.9	87	173.5	0	0	0	0	0	111.8	L26	L26-G28 PolarHBondContact O-N 3.14Å
29	G	29	Very low	40.7	Very low	67 Å²	67	116.8 Å²	116.8	69%	0.691	62%	0.615	S	S	*	*			trans	-171.9	124.5	171.7	0	0	0	0	0	109.8
30	E	31.9	Very low	40.2	Very low	174 Å²	174	122.5 Å²	122.5	81%	0.813	64%	0.641	S	S	*	*			trans	-54.7	124.4	-175.8	-70.5	140.3	164.1	0	0	112.5
31	E	35.9	Very low	39.9	Very low	154 Å²	154	127.7 Å²	127.7	72%	0.72	66%	0.661	S	S	*	*			trans	-99.4	2.8	174.2	-82.7	-174.1	168.4	0	0	112.7
32	D	35.7	Very low	39.7	Very low	144 Å²	144	124.2 Å²	124.2	77%	0.77	65%	0.651	S	S	*	*	S	Bend	trans	-94.1	-15.1	-170.3	-65.7	-29.7	0	0	0	114.7
33	E	35.2	Very low	39.8	Very low	154 Å²	154	128.9 Å²	128.9	72%	0.72	67%	0.671	S	S	*	*	S	Bend	trans	-91.7	-26.4	-178	-71.5	-171	173.3	0	0	114.2	D35	E33-D35 VanDerWaalsContact C-N 3.32Å; E33-D35 PolarHBondContact O-N 3.33Å
34	E	40.7	Very low	39.9	Very low	142 Å²	142	132 Å²	132	66%	0.664	69%	0.686	S	S	*	*	H	α-helix	trans	-68.1	-30	-179.7	-71.2	-174.5	170.5	0	0	112.5	E36 E38	E34-E36 PolarHBondContact O-N 3.39Å; E34-E38 PolarHBondContact O-N 3.04Å
35	D	42	Very low	40.1	Very low	105 Å²	105	134 Å²	134	56%	0.561	69%	0.691	S	S	*	*	H	α-helix	trans	-70	-28	-178.2	-83.4	-16.9	0	0	0	113.2	E33 E39	E33-D35 VanDerWaalsContact C-N 3.32Å; E33-D35 PolarHBondContact O-N 3.33Å; D35-E39 WeakPolarHBondContact O-CG 3.42Å
36	E	38.7	Very low	40.8	Very low	149 Å²	149	127.9 Å²	127.9	70%	0.696	67%	0.665	S	S	*	*	H	α-helix	trans	-80.7	-39.4	179.3	-71.2	-168.6	174.7	0	0	112	E34 E39 E40	E34-E36 PolarHBondContact O-N 3.39Å; E36-E39 PolarHBondContact O-N 3.4Å; E36-E40 PolarHBondContact O-N 3.33Å
37	E	38.5	Very low	42.2	Very low	148 Å²	148	130.6 Å²	130.6	69%	0.692	67%	0.674	S	S	*	*	H	α-helix	trans	-66.7	-37.7	176.4	-69.6	-169.2	167.9	0	0	111.8	E39 E40 E41	E37-E39 VanDerWaalsContact C-N 3.25Å; E37-E39 PolarHBondContact O-N 2.94Å; E37-E40 PolarHBondContact O-N 2.99Å; E37-E41 PolarHBondContact O-N 3.16Å
38	E	46.1	Very low	43.9	Very low	118 Å²	118	130.6 Å²	130.6	55%	0.551	68%	0.676	S	S	*	*	H	α-helix	trans	-63.1	-29.7	172.9	-76.5	-168.5	173.9	0	0	112.5	E34 E42	E34-E38 PolarHBondContact O-N 3.04Å; E38-E42 WeakPolarHBondContact O-CB 3.26Å; E38-E42 WeakPolarHBondContact O-CG 3.44Å; E38-E42 PolarHBondContact O-N 3.49Å
39	E	46	Very low	46.1	Very low	103 Å²	103	129.3 Å²	129.3	48%	0.481	65%	0.649	S	S	.	*	H	α-helix	trans	-69.4	-40	176.8	-79.2	-168.5	170.6	0	0	112.8	D35 E36 E37 E43 K61	D35-E39 WeakPolarHBondContact O-CG 3.42Å; E36-E39 PolarHBondContact O-N 3.4Å; E37-E39 VanDerWaalsContact C-N 3.25Å; E37-E39 PolarHBondContact O-N 2.94Å; E39-E43 PolarHBondContact O-N 3.22Å; E39-K61 IonicContact OE1-NZ 3.4Å; E39-K61 PolarHBondContact OE1-NZ 3.32Å
40	E	44	Very low	48.6	Very low	155 Å²	155	129.1 Å²	129.1	72%	0.724	64%	0.635	S	S	*	*	H	α-helix	trans	-70.2	-41.1	178.2	-66.1	-165.6	167.5	0	0	111.8	E36 E37 E43 E44	E36-E40 PolarHBondContact O-N 3.33Å; E37-E40 PolarHBondContact O-N 2.99Å; E40-E43 PolarHBondContact O-N 2.75Å; E40-E44 PolarHBondContact O-N 3.22Å
41	E	45.3	Very low	50.8	Low	155 Å²	155	125.6 Å²	125.6	72%	0.724	63%	0.627	S	S	*	*	H	α-helix	trans	-69.9	-35.7	178.2	-69.3	-163.9	167.9	0	0	112.9	E37 S45	E37-E41 PolarHBondContact O-N 3.16Å; E41-S45 PolarHBondContact O-OG 3.07Å
42	E	49.5	Very low	53	Low	84 Å²	84	125.9 Å²	125.9	39%	0.393	63%	0.628	S	S	.	*	H	α-helix	trans	-70.4	-28.6	174.7	-83.3	-160.8	176.6	0	0	112.8	E38 V46 R57	E38-E42 WeakPolarHBondContact O-CB 3.26Å; E38-E42 WeakPolarHBondContact O-CG 3.44Å; E38-E42 PolarHBondContact O-N 3.49Å; E42-V46 WeakPolarHBondContact O-CG2 3.3Å; E42-R57 IonicContact OE2-CZ 3.57Å; E42-R57 IonicContact OE2-NH1 3.53Å; E42-R57 PolarHBondContact OE2-NH1 3.3Å
43	E	49.5	Very low	55	Low	158 Å²	158	121.9 Å²	121.9	74%	0.738	61%	0.607	S	S	*	*	H	α-helix	trans	-74.5	-33.3	177.2	-75.9	-160.1	166.6	0	0	112.8	E39 E40	E39-E43 PolarHBondContact O-N 3.22Å; E40-E43 PolarHBondContact O-N 2.75Å
44	E	48.9	Very low	57	Low	167 Å²	167	120.9 Å²	120.9	78%	0.78	60%	0.596	S	S	*	*	H	α-helix	trans	-72.5	-29.8	178.9	-78.6	-163.2	156.9	0	0	113.7	E40 V46	E40-E44 PolarHBondContact O-N 3.22Å; E44-V46 VanDerWaalsContact C-N 3.3Å; E44-V46 PolarHBondContact O-N 2.88Å
45	S	51.1	Low	59	Low	97 Å²	97	119.2 Å²	119.2	68%	0.678	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	3.1	-172.6	62	0	0	0	0	115.4	E41	E41-S45 PolarHBondContact O-OG 3.07Å
46	V	56.5	Low	61.1	Low	39 Å²	39	117.9 Å²	117.9	24%	0.236	58%	0.582	C	S	.	*			trans	-124.3	47.9	-165.1	-163.2	0	0	0	0	112.2	E42 E44 D48 E49	E42-V46 WeakPolarHBondContact O-CG2 3.3Å; E44-V46 VanDerWaalsContact C-N 3.3Å; E44-V46 PolarHBondContact O-N 2.88Å; V46-D48 PolarHBondContact O-N 3.43Å; V46-E49 HydrophobicContact CG1-CB 3.36Å; V46-E49 HydrophobicContact CG1-CG 3.15Å; V46-E49 WeakPolarHBondContact CG1-OE2 3.41Å
47	E	59.8	Low	63.2	Low	186 Å²	186	114.7 Å²	114.7	87%	0.869	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-20.4	177.3	-66.6	-168.5	152.9	0	0	113.2
48	D	70.1	Confident	65.5	Low	165 Å²	165	114.8 Å²	114.8	88%	0.882	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.5	5.3	-174	-78.5	-29.1	0	0	0	115.5	V46	V46-D48 PolarHBondContact O-N 3.43Å
49	E	73.1	Confident	67.7	Low	51 Å²	51	111.9 Å²	111.9	24%	0.238	55%	0.55	C	S	.	.			trans	-75	133.9	179.5	-94.9	-175.8	174.3	0	0	114	V46 D53 R54 R57	V46-E49 HydrophobicContact CG1-CB 3.36Å; V46-E49 HydrophobicContact CG1-CG 3.15Å; V46-E49 WeakPolarHBondContact CG1-OE2 3.41Å; E49-D53 HydrophobicContact CB-CB 4.36Å; E49-D53 HydrophobicContact CG-CB 3.92Å; E49-R54 HydrophobicContact CB-CG 3.99Å; E49-R54 PolarHBondContact O-NH2 3.23Å; E49-R54 WeakPolarHBondContact OE2-CG 3.41Å; E49-R57 IonicContact OE2-NE 3.62Å
50	T	81.4	Confident	69.9	Low	64 Å²	64	108.4 Å²	108.4	39%	0.393	53%	0.534	S	S	.	.			trans	-65.7	154.9	168.6	75.8	0	0	0	0	110.9	E52 D53 R54	T50-E52 PolarHBondContact O-N 2.66Å; T50-D53 WeakPolarHBondContact CB-OD2 3.3Å; T50-D53 PolarHBondContact O-N 3.01Å; T50-D53 PolarHBondContact OG1-N 3.31Å; T50-D53 VanDerWaalsContact OG1-N 3.17Å; T50-D53 PolarHBondContact OG1-OD2 3.11Å; T50-R54 PolarHBondContact O-N 2.77Å; T50-R54 VanDerWaalsContact O-N 3.07Å
51	P	79.3	Confident	72.1	Confident	100 Å²	100	105.2 Å²	105.2	65%	0.649	52%	0.518	S	S	*	.	H	α-helix	trans	-58.2	-29.4	174	-25.8	35.3	0	0	0	113.8	L55	P51-L55 WeakPolarHBondContact O-CB 3.28Å; P51-L55 PolarHBondContact O-N 3.45Å; P51-L55 VanDerWaalsContact O-N 3.08Å
52	E	81	Confident	74.4	Confident	159 Å²	159	101.8 Å²	101.8	74%	0.743	50%	0.502	S	S	*	.	H	α-helix	trans	-70.5	-42.9	177.3	-66.3	-177.8	179.4	0	0	111.4	T50 L55 Q56	T50-E52 PolarHBondContact O-N 2.66Å; E52-L55 PolarHBondContact O-N 2.86Å; E52-Q56 WeakPolarHBondContact O-CB 3.37Å; E52-Q56 PolarHBondContact O-N 3.28Å
53	D	78.5	Confident	76.6	Confident	61 Å²	61	98 Å²	98	33%	0.326	48%	0.484	S	S	.	.	H	α-helix	trans	-63.3	-45	175.9	-64.1	-46.4	0	0	0	110.8	E49 T50 L55 Q56 R57	E49-D53 HydrophobicContact CB-CB 4.36Å; E49-D53 HydrophobicContact CG-CB 3.92Å; T50-D53 WeakPolarHBondContact CB-OD2 3.3Å; T50-D53 PolarHBondContact O-N 3.01Å; T50-D53 PolarHBondContact OG1-N 3.31Å; T50-D53 VanDerWaalsContact OG1-N 3.17Å; T50-D53 PolarHBondContact OG1-OD2 3.11Å; D53-L55 VanDerWaalsContact C-N 3.34Å; D53-L55 PolarHBondContact O-N 2.88Å; D53-Q56 PolarHBondContact O-N 2.87Å; D53-Q56 VanDerWaalsContact O-N 3.12Å; D53-R57 WeakPolarHBondContact O-CB 3.43Å; D53-R57 PolarHBondContact O-N 3.06Å
54	R	77.5	Confident	78.7	Confident	133 Å²	133	91.1 Å²	91.1	50%	0.502	45%	0.454	S	S	.	.	H	α-helix	trans	-57.5	-44.3	174.3	-83.6	-176	-81.5	-163	-14.1	112.8	E49 T50 Q56 R57 K58	E49-R54 HydrophobicContact CB-CG 3.99Å; E49-R54 PolarHBondContact O-NH2 3.23Å; E49-R54 WeakPolarHBondContact OE2-CG 3.41Å; T50-R54 PolarHBondContact O-N 2.77Å; T50-R54 VanDerWaalsContact O-N 3.07Å; R54-Q56 VanDerWaalsContact C-N 3.35Å; R54-R57 PolarHBondContact O-N 2.93Å; R54-K58 WeakPolarHBondContact O-CB 3.48Å; R54-K58 PolarHBondContact O-N 3.23Å
55	L	83.3	Confident	80.8	Confident	106 Å²	106	88.2 Å²	88.2	56%	0.555	45%	0.447	S	S	*	.	H	α-helix	trans	-65.9	-39.4	177.2	-179.8	62.1	0	0	0	111.5	P51 E52 D53 N59	P51-L55 WeakPolarHBondContact O-CB 3.28Å; P51-L55 PolarHBondContact O-N 3.45Å; P51-L55 VanDerWaalsContact O-N 3.08Å; E52-L55 PolarHBondContact O-N 2.86Å; D53-L55 VanDerWaalsContact C-N 3.34Å; D53-L55 PolarHBondContact O-N 2.88Å; L55-N59 WeakPolarHBondContact O-CB 3.08Å; L55-N59 PolarHBondContact O-N 3.14Å; L55-N59 PolarHBondContact O-ND2 3.17Å
56	Q	84.7	Confident	83	Confident	77 Å²	77	85 Å²	85	36%	0.36	42%	0.423	S	S	.	.	H	α-helix	trans	-64.4	-47.6	176.1	-178.7	167	45	0	0	111.2	E52 D53 R54 K58 N59 I60	E52-Q56 WeakPolarHBondContact O-CB 3.37Å; E52-Q56 PolarHBondContact O-N 3.28Å; D53-Q56 PolarHBondContact O-N 2.87Å; D53-Q56 VanDerWaalsContact O-N 3.12Å; R54-Q56 VanDerWaalsContact C-N 3.35Å; Q56-K58 PolarHBondContact O-N 3.42Å; Q56-N59 PolarHBondContact O-N 2.98Å; Q56-I60 HydrophobicContact CG-CD1 3.88Å; Q56-I60 WeakPolarHBondContact O-CG1 3.35Å; Q56-I60 PolarHBondContact O-N 3.3Å
57	R	83.7	Confident	84.9	Confident	82 Å²	82	84.8 Å²	84.8	31%	0.309	42%	0.423	S	S	.	.	H	α-helix	trans	-58	-48.6	176.7	-174.1	173.6	67.2	91.4	-2.4	111.2	E42 E49 D53 R54 N59 I60 K61	E42-R57 IonicContact OE2-CZ 3.57Å; E42-R57 IonicContact OE2-NH1 3.53Å; E42-R57 PolarHBondContact OE2-NH1 3.3Å; E49-R57 IonicContact OE2-NE 3.62Å; D53-R57 WeakPolarHBondContact O-CB 3.43Å; D53-R57 PolarHBondContact O-N 3.06Å; R54-R57 PolarHBondContact O-N 2.93Å; R57-N59 VanDerWaalsContact C-N 3.3Å; R57-N59 PolarHBondContact O-N 3.2Å; R57-I60 PolarHBondContact O-N 3.35Å; R57-I60 VanDerWaalsContact O-N 3.16Å; R57-K61 PolarHBondContact O-N 3.17Å
58	K	86.9	Confident	86.7	Confident	151 Å²	151	76 Å²	76	66%	0.657	38%	0.381	S	S	*	.	H	α-helix	trans	-57.9	-41.6	175.9	-174.7	171.6	-176.3	165.9	0	112.5	R54 Q56 Q62	R54-K58 WeakPolarHBondContact O-CB 3.48Å; R54-K58 PolarHBondContact O-N 3.23Å; Q56-K58 PolarHBondContact O-N 3.42Å; K58-Q62 WeakPolarHBondContact O-CB 3.32Å; K58-Q62 PolarHBondContact O-N 2.88Å
59	N	92.1	Very high	88	Confident	57 Å²	57	70.1 Å²	70.1	31%	0.305	35%	0.35	S	S	.	.	H	α-helix	trans	-65.9	-41.6	176.8	-82.9	-44.9	0	0	0	112.5	L55 Q56 R57 Q62 D63 K74	L55-N59 WeakPolarHBondContact O-CB 3.08Å; L55-N59 PolarHBondContact O-N 3.14Å; L55-N59 PolarHBondContact O-ND2 3.17Å; Q56-N59 PolarHBondContact O-N 2.98Å; R57-N59 VanDerWaalsContact C-N 3.3Å; R57-N59 PolarHBondContact O-N 3.2Å; N59-Q62 PolarHBondContact O-N 3.34Å; N59-D63 VanDerWaalsContact O-CB 3.3Å; N59-D63 WeakPolarHBondContact O-CB 3.23Å; N59-D63 PolarHBondContact O-N 2.94Å; N59-K74 PolarHBondContact OD1-NZ 3.33Å
60	I	91.9	Very high	89.2	Confident	30 Å²	30	73.4 Å²	73.4	15%	0.154	36%	0.364	C	S	.	.	H	α-helix	trans	-63.4	-48.1	176.6	-71.8	164.2	0	0	0	110.8	Q56 R57 Q62 D63 S64 K293 P296 V297	Q56-I60 HydrophobicContact CG-CD1 3.88Å; Q56-I60 WeakPolarHBondContact O-CG1 3.35Å; Q56-I60 PolarHBondContact O-N 3.3Å; R57-I60 PolarHBondContact O-N 3.35Å; R57-I60 VanDerWaalsContact O-N 3.16Å; I60-Q62 VanDerWaalsContact C-N 3.33Å; I60-Q62 PolarHBondContact O-N 3.47Å; I60-D63 PolarHBondContact O-N 3.08Å; I60-S64 WeakPolarHBondContact O-CB 3.24Å; I60-S64 PolarHBondContact O-N 2.63Å; I60-S64 PolarHBondContact O-OG 2.91Å; I60-K293 HydrophobicContact CD1-CB 4.5Å; I60-K293 WeakPolarHBondContact CD1-O 3.46Å; I60-P296 HydrophobicContact CG2-CB 3.91Å; I60-P296 HydrophobicContact CG2-CG 4.21Å; I60-V297 HydrophobicContact CB-CG2 4.38Å; I60-V297 HydrophobicContact CG1-CG2 4.49Å; I60-V297 HydrophobicContact CG2-CG2 3.97Å
61	K	90.7	Very high	90	Very high	87 Å²	87	70.4 Å²	70.4	38%	0.378	35%	0.345	S	S	.	.	H	α-helix	trans	-56.7	-49.8	177.6	-171.4	175.3	-174.6	-179.9	0	110	E39 R57 S64 T65	E39-K61 IonicContact OE1-NZ 3.4Å; E39-K61 PolarHBondContact OE1-NZ 3.32Å; R57-K61 PolarHBondContact O-N 3.17Å; K61-S64 PolarHBondContact O-N 3.28Å; K61-S64 PolarHBondContact O-OG 3.21Å; K61-T65 PolarHBondContact O-OG1 2.9Å
62	Q	94	Very high	90.9	Very high	83 Å²	83	65.7 Å²	65.7	39%	0.388	31%	0.314	S	S	.	.	H	α-helix	trans	-63.1	-46.1	178.9	-167.6	-177.5	29.8	0	0	112.7	K58 N59 I60 S64 T65 L66 K74	K58-Q62 WeakPolarHBondContact O-CB 3.32Å; K58-Q62 PolarHBondContact O-N 2.88Å; N59-Q62 PolarHBondContact O-N 3.34Å; I60-Q62 VanDerWaalsContact C-N 3.33Å; I60-Q62 PolarHBondContact O-N 3.47Å; Q62-S64 PolarHBondContact O-N 3.09Å; Q62-T65 PolarHBondContact O-N 3.28Å; Q62-T65 PolarHBondContact O-OG1 3.22Å; Q62-T65 VanDerWaalsContact O-OG1 3.07Å; Q62-L66 HydrophobicContact CG-CD1 3.83Å; Q62-L66 HydrophobicContact CG-CG 4.02Å; Q62-L66 WeakPolarHBondContact O-CG 3.45Å; Q62-L66 PolarHBondContact O-N 2.86Å; Q62-L66 VanDerWaalsContact O-N 3.11Å; Q62-K74 HydrophobicContact CG-CD 4.49Å
63	D	95.6	Very high	91.7	Very high	4 Å²	4	60.6 Å²	60.6	2%	0.021	30%	0.3	C	S	.	.	H	α-helix	trans	-65.2	-29.2	-178.4	-76.6	5	0	0	0	112.7	N59 I60 T65 L71 K74 Y75 V297 H301	N59-D63 VanDerWaalsContact O-CB 3.3Å; N59-D63 WeakPolarHBondContact O-CB 3.23Å; N59-D63 PolarHBondContact O-N 2.94Å; I60-D63 PolarHBondContact O-N 3.08Å; D63-T65 VanDerWaalsContact C-N 3.28Å; D63-T65 PolarHBondContact O-N 3.48Å; D63-L71 HydrophobicContact CB-CD1 3.92Å; D63-L71 WeakPolarHBondContact OD1-CD1 3.41Å; D63-K74 WeakPolarHBondContact OD1-CD 3.44Å; D63-K74 WeakPolarHBondContact OD1-CE 3.25Å; D63-K74 IonicContact OD1-NZ 3.64Å; D63-K74 PolarHBondContact OD1-NZ 3.38Å; D63-Y75 PolarHBondContact OD2-OH 2.96Å; D63-V297 HydrophobicContact CB-CG1 3.86Å; D63-V297 HydrophobicContact CB-CG2 3.91Å; D63-H301 PolarHBondContact O-NE2 2.02Å
64	S	92.5	Very high	92.6	Very high	15 Å²	15	60.7 Å²	60.7	11%	0.105	30%	0.297	C	S	.	.	H	α-helix	trans	-72.3	-18.7	178.3	74.4	0	0	0	0	113.9	I60 K61 Q62 P296 G300	I60-S64 WeakPolarHBondContact O-CB 3.24Å; I60-S64 PolarHBondContact O-N 2.63Å; I60-S64 PolarHBondContact O-OG 2.91Å; K61-S64 PolarHBondContact O-N 3.28Å; K61-S64 PolarHBondContact O-OG 3.21Å; Q62-S64 PolarHBondContact O-N 3.09Å; S64-P296 WeakPolarHBondContact CB-O 3.42Å; S64-G300 VanDerWaalsContact O-CA 3.27Å; S64-G300 WeakPolarHBondContact O-CA 3.2Å
65	T	93.3	Very high	93.6	Very high	105 Å²	105	57.7 Å²	57.7	64%	0.644	29%	0.286	S	S	*	.	H	α-helix	trans	-111.3	-26.4	-174.7	54.8	0	0	0	0	113.9	K61 Q62 D63	K61-T65 PolarHBondContact O-OG1 2.9Å; Q62-T65 PolarHBondContact O-N 3.28Å; Q62-T65 PolarHBondContact O-OG1 3.22Å; Q62-T65 VanDerWaalsContact O-OG1 3.07Å; D63-T65 VanDerWaalsContact C-N 3.28Å; D63-T65 PolarHBondContact O-N 3.48Å
66	L	96.4	Very high	94.2	Very high	31 Å²	31	56 Å²	56	16%	0.162	30%	0.295	C	S	.	.	S	Bend	trans	-64.9	136.1	-179.2	-74.1	-179.6	0	0	0	112.8	Q62 K70 L71 K74 H301	Q62-L66 HydrophobicContact CG-CD1 3.83Å; Q62-L66 HydrophobicContact CG-CG 4.02Å; Q62-L66 WeakPolarHBondContact O-CG 3.45Å; Q62-L66 PolarHBondContact O-N 2.86Å; Q62-L66 VanDerWaalsContact O-N 3.11Å; L66-K70 HydrophobicContact CB-CB 4.24Å; L66-K70 HydrophobicContact CD2-CB 3.94Å; L66-K70 HydrophobicContact CD2-CD 4.18Å; L66-K70 HydrophobicContact CG-CB 4.48Å; L66-L71 HydrophobicContact CB-CB 4.26Å; L66-K74 HydrophobicContact CD1-CB 4.1Å; L66-K74 HydrophobicContact CD1-CD 3.79Å; L66-K74 HydrophobicContact CD1-CG 4.46Å; L66-H301 PolarHBondContact O-CE1 2.96Å
67	S	96.6	Very high	94.9	Very high	34 Å²	34	54.6 Å²	54.6	24%	0.238	29%	0.287	C	S	.	.			trans	-59.2	154.2	166.3	60	0	0	0	0	111.2	D69 K70 L71	S67-D69 VanDerWaalsContact C-N 3.27Å; S67-D69 WeakPolarHBondContact CB-OD1 3.5Å; S67-D69 PolarHBondContact O-N 3.3Å; S67-D69 PolarHBondContact OG-OD1 2.79Å; S67-K70 CarbonylContact O-C 3.58Å; S67-K70 PolarHBondContact O-N 2.85Å; S67-K70 WeakPolarHBondContact OG-CD 3.35Å; S67-K70 WeakPolarHBondContact OG-CG 3.44Å; S67-L71 PolarHBondContact O-N 2.92Å
68	V	98.1	Very high	95.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-55.5	-41	-173.7	166	0	0	0	0	112.5	L71 I72 H95 A116 V119 L140 Y148	V68-L71 PolarHBondContact O-N 3.16Å; V68-I72 HydrophobicContact CG1-CD1 3.71Å; V68-I72 HydrophobicContact CG1-CG1 4.45Å; V68-I72 WeakPolarHBondContact O-CB 3.41Å; V68-I72 WeakPolarHBondContact O-CD1 3.27Å; V68-I72 WeakPolarHBondContact O-CG1 3.47Å; V68-I72 PolarHBondContact O-N 2.94Å; V68-H95 HydrophobicContact CG1-CB 3.82Å; V68-A116 HydrophobicContact CG2-CB 3.54Å; V68-V119 HydrophobicContact CG1-CG2 4.07Å; V68-V119 HydrophobicContact CG2-CG2 4.37Å; V68-L140 HydrophobicContact CG1-CD1 4.15Å; V68-Y148 HydrophobicContact CG2-CE2 4.11Å; V68-Y148 WeakPolarHBondContact CG2-OH 3.49Å
69	D	98.2	Very high	96.1	Very high	42 Å²	42	50 Å²	50	23%	0.225	28%	0.275	C	S	.	.	H	α-helix	trans	-61.5	-43.2	176.1	61.7	-57.3	0	0	0	112.7	S67 A73 S79 V81	S67-D69 VanDerWaalsContact C-N 3.27Å; S67-D69 WeakPolarHBondContact CB-OD1 3.5Å; S67-D69 PolarHBondContact O-N 3.3Å; S67-D69 PolarHBondContact OG-OD1 2.79Å; D69-A73 WeakPolarHBondContact O-CB 3.38Å; D69-A73 PolarHBondContact O-N 2.92Å; D69-S79 WeakPolarHBondContact CA-OG 3.47Å; D69-S79 WeakPolarHBondContact O-CB 3.17Å; D69-S79 PolarHBondContact O-OG 3.16Å; D69-V81 HydrophobicContact CB-CG2 3.49Å; D69-V81 VanDerWaalsContact CB-CG2 3.49Å
70	K	98.4	Very high	96.4	Very high	121 Å²	121	49.4 Å²	49.4	53%	0.526	27%	0.27	S	S	.	.	H	α-helix	trans	-70.9	-35.9	177.4	-64.9	178.3	-175.2	175.8	0	111.6	L66 S67 A73 K74	L66-K70 HydrophobicContact CB-CB 4.24Å; L66-K70 HydrophobicContact CD2-CB 3.94Å; L66-K70 HydrophobicContact CD2-CD 4.18Å; L66-K70 HydrophobicContact CG-CB 4.48Å; S67-K70 CarbonylContact O-C 3.58Å; S67-K70 PolarHBondContact O-N 2.85Å; S67-K70 WeakPolarHBondContact OG-CD 3.35Å; S67-K70 WeakPolarHBondContact OG-CG 3.44Å; K70-A73 PolarHBondContact O-N 2.87Å; K70-K74 WeakPolarHBondContact O-CB 3.38Å; K70-K74 PolarHBondContact O-N 2.88Å
71	L	97.8	Very high	96.7	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-63.6	-46	175.4	-175.4	61.9	0	0	0	110.8	D63 L66 S67 V68 A73 K74 Y75 V119	D63-L71 HydrophobicContact CB-CD1 3.92Å; D63-L71 WeakPolarHBondContact OD1-CD1 3.41Å; L66-L71 HydrophobicContact CB-CB 4.26Å; S67-L71 PolarHBondContact O-N 2.92Å; V68-L71 PolarHBondContact O-N 3.16Å; L71-A73 VanDerWaalsContact C-N 3.35Å; L71-A73 PolarHBondContact O-N 2.97Å; L71-K74 WeakPolarHBondContact O-CB 3.45Å; L71-K74 PolarHBondContact O-N 2.93Å; L71-Y75 HydrophobicContact CD1-CD2 4.15Å; L71-Y75 HydrophobicContact CD1-CE2 3.68Å; L71-Y75 HydrophobicContact CG-CD2 4.37Å; L71-Y75 HydrophobicContact CG-CE2 4.25Å; L71-Y75 VanDerWaalsContact O-CD2 3.23Å; L71-Y75 WeakPolarHBondContact O-CD2 3.39Å; L71-Y75 PolarHBondContact O-N 3.18Å; L71-V119 HydrophobicContact CD2-CG2 4.12Å
72	I	98.6	Very high	97.1	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.7	-47.4	173.9	-70.2	162.5	0	0	0	110.6	V68 Y75 Y77 H95 I97 V119 Y129 L140	V68-I72 HydrophobicContact CG1-CD1 3.71Å; V68-I72 HydrophobicContact CG1-CG1 4.45Å; V68-I72 WeakPolarHBondContact O-CB 3.41Å; V68-I72 WeakPolarHBondContact O-CD1 3.27Å; V68-I72 WeakPolarHBondContact O-CG1 3.47Å; V68-I72 PolarHBondContact O-N 2.94Å; I72-Y75 PolarHBondContact O-N 3.05Å; I72-Y77 PolarHBondContact O-N 3.26Å; I72-H95 HydrophobicContact CD1-CB 4.5Å; I72-I97 HydrophobicContact CD1-CD1 4.4Å; I72-I97 HydrophobicContact CD1-CG1 3.86Å; I72-I97 HydrophobicContact CG1-CD1 4.34Å; I72-I97 HydrophobicContact CG1-CG1 4.18Å; I72-I97 HydrophobicContact CG2-CD1 4.37Å; I72-I97 HydrophobicContact CG2-CG1 3.82Å; I72-V119 HydrophobicContact CD1-CG1 4.26Å; I72-V119 HydrophobicContact CG1-CG1 4.04Å; I72-Y129 HydrophobicContact CG1-CE1 4.3Å; I72-L140 HydrophobicContact CD1-CD1 3.87Å
73	A	98.2	Very high	97.4	Very high	53 Å²	53	50 Å²	50	44%	0.438	28%	0.277	S	S	.	.	H	α-helix	trans	-64.6	-39.9	180	0	0	0	0	0	112.7	D69 K70 L71 Y75 G76	D69-A73 WeakPolarHBondContact O-CB 3.38Å; D69-A73 PolarHBondContact O-N 2.92Å; K70-A73 PolarHBondContact O-N 2.87Å; L71-A73 VanDerWaalsContact C-N 3.35Å; L71-A73 PolarHBondContact O-N 2.97Å; A73-Y75 PolarHBondContact O-N 3.32Å; A73-G76 PolarHBondContact O-N 2.87Å
74	K	97.3	Very high	97.5	Very high	62 Å²	62	50.1 Å²	50.1	27%	0.27	28%	0.278	S	S	.	.	H	α-helix	trans	-53.5	-40.7	174	174.9	-172.4	168.1	175.3	0	111.1	N59 Q62 D63 L66 K70 L71 G76	N59-K74 PolarHBondContact OD1-NZ 3.33Å; Q62-K74 HydrophobicContact CG-CD 4.49Å; D63-K74 WeakPolarHBondContact OD1-CD 3.44Å; D63-K74 WeakPolarHBondContact OD1-CE 3.25Å; D63-K74 IonicContact OD1-NZ 3.64Å; D63-K74 PolarHBondContact OD1-NZ 3.38Å; L66-K74 HydrophobicContact CD1-CB 4.1Å; L66-K74 HydrophobicContact CD1-CD 3.79Å; L66-K74 HydrophobicContact CD1-CG 4.46Å; K70-K74 WeakPolarHBondContact O-CB 3.38Å; K70-K74 PolarHBondContact O-N 2.88Å; L71-K74 WeakPolarHBondContact O-CB 3.45Å; L71-K74 PolarHBondContact O-N 2.93Å; K74-G76 PolarHBondContact O-N 3.18Å
75	Y	96.8	Very high	97.8	Very high	70 Å²	70	53.3 Å²	53.3	28%	0.275	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	9.2	179.5	-75.7	-61.9	0	0	0	114.7	D63 L71 I72 A73 Y77 P123 Y129	D63-Y75 PolarHBondContact OD2-OH 2.96Å; L71-Y75 HydrophobicContact CD1-CD2 4.15Å; L71-Y75 HydrophobicContact CD1-CE2 3.68Å; L71-Y75 HydrophobicContact CG-CD2 4.37Å; L71-Y75 HydrophobicContact CG-CE2 4.25Å; L71-Y75 VanDerWaalsContact O-CD2 3.23Å; L71-Y75 WeakPolarHBondContact O-CD2 3.39Å; L71-Y75 PolarHBondContact O-N 3.18Å; I72-Y75 PolarHBondContact O-N 3.05Å; A73-Y75 PolarHBondContact O-N 3.32Å; Y75-Y77 WeakPolarHBondContact O-CD2 3.48Å; Y75-Y77 WeakPolarHBondContact O-CE2 3.33Å; Y75-P123 HydrophobicContact CD1-CG 3.42Å; Y75-P123 VanDerWaalsContact CD1-CG 3.42Å; Y75-P123 HydrophobicContact CD2-CG 4.34Å; Y75-P123 VanDerWaalsContact CE1-CD 3.49Å; Y75-P123 HydrophobicContact CE1-CG 4.07Å; Y75-P123 HydrophobicContact CG-CG 3.57Å; Y75-Y129 WeakPolarHBondContact CD2-OH 3.47Å
76	G	97.4	Very high	98.1	Very high	72 Å²	72	48.7 Å²	48.7	74%	0.742	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	13.1	172.4	0	0	0	0	0	114.8	A73 K74	A73-G76 PolarHBondContact O-N 2.87Å; K74-G76 PolarHBondContact O-N 3.18Å
77	Y	98.4	Very high	98.2	Very high	47 Å²	47	53.4 Å²	53.4	18%	0.184	29%	0.29	C	S	.	.			trans	-94.8	145.6	177.1	-67.4	-99	0	0	0	111.3	I72 Y75 S79 I97 P123 Y129 A132 D133	I72-Y77 PolarHBondContact O-N 3.26Å; Y75-Y77 WeakPolarHBondContact O-CD2 3.48Å; Y75-Y77 WeakPolarHBondContact O-CE2 3.33Å; Y77-S79 PolarHBondContact O-N 3.48Å; Y77-I97 HydrophobicContact CD1-CG2 3.67Å; Y77-I97 HydrophobicContact CG-CG2 4.12Å; Y77-P123 HydrophobicContact CE2-CB 4.44Å; Y77-P123 HydrophobicContact CE2-CG 4.14Å; Y77-Y129 HydrophobicContact CD1-CD1 4.12Å; Y77-Y129 AromaticContact CD2-CD1 3.55Å; Y77-Y129 HydrophobicContact CD2-CD1 3.55Å; Y77-Y129 AromaticContact CD2-CE1 3.57Å; Y77-Y129 HydrophobicContact CD2-CE1 3.57Å; Y77-Y129 AromaticContact CE1-CD1 3.9Å; Y77-Y129 HydrophobicContact CE1-CD1 3.9Å; Y77-Y129 AromaticContact CE2-CD1 3.33Å; Y77-Y129 HydrophobicContact CE2-CD1 3.33Å; Y77-Y129 AromaticContact CE2-CE1 3.74Å; Y77-Y129 HydrophobicContact CE2-CE1 3.74Å; Y77-Y129 HydrophobicContact CE2-CG 4.14Å; Y77-Y129 AromaticContact CG-CD1 3.96Å; Y77-Y129 HydrophobicContact CG-CD1 3.96Å; Y77-Y129 HydrophobicContact CG-CE1 4.1Å; Y77-Y129 AromaticContact CZ-CD1 3.51Å; Y77-A132 HydrophobicContact CD1-CB 4.26Å; Y77-A132 HydrophobicContact CE1-CB 4.12Å; Y77-D133 PolarHBondContact OH-OD1 3.13Å
78	E	98.2	Very high	98.3	Very high	102 Å²	102	54.4 Å²	54.4	48%	0.477	29%	0.293	S	S	.	.			trans	-69.4	117.9	173	-168.8	179.8	166.5	0	0	109.4	I97 R98	E78-I97 CarbonylContact O-C 3.59Å; E78-I97 WeakPolarHBondContact O-CA 3.49Å; E78-R98 HydrophobicContact CB-CB 4.27Å; E78-R98 HydrophobicContact CG-CB 4.07Å; E78-R98 PolarHBondContact O-N 2.84Å; E78-R98 WeakPolarHBondContact OE1-CD 3.42Å; E78-R98 IonicContact OE1-CZ 3.34Å; E78-R98 VanDerWaalsContact OE1-CZ 3.3Å; E78-R98 IonicContact OE1-NE 3.18Å; E78-R98 IonicContact OE1-NH1 3.45Å; E78-R98 PolarHBondContact OE1-NH1 3.29Å
79	S	98.2	Very high	98.3	Very high	34 Å²	34	54.8 Å²	54.8	24%	0.238	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	134.6	-171.4	-169.1	0	0	0	0	110.7	D69 Y77 R96	D69-S79 WeakPolarHBondContact CA-OG 3.47Å; D69-S79 WeakPolarHBondContact O-CB 3.17Å; D69-S79 PolarHBondContact O-OG 3.16Å; Y77-S79 PolarHBondContact O-N 3.48Å; S79-R96 WeakPolarHBondContact CA-O 3.2Å
80	E	98.5	Very high	98.3	Very high	44 Å²	44	53.2 Å²	53.2	21%	0.206	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	150.6	171.8	-59.8	-178.9	164.3	0	0	111.1	H82 H95 R96 R98	E80-H82 IonicContact OE2-CD2 2.66Å; E80-H82 IonicContact OE2-CE1 2.84Å; E80-H82 IonicContact OE2-NE2 3.63Å; E80-H82 PolarHBondContact OE2-NE2 3.28Å; E80-H95 CarbonylContact O-C 3.57Å; E80-R96 HydrophobicContact CB-CB 4.23Å; E80-R96 PolarHBondContact N-O 3.31Å; E80-R96 PolarHBondContact O-N 3.44Å; E80-R96 IonicContact OE1-NH1 3.56Å; E80-R96 VanDerWaalsContact OE2-CD 3.3Å; E80-R96 WeakPolarHBondContact OE2-CD 3.4Å; E80-R96 IonicContact OE2-CZ 3.76Å; E80-R96 IonicContact OE2-NE 3.75Å; E80-R96 IonicContact OE2-NH1 2.96Å; E80-R96 PolarHBondContact OE2-NH1 3.05Å; E80-R98 VanDerWaalsContact CD-CD 3.46Å; E80-R98 HydrophobicContact CG-CB 4.42Å; E80-R98 WeakPolarHBondContact OE1-CD 3.44Å; E80-R98 IonicContact OE1-CZ 2.69Å; E80-R98 IonicContact OE1-NE 3.22Å; E80-R98 IonicContact OE1-NH1 2.63Å; E80-R98 PolarHBondContact OE1-NH1 3.15Å
81	V	98.8	Very high	98.3	Very high	58 Å²	58	48.9 Å²	48.9	35%	0.352	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	131.1	171.4	-175.5	0	0	0	0	108.8	D69 T93	D69-V81 HydrophobicContact CB-CG2 3.49Å; D69-V81 VanDerWaalsContact CB-CG2 3.49Å; V81-T93 HydrophobicContact CG1-CG2 3.62Å
82	H	98.8	Very high	98.4	Very high	31 Å²	31	48.9 Å²	48.9	14%	0.144	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	141	178.7	-69.4	-107.5	0	0	0	109.8	E80 T93 M94 W139 H181	E80-H82 IonicContact OE2-CD2 2.66Å; E80-H82 IonicContact OE2-CE1 2.84Å; E80-H82 IonicContact OE2-NE2 3.63Å; E80-H82 PolarHBondContact OE2-NE2 3.28Å; H82-T93 CarbonylContact O-C 3.55Å; H82-T93 WeakPolarHBondContact O-CA 3.35Å; H82-M94 HydrophobicContact CB-CB 4.35Å; H82-M94 PolarHBondContact N-O 2.94Å; H82-M94 PolarHBondContact O-N 2.61Å; H82-W139 HydrophobicContact CB-CZ3 4.11Å; H82-W139 AromaticContact CD2-CH2 3.91Å; H82-W139 AromaticContact CD2-CZ3 3.63Å; H82-W139 AromaticContact CE1-CH2 3.61Å; H82-W139 AromaticContact CG-CH2 3.96Å; H82-W139 AromaticContact CG-CZ3 3.6Å; H82-W139 AromaticContact ND1-CH2 3.76Å; H82-W139 AromaticContact ND1-CZ3 3.87Å; H82-W139 AromaticContact NE2-CH2 3.69Å; H82-W139 AromaticContact NE2-CZ3 3.92Å; H82-H181 AromaticContact CG-NE2 3.59Å; H82-H181 AromaticContact ND1-CE1 3.81Å; H82-H181 AromaticContact ND1-NE2 3.01Å; H82-H181 PolarHBondContact ND1-NE2 2.9Å
83	H	98.8	Very high	98.4	Very high	123 Å²	123	49.7 Å²	49.7	57%	0.569	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.9	124	174.2	-61.2	86.8	0	0	0	109	I91 L92	H83-I91 HydrophobicContact CB-CG2 4.18Å; H83-L92 CarbonylContact C-O 3.58Å; H83-L92 WeakPolarHBondContact CA-O 3.33Å
84	V	98.8	Very high	98.4	Very high	8 Å²	8	47.2 Å²	47.2	5%	0.048	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	120.8	-173.3	-177.1	0	0	0	0	109.4	L92 M94 A177 H181	V84-L92 PolarHBondContact N-O 2.83Å; V84-L92 PolarHBondContact O-N 2.86Å; V84-M94 HydrophobicContact CG2-CG 4.19Å; V84-M94 HydrophobicContact CG2-SD 3.75Å; V84-A177 HydrophobicContact CG1-CB 3.79Å; V84-H181 HydrophobicContact CG1-CB 4.08Å; V84-H181 HydrophobicContact CG2-CB 3.85Å
85	T	98.8	Very high	98.5	Very high	82 Å²	82	44.4 Å²	44.4	50%	0.503	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	125.9	176.6	-50	0	0	0	0	110.4	Y90 I91 T153	T85-Y90 WeakPolarHBondContact CA-O 3.43Å; T85-I91 HydrophobicContact CG2-CG1 4.4Å; T85-T153 HydrophobicContact CG2-CG2 3.86Å
86	T	98.8	Very high	98.6	Very high	7 Å²	7	41.5 Å²	41.5	4%	0.043	23%	0.23	C	C	.	.			trans	-77.9	162.7	175.9	57	0	0	0	0	111.9	D88 G89 Y90 L92 A177	T86-D88 WeakPolarHBondContact CB-OD1 3.27Å; T86-D88 PolarHBondContact O-N 3.06Å; T86-D88 PolarHBondContact OG1-OD1 3.34Å; T86-G89 PolarHBondContact O-N 2.8Å; T86-G89 PolarHBondContact OG1-N 2.51Å; T86-Y90 PolarHBondContact N-O 2.81Å; T86-Y90 WeakPolarHBondContact OG1-CA 3.4Å; T86-Y90 WeakPolarHBondContact OG1-CB 3.12Å; T86-Y90 PolarHBondContact OG1-N 3.1Å; T86-Y90 PolarHBondContact OG1-O 3.19Å; T86-L92 HydrophobicContact CG2-CD1 3.57Å; T86-L92 HydrophobicContact CG2-CD2 4.44Å; T86-L92 HydrophobicContact CG2-CG 3.9Å; T86-A177 HydrophobicContact CG2-CB 4.01Å
87	E	98.5	Very high	98.7	Very high	131 Å²	131	38.2 Å²	38.2	61%	0.612	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-31.7	178.5	-66.7	174.9	-158.7	0	0	112.9	Y173 R210	E87-Y173 HydrophobicContact CB-CD1 4.11Å; E87-R210 IonicContact OE1-CZ 2.7Å; E87-R210 IonicContact OE1-NH1 3.34Å; E87-R210 PolarHBondContact OE1-NH1 3.06Å; E87-R210 IonicContact OE1-NH2 3.67Å; E87-R210 PolarHBondContact OE1-NH2 3.22Å; E87-R210 IonicContact OE2-NH1 2.75Å
88	D	98.4	Very high	98.7	Very high	55 Å²	55	39.5 Å²	39.5	29%	0.294	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	3.9	179.3	67.8	-36.2	0	0	0	114.1	T86 R144 H152 Y173	T86-D88 WeakPolarHBondContact CB-OD1 3.27Å; T86-D88 PolarHBondContact O-N 3.06Å; T86-D88 PolarHBondContact OG1-OD1 3.34Å; D88-R144 IonicContact OD1-CZ 3.9Å; D88-R144 IonicContact OD1-NH1 4Å; D88-R144 IonicContact OD1-NH2 3.86Å; D88-R144 PolarHBondContact OD1-NH2 3.03Å; D88-R144 IonicContact OD2-CZ 3.19Å; D88-R144 IonicContact OD2-NH1 3.17Å; D88-R144 PolarHBondContact OD2-NH1 3.35Å; D88-R144 IonicContact OD2-NH2 2.87Å; D88-R144 PolarHBondContact OD2-NH2 3.36Å; D88-H152 PolarHBondContact O-CE1 2.97Å; D88-H152 VanDerWaalsContact O-CE1 3.23Å; D88-H152 PolarHBondContact O-NE2 3.38Å; D88-H152 VanDerWaalsContact O-NE2 3.07Å; D88-Y173 WeakPolarHBondContact OD1-CB 3.46Å
89	G	98.6	Very high	98.6	Very high	7 Å²	7	38.9 Å²	38.9	7%	0.072	20%	0.196	C	C	.	.	S	Bend	trans	101.3	-0.6	164.6	0	0	0	0	0	116.5	T86 H152 T153	T86-G89 PolarHBondContact O-N 2.8Å; T86-G89 PolarHBondContact OG1-N 2.51Å; G89-H152 CarbonylContact O-C 3.56Å; G89-H152 WeakPolarHBondContact O-CA 3.49Å; G89-H152 VanDerWaalsContact O-CG 3.28Å; G89-H152 PolarHBondContact O-ND1 2.66Å; G89-T153 WeakPolarHBondContact O-CG2 3.47Å; G89-T153 PolarHBondContact O-N 2.91Å; G89-T153 PolarHBondContact O-OG1 3.12Å
90	Y	98.8	Very high	98.4	Very high	9 Å²	9	43.9 Å²	43.9	4%	0.035	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-65.9	140.9	169.6	-71.3	-99.8	0	0	0	110.5	T85 T86 R144 H152 F162 F165	T85-Y90 WeakPolarHBondContact CA-O 3.43Å; T86-Y90 PolarHBondContact N-O 2.81Å; T86-Y90 WeakPolarHBondContact OG1-CA 3.4Å; T86-Y90 WeakPolarHBondContact OG1-CB 3.12Å; T86-Y90 PolarHBondContact OG1-N 3.1Å; T86-Y90 PolarHBondContact OG1-O 3.19Å; Y90-R144 HydrophobicContact CD1-CB 3.5Å; Y90-R144 VanDerWaalsContact CD1-CB 3.5Å; Y90-R144 HydrophobicContact CD1-CG 4.4Å; Y90-R144 VanDerWaalsContact CD2-CZ 3.43Å; Y90-R144 HydrophobicContact CE1-CB 4.01Å; Y90-R144 HydrophobicContact CG-CB 3.92Å; Y90-H152 AromaticContact CD1-CD2 3.92Å; Y90-H152 AromaticContact CD2-CD2 3.51Å; Y90-H152 AromaticContact CD2-NE2 3.71Å; Y90-H152 AromaticContact CE2-CD2 3.58Å; Y90-H152 AromaticContact CE2-NE2 3.69Å; Y90-H152 AromaticContact CG-CD2 3.68Å; Y90-H152 AromaticContact CZ-CD2 3.86Å; Y90-F162 HydrophobicContact CD1-CD2 4.4Å; Y90-F162 AromaticContact CD1-CE2 3.76Å; Y90-F162 HydrophobicContact CD1-CE2 3.76Å; Y90-F162 AromaticContact CD1-CZ 4Å; Y90-F162 HydrophobicContact CD1-CZ 4Å; Y90-F162 AromaticContact CE1-CD2 3.87Å; Y90-F162 HydrophobicContact CE1-CD2 3.87Å; Y90-F162 HydrophobicContact CE1-CE1 4.3Å; Y90-F162 AromaticContact CE1-CE2 3.61Å; Y90-F162 HydrophobicContact CE1-CE2 3.61Å; Y90-F162 HydrophobicContact CE1-CG 4.29Å; Y90-F162 AromaticContact CE1-CZ 3.82Å; Y90-F162 HydrophobicContact CE1-CZ 3.82Å; Y90-F162 WeakPolarHBondContact CE1-O 3.2Å; Y90-F162 PolarHBondContact OH-O 3.33Å; Y90-F165 HydrophobicContact CE1-CD1 4.1Å; Y90-F165 HydrophobicContact CE1-CE1 4.18Å
91	I	98.8	Very high	98.3	Very high	31 Å²	31	44.7 Å²	44.7	16%	0.159	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	110.9	176.9	-57.1	170.4	0	0	0	107.7	H83 T85 N151 T153	H83-I91 HydrophobicContact CB-CG2 4.18Å; T85-I91 HydrophobicContact CG2-CG1 4.4Å; I91-N151 HydrophobicContact CB-CB 4.11Å; I91-N151 PolarHBondContact N-O 2.96Å; I91-T153 HydrophobicContact CD1-CG2 4.37Å; I91-T153 HydrophobicContact CG1-CG2 4.42Å
92	L	98.9	Very high	98.3	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	135.2	-175.2	-48.4	-179.4	0	0	0	110.1	H83 V84 T86 R144 D174 M178	H83-L92 CarbonylContact C-O 3.58Å; H83-L92 WeakPolarHBondContact CA-O 3.33Å; V84-L92 PolarHBondContact N-O 2.83Å; V84-L92 PolarHBondContact O-N 2.86Å; T86-L92 HydrophobicContact CG2-CD1 3.57Å; T86-L92 HydrophobicContact CG2-CD2 4.44Å; T86-L92 HydrophobicContact CG2-CG 3.9Å; L92-R144 HydrophobicContact CD2-CB 3.88Å; L92-D174 HydrophobicContact CD1-CB 3.59Å; L92-M178 HydrophobicContact CD1-CE 3.64Å; L92-M178 HydrophobicContact CD1-CG 4.32Å
93	T	98.8	Very high	98.3	Very high	18 Å²	18	42.5 Å²	42.5	11%	0.11	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	119.9	172.6	-58.9	0	0	0	0	109.3	V81 H82 N142 Y148 S149	V81-T93 HydrophobicContact CG1-CG2 3.62Å; H82-T93 CarbonylContact O-C 3.55Å; H82-T93 WeakPolarHBondContact O-CA 3.35Å; T93-N142 VanDerWaalsContact O-CB 3.25Å; T93-N142 WeakPolarHBondContact O-CB 3.15Å; T93-N142 PolarHBondContact O-ND2 3.13Å; T93-Y148 WeakPolarHBondContact CB-O 3.36Å; T93-Y148 PolarHBondContact OG1-O 3.11Å; T93-S149 PolarHBondContact N-OG 2.52Å; T93-S149 VanDerWaalsContact N-OG 3.12Å
94	M	98.9	Very high	98.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	137.9	171.5	-59.7	-176.2	75.6	0	0	109.8	H82 V84 L106 W139 L140 M178 V182	H82-M94 HydrophobicContact CB-CB 4.35Å; H82-M94 PolarHBondContact N-O 2.94Å; H82-M94 PolarHBondContact O-N 2.61Å; V84-M94 HydrophobicContact CG2-CG 4.19Å; V84-M94 HydrophobicContact CG2-SD 3.75Å; M94-L106 HydrophobicContact CE-CD1 3.54Å; M94-W139 HydrophobicContact CE-CB 4.24Å; M94-W139 HydrophobicContact CE-CE3 4.07Å; M94-W139 HydrophobicContact SD-CE3 4.43Å; M94-L140 WeakPolarHBondContact CA-O 3.39Å; M94-M178 HydrophobicContact CE-CB 3.74Å; M94-M178 HydrophobicContact CE-CG 3.85Å; M94-M178 HydrophobicContact CE-SD 4.1Å; M94-M178 HydrophobicContact CG-CG 4.26Å; M94-M178 HydrophobicContact SD-CB 3.8Å; M94-M178 HydrophobicContact SD-CG 3.62Å; M94-M178 HydrophobicContact SD-SD 4.46Å; M94-V182 HydrophobicContact CE-CG2 3.97Å
95	H	98.9	Very high	98.3	Very high	3 Å²	3	36.3 Å²	36.3	1%	0.014	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	149.7	169.4	-56.6	106.8	0	0	0	109.5	V68 I72 E80 S115 L140 N142 Y148	V68-H95 HydrophobicContact CG1-CB 3.82Å; I72-H95 HydrophobicContact CD1-CB 4.5Å; E80-H95 CarbonylContact O-C 3.57Å; H95-S115 PolarHBondContact CE1-OG 3.07Å; H95-S115 PolarHBondContact ND1-OG 2.96Å; H95-L140 HydrophobicContact CB-CB 4.16Å; H95-L140 HydrophobicContact CB-CD1 4.1Å; H95-L140 PolarHBondContact N-O 3.48Å; H95-L140 PolarHBondContact O-N 3.21Å; H95-N142 PolarHBondContact ND1-ND2 2.93Å; H95-Y148 AromaticContact CE1-CD1 3.66Å; H95-Y148 AromaticContact CE1-CE1 3.89Å; H95-Y148 AromaticContact CE1-CG 3.84Å
96	R	98.8	Very high	98.3	Very high	9 Å²	9	32.4 Å²	32.4	3%	0.034	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	129.6	179.8	-176.9	-164.9	-178.2	-177.8	6.3	110.5	S79 E80 R98 D137 V138 W139	S79-R96 WeakPolarHBondContact CA-O 3.2Å; E80-R96 HydrophobicContact CB-CB 4.23Å; E80-R96 PolarHBondContact N-O 3.31Å; E80-R96 PolarHBondContact O-N 3.44Å; E80-R96 IonicContact OE1-NH1 3.56Å; E80-R96 VanDerWaalsContact OE2-CD 3.3Å; E80-R96 WeakPolarHBondContact OE2-CD 3.4Å; E80-R96 IonicContact OE2-CZ 3.76Å; E80-R96 IonicContact OE2-NE 3.75Å; E80-R96 IonicContact OE2-NH1 2.96Å; E80-R96 PolarHBondContact OE2-NH1 3.05Å; R96-R98 HydrophobicContact CG-CB 4.49Å; R96-D137 IonicContact CZ-OD1 3.11Å; R96-D137 IonicContact CZ-OD2 2.72Å; R96-D137 IonicContact NE-OD1 3.34Å; R96-D137 PolarHBondContact NE-OD1 3.27Å; R96-D137 IonicContact NE-OD2 2.74Å; R96-D137 PolarHBondContact NE-OD2 3.12Å; R96-D137 VanDerWaalsContact NH2-CG 3.27Å; R96-D137 IonicContact NH2-OD1 3.22Å; R96-D137 PolarHBondContact NH2-OD1 3Å; R96-D137 IonicContact NH2-OD2 3.14Å; R96-D137 PolarHBondContact NH2-OD2 3.4Å; R96-V138 CarbonylContact C-O 3.58Å; R96-V138 VanDerWaalsContact CA-O 3.24Å; R96-V138 WeakPolarHBondContact CA-O 3.21Å; R96-V138 WeakPolarHBondContact CG-O 3.38Å; R96-W139 HydrophobicContact CB-CD2 4.2Å; R96-W139 HydrophobicContact CB-CE3 4.14Å; R96-W139 HydrophobicContact CB-CZ3 4.47Å; R96-W139 VanDerWaalsContact CD-CZ2 3.48Å; R96-W139 HydrophobicContact CG-CD2 3.87Å; R96-W139 HydrophobicContact CG-CE3 4.28Å; R96-W139 HydrophobicContact CG-CG 4.26Å; R96-W139 HydrophobicContact CG-CZ2 4.23Å
97	I	98.8	Very high	98.3	Very high	3 Å²	3	32 Å²	32	2%	0.015	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	97.9	161.8	-52.3	-176.6	0	0	0	106.6	I72 Y77 E78 K99 A128 Y129 A132 V138	I72-I97 HydrophobicContact CD1-CD1 4.4Å; I72-I97 HydrophobicContact CD1-CG1 3.86Å; I72-I97 HydrophobicContact CG1-CD1 4.34Å; I72-I97 HydrophobicContact CG1-CG1 4.18Å; I72-I97 HydrophobicContact CG2-CD1 4.37Å; I72-I97 HydrophobicContact CG2-CG1 3.82Å; Y77-I97 HydrophobicContact CD1-CG2 3.67Å; Y77-I97 HydrophobicContact CG-CG2 4.12Å; E78-I97 CarbonylContact O-C 3.59Å; E78-I97 WeakPolarHBondContact O-CA 3.49Å; I97-K99 PolarHBondContact O-N 2.77Å; I97-A128 HydrophobicContact CD1-CB 3.73Å; I97-Y129 HydrophobicContact CD1-CD1 3.81Å; I97-Y129 HydrophobicContact CD1-CE1 3.99Å; I97-A132 HydrophobicContact CB-CB 4.41Å; I97-A132 HydrophobicContact CG2-CB 3.68Å; I97-V138 HydrophobicContact CB-CB 4.18Å; I97-V138 PolarHBondContact N-O 3.37Å; I97-V138 PolarHBondContact O-N 3.18Å; I97-V138 VanDerWaalsContact O-N 3.09Å
98	R	98.5	Very high	98.3	Very high	74 Å²	74	25.9 Å²	25.9	28%	0.279	14%	0.142	S	C	.	.			trans	-71.9	130.9	-169	174.5	162.1	169.5	-140.6	-0.6	111.4	E78 E80 R96 Q100 D137	E78-R98 HydrophobicContact CB-CB 4.27Å; E78-R98 HydrophobicContact CG-CB 4.07Å; E78-R98 PolarHBondContact O-N 2.84Å; E78-R98 WeakPolarHBondContact OE1-CD 3.42Å; E78-R98 IonicContact OE1-CZ 3.34Å; E78-R98 VanDerWaalsContact OE1-CZ 3.3Å; E78-R98 IonicContact OE1-NE 3.18Å; E78-R98 IonicContact OE1-NH1 3.45Å; E78-R98 PolarHBondContact OE1-NH1 3.29Å; E80-R98 VanDerWaalsContact CD-CD 3.46Å; E80-R98 HydrophobicContact CG-CB 4.42Å; E80-R98 WeakPolarHBondContact OE1-CD 3.44Å; E80-R98 IonicContact OE1-CZ 2.69Å; E80-R98 IonicContact OE1-NE 3.22Å; E80-R98 IonicContact OE1-NH1 2.63Å; E80-R98 PolarHBondContact OE1-NH1 3.15Å; R96-R98 HydrophobicContact CG-CB 4.49Å; R98-Q100 VanDerWaalsContact NE-OE1 3.11Å; R98-D137 WeakPolarHBondContact CA-OD1 3.32Å
99	K	97.4	Very high	98.3	Very high	90 Å²	90	23.6 Å²	23.6	39%	0.391	13%	0.129	S	C	.	.			trans	-134.7	94.1	167.7	-162.1	76.8	173.6	-171	0	110	I97 G101 A102 N135 Y136 D137	I97-K99 PolarHBondContact O-N 2.77Å; K99-G101 PolarHBondContact O-N 2.7Å; K99-A102 HydrophobicContact CB-CB 3.8Å; K99-A102 HydrophobicContact CG-CB 3.62Å; K99-A102 WeakPolarHBondContact O-CB 3.44Å; K99-A102 PolarHBondContact O-N 2.78Å; K99-A102 VanDerWaalsContact O-N 3.09Å; K99-N135 VanDerWaalsContact CE-OD1 3.22Å; K99-N135 WeakPolarHBondContact CE-OD1 2.9Å; K99-Y136 VanDerWaalsContact CB-O 3.27Å; K99-Y136 WeakPolarHBondContact CB-O 3.33Å; K99-D137 HydrophobicContact CB-CB 4.25Å; K99-D137 PolarHBondContact N-OD1 3.41Å
100	Q	93.5	Very high	98.3	Very high	138 Å²	138	23.3 Å²	23.3	65%	0.645	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	128.4	-174.7	-169.9	66.1	41.3	0	0	112.1	R98 A102	R98-Q100 VanDerWaalsContact NE-OE1 3.11Å; Q100-A102 PolarHBondContact O-N 3.2Å
101	G	95.8	Very high	98.1	Very high	61 Å²	61	24.7 Å²	24.7	63%	0.629	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.2	-0.5	178.2	0	0	0	0	0	115.3	K99	K99-G101 PolarHBondContact O-N 2.7Å
102	A	98.3	Very high	97.7	Very high	2 Å²	2	23.8 Å²	23.8	2%	0.017	13%	0.13	C	C	.	.	S	Bend	trans	-83	154.1	172.6	0	0	0	0	0	111.4	K99 Q100 N135 D137 F188	K99-A102 HydrophobicContact CB-CB 3.8Å; K99-A102 HydrophobicContact CG-CB 3.62Å; K99-A102 WeakPolarHBondContact O-CB 3.44Å; K99-A102 PolarHBondContact O-N 2.78Å; K99-A102 VanDerWaalsContact O-N 3.09Å; Q100-A102 PolarHBondContact O-N 3.2Å; A102-N135 WeakPolarHBondContact CB-O 3.39Å; A102-D137 HydrophobicContact CB-CB 4.24Å; A102-F188 VanDerWaalsContact O-CE2 3.28Å; A102-F188 WeakPolarHBondContact O-CE2 3.46Å; A102-F188 WeakPolarHBondContact O-CZ 3.39Å
103	P	98.6	Very high	97.6	Very high	42 Å²	42	24 Å²	24	27%	0.273	13%	0.131	S	C	.	.	P	Polyproline II helix	trans	-60.6	136.7	176.7	-21.9	33.1	0	0	0	111.7	Y136 D137 F188	P103-Y136 HydrophobicContact CB-CD1 4.08Å; P103-Y136 HydrophobicContact CB-CE1 4.17Å; P103-Y136 WeakPolarHBondContact O-CD1 3.48Å; P103-D137 PolarHBondContact O-N 2.8Å; P103-F188 HydrophobicContact CB-CE1 4.25Å; P103-F188 HydrophobicContact CG-CE1 4.32Å
104	P	98.9	Very high	97.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	140.1	177.2	23.4	-30.6	0	0	0	112.6	D137 V182 T186 F188 L191 H192	P104-D137 CarbonylContact C-O 3.45Å; P104-D137 VanDerWaalsContact CA-O 3.32Å; P104-D137 WeakPolarHBondContact CA-O 3.37Å; P104-V182 HydrophobicContact CB-CG1 3.46Å; P104-V182 VanDerWaalsContact CB-CG1 3.46Å; P104-V182 HydrophobicContact CG-CG1 4.18Å; P104-T186 HydrophobicContact CB-CG2 4.21Å; P104-F188 VanDerWaalsContact CD-CG 3.42Å; P104-F188 HydrophobicContact CG-CB 3.84Å; P104-F188 HydrophobicContact CG-CD2 4.36Å; P104-F188 HydrophobicContact CG-CG 4.1Å; P104-L191 HydrophobicContact CB-CB 3.91Å; P104-L191 HydrophobicContact CG-CB 3.71Å; P104-H192 PolarHBondContact O-N 2.96Å
105	F	98.9	Very high	97.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	112.2	175	-154.1	-55.9	0	0	0	109.7	L107 L131 Y136 D137 V138 W139 H192 A194 Q221 M410 L414	F105-L107 HydrophobicContact CD1-CD2 3.72Å; F105-L107 HydrophobicContact CD1-CG 4.42Å; F105-L107 HydrophobicContact CE1-CD2 3.64Å; F105-L131 HydrophobicContact CD1-CD1 3.86Å; F105-L131 HydrophobicContact CD2-CD1 4.18Å; F105-L131 HydrophobicContact CD2-CD2 3.95Å; F105-L131 HydrophobicContact CE1-CD1 3.99Å; F105-L131 HydrophobicContact CE2-CD1 4.31Å; F105-L131 HydrophobicContact CE2-CD2 3.86Å; F105-L131 HydrophobicContact CG-CD1 3.98Å; F105-L131 HydrophobicContact CZ-CD1 4.23Å; F105-L131 HydrophobicContact CZ-CD2 4.37Å; F105-Y136 HydrophobicContact CB-CD1 4.2Å; F105-Y136 HydrophobicContact CB-CG 4.22Å; F105-Y136 AromaticContact CD2-CD1 3.88Å; F105-Y136 HydrophobicContact CD2-CD1 3.88Å; F105-Y136 HydrophobicContact CD2-CD2 4.04Å; F105-Y136 AromaticContact CD2-CE1 3.94Å; F105-Y136 HydrophobicContact CD2-CE1 3.94Å; F105-Y136 HydrophobicContact CD2-CE2 4.05Å; F105-Y136 AromaticContact CD2-CG 3.94Å; F105-Y136 HydrophobicContact CD2-CG 3.94Å; F105-Y136 HydrophobicContact CE2-CE2 4.37Å; F105-D137 PolarHBondContact N-O 2.82Å; F105-V138 WeakPolarHBondContact O-CA 3.45Å; F105-W139 PolarHBondContact O-N 3.04Å; F105-H192 CarbonylContact C-O 3.42Å; F105-H192 WeakPolarHBondContact CA-O 3.38Å; F105-H192 HydrophobicContact CB-CB 4.4Å; F105-H192 HydrophobicContact CD1-CB 4.18Å; F105-H192 HydrophobicContact CD2-CB 3.39Å; F105-H192 HydrophobicContact CE1-CB 4.24Å; F105-H192 HydrophobicContact CE2-CB 3.47Å; F105-H192 VanDerWaalsContact CE2-CB 3.47Å; F105-H192 HydrophobicContact CG-CB 3.75Å; F105-H192 HydrophobicContact CZ-CB 3.9Å; F105-A194 HydrophobicContact CE1-CB 3.7Å; F105-A194 HydrophobicContact CZ-CB 4.24Å; F105-Q221 HydrophobicContact CZ-CG 4.21Å; F105-M410 HydrophobicContact CE1-CE 4.34Å; F105-M410 HydrophobicContact CE2-CE 4.48Å; F105-M410 HydrophobicContact CZ-CE 3.74Å; F105-L414 HydrophobicContact CE2-CD1 3.68Å; F105-L414 HydrophobicContact CE2-CD2 3.94Å; F105-L414 HydrophobicContact CE2-CG 4.49Å; F105-L414 HydrophobicContact CZ-CD1 4.22Å; F105-L414 HydrophobicContact CZ-CD2 4.48Å
106	L	99	Very high	97.4	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	122.9	177.6	-179.8	57.2	0	0	0	110.7	M94 W139 M178 I179 L191 H192 Y193 A194	M94-L106 HydrophobicContact CE-CD1 3.54Å; L106-W139 CarbonylContact C-O 3.57Å; L106-W139 WeakPolarHBondContact CA-O 3.33Å; L106-W139 HydrophobicContact CD1-CB 3.96Å; L106-M178 HydrophobicContact CD2-CB 4.17Å; L106-I179 HydrophobicContact CD2-CG1 3.97Å; L106-L191 HydrophobicContact CB-CD1 4.02Å; L106-L191 HydrophobicContact CB-CD2 4.41Å; L106-H192 PolarHBondContact N-O 3.35Å; L106-Y193 HydrophobicContact CB-CD2 4.1Å; L106-Y193 HydrophobicContact CD2-CD2 3.86Å; L106-Y193 HydrophobicContact CD2-CE2 3.85Å; L106-Y193 HydrophobicContact CG-CD2 3.98Å; L106-Y193 HydrophobicContact CG-CE2 4.06Å; L106-Y193 CarbonylContact O-C 3.55Å; L106-Y193 WeakPolarHBondContact O-CA 3.41Å; L106-A194 PolarHBondContact O-N 3.23Å
107	L	98.9	Very high	97.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	131.1	170.7	-55.7	-177.6	0	0	0	109.8	F105 F118 L127 A128 L131 V138 W139 L140 G141 A194	F105-L107 HydrophobicContact CD1-CD2 3.72Å; F105-L107 HydrophobicContact CD1-CG 4.42Å; F105-L107 HydrophobicContact CE1-CD2 3.64Å; L107-F118 HydrophobicContact CB-CD1 4.35Å; L107-F118 HydrophobicContact CB-CD2 3.83Å; L107-F118 HydrophobicContact CB-CE1 4.34Å; L107-F118 HydrophobicContact CB-CE2 3.81Å; L107-F118 HydrophobicContact CB-CG 4.1Å; L107-F118 HydrophobicContact CB-CZ 4.07Å; L107-F118 HydrophobicContact CD1-CB 3.93Å; L107-F118 HydrophobicContact CD1-CD1 3.93Å; L107-F118 HydrophobicContact CD1-CD2 4.38Å; L107-F118 HydrophobicContact CD1-CG 3.83Å; L107-L127 HydrophobicContact CD1-CD2 4.3Å; L107-L127 HydrophobicContact CD1-CG 4.18Å; L107-L127 HydrophobicContact CD2-CD2 3.96Å; L107-L127 HydrophobicContact CD2-CG 4.43Å; L107-A128 HydrophobicContact CD1-CB 3.99Å; L107-L131 HydrophobicContact CD1-CD1 4.1Å; L107-L131 HydrophobicContact CD2-CD1 3.77Å; L107-L131 HydrophobicContact CG-CD1 4.3Å; L107-V138 HydrophobicContact CD1-CG1 3.95Å; L107-V138 HydrophobicContact CG-CG1 4.2Å; L107-W139 PolarHBondContact N-O 3.41Å; L107-L140 HydrophobicContact CB-CD2 3.94Å; L107-L140 HydrophobicContact CD1-CD2 3.69Å; L107-L140 HydrophobicContact CG-CD2 4.16Å; L107-G141 PolarHBondContact O-N 3.06Å; L107-A194 WeakPolarHBondContact CA-O 3.49Å; L107-A194 HydrophobicContact CD2-CB 3.66Å
108	Q	98.9	Very high	97.3	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.009	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	128.2	177.4	-175.1	63.5	26.9	0	0	111.6	F118 L175 Y193 A194 G195 H196	Q108-F118 WeakPolarHBondContact O-CZ 3.38Å; Q108-L175 HydrophobicContact CG-CD2 4.08Å; Q108-Y193 HydrophobicContact CB-CE1 4.31Å; Q108-Y193 HydrophobicContact CB-CE2 4.18Å; Q108-Y193 WeakPolarHBondContact CB-OH 3.09Å; Q108-Y193 WeakPolarHBondContact CG-OH 3.36Å; Q108-A194 PolarHBondContact N-O 3.08Å; Q108-G195 WeakPolarHBondContact O-CA 3.28Å; Q108-H196 PolarHBondContact O-N 3.34Å
109	H	98.6	Very high	97.3	Very high	6 Å²	6	19 Å²	19	3%	0.028	11%	0.111	C	C	.	.			trans	-77.2	168	-174.7	67.7	76.8	0	0	0	113.1	D113 S114 F118 G141 A143 N146 H196 G199	H109-D113 HydrophobicContact CB-CB 4.04Å; H109-D113 PolarHBondContact CE1-O 3.49Å; H109-D113 PolarHBondContact ND1-O 3.2Å; H109-D113 VanDerWaalsContact ND1-O 3.09Å; H109-S114 WeakPolarHBondContact CB-O 3.32Å; H109-S114 VanDerWaalsContact CD2-C 3.46Å; H109-S114 VanDerWaalsContact CD2-CA 3.44Å; H109-S114 WeakPolarHBondContact CD2-CA 3.44Å; H109-F118 HydrophobicContact CB-CE2 4.03Å; H109-G141 PolarHBondContact CD2-O 2.87Å; H109-A143 PolarHBondContact NE2-N 3.27Å; H109-N146 PolarHBondContact NE2-ND2 2.93Å; H109-H196 CarbonylContact C-O 3.51Å; H109-G199 WeakPolarHBondContact O-CA 3.42Å; H109-G199 PolarHBondContact O-N 2.87Å
110	G	97.7	Very high	97.2	Very high	2 Å²	2	14.9 Å²	14.9	2%	0.021	9%	0.093	C	C	.	.			trans	-80.9	-174.2	176	0	0	0	0	0	114.6	D113 H196	G110-D113 PolarHBondContact O-N 3.43Å; G110-H196 VanDerWaalsContact CA-O 3.26Å; G110-H196 WeakPolarHBondContact CA-O 3.4Å; G110-H196 PolarHBondContact N-O 2.93Å
111	L	94.6	Very high	97.3	Very high	38 Å²	38	9.1 Å²	9.1	20%	0.199	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	144.5	172.4	-173.9	77.1	0	0	0	109.3	D113 Q198 V306 Q310 V311 F314	L111-D113 PolarHBondContact O-N 3.19Å; L111-D113 VanDerWaalsContact O-N 3.11Å; L111-Q198 HydrophobicContact CB-CB 4.19Å; L111-V306 HydrophobicContact CD1-CB 4.24Å; L111-V306 HydrophobicContact CD1-CG1 3.74Å; L111-V306 HydrophobicContact CG-CG1 4.16Å; L111-Q310 HydrophobicContact CD1-CB 3.64Å; L111-Q310 HydrophobicContact CD1-CG 4.41Å; L111-V311 HydrophobicContact CD2-CG2 4.31Å; L111-F314 HydrophobicContact CB-CE2 4.4Å; L111-F314 HydrophobicContact CD1-CE2 4.34Å; L111-F314 HydrophobicContact CD2-CD2 4.04Å; L111-F314 HydrophobicContact CD2-CE2 4.2Å
112	V	91.9	Very high	97.2	Very high	12 Å²	12	6.4 Å²	6.4	7%	0.073	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	-1.9	178.8	-165.3	0	0	0	0	114	F257 Y302 P303 A304 V306	V112-F257 HydrophobicContact CG1-CB 3.81Å; V112-F257 HydrophobicContact CG1-CD2 4.27Å; V112-F257 HydrophobicContact CG1-CG 4Å; V112-F257 HydrophobicContact CG2-CD2 4.01Å; V112-F257 HydrophobicContact CG2-CE2 4.25Å; V112-Y302 HydrophobicContact CB-CE2 3.95Å; V112-Y302 HydrophobicContact CG1-CE1 4.5Å; V112-Y302 HydrophobicContact CG1-CE2 3.96Å; V112-Y302 WeakPolarHBondContact O-CD2 3.01Å; V112-Y302 WeakPolarHBondContact O-CE2 3.43Å; V112-P303 HydrophobicContact CG1-CB 3.12Å; V112-P303 HydrophobicContact CG1-CG 4.49Å; V112-P303 CarbonylContact O-C 3.52Å; V112-P303 WeakPolarHBondContact O-CA 3.26Å; V112-A304 PolarHBondContact O-N 3.23Å; V112-V306 HydrophobicContact CG2-CG1 4.27Å; V112-V306 HydrophobicContact CG2-CG2 4.17Å
113	D	95	Very high	97	Very high	4 Å²	4	7.9 Å²	7.9	2%	0.021	5%	0.048	C	C	.	.			trans	-106.9	-179.1	-177.1	-163.4	12.1	0	0	0	112.4	H109 G110 L111 N146 Y302	H109-D113 HydrophobicContact CB-CB 4.04Å; H109-D113 PolarHBondContact CE1-O 3.49Å; H109-D113 PolarHBondContact ND1-O 3.2Å; H109-D113 VanDerWaalsContact ND1-O 3.09Å; G110-D113 PolarHBondContact O-N 3.43Å; L111-D113 PolarHBondContact O-N 3.19Å; L111-D113 VanDerWaalsContact O-N 3.11Å; D113-N146 PolarHBondContact O-ND2 2.94Å; D113-Y302 HydrophobicContact CB-CD2 4.13Å; D113-Y302 HydrophobicContact CB-CE2 4.15Å
114	S	97.5	Very high	96.6	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.059	C	C	.	.			trans	-143.5	-179.4	174.6	68.5	0	0	0	0	110.7	H109 A116 G117 N142 N146 Y148	H109-S114 WeakPolarHBondContact CB-O 3.32Å; H109-S114 VanDerWaalsContact CD2-C 3.46Å; H109-S114 VanDerWaalsContact CD2-CA 3.44Å; H109-S114 WeakPolarHBondContact CD2-CA 3.44Å; S114-A116 PolarHBondContact O-N 3.48Å; S114-A116 VanDerWaalsContact OG-CB 3.29Å; S114-A116 WeakPolarHBondContact OG-CB 3.42Å; S114-A116 PolarHBondContact OG-N 2.78Å; S114-G117 PolarHBondContact O-N 2.81Å; S114-N142 WeakPolarHBondContact CB-OD1 3.48Å; S114-N146 WeakPolarHBondContact CB-ND2 3.23Å; S114-Y148 WeakPolarHBondContact OG-CE2 3.35Å
115	S	98.4	Very high	96.4	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-47.6	-25.5	167.6	51.8	0	0	0	0	114.6	H95 G117 F118 N142	H95-S115 PolarHBondContact CE1-OG 3.07Å; H95-S115 PolarHBondContact ND1-OG 2.96Å; S115-G117 VanDerWaalsContact C-N 3.26Å; S115-G117 PolarHBondContact O-N 3.12Å; S115-F118 PolarHBondContact O-N 3.37Å; S115-N142 PolarHBondContact N-OD1 3.25Å; S115-N142 PolarHBondContact OG-ND2 2.94Å; S115-N142 PolarHBondContact OG-OD1 3.22Å; S115-N142 VanDerWaalsContact OG-OD1 3.09Å
116	A	97.7	Very high	96.4	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-59.1	-34.8	176.8	0	0	0	0	0	112.8	V68 S114 F118 V119 V120 H301	V68-A116 HydrophobicContact CG2-CB 3.54Å; S114-A116 PolarHBondContact O-N 3.48Å; S114-A116 VanDerWaalsContact OG-CB 3.29Å; S114-A116 WeakPolarHBondContact OG-CB 3.42Å; S114-A116 PolarHBondContact OG-N 2.78Å; A116-F118 PolarHBondContact O-N 3.46Å; A116-V119 VanDerWaalsContact O-CG2 3.3Å; A116-V119 WeakPolarHBondContact O-CG2 3.15Å; A116-V119 PolarHBondContact O-N 3.47Å; A116-V120 HydrophobicContact CB-CG1 3.9Å; A116-V120 VanDerWaalsContact O-CG1 3.24Å; A116-V120 WeakPolarHBondContact O-CG1 3.49Å; A116-V120 WeakPolarHBondContact O-CG2 3.4Å; A116-V120 PolarHBondContact O-N 3.36Å; A116-H301 HydrophobicContact CB-CB 3.62Å
117	G	97.1	Very high	96.3	Very high	2 Å²	2	12.3 Å²	12.3	2%	0.021	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-54.2	-25	-179.1	0	0	0	0	0	114.3	S114 S115 W398	S114-G117 PolarHBondContact O-N 2.81Å; S115-G117 VanDerWaalsContact C-N 3.26Å; S115-G117 PolarHBondContact O-N 3.12Å; G117-W398 PolarHBondContact O-NE1 2.91Å
118	F	98.6	Very high	96.3	Very high	1 Å²	1	12.3 Å²	12.3	0%	0.004	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-93.9	0.3	178.5	-61.8	-70.5	0	0	0	115.4	L107 Q108 H109 S115 A116 S126 L127 A128 L140 H196 L397	L107-F118 HydrophobicContact CB-CD1 4.35Å; L107-F118 HydrophobicContact CB-CD2 3.83Å; L107-F118 HydrophobicContact CB-CE1 4.34Å; L107-F118 HydrophobicContact CB-CE2 3.81Å; L107-F118 HydrophobicContact CB-CG 4.1Å; L107-F118 HydrophobicContact CB-CZ 4.07Å; L107-F118 HydrophobicContact CD1-CB 3.93Å; L107-F118 HydrophobicContact CD1-CD1 3.93Å; L107-F118 HydrophobicContact CD1-CD2 4.38Å; L107-F118 HydrophobicContact CD1-CG 3.83Å; Q108-F118 WeakPolarHBondContact O-CZ 3.38Å; H109-F118 HydrophobicContact CB-CE2 4.03Å; S115-F118 PolarHBondContact O-N 3.37Å; A116-F118 PolarHBondContact O-N 3.46Å; F118-S126 WeakPolarHBondContact O-CB 3.49Å; F118-L127 HydrophobicContact CD1-CB 4.29Å; F118-L127 HydrophobicContact CD1-CD2 4.16Å; F118-L127 HydrophobicContact CE1-CD2 4.25Å; F118-A128 HydrophobicContact CB-CB 4.11Å; F118-A128 VanDerWaalsContact O-CB 3.22Å; F118-A128 WeakPolarHBondContact O-CB 2.91Å; F118-A128 PolarHBondContact O-N 3.18Å; F118-L140 HydrophobicContact CB-CD2 4.04Å; F118-L140 HydrophobicContact CD2-CD2 4.41Å; F118-H196 HydrophobicContact CE1-CB 4.49Å; F118-H196 HydrophobicContact CZ-CB 4.22Å; F118-L397 HydrophobicContact CD1-CD2 3.72Å; F118-L397 HydrophobicContact CE1-CD2 3.56Å; F118-L397 HydrophobicContact CZ-CD2 4.39Å
119	V	98.2	Very high	96.3	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.5	-19.8	-177.4	-64.9	0	0	0	0	114.6	V68 L71 I72 A116 M121 G122 S126 A128 Y129 L140	V68-V119 HydrophobicContact CG1-CG2 4.07Å; V68-V119 HydrophobicContact CG2-CG2 4.37Å; L71-V119 HydrophobicContact CD2-CG2 4.12Å; I72-V119 HydrophobicContact CD1-CG1 4.26Å; I72-V119 HydrophobicContact CG1-CG1 4.04Å; A116-V119 VanDerWaalsContact O-CG2 3.3Å; A116-V119 WeakPolarHBondContact O-CG2 3.15Å; A116-V119 PolarHBondContact O-N 3.47Å; V119-M121 PolarHBondContact O-N 3.33Å; V119-M121 VanDerWaalsContact O-N 3.12Å; V119-G122 PolarHBondContact O-N 3.05Å; V119-S126 PolarHBondContact O-OG 3.48Å; V119-A128 HydrophobicContact CG1-CB 3.72Å; V119-Y129 HydrophobicContact CB-CE2 3.87Å; V119-Y129 HydrophobicContact CG1-CE2 4.17Å; V119-Y129 WeakPolarHBondContact O-CE2 3.38Å; V119-L140 HydrophobicContact CG1-CD1 3.93Å
120	V	95.7	Very high	96.3	Very high	2 Å²	2	12 Å²	12	1%	0.012	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-23.3	-170.3	-75.9	0	0	0	0	115.2	A116 G122 M294 V297 H301	A116-V120 HydrophobicContact CB-CG1 3.9Å; A116-V120 VanDerWaalsContact O-CG1 3.24Å; A116-V120 WeakPolarHBondContact O-CG1 3.49Å; A116-V120 WeakPolarHBondContact O-CG2 3.4Å; A116-V120 PolarHBondContact O-N 3.36Å; V120-G122 PolarHBondContact O-N 3.06Å; V120-M294 WeakPolarHBondContact O-CE 3.39Å; V120-V297 HydrophobicContact CB-CG1 4.27Å; V120-V297 HydrophobicContact CG1-CG1 4.44Å; V120-H301 HydrophobicContact CG1-CB 3.75Å; V120-H301 VanDerWaalsContact CG1-CD2 3.49Å; V120-H301 WeakPolarHBondContact CG1-CD2 3.44Å
121	M	95.1	Very high	96.3	Very high	17 Å²	17	12 Å²	12	8%	0.084	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	3.6	177	-56.8	-56.1	-65.9	0	0	113.1	V119 V125 S126 N291 M294 I298 W398	V119-M121 PolarHBondContact O-N 3.33Å; V119-M121 VanDerWaalsContact O-N 3.12Å; M121-V125 HydrophobicContact CB-CB 3.93Å; M121-V125 HydrophobicContact CB-CG1 3.64Å; M121-V125 HydrophobicContact CG-CG1 4.3Å; M121-S126 VanDerWaalsContact C-OG 3.25Å; M121-S126 WeakPolarHBondContact CA-OG 3.37Å; M121-S126 WeakPolarHBondContact CB-OG 3.28Å; M121-S126 PolarHBondContact N-OG 2.86Å; M121-S126 VanDerWaalsContact N-OG 3.1Å; M121-N291 HydrophobicContact CE-CB 4.05Å; M121-M294 HydrophobicContact CE-CB 3.95Å; M121-M294 HydrophobicContact CE-CG 3.84Å; M121-M294 HydrophobicContact SD-CB 4.15Å; M121-M294 HydrophobicContact SD-CG 4.43Å; M121-I298 HydrophobicContact SD-CD1 4.3Å; M121-W398 WeakPolarHBondContact CE-O 3.47Å; M121-W398 HydrophobicContact CG-CB 4.29Å; M121-W398 HydrophobicContact CG-CG 4.44Å; M121-W398 HydrophobicContact SD-CB 3.98Å; M121-W398 HydrophobicContact SD-CG 4.26Å
122	G	94.6	Very high	96.5	Very high	4 Å²	4	10.4 Å²	10.4	4%	0.041	6%	0.061	C	C	.	.			trans	73.5	-178.1	-179.5	0	0	0	0	0	114.1	V119 V120 S126 Y129	V119-G122 PolarHBondContact O-N 3.05Å; V120-G122 PolarHBondContact O-N 3.06Å; G122-S126 PolarHBondContact N-OG 3.07Å; G122-S126 WeakPolarHBondContact O-CB 3.06Å; G122-S126 PolarHBondContact O-N 3.35Å; G122-S126 PolarHBondContact O-OG 2.69Å; G122-Y129 VanDerWaalsContact C-CD2 3.4Å; G122-Y129 VanDerWaalsContact O-CD2 3.25Å; G122-Y129 WeakPolarHBondContact O-CD2 3.19Å
123	P	94.2	Very high	96.7	Very high	34 Å²	34	13.9 Å²	13.9	22%	0.221	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	161	177.8	-23.8	35.3	0	0	0	112.4	Y75 Y77 V125 Y129	Y75-P123 HydrophobicContact CD1-CG 3.42Å; Y75-P123 VanDerWaalsContact CD1-CG 3.42Å; Y75-P123 HydrophobicContact CD2-CG 4.34Å; Y75-P123 VanDerWaalsContact CE1-CD 3.49Å; Y75-P123 HydrophobicContact CE1-CG 4.07Å; Y75-P123 HydrophobicContact CG-CG 3.57Å; Y77-P123 HydrophobicContact CE2-CB 4.44Å; Y77-P123 HydrophobicContact CE2-CG 4.14Å; P123-V125 PolarHBondContact O-N 3.23Å; P123-Y129 HydrophobicContact CG-CD2 4.46Å
124	N	89.7	Confident	96.8	Very high	95 Å²	95	16.2 Å²	16.2	51%	0.508	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	-16.9	-176.7	-66.4	-62.2	0	0	0	117.2	R403	N124-R403 WeakPolarHBondContact O-CD 3.39Å; N124-R403 PolarHBondContact O-NH1 3.25Å; N124-R403 VanDerWaalsContact O-NH1 3.14Å; N124-R403 PolarHBondContact OD1-NH1 3.22Å
125	V	94.7	Very high	96.8	Very high	37 Å²	37	20.2 Å²	20.2	22%	0.224	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-55.9	176.4	-176.6	0	0	0	0	110.2	M121 P123 L130 V402 Y407	M121-V125 HydrophobicContact CB-CB 3.93Å; M121-V125 HydrophobicContact CB-CG1 3.64Å; M121-V125 HydrophobicContact CG-CG1 4.3Å; P123-V125 PolarHBondContact O-N 3.23Å; V125-L130 WeakPolarHBondContact O-CD1 3.21Å; V125-V402 HydrophobicContact CG1-CG1 3.83Å; V125-Y407 WeakPolarHBondContact O-CD2 3.25Å; V125-Y407 WeakPolarHBondContact O-CE2 3.18Å
126	S	97.7	Very high	96.8	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.014	11%	0.112	C	C	.	.	S	Bend	trans	-70.2	140.4	-170.1	-37.5	0	0	0	0	112.9	F118 V119 M121 G122 A128 Y129 L130	F118-S126 WeakPolarHBondContact O-CB 3.49Å; V119-S126 PolarHBondContact O-OG 3.48Å; M121-S126 VanDerWaalsContact C-OG 3.25Å; M121-S126 WeakPolarHBondContact CA-OG 3.37Å; M121-S126 WeakPolarHBondContact CB-OG 3.28Å; M121-S126 PolarHBondContact N-OG 2.86Å; M121-S126 VanDerWaalsContact N-OG 3.1Å; G122-S126 PolarHBondContact N-OG 3.07Å; G122-S126 WeakPolarHBondContact O-CB 3.06Å; G122-S126 PolarHBondContact O-N 3.35Å; G122-S126 PolarHBondContact O-OG 2.69Å; S126-A128 VanDerWaalsContact C-N 3.31Å; S126-A128 PolarHBondContact O-N 2.7Å; S126-Y129 PolarHBondContact O-N 3.28Å; S126-L130 PolarHBondContact O-N 2.78Å; S126-L130 VanDerWaalsContact O-N 3.16Å
127	L	98.5	Very high	96.9	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-57.4	-39.9	-173.6	-178.9	56.5	0	0	0	113.3	L107 F118 Y129 L130 L131 L223 Y407 M410	L107-L127 HydrophobicContact CD1-CD2 4.3Å; L107-L127 HydrophobicContact CD1-CG 4.18Å; L107-L127 HydrophobicContact CD2-CD2 3.96Å; L107-L127 HydrophobicContact CD2-CG 4.43Å; F118-L127 HydrophobicContact CD1-CB 4.29Å; F118-L127 HydrophobicContact CD1-CD2 4.16Å; F118-L127 HydrophobicContact CE1-CD2 4.25Å; L127-Y129 PolarHBondContact O-N 3.22Å; L127-L130 PolarHBondContact O-N 2.96Å; L127-L131 HydrophobicContact CD1-CD1 3.92Å; L127-L131 HydrophobicContact CD1-CG 3.93Å; L127-L131 HydrophobicContact CG-CD1 3.86Å; L127-L131 HydrophobicContact CG-CG 4.32Å; L127-L131 WeakPolarHBondContact O-CG 3.36Å; L127-L131 PolarHBondContact O-N 2.81Å; L127-L223 HydrophobicContact CD2-CD1 3.99Å; L127-Y407 HydrophobicContact CB-CD1 4.49Å; L127-Y407 HydrophobicContact CB-CE1 3.87Å; L127-Y407 HydrophobicContact CB-CE2 4.16Å; L127-Y407 HydrophobicContact CD1-CD1 3.72Å; L127-Y407 HydrophobicContact CD1-CE1 3.88Å; L127-Y407 HydrophobicContact CD1-CG 4.19Å; L127-Y407 HydrophobicContact CD2-CE1 4.06Å; L127-Y407 HydrophobicContact CG-CD1 4.49Å; L127-Y407 HydrophobicContact CG-CE1 4.14Å; L127-M410 HydrophobicContact CD1-CE 3.85Å; L127-M410 HydrophobicContact CD1-SD 3.96Å; L127-M410 HydrophobicContact CD2-CE 4.11Å; L127-M410 HydrophobicContact CD2-SD 4.33Å
128	A	98.7	Very high	97	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.9	-46.4	-176.9	0	0	0	0	0	111.9	I97 L107 F118 V119 S126 L131 A132 V138 L140	I97-A128 HydrophobicContact CD1-CB 3.73Å; L107-A128 HydrophobicContact CD1-CB 3.99Å; F118-A128 HydrophobicContact CB-CB 4.11Å; F118-A128 VanDerWaalsContact O-CB 3.22Å; F118-A128 WeakPolarHBondContact O-CB 2.91Å; F118-A128 PolarHBondContact O-N 3.18Å; V119-A128 HydrophobicContact CG1-CB 3.72Å; S126-A128 VanDerWaalsContact C-N 3.31Å; S126-A128 PolarHBondContact O-N 2.7Å; A128-L131 PolarHBondContact O-N 2.94Å; A128-A132 PolarHBondContact O-N 3.09Å; A128-V138 HydrophobicContact CB-CG1 4.17Å; A128-L140 HydrophobicContact CB-CD2 3.83Å
129	Y	98.4	Very high	97	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.5	-43.5	176.3	-60.6	-59.2	0	0	0	111.4	I72 Y75 Y77 I97 V119 G122 P123 S126 L127 L131 A132 D133	I72-Y129 HydrophobicContact CG1-CE1 4.3Å; Y75-Y129 WeakPolarHBondContact CD2-OH 3.47Å; Y77-Y129 HydrophobicContact CD1-CD1 4.12Å; Y77-Y129 AromaticContact CD2-CD1 3.55Å; Y77-Y129 HydrophobicContact CD2-CD1 3.55Å; Y77-Y129 AromaticContact CD2-CE1 3.57Å; Y77-Y129 HydrophobicContact CD2-CE1 3.57Å; Y77-Y129 AromaticContact CE1-CD1 3.9Å; Y77-Y129 HydrophobicContact CE1-CD1 3.9Å; Y77-Y129 AromaticContact CE2-CD1 3.33Å; Y77-Y129 HydrophobicContact CE2-CD1 3.33Å; Y77-Y129 AromaticContact CE2-CE1 3.74Å; Y77-Y129 HydrophobicContact CE2-CE1 3.74Å; Y77-Y129 HydrophobicContact CE2-CG 4.14Å; Y77-Y129 AromaticContact CG-CD1 3.96Å; Y77-Y129 HydrophobicContact CG-CD1 3.96Å; Y77-Y129 HydrophobicContact CG-CE1 4.1Å; Y77-Y129 AromaticContact CZ-CD1 3.51Å; I97-Y129 HydrophobicContact CD1-CD1 3.81Å; I97-Y129 HydrophobicContact CD1-CE1 3.99Å; V119-Y129 HydrophobicContact CB-CE2 3.87Å; V119-Y129 HydrophobicContact CG1-CE2 4.17Å; V119-Y129 WeakPolarHBondContact O-CE2 3.38Å; G122-Y129 VanDerWaalsContact C-CD2 3.4Å; G122-Y129 VanDerWaalsContact O-CD2 3.25Å; G122-Y129 WeakPolarHBondContact O-CD2 3.19Å; P123-Y129 HydrophobicContact CG-CD2 4.46Å; S126-Y129 PolarHBondContact O-N 3.28Å; L127-Y129 PolarHBondContact O-N 3.22Å; Y129-L131 VanDerWaalsContact C-N 3.3Å; Y129-L131 PolarHBondContact O-N 2.82Å; Y129-A132 PolarHBondContact O-N 2.99Å; Y129-D133 WeakPolarHBondContact O-CB 3.2Å; Y129-D133 VanDerWaalsContact O-CG 3.29Å; Y129-D133 PolarHBondContact O-N 3.47Å
130	L	97.8	Very high	97	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-60.2	-38.8	177.8	-69.9	175.6	0	0	0	112.6	V125 S126 L127 H134 R403 Y407	V125-L130 WeakPolarHBondContact O-CD1 3.21Å; S126-L130 PolarHBondContact O-N 2.78Å; S126-L130 VanDerWaalsContact O-N 3.16Å; L127-L130 PolarHBondContact O-N 2.96Å; L130-H134 PolarHBondContact O-N 3.17Å; L130-H134 PolarHBondContact O-ND1 3.3Å; L130-R403 HydrophobicContact CD1-CB 4.4Å; L130-R403 HydrophobicContact CD1-CG 4.22Å; L130-Y407 HydrophobicContact CD1-CD2 3.48Å; L130-Y407 VanDerWaalsContact CD1-CD2 3.48Å; L130-Y407 HydrophobicContact CD1-CE2 4.3Å; L130-Y407 HydrophobicContact CD1-CG 4.07Å
131	L	98.6	Very high	97.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-68.9	-42.5	176	-72.1	170.1	0	0	0	111.7	F105 L107 L127 A128 Y129 D133 H134 N135 Y136 V138 M410 L411 L414	F105-L131 HydrophobicContact CD1-CD1 3.86Å; F105-L131 HydrophobicContact CD2-CD1 4.18Å; F105-L131 HydrophobicContact CD2-CD2 3.95Å; F105-L131 HydrophobicContact CE1-CD1 3.99Å; F105-L131 HydrophobicContact CE2-CD1 4.31Å; F105-L131 HydrophobicContact CE2-CD2 3.86Å; F105-L131 HydrophobicContact CG-CD1 3.98Å; F105-L131 HydrophobicContact CZ-CD1 4.23Å; F105-L131 HydrophobicContact CZ-CD2 4.37Å; L107-L131 HydrophobicContact CD1-CD1 4.1Å; L107-L131 HydrophobicContact CD2-CD1 3.77Å; L107-L131 HydrophobicContact CG-CD1 4.3Å; L127-L131 HydrophobicContact CD1-CD1 3.92Å; L127-L131 HydrophobicContact CD1-CG 3.93Å; L127-L131 HydrophobicContact CG-CD1 3.86Å; L127-L131 HydrophobicContact CG-CG 4.32Å; L127-L131 WeakPolarHBondContact O-CG 3.36Å; L127-L131 PolarHBondContact O-N 2.81Å; A128-L131 PolarHBondContact O-N 2.94Å; Y129-L131 VanDerWaalsContact C-N 3.3Å; Y129-L131 PolarHBondContact O-N 2.82Å; L131-D133 VanDerWaalsContact C-N 3.31Å; L131-D133 PolarHBondContact O-N 2.83Å; L131-H134 CarbonylContact O-C 3.55Å; L131-H134 PolarHBondContact O-N 3.32Å; L131-N135 PolarHBondContact O-N 2.87Å; L131-Y136 HydrophobicContact CB-CD2 4.23Å; L131-Y136 HydrophobicContact CD2-CD2 3.75Å; L131-Y136 HydrophobicContact CD2-CE2 3.98Å; L131-Y136 WeakPolarHBondContact O-CB 3.35Å; L131-Y136 PolarHBondContact O-N 2.9Å; L131-Y136 VanDerWaalsContact O-N 3.16Å; L131-V138 HydrophobicContact CB-CG2 3.67Å; L131-M410 HydrophobicContact CD1-CE 4.44Å; L131-M410 HydrophobicContact CD2-CE 4.36Å; L131-L411 HydrophobicContact CD2-CD2 4.22Å; L131-L414 HydrophobicContact CD2-CD1 3.99Å
132	A	98.2	Very high	97.3	Very high	5 Å²	5	19.5 Å²	19.5	4%	0.041	11%	0.107	C	C	.	.	H	α-helix	trans	-59.6	-42.3	175.6	0	0	0	0	0	111.7	Y77 I97 A128 Y129 H134 N135 V138	Y77-A132 HydrophobicContact CD1-CB 4.26Å; Y77-A132 HydrophobicContact CE1-CB 4.12Å; I97-A132 HydrophobicContact CB-CB 4.41Å; I97-A132 HydrophobicContact CG2-CB 3.68Å; A128-A132 PolarHBondContact O-N 3.09Å; Y129-A132 PolarHBondContact O-N 2.99Å; A132-H134 PolarHBondContact O-N 2.81Å; A132-N135 PolarHBondContact O-N 2.84Å; A132-V138 HydrophobicContact CB-CG2 4.12Å
133	D	97.1	Very high	97.5	Very high	86 Å²	86	19.4 Å²	19.4	46%	0.46	11%	0.106	S	C	.	.	H	α-helix	trans	-63.5	-26.7	175.4	-71.9	-18.8	0	0	0	112.9	Y77 Y129 L131 N135	Y77-D133 PolarHBondContact OH-OD1 3.13Å; Y129-D133 WeakPolarHBondContact O-CB 3.2Å; Y129-D133 VanDerWaalsContact O-CG 3.29Å; Y129-D133 PolarHBondContact O-N 3.47Å; L131-D133 VanDerWaalsContact C-N 3.31Å; L131-D133 PolarHBondContact O-N 2.83Å; D133-N135 VanDerWaalsContact C-N 3.28Å; D133-N135 PolarHBondContact O-N 2.92Å
134	H	97.3	Very high	97.7	Very high	52 Å²	52	18 Å²	18	24%	0.241	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	24	174.3	-67.6	81.3	0	0	0	113.2	L130 L131 A132 L411 K416	L130-H134 PolarHBondContact O-N 3.17Å; L130-H134 PolarHBondContact O-ND1 3.3Å; L131-H134 CarbonylContact O-C 3.55Å; L131-H134 PolarHBondContact O-N 3.32Å; A132-H134 PolarHBondContact O-N 2.81Å; H134-L411 HydrophobicContact CB-CD2 4.16Å; H134-K416 HydrophobicContact CB-CB 4.28Å; H134-K416 HydrophobicContact CB-CD 4.46Å; H134-K416 HydrophobicContact CB-CG 4.26Å; H134-K416 PolarHBondContact O-NZ 2.77Å; H134-K416 VanDerWaalsContact O-NZ 3.16Å
135	N	97.2	Very high	98	Very high	85 Å²	85	13.4 Å²	13.4	46%	0.455	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	48.9	172.6	-158.5	52.9	0	0	0	112.9	K99 A102 L131 A132 D133	K99-N135 VanDerWaalsContact CE-OD1 3.22Å; K99-N135 WeakPolarHBondContact CE-OD1 2.9Å; A102-N135 WeakPolarHBondContact CB-O 3.39Å; L131-N135 PolarHBondContact O-N 2.87Å; A132-N135 PolarHBondContact O-N 2.84Å; D133-N135 VanDerWaalsContact C-N 3.28Å; D133-N135 PolarHBondContact O-N 2.92Å
136	Y	98.7	Very high	98.1	Very high	4 Å²	4	11.9 Å²	11.9	2%	0.016	6%	0.062	C	C	.	.			trans	-106.2	149.8	162.9	-74.4	-70	0	0	0	110.6	K99 P103 F105 L131 H192 L414 K416	K99-Y136 VanDerWaalsContact CB-O 3.27Å; K99-Y136 WeakPolarHBondContact CB-O 3.33Å; P103-Y136 HydrophobicContact CB-CD1 4.08Å; P103-Y136 HydrophobicContact CB-CE1 4.17Å; P103-Y136 WeakPolarHBondContact O-CD1 3.48Å; F105-Y136 HydrophobicContact CB-CD1 4.2Å; F105-Y136 HydrophobicContact CB-CG 4.22Å; F105-Y136 AromaticContact CD2-CD1 3.88Å; F105-Y136 HydrophobicContact CD2-CD1 3.88Å; F105-Y136 HydrophobicContact CD2-CD2 4.04Å; F105-Y136 AromaticContact CD2-CE1 3.94Å; F105-Y136 HydrophobicContact CD2-CE1 3.94Å; F105-Y136 HydrophobicContact CD2-CE2 4.05Å; F105-Y136 AromaticContact CD2-CG 3.94Å; F105-Y136 HydrophobicContact CD2-CG 3.94Å; F105-Y136 HydrophobicContact CE2-CE2 4.37Å; L131-Y136 HydrophobicContact CB-CD2 4.23Å; L131-Y136 HydrophobicContact CD2-CD2 3.75Å; L131-Y136 HydrophobicContact CD2-CE2 3.98Å; L131-Y136 WeakPolarHBondContact O-CB 3.35Å; L131-Y136 PolarHBondContact O-N 2.9Å; L131-Y136 VanDerWaalsContact O-N 3.16Å; Y136-H192 AromaticContact CE1-CD2 3.53Å; Y136-H192 AromaticContact CE1-NE2 3.78Å; Y136-L414 HydrophobicContact CE2-CD1 4.32Å; Y136-K416 HydrophobicContact CE2-CD 4.24Å; Y136-K416 HydrophobicContact CE2-CG 3.97Å; Y136-K416 WeakPolarHBondContact OH-CE 3.32Å
137	D	98.8	Very high	97.9	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.011	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	104.9	166.4	-178.3	39.4	0	0	0	108.4	R96 R98 K99 A102 P103 P104 F105 W139 T186	R96-D137 IonicContact CZ-OD1 3.11Å; R96-D137 IonicContact CZ-OD2 2.72Å; R96-D137 IonicContact NE-OD1 3.34Å; R96-D137 PolarHBondContact NE-OD1 3.27Å; R96-D137 IonicContact NE-OD2 2.74Å; R96-D137 PolarHBondContact NE-OD2 3.12Å; R96-D137 VanDerWaalsContact NH2-CG 3.27Å; R96-D137 IonicContact NH2-OD1 3.22Å; R96-D137 PolarHBondContact NH2-OD1 3Å; R96-D137 IonicContact NH2-OD2 3.14Å; R96-D137 PolarHBondContact NH2-OD2 3.4Å; R98-D137 WeakPolarHBondContact CA-OD1 3.32Å; K99-D137 HydrophobicContact CB-CB 4.25Å; K99-D137 PolarHBondContact N-OD1 3.41Å; A102-D137 HydrophobicContact CB-CB 4.24Å; P103-D137 PolarHBondContact O-N 2.8Å; P104-D137 CarbonylContact C-O 3.45Å; P104-D137 VanDerWaalsContact CA-O 3.32Å; P104-D137 WeakPolarHBondContact CA-O 3.37Å; F105-D137 PolarHBondContact N-O 2.82Å; D137-W139 PolarHBondContact OD2-NE1 3.44Å; D137-T186 WeakPolarHBondContact OD2-CG2 3.44Å
138	V	98.9	Very high	97.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	125	-164.6	-174.1	0	0	0	0	110.3	R96 I97 F105 L107 A128 L131 A132 L140	R96-V138 CarbonylContact C-O 3.58Å; R96-V138 VanDerWaalsContact CA-O 3.24Å; R96-V138 WeakPolarHBondContact CA-O 3.21Å; R96-V138 WeakPolarHBondContact CG-O 3.38Å; I97-V138 HydrophobicContact CB-CB 4.18Å; I97-V138 PolarHBondContact N-O 3.37Å; I97-V138 PolarHBondContact O-N 3.18Å; I97-V138 VanDerWaalsContact O-N 3.09Å; F105-V138 WeakPolarHBondContact O-CA 3.45Å; L107-V138 HydrophobicContact CD1-CG1 3.95Å; L107-V138 HydrophobicContact CG-CG1 4.2Å; A128-V138 HydrophobicContact CB-CG1 4.17Å; L131-V138 HydrophobicContact CB-CG2 3.67Å; A132-V138 HydrophobicContact CB-CG2 4.12Å; V138-L140 HydrophobicContact CG1-CD2 4.05Å
139	W	98.9	Very high	97.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	134.4	176.7	-67.9	78.4	0	0	0	109.2	H82 M94 R96 F105 L106 L107 D137 H181 V182 V185 T186	H82-W139 HydrophobicContact CB-CZ3 4.11Å; H82-W139 AromaticContact CD2-CH2 3.91Å; H82-W139 AromaticContact CD2-CZ3 3.63Å; H82-W139 AromaticContact CE1-CH2 3.61Å; H82-W139 AromaticContact CG-CH2 3.96Å; H82-W139 AromaticContact CG-CZ3 3.6Å; H82-W139 AromaticContact ND1-CH2 3.76Å; H82-W139 AromaticContact ND1-CZ3 3.87Å; H82-W139 AromaticContact NE2-CH2 3.69Å; H82-W139 AromaticContact NE2-CZ3 3.92Å; M94-W139 HydrophobicContact CE-CB 4.24Å; M94-W139 HydrophobicContact CE-CE3 4.07Å; M94-W139 HydrophobicContact SD-CE3 4.43Å; R96-W139 HydrophobicContact CB-CD2 4.2Å; R96-W139 HydrophobicContact CB-CE3 4.14Å; R96-W139 HydrophobicContact CB-CZ3 4.47Å; R96-W139 VanDerWaalsContact CD-CZ2 3.48Å; R96-W139 HydrophobicContact CG-CD2 3.87Å; R96-W139 HydrophobicContact CG-CE3 4.28Å; R96-W139 HydrophobicContact CG-CG 4.26Å; R96-W139 HydrophobicContact CG-CZ2 4.23Å; F105-W139 PolarHBondContact O-N 3.04Å; L106-W139 CarbonylContact C-O 3.57Å; L106-W139 WeakPolarHBondContact CA-O 3.33Å; L106-W139 HydrophobicContact CD1-CB 3.96Å; L107-W139 PolarHBondContact N-O 3.41Å; D137-W139 PolarHBondContact OD2-NE1 3.44Å; W139-H181 AromaticContact CZ3-CD2 3.78Å; W139-V182 HydrophobicContact CB-CG2 4.07Å; W139-V182 HydrophobicContact CD2-CB 4.44Å; W139-V182 HydrophobicContact CD2-CG1 4.33Å; W139-V182 HydrophobicContact CD2-CG2 3.55Å; W139-V182 HydrophobicContact CE3-CG2 3.77Å; W139-V182 HydrophobicContact CG-CG1 4.17Å; W139-V182 HydrophobicContact CG-CG2 3.69Å; W139-V182 HydrophobicContact CZ3-CG2 4.35Å; W139-V185 HydrophobicContact CH2-CB 4.05Å; W139-V185 HydrophobicContact CH2-CG1 3.88Å; W139-V185 HydrophobicContact CH2-CG2 4.29Å; W139-V185 HydrophobicContact CZ2-CB 4.12Å; W139-V185 HydrophobicContact CZ2-CG1 3.85Å; W139-T186 HydrophobicContact CZ2-CG2 4.03Å
140	L	98.9	Very high	97.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	105.5	-177.1	-51.7	171.5	0	0	0	107.7	V68 I72 M94 H95 L107 F118 V119 A128 V138	V68-L140 HydrophobicContact CG1-CD1 4.15Å; I72-L140 HydrophobicContact CD1-CD1 3.87Å; M94-L140 WeakPolarHBondContact CA-O 3.39Å; H95-L140 HydrophobicContact CB-CB 4.16Å; H95-L140 HydrophobicContact CB-CD1 4.1Å; H95-L140 PolarHBondContact N-O 3.48Å; H95-L140 PolarHBondContact O-N 3.21Å; L107-L140 HydrophobicContact CB-CD2 3.94Å; L107-L140 HydrophobicContact CD1-CD2 3.69Å; L107-L140 HydrophobicContact CG-CD2 4.16Å; F118-L140 HydrophobicContact CB-CD2 4.04Å; F118-L140 HydrophobicContact CD2-CD2 4.41Å; V119-L140 HydrophobicContact CG1-CD1 3.93Å; A128-L140 HydrophobicContact CB-CD2 3.83Å; V138-L140 HydrophobicContact CG1-CD2 4.05Å
141	G	98.8	Very high	97.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	145.9	179.4	0	0	0	0	0	111.7	L107 H109	L107-G141 PolarHBondContact O-N 3.06Å; H109-G141 PolarHBondContact CD2-O 2.87Å
142	N	98.8	Very high	97.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.116	C	C	.	.			trans	-119	126	163.9	-71.4	-66.6	0	0	0	108.9	T93 H95 S114 S115 N146 Y148 S149 M178	T93-N142 VanDerWaalsContact O-CB 3.25Å; T93-N142 WeakPolarHBondContact O-CB 3.15Å; T93-N142 PolarHBondContact O-ND2 3.13Å; H95-N142 PolarHBondContact ND1-ND2 2.93Å; S114-N142 WeakPolarHBondContact CB-OD1 3.48Å; S115-N142 PolarHBondContact N-OD1 3.25Å; S115-N142 PolarHBondContact OG-ND2 2.94Å; S115-N142 PolarHBondContact OG-OD1 3.22Å; S115-N142 VanDerWaalsContact OG-OD1 3.09Å; N142-N146 WeakPolarHBondContact CB-ND2 3.4Å; N142-N146 PolarHBondContact OD1-ND2 3.28Å; N142-Y148 WeakPolarHBondContact OD1-CD2 3.24Å; N142-S149 WeakPolarHBondContact CB-OG 3.32Å; N142-S149 PolarHBondContact O-OG 2.98Å; N142-M178 WeakPolarHBondContact O-CE 3.14Å
143	A	98.6	Very high	97.7	Very high	3 Å²	3	28 Å²	28	3%	0.025	14%	0.138	C	C	.	.			trans	-70	152.8	175.1	0	0	0	0	0	111.2	H109 G145 N146 S149 I170	H109-A143 PolarHBondContact NE2-N 3.27Å; A143-G145 PolarHBondContact O-N 3.37Å; A143-N146 PolarHBondContact O-N 2.82Å; A143-S149 WeakPolarHBondContact O-CB 3.22Å; A143-I170 HydrophobicContact CB-CD1 3.69Å; A143-I170 HydrophobicContact CB-CG1 4.16Å; A143-I170 HydrophobicContact CB-CG2 4.12Å
144	R	98.5	Very high	97.8	Very high	3 Å²	3	29.2 Å²	29.2	1%	0.011	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.3	137.3	171.6	61.6	179.8	66.7	-160.4	-8.8	112.1	D88 Y90 L92 N146 F165 I170 Y173 D174	D88-R144 IonicContact OD1-CZ 3.9Å; D88-R144 IonicContact OD1-NH1 4Å; D88-R144 IonicContact OD1-NH2 3.86Å; D88-R144 PolarHBondContact OD1-NH2 3.03Å; D88-R144 IonicContact OD2-CZ 3.19Å; D88-R144 IonicContact OD2-NH1 3.17Å; D88-R144 PolarHBondContact OD2-NH1 3.35Å; D88-R144 IonicContact OD2-NH2 2.87Å; D88-R144 PolarHBondContact OD2-NH2 3.36Å; Y90-R144 HydrophobicContact CD1-CB 3.5Å; Y90-R144 VanDerWaalsContact CD1-CB 3.5Å; Y90-R144 HydrophobicContact CD1-CG 4.4Å; Y90-R144 VanDerWaalsContact CD2-CZ 3.43Å; Y90-R144 HydrophobicContact CE1-CB 4.01Å; Y90-R144 HydrophobicContact CG-CB 3.92Å; L92-R144 HydrophobicContact CD2-CB 3.88Å; R144-N146 VanDerWaalsContact C-N 3.27Å; R144-N146 PolarHBondContact O-N 3.48Å; R144-F165 HydrophobicContact CB-CZ 4.44Å; R144-F165 VanDerWaalsContact CD-CD2 3.44Å; R144-F165 HydrophobicContact CG-CD1 4.21Å; R144-F165 HydrophobicContact CG-CD2 3.59Å; R144-F165 HydrophobicContact CG-CE1 4.12Å; R144-F165 HydrophobicContact CG-CE2 3.49Å; R144-F165 VanDerWaalsContact CG-CE2 3.49Å; R144-F165 HydrophobicContact CG-CG 3.95Å; R144-F165 HydrophobicContact CG-CZ 3.79Å; R144-F165 WeakPolarHBondContact O-CE2 3.43Å; R144-F165 WeakPolarHBondContact O-CZ 3.48Å; R144-I170 HydrophobicContact CG-CG1 4.2Å; R144-Y173 VanDerWaalsContact NH2-CB 3.29Å; R144-D174 WeakPolarHBondContact CG-OD2 3.27Å; R144-D174 IonicContact CZ-OD1 3.73Å; R144-D174 PolarHBondContact N-OD2 2.63Å; R144-D174 IonicContact NE-OD1 2.68Å; R144-D174 PolarHBondContact NE-OD1 2.74Å; R144-D174 IonicContact NE-OD2 2.68Å; R144-D174 PolarHBondContact NE-OD2 2.79Å; R144-D174 IonicContact NH2-OD1 3.89Å; R144-D174 PolarHBondContact NH2-OD1 2.96Å
145	G	95.8	Very high	97.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	1.7	175.6	0	0	0	0	0	116.7	A143 S149 W163	A143-G145 PolarHBondContact O-N 3.37Å; G145-S149 PolarHBondContact N-O 2.85Å; G145-W163 VanDerWaalsContact O-CH2 3.31Å; G145-W163 WeakPolarHBondContact O-CH2 3.23Å; G145-W163 WeakPolarHBondContact O-CZ3 3.34Å
146	N	95.2	Very high	97.7	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.021	14%	0.141	C	C	.	.	S	Bend	trans	-73.9	168.1	158.8	88.8	3	0	0	0	109.9	H109 D113 S114 N142 A143 R144 Y148 S149 R150 A304	H109-N146 PolarHBondContact NE2-ND2 2.93Å; D113-N146 PolarHBondContact O-ND2 2.94Å; S114-N146 WeakPolarHBondContact CB-ND2 3.23Å; N142-N146 WeakPolarHBondContact CB-ND2 3.4Å; N142-N146 PolarHBondContact OD1-ND2 3.28Å; A143-N146 PolarHBondContact O-N 2.82Å; R144-N146 VanDerWaalsContact C-N 3.27Å; R144-N146 PolarHBondContact O-N 3.48Å; N146-Y148 PolarHBondContact O-N 3.15Å; N146-Y148 PolarHBondContact OD1-N 3.32Å; N146-S149 CarbonylContact O-C 3.48Å; N146-S149 PolarHBondContact O-N 2.95Å; N146-S149 PolarHBondContact OD1-N 2.95Å; N146-R150 WeakPolarHBondContact O-CG 3.43Å; N146-R150 PolarHBondContact O-N 2.94Å; N146-A304 CarbonylContact C-O 3.48Å; N146-A304 VanDerWaalsContact CA-O 3.26Å; N146-A304 WeakPolarHBondContact CA-O 3.47Å
147	R	94.4	Very high	97.5	Very high	60 Å²	60	28.4 Å²	28.4	23%	0.226	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-27	-173.4	70.7	169.8	69.6	-177.7	8.8	115	G300 H301 P303 A304	R147-G300 PolarHBondContact NH1-O 3.05Å; R147-G300 PolarHBondContact NH2-O 3.41Å; R147-G300 VanDerWaalsContact NH2-O 3.16Å; R147-H301 PolarHBondContact NH2-O 2.89Å; R147-P303 PolarHBondContact NH2-O 3.02Å; R147-A304 HydrophobicContact CG-CB 4.19Å; R147-A304 PolarHBondContact N-O 3.3Å
148	Y	97.2	Very high	97.2	Very high	41 Å²	41	33.7 Å²	33.7	16%	0.161	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-16.3	179.9	-62.9	-71.8	0	0	0	113.2	V68 T93 H95 S114 N142 N146	V68-Y148 HydrophobicContact CG2-CE2 4.11Å; V68-Y148 WeakPolarHBondContact CG2-OH 3.49Å; T93-Y148 WeakPolarHBondContact CB-O 3.36Å; T93-Y148 PolarHBondContact OG1-O 3.11Å; H95-Y148 AromaticContact CE1-CD1 3.66Å; H95-Y148 AromaticContact CE1-CE1 3.89Å; H95-Y148 AromaticContact CE1-CG 3.84Å; S114-Y148 WeakPolarHBondContact OG-CE2 3.35Å; N142-Y148 WeakPolarHBondContact OD1-CD2 3.24Å; N146-Y148 PolarHBondContact O-N 3.15Å; N146-Y148 PolarHBondContact OD1-N 3.32Å
149	S	98	Very high	96.8	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.007	20%	0.2	C	C	.	.			trans	-127.3	41.5	-174	-53.7	0	0	0	0	112.4	T93 N142 A143 G145 N146 N151	T93-S149 PolarHBondContact N-OG 2.52Å; T93-S149 VanDerWaalsContact N-OG 3.12Å; N142-S149 WeakPolarHBondContact CB-OG 3.32Å; N142-S149 PolarHBondContact O-OG 2.98Å; A143-S149 WeakPolarHBondContact O-CB 3.22Å; G145-S149 PolarHBondContact N-O 2.85Å; N146-S149 CarbonylContact O-C 3.48Å; N146-S149 PolarHBondContact O-N 2.95Å; N146-S149 PolarHBondContact OD1-N 2.95Å; S149-N151 VanDerWaalsContact C-N 3.25Å; S149-N151 PolarHBondContact O-N 3.49Å
150	R	96.5	Very high	96.5	Very high	66 Å²	66	41.7 Å²	41.7	25%	0.249	22%	0.22	C	C	.	.			trans	-85.9	55.7	170.7	-69.6	174.2	58.2	87	6.5	111	N146 P157 D158 E255	N146-R150 WeakPolarHBondContact O-CG 3.43Å; N146-R150 PolarHBondContact O-N 2.94Å; R150-P157 HydrophobicContact CB-CB 4.28Å; R150-P157 HydrophobicContact CB-CG 4.43Å; R150-P157 WeakPolarHBondContact O-CG 3.05Å; R150-D158 IonicContact NH2-OD1 3.97Å; R150-D158 PolarHBondContact NH2-OD1 3.46Å; R150-E255 IonicContact CZ-OE1 3.5Å; R150-E255 IonicContact CZ-OE2 3.6Å; R150-E255 IonicContact NH1-OE1 3.63Å; R150-E255 PolarHBondContact NH1-OE1 3.43Å; R150-E255 IonicContact NH1-OE2 2.63Å; R150-E255 PolarHBondContact NH1-OE2 3.12Å; R150-E255 IonicContact NH2-OE2 2.83Å
151	N	97.8	Very high	96.3	Very high	81 Å²	81	48.5 Å²	48.5	43%	0.433	25%	0.25	S	C	.	.			trans	-149.4	147.9	-177.1	-161.7	-3.8	0	0	0	111.8	I91 S149	I91-N151 HydrophobicContact CB-CB 4.11Å; I91-N151 PolarHBondContact N-O 2.96Å; S149-N151 VanDerWaalsContact C-N 3.25Å; S149-N151 PolarHBondContact O-N 3.49Å
152	H	98.6	Very high	96.2	Very high	18 Å²	18	48.5 Å²	48.5	8%	0.083	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-151.6	153.5	-178.7	-163.4	-68	0	0	0	110.2	D88 G89 Y90 T154 L155 F162	D88-H152 PolarHBondContact O-CE1 2.97Å; D88-H152 VanDerWaalsContact O-CE1 3.23Å; D88-H152 PolarHBondContact O-NE2 3.38Å; D88-H152 VanDerWaalsContact O-NE2 3.07Å; G89-H152 CarbonylContact O-C 3.56Å; G89-H152 WeakPolarHBondContact O-CA 3.49Å; G89-H152 VanDerWaalsContact O-CG 3.28Å; G89-H152 PolarHBondContact O-ND1 2.66Å; Y90-H152 AromaticContact CD1-CD2 3.92Å; Y90-H152 AromaticContact CD2-CD2 3.51Å; Y90-H152 AromaticContact CD2-NE2 3.71Å; Y90-H152 AromaticContact CE2-CD2 3.58Å; Y90-H152 AromaticContact CE2-NE2 3.69Å; Y90-H152 AromaticContact CG-CD2 3.68Å; Y90-H152 AromaticContact CZ-CD2 3.86Å; H152-T154 PolarHBondContact CE1-OG1 3.14Å; H152-T154 PolarHBondContact ND1-N 2.98Å; H152-T154 VanDerWaalsContact ND1-N 3.17Å; H152-T154 PolarHBondContact ND1-OG1 2.8Å; H152-T154 PolarHBondContact O-N 2.88Å; H152-T154 VanDerWaalsContact O-N 3.17Å; H152-L155 HydrophobicContact CB-CB 3.95Å; H152-L155 WeakPolarHBondContact CB-O 3.36Å; H152-L155 PolarHBondContact ND1-N 3.19Å; H152-L155 WeakPolarHBondContact NE2-CD1 3.2Å; H152-F162 HydrophobicContact CB-CD2 4.01Å; H152-F162 HydrophobicContact CB-CE2 4.01Å
153	T	98.4	Very high	96	Very high	81 Å²	81	49.1 Å²	49.1	50%	0.497	25%	0.252	S	S	.	.	S	Bend	trans	-64	-17.5	177.1	57	0	0	0	0	115.2	T85 G89 I91	T85-T153 HydrophobicContact CG2-CG2 3.86Å; G89-T153 WeakPolarHBondContact O-CG2 3.47Å; G89-T153 PolarHBondContact O-N 2.91Å; G89-T153 PolarHBondContact O-OG1 3.12Å; I91-T153 HydrophobicContact CD1-CG2 4.37Å; I91-T153 HydrophobicContact CG1-CG2 4.42Å
154	T	98	Very high	95.9	Very high	113 Å²	113	53.7 Å²	53.7	69%	0.693	28%	0.276	S	S	*	.	S	Bend	trans	-153.6	-25.8	-169.7	56.6	0	0	0	0	114.2	H152	H152-T154 PolarHBondContact CE1-OG1 3.14Å; H152-T154 PolarHBondContact ND1-N 2.98Å; H152-T154 VanDerWaalsContact ND1-N 3.17Å; H152-T154 PolarHBondContact ND1-OG1 2.8Å; H152-T154 PolarHBondContact O-N 2.88Å; H152-T154 VanDerWaalsContact O-N 3.17Å
155	L	97.5	Very high	95.8	Very high	29 Å²	29	53.6 Å²	53.6	15%	0.152	28%	0.275	C	S	.	.			trans	-91.4	138.9	179.3	-56.8	-177.5	0	0	0	110.9	H152 K161 F162	H152-L155 HydrophobicContact CB-CB 3.95Å; H152-L155 WeakPolarHBondContact CB-O 3.36Å; H152-L155 PolarHBondContact ND1-N 3.19Å; H152-L155 WeakPolarHBondContact NE2-CD1 3.2Å; L155-K161 HydrophobicContact CD1-CG 4.14Å; L155-K161 HydrophobicContact CD2-CB 4.25Å; L155-K161 HydrophobicContact CD2-CD 3.61Å; L155-K161 HydrophobicContact CD2-CG 3.82Å; L155-F162 HydrophobicContact CB-CB 4.18Å; L155-F162 HydrophobicContact CB-CD2 4.22Å
156	D	95.8	Very high	95.9	Very high	72 Å²	72	53.6 Å²	53.6	39%	0.385	28%	0.275	S	S	.	.			trans	-84	125.1	173.8	-172.3	-23.5	0	0	0	110.3	D158 E159 F162	D156-D158 PolarHBondContact O-N 3.28Å; D156-D158 VanDerWaalsContact O-N 3.09Å; D156-D158 PolarHBondContact OD1-N 2.89Å; D156-E159 HydrophobicContact CB-CB 4.28Å; D156-E159 HydrophobicContact CB-CG 3.95Å; D156-E159 PolarHBondContact O-N 2.75Å; D156-F162 WeakPolarHBondContact O-CB 3.47Å
157	P	94.5	Very high	96	Very high	23 Å²	23	53.4 Å²	53.4	15%	0.149	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-17.7	173	-24.2	34	0	0	0	115.7	R150 F162 W163	R150-P157 HydrophobicContact CB-CB 4.28Å; R150-P157 HydrophobicContact CB-CG 4.43Å; R150-P157 WeakPolarHBondContact O-CG 3.05Å; P157-F162 HydrophobicContact CB-CD1 4.21Å; P157-F162 HydrophobicContact CB-CD2 4.42Å; P157-F162 HydrophobicContact CB-CE1 4.25Å; P157-F162 HydrophobicContact CB-CE2 4.46Å; P157-F162 HydrophobicContact CB-CG 4.33Å; P157-F162 HydrophobicContact CB-CZ 4.4Å; P157-F162 HydrophobicContact CG-CD2 4.2Å; P157-F162 HydrophobicContact CG-CE2 4.09Å; P157-F162 HydrophobicContact CG-CZ 4.38Å; P157-W163 PolarHBondContact O-NE1 3.05Å
158	D	91	Very high	96.2	Very high	113 Å²	113	52 Å²	52	60%	0.604	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-8	176.9	-61.4	-28	0	0	0	112.4	R150 D156 R254	R150-D158 IonicContact NH2-OD1 3.97Å; R150-D158 PolarHBondContact NH2-OD1 3.46Å; D156-D158 PolarHBondContact O-N 3.28Å; D156-D158 VanDerWaalsContact O-N 3.09Å; D156-D158 PolarHBondContact OD1-N 2.89Å; D158-R254 PolarHBondContact O-NH1 2.94Å
159	E	92.1	Very high	96.3	Very high	108 Å²	108	51.6 Å²	51.6	51%	0.505	27%	0.27	S	S	.	.	S	Bend	trans	-98.6	150.2	179.7	-70.6	-169.7	178.3	0	0	114.4	D156 K161 F162 W163	D156-E159 HydrophobicContact CB-CB 4.28Å; D156-E159 HydrophobicContact CB-CG 3.95Å; D156-E159 PolarHBondContact O-N 2.75Å; E159-K161 PolarHBondContact O-N 2.86Å; E159-K161 VanDerWaalsContact O-N 3.09Å; E159-F162 PolarHBondContact O-N 2.85Å; E159-W163 VanDerWaalsContact O-CD1 3.31Å
160	S	91.8	Very high	96.3	Very high	60 Å²	60	51.6 Å²	51.6	42%	0.42	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-52.6	-36.2	179.5	-73.4	0	0	0	0	114.2	F162 W163 R254	S160-F162 VanDerWaalsContact C-N 3.29Å; S160-F162 PolarHBondContact O-N 3.49Å; S160-W163 PolarHBondContact O-N 3.19Å; S160-R254 VanDerWaalsContact N-NH1 3.15Å; S160-R254 PolarHBondContact OG-NE 3.43Å; S160-R254 PolarHBondContact OG-NH2 2.93Å
161	K	94.4	Very high	96.4	Very high	143 Å²	143	48.4 Å²	48.4	62%	0.622	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-68.5	-30.8	-171	-167.8	173.4	173.5	-170.1	0	111.8	L155 E159 W163 D164	L155-K161 HydrophobicContact CD1-CG 4.14Å; L155-K161 HydrophobicContact CD2-CB 4.25Å; L155-K161 HydrophobicContact CD2-CD 3.61Å; L155-K161 HydrophobicContact CD2-CG 3.82Å; E159-K161 PolarHBondContact O-N 2.86Å; E159-K161 VanDerWaalsContact O-N 3.09Å; K161-W163 PolarHBondContact O-N 2.94Å; K161-D164 PolarHBondContact O-N 3.16Å
162	F	97.1	Very high	96.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-64.9	-23.7	172.4	179.9	-86.7	0	0	0	112.8	Y90 H152 L155 D156 P157 E159 S160 F165	Y90-F162 HydrophobicContact CD1-CD2 4.4Å; Y90-F162 AromaticContact CD1-CE2 3.76Å; Y90-F162 HydrophobicContact CD1-CE2 3.76Å; Y90-F162 AromaticContact CD1-CZ 4Å; Y90-F162 HydrophobicContact CD1-CZ 4Å; Y90-F162 AromaticContact CE1-CD2 3.87Å; Y90-F162 HydrophobicContact CE1-CD2 3.87Å; Y90-F162 HydrophobicContact CE1-CE1 4.3Å; Y90-F162 AromaticContact CE1-CE2 3.61Å; Y90-F162 HydrophobicContact CE1-CE2 3.61Å; Y90-F162 HydrophobicContact CE1-CG 4.29Å; Y90-F162 AromaticContact CE1-CZ 3.82Å; Y90-F162 HydrophobicContact CE1-CZ 3.82Å; Y90-F162 WeakPolarHBondContact CE1-O 3.2Å; Y90-F162 PolarHBondContact OH-O 3.33Å; H152-F162 HydrophobicContact CB-CD2 4.01Å; H152-F162 HydrophobicContact CB-CE2 4.01Å; L155-F162 HydrophobicContact CB-CB 4.18Å; L155-F162 HydrophobicContact CB-CD2 4.22Å; D156-F162 WeakPolarHBondContact O-CB 3.47Å; P157-F162 HydrophobicContact CB-CD1 4.21Å; P157-F162 HydrophobicContact CB-CD2 4.42Å; P157-F162 HydrophobicContact CB-CE1 4.25Å; P157-F162 HydrophobicContact CB-CE2 4.46Å; P157-F162 HydrophobicContact CB-CG 4.33Å; P157-F162 HydrophobicContact CB-CZ 4.4Å; P157-F162 HydrophobicContact CG-CD2 4.2Å; P157-F162 HydrophobicContact CG-CE2 4.09Å; P157-F162 HydrophobicContact CG-CZ 4.38Å; E159-F162 PolarHBondContact O-N 2.85Å; S160-F162 VanDerWaalsContact C-N 3.29Å; S160-F162 PolarHBondContact O-N 3.49Å; F162-F165 VanDerWaalsContact O-CD1 3.24Å; F162-F165 WeakPolarHBondContact O-CD1 3.44Å; F162-F165 VanDerWaalsContact O-CE1 3.25Å; F162-F165 WeakPolarHBondContact O-CE1 3.37Å
163	W	95.5	Very high	96.5	Very high	13 Å²	13	48.5 Å²	48.5	5%	0.049	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-100.7	6.6	-176.6	-61.6	95.5	0	0	0	113.9	G145 P157 E159 S160 K161 F165 R254 E255 A307	G145-W163 VanDerWaalsContact O-CH2 3.31Å; G145-W163 WeakPolarHBondContact O-CH2 3.23Å; G145-W163 WeakPolarHBondContact O-CZ3 3.34Å; P157-W163 PolarHBondContact O-NE1 3.05Å; E159-W163 VanDerWaalsContact O-CD1 3.31Å; S160-W163 PolarHBondContact O-N 3.19Å; K161-W163 PolarHBondContact O-N 2.94Å; W163-F165 HydrophobicContact CE3-CE1 4.15Å; W163-F165 HydrophobicContact CE3-CZ 4.25Å; W163-F165 HydrophobicContact CZ3-CZ 4.5Å; W163-F165 PolarHBondContact O-N 3.01Å; W163-R254 HydrophobicContact CB-CB 3.87Å; W163-R254 HydrophobicContact CG-CB 3.79Å; W163-E255 HydrophobicContact CD2-CB 4.07Å; W163-E255 HydrophobicContact CE3-CB 4.15Å; W163-E255 HydrophobicContact CH2-CB 3.79Å; W163-E255 HydrophobicContact CH2-CG 3.5Å; W163-E255 VanDerWaalsContact CH2-CG 3.5Å; W163-E255 WeakPolarHBondContact CH2-OE1 3.43Å; W163-E255 HydrophobicContact CZ2-CB 3.71Å; W163-E255 VanDerWaalsContact CZ2-CD 3.47Å; W163-E255 HydrophobicContact CZ2-CG 3.83Å; W163-E255 HydrophobicContact CZ3-CB 4.01Å; W163-E255 HydrophobicContact CZ3-CG 3.88Å; W163-A307 HydrophobicContact CE3-CB 3.93Å
164	D	94.9	Very high	96.5	Very high	98 Å²	98	44.6 Å²	44.6	52%	0.524	23%	0.23	S	C	.	.			trans	-82	44.6	-177.5	-167.2	20.8	0	0	0	113.6	K161 K309	K161-D164 PolarHBondContact O-N 3.16Å; D164-K309 PolarHBondContact O-NZ 2.82Å; D164-K309 WeakPolarHBondContact OD1-CD 3.49Å; D164-K309 IonicContact OD1-NZ 2.7Å; D164-K309 PolarHBondContact OD1-NZ 3.06Å
165	F	97.2	Very high	96.5	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	20%	0.197	C	C	.	.			trans	-128.6	160.4	178.7	68.2	-95.4	0	0	0	112.2	Y90 R144 F162 W163 E169 A307 K309 Q310	Y90-F165 HydrophobicContact CE1-CD1 4.1Å; Y90-F165 HydrophobicContact CE1-CE1 4.18Å; R144-F165 HydrophobicContact CB-CZ 4.44Å; R144-F165 VanDerWaalsContact CD-CD2 3.44Å; R144-F165 HydrophobicContact CG-CD1 4.21Å; R144-F165 HydrophobicContact CG-CD2 3.59Å; R144-F165 HydrophobicContact CG-CE1 4.12Å; R144-F165 HydrophobicContact CG-CE2 3.49Å; R144-F165 VanDerWaalsContact CG-CE2 3.49Å; R144-F165 HydrophobicContact CG-CG 3.95Å; R144-F165 HydrophobicContact CG-CZ 3.79Å; R144-F165 WeakPolarHBondContact O-CE2 3.43Å; R144-F165 WeakPolarHBondContact O-CZ 3.48Å; F162-F165 VanDerWaalsContact O-CD1 3.24Å; F162-F165 WeakPolarHBondContact O-CD1 3.44Å; F162-F165 VanDerWaalsContact O-CE1 3.25Å; F162-F165 WeakPolarHBondContact O-CE1 3.37Å; W163-F165 HydrophobicContact CE3-CE1 4.15Å; W163-F165 HydrophobicContact CE3-CZ 4.25Å; W163-F165 HydrophobicContact CZ3-CZ 4.5Å; W163-F165 PolarHBondContact O-N 3.01Å; F165-E169 HydrophobicContact CB-CB 4.06Å; F165-E169 HydrophobicContact CB-CG 4.18Å; F165-A307 HydrophobicContact CD1-CB 4.37Å; F165-A307 HydrophobicContact CD2-CB 4.15Å; F165-A307 HydrophobicContact CE1-CB 3.94Å; F165-A307 HydrophobicContact CE2-CB 3.7Å; F165-A307 HydrophobicContact CG-CB 4.46Å; F165-A307 HydrophobicContact CZ-CB 3.57Å; F165-K309 WeakPolarHBondContact O-CB 3.48Å; F165-Q310 HydrophobicContact CE2-CG 4.39Å; F165-Q310 VanDerWaalsContact CE2-NE2 3.26Å
166	S	97.1	Very high	96.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.19	C	C	.	.			trans	-130.3	-170.3	171.7	-162.9	0	0	0	0	109.8	H168 E169 I170 K309 H313	S166-H168 PolarHBondContact O-N 2.87Å; S166-E169 WeakPolarHBondContact CA-OE2 3.35Å; S166-E169 PolarHBondContact N-OE2 3.47Å; S166-E169 PolarHBondContact O-N 3.21Å; S166-I170 PolarHBondContact O-N 2.99Å; S166-K309 PolarHBondContact OG-O 3.49Å; S166-H313 WeakPolarHBondContact OG-CB 3.48Å; S166-H313 PolarHBondContact OG-ND1 3.48Å
167	W	98.1	Very high	96.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-68.1	-11.2	172.5	49.8	-106	0	0	0	113.5	I170 G171 Q198 T201 V205 H313 F314 I317 F323 A324 Y345	W167-I170 HydrophobicContact CB-CD1 4.44Å; W167-G171 PolarHBondContact O-N 3.1Å; W167-G171 VanDerWaalsContact O-N 3.09Å; W167-Q198 HydrophobicContact CB-CG 3.89Å; W167-T201 HydrophobicContact CD2-CG2 3.69Å; W167-T201 HydrophobicContact CE3-CG2 3.68Å; W167-T201 HydrophobicContact CG-CG2 4.08Å; W167-T201 HydrophobicContact CZ3-CG2 4.1Å; W167-V205 HydrophobicContact CE3-CG2 3.6Å; W167-V205 HydrophobicContact CZ3-CG2 3.41Å; W167-V205 VanDerWaalsContact CZ3-CG2 3.41Å; W167-H313 AromaticContact CD2-ND1 3.76Å; W167-H313 AromaticContact CE2-CE1 3.46Å; W167-H313 VanDerWaalsContact CE2-CE1 3.46Å; W167-H313 AromaticContact CE2-CG 3.54Å; W167-H313 AromaticContact CE2-ND1 3.15Å; W167-H313 AromaticContact CH2-CE1 3.28Å; W167-H313 WeakPolarHBondContact CH2-CE1 3.34Å; W167-H313 AromaticContact CH2-ND1 3.89Å; W167-H313 AromaticContact CH2-NE2 3.51Å; W167-H313 HydrophobicContact CZ2-CB 4.38Å; W167-H313 AromaticContact CZ2-CD2 3.47Å; W167-H313 VanDerWaalsContact CZ2-CD2 3.47Å; W167-H313 WeakPolarHBondContact CZ2-CD2 3.47Å; W167-H313 AromaticContact CZ2-CE1 3.04Å; W167-H313 WeakPolarHBondContact CZ2-CE1 3.43Å; W167-H313 AromaticContact CZ2-CG 3.45Å; W167-H313 VanDerWaalsContact CZ2-CG 3.45Å; W167-H313 AromaticContact CZ2-ND1 3.2Å; W167-H313 WeakPolarHBondContact CZ2-ND1 3.45Å; W167-H313 AromaticContact CZ2-NE2 3.22Å; W167-H313 WeakPolarHBondContact CZ2-NE2 3.3Å; W167-H313 AromaticContact CZ3-CE1 3.85Å; W167-H313 AromaticContact NE1-CG 3.53Å; W167-H313 AromaticContact NE1-ND1 3.44Å; W167-H313 PolarHBondContact NE1-ND1 3.31Å; W167-F314 AromaticContact CD1-CE2 3.64Å; W167-F314 AromaticContact CD1-CZ 3.84Å; W167-F314 AromaticContact NE1-CE2 3.97Å; W167-I317 HydrophobicContact CH2-CD1 3.87Å; W167-I317 HydrophobicContact CZ2-CD1 3.3Å; W167-I317 HydrophobicContact CZ2-CG1 4.17Å; W167-F323 HydrophobicContact CE3-CE2 4.31Å; W167-F323 AromaticContact CH2-CD2 3.93Å; W167-F323 HydrophobicContact CH2-CD2 3.93Å; W167-F323 AromaticContact CH2-CE2 3.51Å; W167-F323 HydrophobicContact CH2-CE2 3.51Å; W167-F323 HydrophobicContact CH2-CZ 4.36Å; W167-F323 HydrophobicContact CZ2-CE2 4.28Å; W167-F323 HydrophobicContact CZ3-CD2 4.35Å; W167-F323 AromaticContact CZ3-CE2 3.51Å; W167-F323 HydrophobicContact CZ3-CE2 3.51Å; W167-F323 AromaticContact CZ3-CZ 3.96Å; W167-F323 HydrophobicContact CZ3-CZ 3.96Å; W167-A324 VanDerWaalsContact CH2-O 3.28Å; W167-A324 WeakPolarHBondContact CH2-O 3.35Å; W167-Y345 AromaticContact CH2-CE2 3.71Å; W167-Y345 HydrophobicContact CH2-CE2 3.71Å; W167-Y345 HydrophobicContact CZ3-CD2 4.49Å; W167-Y345 AromaticContact CZ3-CE2 3.47Å; W167-Y345 HydrophobicContact CZ3-CE2 3.47Å; W167-Y345 VanDerWaalsContact CZ3-CE2 3.47Å; W167-Y345 AromaticContact CZ3-CZ 3.86Å; W167-Y345 WeakPolarHBondContact CZ3-OH 3.34Å
168	H	98.6	Very high	97	Very high	32 Å²	32	34.2 Å²	34.2	15%	0.148	17%	0.171	C	C	.	.	H	α-helix	trans	-61.8	-52.2	169	-179.3	72.4	0	0	0	110.6	S166 I170 G171 M172 Y345	S166-H168 PolarHBondContact O-N 2.87Å; H168-I170 VanDerWaalsContact C-N 3.31Å; H168-I170 PolarHBondContact O-N 2.79Å; H168-G171 PolarHBondContact O-N 3.41Å; H168-M172 WeakPolarHBondContact O-CB 3.48Å; H168-M172 WeakPolarHBondContact O-CG 3.39Å; H168-M172 PolarHBondContact O-N 3.07Å; H168-Y345 AromaticContact ND1-CE1 3.71Å; H168-Y345 AromaticContact ND1-CZ 3.63Å; H168-Y345 PolarHBondContact ND1-OH 3.04Å
169	E	98.7	Very high	97.3	Very high	32 Å²	32	28.8 Å²	28.8	15%	0.15	14%	0.143	C	C	.	.	H	α-helix	trans	-66.5	-32.8	179.7	-68.8	70.7	-148.9	0	0	112	F165 S166 G171 M172 Y173	F165-E169 HydrophobicContact CB-CB 4.06Å; F165-E169 HydrophobicContact CB-CG 4.18Å; S166-E169 WeakPolarHBondContact CA-OE2 3.35Å; S166-E169 PolarHBondContact N-OE2 3.47Å; S166-E169 PolarHBondContact O-N 3.21Å; E169-G171 PolarHBondContact O-N 3.22Å; E169-M172 PolarHBondContact O-N 2.9Å; E169-Y173 HydrophobicContact CB-CD2 3.92Å; E169-Y173 HydrophobicContact CB-CE2 4.23Å; E169-Y173 HydrophobicContact CG-CD2 4.23Å; E169-Y173 HydrophobicContact CG-CE2 4.03Å; E169-Y173 WeakPolarHBondContact O-CB 3.31Å; E169-Y173 WeakPolarHBondContact O-CD2 3.36Å; E169-Y173 PolarHBondContact O-N 3.09Å
170	I	98.8	Very high	97.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.133	C	C	.	.	I	π-helix	trans	-60.5	-45.8	172.2	-58.2	173.6	0	0	0	110.3	A143 R144 S166 W167 H168 D174 L175 S202	A143-I170 HydrophobicContact CB-CD1 3.69Å; A143-I170 HydrophobicContact CB-CG1 4.16Å; A143-I170 HydrophobicContact CB-CG2 4.12Å; R144-I170 HydrophobicContact CG-CG1 4.2Å; S166-I170 PolarHBondContact O-N 2.99Å; W167-I170 HydrophobicContact CB-CD1 4.44Å; H168-I170 VanDerWaalsContact C-N 3.31Å; H168-I170 PolarHBondContact O-N 2.79Å; I170-D174 HydrophobicContact CB-CB 4.47Å; I170-D174 HydrophobicContact CG2-CB 3.98Å; I170-D174 WeakPolarHBondContact O-CB 3.35Å; I170-D174 PolarHBondContact O-N 3.01Å; I170-L175 PolarHBondContact O-N 2.93Å; I170-S202 WeakPolarHBondContact CG2-OG 3.44Å
171	G	98.8	Very high	98	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.123	C	C	.	.	I	π-helix	trans	-68.8	-34	175	0	0	0	0	0	113.9	W167 H168 E169 P176 S202 M206	W167-G171 PolarHBondContact O-N 3.1Å; W167-G171 VanDerWaalsContact O-N 3.09Å; H168-G171 PolarHBondContact O-N 3.41Å; E169-G171 PolarHBondContact O-N 3.22Å; G171-P176 WeakPolarHBondContact O-CD 3.42Å; G171-S202 VanDerWaalsContact CA-O 3.23Å; G171-S202 WeakPolarHBondContact CA-O 3.47Å; G171-M206 WeakPolarHBondContact O-CA 3.22Å; G171-M206 WeakPolarHBondContact O-CB 3.35Å; G171-M206 WeakPolarHBondContact O-CG 3.36Å
172	M	98.7	Very high	98.2	Very high	32 Å²	32	18.8 Å²	18.8	16%	0.158	9%	0.093	C	C	.	.	I	π-helix	trans	-80.2	-30.2	-176.4	-76	-59.1	-61.5	0	0	114.4	H168 E169 P176 V205 M209 R210	H168-M172 WeakPolarHBondContact O-CB 3.48Å; H168-M172 WeakPolarHBondContact O-CG 3.39Å; H168-M172 PolarHBondContact O-N 3.07Å; E169-M172 PolarHBondContact O-N 2.9Å; M172-P176 WeakPolarHBondContact O-CG 3.4Å; M172-V205 HydrophobicContact CG-CG1 4.48Å; M172-M209 HydrophobicContact CE-CB 4.48Å; M172-M209 HydrophobicContact SD-CB 3.34Å; M172-M209 WeakPolarHBondContact SD-CB 3.49Å; M172-M209 HydrophobicContact SD-CE 4.47Å; M172-M209 HydrophobicContact SD-CG 3.94Å; M172-R210 HydrophobicContact CE-CG 4.09Å; M172-R210 PolarHBondContact O-NH1 2.98Å; M172-R210 HydrophobicContact SD-CG 4.21Å
173	Y	98.9	Very high	98.3	Very high	68 Å²	68	19.8 Å²	19.8	27%	0.267	10%	0.098	S	C	.	.	I	π-helix	trans	-131	-47.1	-168.6	-54.6	-61.9	0	0	0	112.9	E87 D88 R144 E169 A177	E87-Y173 HydrophobicContact CB-CD1 4.11Å; D88-Y173 WeakPolarHBondContact OD1-CB 3.46Å; R144-Y173 VanDerWaalsContact NH2-CB 3.29Å; E169-Y173 HydrophobicContact CB-CD2 3.92Å; E169-Y173 HydrophobicContact CB-CE2 4.23Å; E169-Y173 HydrophobicContact CG-CD2 4.23Å; E169-Y173 HydrophobicContact CG-CE2 4.03Å; E169-Y173 WeakPolarHBondContact O-CB 3.31Å; E169-Y173 WeakPolarHBondContact O-CD2 3.36Å; E169-Y173 PolarHBondContact O-N 3.09Å; Y173-A177 VanDerWaalsContact O-CB 3.3Å; Y173-A177 WeakPolarHBondContact O-CB 3.49Å; Y173-A177 PolarHBondContact O-N 2.88Å; Y173-A177 VanDerWaalsContact O-N 3.09Å
174	D	98.9	Very high	98.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.133	C	C	.	.	I	π-helix	trans	-66.4	-55.7	-175.7	-66.7	9.9	0	0	0	111.1	L92 R144 I170 A177 M178	L92-D174 HydrophobicContact CD1-CB 3.59Å; R144-D174 WeakPolarHBondContact CG-OD2 3.27Å; R144-D174 IonicContact CZ-OD1 3.73Å; R144-D174 PolarHBondContact N-OD2 2.63Å; R144-D174 IonicContact NE-OD1 2.68Å; R144-D174 PolarHBondContact NE-OD1 2.74Å; R144-D174 IonicContact NE-OD2 2.68Å; R144-D174 PolarHBondContact NE-OD2 2.79Å; R144-D174 IonicContact NH2-OD1 3.89Å; R144-D174 PolarHBondContact NH2-OD1 2.96Å; I170-D174 HydrophobicContact CB-CB 4.47Å; I170-D174 HydrophobicContact CG2-CB 3.98Å; I170-D174 WeakPolarHBondContact O-CB 3.35Å; I170-D174 PolarHBondContact O-N 3.01Å; D174-A177 PolarHBondContact O-N 2.84Å; D174-M178 HydrophobicContact CB-CE 4.25Å; D174-M178 VanDerWaalsContact O-CG 3.26Å; D174-M178 WeakPolarHBondContact O-CG 3.4Å; D174-M178 PolarHBondContact O-N 3.31Å
175	L	98.9	Very high	98.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.4	-44.3	-178.5	-62.3	-173.7	0	0	0	112.7	Q108 I170 A177 M178 I179 Y193 S202 F203 M206	Q108-L175 HydrophobicContact CG-CD2 4.08Å; I170-L175 PolarHBondContact O-N 2.93Å; L175-A177 PolarHBondContact O-N 3.36Å; L175-M178 HydrophobicContact CD2-SD 4.28Å; L175-M178 PolarHBondContact O-N 2.94Å; L175-I179 WeakPolarHBondContact O-CB 3.3Å; L175-I179 VanDerWaalsContact O-CG1 3.24Å; L175-I179 WeakPolarHBondContact O-CG1 3.35Å; L175-I179 PolarHBondContact O-N 3.41Å; L175-Y193 HydrophobicContact CD1-CE2 4.39Å; L175-Y193 WeakPolarHBondContact CD1-OH 3.41Å; L175-Y193 HydrophobicContact CD2-CE2 4.06Å; L175-Y193 WeakPolarHBondContact CD2-OH 3.28Å; L175-S202 VanDerWaalsContact CD1-C 3.43Å; L175-F203 HydrophobicContact CD1-CB 4.17Å; L175-M206 HydrophobicContact CB-SD 3.59Å; L175-M206 VanDerWaalsContact CB-SD 3.59Å; L175-M206 HydrophobicContact CD1-CB 4.48Å
176	P	98.9	Very high	98.7	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	13%	0.134	C	C	.	.	H	α-helix	trans	-51.7	-49.3	170.3	-37.2	44.3	0	0	0	114.3	G171 M172 I179 D180 M206 Y213	G171-P176 WeakPolarHBondContact O-CD 3.42Å; M172-P176 WeakPolarHBondContact O-CG 3.4Å; P176-I179 PolarHBondContact O-N 3.25Å; P176-D180 WeakPolarHBondContact O-CB 3.34Å; P176-D180 VanDerWaalsContact O-CG 3.26Å; P176-D180 PolarHBondContact O-N 3.04Å; P176-M206 HydrophobicContact CG-CG 3.93Å; P176-M206 HydrophobicContact CG-SD 4.01Å; P176-Y213 HydrophobicContact CB-CE1 3.9Å; P176-Y213 HydrophobicContact CB-CE2 3.94Å; P176-Y213 VanDerWaalsContact CB-CZ 3.47Å; P176-Y213 WeakPolarHBondContact CB-OH 3.42Å; P176-Y213 HydrophobicContact CG-CE1 4.41Å; P176-Y213 HydrophobicContact CG-CE2 4.11Å
177	A	98.9	Very high	98.7	Very high	17 Å²	17	30.4 Å²	30.4	14%	0.14	17%	0.166	C	C	.	.	H	α-helix	trans	-65.4	-43.8	-179.2	0	0	0	0	0	111.9	V84 T86 Y173 D174 L175 H181	V84-A177 HydrophobicContact CG1-CB 3.79Å; T86-A177 HydrophobicContact CG2-CB 4.01Å; Y173-A177 VanDerWaalsContact O-CB 3.3Å; Y173-A177 WeakPolarHBondContact O-CB 3.49Å; Y173-A177 PolarHBondContact O-N 2.88Å; Y173-A177 VanDerWaalsContact O-N 3.09Å; D174-A177 PolarHBondContact O-N 2.84Å; L175-A177 PolarHBondContact O-N 3.36Å; A177-H181 VanDerWaalsContact O-CB 3.32Å; A177-H181 WeakPolarHBondContact O-CB 3.32Å; A177-H181 PolarHBondContact O-N 2.96Å
178	M	98.9	Very high	98.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.7	-49.6	175.9	-69.1	-177	-167.2	0	0	111.7	L92 M94 L106 N142 D174 L175 D180 H181 V182	L92-M178 HydrophobicContact CD1-CE 3.64Å; L92-M178 HydrophobicContact CD1-CG 4.32Å; M94-M178 HydrophobicContact CE-CB 3.74Å; M94-M178 HydrophobicContact CE-CG 3.85Å; M94-M178 HydrophobicContact CE-SD 4.1Å; M94-M178 HydrophobicContact CG-CG 4.26Å; M94-M178 HydrophobicContact SD-CB 3.8Å; M94-M178 HydrophobicContact SD-CG 3.62Å; M94-M178 HydrophobicContact SD-SD 4.46Å; L106-M178 HydrophobicContact CD2-CB 4.17Å; N142-M178 WeakPolarHBondContact O-CE 3.14Å; D174-M178 HydrophobicContact CB-CE 4.25Å; D174-M178 VanDerWaalsContact O-CG 3.26Å; D174-M178 WeakPolarHBondContact O-CG 3.4Å; D174-M178 PolarHBondContact O-N 3.31Å; L175-M178 HydrophobicContact CD2-SD 4.28Å; L175-M178 PolarHBondContact O-N 2.94Å; M178-D180 PolarHBondContact O-N 2.72Å; M178-H181 PolarHBondContact O-N 3.38Å; M178-V182 WeakPolarHBondContact O-CG2 3.43Å; M178-V182 PolarHBondContact O-N 3.47Å
179	I	99	Very high	98.8	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.6	-48.5	-179.1	-70.6	169.7	0	0	0	110	L106 L175 P176 H181 V182 L183 L191 M206 Y213 K216 V217	L106-I179 HydrophobicContact CD2-CG1 3.97Å; L175-I179 WeakPolarHBondContact O-CB 3.3Å; L175-I179 VanDerWaalsContact O-CG1 3.24Å; L175-I179 WeakPolarHBondContact O-CG1 3.35Å; L175-I179 PolarHBondContact O-N 3.41Å; P176-I179 PolarHBondContact O-N 3.25Å; I179-H181 VanDerWaalsContact C-N 3.31Å; I179-H181 PolarHBondContact O-N 3.37Å; I179-V182 PolarHBondContact O-N 3.22Å; I179-L183 HydrophobicContact CG2-CD1 3.9Å; I179-L183 HydrophobicContact CG2-CG 4.24Å; I179-L183 VanDerWaalsContact O-CG 3.28Å; I179-L183 WeakPolarHBondContact O-CG 3.46Å; I179-L183 PolarHBondContact O-N 2.94Å; I179-L191 HydrophobicContact CB-CD2 4.27Å; I179-L191 HydrophobicContact CG1-CD1 4.5Å; I179-L191 HydrophobicContact CG1-CD2 4.12Å; I179-L191 HydrophobicContact CG2-CD2 4.04Å; I179-M206 HydrophobicContact CD1-CE 3.55Å; I179-M206 HydrophobicContact CD1-SD 3.58Å; I179-M206 VanDerWaalsContact CD1-SD 3.58Å; I179-Y213 HydrophobicContact CB-CD1 4.4Å; I179-Y213 HydrophobicContact CB-CE1 4.32Å; I179-Y213 HydrophobicContact CD1-CD1 4.11Å; I179-Y213 HydrophobicContact CG2-CD1 4.16Å; I179-Y213 HydrophobicContact CG2-CE1 4.24Å; I179-K216 HydrophobicContact CG2-CB 4.01Å; I179-K216 HydrophobicContact CG2-CD 4.18Å; I179-V217 HydrophobicContact CD1-CG2 4.33Å
180	D	98.9	Very high	98.8	Very high	58 Å²	58	39.3 Å²	39.3	31%	0.31	22%	0.215	S	C	.	.	H	α-helix	trans	-64.5	-37.4	-178.2	-70.5	-17.1	0	0	0	112.3	P176 M178 K184 Y213 K216	P176-D180 WeakPolarHBondContact O-CB 3.34Å; P176-D180 VanDerWaalsContact O-CG 3.26Å; P176-D180 PolarHBondContact O-N 3.04Å; M178-D180 PolarHBondContact O-N 2.72Å; D180-K184 WeakPolarHBondContact O-CB 3.36Å; D180-K184 PolarHBondContact O-N 3.19Å; D180-Y213 PolarHBondContact OD2-OH 2.91Å; D180-K216 IonicContact OD1-NZ 2.88Å; D180-K216 PolarHBondContact OD1-NZ 3.2Å; D180-K216 IonicContact OD2-NZ 3.36Å; D180-K216 PolarHBondContact OD2-NZ 3.36Å
181	H	98.9	Very high	98.8	Very high	42 Å²	42	39.4 Å²	39.4	19%	0.194	22%	0.215	C	C	.	.	H	α-helix	trans	-62.5	-48.6	173	-175.2	76.3	0	0	0	111.9	H82 V84 W139 A177 M178 I179 L183 K184 V185	H82-H181 AromaticContact CG-NE2 3.59Å; H82-H181 AromaticContact ND1-CE1 3.81Å; H82-H181 AromaticContact ND1-NE2 3.01Å; H82-H181 PolarHBondContact ND1-NE2 2.9Å; V84-H181 HydrophobicContact CG1-CB 4.08Å; V84-H181 HydrophobicContact CG2-CB 3.85Å; W139-H181 AromaticContact CZ3-CD2 3.78Å; A177-H181 VanDerWaalsContact O-CB 3.32Å; A177-H181 WeakPolarHBondContact O-CB 3.32Å; A177-H181 PolarHBondContact O-N 2.96Å; M178-H181 PolarHBondContact O-N 3.38Å; I179-H181 VanDerWaalsContact C-N 3.31Å; I179-H181 PolarHBondContact O-N 3.37Å; H181-L183 PolarHBondContact O-N 2.75Å; H181-K184 PolarHBondContact O-N 3.31Å; H181-V185 WeakPolarHBondContact O-CG2 3.44Å; H181-V185 PolarHBondContact O-N 2.82Å
182	V	98.9	Very high	98.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.9	-49	178.7	172.5	0	0	0	0	111.1	M94 P104 W139 M178 I179 K184 V185 T186 L191	M94-V182 HydrophobicContact CE-CG2 3.97Å; P104-V182 HydrophobicContact CB-CG1 3.46Å; P104-V182 VanDerWaalsContact CB-CG1 3.46Å; P104-V182 HydrophobicContact CG-CG1 4.18Å; W139-V182 HydrophobicContact CB-CG2 4.07Å; W139-V182 HydrophobicContact CD2-CB 4.44Å; W139-V182 HydrophobicContact CD2-CG1 4.33Å; W139-V182 HydrophobicContact CD2-CG2 3.55Å; W139-V182 HydrophobicContact CE3-CG2 3.77Å; W139-V182 HydrophobicContact CG-CG1 4.17Å; W139-V182 HydrophobicContact CG-CG2 3.69Å; W139-V182 HydrophobicContact CZ3-CG2 4.35Å; M178-V182 WeakPolarHBondContact O-CG2 3.43Å; M178-V182 PolarHBondContact O-N 3.47Å; I179-V182 PolarHBondContact O-N 3.22Å; V182-K184 VanDerWaalsContact C-N 3.32Å; V182-K184 PolarHBondContact O-N 3.16Å; V182-V185 PolarHBondContact O-N 3.44Å; V182-T186 HydrophobicContact CG1-CG2 4.32Å; V182-T186 WeakPolarHBondContact O-CB 3.38Å; V182-T186 VanDerWaalsContact O-CG2 3.28Å; V182-T186 WeakPolarHBondContact O-CG2 3.41Å; V182-T186 PolarHBondContact O-N 2.93Å; V182-T186 PolarHBondContact O-OG1 3.39Å; V182-L191 HydrophobicContact CB-CD2 3.83Å; V182-L191 HydrophobicContact CG1-CD2 3.64Å; V182-L191 HydrophobicContact CG2-CD2 4.46Å
183	L	98.9	Very high	98.8	Very high	21 Å²	21	39.2 Å²	39.2	11%	0.11	21%	0.214	C	C	.	.	H	α-helix	trans	-63.8	-39.3	-179.8	-62.4	-177.9	0	0	0	111.4	I179 H181 G187 F188 K190 L191 K216	I179-L183 HydrophobicContact CG2-CD1 3.9Å; I179-L183 HydrophobicContact CG2-CG 4.24Å; I179-L183 VanDerWaalsContact O-CG 3.28Å; I179-L183 WeakPolarHBondContact O-CG 3.46Å; I179-L183 PolarHBondContact O-N 2.94Å; H181-L183 PolarHBondContact O-N 2.75Å; L183-G187 WeakPolarHBondContact O-CA 3.42Å; L183-G187 PolarHBondContact O-N 3.44Å; L183-F188 WeakPolarHBondContact CD2-O 3.39Å; L183-K190 VanDerWaalsContact CD2-C 3.43Å; L183-L191 HydrophobicContact CD2-CB 4.11Å; L183-L191 HydrophobicContact CD2-CD2 4.13Å; L183-L191 HydrophobicContact CD2-CG 4.22Å; L183-L191 HydrophobicContact CG-CD2 4.42Å; L183-K216 HydrophobicContact CD1-CB 3.97Å; L183-K216 HydrophobicContact CD1-CD 4.13Å; L183-K216 HydrophobicContact CD1-CG 4.09Å
184	K	98.7	Very high	98.8	Very high	179 Å²	179	36 Å²	36	78%	0.778	20%	0.201	S	C	*	.	H	α-helix	trans	-63.9	-47.3	176	-179.5	-178.3	176.5	-174.8	0	112.5	D180 H181 V182	D180-K184 WeakPolarHBondContact O-CB 3.36Å; D180-K184 PolarHBondContact O-N 3.19Å; H181-K184 PolarHBondContact O-N 3.31Å; V182-K184 VanDerWaalsContact C-N 3.32Å; V182-K184 PolarHBondContact O-N 3.16Å
185	V	98.5	Very high	98.8	Very high	64 Å²	64	36 Å²	36	39%	0.388	20%	0.201	S	C	.	.	H	α-helix	trans	-69.7	-39.9	-177.2	170.6	0	0	0	0	111.6	W139 H181 V182	W139-V185 HydrophobicContact CH2-CB 4.05Å; W139-V185 HydrophobicContact CH2-CG1 3.88Å; W139-V185 HydrophobicContact CH2-CG2 4.29Å; W139-V185 HydrophobicContact CZ2-CB 4.12Å; W139-V185 HydrophobicContact CZ2-CG1 3.85Å; H181-V185 WeakPolarHBondContact O-CG2 3.44Å; H181-V185 PolarHBondContact O-N 2.82Å; V182-V185 PolarHBondContact O-N 3.44Å
186	T	98.4	Very high	98.8	Very high	27 Å²	27	36.1 Å²	36.1	17%	0.166	20%	0.202	C	C	.	.	H	α-helix	trans	-86.5	-21.2	-175	62.9	0	0	0	0	113.3	P104 D137 W139 V182 F188	P104-T186 HydrophobicContact CB-CG2 4.21Å; D137-T186 WeakPolarHBondContact OD2-CG2 3.44Å; W139-T186 HydrophobicContact CZ2-CG2 4.03Å; V182-T186 HydrophobicContact CG1-CG2 4.32Å; V182-T186 WeakPolarHBondContact O-CB 3.38Å; V182-T186 VanDerWaalsContact O-CG2 3.28Å; V182-T186 WeakPolarHBondContact O-CG2 3.41Å; V182-T186 PolarHBondContact O-N 2.93Å; V182-T186 PolarHBondContact O-OG1 3.39Å; T186-F188 PolarHBondContact O-N 2.87Å; T186-F188 PolarHBondContact OG1-N 2.96Å
187	G	98.4	Very high	98.7	Very high	65 Å²	65	36.6 Å²	36.6	67%	0.67	21%	0.205	S	C	*	.			trans	73.9	4.7	-175.1	0	0	0	0	0	114	L183	L183-G187 WeakPolarHBondContact O-CA 3.42Å; L183-G187 PolarHBondContact O-N 3.44Å
188	F	98.7	Very high	98.7	Very high	63 Å²	63	35.9 Å²	35.9	28%	0.276	20%	0.199	S	C	.	.			trans	-78.6	146.4	174.8	-79.3	-101.4	0	0	0	110.7	A102 P103 P104 L183 T186 K190	A102-F188 VanDerWaalsContact O-CE2 3.28Å; A102-F188 WeakPolarHBondContact O-CE2 3.46Å; A102-F188 WeakPolarHBondContact O-CZ 3.39Å; P103-F188 HydrophobicContact CB-CE1 4.25Å; P103-F188 HydrophobicContact CG-CE1 4.32Å; P104-F188 VanDerWaalsContact CD-CG 3.42Å; P104-F188 HydrophobicContact CG-CB 3.84Å; P104-F188 HydrophobicContact CG-CD2 4.36Å; P104-F188 HydrophobicContact CG-CG 4.1Å; L183-F188 WeakPolarHBondContact CD2-O 3.39Å; T186-F188 PolarHBondContact O-N 2.87Å; T186-F188 PolarHBondContact OG1-N 2.96Å; F188-K190 VanDerWaalsContact C-N 3.34Å
189	P	98.4	Very high	98.7	Very high	107 Å²	107	35.9 Å²	35.9	70%	0.695	20%	0.199	S	C	*	.	S	Bend	trans	-76.9	-22	178.1	30.7	-35.6	0	0	0	113.2
190	K	98.8	Very high	98.7	Very high	82 Å²	82	35.9 Å²	35.9	36%	0.357	20%	0.199	S	C	.	.			trans	-147.3	160	-177.8	-54.1	-168.9	-172.9	-142.8	0	110.8	L183 F188 D215 K216 V218	L183-K190 VanDerWaalsContact CD2-C 3.43Å; F188-K190 VanDerWaalsContact C-N 3.34Å; K190-D215 WeakPolarHBondContact CD-O 3.43Å; K190-D215 WeakPolarHBondContact CE-O 3.22Å; K190-D215 WeakPolarHBondContact CG-O 3.35Å; K190-D215 PolarHBondContact NZ-O 3.11Å; K190-K216 WeakPolarHBondContact CA-O 3.4Å; K190-K216 WeakPolarHBondContact CB-O 3.29Å; K190-V218 HydrophobicContact CB-CG2 3.51Å; K190-V218 HydrophobicContact CD-CG2 4.33Å
191	L	98.8	Very high	98.7	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	161.1	175.3	59.3	79.6	0	0	0	112.5	P104 L106 I179 V182 L183 K216 V217 V218	P104-L191 HydrophobicContact CB-CB 3.91Å; P104-L191 HydrophobicContact CG-CB 3.71Å; L106-L191 HydrophobicContact CB-CD1 4.02Å; L106-L191 HydrophobicContact CB-CD2 4.41Å; I179-L191 HydrophobicContact CB-CD2 4.27Å; I179-L191 HydrophobicContact CG1-CD1 4.5Å; I179-L191 HydrophobicContact CG1-CD2 4.12Å; I179-L191 HydrophobicContact CG2-CD2 4.04Å; V182-L191 HydrophobicContact CB-CD2 3.83Å; V182-L191 HydrophobicContact CG1-CD2 3.64Å; V182-L191 HydrophobicContact CG2-CD2 4.46Å; L183-L191 HydrophobicContact CD2-CB 4.11Å; L183-L191 HydrophobicContact CD2-CD2 4.13Å; L183-L191 HydrophobicContact CD2-CG 4.22Å; L183-L191 HydrophobicContact CG-CD2 4.42Å; L191-K216 PolarHBondContact N-O 3.14Å; L191-V217 HydrophobicContact CD1-CG2 4.41Å; L191-V217 CarbonylContact O-C 3.56Å; L191-V217 VanDerWaalsContact O-CA 3.32Å; L191-V217 WeakPolarHBondContact O-CA 3.38Å; L191-V218 PolarHBondContact O-N 3.12Å
192	H	98.9	Very high	98.7	Very high	28 Å²	28	31.2 Å²	31.2	13%	0.13	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	148.2	164.3	-65.6	-88.9	0	0	0	109.9	P104 F105 L106 Y136 V218 S219	P104-H192 PolarHBondContact O-N 2.96Å; F105-H192 CarbonylContact C-O 3.42Å; F105-H192 WeakPolarHBondContact CA-O 3.38Å; F105-H192 HydrophobicContact CB-CB 4.4Å; F105-H192 HydrophobicContact CD1-CB 4.18Å; F105-H192 HydrophobicContact CD2-CB 3.39Å; F105-H192 HydrophobicContact CE1-CB 4.24Å; F105-H192 HydrophobicContact CE2-CB 3.47Å; F105-H192 VanDerWaalsContact CE2-CB 3.47Å; F105-H192 HydrophobicContact CG-CB 3.75Å; F105-H192 HydrophobicContact CZ-CB 3.9Å; L106-H192 PolarHBondContact N-O 3.35Å; Y136-H192 AromaticContact CE1-CD2 3.53Å; Y136-H192 AromaticContact CE1-NE2 3.78Å; H192-V218 VanDerWaalsContact CE1-CG1 3.44Å; H192-V218 WeakPolarHBondContact CE1-CG1 3.37Å; H192-S219 PolarHBondContact ND1-OG 3.43Å
193	Y	98.9	Very high	98.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	140.5	177.7	-170.8	-79.2	0	0	0	110.6	L106 Q108 L175 G199 F203 S219 M220 Q221	L106-Y193 HydrophobicContact CB-CD2 4.1Å; L106-Y193 HydrophobicContact CD2-CD2 3.86Å; L106-Y193 HydrophobicContact CD2-CE2 3.85Å; L106-Y193 HydrophobicContact CG-CD2 3.98Å; L106-Y193 HydrophobicContact CG-CE2 4.06Å; L106-Y193 CarbonylContact O-C 3.55Å; L106-Y193 WeakPolarHBondContact O-CA 3.41Å; Q108-Y193 HydrophobicContact CB-CE1 4.31Å; Q108-Y193 HydrophobicContact CB-CE2 4.18Å; Q108-Y193 WeakPolarHBondContact CB-OH 3.09Å; Q108-Y193 WeakPolarHBondContact CG-OH 3.36Å; L175-Y193 HydrophobicContact CD1-CE2 4.39Å; L175-Y193 WeakPolarHBondContact CD1-OH 3.41Å; L175-Y193 HydrophobicContact CD2-CE2 4.06Å; L175-Y193 WeakPolarHBondContact CD2-OH 3.28Å; Y193-G199 PolarHBondContact OH-O 3.21Å; Y193-G199 VanDerWaalsContact OH-O 3.1Å; Y193-F203 HydrophobicContact CD1-CB 4.48Å; Y193-F203 AromaticContact CD1-CD2 3.5Å; Y193-F203 HydrophobicContact CD1-CD2 3.5Å; Y193-F203 VanDerWaalsContact CD1-CD2 3.5Å; Y193-F203 AromaticContact CD1-CE2 3.88Å; Y193-F203 HydrophobicContact CD1-CE2 3.88Å; Y193-F203 HydrophobicContact CD1-CG 4.07Å; Y193-F203 AromaticContact CD2-CD2 3.76Å; Y193-F203 HydrophobicContact CD2-CD2 3.76Å; Y193-F203 AromaticContact CD2-CE2 3.96Å; Y193-F203 HydrophobicContact CD2-CE2 3.96Å; Y193-F203 HydrophobicContact CE1-CB 3.78Å; Y193-F203 AromaticContact CE1-CD2 3.5Å; Y193-F203 HydrophobicContact CE1-CD2 3.5Å; Y193-F203 HydrophobicContact CE1-CE2 4.34Å; Y193-F203 AromaticContact CE1-CG 3.84Å; Y193-F203 HydrophobicContact CE1-CG 3.84Å; Y193-F203 AromaticContact CE2-CD2 3.79Å; Y193-F203 HydrophobicContact CE2-CD2 3.79Å; Y193-F203 HydrophobicContact CE2-CE2 4.44Å; Y193-F203 AromaticContact CG-CD2 3.6Å; Y193-F203 HydrophobicContact CG-CD2 3.6Å; Y193-F203 AromaticContact CG-CE2 3.63Å; Y193-F203 HydrophobicContact CG-CE2 3.63Å; Y193-F203 AromaticContact CZ-CD2 3.64Å; Y193-S219 PolarHBondContact N-O 3.38Å; Y193-M220 HydrophobicContact CD1-CE 4.06Å; Y193-M220 HydrophobicContact CD1-SD 3.39Å; Y193-M220 WeakPolarHBondContact CD1-SD 3.21Å; Y193-M220 HydrophobicContact CE1-CE 4Å; Y193-M220 HydrophobicContact CE1-SD 3.96Å; Y193-M220 HydrophobicContact CG-SD 4.41Å; Y193-M220 CarbonylContact O-C 3.55Å; Y193-M220 WeakPolarHBondContact O-CA 3.46Å; Y193-Q221 PolarHBondContact O-N 3.18Å
194	A	98.9	Very high	98.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	134.2	160.5	0	0	0	0	0	110.2	F105 L106 L107 Q108 Q221 M410	F105-A194 HydrophobicContact CE1-CB 3.7Å; F105-A194 HydrophobicContact CZ-CB 4.24Å; L106-A194 PolarHBondContact O-N 3.23Å; L107-A194 WeakPolarHBondContact CA-O 3.49Å; L107-A194 HydrophobicContact CD2-CB 3.66Å; Q108-A194 PolarHBondContact N-O 3.08Å; A194-Q221 VanDerWaalsContact CA-O 3.23Å; A194-Q221 WeakPolarHBondContact CA-O 3.23Å; A194-Q221 HydrophobicContact CB-CB 3.8Å; A194-Q221 WeakPolarHBondContact CB-O 3.49Å; A194-M410 HydrophobicContact CB-CE 4.18Å
195	G	98.8	Very high	98.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	141.1	174.9	0	0	0	0	0	109.8	Q108 C200 Q221 L223	Q108-G195 WeakPolarHBondContact O-CA 3.28Å; G195-C200 VanDerWaalsContact C-SG 3.58Å; G195-C200 PolarHBondContact O-SG 2.98Å; G195-Q221 PolarHBondContact N-O 3.29Å; G195-L223 WeakPolarHBondContact O-CB 3.27Å; G195-L223 PolarHBondContact O-N 3.1Å
196	H	98.7	Very high	98.7	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.019	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	131.6	163.3	173.8	-101.3	0	0	0	109.4	Q108 H109 G110 F118 Q198 G199 L223 H393 L397	Q108-H196 PolarHBondContact O-N 3.34Å; H109-H196 CarbonylContact C-O 3.51Å; G110-H196 VanDerWaalsContact CA-O 3.26Å; G110-H196 WeakPolarHBondContact CA-O 3.4Å; G110-H196 PolarHBondContact N-O 2.93Å; F118-H196 HydrophobicContact CE1-CB 4.49Å; F118-H196 HydrophobicContact CZ-CB 4.22Å; H196-Q198 PolarHBondContact O-N 2.79Å; H196-Q198 VanDerWaalsContact O-N 3.09Å; H196-G199 PolarHBondContact O-N 2.81Å; H196-L223 CarbonylContact C-O 3.59Å; H196-L223 VanDerWaalsContact CA-O 3.31Å; H196-L223 WeakPolarHBondContact CA-O 3.26Å; H196-L223 HydrophobicContact CB-CB 4.42Å; H196-H393 AromaticContact CE1-CD2 3.87Å; H196-H393 AromaticContact CE1-NE2 3.68Å; H196-H393 AromaticContact NE2-NE2 3.93Å; H196-H393 PolarHBondContact NE2-O 3.02Å; H196-L397 HydrophobicContact CB-CD2 4.38Å
197	S	98.3	Very high	98.8	Very high	10 Å²	10	17.3 Å²	17.3	7%	0.07	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	-116.3	171.8	-167.8	0	0	0	0	112.7	G199 C200 T201 L223 A224 H393	S197-G199 PolarHBondContact O-N 2.99Å; S197-G199 VanDerWaalsContact O-N 3.15Å; S197-C200 WeakPolarHBondContact O-CA 3.36Å; S197-C200 VanDerWaalsContact O-CB 3.26Å; S197-C200 WeakPolarHBondContact O-CB 3.49Å; S197-C200 PolarHBondContact O-N 3.19Å; S197-T201 PolarHBondContact O-N 3.41Å; S197-T201 PolarHBondContact O-OG1 2.75Å; S197-L223 PolarHBondContact N-O 3Å; S197-A224 WeakPolarHBondContact CA-O 3.34Å; S197-A224 PolarHBondContact N-O 3.31Å; S197-H393 VanDerWaalsContact CB-CE1 3.49Å; S197-H393 WeakPolarHBondContact CB-CE1 3.24Å; S197-H393 WeakPolarHBondContact CB-NE2 3.21Å; S197-H393 PolarHBondContact OG-CE1 2.72Å; S197-H393 VanDerWaalsContact OG-CE1 3.24Å; S197-H393 PolarHBondContact OG-NE2 3.49Å
198	Q	98.5	Very high	98.8	Very high	3 Å²	3	14.6 Å²	14.6	1%	0.014	8%	0.078	C	C	.	.	H	α-helix	trans	-55.5	-26.9	174.8	-172.9	174.4	-95.2	0	0	114.3	L111 W167 H196 C200 T201 S202 F314	L111-Q198 HydrophobicContact CB-CB 4.19Å; W167-Q198 HydrophobicContact CB-CG 3.89Å; H196-Q198 PolarHBondContact O-N 2.79Å; H196-Q198 VanDerWaalsContact O-N 3.09Å; Q198-C200 PolarHBondContact O-N 3.32Å; Q198-T201 WeakPolarHBondContact CA-OG1 3.38Å; Q198-T201 WeakPolarHBondContact O-CB 3.3Å; Q198-T201 PolarHBondContact O-N 2.9Å; Q198-S202 PolarHBondContact O-N 3Å; Q198-S202 PolarHBondContact O-OG 3.34Å; Q198-F314 HydrophobicContact CB-CE2 4.37Å; Q198-F314 HydrophobicContact CB-CZ 4.17Å; Q198-F314 HydrophobicContact CG-CE2 4.25Å; Q198-F314 HydrophobicContact CG-CZ 4.16Å
199	G	98.8	Very high	98.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-58.9	-38.7	171.7	0	0	0	0	0	111.7	H109 Y193 H196 S197 F203	H109-G199 WeakPolarHBondContact O-CA 3.42Å; H109-G199 PolarHBondContact O-N 2.87Å; Y193-G199 PolarHBondContact OH-O 3.21Å; Y193-G199 VanDerWaalsContact OH-O 3.1Å; H196-G199 PolarHBondContact O-N 2.81Å; S197-G199 PolarHBondContact O-N 2.99Å; S197-G199 VanDerWaalsContact O-N 3.15Å; G199-F203 WeakPolarHBondContact O-CB 3.5Å; G199-F203 PolarHBondContact O-N 3.32Å
200	C	98.9	Very high	98.8	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-67.4	-46.8	171.6	-60	0	0	0	0	111.6	G195 S197 Q198 S202 F203 F204 M220 P225	G195-C200 VanDerWaalsContact C-SG 3.58Å; G195-C200 PolarHBondContact O-SG 2.98Å; S197-C200 WeakPolarHBondContact O-CA 3.36Å; S197-C200 VanDerWaalsContact O-CB 3.26Å; S197-C200 WeakPolarHBondContact O-CB 3.49Å; S197-C200 PolarHBondContact O-N 3.19Å; Q198-C200 PolarHBondContact O-N 3.32Å; C200-S202 VanDerWaalsContact C-N 3.32Å; C200-S202 PolarHBondContact O-N 3.19Å; C200-F203 WeakPolarHBondContact O-CB 3.4Å; C200-F203 PolarHBondContact O-N 3.36Å; C200-F204 HydrophobicContact CB-CD2 4.4Å; C200-F204 HydrophobicContact CB-CE2 3.96Å; C200-F204 WeakPolarHBondContact O-CD2 3.37Å; C200-F204 WeakPolarHBondContact O-CG 3.04Å; C200-F204 PolarHBondContact O-N 3.2Å; C200-M220 HydrophobicContact CB-CE 4.07Å; C200-P225 HydrophobicContact CB-CB 3.7Å
201	T	98.8	Very high	98.7	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-52	-52.3	179.3	-44.8	0	0	0	0	111.1	W167 S197 Q198 F203 F204 V205 A226 F314 F323	W167-T201 HydrophobicContact CD2-CG2 3.69Å; W167-T201 HydrophobicContact CE3-CG2 3.68Å; W167-T201 HydrophobicContact CG-CG2 4.08Å; W167-T201 HydrophobicContact CZ3-CG2 4.1Å; S197-T201 PolarHBondContact O-N 3.41Å; S197-T201 PolarHBondContact O-OG1 2.75Å; Q198-T201 WeakPolarHBondContact CA-OG1 3.38Å; Q198-T201 WeakPolarHBondContact O-CB 3.3Å; Q198-T201 PolarHBondContact O-N 2.9Å; T201-F203 VanDerWaalsContact C-N 3.35Å; T201-F203 PolarHBondContact O-N 3.19Å; T201-F204 PolarHBondContact O-N 3.35Å; T201-V205 WeakPolarHBondContact O-CG2 3.35Å; T201-V205 PolarHBondContact O-N 2.82Å; T201-A226 PolarHBondContact OG1-O 2.75Å; T201-F314 HydrophobicContact CG2-CE1 4.21Å; T201-F314 HydrophobicContact CG2-CZ 4.22Å; T201-F323 HydrophobicContact CG2-CE2 3.45Å; T201-F323 VanDerWaalsContact CG2-CE2 3.45Å; T201-F323 HydrophobicContact CG2-CZ 3.84Å
202	S	98.8	Very high	98.7	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.007	9%	0.09	C	C	.	.	H	α-helix	trans	-66.8	-38	-177.3	-50	0	0	0	0	111.3	I170 G171 L175 Q198 C200 V205 M206	I170-S202 WeakPolarHBondContact CG2-OG 3.44Å; G171-S202 VanDerWaalsContact CA-O 3.23Å; G171-S202 WeakPolarHBondContact CA-O 3.47Å; L175-S202 VanDerWaalsContact CD1-C 3.43Å; Q198-S202 PolarHBondContact O-N 3Å; Q198-S202 PolarHBondContact O-OG 3.34Å; C200-S202 VanDerWaalsContact C-N 3.32Å; C200-S202 PolarHBondContact O-N 3.19Å; S202-V205 PolarHBondContact O-N 3.33Å; S202-M206 PolarHBondContact O-N 2.99Å
203	F	98.9	Very high	98.7	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.8	-43.7	175.9	-175.7	-91	0	0	0	112.3	L175 Y193 G199 C200 T201 M206 C207 V217 M220 V352	L175-F203 HydrophobicContact CD1-CB 4.17Å; Y193-F203 HydrophobicContact CD1-CB 4.48Å; Y193-F203 AromaticContact CD1-CD2 3.5Å; Y193-F203 HydrophobicContact CD1-CD2 3.5Å; Y193-F203 VanDerWaalsContact CD1-CD2 3.5Å; Y193-F203 AromaticContact CD1-CE2 3.88Å; Y193-F203 HydrophobicContact CD1-CE2 3.88Å; Y193-F203 HydrophobicContact CD1-CG 4.07Å; Y193-F203 AromaticContact CD2-CD2 3.76Å; Y193-F203 HydrophobicContact CD2-CD2 3.76Å; Y193-F203 AromaticContact CD2-CE2 3.96Å; Y193-F203 HydrophobicContact CD2-CE2 3.96Å; Y193-F203 HydrophobicContact CE1-CB 3.78Å; Y193-F203 AromaticContact CE1-CD2 3.5Å; Y193-F203 HydrophobicContact CE1-CD2 3.5Å; Y193-F203 HydrophobicContact CE1-CE2 4.34Å; Y193-F203 AromaticContact CE1-CG 3.84Å; Y193-F203 HydrophobicContact CE1-CG 3.84Å; Y193-F203 AromaticContact CE2-CD2 3.79Å; Y193-F203 HydrophobicContact CE2-CD2 3.79Å; Y193-F203 HydrophobicContact CE2-CE2 4.44Å; Y193-F203 AromaticContact CG-CD2 3.6Å; Y193-F203 HydrophobicContact CG-CD2 3.6Å; Y193-F203 AromaticContact CG-CE2 3.63Å; Y193-F203 HydrophobicContact CG-CE2 3.63Å; Y193-F203 AromaticContact CZ-CD2 3.64Å; G199-F203 WeakPolarHBondContact O-CB 3.5Å; G199-F203 PolarHBondContact O-N 3.32Å; C200-F203 WeakPolarHBondContact O-CB 3.4Å; C200-F203 PolarHBondContact O-N 3.36Å; T201-F203 VanDerWaalsContact C-N 3.35Å; T201-F203 PolarHBondContact O-N 3.19Å; F203-M206 HydrophobicContact CD2-CE 3.94Å; F203-M206 HydrophobicContact CE2-CE 3.94Å; F203-M206 WeakPolarHBondContact O-CB 3.43Å; F203-M206 PolarHBondContact O-N 2.52Å; F203-C207 PolarHBondContact O-N 3.29Å; F203-C207 PolarHBondContact O-SG 3.19Å; F203-V217 HydrophobicContact CE2-CG1 4.17Å; F203-V217 HydrophobicContact CE2-CG2 4Å; F203-V217 HydrophobicContact CZ-CB 4.39Å; F203-V217 HydrophobicContact CZ-CG1 4.03Å; F203-V217 HydrophobicContact CZ-CG2 4.23Å; F203-M220 HydrophobicContact CB-CE 4.13Å; F203-M220 HydrophobicContact CD1-CB 4.4Å; F203-M220 HydrophobicContact CD1-CE 4.02Å; F203-M220 HydrophobicContact CD1-CG 3.85Å; F203-M220 HydrophobicContact CD1-SD 4.14Å; F203-M220 HydrophobicContact CE1-CB 3.7Å; F203-M220 HydrophobicContact CE1-CG 3.65Å; F203-M220 HydrophobicContact CE1-SD 4.33Å; F203-M220 HydrophobicContact CG-CE 4.09Å; F203-M220 HydrophobicContact CG-SD 4.3Å; F203-M220 HydrophobicContact CZ-CB 3.89Å; F203-M220 HydrophobicContact CZ-CG 4.21Å; F203-V352 HydrophobicContact CE1-CB 4.4Å; F203-V352 HydrophobicContact CE1-CG2 4.47Å; F203-V352 HydrophobicContact CZ-CB 4.26Å; F203-V352 HydrophobicContact CZ-CG1 4.19Å; F203-V352 HydrophobicContact CZ-CG2 4.05Å
204	F	98.9	Very high	98.7	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-72.1	-32	178.5	-59.9	-39.8	0	0	0	112.8	C200 T201 S208 M220 A222 P225 V227 F323 L347 V350 T354 M373 L377	C200-F204 HydrophobicContact CB-CD2 4.4Å; C200-F204 HydrophobicContact CB-CE2 3.96Å; C200-F204 WeakPolarHBondContact O-CD2 3.37Å; C200-F204 WeakPolarHBondContact O-CG 3.04Å; C200-F204 PolarHBondContact O-N 3.2Å; T201-F204 PolarHBondContact O-N 3.35Å; F204-S208 VanDerWaalsContact O-CB 3.29Å; F204-S208 WeakPolarHBondContact O-CB 3.26Å; F204-S208 PolarHBondContact O-N 2.83Å; F204-S208 PolarHBondContact O-OG 3.4Å; F204-M220 HydrophobicContact CE1-CE 4.45Å; F204-M220 HydrophobicContact CE1-CG 4.31Å; F204-M220 HydrophobicContact CZ-CE 4.31Å; F204-A222 HydrophobicContact CZ-CB 4.24Å; F204-P225 HydrophobicContact CE2-CB 4.18Å; F204-V227 HydrophobicContact CD2-CG2 3.47Å; F204-V227 VanDerWaalsContact CD2-CG2 3.47Å; F204-V227 HydrophobicContact CE2-CG2 3.78Å; F204-F323 HydrophobicContact CB-CE1 4.27Å; F204-L347 HydrophobicContact CB-CD2 3.9Å; F204-V350 HydrophobicContact CB-CG2 4.43Å; F204-V350 HydrophobicContact CD1-CG1 3.85Å; F204-V350 HydrophobicContact CD1-CG2 4.22Å; F204-V350 HydrophobicContact CE1-CG1 4.19Å; F204-T354 HydrophobicContact CE1-CG2 4.33Å; F204-T354 HydrophobicContact CZ-CG2 4.31Å; F204-M373 HydrophobicContact CD2-SD 4.34Å; F204-M373 HydrophobicContact CE2-SD 3.68Å; F204-M373 HydrophobicContact CZ-SD 4.4Å; F204-L377 HydrophobicContact CD1-CD2 3.91Å; F204-L377 HydrophobicContact CE1-CD1 4.26Å; F204-L377 HydrophobicContact CE1-CD2 3.87Å; F204-L377 HydrophobicContact CG-CD2 4.4Å; F204-L377 HydrophobicContact CZ-CD1 4.04Å; F204-L377 HydrophobicContact CZ-CD2 4.3Å
205	V	98.9	Very high	98.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59.4	-51.5	166.5	172.3	0	0	0	0	110.6	W167 M172 T201 S202 C207 S208 M209 F323 Y345	W167-V205 HydrophobicContact CE3-CG2 3.6Å; W167-V205 HydrophobicContact CZ3-CG2 3.41Å; W167-V205 VanDerWaalsContact CZ3-CG2 3.41Å; M172-V205 HydrophobicContact CG-CG1 4.48Å; T201-V205 WeakPolarHBondContact O-CG2 3.35Å; T201-V205 PolarHBondContact O-N 2.82Å; S202-V205 PolarHBondContact O-N 3.33Å; V205-C207 PolarHBondContact O-N 3.15Å; V205-S208 PolarHBondContact O-N 3.09Å; V205-S208 PolarHBondContact O-OG 3.33Å; V205-M209 HydrophobicContact CG1-CG 4.05Å; V205-M209 VanDerWaalsContact O-CB 3.29Å; V205-M209 WeakPolarHBondContact O-CB 3.41Å; V205-M209 WeakPolarHBondContact O-CG 3.38Å; V205-M209 PolarHBondContact O-N 3.03Å; V205-F323 HydrophobicContact CG2-CE1 4.37Å; V205-F323 HydrophobicContact CG2-CE2 4.5Å; V205-F323 HydrophobicContact CG2-CZ 3.74Å; V205-Y345 HydrophobicContact CB-CE1 4.44Å; V205-Y345 HydrophobicContact CG1-CE1 3.88Å; V205-Y345 HydrophobicContact CG2-CD1 4.48Å; V205-Y345 HydrophobicContact CG2-CD2 4.29Å; V205-Y345 HydrophobicContact CG2-CE1 4.04Å; V205-Y345 HydrophobicContact CG2-CE2 3.82Å
206	M	98.9	Very high	98.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-55.5	-51.3	-178.9	-176	-170.6	62.6	0	0	111.3	G171 L175 P176 I179 S202 F203 S208 M209 R210 Y213	G171-M206 WeakPolarHBondContact O-CA 3.22Å; G171-M206 WeakPolarHBondContact O-CB 3.35Å; G171-M206 WeakPolarHBondContact O-CG 3.36Å; L175-M206 HydrophobicContact CB-SD 3.59Å; L175-M206 VanDerWaalsContact CB-SD 3.59Å; L175-M206 HydrophobicContact CD1-CB 4.48Å; P176-M206 HydrophobicContact CG-CG 3.93Å; P176-M206 HydrophobicContact CG-SD 4.01Å; I179-M206 HydrophobicContact CD1-CE 3.55Å; I179-M206 HydrophobicContact CD1-SD 3.58Å; I179-M206 VanDerWaalsContact CD1-SD 3.58Å; S202-M206 PolarHBondContact O-N 2.99Å; F203-M206 HydrophobicContact CD2-CE 3.94Å; F203-M206 HydrophobicContact CE2-CE 3.94Å; F203-M206 WeakPolarHBondContact O-CB 3.43Å; F203-M206 PolarHBondContact O-N 2.52Å; M206-S208 VanDerWaalsContact C-N 3.34Å; M206-S208 PolarHBondContact O-N 3.11Å; M206-M209 PolarHBondContact O-N 3.19Å; M206-R210 CarbonylContact O-C 3.41Å; M206-R210 WeakPolarHBondContact O-CA 3.3Å; M206-R210 WeakPolarHBondContact O-CB 3.14Å; M206-R210 PolarHBondContact O-N 3.31Å; M206-Y213 HydrophobicContact CG-CG 4.24Å; M206-Y213 HydrophobicContact SD-CD1 3.93Å; M206-Y213 HydrophobicContact SD-CG 3.92Å
207	C	98.8	Very high	98.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-70.7	-28.6	-175.8	-65.9	0	0	0	0	113.1	F203 V205 P211 N214 V350	F203-C207 PolarHBondContact O-N 3.29Å; F203-C207 PolarHBondContact O-SG 3.19Å; V205-C207 PolarHBondContact O-N 3.15Å; C207-P211 WeakPolarHBondContact O-CA 3.5Å; C207-N214 PolarHBondContact O-ND2 2.74Å; C207-V350 HydrophobicContact CB-CB 4.24Å; C207-V350 HydrophobicContact CB-CG1 4.02Å; C207-V350 HydrophobicContact CB-CG2 3.87Å
208	S	98.6	Very high	98.7	Very high	8 Å²	8	25.9 Å²	25.9	6%	0.056	15%	0.145	C	C	.	.	H	α-helix	trans	-78.8	-36.1	175.7	59.2	0	0	0	0	113.1	F204 V205 M206 N346 L349	F204-S208 VanDerWaalsContact O-CB 3.29Å; F204-S208 WeakPolarHBondContact O-CB 3.26Å; F204-S208 PolarHBondContact O-N 2.83Å; F204-S208 PolarHBondContact O-OG 3.4Å; V205-S208 PolarHBondContact O-N 3.09Å; V205-S208 PolarHBondContact O-OG 3.33Å; M206-S208 VanDerWaalsContact C-N 3.34Å; M206-S208 PolarHBondContact O-N 3.11Å; S208-N346 WeakPolarHBondContact CB-O 3.49Å; S208-L349 WeakPolarHBondContact O-CD1 3.34Å
209	M	98.5	Very high	98.7	Very high	89 Å²	89	26.4 Å²	26.4	44%	0.438	15%	0.149	S	C	.	.	H	α-helix	trans	-92.4	-27.3	-176.5	-64.1	-63.6	-61.6	0	0	113.5	M172 V205 M206 Y345	M172-M209 HydrophobicContact CE-CB 4.48Å; M172-M209 HydrophobicContact SD-CB 3.34Å; M172-M209 WeakPolarHBondContact SD-CB 3.49Å; M172-M209 HydrophobicContact SD-CE 4.47Å; M172-M209 HydrophobicContact SD-CG 3.94Å; V205-M209 HydrophobicContact CG1-CG 4.05Å; V205-M209 VanDerWaalsContact O-CB 3.29Å; V205-M209 WeakPolarHBondContact O-CB 3.41Å; V205-M209 WeakPolarHBondContact O-CG 3.38Å; V205-M209 PolarHBondContact O-N 3.03Å; M206-M209 PolarHBondContact O-N 3.19Å; M209-Y345 HydrophobicContact CG-CD1 3.71Å; M209-Y345 HydrophobicContact CG-CE1 3.69Å; M209-Y345 HydrophobicContact SD-CD1 3.65Å; M209-Y345 HydrophobicContact SD-CE1 3.77Å
210	R	98.6	Very high	98.7	Very high	56 Å²	56	26.4 Å²	26.4	21%	0.211	15%	0.149	C	C	.	.			trans	-128.5	69	177.1	-56.6	-178.2	72.8	156.3	1.2	110	E87 M172 M206 A212 Y213	E87-R210 IonicContact OE1-CZ 2.7Å; E87-R210 IonicContact OE1-NH1 3.34Å; E87-R210 PolarHBondContact OE1-NH1 3.06Å; E87-R210 IonicContact OE1-NH2 3.67Å; E87-R210 PolarHBondContact OE1-NH2 3.22Å; E87-R210 IonicContact OE2-NH1 2.75Å; M172-R210 HydrophobicContact CE-CG 4.09Å; M172-R210 PolarHBondContact O-NH1 2.98Å; M172-R210 HydrophobicContact SD-CG 4.21Å; M206-R210 CarbonylContact O-C 3.41Å; M206-R210 WeakPolarHBondContact O-CA 3.3Å; M206-R210 WeakPolarHBondContact O-CB 3.14Å; M206-R210 PolarHBondContact O-N 3.31Å; R210-A212 PolarHBondContact O-N 2.97Å; R210-Y213 HydrophobicContact CB-CD2 3.82Å; R210-Y213 HydrophobicContact CB-CE2 4.39Å; R210-Y213 PolarHBondContact O-N 2.83Å
211	P	98.4	Very high	98.7	Very high	58 Å²	58	26.7 Å²	26.7	38%	0.377	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-56.9	-21.8	-171.6	-27	35.8	0	0	0	115.7	C207 Y213 N214 L349	C207-P211 WeakPolarHBondContact O-CA 3.5Å; P211-Y213 PolarHBondContact O-N 3.09Å; P211-N214 WeakPolarHBondContact CA-ND2 3.47Å; P211-N214 WeakPolarHBondContact O-CB 3.44Å; P211-N214 PolarHBondContact O-N 3.11Å; P211-N214 PolarHBondContact O-ND2 3.48Å; P211-L349 HydrophobicContact CG-CB 4.43Å; P211-L349 HydrophobicContact CG-CD1 4.17Å
212	A	98.6	Very high	98.7	Very high	69 Å²	69	26.7 Å²	26.7	57%	0.57	15%	0.15	S	C	*	.	G	3₁₀ helix	trans	-59.2	-21.9	172.8	0	0	0	0	0	113.9	R210 N214 D215	R210-A212 PolarHBondContact O-N 2.97Å; A212-N214 VanDerWaalsContact C-N 3.29Å; A212-D215 PolarHBondContact O-N 3.03Å
213	Y	98.8	Very high	98.7	Very high	12 Å²	12	26.6 Å²	26.6	5%	0.047	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-75.1	-16.3	174.9	-81.5	-92.5	0	0	0	113.3	P176 I179 D180 M206 R210 P211 D215 K216	P176-Y213 HydrophobicContact CB-CE1 3.9Å; P176-Y213 HydrophobicContact CB-CE2 3.94Å; P176-Y213 VanDerWaalsContact CB-CZ 3.47Å; P176-Y213 WeakPolarHBondContact CB-OH 3.42Å; P176-Y213 HydrophobicContact CG-CE1 4.41Å; P176-Y213 HydrophobicContact CG-CE2 4.11Å; I179-Y213 HydrophobicContact CB-CD1 4.4Å; I179-Y213 HydrophobicContact CB-CE1 4.32Å; I179-Y213 HydrophobicContact CD1-CD1 4.11Å; I179-Y213 HydrophobicContact CG2-CD1 4.16Å; I179-Y213 HydrophobicContact CG2-CE1 4.24Å; D180-Y213 PolarHBondContact OD2-OH 2.91Å; M206-Y213 HydrophobicContact CG-CG 4.24Å; M206-Y213 HydrophobicContact SD-CD1 3.93Å; M206-Y213 HydrophobicContact SD-CG 3.92Å; R210-Y213 HydrophobicContact CB-CD2 3.82Å; R210-Y213 HydrophobicContact CB-CE2 4.39Å; R210-Y213 PolarHBondContact O-N 2.83Å; P211-Y213 PolarHBondContact O-N 3.09Å; Y213-D215 PolarHBondContact O-N 3.37Å; Y213-K216 HydrophobicContact CD1-CD 3.67Å; Y213-K216 HydrophobicContact CE1-CD 3.72Å; Y213-K216 HydrophobicContact CG-CD 4.37Å; Y213-K216 PolarHBondContact O-N 2.83Å
214	N	98.8	Very high	98.7	Very high	9 Å²	9	26.6 Å²	26.6	5%	0.048	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-57.1	-36.8	170.8	-69.4	-79.6	0	0	0	110.7	C207 P211 A212 K216 V217 L349 T351 V352	C207-N214 PolarHBondContact O-ND2 2.74Å; P211-N214 WeakPolarHBondContact CA-ND2 3.47Å; P211-N214 WeakPolarHBondContact O-CB 3.44Å; P211-N214 PolarHBondContact O-N 3.11Å; P211-N214 PolarHBondContact O-ND2 3.48Å; A212-N214 VanDerWaalsContact C-N 3.29Å; N214-K216 PolarHBondContact O-N 3.24Å; N214-V217 PolarHBondContact O-N 3.17Å; N214-L349 PolarHBondContact ND2-O 2.79Å; N214-L349 PolarHBondContact OD1-O 3.48Å; N214-T351 VanDerWaalsContact CB-OG1 3.27Å; N214-T351 WeakPolarHBondContact CB-OG1 3.29Å; N214-T351 PolarHBondContact OD1-N 3.06Å; N214-T351 PolarHBondContact OD1-OG1 3.03Å; N214-V352 HydrophobicContact CB-CG2 3.95Å; N214-V352 WeakPolarHBondContact OD1-CG2 3.27Å; N214-V352 PolarHBondContact OD1-N 3.45Å
215	D	98.6	Very high	98.7	Very high	112 Å²	112	26.7 Å²	26.7	60%	0.599	15%	0.15	S	C	*	.	G	3₁₀ helix	trans	-71.9	-11.6	-179.5	-70.8	-39.8	0	0	0	113.9	K190 A212 Y213	K190-D215 WeakPolarHBondContact CD-O 3.43Å; K190-D215 WeakPolarHBondContact CE-O 3.22Å; K190-D215 WeakPolarHBondContact CG-O 3.35Å; K190-D215 PolarHBondContact NZ-O 3.11Å; A212-D215 PolarHBondContact O-N 3.03Å; Y213-D215 PolarHBondContact O-N 3.37Å
216	K	98.9	Very high	98.6	Very high	58 Å²	58	27.3 Å²	27.3	25%	0.252	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-96.2	-2.6	-179.3	-66.5	-177.3	-179.1	179.9	0	113.4	I179 D180 L183 K190 L191 Y213 N214	I179-K216 HydrophobicContact CG2-CB 4.01Å; I179-K216 HydrophobicContact CG2-CD 4.18Å; D180-K216 IonicContact OD1-NZ 2.88Å; D180-K216 PolarHBondContact OD1-NZ 3.2Å; D180-K216 IonicContact OD2-NZ 3.36Å; D180-K216 PolarHBondContact OD2-NZ 3.36Å; L183-K216 HydrophobicContact CD1-CB 3.97Å; L183-K216 HydrophobicContact CD1-CD 4.13Å; L183-K216 HydrophobicContact CD1-CG 4.09Å; K190-K216 WeakPolarHBondContact CA-O 3.4Å; K190-K216 WeakPolarHBondContact CB-O 3.29Å; L191-K216 PolarHBondContact N-O 3.14Å; Y213-K216 HydrophobicContact CD1-CD 3.67Å; Y213-K216 HydrophobicContact CE1-CD 3.72Å; Y213-K216 HydrophobicContact CG-CD 4.37Å; Y213-K216 PolarHBondContact O-N 2.83Å; N214-K216 PolarHBondContact O-N 3.24Å
217	V	98.9	Very high	98.6	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.024	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	129.1	-175.6	-173.3	0	0	0	0	110.4	I179 L191 F203 N214 V352	I179-V217 HydrophobicContact CD1-CG2 4.33Å; L191-V217 HydrophobicContact CD1-CG2 4.41Å; L191-V217 CarbonylContact O-C 3.56Å; L191-V217 VanDerWaalsContact O-CA 3.32Å; L191-V217 WeakPolarHBondContact O-CA 3.38Å; F203-V217 HydrophobicContact CE2-CG1 4.17Å; F203-V217 HydrophobicContact CE2-CG2 4Å; F203-V217 HydrophobicContact CZ-CB 4.39Å; F203-V217 HydrophobicContact CZ-CG1 4.03Å; F203-V217 HydrophobicContact CZ-CG2 4.23Å; N214-V217 PolarHBondContact O-N 3.17Å; V217-V352 HydrophobicContact CB-CG1 4.01Å; V217-V352 HydrophobicContact CB-CG2 3.91Å; V217-V352 HydrophobicContact CG1-CG1 3.7Å; V217-V352 HydrophobicContact CG1-CG2 4.43Å
218	V	98.7	Very high	98.4	Very high	65 Å²	65	28.7 Å²	28.7	39%	0.394	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	-46.6	178.5	-179.5	0	0	0	0	110.8	K190 L191 H192	K190-V218 HydrophobicContact CB-CG2 3.51Å; K190-V218 HydrophobicContact CD-CG2 4.33Å; L191-V218 PolarHBondContact O-N 3.12Å; H192-V218 VanDerWaalsContact CE1-CG1 3.44Å; H192-V218 WeakPolarHBondContact CE1-CG1 3.37Å
219	S	98.6	Very high	98.1	Very high	14 Å²	14	28.8 Å²	28.8	10%	0.098	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	148.2	-179.3	68.5	0	0	0	0	111.1	H192 Y193 P353	H192-S219 PolarHBondContact ND1-OG 3.43Å; Y193-S219 PolarHBondContact N-O 3.38Å; S219-P353 WeakPolarHBondContact CA-O 3.44Å
220	M	98.7	Very high	97.7	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	123.5	171.4	168	45.9	166.4	0	0	110.2	Y193 C200 F203 F204 A222 V352 P353 T354 F355	Y193-M220 HydrophobicContact CD1-CE 4.06Å; Y193-M220 HydrophobicContact CD1-SD 3.39Å; Y193-M220 WeakPolarHBondContact CD1-SD 3.21Å; Y193-M220 HydrophobicContact CE1-CE 4Å; Y193-M220 HydrophobicContact CE1-SD 3.96Å; Y193-M220 HydrophobicContact CG-SD 4.41Å; Y193-M220 CarbonylContact O-C 3.55Å; Y193-M220 WeakPolarHBondContact O-CA 3.46Å; C200-M220 HydrophobicContact CB-CE 4.07Å; F203-M220 HydrophobicContact CB-CE 4.13Å; F203-M220 HydrophobicContact CD1-CB 4.4Å; F203-M220 HydrophobicContact CD1-CE 4.02Å; F203-M220 HydrophobicContact CD1-CG 3.85Å; F203-M220 HydrophobicContact CD1-SD 4.14Å; F203-M220 HydrophobicContact CE1-CB 3.7Å; F203-M220 HydrophobicContact CE1-CG 3.65Å; F203-M220 HydrophobicContact CE1-SD 4.33Å; F203-M220 HydrophobicContact CG-CE 4.09Å; F203-M220 HydrophobicContact CG-SD 4.3Å; F203-M220 HydrophobicContact CZ-CB 3.89Å; F203-M220 HydrophobicContact CZ-CG 4.21Å; F204-M220 HydrophobicContact CE1-CE 4.45Å; F204-M220 HydrophobicContact CE1-CG 4.31Å; F204-M220 HydrophobicContact CZ-CE 4.31Å; M220-A222 HydrophobicContact CE-CB 3.84Å; M220-A222 HydrophobicContact CG-CB 4.49Å; M220-V352 HydrophobicContact CB-CG1 3.93Å; M220-P353 PolarHBondContact N-O 2.96Å; M220-T354 HydrophobicContact CB-CG2 4.35Å; M220-T354 HydrophobicContact CG-CG2 3.94Å; M220-T354 CarbonylContact O-C 3.33Å; M220-T354 WeakPolarHBondContact O-CA 3.37Å; M220-F355 PolarHBondContact O-N 3.46Å
221	Q	98.9	Very high	97.3	Very high	5 Å²	5	32.2 Å²	32.2	2%	0.023	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	99.1	172.2	-52.6	-65.7	-40.6	0	0	108.1	F105 Y193 A194 G195 L223 Y357 M410 L414	F105-Q221 HydrophobicContact CZ-CG 4.21Å; Y193-Q221 PolarHBondContact O-N 3.18Å; A194-Q221 VanDerWaalsContact CA-O 3.23Å; A194-Q221 WeakPolarHBondContact CA-O 3.23Å; A194-Q221 HydrophobicContact CB-CB 3.8Å; A194-Q221 WeakPolarHBondContact CB-O 3.49Å; G195-Q221 PolarHBondContact N-O 3.29Å; Q221-L223 PolarHBondContact O-N 3.36Å; Q221-Y357 HydrophobicContact CB-CE2 4.11Å; Q221-Y357 VanDerWaalsContact OE1-CE2 3.28Å; Q221-Y357 PolarHBondContact OE1-OH 3.41Å; Q221-M410 HydrophobicContact CB-CE 4.04Å; Q221-M410 HydrophobicContact CB-SD 4.34Å; Q221-M410 HydrophobicContact CG-CE 3.99Å; Q221-M410 HydrophobicContact CG-CG 4.38Å; Q221-L414 HydrophobicContact CG-CD2 4.31Å
222	A	98.9	Very high	96.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	104.8	-173.2	0	0	0	0	0	110.7	F204 M220 P225 T354 F355 V356 Y357	F204-A222 HydrophobicContact CZ-CB 4.24Å; M220-A222 HydrophobicContact CE-CB 3.84Å; M220-A222 HydrophobicContact CG-CB 4.49Å; A222-P225 HydrophobicContact CB-CB 4.41Å; A222-T354 HydrophobicContact CB-CG2 4.27Å; A222-F355 PolarHBondContact N-O 2.8Å; A222-V356 HydrophobicContact CB-CG2 4.27Å; A222-Y357 PolarHBondContact O-N 3.44Å
223	L	98.9	Very high	95.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	114.3	179.9	-52	176.6	0	0	0	109.4	L127 G195 H196 S197 Q221 Y357 F396 L406 M410	L127-L223 HydrophobicContact CD2-CD1 3.99Å; G195-L223 WeakPolarHBondContact O-CB 3.27Å; G195-L223 PolarHBondContact O-N 3.1Å; H196-L223 CarbonylContact C-O 3.59Å; H196-L223 VanDerWaalsContact CA-O 3.31Å; H196-L223 WeakPolarHBondContact CA-O 3.26Å; H196-L223 HydrophobicContact CB-CB 4.42Å; S197-L223 PolarHBondContact N-O 3Å; Q221-L223 PolarHBondContact O-N 3.36Å; L223-Y357 HydrophobicContact CD2-CD2 3.56Å; L223-Y357 HydrophobicContact CD2-CE2 4.22Å; L223-Y357 HydrophobicContact CD2-CG 3.86Å; L223-F396 HydrophobicContact CB-CD1 3.96Å; L223-F396 HydrophobicContact CD2-CD1 4.4Å; L223-L406 HydrophobicContact CD2-CD1 4.5Å; L223-L406 HydrophobicContact CD2-CD2 3.9Å; L223-M410 HydrophobicContact CD2-SD 4.46Å
224	A	98.4	Very high	95.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	48.5	64.8	-178.9	0	0	0	0	0	113.1	S197 A226 Y357 D362 C365 F396	S197-A224 WeakPolarHBondContact CA-O 3.34Å; S197-A224 PolarHBondContact N-O 3.31Å; A224-A226 PolarHBondContact O-N 3.37Å; A224-Y357 PolarHBondContact N-O 3.5Å; A224-D362 WeakPolarHBondContact CB-OD2 3.4Å; A224-C365 PolarHBondContact O-SG 3.07Å; A224-F396 HydrophobicContact CB-CD1 4.41Å; A224-F396 HydrophobicContact CB-CD2 3.82Å; A224-F396 HydrophobicContact CB-CE1 4.34Å; A224-F396 HydrophobicContact CB-CE2 3.75Å; A224-F396 HydrophobicContact CB-CG 4.19Å; A224-F396 HydrophobicContact CB-CZ 4.04Å
225	P	98.5	Very high	94.4	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.013	19%	0.193	C	C	.	.			trans	-71.5	113	-169.7	29	-35.5	0	0	0	113.3	C200 F204 A222 V227 V356 V370 M373	C200-P225 HydrophobicContact CB-CB 3.7Å; F204-P225 HydrophobicContact CE2-CB 4.18Å; A222-P225 HydrophobicContact CB-CB 4.41Å; P225-V227 HydrophobicContact CB-CG2 4.29Å; P225-V227 PolarHBondContact O-N 3.46Å; P225-V227 VanDerWaalsContact O-N 3.11Å; P225-V356 HydrophobicContact CG-CG1 3.86Å; P225-V370 HydrophobicContact CG-CG1 3.94Å; P225-V370 HydrophobicContact CG-CG2 4.19Å; P225-M373 HydrophobicContact CB-CE 4.11Å; P225-M373 HydrophobicContact CB-SD 3.72Å; P225-M373 HydrophobicContact CG-CE 3.66Å; P225-M373 HydrophobicContact CG-SD 3.86Å
226	A	97.2	Very high	93.7	Very high	12 Å²	12	36 Å²	36	10%	0.099	19%	0.185	C	C	.	.			trans	-84.2	76	179.5	0	0	0	0	0	112.2	T201 A224 F314	T201-A226 PolarHBondContact OG1-O 2.75Å; A224-A226 PolarHBondContact O-N 3.37Å; A226-F314 HydrophobicContact CB-CE1 4.07Å; A226-F314 HydrophobicContact CB-CZ 4.38Å
227	V	97.7	Very high	92.7	Very high	1 Å²	1	35 Å²	35	1%	0.006	18%	0.18	C	C	.	.	S	Bend	trans	-115.7	-56.7	-173.8	-176.5	0	0	0	0	112.1	F204 P225 I317 F323 L347 M373	F204-V227 HydrophobicContact CD2-CG2 3.47Å; F204-V227 VanDerWaalsContact CD2-CG2 3.47Å; F204-V227 HydrophobicContact CE2-CG2 3.78Å; P225-V227 HydrophobicContact CB-CG2 4.29Å; P225-V227 PolarHBondContact O-N 3.46Å; P225-V227 VanDerWaalsContact O-N 3.11Å; V227-I317 WeakPolarHBondContact O-CG2 3.3Å; V227-F323 HydrophobicContact CG1-CB 4.06Å; V227-F323 HydrophobicContact CG1-CD1 3.49Å; V227-F323 VanDerWaalsContact CG1-CD1 3.49Å; V227-F323 HydrophobicContact CG1-CD2 3.82Å; V227-F323 HydrophobicContact CG1-CE1 3.81Å; V227-F323 HydrophobicContact CG1-CE2 4.14Å; V227-F323 HydrophobicContact CG1-CG 3.51Å; V227-F323 HydrophobicContact CG1-CZ 4.12Å; V227-F323 WeakPolarHBondContact O-CD2 3.15Å; V227-L347 HydrophobicContact CG1-CD1 4.1Å; V227-M373 HydrophobicContact CB-CB 4.47Å; V227-M373 HydrophobicContact CB-CG 3.86Å; V227-M373 HydrophobicContact CB-SD 3.77Å; V227-M373 HydrophobicContact CG1-CG 3.92Å; V227-M373 HydrophobicContact CG1-SD 4.38Å; V227-M373 HydrophobicContact CG2-CG 4.1Å; V227-M373 HydrophobicContact CG2-SD 3.44Å; V227-M373 WeakPolarHBondContact CG2-SD 3.34Å
228	Y	96.4	Very high	91.9	Very high	28 Å²	28	35.2 Å²	35.2	11%	0.11	18%	0.181	C	C	.	.			trans	-103.3	149.5	168.6	-60.3	-29	0	0	0	108.9	F323 D369 M373 D376	Y228-F323 HydrophobicContact CD1-CB 3.8Å; Y228-F323 HydrophobicContact CE1-CB 3.43Å; Y228-F323 VanDerWaalsContact CE1-CB 3.43Å; Y228-F323 HydrophobicContact CE1-CG 4.45Å; Y228-D369 WeakPolarHBondContact O-CB 3.4Å; Y228-M373 HydrophobicContact CD2-CB 3.78Å; Y228-M373 VanDerWaalsContact CE2-CA 3.42Å; Y228-M373 HydrophobicContact CE2-CB 3.99Å; Y228-M373 HydrophobicContact CG-CB 4.49Å; Y228-D376 WeakPolarHBondContact CE2-OD2 3.39Å; Y228-D376 VanDerWaalsContact CZ-OD2 3.31Å; Y228-D376 PolarHBondContact OH-OD2 3.43Å
229	A	91.8	Very high	91.2	Very high	10 Å²	10	39 Å²	39	8%	0.083	19%	0.188	C	C	.	.			trans	-152.8	32.4	-174.6	0	0	0	0	0	111.3	T232 I317 I318 D369	A229-T232 PolarHBondContact O-OG1 3.32Å; A229-I317 HydrophobicContact CB-CG2 4.16Å; A229-I318 HydrophobicContact CB-CG1 3.63Å; A229-D369 WeakPolarHBondContact CA-OD2 3.24Å
230	K	89.3	Confident	90.3	Very high	135 Å²	135	38.6 Å²	38.6	59%	0.587	19%	0.185	S	C	*	.	S	Bend	trans	-72.5	-38	-176.2	-174	-174.3	177.8	-169.8	0	110.5	T232 E233 D369	K230-T232 PolarHBondContact O-N 3.42Å; K230-E233 PolarHBondContact O-N 3.44Å; K230-D369 PolarHBondContact N-OD1 3.49Å; K230-D369 PolarHBondContact N-OD2 2.9Å
231	E	90.3	Very high	89.4	Confident	83 Å²	83	40 Å²	40	39%	0.388	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-11.9	-177.2	-58.6	-78.6	134	0	0	112.3	H366 K368 D369	E231-H366 HydrophobicContact CB-CB 3.96Å; E231-K368 HydrophobicContact CG-CB 4.08Å; E231-K368 HydrophobicContact CG-CD 4.17Å; E231-K368 WeakPolarHBondContact OE2-CD 3.49Å; E231-K368 IonicContact OE2-NZ 3.3Å; E231-K368 PolarHBondContact OE2-NZ 2.85Å; E231-D369 WeakPolarHBondContact CB-OD2 3.44Å; E231-D369 PolarHBondContact N-OD1 3.34Å; E231-D369 PolarHBondContact N-OD2 3.32Å
232	T	84.5	Confident	88.5	Confident	7 Å²	7	40.4 Å²	40.4	4%	0.043	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-10.8	178.6	68.1	0	0	0	0	113.4	A229 K230 D234 H235 I238 L363 H366	A229-T232 PolarHBondContact O-OG1 3.32Å; K230-T232 PolarHBondContact O-N 3.42Å; T232-D234 VanDerWaalsContact C-N 3.34Å; T232-D234 PolarHBondContact O-N 3Å; T232-H235 VanDerWaalsContact O-CB 3.27Å; T232-H235 WeakPolarHBondContact O-CB 3.29Å; T232-H235 PolarHBondContact O-N 3.23Å; T232-H235 VanDerWaalsContact O-N 3.08Å; T232-I238 WeakPolarHBondContact O-CB 3.48Å; T232-L363 WeakPolarHBondContact CG2-O 3.42Å; T232-H366 HydrophobicContact CG2-CB 3.94Å
233	E	83.2	Confident	87.6	Confident	81 Å²	81	45.2 Å²	45.2	38%	0.379	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-42.4	-174.4	-176.8	173.5	-159.9	0	0	113.1	K230 H235 I318	K230-E233 PolarHBondContact O-N 3.44Å; E233-H235 VanDerWaalsContact C-N 3.25Å; E233-H235 PolarHBondContact O-N 2.96Å; E233-I318 HydrophobicContact CB-CG2 3.76Å; E233-I318 HydrophobicContact CG-CG2 4.06Å
234	D	83.5	Confident	86.6	Confident	137 Å²	137	46.6 Å²	46.6	73%	0.733	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-7.5	-177.9	-75.6	-39.7	0	0	0	113.5	T232	T232-D234 VanDerWaalsContact C-N 3.34Å; T232-D234 PolarHBondContact O-N 3Å
235	H	83.3	Confident	85.6	Confident	46 Å²	46	46.9 Å²	46.9	21%	0.213	23%	0.228	C	C	.	.			trans	-65.1	126	-179.5	-173.3	-102.4	0	0	0	110.6	T232 E233 Y237 I238 R239 G281	T232-H235 VanDerWaalsContact O-CB 3.27Å; T232-H235 WeakPolarHBondContact O-CB 3.29Å; T232-H235 PolarHBondContact O-N 3.23Å; T232-H235 VanDerWaalsContact O-N 3.08Å; E233-H235 VanDerWaalsContact C-N 3.25Å; E233-H235 PolarHBondContact O-N 2.96Å; H235-Y237 VanDerWaalsContact C-N 3.28Å; H235-Y237 AromaticContact CE1-CD2 3.47Å; H235-Y237 VanDerWaalsContact CE1-CD2 3.47Å; H235-Y237 WeakPolarHBondContact CE1-CD2 3.34Å; H235-Y237 PolarHBondContact O-N 3.44Å; H235-Y237 VanDerWaalsContact O-N 3.1Å; H235-I238 HydrophobicContact CB-CB 4.1Å; H235-I238 HydrophobicContact CB-CG1 3.88Å; H235-I238 PolarHBondContact O-N 3.38Å; H235-R239 PolarHBondContact O-N 2.97Å; H235-G281 PolarHBondContact CE1-O 2.82Å
236	P	83.4	Confident	84.4	Confident	68 Å²	68	49.5 Å²	49.5	44%	0.442	24%	0.242	S	C	.	.	H	α-helix	trans	-56.9	-35.7	-169.2	-28.8	34.9	0	0	0	115.2	A240	P236-A240 WeakPolarHBondContact O-CB 3.41Å; P236-A240 PolarHBondContact O-N 3.19Å
237	Y	78.6	Confident	83.3	Confident	37 Å²	37	53 Å²	53	15%	0.145	27%	0.266	C	S	.	.	H	α-helix	trans	-75.9	-40.2	178.3	-68.8	-85.1	0	0	0	112	L5 L9 H235 R239 A240 I241 G281	L5-Y237 VanDerWaalsContact CB-OH 3.27Å; L5-Y237 WeakPolarHBondContact CB-OH 3.48Å; L9-Y237 HydrophobicContact CB-CD1 4.35Å; L9-Y237 HydrophobicContact CB-CE1 4.31Å; L9-Y237 HydrophobicContact CD2-CD1 3.54Å; L9-Y237 HydrophobicContact CD2-CE1 4.25Å; L9-Y237 HydrophobicContact CD2-CG 4.48Å; H235-Y237 VanDerWaalsContact C-N 3.28Å; H235-Y237 AromaticContact CE1-CD2 3.47Å; H235-Y237 VanDerWaalsContact CE1-CD2 3.47Å; H235-Y237 WeakPolarHBondContact CE1-CD2 3.34Å; H235-Y237 PolarHBondContact O-N 3.44Å; H235-Y237 VanDerWaalsContact O-N 3.1Å; Y237-R239 VanDerWaalsContact C-N 3.32Å; Y237-R239 PolarHBondContact O-N 3.23Å; Y237-A240 PolarHBondContact O-N 3.35Å; Y237-I241 WeakPolarHBondContact O-CB 3.38Å; Y237-I241 WeakPolarHBondContact O-CG1 3.38Å; Y237-I241 PolarHBondContact O-N 2.96Å; Y237-G281 WeakPolarHBondContact CB-O 3.45Å; Y237-G281 WeakPolarHBondContact CD2-O 3.25Å
238	I	81.4	Confident	82	Confident	9 Å²	9	53.6 Å²	53.6	5%	0.046	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-42.3	175	-60.8	-58.3	0	0	0	110.1	T232 H235 A240 I241 S242 I318 L364	T232-I238 WeakPolarHBondContact O-CB 3.48Å; H235-I238 HydrophobicContact CB-CB 4.1Å; H235-I238 HydrophobicContact CB-CG1 3.88Å; H235-I238 PolarHBondContact O-N 3.38Å; I238-A240 PolarHBondContact O-N 3.08Å; I238-I241 PolarHBondContact O-N 3.47Å; I238-S242 VanDerWaalsContact O-CB 3.29Å; I238-S242 WeakPolarHBondContact O-CB 3.44Å; I238-S242 PolarHBondContact O-N 3.23Å; I238-I318 HydrophobicContact CG2-CD1 3.89Å; I238-I318 HydrophobicContact CG2-CG2 4.21Å; I238-L364 HydrophobicContact CD1-CD2 3.69Å
239	R	83.5	Confident	80.5	Confident	145 Å²	145	56.5 Å²	56.5	55%	0.547	29%	0.289	S	S	.	.	H	α-helix	trans	-63	-41.7	173.8	-173.1	172.4	175.7	171.4	1	112.5	H235 Y237 S242 L243	H235-R239 PolarHBondContact O-N 2.97Å; Y237-R239 VanDerWaalsContact C-N 3.32Å; Y237-R239 PolarHBondContact O-N 3.23Å; R239-S242 PolarHBondContact O-N 2.93Å; R239-L243 HydrophobicContact CG-CD1 4.38Å; R239-L243 WeakPolarHBondContact O-CB 3.49Å; R239-L243 VanDerWaalsContact O-CG 3.28Å; R239-L243 WeakPolarHBondContact O-CG 3.45Å; R239-L243 PolarHBondContact O-N 2.82Å
240	A	81.1	Confident	79.3	Confident	4 Å²	4	59.8 Å²	59.8	3%	0.033	32%	0.324	C	S	.	.	H	α-helix	trans	-63.6	-44.7	177.3	0	0	0	0	0	111.8	L10 P236 Y237 I238 L243 Y244	L10-A240 HydrophobicContact CD1-CB 4.42Å; L10-A240 HydrophobicContact CD2-CB 4.23Å; L10-A240 HydrophobicContact CG-CB 4.34Å; P236-A240 WeakPolarHBondContact O-CB 3.41Å; P236-A240 PolarHBondContact O-N 3.19Å; Y237-A240 PolarHBondContact O-N 3.35Å; I238-A240 PolarHBondContact O-N 3.08Å; A240-L243 PolarHBondContact O-N 3.26Å; A240-Y244 WeakPolarHBondContact O-CB 3.4Å; A240-Y244 PolarHBondContact O-N 3.16Å
241	I	78.2	Confident	78.3	Confident	31 Å²	31	55.2 Å²	55.2	16%	0.159	31%	0.309	C	S	.	.	H	α-helix	trans	-61.3	-50.2	173.9	-75.7	176.4	0	0	0	110.3	L9 L13 Y237 I238 L243 Y244 F245 I282	L9-I241 HydrophobicContact CD2-CD1 4.23Å; L9-I241 HydrophobicContact CD2-CG1 4.34Å; L13-I241 HydrophobicContact CD1-CG1 4.06Å; Y237-I241 WeakPolarHBondContact O-CB 3.38Å; Y237-I241 WeakPolarHBondContact O-CG1 3.38Å; Y237-I241 PolarHBondContact O-N 2.96Å; I238-I241 PolarHBondContact O-N 3.47Å; I241-L243 VanDerWaalsContact C-N 3.29Å; I241-L243 PolarHBondContact O-N 2.92Å; I241-Y244 PolarHBondContact O-N 2.93Å; I241-Y244 VanDerWaalsContact O-N 3.11Å; I241-F245 HydrophobicContact CB-CD2 4.49Å; I241-F245 HydrophobicContact CG2-CD2 3.52Å; I241-F245 HydrophobicContact CG2-CE2 3.69Å; I241-F245 WeakPolarHBondContact O-CB 3.41Å; I241-F245 VanDerWaalsContact O-CD2 3.27Å; I241-F245 WeakPolarHBondContact O-CD2 3.27Å; I241-F245 PolarHBondContact O-N 3.2Å; I241-I282 HydrophobicContact CD1-CB 4.36Å; I241-I282 HydrophobicContact CD1-CG2 3.27Å
242	S	80.1	Confident	77.5	Confident	13 Å²	13	56.1 Å²	56.1	9%	0.091	32%	0.324	C	S	.	.	H	α-helix	trans	-54	-46.4	177.5	-178.3	0	0	0	0	111.5	I238 R239 N246	I238-S242 VanDerWaalsContact O-CB 3.29Å; I238-S242 WeakPolarHBondContact O-CB 3.44Å; I238-S242 PolarHBondContact O-N 3.23Å; R239-S242 PolarHBondContact O-N 2.93Å; S242-N246 VanDerWaalsContact O-CB 3.3Å; S242-N246 WeakPolarHBondContact O-CB 3.22Å; S242-N246 PolarHBondContact O-N 2.91Å; S242-N246 PolarHBondContact O-ND2 3.3Å; S242-N246 PolarHBondContact OG-ND2 3.45Å
243	L	81.3	Confident	77.1	Confident	100 Å²	100	57.4 Å²	57.4	52%	0.524	33%	0.33	S	S	.	.	H	α-helix	trans	-62.2	-47.1	176.1	-72.5	171.2	0	0	0	112.5	R239 A240 I241 N246 S247	R239-L243 HydrophobicContact CG-CD1 4.38Å; R239-L243 WeakPolarHBondContact O-CB 3.49Å; R239-L243 VanDerWaalsContact O-CG 3.28Å; R239-L243 WeakPolarHBondContact O-CG 3.45Å; R239-L243 PolarHBondContact O-N 2.82Å; A240-L243 PolarHBondContact O-N 3.26Å; I241-L243 VanDerWaalsContact C-N 3.29Å; I241-L243 PolarHBondContact O-N 2.92Å; L243-N246 PolarHBondContact O-N 3.15Å; L243-S247 PolarHBondContact O-N 3.41Å
244	Y	78.2	Confident	77.1	Confident	29 Å²	29	58.3 Å²	58.3	11%	0.114	33%	0.331	C	S	.	.	H	α-helix	trans	-59.4	-49.2	178	173	-96.3	0	0	0	111.4	L13 V17 A240 I241 N246 S247 L248	L13-Y244 HydrophobicContact CB-CD1 4.45Å; L13-Y244 HydrophobicContact CB-CD2 4.41Å; L13-Y244 HydrophobicContact CB-CE1 4.1Å; L13-Y244 HydrophobicContact CB-CE2 4.03Å; L13-Y244 HydrophobicContact CD1-CD1 4.3Å; L13-Y244 HydrophobicContact CD1-CG 4.49Å; L13-Y244 HydrophobicContact CD2-CE1 4.5Å; L13-Y244 PolarHBondContact O-OH 2.89Å; V17-Y244 WeakPolarHBondContact CB-OH 3.49Å; V17-Y244 WeakPolarHBondContact CG2-OH 3.44Å; A240-Y244 WeakPolarHBondContact O-CB 3.4Å; A240-Y244 PolarHBondContact O-N 3.16Å; I241-Y244 PolarHBondContact O-N 2.93Å; I241-Y244 VanDerWaalsContact O-N 3.11Å; Y244-N246 PolarHBondContact O-N 2.87Å; Y244-S247 WeakPolarHBondContact O-CA 3.39Å; Y244-S247 VanDerWaalsContact O-CB 3.3Å; Y244-S247 WeakPolarHBondContact O-CB 3.36Å; Y244-S247 PolarHBondContact O-N 3.44Å; Y244-S247 PolarHBondContact O-OG 3.22Å; Y244-L248 HydrophobicContact CD1-CD1 4.33Å; Y244-L248 HydrophobicContact CE1-CD1 3.72Å; Y244-L248 HydrophobicContact CE1-CG 4.35Å; Y244-L248 PolarHBondContact O-N 3.39Å
245	F	75.3	Confident	77.1	Confident	7 Å²	7	54 Å²	54	3%	0.031	31%	0.306	C	S	.	.	H	α-helix	trans	-68.3	-33.1	179	-84.9	-92.8	0	0	0	113.1	I241 S247 L248 V249 M256 F257 V311 I315	I241-F245 HydrophobicContact CB-CD2 4.49Å; I241-F245 HydrophobicContact CG2-CD2 3.52Å; I241-F245 HydrophobicContact CG2-CE2 3.69Å; I241-F245 WeakPolarHBondContact O-CB 3.41Å; I241-F245 VanDerWaalsContact O-CD2 3.27Å; I241-F245 WeakPolarHBondContact O-CD2 3.27Å; I241-F245 PolarHBondContact O-N 3.2Å; F245-S247 PolarHBondContact O-N 3.45Å; F245-L248 HydrophobicContact CD1-CD1 4.46Å; F245-L248 WeakPolarHBondContact O-CB 3.47Å; F245-L248 PolarHBondContact O-N 2.96Å; F245-L248 VanDerWaalsContact O-N 3.12Å; F245-V249 PolarHBondContact O-N 3.43Å; F245-M256 HydrophobicContact CD1-CE 4.08Å; F245-M256 HydrophobicContact CD1-SD 4.16Å; F245-M256 HydrophobicContact CE1-CE 3.16Å; F245-M256 HydrophobicContact CE1-SD 3.4Å; F245-M256 WeakPolarHBondContact CE1-SD 3.09Å; F245-M256 HydrophobicContact CZ-CE 3.44Å; F245-M256 VanDerWaalsContact CZ-CE 3.44Å; F245-M256 HydrophobicContact CZ-SD 4.22Å; F245-F257 HydrophobicContact CZ-CE2 4.07Å; F245-F257 AromaticContact CZ-CZ 3.99Å; F245-F257 HydrophobicContact CZ-CZ 3.99Å; F245-V311 HydrophobicContact CD1-CB 3.9Å; F245-V311 HydrophobicContact CD1-CG1 3.49Å; F245-V311 VanDerWaalsContact CD1-CG1 3.49Å; F245-V311 HydrophobicContact CD2-CG1 4.2Å; F245-V311 HydrophobicContact CE1-CB 3.62Å; F245-V311 HydrophobicContact CE1-CG1 3.31Å; F245-V311 HydrophobicContact CE1-CG2 3.77Å; F245-V311 HydrophobicContact CE2-CG1 4.1Å; F245-V311 HydrophobicContact CG-CG1 3.93Å; F245-V311 HydrophobicContact CZ-CB 4.32Å; F245-V311 HydrophobicContact CZ-CG1 3.66Å; F245-V311 HydrophobicContact CZ-CG2 4.25Å; F245-I315 HydrophobicContact CB-CD1 3.37Å; F245-I315 HydrophobicContact CG-CD1 4.03Å
246	N	74.3	Confident	77.1	Confident	57 Å²	57	52.7 Å²	52.7	31%	0.305	30%	0.3	S	S	.	.	H	α-helix	trans	-62.7	-33.6	170.4	-70.1	-39.8	0	0	0	110.9	S242 L243 Y244 L248 V249 K319	S242-N246 VanDerWaalsContact O-CB 3.3Å; S242-N246 WeakPolarHBondContact O-CB 3.22Å; S242-N246 PolarHBondContact O-N 2.91Å; S242-N246 PolarHBondContact O-ND2 3.3Å; S242-N246 PolarHBondContact OG-ND2 3.45Å; L243-N246 PolarHBondContact O-N 3.15Å; Y244-N246 PolarHBondContact O-N 2.87Å; N246-L248 VanDerWaalsContact C-N 3.25Å; N246-L248 PolarHBondContact O-N 3.36Å; N246-V249 VanDerWaalsContact O-CB 3.22Å; N246-V249 WeakPolarHBondContact O-CB 3.41Å; N246-V249 WeakPolarHBondContact O-CG2 3.39Å; N246-V249 PolarHBondContact O-N 2.89Å; N246-V249 VanDerWaalsContact O-N 3.14Å; N246-K319 PolarHBondContact ND2-NZ 3.01Å; N246-K319 PolarHBondContact OD1-NZ 2.92Å
247	S	73.6	Confident	77	Confident	86 Å²	86	52.1 Å²	52.1	60%	0.601	29%	0.291	S	S	*	.	H	α-helix	trans	-68.7	-23.5	174.3	84.9	0	0	0	0	113.4	L243 Y244 F245 V249	L243-S247 PolarHBondContact O-N 3.41Å; Y244-S247 WeakPolarHBondContact O-CA 3.39Å; Y244-S247 VanDerWaalsContact O-CB 3.3Å; Y244-S247 WeakPolarHBondContact O-CB 3.36Å; Y244-S247 PolarHBondContact O-N 3.44Å; Y244-S247 PolarHBondContact O-OG 3.22Å; F245-S247 PolarHBondContact O-N 3.45Å; S247-V249 VanDerWaalsContact C-N 3.29Å
248	L	71.3	Confident	76.5	Confident	12 Å²	12	53.5 Å²	53.5	6%	0.063	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-5	173.4	-55.3	-175.3	0	0	0	112.5	Y244 F245 N246 G250 S251 I253 M256	Y244-L248 HydrophobicContact CD1-CD1 4.33Å; Y244-L248 HydrophobicContact CE1-CD1 3.72Å; Y244-L248 HydrophobicContact CE1-CG 4.35Å; Y244-L248 PolarHBondContact O-N 3.39Å; F245-L248 HydrophobicContact CD1-CD1 4.46Å; F245-L248 WeakPolarHBondContact O-CB 3.47Å; F245-L248 PolarHBondContact O-N 2.96Å; F245-L248 VanDerWaalsContact O-N 3.12Å; N246-L248 VanDerWaalsContact C-N 3.25Å; N246-L248 PolarHBondContact O-N 3.36Å; L248-G250 PolarHBondContact O-N 3.49Å; L248-S251 VanDerWaalsContact O-CB 3.31Å; L248-S251 WeakPolarHBondContact O-CB 3.01Å; L248-S251 PolarHBondContact O-N 2.97Å; L248-S251 PolarHBondContact O-OG 3.37Å; L248-I253 HydrophobicContact CD1-CD1 4.11Å; L248-I253 HydrophobicContact CD2-CD1 3.85Å; L248-I253 HydrophobicContact CG-CD1 4.43Å; L248-M256 HydrophobicContact CD1-CE 3.85Å
249	V	65.6	Low	75.9	Confident	89 Å²	89	54.2 Å²	54.2	54%	0.539	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	121.6	174.2	176.8	0	0	0	0	109	F245 N246 S247 K312	F245-V249 PolarHBondContact O-N 3.43Å; N246-V249 VanDerWaalsContact O-CB 3.22Å; N246-V249 WeakPolarHBondContact O-CB 3.41Å; N246-V249 WeakPolarHBondContact O-CG2 3.39Å; N246-V249 PolarHBondContact O-N 2.89Å; N246-V249 VanDerWaalsContact O-N 3.14Å; S247-V249 VanDerWaalsContact C-N 3.29Å; V249-K312 HydrophobicContact CG2-CD 4.45Å
250	G	65	Low	75	Confident	79 Å²	79	48.5 Å²	48.5	81%	0.814	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.8	-9.1	-173.8	0	0	0	0	0	114.5	L248	L248-G250 PolarHBondContact O-N 3.49Å
251	S	68.4	Low	74.4	Confident	40 Å²	40	49.6 Å²	49.6	28%	0.28	29%	0.294	S	S	.	.	S	Bend	trans	-71.5	159	170.5	73	0	0	0	0	111.7	L248 I253	L248-S251 VanDerWaalsContact O-CB 3.31Å; L248-S251 WeakPolarHBondContact O-CB 3.01Å; L248-S251 PolarHBondContact O-N 2.97Å; L248-S251 PolarHBondContact O-OG 3.37Å; S251-I253 PolarHBondContact O-N 2.84Å; S251-I253 PolarHBondContact OG-N 3.27Å
252	S	73.4	Confident	74	Confident	102 Å²	102	50.4 Å²	50.4	71%	0.713	30%	0.295	S	S	*	.	S	Bend	trans	-74.3	1.4	173.8	54.2	0	0	0	0	113.8	R254	S252-R254 WeakPolarHBondContact O-CG 3.36Å; S252-R254 PolarHBondContact O-N 3.18Å; S252-R254 VanDerWaalsContact O-N 3.16Å
253	I	77.8	Confident	73.4	Confident	33 Å²	33	55.9 Å²	55.9	17%	0.169	32%	0.317	C	S	.	.			trans	-67.5	112.8	-178.7	-64.4	166.5	0	0	0	109.1	V17 L248 S251 E255 M256	V17-I253 HydrophobicContact CG1-CD1 4.44Å; V17-I253 HydrophobicContact CG2-CD1 4.02Å; L248-I253 HydrophobicContact CD1-CD1 4.11Å; L248-I253 HydrophobicContact CD2-CD1 3.85Å; L248-I253 HydrophobicContact CG-CD1 4.43Å; S251-I253 PolarHBondContact O-N 2.84Å; S251-I253 PolarHBondContact OG-N 3.27Å; I253-E255 WeakPolarHBondContact CG2-O 3.49Å; I253-M256 HydrophobicContact CG2-CG 3.56Å; I253-M256 HydrophobicContact CG2-SD 4.02Å
254	R	82.1	Confident	72.8	Confident	101 Å²	101	52.1 Å²	52.1	38%	0.381	30%	0.298	S	S	.	.			trans	-104.1	-51.3	-177.8	-63	147.9	-170	-162.3	-2.8	110.6	D158 S160 W163 S252 A308	D158-R254 PolarHBondContact O-NH1 2.94Å; S160-R254 VanDerWaalsContact N-NH1 3.15Å; S160-R254 PolarHBondContact OG-NE 3.43Å; S160-R254 PolarHBondContact OG-NH2 2.93Å; W163-R254 HydrophobicContact CB-CB 3.87Å; W163-R254 HydrophobicContact CG-CB 3.79Å; S252-R254 WeakPolarHBondContact O-CG 3.36Å; S252-R254 PolarHBondContact O-N 3.18Å; S252-R254 VanDerWaalsContact O-N 3.16Å; R254-A308 PolarHBondContact O-N 3.35Å
255	E	84.4	Confident	72.6	Confident	45 Å²	45	50.9 Å²	50.9	21%	0.21	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	145.8	175.8	179.3	174	-156.9	0	0	110.4	R150 W163 I253 N258	R150-E255 IonicContact CZ-OE1 3.5Å; R150-E255 IonicContact CZ-OE2 3.6Å; R150-E255 IonicContact NH1-OE1 3.63Å; R150-E255 PolarHBondContact NH1-OE1 3.43Å; R150-E255 IonicContact NH1-OE2 2.63Å; R150-E255 PolarHBondContact NH1-OE2 3.12Å; R150-E255 IonicContact NH2-OE2 2.83Å; W163-E255 HydrophobicContact CD2-CB 4.07Å; W163-E255 HydrophobicContact CE3-CB 4.15Å; W163-E255 HydrophobicContact CH2-CB 3.79Å; W163-E255 HydrophobicContact CH2-CG 3.5Å; W163-E255 VanDerWaalsContact CH2-CG 3.5Å; W163-E255 WeakPolarHBondContact CH2-OE1 3.43Å; W163-E255 HydrophobicContact CZ2-CB 3.71Å; W163-E255 VanDerWaalsContact CZ2-CD 3.47Å; W163-E255 HydrophobicContact CZ2-CG 3.83Å; W163-E255 HydrophobicContact CZ3-CB 4.01Å; W163-E255 HydrophobicContact CZ3-CG 3.88Å; I253-E255 WeakPolarHBondContact CG2-O 3.49Å; E255-N258 HydrophobicContact CG-CB 4.28Å; E255-N258 WeakPolarHBondContact OE1-CB 3.36Å; E255-N258 PolarHBondContact OE1-ND2 3.39Å
256	M	82.2	Confident	72.5	Confident	19 Å²	19	56.9 Å²	56.9	9%	0.094	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	150.9	176.4	-59.7	-173.1	65.4	0	0	110.7	F245 L248 I253 G305 V306 A308	F245-M256 HydrophobicContact CD1-CE 4.08Å; F245-M256 HydrophobicContact CD1-SD 4.16Å; F245-M256 HydrophobicContact CE1-CE 3.16Å; F245-M256 HydrophobicContact CE1-SD 3.4Å; F245-M256 WeakPolarHBondContact CE1-SD 3.09Å; F245-M256 HydrophobicContact CZ-CE 3.44Å; F245-M256 VanDerWaalsContact CZ-CE 3.44Å; F245-M256 HydrophobicContact CZ-SD 4.22Å; L248-M256 HydrophobicContact CD1-CE 3.85Å; I253-M256 HydrophobicContact CG2-CG 3.56Å; I253-M256 HydrophobicContact CG2-SD 4.02Å; M256-G305 CarbonylContact O-C 3.59Å; M256-G305 WeakPolarHBondContact O-CA 3.48Å; M256-V306 HydrophobicContact CB-CG2 4.35Å; M256-V306 PolarHBondContact N-O 3.38Å; M256-V306 PolarHBondContact O-N 3.35Å; M256-A308 HydrophobicContact CG-CB 4.16Å; M256-A308 HydrophobicContact SD-CB 3.78Å
257	F	80.9	Confident	72	Confident	56 Å²	56	59.6 Å²	59.6	25%	0.246	33%	0.328	C	S	.	.			trans	63.3	40.2	174.4	-49.5	-81.7	0	0	0	115.3	V112 F245 P303 G305 V306	V112-F257 HydrophobicContact CG1-CB 3.81Å; V112-F257 HydrophobicContact CG1-CD2 4.27Å; V112-F257 HydrophobicContact CG1-CG 4Å; V112-F257 HydrophobicContact CG2-CD2 4.01Å; V112-F257 HydrophobicContact CG2-CE2 4.25Å; F245-F257 HydrophobicContact CZ-CE2 4.07Å; F245-F257 AromaticContact CZ-CZ 3.99Å; F245-F257 HydrophobicContact CZ-CZ 3.99Å; F257-P303 HydrophobicContact CB-CB 3.57Å; F257-P303 HydrophobicContact CB-CG 3.85Å; F257-P303 HydrophobicContact CG-CB 4.47Å; F257-P303 WeakPolarHBondContact O-CB 3.27Å; F257-P303 WeakPolarHBondContact O-CG 3.44Å; F257-G305 WeakPolarHBondContact O-CA 3.43Å; F257-G305 PolarHBondContact O-N 3.2Å; F257-V306 HydrophobicContact CD2-CG2 3.85Å; F257-V306 HydrophobicContact CE2-CG2 4.46Å
258	N	68.1	Low	72.2	Confident	67 Å²	67	58.5 Å²	58.5	36%	0.358	32%	0.317	S	S	.	.	S	Bend	trans	-86.7	-16	-179.4	-162.4	21.7	0	0	0	114.9	E255 R262	E255-N258 HydrophobicContact CG-CB 4.28Å; E255-N258 WeakPolarHBondContact OE1-CB 3.36Å; E255-N258 PolarHBondContact OE1-ND2 3.39Å; N258-R262 PolarHBondContact O-NH2 3.2Å
259	G	69	Low	72.6	Confident	24 Å²	24	63.8 Å²	63.8	25%	0.247	34%	0.342	C	S	.	.	S	Bend	trans	-177.6	-36.6	179.1	0	0	0	0	0	115.5	F261 R262	G259-F261 PolarHBondContact O-N 3.5Å; G259-R262 WeakPolarHBondContact O-CA 3.31Å; G259-R262 VanDerWaalsContact O-CB 3.26Å; G259-R262 WeakPolarHBondContact O-CB 3.43Å; G259-R262 WeakPolarHBondContact O-CG 3.38Å; G259-R262 PolarHBondContact O-N 3.06Å
260	E	66	Low	73.4	Confident	25 Å²	25	65.1 Å²	65.1	12%	0.117	34%	0.342	C	S	.	.	H	α-helix	trans	-49.6	-38.9	-171.7	-57	-67.8	-165.3	0	0	115.9	C16 I19 S20 Q23 R262 F263 L264	C16-E260 HydrophobicContact CB-CB 4.39Å; I19-E260 VanDerWaalsContact C-OE1 3.23Å; I19-E260 WeakPolarHBondContact CB-OE2 3.46Å; I19-E260 VanDerWaalsContact CG2-CD 3.45Å; I19-E260 WeakPolarHBondContact CG2-OE1 3.35Å; I19-E260 WeakPolarHBondContact CG2-OE2 3.45Å; S20-E260 WeakPolarHBondContact CA-OE1 3.39Å; S20-E260 PolarHBondContact N-OE1 3.2Å; Q23-E260 PolarHBondContact OE1-OE1 3.43Å; E260-R262 VanDerWaalsContact C-N 3.25Å; E260-R262 PolarHBondContact O-N 3Å; E260-F263 PolarHBondContact O-N 2.86Å; E260-L264 PolarHBondContact O-N 3.27Å
261	F	68.2	Low	74.2	Confident	27 Å²	27	63.2 Å²	63.2	12%	0.118	32%	0.315	C	S	.	.	H	α-helix	trans	-63.5	-33.6	178.6	-172.3	-98.6	0	0	0	111.7	G259 C265 C275 V279 L299 P303	G259-F261 PolarHBondContact O-N 3.5Å; F261-C265 WeakPolarHBondContact CE1-SG 3.24Å; F261-C265 VanDerWaalsContact CZ-SG 3.56Å; F261-C265 PolarHBondContact O-N 3.43Å; F261-C265 PolarHBondContact O-SG 3.03Å; F261-C275 HydrophobicContact CZ-CB 4.24Å; F261-V279 HydrophobicContact CE1-CG2 4.12Å; F261-V279 HydrophobicContact CZ-CG2 3.7Å; F261-L299 HydrophobicContact CD1-CD2 4.3Å; F261-L299 HydrophobicContact CE1-CD2 4.22Å; F261-P303 HydrophobicContact CB-CG 4Å
262	R	69.9	Low	75.1	Confident	47 Å²	47	63 Å²	63	18%	0.177	31%	0.309	C	S	.	.	H	α-helix	trans	-66.8	-45.4	-178.9	-54.1	177.1	-161.6	132.1	20.4	111.3	N258 G259 E260 C265 R266 L299 P303	N258-R262 PolarHBondContact O-NH2 3.2Å; G259-R262 WeakPolarHBondContact O-CA 3.31Å; G259-R262 VanDerWaalsContact O-CB 3.26Å; G259-R262 WeakPolarHBondContact O-CB 3.43Å; G259-R262 WeakPolarHBondContact O-CG 3.38Å; G259-R262 PolarHBondContact O-N 3.06Å; E260-R262 VanDerWaalsContact C-N 3.25Å; E260-R262 PolarHBondContact O-N 3Å; R262-C265 PolarHBondContact O-N 2.98Å; R262-R266 WeakPolarHBondContact O-CG 3.32Å; R262-R266 PolarHBondContact O-N 2.92Å; R262-L299 WeakPolarHBondContact CD-O 3.42Å; R262-L299 WeakPolarHBondContact CG-O 3.41Å; R262-L299 PolarHBondContact NE-O 3.47Å; R262-P303 PolarHBondContact NE-O 3.35Å; R262-P303 PolarHBondContact NH2-O 3.17Å
263	F	65.7	Low	75.7	Confident	128 Å²	128	65 Å²	65	56%	0.561	30%	0.302	S	S	*	.	H	α-helix	trans	-58.1	-52.6	-178.9	-178.7	-97.1	0	0	0	110.8	E260 C265 R266 M267	E260-F263 PolarHBondContact O-N 2.86Å; F263-C265 PolarHBondContact O-N 2.82Å; F263-C265 VanDerWaalsContact O-N 3.17Å; F263-R266 PolarHBondContact O-N 2.93Å; F263-M267 HydrophobicContact CE1-SD 4.24Å; F263-M267 WeakPolarHBondContact O-CG 3.5Å
264	L	68.8	Low	76	Confident	22 Å²	22	66.2 Å²	66.2	12%	0.115	31%	0.308	C	S	.	.	H	α-helix	trans	-59	-31.7	179.4	-74	171.5	0	0	0	113.8	L12 L15 I19 E260 M267 T271	L12-L264 HydrophobicContact CD2-CD1 4.41Å; L15-L264 HydrophobicContact CB-CD1 4Å; I19-L264 HydrophobicContact CD1-CD1 3.96Å; I19-L264 HydrophobicContact CD1-CD2 4.04Å; I19-L264 HydrophobicContact CD1-CG 3.95Å; E260-L264 PolarHBondContact O-N 3.27Å; L264-M267 HydrophobicContact CD2-SD 4.48Å; L264-T271 WeakPolarHBondContact O-CB 3.36Å
265	C	75.1	Confident	76.1	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.014	29%	0.29	C	S	.	.	H	α-helix	trans	-86.9	-9.1	-175.8	-58	0	0	0	0	114.4	F261 R262 F263 E272 C275 F295 L299	F261-C265 WeakPolarHBondContact CE1-SG 3.24Å; F261-C265 VanDerWaalsContact CZ-SG 3.56Å; F261-C265 PolarHBondContact O-N 3.43Å; F261-C265 PolarHBondContact O-SG 3.03Å; R262-C265 PolarHBondContact O-N 2.98Å; F263-C265 PolarHBondContact O-N 2.82Å; F263-C265 VanDerWaalsContact O-N 3.17Å; C265-E272 WeakPolarHBondContact O-CA 3.4Å; C265-C275 WeakPolarHBondContact CA-SG 3.2Å; C265-C275 HydrophobicContact CB-CB 3.59Å; C265-C275 WeakPolarHBondContact CB-SG 3.32Å; C265-C275 WeakPolarHBondContact SG-CB 3.37Å; C265-C275 CovalentContact SG-SG 2.02Å; C265-C275 PolarHBondContact SG-SG 3.17Å; C265-F295 HydrophobicContact CB-CE1 4.37Å; C265-F295 HydrophobicContact CB-CZ 4.43Å; C265-L299 HydrophobicContact CB-CD1 3.59Å; C265-L299 HydrophobicContact CB-CD2 3.99Å; C265-L299 HydrophobicContact CB-CG 4.46Å
266	R	73.3	Confident	76.2	Confident	134 Å²	134	59.4 Å²	59.4	51%	0.506	28%	0.281	S	S	.	.	H	α-helix	trans	-96.8	-11.1	-179.2	-74	178.3	177.1	-172	-4.6	114	R262 F263 T268 L299	R262-R266 WeakPolarHBondContact O-CG 3.32Å; R262-R266 PolarHBondContact O-N 2.92Å; F263-R266 PolarHBondContact O-N 2.93Å; R266-T268 PolarHBondContact O-N 3.5Å; R266-L299 HydrophobicContact CG-CD1 4.05Å
267	M	64.4	Low	76.4	Confident	113 Å²	113	60 Å²	60	56%	0.557	28%	0.283	S	S	*	.	S	Bend	trans	-68.3	-40.7	-166.5	-60.1	-177.3	70.3	0	0	114.7	F263 L264 T271	F263-M267 HydrophobicContact CE1-SD 4.24Å; F263-M267 WeakPolarHBondContact O-CG 3.5Å; L264-M267 HydrophobicContact CD2-SD 4.48Å; M267-T271 HydrophobicContact CB-CG2 4.35Å
268	T	76.1	Confident	76.4	Confident	63 Å²	63	57.7 Å²	57.7	39%	0.387	27%	0.274	S	S	.	.			trans	-154.6	163.2	-177.1	82.5	0	0	0	0	110.8	R266 E270 T271 E272	R266-T268 PolarHBondContact O-N 3.5Å; T268-E270 WeakPolarHBondContact CB-OE2 3.4Å; T268-E270 PolarHBondContact O-N 2.63Å; T268-E270 PolarHBondContact OG1-N 3.22Å; T268-E270 PolarHBondContact OG1-OE2 3.39Å; T268-T271 PolarHBondContact N-OG1 3.34Å; T268-T271 PolarHBondContact O-N 3.47Å; T268-T271 PolarHBondContact O-OG1 2.99Å; T268-T271 PolarHBondContact OG1-N 2.94Å; T268-T271 PolarHBondContact OG1-OG1 2.99Å; T268-E272 WeakPolarHBondContact O-CB 3.32Å; T268-E272 PolarHBondContact O-N 3.01Å
269	E	81.4	Confident	77.1	Confident	124 Å²	124	55.7 Å²	55.7	58%	0.579	27%	0.265	S	S	*	.	H	α-helix	trans	-59.9	-33.9	173.9	-165.9	-177.5	179.3	0	0	112.2	E272 R273 R292	E269-E272 WeakPolarHBondContact O-CB 3.48Å; E269-R273 WeakPolarHBondContact O-CB 3.39Å; E269-R273 PolarHBondContact O-N 2.75Å; E269-R292 IonicContact OE1-CZ 2.75Å; E269-R292 IonicContact OE1-NH1 3.66Å; E269-R292 PolarHBondContact OE1-NH1 3.09Å; E269-R292 IonicContact OE1-NH2 3.87Å; E269-R292 PolarHBondContact OE1-NH2 3.3Å
270	E	82.1	Confident	77.8	Confident	117 Å²	117	55 Å²	55	55%	0.547	25%	0.254	S	S	.	.	H	α-helix	trans	-67.9	-43.4	175.6	-61.6	77.8	-171.1	0	0	112.4	T268 E272 R273 L274	T268-E270 WeakPolarHBondContact CB-OE2 3.4Å; T268-E270 PolarHBondContact O-N 2.63Å; T268-E270 PolarHBondContact OG1-N 3.22Å; T268-E270 PolarHBondContact OG1-OE2 3.39Å; E270-E272 VanDerWaalsContact C-N 3.35Å; E270-R273 PolarHBondContact O-N 3.45Å; E270-L274 WeakPolarHBondContact O-CB 3.37Å; E270-L274 VanDerWaalsContact O-CG 3.24Å; E270-L274 WeakPolarHBondContact O-CG 3.45Å; E270-L274 PolarHBondContact O-N 3.46Å
271	T	81.9	Confident	78.6	Confident	38 Å²	38	54 Å²	54	23%	0.233	25%	0.251	C	S	.	.	H	α-helix	trans	-67.2	-38.8	177.6	58.7	0	0	0	0	111	L264 M267 T268 R273 L274 C275	L264-T271 WeakPolarHBondContact O-CB 3.36Å; M267-T271 HydrophobicContact CB-CG2 4.35Å; T268-T271 PolarHBondContact N-OG1 3.34Å; T268-T271 PolarHBondContact O-N 3.47Å; T268-T271 PolarHBondContact O-OG1 2.99Å; T268-T271 PolarHBondContact OG1-N 2.94Å; T268-T271 PolarHBondContact OG1-OG1 2.99Å; T271-R273 PolarHBondContact O-N 3.43Å; T271-L274 PolarHBondContact O-N 2.88Å; T271-C275 WeakPolarHBondContact O-CB 3.41Å; T271-C275 PolarHBondContact O-N 2.9Å
272	E	85.6	Confident	79.2	Confident	36 Å²	36	54.5 Å²	54.5	17%	0.168	26%	0.255	C	S	.	.	H	α-helix	trans	-53.5	-55.3	170	-171.6	-161.8	83.7	0	0	110.6	C265 T268 E269 E270 L274 C275 I276 R292 F295	C265-E272 WeakPolarHBondContact O-CA 3.4Å; T268-E272 WeakPolarHBondContact O-CB 3.32Å; T268-E272 PolarHBondContact O-N 3.01Å; E269-E272 WeakPolarHBondContact O-CB 3.48Å; E270-E272 VanDerWaalsContact C-N 3.35Å; E272-L274 VanDerWaalsContact C-N 3.32Å; E272-L274 PolarHBondContact O-N 3.37Å; E272-C275 WeakPolarHBondContact O-CB 3.37Å; E272-C275 PolarHBondContact O-N 3.43Å; E272-C275 VanDerWaalsContact O-N 3.15Å; E272-I276 HydrophobicContact CG-CD1 3.93Å; E272-I276 WeakPolarHBondContact O-CG1 3.37Å; E272-I276 PolarHBondContact O-N 3.45Å; E272-R292 IonicContact OE1-CZ 3.55Å; E272-R292 IonicContact OE1-NE 2.82Å; E272-R292 PolarHBondContact OE1-NE 3.03Å; E272-R292 IonicContact OE1-NH2 2.74Å; E272-R292 PolarHBondContact OE1-NH2 2.75Å; E272-F295 HydrophobicContact CB-CE1 4.49Å; E272-F295 HydrophobicContact CG-CD1 3.36Å; E272-F295 HydrophobicContact CG-CE1 3.43Å; E272-F295 VanDerWaalsContact CG-CE1 3.43Å
273	R	86	Confident	80.1	Confident	145 Å²	145	52.4 Å²	52.4	55%	0.547	25%	0.247	S	C	.	.	H	α-helix	trans	-61.3	-40.5	-178.9	-171.3	-179.9	69.2	166.3	-2.8	112	E269 E270 T271 C275 I276 E277 W287	E269-R273 WeakPolarHBondContact O-CB 3.39Å; E269-R273 PolarHBondContact O-N 2.75Å; E270-R273 PolarHBondContact O-N 3.45Å; T271-R273 PolarHBondContact O-N 3.43Å; R273-C275 VanDerWaalsContact C-N 3.34Å; R273-I276 PolarHBondContact O-N 2.89Å; R273-E277 WeakPolarHBondContact O-CB 3.32Å; R273-E277 WeakPolarHBondContact O-CG 3.29Å; R273-E277 PolarHBondContact O-N 2.75Å; R273-W287 HydrophobicContact CG-CH2 4.09Å; R273-W287 HydrophobicContact CG-CZ2 4.04Å
274	L	84.9	Confident	81.2	Confident	58 Å²	58	46.3 Å²	46.3	30%	0.304	22%	0.221	S	C	.	.	H	α-helix	trans	-64.6	-39.6	176.6	-74.5	171.8	0	0	0	111.8	Q8 E270 T271 E272 E277 A278	Q8-L274 HydrophobicContact CG-CD2 4.44Å; Q8-L274 VanDerWaalsContact NE2-CD2 3.32Å; E270-L274 WeakPolarHBondContact O-CB 3.37Å; E270-L274 VanDerWaalsContact O-CG 3.24Å; E270-L274 WeakPolarHBondContact O-CG 3.45Å; E270-L274 PolarHBondContact O-N 3.46Å; T271-L274 PolarHBondContact O-N 2.88Å; E272-L274 VanDerWaalsContact C-N 3.32Å; E272-L274 PolarHBondContact O-N 3.37Å; L274-E277 PolarHBondContact O-N 3.29Å; L274-A278 VanDerWaalsContact O-CB 3.31Å; L274-A278 WeakPolarHBondContact O-CB 3.29Å; L274-A278 PolarHBondContact O-N 3.39Å
275	C	84.6	Confident	82.3	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.007	24%	0.236	C	C	.	.	H	α-helix	trans	-63.3	-46.8	174.2	-85.1	0	0	0	0	112.5	F261 C265 T271 E272 R273 E277 A278 V279 F295	F261-C275 HydrophobicContact CZ-CB 4.24Å; C265-C275 WeakPolarHBondContact CA-SG 3.2Å; C265-C275 HydrophobicContact CB-CB 3.59Å; C265-C275 WeakPolarHBondContact CB-SG 3.32Å; C265-C275 WeakPolarHBondContact SG-CB 3.37Å; C265-C275 CovalentContact SG-SG 2.02Å; C265-C275 PolarHBondContact SG-SG 3.17Å; T271-C275 WeakPolarHBondContact O-CB 3.41Å; T271-C275 PolarHBondContact O-N 2.9Å; E272-C275 WeakPolarHBondContact O-CB 3.37Å; E272-C275 PolarHBondContact O-N 3.43Å; E272-C275 VanDerWaalsContact O-N 3.15Å; R273-C275 VanDerWaalsContact C-N 3.34Å; C275-E277 VanDerWaalsContact C-N 3.31Å; C275-E277 PolarHBondContact O-N 2.87Å; C275-A278 WeakPolarHBondContact O-CB 3.13Å; C275-A278 PolarHBondContact O-N 3.18Å; C275-A278 VanDerWaalsContact O-N 3.16Å; C275-V279 WeakPolarHBondContact O-CG2 3.23Å; C275-V279 PolarHBondContact O-N 3Å; C275-F295 HydrophobicContact CB-CZ 4.36Å
276	I	86.2	Confident	83.2	Confident	2 Å²	2	51 Å²	51	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-60.6	-44.4	177	-64.4	162	0	0	0	110	E272 R273 A278 V279 F280 W287 F290 F295	E272-I276 HydrophobicContact CG-CD1 3.93Å; E272-I276 WeakPolarHBondContact O-CG1 3.37Å; E272-I276 PolarHBondContact O-N 3.45Å; R273-I276 PolarHBondContact O-N 2.89Å; I276-A278 VanDerWaalsContact C-N 3.32Å; I276-A278 PolarHBondContact O-N 2.99Å; I276-V279 PolarHBondContact O-N 3.3Å; I276-F280 HydrophobicContact CG2-CD2 3.86Å; I276-F280 HydrophobicContact CG2-CE1 4.29Å; I276-F280 HydrophobicContact CG2-CE2 3.51Å; I276-F280 HydrophobicContact CG2-CG 4.41Å; I276-F280 HydrophobicContact CG2-CZ 3.74Å; I276-F280 WeakPolarHBondContact O-CB 3.26Å; I276-F280 WeakPolarHBondContact O-CG 3.01Å; I276-F280 PolarHBondContact O-N 2.93Å; I276-W287 HydrophobicContact CB-CH2 3.76Å; I276-W287 HydrophobicContact CB-CZ2 4.18Å; I276-W287 HydrophobicContact CB-CZ3 4.48Å; I276-W287 HydrophobicContact CD1-CH2 3.75Å; I276-W287 HydrophobicContact CD1-CZ3 3.99Å; I276-W287 HydrophobicContact CG1-CH2 4.37Å; I276-W287 HydrophobicContact CG2-CE3 4.47Å; I276-W287 HydrophobicContact CG2-CH2 3.42Å; I276-W287 VanDerWaalsContact CG2-CH2 3.42Å; I276-W287 HydrophobicContact CG2-CZ2 3.73Å; I276-W287 HydrophobicContact CG2-CZ3 3.83Å; I276-F290 HydrophobicContact CD1-CD1 4.38Å; I276-F290 HydrophobicContact CD1-CE1 3.55Å; I276-F290 HydrophobicContact CD1-CZ 4.16Å; I276-F290 HydrophobicContact CG1-CE1 3.83Å; I276-F290 HydrophobicContact CG1-CZ 3.95Å; I276-F290 HydrophobicContact CG2-CD1 4.19Å; I276-F290 HydrophobicContact CG2-CE1 3.99Å; I276-F290 HydrophobicContact CG2-CZ 4.21Å; I276-F295 HydrophobicContact CD1-CD1 3.94Å; I276-F295 HydrophobicContact CD1-CE1 3.99Å; I276-F295 HydrophobicContact CD1-CG 4.26Å; I276-F295 HydrophobicContact CD1-CZ 4.35Å; I276-F295 HydrophobicContact CG1-CD1 4.08Å; I276-F295 HydrophobicContact CG1-CD2 4.3Å; I276-F295 HydrophobicContact CG1-CE1 3.69Å; I276-F295 HydrophobicContact CG1-CE2 3.92Å; I276-F295 HydrophobicContact CG1-CG 4.34Å; I276-F295 HydrophobicContact CG1-CZ 3.58Å
277	E	85.9	Confident	84	Confident	31 Å²	31	48.2 Å²	48.2	15%	0.145	23%	0.226	C	C	.	.	H	α-helix	trans	-63.5	-35.3	175.8	-77.2	-68.6	175	0	0	113.2	L5 R273 L274 C275 F280 G281 R285 W287	L5-E277 HydrophobicContact CD2-CB 4.14Å; R273-E277 WeakPolarHBondContact O-CB 3.32Å; R273-E277 WeakPolarHBondContact O-CG 3.29Å; R273-E277 PolarHBondContact O-N 2.75Å; L274-E277 PolarHBondContact O-N 3.29Å; C275-E277 VanDerWaalsContact C-N 3.31Å; C275-E277 PolarHBondContact O-N 2.87Å; E277-F280 PolarHBondContact O-N 3.36Å; E277-G281 PolarHBondContact O-N 3.05Å; E277-R285 IonicContact OE1-CZ 2.81Å; E277-R285 IonicContact OE1-NE 3.83Å; E277-R285 IonicContact OE1-NH2 3.33Å; E277-R285 IonicContact OE2-CZ 2.7Å; E277-R285 IonicContact OE2-NE 2.66Å; E277-R285 PolarHBondContact OE2-NE 2.94Å; E277-R285 IonicContact OE2-NH2 2.76Å; E277-R285 PolarHBondContact OE2-NH2 3.05Å; E277-W287 HydrophobicContact CG-CZ2 4.14Å; E277-W287 PolarHBondContact OE1-NE1 3.09Å
278	A	80.4	Confident	85.4	Confident	7 Å²	7	49.1 Å²	49.1	6%	0.058	23%	0.233	C	C	.	.	H	α-helix	trans	-65.4	-43.9	174.4	0	0	0	0	0	111.5	L9 L12 L274 C275 I276 G281	L9-A278 HydrophobicContact CD1-CB 3.68Å; L12-A278 HydrophobicContact CD1-CB 3.52Å; L274-A278 VanDerWaalsContact O-CB 3.31Å; L274-A278 WeakPolarHBondContact O-CB 3.29Å; L274-A278 PolarHBondContact O-N 3.39Å; C275-A278 WeakPolarHBondContact O-CB 3.13Å; C275-A278 PolarHBondContact O-N 3.18Å; C275-A278 VanDerWaalsContact O-N 3.16Å; I276-A278 VanDerWaalsContact C-N 3.32Å; I276-A278 PolarHBondContact O-N 2.99Å; A278-G281 PolarHBondContact O-N 2.81Å
279	V	83	Confident	86.3	Confident	26 Å²	26	46.7 Å²	46.7	16%	0.158	22%	0.218	C	C	.	.	H	α-helix	trans	-62.5	-46.8	173	174.9	0	0	0	0	110.3	F261 C275 I276 G281 I282 V283	F261-V279 HydrophobicContact CE1-CG2 4.12Å; F261-V279 HydrophobicContact CZ-CG2 3.7Å; C275-V279 WeakPolarHBondContact O-CG2 3.23Å; C275-V279 PolarHBondContact O-N 3Å; I276-V279 PolarHBondContact O-N 3.3Å; V279-G281 PolarHBondContact O-N 3.01Å; V279-I282 WeakPolarHBondContact O-CG1 3.49Å; V279-I282 PolarHBondContact O-N 3.47Å; V279-V283 HydrophobicContact CG1-CG1 4.11Å; V279-V283 HydrophobicContact CG1-CG2 3.93Å; V279-V283 WeakPolarHBondContact O-CG2 3.41Å; V279-V283 PolarHBondContact O-N 2.9Å
280	F	85.3	Confident	86.8	Confident	8 Å²	8	42 Å²	42	4%	0.035	20%	0.195	C	C	.	.	H	α-helix	trans	-59.6	-28.1	175.1	-75.3	-16.7	0	0	0	114	I276 E277 I282 V283 G284 R285 W287 F290	I276-F280 HydrophobicContact CG2-CD2 3.86Å; I276-F280 HydrophobicContact CG2-CE1 4.29Å; I276-F280 HydrophobicContact CG2-CE2 3.51Å; I276-F280 HydrophobicContact CG2-CG 4.41Å; I276-F280 HydrophobicContact CG2-CZ 3.74Å; I276-F280 WeakPolarHBondContact O-CB 3.26Å; I276-F280 WeakPolarHBondContact O-CG 3.01Å; I276-F280 PolarHBondContact O-N 2.93Å; E277-F280 PolarHBondContact O-N 3.36Å; F280-I282 PolarHBondContact O-N 2.91Å; F280-V283 HydrophobicContact CD1-CG2 4.18Å; F280-G284 VanDerWaalsContact CD1-O 3.29Å; F280-G284 WeakPolarHBondContact CD1-O 3.39Å; F280-G284 CarbonylContact O-C 3.45Å; F280-G284 WeakPolarHBondContact O-CA 3.46Å; F280-G284 PolarHBondContact O-N 2.84Å; F280-G284 VanDerWaalsContact O-N 3.09Å; F280-R285 HydrophobicContact CB-CB 4.01Å; F280-R285 HydrophobicContact CB-CG 4.31Å; F280-R285 HydrophobicContact CD2-CB 4.29Å; F280-R285 HydrophobicContact CD2-CG 3.76Å; F280-R285 HydrophobicContact CE2-CG 4.32Å; F280-R285 HydrophobicContact CG-CB 4.24Å; F280-R285 HydrophobicContact CG-CG 4.22Å; F280-W287 AromaticContact CD2-NE1 3.9Å; F280-W287 AromaticContact CE2-CD1 3.8Å; F280-W287 AromaticContact CE2-CD2 3.64Å; F280-W287 HydrophobicContact CE2-CD2 3.64Å; F280-W287 AromaticContact CE2-CE2 3.62Å; F280-W287 HydrophobicContact CE2-CE3 4.2Å; F280-W287 AromaticContact CE2-CG 3.78Å; F280-W287 HydrophobicContact CE2-CG 3.78Å; F280-W287 HydrophobicContact CE2-CZ2 4.18Å; F280-W287 AromaticContact CE2-NE1 3.69Å; F280-W287 HydrophobicContact CZ-CD2 4.46Å; F280-F290 HydrophobicContact CE1-CB 4.44Å; F280-F290 HydrophobicContact CE1-CD2 4.16Å; F280-F290 HydrophobicContact CE1-CG 4.41Å; F280-F290 HydrophobicContact CZ-CB 3.76Å; F280-F290 HydrophobicContact CZ-CD2 4.1Å; F280-F290 AromaticContact CZ-CG 3.89Å; F280-F290 HydrophobicContact CZ-CG 3.89Å
281	G	81.8	Confident	87.2	Confident	5 Å²	5	38.8 Å²	38.8	5%	0.052	18%	0.182	C	C	.	.	H	α-helix	trans	-61.1	-22.7	172.3	0	0	0	0	0	113.8	H235 Y237 E277 A278 V279	H235-G281 PolarHBondContact CE1-O 2.82Å; Y237-G281 WeakPolarHBondContact CB-O 3.45Å; Y237-G281 WeakPolarHBondContact CD2-O 3.25Å; E277-G281 PolarHBondContact O-N 3.05Å; A278-G281 PolarHBondContact O-N 2.81Å; V279-G281 PolarHBondContact O-N 3.01Å
282	I	81.4	Confident	87.5	Confident	38 Å²	38	41.4 Å²	41.4	20%	0.195	19%	0.188	C	C	.	.	H	α-helix	trans	-113.3	-31.5	-176.7	60.6	166	0	0	0	113.4	L9 I241 V279 F280 L363 L364	L9-I282 HydrophobicContact CD2-CG2 3.95Å; I241-I282 HydrophobicContact CD1-CB 4.36Å; I241-I282 HydrophobicContact CD1-CG2 3.27Å; V279-I282 WeakPolarHBondContact O-CG1 3.49Å; V279-I282 PolarHBondContact O-N 3.47Å; F280-I282 PolarHBondContact O-N 2.91Å; I282-L363 WeakPolarHBondContact O-CB 3.44Å; I282-L364 WeakPolarHBondContact O-CG 3.42Å
283	V	88.2	Confident	87.7	Confident	3 Å²	3	45.1 Å²	45.1	2%	0.018	20%	0.203	C	C	.	.	H	α-helix	trans	-97.9	-19.3	-177.2	-53.7	0	0	0	0	113.5	V279 F280 L364 N392 H393 M394	V279-V283 HydrophobicContact CG1-CG1 4.11Å; V279-V283 HydrophobicContact CG1-CG2 3.93Å; V279-V283 WeakPolarHBondContact O-CG2 3.41Å; V279-V283 PolarHBondContact O-N 2.9Å; F280-V283 HydrophobicContact CD1-CG2 4.18Å; V283-L364 HydrophobicContact CG1-CD1 4.4Å; V283-N392 WeakPolarHBondContact O-CB 3.34Å; V283-H393 HydrophobicContact CB-CB 3.91Å; V283-H393 WeakPolarHBondContact O-CB 3.32Å; V283-H393 PolarHBondContact O-N 2.58Å; V283-M394 HydrophobicContact CB-CG 3.89Å; V283-M394 HydrophobicContact CG1-CG 3.7Å; V283-M394 HydrophobicContact CG1-SD 4.3Å; V283-M394 HydrophobicContact CG2-CG 3.96Å
284	G	89.1	Confident	87.9	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.183	C	C	.	.			trans	109.1	137.1	-170.8	0	0	0	0	0	111.4	F280 N361 N392	F280-G284 VanDerWaalsContact CD1-O 3.29Å; F280-G284 WeakPolarHBondContact CD1-O 3.39Å; F280-G284 CarbonylContact O-C 3.45Å; F280-G284 WeakPolarHBondContact O-CA 3.46Å; F280-G284 PolarHBondContact O-N 2.84Å; F280-G284 VanDerWaalsContact O-N 3.09Å; G284-N361 WeakPolarHBondContact CA-O 3.47Å; G284-N392 WeakPolarHBondContact O-CB 2.86Å; G284-N392 PolarHBondContact O-ND2 3.27Å
285	R	91.2	Very high	88.1	Confident	117 Å²	117	37.1 Å²	37.1	44%	0.442	17%	0.171	S	C	.	.			trans	-81.6	123.6	-178.1	-177.7	-179.3	-72.9	167	0.5	110.9	E277 F280 N361	E277-R285 IonicContact OE1-CZ 2.81Å; E277-R285 IonicContact OE1-NE 3.83Å; E277-R285 IonicContact OE1-NH2 3.33Å; E277-R285 IonicContact OE2-CZ 2.7Å; E277-R285 IonicContact OE2-NE 2.66Å; E277-R285 PolarHBondContact OE2-NE 2.94Å; E277-R285 IonicContact OE2-NH2 2.76Å; E277-R285 PolarHBondContact OE2-NH2 3.05Å; F280-R285 HydrophobicContact CB-CB 4.01Å; F280-R285 HydrophobicContact CB-CG 4.31Å; F280-R285 HydrophobicContact CD2-CB 4.29Å; F280-R285 HydrophobicContact CD2-CG 3.76Å; F280-R285 HydrophobicContact CE2-CG 4.32Å; F280-R285 HydrophobicContact CG-CB 4.24Å; F280-R285 HydrophobicContact CG-CG 4.22Å; R285-N361 PolarHBondContact O-ND2 3.11Å
286	N	93.7	Very high	88.3	Confident	4 Å²	4	39.2 Å²	39.2	2%	0.021	18%	0.184	C	C	.	.			trans	-150	81	171	-166.5	-1.1	0	0	0	112.1	N288 E289 F290 Q388 E390 N392 D395	N286-N288 PolarHBondContact O-N 3.05Å; N286-N288 PolarHBondContact OD1-N 3.21Å; N286-E289 WeakPolarHBondContact ND2-CB 3.4Å; N286-E289 WeakPolarHBondContact ND2-CG 3.44Å; N286-E289 PolarHBondContact OD1-N 3.05Å; N286-F290 WeakPolarHBondContact O-CB 3.16Å; N286-F290 PolarHBondContact O-N 3.35Å; N286-Q388 PolarHBondContact ND2-OE1 2.8Å; N286-E390 HydrophobicContact CB-CB 4.4Å; N286-E390 WeakPolarHBondContact CB-O 3.3Å; N286-E390 PolarHBondContact ND2-O 3.09Å; N286-N392 WeakPolarHBondContact CB-ND2 3.44Å; N286-D395 WeakPolarHBondContact CB-OD2 3.48Å; N286-D395 PolarHBondContact ND2-OD2 3.4Å
287	W	91.4	Very high	88.6	Confident	77 Å²	77	39.1 Å²	39.1	29%	0.292	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-26	178.1	-82.3	107.4	0	0	0	113.6	R273 I276 E277 F280 E289 F290 R292	R273-W287 HydrophobicContact CG-CH2 4.09Å; R273-W287 HydrophobicContact CG-CZ2 4.04Å; I276-W287 HydrophobicContact CB-CH2 3.76Å; I276-W287 HydrophobicContact CB-CZ2 4.18Å; I276-W287 HydrophobicContact CB-CZ3 4.48Å; I276-W287 HydrophobicContact CD1-CH2 3.75Å; I276-W287 HydrophobicContact CD1-CZ3 3.99Å; I276-W287 HydrophobicContact CG1-CH2 4.37Å; I276-W287 HydrophobicContact CG2-CE3 4.47Å; I276-W287 HydrophobicContact CG2-CH2 3.42Å; I276-W287 VanDerWaalsContact CG2-CH2 3.42Å; I276-W287 HydrophobicContact CG2-CZ2 3.73Å; I276-W287 HydrophobicContact CG2-CZ3 3.83Å; E277-W287 HydrophobicContact CG-CZ2 4.14Å; E277-W287 PolarHBondContact OE1-NE1 3.09Å; F280-W287 AromaticContact CD2-NE1 3.9Å; F280-W287 AromaticContact CE2-CD1 3.8Å; F280-W287 AromaticContact CE2-CD2 3.64Å; F280-W287 HydrophobicContact CE2-CD2 3.64Å; F280-W287 AromaticContact CE2-CE2 3.62Å; F280-W287 HydrophobicContact CE2-CE3 4.2Å; F280-W287 AromaticContact CE2-CG 3.78Å; F280-W287 HydrophobicContact CE2-CG 3.78Å; F280-W287 HydrophobicContact CE2-CZ2 4.18Å; F280-W287 AromaticContact CE2-NE1 3.69Å; F280-W287 HydrophobicContact CZ-CD2 4.46Å; W287-E289 VanDerWaalsContact C-N 3.34Å; W287-F290 HydrophobicContact CE3-CD1 4.45Å; W287-F290 HydrophobicContact CZ3-CD1 4.25Å; W287-F290 PolarHBondContact O-N 2.78Å; W287-R292 HydrophobicContact CE3-CG 4.41Å; W287-R292 HydrophobicContact CZ3-CG 3.83Å
288	N	94	Very high	88.8	Confident	131 Å²	131	37.9 Å²	37.9	70%	0.701	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-30.9	-175.5	-67.8	-19.1	0	0	0	112.5	N286	N286-N288 PolarHBondContact O-N 3.05Å; N286-N288 PolarHBondContact OD1-N 3.21Å
289	E	94	Very high	89.2	Confident	13 Å²	13	37.8 Å²	37.8	6%	0.061	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-7.1	178.2	-66.9	-58.8	146.8	0	0	113.2	N286 W287 N291 Q388 A399 I400 D401 M405	N286-E289 WeakPolarHBondContact ND2-CB 3.4Å; N286-E289 WeakPolarHBondContact ND2-CG 3.44Å; N286-E289 PolarHBondContact OD1-N 3.05Å; W287-E289 VanDerWaalsContact C-N 3.34Å; E289-N291 PolarHBondContact O-N 3.41Å; E289-Q388 PolarHBondContact OE1-NE2 2.97Å; E289-A399 HydrophobicContact CB-CB 3.71Å; E289-A399 HydrophobicContact CG-CB 4.23Å; E289-A399 CarbonylContact O-C 3.09Å; E289-A399 VanDerWaalsContact O-CA 3.32Å; E289-A399 WeakPolarHBondContact O-CA 3.41Å; E289-I400 WeakPolarHBondContact O-CG1 3.32Å; E289-I400 PolarHBondContact O-N 3.41Å; E289-D401 WeakPolarHBondContact OE2-CB 3.48Å; E289-D401 PolarHBondContact OE2-N 3.27Å; E289-M405 HydrophobicContact CG-CE 3.9Å; E289-M405 VanDerWaalsContact OE2-CE 3.23Å; E289-M405 WeakPolarHBondContact OE2-CE 3.42Å
290	F	92.4	Very high	89.5	Confident	24 Å²	24	36.9 Å²	36.9	11%	0.105	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-85.9	111.9	-177.7	-172.8	-96.5	0	0	0	111.7	I276 F280 N286 W287 R292 F295 I298	I276-F290 HydrophobicContact CD1-CD1 4.38Å; I276-F290 HydrophobicContact CD1-CE1 3.55Å; I276-F290 HydrophobicContact CD1-CZ 4.16Å; I276-F290 HydrophobicContact CG1-CE1 3.83Å; I276-F290 HydrophobicContact CG1-CZ 3.95Å; I276-F290 HydrophobicContact CG2-CD1 4.19Å; I276-F290 HydrophobicContact CG2-CE1 3.99Å; I276-F290 HydrophobicContact CG2-CZ 4.21Å; F280-F290 HydrophobicContact CE1-CB 4.44Å; F280-F290 HydrophobicContact CE1-CD2 4.16Å; F280-F290 HydrophobicContact CE1-CG 4.41Å; F280-F290 HydrophobicContact CZ-CB 3.76Å; F280-F290 HydrophobicContact CZ-CD2 4.1Å; F280-F290 AromaticContact CZ-CG 3.89Å; F280-F290 HydrophobicContact CZ-CG 3.89Å; N286-F290 WeakPolarHBondContact O-CB 3.16Å; N286-F290 PolarHBondContact O-N 3.35Å; W287-F290 HydrophobicContact CE3-CD1 4.45Å; W287-F290 HydrophobicContact CZ3-CD1 4.25Å; W287-F290 PolarHBondContact O-N 2.78Å; F290-R292 HydrophobicContact CD1-CG 4.03Å; F290-R292 HydrophobicContact CE1-CG 4.28Å; F290-R292 PolarHBondContact O-N 3.49Å; F290-F295 HydrophobicContact CE1-CB 4.18Å; F290-F295 HydrophobicContact CE1-CD2 4.21Å; F290-F295 HydrophobicContact CE1-CG 4.27Å; F290-F295 HydrophobicContact CE2-CD2 4.43Å; F290-F295 HydrophobicContact CZ-CB 4.13Å; F290-F295 AromaticContact CZ-CD2 3.46Å; F290-F295 HydrophobicContact CZ-CD2 3.46Å; F290-F295 VanDerWaalsContact CZ-CD2 3.46Å; F290-F295 HydrophobicContact CZ-CE2 4.02Å; F290-F295 AromaticContact CZ-CG 3.97Å; F290-F295 HydrophobicContact CZ-CG 3.97Å; F290-I298 HydrophobicContact CE2-CD1 4.47Å
291	N	89.8	Confident	89.9	Confident	50 Å²	50	36.8 Å²	36.8	27%	0.267	17%	0.172	S	C	.	.			trans	-77.6	92.3	177.3	-168.8	-19	0	0	0	111.3	M121 E289 K293 M294 F295 I400	M121-N291 HydrophobicContact CE-CB 4.05Å; E289-N291 PolarHBondContact O-N 3.41Å; N291-K293 PolarHBondContact O-N 2.57Å; N291-K293 WeakPolarHBondContact OD1-CB 3.32Å; N291-K293 PolarHBondContact OD1-N 3.09Å; N291-M294 HydrophobicContact CB-CB 4.22Å; N291-M294 HydrophobicContact CB-CG 4.19Å; N291-M294 WeakPolarHBondContact ND2-CG 3.39Å; N291-M294 PolarHBondContact O-N 2.63Å; N291-F295 PolarHBondContact O-N 3.49Å; N291-I400 HydrophobicContact CB-CD1 4.26Å; N291-I400 HydrophobicContact CB-CG1 3.78Å
292	R	89.6	Confident	90.2	Very high	94 Å²	94	38 Å²	38	36%	0.355	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-53.3	-37.9	177.7	-71.1	-173.8	71	-161.5	-0.1	113.3	E269 E272 W287 F290 M294 F295	E269-R292 IonicContact OE1-CZ 2.75Å; E269-R292 IonicContact OE1-NH1 3.66Å; E269-R292 PolarHBondContact OE1-NH1 3.09Å; E269-R292 IonicContact OE1-NH2 3.87Å; E269-R292 PolarHBondContact OE1-NH2 3.3Å; E272-R292 IonicContact OE1-CZ 3.55Å; E272-R292 IonicContact OE1-NE 2.82Å; E272-R292 PolarHBondContact OE1-NE 3.03Å; E272-R292 IonicContact OE1-NH2 2.74Å; E272-R292 PolarHBondContact OE1-NH2 2.75Å; W287-R292 HydrophobicContact CE3-CG 4.41Å; W287-R292 HydrophobicContact CZ3-CG 3.83Å; F290-R292 HydrophobicContact CD1-CG 4.03Å; F290-R292 HydrophobicContact CE1-CG 4.28Å; F290-R292 PolarHBondContact O-N 3.49Å; R292-M294 PolarHBondContact O-N 3.47Å; R292-F295 WeakPolarHBondContact O-CB 3.36Å; R292-F295 PolarHBondContact O-N 3.28Å
293	K	88.3	Confident	90.7	Very high	114 Å²	114	36.3 Å²	36.3	50%	0.496	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-63.3	-26.1	178.9	-68.3	-170.4	168.9	-165.4	0	113	I60 N291	I60-K293 HydrophobicContact CD1-CB 4.5Å; I60-K293 WeakPolarHBondContact CD1-O 3.46Å; N291-K293 PolarHBondContact O-N 2.57Å; N291-K293 WeakPolarHBondContact OD1-CB 3.32Å; N291-K293 PolarHBondContact OD1-N 3.09Å
294	M	90.7	Very high	90.8	Very high	26 Å²	26	36.2 Å²	36.2	13%	0.128	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-89.3	-4.5	177	-65.3	-58.1	-64.6	0	0	112.8	V120 M121 N291 R292 V297 I298	V120-M294 WeakPolarHBondContact O-CE 3.39Å; M121-M294 HydrophobicContact CE-CB 3.95Å; M121-M294 HydrophobicContact CE-CG 3.84Å; M121-M294 HydrophobicContact SD-CB 4.15Å; M121-M294 HydrophobicContact SD-CG 4.43Å; N291-M294 HydrophobicContact CB-CB 4.22Å; N291-M294 HydrophobicContact CB-CG 4.19Å; N291-M294 WeakPolarHBondContact ND2-CG 3.39Å; N291-M294 PolarHBondContact O-N 2.63Å; R292-M294 PolarHBondContact O-N 3.47Å; M294-V297 HydrophobicContact CE-CB 4.04Å; M294-V297 HydrophobicContact CE-CG1 4.21Å; M294-V297 HydrophobicContact CE-CG2 3.87Å; M294-V297 WeakPolarHBondContact O-CB 3.5Å; M294-V297 PolarHBondContact O-N 2.92Å; M294-V297 VanDerWaalsContact O-N 3.1Å; M294-V297 HydrophobicContact SD-CG2 4.46Å; M294-I298 WeakPolarHBondContact O-CG1 3.49Å; M294-I298 PolarHBondContact O-N 3.36Å
295	F	89.4	Confident	90.9	Very high	9 Å²	9	36.2 Å²	36.2	4%	0.039	17%	0.166	C	C	.	.	H	α-helix	trans	-61.1	-38.9	-177.5	-171.8	-127	0	0	0	113.9	C265 E272 C275 I276 F290 N291 R292 V297 I298 L299	C265-F295 HydrophobicContact CB-CE1 4.37Å; C265-F295 HydrophobicContact CB-CZ 4.43Å; E272-F295 HydrophobicContact CB-CE1 4.49Å; E272-F295 HydrophobicContact CG-CD1 3.36Å; E272-F295 HydrophobicContact CG-CE1 3.43Å; E272-F295 VanDerWaalsContact CG-CE1 3.43Å; C275-F295 HydrophobicContact CB-CZ 4.36Å; I276-F295 HydrophobicContact CD1-CD1 3.94Å; I276-F295 HydrophobicContact CD1-CE1 3.99Å; I276-F295 HydrophobicContact CD1-CG 4.26Å; I276-F295 HydrophobicContact CD1-CZ 4.35Å; I276-F295 HydrophobicContact CG1-CD1 4.08Å; I276-F295 HydrophobicContact CG1-CD2 4.3Å; I276-F295 HydrophobicContact CG1-CE1 3.69Å; I276-F295 HydrophobicContact CG1-CE2 3.92Å; I276-F295 HydrophobicContact CG1-CG 4.34Å; I276-F295 HydrophobicContact CG1-CZ 3.58Å; F290-F295 HydrophobicContact CE1-CB 4.18Å; F290-F295 HydrophobicContact CE1-CD2 4.21Å; F290-F295 HydrophobicContact CE1-CG 4.27Å; F290-F295 HydrophobicContact CE2-CD2 4.43Å; F290-F295 HydrophobicContact CZ-CB 4.13Å; F290-F295 AromaticContact CZ-CD2 3.46Å; F290-F295 HydrophobicContact CZ-CD2 3.46Å; F290-F295 VanDerWaalsContact CZ-CD2 3.46Å; F290-F295 HydrophobicContact CZ-CE2 4.02Å; F290-F295 AromaticContact CZ-CG 3.97Å; F290-F295 HydrophobicContact CZ-CG 3.97Å; N291-F295 PolarHBondContact O-N 3.49Å; R292-F295 WeakPolarHBondContact O-CB 3.36Å; R292-F295 PolarHBondContact O-N 3.28Å; F295-V297 VanDerWaalsContact C-N 3.28Å; F295-V297 PolarHBondContact O-N 2.78Å; F295-I298 HydrophobicContact CD2-CB 4.44Å; F295-I298 PolarHBondContact O-N 3.24Å; F295-L299 HydrophobicContact CD1-CD1 3.89Å; F295-L299 HydrophobicContact CD1-CG 4.27Å; F295-L299 HydrophobicContact CD2-CG 4.15Å; F295-L299 HydrophobicContact CE1-CD1 3.52Å; F295-L299 HydrophobicContact CE1-CD2 4.35Å; F295-L299 HydrophobicContact CE1-CG 3.97Å; F295-L299 HydrophobicContact CE2-CD1 4.35Å; F295-L299 HydrophobicContact CE2-CD2 3.9Å; F295-L299 HydrophobicContact CE2-CG 3.87Å; F295-L299 HydrophobicContact CG-CD1 4.47Å; F295-L299 HydrophobicContact CG-CG 4.4Å; F295-L299 HydrophobicContact CZ-CD1 3.8Å; F295-L299 HydrophobicContact CZ-CD2 3.74Å; F295-L299 HydrophobicContact CZ-CG 3.78Å; F295-L299 WeakPolarHBondContact O-CG 3.27Å; F295-L299 PolarHBondContact O-N 3.31Å
296	P	88.5	Confident	91	Very high	45 Å²	45	30.9 Å²	30.9	29%	0.292	15%	0.147	S	C	.	.	H	α-helix	trans	-59.6	-38.3	173	-25.5	35.5	0	0	0	113.1	I60 S64 L299 G300	I60-P296 HydrophobicContact CG2-CB 3.91Å; I60-P296 HydrophobicContact CG2-CG 4.21Å; S64-P296 WeakPolarHBondContact CB-O 3.42Å; P296-L299 PolarHBondContact O-N 2.89Å; P296-G300 PolarHBondContact O-N 3.11Å
297	V	92.2	Very high	91	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.5	-48.7	174.3	-175.2	0	0	0	0	110.3	I60 D63 V120 M294 F295 L299 G300 H301	I60-V297 HydrophobicContact CB-CG2 4.38Å; I60-V297 HydrophobicContact CG1-CG2 4.49Å; I60-V297 HydrophobicContact CG2-CG2 3.97Å; D63-V297 HydrophobicContact CB-CG1 3.86Å; D63-V297 HydrophobicContact CB-CG2 3.91Å; V120-V297 HydrophobicContact CB-CG1 4.27Å; V120-V297 HydrophobicContact CG1-CG1 4.44Å; M294-V297 HydrophobicContact CE-CB 4.04Å; M294-V297 HydrophobicContact CE-CG1 4.21Å; M294-V297 HydrophobicContact CE-CG2 3.87Å; M294-V297 WeakPolarHBondContact O-CB 3.5Å; M294-V297 PolarHBondContact O-N 2.92Å; M294-V297 VanDerWaalsContact O-N 3.1Å; M294-V297 HydrophobicContact SD-CG2 4.46Å; F295-V297 VanDerWaalsContact C-N 3.28Å; F295-V297 PolarHBondContact O-N 2.78Å; V297-L299 VanDerWaalsContact C-N 3.32Å; V297-L299 PolarHBondContact O-N 2.96Å; V297-G300 PolarHBondContact O-N 2.87Å; V297-G300 VanDerWaalsContact O-N 3.12Å; V297-H301 PolarHBondContact O-CD2 3.2Å; V297-H301 PolarHBondContact O-N 3.16Å
298	I	91.5	Very high	90.9	Very high	5 Å²	5	27.4 Å²	27.4	3%	0.026	14%	0.135	C	C	.	.	H	α-helix	trans	-56.3	-47.8	176.5	-66.9	167.2	0	0	0	110.2	M121 F290 M294 F295 G300 H301 Y302 W398	M121-I298 HydrophobicContact SD-CD1 4.3Å; F290-I298 HydrophobicContact CE2-CD1 4.47Å; M294-I298 WeakPolarHBondContact O-CG1 3.49Å; M294-I298 PolarHBondContact O-N 3.36Å; F295-I298 HydrophobicContact CD2-CB 4.44Å; F295-I298 PolarHBondContact O-N 3.24Å; I298-G300 VanDerWaalsContact C-N 3.29Å; I298-G300 PolarHBondContact O-N 2.75Å; I298-H301 CarbonylContact O-C 3.53Å; I298-H301 PolarHBondContact O-N 3.42Å; I298-Y302 WeakPolarHBondContact O-CA 3.48Å; I298-Y302 WeakPolarHBondContact O-CB 3.3Å; I298-Y302 PolarHBondContact O-N 2.7Å; I298-W398 HydrophobicContact CD1-CB 4.36Å; I298-W398 HydrophobicContact CD1-CD2 4.06Å; I298-W398 HydrophobicContact CD1-CE3 3.95Å; I298-W398 HydrophobicContact CD1-CG 4.25Å; I298-W398 HydrophobicContact CG1-CD2 4.35Å; I298-W398 HydrophobicContact CG1-CE3 4.45Å; I298-W398 HydrophobicContact CG2-CD2 4.47Å; I298-W398 HydrophobicContact CG2-CE3 4.02Å; I298-W398 HydrophobicContact CG2-CH2 3.63Å; I298-W398 HydrophobicContact CG2-CZ2 4.14Å; I298-W398 HydrophobicContact CG2-CZ3 3.57Å
299	L	88.7	Confident	90.9	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.021	11%	0.106	C	C	.	.	H	α-helix	trans	-62.6	-34.5	178.6	-73.9	-179.9	0	0	0	112.7	F261 R262 C265 R266 F295 P296 V297 H301 Y302	F261-L299 HydrophobicContact CD1-CD2 4.3Å; F261-L299 HydrophobicContact CE1-CD2 4.22Å; R262-L299 WeakPolarHBondContact CD-O 3.42Å; R262-L299 WeakPolarHBondContact CG-O 3.41Å; R262-L299 PolarHBondContact NE-O 3.47Å; C265-L299 HydrophobicContact CB-CD1 3.59Å; C265-L299 HydrophobicContact CB-CD2 3.99Å; C265-L299 HydrophobicContact CB-CG 4.46Å; R266-L299 HydrophobicContact CG-CD1 4.05Å; F295-L299 HydrophobicContact CD1-CD1 3.89Å; F295-L299 HydrophobicContact CD1-CG 4.27Å; F295-L299 HydrophobicContact CD2-CG 4.15Å; F295-L299 HydrophobicContact CE1-CD1 3.52Å; F295-L299 HydrophobicContact CE1-CD2 4.35Å; F295-L299 HydrophobicContact CE1-CG 3.97Å; F295-L299 HydrophobicContact CE2-CD1 4.35Å; F295-L299 HydrophobicContact CE2-CD2 3.9Å; F295-L299 HydrophobicContact CE2-CG 3.87Å; F295-L299 HydrophobicContact CG-CD1 4.47Å; F295-L299 HydrophobicContact CG-CG 4.4Å; F295-L299 HydrophobicContact CZ-CD1 3.8Å; F295-L299 HydrophobicContact CZ-CD2 3.74Å; F295-L299 HydrophobicContact CZ-CG 3.78Å; F295-L299 WeakPolarHBondContact O-CG 3.27Å; F295-L299 PolarHBondContact O-N 3.31Å; P296-L299 PolarHBondContact O-N 2.89Å; V297-L299 VanDerWaalsContact C-N 3.32Å; V297-L299 PolarHBondContact O-N 2.96Å; L299-H301 PolarHBondContact O-N 3.1Å; L299-Y302 WeakPolarHBondContact CA-O 3.47Å
300	G	89.5	Confident	90.9	Very high	8 Å²	8	21.7 Å²	21.7	8%	0.082	10%	0.104	C	C	.	.	H	α-helix	trans	-56.4	-33.7	172.7	0	0	0	0	0	112.9	S64 R147 P296 V297 I298	S64-G300 VanDerWaalsContact O-CA 3.27Å; S64-G300 WeakPolarHBondContact O-CA 3.2Å; R147-G300 PolarHBondContact NH1-O 3.05Å; R147-G300 PolarHBondContact NH2-O 3.41Å; R147-G300 VanDerWaalsContact NH2-O 3.16Å; P296-G300 PolarHBondContact O-N 3.11Å; V297-G300 PolarHBondContact O-N 2.87Å; V297-G300 VanDerWaalsContact O-N 3.12Å; I298-G300 VanDerWaalsContact C-N 3.29Å; I298-G300 PolarHBondContact O-N 2.75Å
301	H	92.2	Very high	90.8	Very high	6 Å²	6	21.2 Å²	21.2	3%	0.028	10%	0.103	C	C	.	.	H	α-helix	trans	-109.5	-19.4	-171.2	-70.2	-62.9	0	0	0	115.3	D63 L66 A116 V120 R147 V297 I298 L299	D63-H301 PolarHBondContact O-NE2 2.02Å; L66-H301 PolarHBondContact O-CE1 2.96Å; A116-H301 HydrophobicContact CB-CB 3.62Å; V120-H301 HydrophobicContact CG1-CB 3.75Å; V120-H301 VanDerWaalsContact CG1-CD2 3.49Å; V120-H301 WeakPolarHBondContact CG1-CD2 3.44Å; R147-H301 PolarHBondContact NH2-O 2.89Å; V297-H301 PolarHBondContact O-CD2 3.2Å; V297-H301 PolarHBondContact O-N 3.16Å; I298-H301 CarbonylContact O-C 3.53Å; I298-H301 PolarHBondContact O-N 3.42Å; L299-H301 PolarHBondContact O-N 3.1Å
302	Y	89	Confident	90.9	Very high	31 Å²	31	20.9 Å²	20.9	12%	0.122	10%	0.099	C	C	.	.	S	Bend	trans	-135.3	133.4	-175.3	-177.1	-85.6	0	0	0	110	V112 D113 I298 L299 W398	V112-Y302 HydrophobicContact CB-CE2 3.95Å; V112-Y302 HydrophobicContact CG1-CE1 4.5Å; V112-Y302 HydrophobicContact CG1-CE2 3.96Å; V112-Y302 WeakPolarHBondContact O-CD2 3.01Å; V112-Y302 WeakPolarHBondContact O-CE2 3.43Å; D113-Y302 HydrophobicContact CB-CD2 4.13Å; D113-Y302 HydrophobicContact CB-CE2 4.15Å; I298-Y302 WeakPolarHBondContact O-CA 3.48Å; I298-Y302 WeakPolarHBondContact O-CB 3.3Å; I298-Y302 PolarHBondContact O-N 2.7Å; L299-Y302 WeakPolarHBondContact CA-O 3.47Å; Y302-W398 HydrophobicContact CD1-CH2 4.04Å; Y302-W398 AromaticContact CD2-CH2 3.89Å; Y302-W398 HydrophobicContact CD2-CH2 3.89Å; Y302-W398 HydrophobicContact CD2-CZ2 4.33Å; Y302-W398 HydrophobicContact CE1-CH2 4.49Å; Y302-W398 HydrophobicContact CE2-CH2 4.35Å; Y302-W398 AromaticContact CG-CH2 3.72Å; Y302-W398 HydrophobicContact CG-CH2 3.72Å; Y302-W398 HydrophobicContact CG-CZ2 4.38Å
303	P	90.5	Very high	91.1	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.013	8%	0.083	C	C	.	.			cis	-74.7	160.3	0.6	32.9	-39.4	0	0	0	113.3	V112 R147 F257 F261 R262	V112-P303 HydrophobicContact CG1-CB 3.12Å; V112-P303 HydrophobicContact CG1-CG 4.49Å; V112-P303 CarbonylContact O-C 3.52Å; V112-P303 WeakPolarHBondContact O-CA 3.26Å; R147-P303 PolarHBondContact NH2-O 3.02Å; F257-P303 HydrophobicContact CB-CB 3.57Å; F257-P303 HydrophobicContact CB-CG 3.85Å; F257-P303 HydrophobicContact CG-CB 4.47Å; F257-P303 WeakPolarHBondContact O-CB 3.27Å; F257-P303 WeakPolarHBondContact O-CG 3.44Å; F261-P303 HydrophobicContact CB-CG 4Å; R262-P303 PolarHBondContact NE-O 3.35Å; R262-P303 PolarHBondContact NH2-O 3.17Å
304	A	91.9	Very high	91.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.065	C	C	.	.			trans	-116.3	13.4	-174.5	0	0	0	0	0	114.5	V112 N146 R147	V112-A304 PolarHBondContact O-N 3.23Å; N146-A304 CarbonylContact C-O 3.48Å; N146-A304 VanDerWaalsContact CA-O 3.26Å; N146-A304 WeakPolarHBondContact CA-O 3.47Å; R147-A304 HydrophobicContact CG-CB 4.19Å; R147-A304 PolarHBondContact N-O 3.3Å
305	G	90.3	Very high	91.3	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.062	C	C	.	.			trans	84	139.2	178.2	0	0	0	0	0	114.4	M256 F257	M256-G305 CarbonylContact O-C 3.59Å; M256-G305 WeakPolarHBondContact O-CA 3.48Å; F257-G305 WeakPolarHBondContact O-CA 3.43Å; F257-G305 PolarHBondContact O-N 3.2Å
306	V	92.9	Very high	91.5	Very high	5 Å²	5	13.7 Å²	13.7	3%	0.03	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	155.5	175	-70.9	0	0	0	0	112.2	L111 V112 M256 F257 V311	L111-V306 HydrophobicContact CD1-CB 4.24Å; L111-V306 HydrophobicContact CD1-CG1 3.74Å; L111-V306 HydrophobicContact CG-CG1 4.16Å; V112-V306 HydrophobicContact CG2-CG1 4.27Å; V112-V306 HydrophobicContact CG2-CG2 4.17Å; M256-V306 HydrophobicContact CB-CG2 4.35Å; M256-V306 PolarHBondContact N-O 3.38Å; M256-V306 PolarHBondContact O-N 3.35Å; F257-V306 HydrophobicContact CD2-CG2 3.85Å; F257-V306 HydrophobicContact CE2-CG2 4.46Å; V306-V311 HydrophobicContact CG2-CG2 4.4Å
307	A	93.8	Very high	91.7	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	133.4	165.2	0	0	0	0	0	112	W163 F165 K309 Q310	W163-A307 HydrophobicContact CE3-CB 3.93Å; F165-A307 HydrophobicContact CD1-CB 4.37Å; F165-A307 HydrophobicContact CD2-CB 4.15Å; F165-A307 HydrophobicContact CE1-CB 3.94Å; F165-A307 HydrophobicContact CE2-CB 3.7Å; F165-A307 HydrophobicContact CG-CB 4.46Å; F165-A307 HydrophobicContact CZ-CB 3.57Å; A307-K309 PolarHBondContact O-N 3.19Å; A307-K309 VanDerWaalsContact O-N 3.1Å; A307-Q310 HydrophobicContact CB-CG 4.35Å; A307-Q310 WeakPolarHBondContact O-CB 2.87Å; A307-Q310 PolarHBondContact O-N 3.27Å
308	A	90.6	Very high	91.7	Very high	8 Å²	8	12.7 Å²	12.7	7%	0.066	6%	0.063	C	C	.	.	H	α-helix	trans	-57.2	-28.5	175.7	0	0	0	0	0	112.9	R254 M256 Q310 V311 K312	R254-A308 PolarHBondContact O-N 3.35Å; M256-A308 HydrophobicContact CG-CB 4.16Å; M256-A308 HydrophobicContact SD-CB 3.78Å; A308-Q310 VanDerWaalsContact C-N 3.29Å; A308-Q310 PolarHBondContact O-N 3.22Å; A308-V311 PolarHBondContact O-N 2.81Å; A308-K312 WeakPolarHBondContact O-CG 3.39Å; A308-K312 PolarHBondContact O-N 3.5Å; A308-K312 VanDerWaalsContact O-N 3.09Å
309	K	92.6	Very high	91.5	Very high	21 Å²	21	17.5 Å²	17.5	9%	0.091	8%	0.083	C	C	.	.	H	α-helix	trans	-65.9	-26.6	176.1	-176.3	-179.9	178.1	-176.7	0	112.5	D164 F165 S166 A307 H313 Y326 Y328	D164-K309 PolarHBondContact O-NZ 2.82Å; D164-K309 WeakPolarHBondContact OD1-CD 3.49Å; D164-K309 IonicContact OD1-NZ 2.7Å; D164-K309 PolarHBondContact OD1-NZ 3.06Å; F165-K309 WeakPolarHBondContact O-CB 3.48Å; S166-K309 PolarHBondContact OG-O 3.49Å; A307-K309 PolarHBondContact O-N 3.19Å; A307-K309 VanDerWaalsContact O-N 3.1Å; K309-H313 WeakPolarHBondContact O-CB 3.38Å; K309-H313 PolarHBondContact O-N 3.48Å; K309-H313 VanDerWaalsContact O-N 3.08Å; K309-Y326 HydrophobicContact CG-CD2 3.95Å; K309-Y326 HydrophobicContact CG-CE2 3.72Å; K309-Y328 PolarHBondContact NZ-OH 3.44Å
310	Q	94.7	Very high	91.7	Very high	3 Å²	3	20.2 Å²	20.2	1%	0.014	10%	0.103	C	C	.	.	H	α-helix	trans	-64.9	-49.1	171.3	-68	173.6	85.3	0	0	111.4	L111 F165 A307 A308 K312 H313 F314	L111-Q310 HydrophobicContact CD1-CB 3.64Å; L111-Q310 HydrophobicContact CD1-CG 4.41Å; F165-Q310 HydrophobicContact CE2-CG 4.39Å; F165-Q310 VanDerWaalsContact CE2-NE2 3.26Å; A307-Q310 HydrophobicContact CB-CG 4.35Å; A307-Q310 WeakPolarHBondContact O-CB 2.87Å; A307-Q310 PolarHBondContact O-N 3.27Å; A308-Q310 VanDerWaalsContact C-N 3.29Å; A308-Q310 PolarHBondContact O-N 3.22Å; Q310-K312 PolarHBondContact O-N 3.04Å; Q310-H313 WeakPolarHBondContact O-CB 3.45Å; Q310-H313 PolarHBondContact O-N 3.2Å; Q310-H313 VanDerWaalsContact O-N 3.14Å; Q310-F314 PolarHBondContact O-N 3.24Å; Q310-F314 VanDerWaalsContact O-N 3.1Å
311	V	91.2	Very high	91.8	Very high	14 Å²	14	20.8 Å²	20.8	9%	0.085	11%	0.108	C	C	.	.	H	α-helix	trans	-64.1	-43.7	-179.6	-169.9	0	0	0	0	111.3	L111 F245 V306 A308 H313 F314 I315	L111-V311 HydrophobicContact CD2-CG2 4.31Å; F245-V311 HydrophobicContact CD1-CB 3.9Å; F245-V311 HydrophobicContact CD1-CG1 3.49Å; F245-V311 VanDerWaalsContact CD1-CG1 3.49Å; F245-V311 HydrophobicContact CD2-CG1 4.2Å; F245-V311 HydrophobicContact CE1-CB 3.62Å; F245-V311 HydrophobicContact CE1-CG1 3.31Å; F245-V311 HydrophobicContact CE1-CG2 3.77Å; F245-V311 HydrophobicContact CE2-CG1 4.1Å; F245-V311 HydrophobicContact CG-CG1 3.93Å; F245-V311 HydrophobicContact CZ-CB 4.32Å; F245-V311 HydrophobicContact CZ-CG1 3.66Å; F245-V311 HydrophobicContact CZ-CG2 4.25Å; V306-V311 HydrophobicContact CG2-CG2 4.4Å; A308-V311 PolarHBondContact O-N 2.81Å; V311-H313 PolarHBondContact O-N 3.41Å; V311-F314 PolarHBondContact O-N 3.19Å; V311-I315 HydrophobicContact CG1-CD1 4.29Å; V311-I315 WeakPolarHBondContact O-CG1 3.03Å; V311-I315 PolarHBondContact O-N 2.62Å
312	K	90	Very high	91.9	Very high	44 Å²	44	23.1 Å²	23.1	19%	0.191	12%	0.117	C	C	.	.	H	α-helix	trans	-58.7	-37.5	174.9	-73.2	175.6	-177.3	168.8	0	112	V249 A308 Q310 I315 Q316 Y326	V249-K312 HydrophobicContact CG2-CD 4.45Å; A308-K312 WeakPolarHBondContact O-CG 3.39Å; A308-K312 PolarHBondContact O-N 3.5Å; A308-K312 VanDerWaalsContact O-N 3.09Å; Q310-K312 PolarHBondContact O-N 3.04Å; K312-I315 WeakPolarHBondContact O-CB 3.32Å; K312-I315 PolarHBondContact O-N 2.83Å; K312-Q316 WeakPolarHBondContact O-CG 3.34Å; K312-Q316 PolarHBondContact O-N 3.09Å; K312-Y326 HydrophobicContact CB-CE2 4.19Å
313	H	94.4	Very high	92.3	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.009	11%	0.112	C	C	.	.	H	α-helix	trans	-67.9	-41	178.5	-158.2	179.9	0	0	0	112.3	S166 W167 K309 Q310 V311 I315 Q316 I317 A324 Y326	S166-H313 WeakPolarHBondContact OG-CB 3.48Å; S166-H313 PolarHBondContact OG-ND1 3.48Å; W167-H313 AromaticContact CD2-ND1 3.76Å; W167-H313 AromaticContact CE2-CE1 3.46Å; W167-H313 VanDerWaalsContact CE2-CE1 3.46Å; W167-H313 AromaticContact CE2-CG 3.54Å; W167-H313 AromaticContact CE2-ND1 3.15Å; W167-H313 AromaticContact CH2-CE1 3.28Å; W167-H313 WeakPolarHBondContact CH2-CE1 3.34Å; W167-H313 AromaticContact CH2-ND1 3.89Å; W167-H313 AromaticContact CH2-NE2 3.51Å; W167-H313 HydrophobicContact CZ2-CB 4.38Å; W167-H313 AromaticContact CZ2-CD2 3.47Å; W167-H313 VanDerWaalsContact CZ2-CD2 3.47Å; W167-H313 WeakPolarHBondContact CZ2-CD2 3.47Å; W167-H313 AromaticContact CZ2-CE1 3.04Å; W167-H313 WeakPolarHBondContact CZ2-CE1 3.43Å; W167-H313 AromaticContact CZ2-CG 3.45Å; W167-H313 VanDerWaalsContact CZ2-CG 3.45Å; W167-H313 AromaticContact CZ2-ND1 3.2Å; W167-H313 WeakPolarHBondContact CZ2-ND1 3.45Å; W167-H313 AromaticContact CZ2-NE2 3.22Å; W167-H313 WeakPolarHBondContact CZ2-NE2 3.3Å; W167-H313 AromaticContact CZ3-CE1 3.85Å; W167-H313 AromaticContact NE1-CG 3.53Å; W167-H313 AromaticContact NE1-ND1 3.44Å; W167-H313 PolarHBondContact NE1-ND1 3.31Å; K309-H313 WeakPolarHBondContact O-CB 3.38Å; K309-H313 PolarHBondContact O-N 3.48Å; K309-H313 VanDerWaalsContact O-N 3.08Å; Q310-H313 WeakPolarHBondContact O-CB 3.45Å; Q310-H313 PolarHBondContact O-N 3.2Å; Q310-H313 VanDerWaalsContact O-N 3.14Å; V311-H313 PolarHBondContact O-N 3.41Å; H313-I315 VanDerWaalsContact C-N 3.32Å; H313-I315 PolarHBondContact O-N 2.84Å; H313-Q316 WeakPolarHBondContact O-CB 3.38Å; H313-Q316 PolarHBondContact O-N 3.22Å; H313-Q316 VanDerWaalsContact O-N 3.11Å; H313-I317 PolarHBondContact O-N 3.43Å; H313-I317 VanDerWaalsContact O-N 3.11Å; H313-A324 PolarHBondContact NE2-O 2.74Å; H313-Y326 HydrophobicContact CB-CD2 3.77Å; H313-Y326 HydrophobicContact CB-CE2 4.22Å; H313-Y326 PolarHBondContact CE1-N 3.45Å; H313-Y326 VanDerWaalsContact CE1-N 3.29Å; H313-Y326 AromaticContact CG-CD2 3.73Å; H313-Y326 VanDerWaalsContact NE2-CA 3.28Å; H313-Y326 WeakPolarHBondContact NE2-CA 3.36Å; H313-Y326 PolarHBondContact NE2-N 3.35Å; H313-Y326 VanDerWaalsContact NE2-N 3.1Å
314	F	93.4	Very high	92.6	Very high	29 Å²	29	21.8 Å²	21.8	13%	0.127	11%	0.113	C	C	.	.	H	α-helix	trans	-62.7	-37.8	171.8	-82.1	-62	0	0	0	112.6	L111 W167 Q198 T201 A226 Q310 V311 Q316 I317 I318	L111-F314 HydrophobicContact CB-CE2 4.4Å; L111-F314 HydrophobicContact CD1-CE2 4.34Å; L111-F314 HydrophobicContact CD2-CD2 4.04Å; L111-F314 HydrophobicContact CD2-CE2 4.2Å; W167-F314 AromaticContact CD1-CE2 3.64Å; W167-F314 AromaticContact CD1-CZ 3.84Å; W167-F314 AromaticContact NE1-CE2 3.97Å; Q198-F314 HydrophobicContact CB-CE2 4.37Å; Q198-F314 HydrophobicContact CB-CZ 4.17Å; Q198-F314 HydrophobicContact CG-CE2 4.25Å; Q198-F314 HydrophobicContact CG-CZ 4.16Å; T201-F314 HydrophobicContact CG2-CE1 4.21Å; T201-F314 HydrophobicContact CG2-CZ 4.22Å; A226-F314 HydrophobicContact CB-CE1 4.07Å; A226-F314 HydrophobicContact CB-CZ 4.38Å; Q310-F314 PolarHBondContact O-N 3.24Å; Q310-F314 VanDerWaalsContact O-N 3.1Å; V311-F314 PolarHBondContact O-N 3.19Å; F314-Q316 VanDerWaalsContact C-N 3.25Å; F314-Q316 PolarHBondContact O-N 2.8Å; F314-I317 HydrophobicContact CD1-CD1 4.13Å; F314-I317 HydrophobicContact CE1-CD1 4.46Å; F314-I317 WeakPolarHBondContact O-CB 3.35Å; F314-I317 PolarHBondContact O-N 2.87Å; F314-I317 VanDerWaalsContact O-N 3.11Å; F314-I318 WeakPolarHBondContact O-CG1 3.44Å; F314-I318 PolarHBondContact O-N 3.26Å
315	I	90.8	Very high	92.9	Very high	11 Å²	11	22.4 Å²	22.4	6%	0.056	12%	0.116	C	C	.	.	H	α-helix	trans	-60.7	-36.1	173	-67.9	165.6	0	0	0	111.5	F245 V311 K312 H313 I318 K319	F245-I315 HydrophobicContact CB-CD1 3.37Å; F245-I315 HydrophobicContact CG-CD1 4.03Å; V311-I315 HydrophobicContact CG1-CD1 4.29Å; V311-I315 WeakPolarHBondContact O-CG1 3.03Å; V311-I315 PolarHBondContact O-N 2.62Å; K312-I315 WeakPolarHBondContact O-CB 3.32Å; K312-I315 PolarHBondContact O-N 2.83Å; H313-I315 VanDerWaalsContact C-N 3.32Å; H313-I315 PolarHBondContact O-N 2.84Å; I315-I318 PolarHBondContact O-N 3.49Å; I315-K319 HydrophobicContact CG2-CD 4.13Å; I315-K319 HydrophobicContact CG2-CG 4.5Å; I315-K319 WeakPolarHBondContact O-CG 3.45Å; I315-K319 PolarHBondContact O-N 3.09Å
316	Q	92	Very high	93.2	Very high	50 Å²	50	24.3 Å²	24.3	23%	0.234	12%	0.124	C	C	.	.	H	α-helix	trans	-64.6	-40.9	173.9	-67.8	175.4	-9.5	0	0	111.8	K312 H313 F314 S320 S327	K312-Q316 WeakPolarHBondContact O-CG 3.34Å; K312-Q316 PolarHBondContact O-N 3.09Å; H313-Q316 WeakPolarHBondContact O-CB 3.38Å; H313-Q316 PolarHBondContact O-N 3.22Å; H313-Q316 VanDerWaalsContact O-N 3.11Å; F314-Q316 VanDerWaalsContact C-N 3.25Å; F314-Q316 PolarHBondContact O-N 2.8Å; Q316-S320 WeakPolarHBondContact O-CB 3.36Å; Q316-S320 PolarHBondContact O-N 2.83Å; Q316-S320 PolarHBondContact O-OG 3.18Å; Q316-S327 PolarHBondContact NE2-O 2.8Å
317	I	93.7	Very high	93.3	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-62.3	-49.1	174.7	-66	171.5	0	0	0	110.2	W167 V227 A229 H313 F314 K319 S320 G321 F323	W167-I317 HydrophobicContact CH2-CD1 3.87Å; W167-I317 HydrophobicContact CZ2-CD1 3.3Å; W167-I317 HydrophobicContact CZ2-CG1 4.17Å; V227-I317 WeakPolarHBondContact O-CG2 3.3Å; A229-I317 HydrophobicContact CB-CG2 4.16Å; H313-I317 PolarHBondContact O-N 3.43Å; H313-I317 VanDerWaalsContact O-N 3.11Å; F314-I317 HydrophobicContact CD1-CD1 4.13Å; F314-I317 HydrophobicContact CE1-CD1 4.46Å; F314-I317 WeakPolarHBondContact O-CB 3.35Å; F314-I317 PolarHBondContact O-N 2.87Å; F314-I317 VanDerWaalsContact O-N 3.11Å; I317-K319 VanDerWaalsContact C-N 3.33Å; I317-K319 PolarHBondContact O-N 3.17Å; I317-S320 PolarHBondContact O-N 2.87Å; I317-G321 VanDerWaalsContact O-CA 3.3Å; I317-G321 WeakPolarHBondContact O-CA 3.43Å; I317-G321 PolarHBondContact O-N 2.72Å; I317-F323 HydrophobicContact CD1-CD2 3.83Å; I317-F323 HydrophobicContact CD1-CE2 4.29Å
318	I	91.1	Very high	93.3	Very high	22 Å²	22	28.2 Å²	28.2	11%	0.113	14%	0.143	C	C	.	.	H	α-helix	trans	-55.5	-48.8	-179.3	-68.6	161.3	0	0	0	110.7	A229 E233 I238 F314 I315	A229-I318 HydrophobicContact CB-CG1 3.63Å; E233-I318 HydrophobicContact CB-CG2 3.76Å; E233-I318 HydrophobicContact CG-CG2 4.06Å; I238-I318 HydrophobicContact CG2-CD1 3.89Å; I238-I318 HydrophobicContact CG2-CG2 4.21Å; F314-I318 WeakPolarHBondContact O-CG1 3.44Å; F314-I318 PolarHBondContact O-N 3.26Å; I315-I318 PolarHBondContact O-N 3.49Å
319	K	89.2	Confident	93.4	Very high	105 Å²	105	31.4 Å²	31.4	46%	0.457	17%	0.165	S	C	.	.	H	α-helix	trans	-72	-32.8	-178.3	-71.7	-179.8	176.1	178.7	0	114.3	N246 I315 I317	N246-K319 PolarHBondContact ND2-NZ 3.01Å; N246-K319 PolarHBondContact OD1-NZ 2.92Å; I315-K319 HydrophobicContact CG2-CD 4.13Å; I315-K319 HydrophobicContact CG2-CG 4.5Å; I315-K319 WeakPolarHBondContact O-CG 3.45Å; I315-K319 PolarHBondContact O-N 3.09Å; I317-K319 VanDerWaalsContact C-N 3.33Å; I317-K319 PolarHBondContact O-N 3.17Å
320	S	91	Very high	93.3	Very high	62 Å²	62	33.1 Å²	33.1	43%	0.434	18%	0.179	S	C	.	.	H	α-helix	trans	-97.9	-21.9	-173.3	68	0	0	0	0	113.4	Q316 I317 R322	Q316-S320 WeakPolarHBondContact O-CB 3.36Å; Q316-S320 PolarHBondContact O-N 2.83Å; Q316-S320 PolarHBondContact O-OG 3.18Å; I317-S320 PolarHBondContact O-N 2.87Å; S320-R322 PolarHBondContact O-N 2.74Å; S320-R322 WeakPolarHBondContact OG-CB 3.45Å; S320-R322 PolarHBondContact OG-N 2.68Å; S320-R322 VanDerWaalsContact OG-N 3.09Å
321	G	91.5	Very high	93.3	Very high	19 Å²	19	38.8 Å²	38.8	20%	0.196	21%	0.21	C	C	.	.			trans	59.6	21.7	-164.9	0	0	0	0	0	113.2	I317	I317-G321 VanDerWaalsContact O-CA 3.3Å; I317-G321 WeakPolarHBondContact O-CA 3.43Å; I317-G321 PolarHBondContact O-N 2.72Å
322	R	94.5	Very high	93.5	Very high	55 Å²	55	42 Å²	42	21%	0.208	22%	0.222	C	C	.	.			trans	-113	114	-176.2	-60.5	174.3	63.3	94.6	-4	110.4	S320 A324 P342	S320-R322 PolarHBondContact O-N 2.74Å; S320-R322 WeakPolarHBondContact OG-CB 3.45Å; S320-R322 PolarHBondContact OG-N 2.68Å; S320-R322 VanDerWaalsContact OG-N 3.09Å; R322-A324 HydrophobicContact CB-CB 4.46Å; R322-A324 PolarHBondContact O-N 3.04Å; R322-A324 VanDerWaalsContact O-N 3.16Å; R322-P342 PolarHBondContact NH2-O 3.12Å
323	F	97.8	Very high	93.8	Very high	2 Å²	2	40 Å²	40	1%	0.009	21%	0.214	C	C	.	.			trans	-75.9	100.1	165	-168.9	-126.2	0	0	0	109.8	W167 T201 F204 V205 V227 Y228 I317 R344 Y345 L347	W167-F323 HydrophobicContact CE3-CE2 4.31Å; W167-F323 AromaticContact CH2-CD2 3.93Å; W167-F323 HydrophobicContact CH2-CD2 3.93Å; W167-F323 AromaticContact CH2-CE2 3.51Å; W167-F323 HydrophobicContact CH2-CE2 3.51Å; W167-F323 HydrophobicContact CH2-CZ 4.36Å; W167-F323 HydrophobicContact CZ2-CE2 4.28Å; W167-F323 HydrophobicContact CZ3-CD2 4.35Å; W167-F323 AromaticContact CZ3-CE2 3.51Å; W167-F323 HydrophobicContact CZ3-CE2 3.51Å; W167-F323 AromaticContact CZ3-CZ 3.96Å; W167-F323 HydrophobicContact CZ3-CZ 3.96Å; T201-F323 HydrophobicContact CG2-CE2 3.45Å; T201-F323 VanDerWaalsContact CG2-CE2 3.45Å; T201-F323 HydrophobicContact CG2-CZ 3.84Å; F204-F323 HydrophobicContact CB-CE1 4.27Å; V205-F323 HydrophobicContact CG2-CE1 4.37Å; V205-F323 HydrophobicContact CG2-CE2 4.5Å; V205-F323 HydrophobicContact CG2-CZ 3.74Å; V227-F323 HydrophobicContact CG1-CB 4.06Å; V227-F323 HydrophobicContact CG1-CD1 3.49Å; V227-F323 VanDerWaalsContact CG1-CD1 3.49Å; V227-F323 HydrophobicContact CG1-CD2 3.82Å; V227-F323 HydrophobicContact CG1-CE1 3.81Å; V227-F323 HydrophobicContact CG1-CE2 4.14Å; V227-F323 HydrophobicContact CG1-CG 3.51Å; V227-F323 HydrophobicContact CG1-CZ 4.12Å; V227-F323 WeakPolarHBondContact O-CD2 3.15Å; Y228-F323 HydrophobicContact CD1-CB 3.8Å; Y228-F323 HydrophobicContact CE1-CB 3.43Å; Y228-F323 VanDerWaalsContact CE1-CB 3.43Å; Y228-F323 HydrophobicContact CE1-CG 4.45Å; I317-F323 HydrophobicContact CD1-CD2 3.83Å; I317-F323 HydrophobicContact CD1-CE2 4.29Å; F323-R344 WeakPolarHBondContact O-CA 3.49Å; F323-Y345 AromaticContact CD1-CD2 3.51Å; F323-Y345 HydrophobicContact CD1-CD2 3.51Å; F323-Y345 HydrophobicContact CD1-CE2 4.44Å; F323-Y345 HydrophobicContact CD1-CG 4.17Å; F323-Y345 HydrophobicContact CD2-CD2 4.25Å; F323-Y345 HydrophobicContact CD2-CE2 4.5Å; F323-Y345 AromaticContact CE1-CD2 3.53Å; F323-Y345 HydrophobicContact CE1-CD2 3.53Å; F323-Y345 HydrophobicContact CE1-CE2 4.27Å; F323-Y345 HydrophobicContact CE1-CG 4.09Å; F323-Y345 HydrophobicContact CE2-CD2 4.23Å; F323-Y345 HydrophobicContact CE2-CE2 4.28Å; F323-Y345 AromaticContact CG-CD2 3.88Å; F323-Y345 HydrophobicContact CG-CD2 3.88Å; F323-Y345 AromaticContact CZ-CD2 3.91Å; F323-Y345 HydrophobicContact CZ-CD2 3.91Å; F323-Y345 HydrophobicContact CZ-CE2 4.19Å; F323-Y345 WeakPolarHBondContact O-CD2 3.22Å; F323-Y345 PolarHBondContact O-N 3.44Å; F323-L347 HydrophobicContact CD1-CD1 4.42Å; F323-L347 HydrophobicContact CD1-CD2 3.96Å; F323-L347 HydrophobicContact CD1-CG 4.37Å; F323-L347 HydrophobicContact CE1-CD2 3.9Å
324	A	97.7	Very high	93.9	Very high	4 Å²	4	43.4 Å²	43.4	3%	0.033	23%	0.231	C	C	.	.			trans	-150.2	165.3	-171.7	0	0	0	0	0	110.7	W167 H313 R322 P342 P343 Y345	W167-A324 VanDerWaalsContact CH2-O 3.28Å; W167-A324 WeakPolarHBondContact CH2-O 3.35Å; H313-A324 PolarHBondContact NE2-O 2.74Å; R322-A324 HydrophobicContact CB-CB 4.46Å; R322-A324 PolarHBondContact O-N 3.04Å; R322-A324 VanDerWaalsContact O-N 3.16Å; A324-P342 HydrophobicContact CB-CB 4.15Å; A324-P342 HydrophobicContact CB-CG 3.99Å; A324-P343 WeakPolarHBondContact CB-O 3.34Å; A324-Y345 WeakPolarHBondContact O-CE2 3.35Å
325	P	97.8	Very high	94	Very high	12 Å²	12	49.6 Å²	49.6	8%	0.078	26%	0.26	C	S	.	.	S	Bend	trans	-56.2	165.6	168.8	-26.5	35	0	0	0	113.8	S327 Y337 P342 P343 Y345	P325-S327 PolarHBondContact O-N 3.23Å; P325-Y337 HydrophobicContact CB-CE1 4.28Å; P325-P342 HydrophobicContact CB-CB 4.23Å; P325-P342 WeakPolarHBondContact O-CB 3.2Å; P325-P342 WeakPolarHBondContact O-CG 3.47Å; P325-P343 WeakPolarHBondContact CD-O 3.26Å; P325-Y345 WeakPolarHBondContact CA-OH 3.44Å; P325-Y345 HydrophobicContact CG-CE1 3.81Å; P325-Y345 HydrophobicContact CG-CE2 4.47Å
326	Y	96.5	Very high	94.2	Very high	41 Å²	41	53.6 Å²	53.6	16%	0.161	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-59.5	122.8	-175.4	-172.2	-84.6	0	0	0	111.2	K309 K312 H313 Y328 Y337	K309-Y326 HydrophobicContact CG-CD2 3.95Å; K309-Y326 HydrophobicContact CG-CE2 3.72Å; K312-Y326 HydrophobicContact CB-CE2 4.19Å; H313-Y326 HydrophobicContact CB-CD2 3.77Å; H313-Y326 HydrophobicContact CB-CE2 4.22Å; H313-Y326 PolarHBondContact CE1-N 3.45Å; H313-Y326 VanDerWaalsContact CE1-N 3.29Å; H313-Y326 AromaticContact CG-CD2 3.73Å; H313-Y326 VanDerWaalsContact NE2-CA 3.28Å; H313-Y326 WeakPolarHBondContact NE2-CA 3.36Å; H313-Y326 PolarHBondContact NE2-N 3.35Å; H313-Y326 VanDerWaalsContact NE2-N 3.1Å; Y326-Y328 AromaticContact CD1-CD1 3.75Å; Y326-Y328 HydrophobicContact CD1-CD1 3.75Å; Y326-Y328 HydrophobicContact CD1-CD2 4.08Å; Y326-Y328 AromaticContact CD1-CE1 3.55Å; Y326-Y328 HydrophobicContact CD1-CE1 3.55Å; Y326-Y328 AromaticContact CD1-CE2 3.89Å; Y326-Y328 HydrophobicContact CD1-CE2 3.89Å; Y326-Y328 HydrophobicContact CD1-CG 4.01Å; Y326-Y328 AromaticContact CD1-CZ 3.62Å; Y326-Y328 AromaticContact CE1-CD1 3.82Å; Y326-Y328 HydrophobicContact CE1-CD1 3.82Å; Y326-Y328 AromaticContact CE1-CE1 3.84Å; Y326-Y328 HydrophobicContact CE1-CE1 3.84Å; Y326-Y328 HydrophobicContact CE1-CG 4.34Å; Y326-Y328 VanDerWaalsContact O-CD2 3.28Å; Y326-Y328 WeakPolarHBondContact O-CD2 3.39Å; Y326-Y328 WeakPolarHBondContact O-CE2 3.09Å; Y326-Y337 PolarHBondContact O-OH 2.8Å; Y326-Y337 VanDerWaalsContact O-OH 3.05Å
327	S	95.3	Very high	94.4	Very high	29 Å²	29	54 Å²	54	20%	0.203	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-80.6	123.8	175.8	-176.2	0	0	0	0	110.4	Q316 P325 N333	Q316-S327 PolarHBondContact NE2-O 2.8Å; P325-S327 PolarHBondContact O-N 3.23Å; S327-N333 PolarHBondContact OG-ND2 3.28Å
328	Y	93.6	Very high	94.5	Very high	57 Å²	57	64.4 Å²	64.4	22%	0.224	32%	0.32	C	S	.	.			trans	-95.3	-157.1	173.3	-61	-85.3	0	0	0	111	K309 Y326 K332 N333 L336 Y337	K309-Y328 PolarHBondContact NZ-OH 3.44Å; Y326-Y328 AromaticContact CD1-CD1 3.75Å; Y326-Y328 HydrophobicContact CD1-CD1 3.75Å; Y326-Y328 HydrophobicContact CD1-CD2 4.08Å; Y326-Y328 AromaticContact CD1-CE1 3.55Å; Y326-Y328 HydrophobicContact CD1-CE1 3.55Å; Y326-Y328 AromaticContact CD1-CE2 3.89Å; Y326-Y328 HydrophobicContact CD1-CE2 3.89Å; Y326-Y328 HydrophobicContact CD1-CG 4.01Å; Y326-Y328 AromaticContact CD1-CZ 3.62Å; Y326-Y328 AromaticContact CE1-CD1 3.82Å; Y326-Y328 HydrophobicContact CE1-CD1 3.82Å; Y326-Y328 AromaticContact CE1-CE1 3.84Å; Y326-Y328 HydrophobicContact CE1-CE1 3.84Å; Y326-Y328 HydrophobicContact CE1-CG 4.34Å; Y326-Y328 VanDerWaalsContact O-CD2 3.28Å; Y326-Y328 WeakPolarHBondContact O-CD2 3.39Å; Y326-Y328 WeakPolarHBondContact O-CE2 3.09Å; Y328-K332 HydrophobicContact CD1-CD 3.71Å; Y328-K332 HydrophobicContact CD1-CG 4.48Å; Y328-K332 HydrophobicContact CD2-CD 4.3Å; Y328-K332 HydrophobicContact CD2-CG 4.26Å; Y328-K332 HydrophobicContact CE1-CD 4.41Å; Y328-K332 HydrophobicContact CG-CD 3.64Å; Y328-K332 HydrophobicContact CG-CG 3.9Å; Y328-N333 WeakPolarHBondContact CA-OD1 3.37Å; Y328-N333 WeakPolarHBondContact CB-OD1 3.49Å; Y328-N333 PolarHBondContact N-OD1 2.94Å; Y328-N333 PolarHBondContact O-ND2 2.85Å; Y328-L336 HydrophobicContact CD2-CD1 3.66Å; Y328-L336 HydrophobicContact CE2-CD1 3.67Å; Y328-Y337 HydrophobicContact CD2-CE2 4.44Å
329	S	91.6	Very high	94.7	Very high	75 Å²	75	67.5 Å²	67.5	52%	0.524	34%	0.337	S	S	.	.			trans	-65.9	154.2	167.8	64.2	0	0	0	0	110.7	N331 K332 N333	S329-N331 PolarHBondContact O-N 2.88Å; S329-N331 VanDerWaalsContact O-N 3.17Å; S329-K332 PolarHBondContact O-N 3.45Å; S329-K332 WeakPolarHBondContact OG-CB 3.33Å; S329-K332 PolarHBondContact OG-N 3.26Å; S329-N333 PolarHBondContact O-N 3.44Å
330	S	91.2	Very high	94.9	Very high	57 Å²	57	67.7 Å²	67.7	40%	0.399	34%	0.339	S	S	.	.	H	α-helix	trans	-50.1	-43.4	179.1	-177.3	0	0	0	0	112.8	N333 M334 H340	S330-N333 PolarHBondContact O-N 3.29Å; S330-M334 WeakPolarHBondContact O-CG 3.34Å; S330-M334 PolarHBondContact O-N 3.05Å; S330-H340 PolarHBondContact OG-ND1 3.05Å
331	N	95	Very high	95	Very high	122 Å²	122	68.8 Å²	68.8	65%	0.652	34%	0.34	S	S	*	.	H	α-helix	trans	-65.4	-42.2	177.2	-68.2	-9.2	0	0	0	112.7	S329 M334 Q335	S329-N331 PolarHBondContact O-N 2.88Å; S329-N331 VanDerWaalsContact O-N 3.17Å; N331-M334 PolarHBondContact O-N 2.97Å; N331-Q335 WeakPolarHBondContact O-CG 3.19Å; N331-Q335 PolarHBondContact O-N 3.16Å; N331-Q335 VanDerWaalsContact O-N 3.11Å
332	K	94.7	Very high	95.2	Very high	81 Å²	81	68.2 Å²	68.2	35%	0.352	33%	0.333	S	S	.	.	H	α-helix	trans	-70.6	-35.7	178.5	-176.8	165.5	175.8	-177.5	0	111.3	Y328 S329 Q335 L336	Y328-K332 HydrophobicContact CD1-CD 3.71Å; Y328-K332 HydrophobicContact CD1-CG 4.48Å; Y328-K332 HydrophobicContact CD2-CD 4.3Å; Y328-K332 HydrophobicContact CD2-CG 4.26Å; Y328-K332 HydrophobicContact CE1-CD 4.41Å; Y328-K332 HydrophobicContact CG-CD 3.64Å; Y328-K332 HydrophobicContact CG-CG 3.9Å; S329-K332 PolarHBondContact O-N 3.45Å; S329-K332 WeakPolarHBondContact OG-CB 3.33Å; S329-K332 PolarHBondContact OG-N 3.26Å; K332-Q335 PolarHBondContact O-N 3.1Å; K332-L336 HydrophobicContact CD-CD1 4.48Å; K332-L336 HydrophobicContact CG-CD1 3.82Å; K332-L336 HydrophobicContact CG-CG 4.32Å; K332-L336 WeakPolarHBondContact O-CB 3.37Å; K332-L336 WeakPolarHBondContact O-CG 3.46Å; K332-L336 PolarHBondContact O-N 3.29Å
333	N	97.1	Very high	95.3	Very high	2 Å²	2	69.2 Å²	69.2	1%	0.011	35%	0.346	C	S	.	.	H	α-helix	trans	-63.2	-45	172.1	-73.5	-5.9	0	0	0	111.3	S327 Y328 S329 S330 Q335 L336 Y337 R338 D339 H340	S327-N333 PolarHBondContact OG-ND2 3.28Å; Y328-N333 WeakPolarHBondContact CA-OD1 3.37Å; Y328-N333 WeakPolarHBondContact CB-OD1 3.49Å; Y328-N333 PolarHBondContact N-OD1 2.94Å; Y328-N333 PolarHBondContact O-ND2 2.85Å; S329-N333 PolarHBondContact O-N 3.44Å; S330-N333 PolarHBondContact O-N 3.29Å; N333-Q335 VanDerWaalsContact C-N 3.26Å; N333-Q335 PolarHBondContact O-N 3.01Å; N333-L336 PolarHBondContact O-N 3.45Å; N333-Y337 HydrophobicContact CB-CD2 4.03Å; N333-Y337 WeakPolarHBondContact O-CA 3.4Å; N333-Y337 WeakPolarHBondContact O-CB 3.41Å; N333-Y337 PolarHBondContact O-N 3.44Å; N333-R338 PolarHBondContact O-N 2.74Å; N333-D339 CarbonylContact C-O 3.08Å; N333-D339 WeakPolarHBondContact CB-O 3.04Å; N333-H340 WeakPolarHBondContact CB-O 3.28Å; N333-H340 PolarHBondContact ND2-O 2.98Å
334	M	96.5	Very high	95.3	Very high	74 Å²	74	75.9 Å²	75.9	37%	0.365	37%	0.371	S	S	.	.	H	α-helix	trans	-59.9	-36.4	175.1	-79.7	-56.2	-46.6	0	0	112.6	S330 N331 R338 D339	S330-M334 WeakPolarHBondContact O-CG 3.34Å; S330-M334 PolarHBondContact O-N 3.05Å; N331-M334 PolarHBondContact O-N 2.97Å; M334-R338 VanDerWaalsContact O-CA 3.25Å; M334-R338 WeakPolarHBondContact O-CA 3.28Å; M334-R338 PolarHBondContact O-N 2.65Å; M334-R338 VanDerWaalsContact O-N 3.17Å; M334-D339 PolarHBondContact N-O 3.11Å; M334-D339 WeakPolarHBondContact SD-CA 3.22Å
335	Q	96.3	Very high	95.4	Very high	159 Å²	159	76.2 Å²	76.2	74%	0.743	37%	0.372	S	S	*	.	H	α-helix	trans	-70.1	-42.4	176.2	-70.8	170.3	10.5	0	0	112.8	N331 K332 N333	N331-Q335 WeakPolarHBondContact O-CG 3.19Å; N331-Q335 PolarHBondContact O-N 3.16Å; N331-Q335 VanDerWaalsContact O-N 3.11Å; K332-Q335 PolarHBondContact O-N 3.1Å; N333-Q335 VanDerWaalsContact C-N 3.26Å; N333-Q335 PolarHBondContact O-N 3.01Å
336	L	94.8	Very high	95.4	Very high	95 Å²	95	79.6 Å²	79.6	50%	0.497	39%	0.389	S	S	.	.	H	α-helix	trans	-84.4	-42.1	-174.8	-68.1	175.1	0	0	0	113.3	Y328 K332 N333	Y328-L336 HydrophobicContact CD2-CD1 3.66Å; Y328-L336 HydrophobicContact CE2-CD1 3.67Å; K332-L336 HydrophobicContact CD-CD1 4.48Å; K332-L336 HydrophobicContact CG-CD1 3.82Å; K332-L336 HydrophobicContact CG-CG 4.32Å; K332-L336 WeakPolarHBondContact O-CB 3.37Å; K332-L336 WeakPolarHBondContact O-CG 3.46Å; K332-L336 PolarHBondContact O-N 3.29Å; N333-L336 PolarHBondContact O-N 3.45Å
337	Y	95.6	Very high	95.5	Very high	59 Å²	59	77.8 Å²	77.8	23%	0.231	38%	0.382	C	S	.	.	H	α-helix	trans	-113.2	-10	-168.5	-51.9	-48	0	0	0	113.6	P325 Y326 Y328 N333 D339 P342	P325-Y337 HydrophobicContact CB-CE1 4.28Å; Y326-Y337 PolarHBondContact O-OH 2.8Å; Y326-Y337 VanDerWaalsContact O-OH 3.05Å; Y328-Y337 HydrophobicContact CD2-CE2 4.44Å; N333-Y337 HydrophobicContact CB-CD2 4.03Å; N333-Y337 WeakPolarHBondContact O-CA 3.4Å; N333-Y337 WeakPolarHBondContact O-CB 3.41Å; N333-Y337 PolarHBondContact O-N 3.44Å; Y337-D339 PolarHBondContact O-N 3.11Å; Y337-P342 HydrophobicContact CD2-CB 3.79Å; Y337-P342 HydrophobicContact CE2-CB 3.67Å; Y337-P342 HydrophobicContact CE2-CG 4.46Å; Y337-P342 HydrophobicContact CG-CB 4.33Å
338	R	96	Very high	95.6	Very high	220 Å²	220	79.4 Å²	79.4	83%	0.83	39%	0.393	S	S	*	.	S	Bend	trans	58.9	23.2	-172.4	-52.5	-179	-179.9	-177.4	-0.1	113.8	N333 M334	N333-R338 PolarHBondContact O-N 2.74Å; M334-R338 VanDerWaalsContact O-CA 3.25Å; M334-R338 WeakPolarHBondContact O-CA 3.28Å; M334-R338 PolarHBondContact O-N 2.65Å; M334-R338 VanDerWaalsContact O-N 3.17Å
339	D	95.1	Very high	95.9	Very high	88 Å²	88	80 Å²	80	47%	0.471	40%	0.4	S	S	.	.	S	Bend	trans	-148.1	158.5	176.7	-163.1	-27.5	0	0	0	108.4	N333 M334 Y337 L341	N333-D339 CarbonylContact C-O 3.08Å; N333-D339 WeakPolarHBondContact CB-O 3.04Å; M334-D339 PolarHBondContact N-O 3.11Å; M334-D339 WeakPolarHBondContact SD-CA 3.22Å; Y337-D339 PolarHBondContact O-N 3.11Å; D339-L341 WeakPolarHBondContact CB-O 3.28Å; D339-L341 PolarHBondContact O-N 3.34Å; D339-L341 PolarHBondContact OD1-N 3.11Å
340	H	94.2	Very high	96.2	Very high	109 Å²	109	76.4 Å²	76.4	51%	0.505	38%	0.375	S	S	.	.	S	Bend	trans	-68.6	-20.9	175.4	-65	-61.1	0	0	0	112.4	S330 N333	S330-H340 PolarHBondContact OG-ND1 3.05Å; N333-H340 WeakPolarHBondContact CB-O 3.28Å; N333-H340 PolarHBondContact ND2-O 2.98Å
341	L	92.9	Very high	96.6	Very high	85 Å²	85	77.1 Å²	77.1	45%	0.445	38%	0.377	S	S	.	.	S	Bend	trans	-121.9	144.9	176.5	-63.5	176.7	0	0	0	111	D339	D339-L341 WeakPolarHBondContact CB-O 3.28Å; D339-L341 PolarHBondContact O-N 3.34Å; D339-L341 PolarHBondContact OD1-N 3.11Å
342	P	95.9	Very high	96.7	Very high	7 Å²	7	71.4 Å²	71.4	5%	0.045	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-61.9	142.1	171.7	24.7	-31.9	0	0	0	111.2	R322 A324 P325 Y337	R322-P342 PolarHBondContact NH2-O 3.12Å; A324-P342 HydrophobicContact CB-CB 4.15Å; A324-P342 HydrophobicContact CB-CG 3.99Å; P325-P342 HydrophobicContact CB-CB 4.23Å; P325-P342 WeakPolarHBondContact O-CB 3.2Å; P325-P342 WeakPolarHBondContact O-CG 3.47Å; Y337-P342 HydrophobicContact CD2-CB 3.79Å; Y337-P342 HydrophobicContact CE2-CB 3.67Å; Y337-P342 HydrophobicContact CE2-CG 4.46Å; Y337-P342 HydrophobicContact CG-CB 4.33Å
343	P	96.2	Very high	96.9	Very high	75 Å²	75	69.9 Å²	69.9	49%	0.487	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-64.7	146.3	173.8	28.5	-35	0	0	0	110	A324 P325	A324-P343 WeakPolarHBondContact CB-O 3.34Å; P325-P343 WeakPolarHBondContact CD-O 3.26Å
344	R	97.7	Very high	97	Very high	142 Å²	142	69.9 Å²	69.9	54%	0.536	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-67.4	147	175.7	-68.5	-176.2	174.4	112.3	-7	110.1	F323 N346	F323-R344 WeakPolarHBondContact O-CA 3.49Å; R344-N346 PolarHBondContact O-N 3.31Å
345	Y	98.4	Very high	97.1	Very high	11 Å²	11	67 Å²	67	4%	0.043	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-62.6	134.7	165.1	-61.5	-70.8	0	0	0	109.1	W167 H168 V205 M209 F323 A324 P325 L347	W167-Y345 AromaticContact CH2-CE2 3.71Å; W167-Y345 HydrophobicContact CH2-CE2 3.71Å; W167-Y345 HydrophobicContact CZ3-CD2 4.49Å; W167-Y345 AromaticContact CZ3-CE2 3.47Å; W167-Y345 HydrophobicContact CZ3-CE2 3.47Å; W167-Y345 VanDerWaalsContact CZ3-CE2 3.47Å; W167-Y345 AromaticContact CZ3-CZ 3.86Å; W167-Y345 WeakPolarHBondContact CZ3-OH 3.34Å; H168-Y345 AromaticContact ND1-CE1 3.71Å; H168-Y345 AromaticContact ND1-CZ 3.63Å; H168-Y345 PolarHBondContact ND1-OH 3.04Å; V205-Y345 HydrophobicContact CB-CE1 4.44Å; V205-Y345 HydrophobicContact CG1-CE1 3.88Å; V205-Y345 HydrophobicContact CG2-CD1 4.48Å; V205-Y345 HydrophobicContact CG2-CD2 4.29Å; V205-Y345 HydrophobicContact CG2-CE1 4.04Å; V205-Y345 HydrophobicContact CG2-CE2 3.82Å; M209-Y345 HydrophobicContact CG-CD1 3.71Å; M209-Y345 HydrophobicContact CG-CE1 3.69Å; M209-Y345 HydrophobicContact SD-CD1 3.65Å; M209-Y345 HydrophobicContact SD-CE1 3.77Å; F323-Y345 AromaticContact CD1-CD2 3.51Å; F323-Y345 HydrophobicContact CD1-CD2 3.51Å; F323-Y345 HydrophobicContact CD1-CE2 4.44Å; F323-Y345 HydrophobicContact CD1-CG 4.17Å; F323-Y345 HydrophobicContact CD2-CD2 4.25Å; F323-Y345 HydrophobicContact CD2-CE2 4.5Å; F323-Y345 AromaticContact CE1-CD2 3.53Å; F323-Y345 HydrophobicContact CE1-CD2 3.53Å; F323-Y345 HydrophobicContact CE1-CE2 4.27Å; F323-Y345 HydrophobicContact CE1-CG 4.09Å; F323-Y345 HydrophobicContact CE2-CD2 4.23Å; F323-Y345 HydrophobicContact CE2-CE2 4.28Å; F323-Y345 AromaticContact CG-CD2 3.88Å; F323-Y345 HydrophobicContact CG-CD2 3.88Å; F323-Y345 AromaticContact CZ-CD2 3.91Å; F323-Y345 HydrophobicContact CZ-CD2 3.91Å; F323-Y345 HydrophobicContact CZ-CE2 4.19Å; F323-Y345 WeakPolarHBondContact O-CD2 3.22Å; F323-Y345 PolarHBondContact O-N 3.44Å; A324-Y345 WeakPolarHBondContact O-CE2 3.35Å; P325-Y345 WeakPolarHBondContact CA-OH 3.44Å; P325-Y345 HydrophobicContact CG-CE1 3.81Å; P325-Y345 HydrophobicContact CG-CE2 4.47Å; Y345-L347 PolarHBondContact O-N 3.24Å
346	N	98.3	Very high	97.2	Very high	83 Å²	83	59.5 Å²	59.5	44%	0.444	30%	0.295	S	S	.	.			trans	-84.1	93.3	176.9	-172.5	4.5	0	0	0	109.9	S208 R344 S348 L349	S208-N346 WeakPolarHBondContact CB-O 3.49Å; R344-N346 PolarHBondContact O-N 3.31Å; N346-S348 PolarHBondContact ND2-OG 3.47Å; N346-S348 PolarHBondContact O-N 3.1Å; N346-S348 WeakPolarHBondContact OD1-CB 3.33Å; N346-S348 PolarHBondContact OD1-N 3.32Å; N346-S348 PolarHBondContact OD1-OG 3.14Å; N346-L349 HydrophobicContact CB-CD1 4.02Å; N346-L349 HydrophobicContact CB-CG 4.13Å; N346-L349 WeakPolarHBondContact O-CB 3.33Å; N346-L349 PolarHBondContact O-N 2.96Å; N346-L349 VanDerWaalsContact O-N 3.11Å
347	L	98.6	Very high	97.4	Very high	3 Å²	3	55 Å²	55	2%	0.016	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-65.6	-17.5	-180	-67.1	-175.2	0	0	0	113.3	F204 V227 F323 Y345 L349 V350 M373 D376 L377 G378	F204-L347 HydrophobicContact CB-CD2 3.9Å; V227-L347 HydrophobicContact CG1-CD1 4.1Å; F323-L347 HydrophobicContact CD1-CD1 4.42Å; F323-L347 HydrophobicContact CD1-CD2 3.96Å; F323-L347 HydrophobicContact CD1-CG 4.37Å; F323-L347 HydrophobicContact CE1-CD2 3.9Å; Y345-L347 PolarHBondContact O-N 3.24Å; L347-L349 PolarHBondContact O-N 3.03Å; L347-L349 VanDerWaalsContact O-N 3.14Å; L347-V350 HydrophobicContact CD2-CG2 4.21Å; L347-V350 WeakPolarHBondContact O-CB 3.41Å; L347-V350 WeakPolarHBondContact O-CG2 3.5Å; L347-V350 PolarHBondContact O-N 2.74Å; L347-M373 HydrophobicContact CD1-CG 4.17Å; L347-D376 CarbonylContact C-O 3.57Å; L347-D376 HydrophobicContact CB-CB 4.06Å; L347-D376 VanDerWaalsContact CB-O 3.3Å; L347-D376 WeakPolarHBondContact CB-O 3.33Å; L347-D376 HydrophobicContact CD1-CB 4.09Å; L347-L377 HydrophobicContact CB-CD2 4.27Å; L347-L377 HydrophobicContact CD2-CD2 4.39Å; L347-G378 PolarHBondContact O-N 3.48Å; L347-G378 VanDerWaalsContact O-N 3.13Å
348	S	98.5	Very high	97.6	Very high	63 Å²	63	52.9 Å²	52.9	44%	0.441	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-65.1	-17.1	173.5	91.8	0	0	0	0	112.5	N346 V350 D376	N346-S348 PolarHBondContact ND2-OG 3.47Å; N346-S348 PolarHBondContact O-N 3.1Å; N346-S348 WeakPolarHBondContact OD1-CB 3.33Å; N346-S348 PolarHBondContact OD1-N 3.32Å; N346-S348 PolarHBondContact OD1-OG 3.14Å; S348-V350 VanDerWaalsContact C-N 3.33Å; S348-D376 PolarHBondContact N-O 3.32Å; S348-D376 VanDerWaalsContact N-O 3.08Å
349	L	98.7	Very high	97.6	Very high	69 Å²	69	42.4 Å²	42.4	36%	0.361	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-83.4	-8.7	175	-60.8	178.5	0	0	0	113	S208 P211 N214 N346 L347 T351	S208-L349 WeakPolarHBondContact O-CD1 3.34Å; P211-L349 HydrophobicContact CG-CB 4.43Å; P211-L349 HydrophobicContact CG-CD1 4.17Å; N214-L349 PolarHBondContact ND2-O 2.79Å; N214-L349 PolarHBondContact OD1-O 3.48Å; N346-L349 HydrophobicContact CB-CD1 4.02Å; N346-L349 HydrophobicContact CB-CG 4.13Å; N346-L349 WeakPolarHBondContact O-CB 3.33Å; N346-L349 PolarHBondContact O-N 2.96Å; N346-L349 VanDerWaalsContact O-N 3.11Å; L347-L349 PolarHBondContact O-N 3.03Å; L347-L349 VanDerWaalsContact O-N 3.14Å; L349-T351 PolarHBondContact O-N 2.79Å; L349-T351 VanDerWaalsContact O-N 3.16Å
350	V	98.8	Very high	97.6	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	22%	0.222	C	C	.	.			trans	-79.3	94.6	170.8	-173	0	0	0	0	108.2	F204 C207 L347 S348 L377 G378 N379	F204-V350 HydrophobicContact CB-CG2 4.43Å; F204-V350 HydrophobicContact CD1-CG1 3.85Å; F204-V350 HydrophobicContact CD1-CG2 4.22Å; F204-V350 HydrophobicContact CE1-CG1 4.19Å; C207-V350 HydrophobicContact CB-CB 4.24Å; C207-V350 HydrophobicContact CB-CG1 4.02Å; C207-V350 HydrophobicContact CB-CG2 3.87Å; L347-V350 HydrophobicContact CD2-CG2 4.21Å; L347-V350 WeakPolarHBondContact O-CB 3.41Å; L347-V350 WeakPolarHBondContact O-CG2 3.5Å; L347-V350 PolarHBondContact O-N 2.74Å; S348-V350 VanDerWaalsContact C-N 3.33Å; V350-L377 HydrophobicContact CB-CD2 3.77Å; V350-L377 HydrophobicContact CG1-CD2 3.93Å; V350-L377 HydrophobicContact CG2-CD2 4.02Å; V350-G378 CarbonylContact O-C 3.58Å; V350-G378 WeakPolarHBondContact O-CA 3.36Å; V350-G378 PolarHBondContact O-N 2.68Å; V350-G378 VanDerWaalsContact O-N 3.17Å; V350-N379 PolarHBondContact O-N 2.68Å
351	T	98.6	Very high	97.7	Very high	72 Å²	72	38.1 Å²	38.1	44%	0.442	21%	0.207	S	C	.	.			trans	-102.3	-5.3	-175.2	53.4	0	0	0	0	113.2	N214 L349 N379	N214-T351 VanDerWaalsContact CB-OG1 3.27Å; N214-T351 WeakPolarHBondContact CB-OG1 3.29Å; N214-T351 PolarHBondContact OD1-N 3.06Å; N214-T351 PolarHBondContact OD1-OG1 3.03Å; L349-T351 PolarHBondContact O-N 2.79Å; L349-T351 VanDerWaalsContact O-N 3.16Å; T351-N379 WeakPolarHBondContact O-CB 3.34Å; T351-N379 PolarHBondContact O-ND2 3.08Å
352	V	98.7	Very high	97.7	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.012	19%	0.187	C	C	.	.	S	Bend	trans	-58.6	130.8	171.4	179.6	0	0	0	0	110	F203 N214 V217 M220 T354	F203-V352 HydrophobicContact CE1-CB 4.4Å; F203-V352 HydrophobicContact CE1-CG2 4.47Å; F203-V352 HydrophobicContact CZ-CB 4.26Å; F203-V352 HydrophobicContact CZ-CG1 4.19Å; F203-V352 HydrophobicContact CZ-CG2 4.05Å; N214-V352 HydrophobicContact CB-CG2 3.95Å; N214-V352 WeakPolarHBondContact OD1-CG2 3.27Å; N214-V352 PolarHBondContact OD1-N 3.45Å; V217-V352 HydrophobicContact CB-CG1 4.01Å; V217-V352 HydrophobicContact CB-CG2 3.91Å; V217-V352 HydrophobicContact CG1-CG1 3.7Å; V217-V352 HydrophobicContact CG1-CG2 4.43Å; M220-V352 HydrophobicContact CB-CG1 3.93Å; V352-T354 PolarHBondContact O-N 3.38Å; V352-T354 PolarHBondContact O-OG1 3.27Å
353	P	98.7	Very high	97.5	Very high	49 Å²	49	35.8 Å²	35.8	32%	0.318	20%	0.195	S	C	.	.			trans	-52.3	109.1	171.5	-27.5	35.8	0	0	0	111.4	S219 M220 T381	S219-P353 WeakPolarHBondContact CA-O 3.44Å; M220-P353 PolarHBondContact N-O 2.96Å; P353-T381 HydrophobicContact CB-CG2 3.71Å
354	T	98.8	Very high	97.3	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	127.9	-172.5	-62.5	0	0	0	0	110.6	F204 M220 A222 V352 V356 L377 N379 T381	F204-T354 HydrophobicContact CE1-CG2 4.33Å; F204-T354 HydrophobicContact CZ-CG2 4.31Å; M220-T354 HydrophobicContact CB-CG2 4.35Å; M220-T354 HydrophobicContact CG-CG2 3.94Å; M220-T354 CarbonylContact O-C 3.33Å; M220-T354 WeakPolarHBondContact O-CA 3.37Å; A222-T354 HydrophobicContact CB-CG2 4.27Å; V352-T354 PolarHBondContact O-N 3.38Å; V352-T354 PolarHBondContact O-OG1 3.27Å; T354-V356 HydrophobicContact CG2-CG2 3.89Å; T354-L377 HydrophobicContact CG2-CD1 4.28Å; T354-N379 PolarHBondContact N-O 2.76Å; T354-T381 PolarHBondContact O-N 3.09Å; T354-T381 PolarHBondContact O-OG1 3.42Å
355	F	98.8	Very high	97.1	Very high	15 Å²	15	28 Å²	28	7%	0.066	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.1	170.9	-160.2	-73.5	0	0	0	109.1	M220 A222 Y357 G382 V413	M220-F355 PolarHBondContact O-N 3.46Å; A222-F355 PolarHBondContact N-O 2.8Å; F355-Y357 HydrophobicContact CB-CE2 4.36Å; F355-Y357 HydrophobicContact CD1-CD1 4.43Å; F355-Y357 HydrophobicContact CD1-CD2 4.21Å; F355-Y357 AromaticContact CD1-CE1 3.82Å; F355-Y357 HydrophobicContact CD1-CE1 3.82Å; F355-Y357 AromaticContact CD1-CE2 3.58Å; F355-Y357 HydrophobicContact CD1-CE2 3.58Å; F355-Y357 AromaticContact CD1-CZ 3.34Å; F355-Y357 WeakPolarHBondContact CD1-OH 3.43Å; F355-Y357 HydrophobicContact CE1-CD1 4.36Å; F355-Y357 AromaticContact CE1-CE1 3.79Å; F355-Y357 HydrophobicContact CE1-CE1 3.79Å; F355-Y357 HydrophobicContact CE1-CE2 4.38Å; F355-Y357 AromaticContact CE1-CZ 3.79Å; F355-Y357 HydrophobicContact CG-CE2 4.38Å; F355-G382 WeakPolarHBondContact CA-O 3.38Å; F355-V413 HydrophobicContact CB-CG1 4.07Å; F355-V413 HydrophobicContact CD1-CG2 4.32Å; F355-V413 HydrophobicContact CD2-CB 4.36Å; F355-V413 HydrophobicContact CD2-CG1 3.55Å; F355-V413 HydrophobicContact CD2-CG2 3.81Å; F355-V413 HydrophobicContact CE1-CG2 4.06Å; F355-V413 HydrophobicContact CE2-CB 4.5Å; F355-V413 HydrophobicContact CE2-CG1 4.12Å; F355-V413 HydrophobicContact CE2-CG2 3.5Å; F355-V413 HydrophobicContact CG-CG1 3.81Å; F355-V413 HydrophobicContact CG-CG2 4.2Å; F355-V413 HydrophobicContact CZ-CG2 3.65Å
356	V	98.9	Very high	96.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	130.3	-168.9	-177.1	0	0	0	0	111.5	A222 P225 T354 Y358 V370 M373 G382 K383 Y384	A222-V356 HydrophobicContact CB-CG2 4.27Å; P225-V356 HydrophobicContact CG-CG1 3.86Å; T354-V356 HydrophobicContact CG2-CG2 3.89Å; V356-Y358 HydrophobicContact CG1-CD1 4.38Å; V356-V370 HydrophobicContact CG1-CG1 3.6Å; V356-M373 HydrophobicContact CG1-CE 4.25Å; V356-M373 HydrophobicContact CG2-CE 4.21Å; V356-G382 PolarHBondContact N-O 2.94Å; V356-K383 HydrophobicContact CB-CG 4.37Å; V356-K383 CarbonylContact O-C 3.5Å; V356-K383 VanDerWaalsContact O-CA 3.3Å; V356-K383 WeakPolarHBondContact O-CA 3.43Å; V356-Y384 PolarHBondContact O-N 2.86Å
357	Y	98.8	Very high	96.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	129.1	176.8	-50.6	-100.4	0	0	0	109	Q221 A222 L223 A224 F355 Y384 L406 R409 M410	Q221-Y357 HydrophobicContact CB-CE2 4.11Å; Q221-Y357 VanDerWaalsContact OE1-CE2 3.28Å; Q221-Y357 PolarHBondContact OE1-OH 3.41Å; A222-Y357 PolarHBondContact O-N 3.44Å; L223-Y357 HydrophobicContact CD2-CD2 3.56Å; L223-Y357 HydrophobicContact CD2-CE2 4.22Å; L223-Y357 HydrophobicContact CD2-CG 3.86Å; A224-Y357 PolarHBondContact N-O 3.5Å; F355-Y357 HydrophobicContact CB-CE2 4.36Å; F355-Y357 HydrophobicContact CD1-CD1 4.43Å; F355-Y357 HydrophobicContact CD1-CD2 4.21Å; F355-Y357 AromaticContact CD1-CE1 3.82Å; F355-Y357 HydrophobicContact CD1-CE1 3.82Å; F355-Y357 AromaticContact CD1-CE2 3.58Å; F355-Y357 HydrophobicContact CD1-CE2 3.58Å; F355-Y357 AromaticContact CD1-CZ 3.34Å; F355-Y357 WeakPolarHBondContact CD1-OH 3.43Å; F355-Y357 HydrophobicContact CE1-CD1 4.36Å; F355-Y357 AromaticContact CE1-CE1 3.79Å; F355-Y357 HydrophobicContact CE1-CE1 3.79Å; F355-Y357 HydrophobicContact CE1-CE2 4.38Å; F355-Y357 AromaticContact CE1-CZ 3.79Å; F355-Y357 HydrophobicContact CG-CE2 4.38Å; Y357-Y384 WeakPolarHBondContact CA-O 3.49Å; Y357-Y384 AromaticContact CD1-CD1 3.86Å; Y357-Y384 HydrophobicContact CD1-CD1 3.86Å; Y357-Y384 HydrophobicContact CD1-CG 4.3Å; Y357-L406 HydrophobicContact CD1-CD1 4.47Å; Y357-L406 HydrophobicContact CD1-CD2 4.46Å; Y357-L406 HydrophobicContact CD1-CG 4.15Å; Y357-R409 HydrophobicContact CE1-CG 4.42Å; Y357-M410 HydrophobicContact CE1-CB 4.05Å; Y357-M410 VanDerWaalsContact OH-CA 3.26Å; Y357-M410 WeakPolarHBondContact OH-CA 3.28Å
358	Y	98.4	Very high	96.7	Very high	16 Å²	16	33.1 Å²	33.1	6%	0.063	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	163.8	-172.8	63.7	-59.3	0	0	0	109.7	V356 P367 V370 E371 K383 Y384 L385 V386	V356-Y358 HydrophobicContact CG1-CD1 4.38Å; Y358-P367 HydrophobicContact CD2-CB 4.06Å; Y358-P367 HydrophobicContact CE2-CB 4.08Å; Y358-V370 HydrophobicContact CD1-CG1 4.3Å; Y358-V370 HydrophobicContact CD2-CB 4.1Å; Y358-V370 HydrophobicContact CD2-CG1 4.01Å; Y358-V370 HydrophobicContact CG-CB 4.35Å; Y358-V370 HydrophobicContact CG-CG1 3.85Å; Y358-E371 HydrophobicContact CE2-CG 4.48Å; Y358-E371 VanDerWaalsContact CZ-OE1 3.27Å; Y358-E371 PolarHBondContact OH-OE1 2.85Å; Y358-K383 HydrophobicContact CE1-CB 4.04Å; Y358-Y384 WeakPolarHBondContact CD1-O 3.4Å; Y358-Y384 PolarHBondContact N-O 2.9Å; Y358-Y384 VanDerWaalsContact N-O 3.11Å; Y358-L385 HydrophobicContact CD2-CD1 3.77Å; Y358-L385 HydrophobicContact CE1-CB 4.02Å; Y358-L385 HydrophobicContact CE2-CB 4.37Å; Y358-L385 HydrophobicContact CE2-CD1 3.73Å; Y358-L385 HydrophobicContact CG-CD1 4.27Å; Y358-L385 CarbonylContact O-C 3.59Å; Y358-L385 WeakPolarHBondContact O-CA 3.49Å; Y358-V386 PolarHBondContact O-N 3.43Å
359	S	97.6	Very high	96.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.162	C	C	.	.			trans	-142.2	162.2	-174.9	67.2	0	0	0	0	112.1	P367 F391	S359-P367 WeakPolarHBondContact O-CG 3.38Å; S359-F391 WeakPolarHBondContact CB-O 3.48Å; S359-F391 PolarHBondContact OG-O 2.88Å
360	T	95	Very high	96.6	Very high	68 Å²	68	27.2 Å²	27.2	42%	0.417	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-28.1	-174.3	47.6	0	0	0	0	114.4	L385 K389	T360-L385 HydrophobicContact CG2-CD1 4.01Å; T360-L385 HydrophobicContact CG2-CD2 4.16Å; T360-L385 HydrophobicContact CG2-CG 4.44Å; T360-K389 WeakPolarHBondContact OG1-CA 3.46Å; T360-K389 PolarHBondContact OG1-O 2.81Å
361	N	94.5	Very high	96.6	Very high	39 Å²	39	29.8 Å²	29.8	21%	0.209	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	20.8	-179.4	-172	49.3	0	0	0	112.2	G284 R285 L363 K389 E390	G284-N361 WeakPolarHBondContact CA-O 3.47Å; R285-N361 PolarHBondContact O-ND2 3.11Å; N361-L363 PolarHBondContact O-N 3.36Å; N361-K389 WeakPolarHBondContact CB-O 3.45Å; N361-E390 PolarHBondContact ND2-O 3.34Å
362	D	94.3	Very high	96.5	Very high	3 Å²	3	29 Å²	29	2%	0.016	15%	0.154	C	C	.	.			trans	-83.2	109.2	169.2	-171.4	-26.3	0	0	0	109.9	A224 L364 C365 H393	A224-D362 WeakPolarHBondContact CB-OD2 3.4Å; D362-L364 VanDerWaalsContact C-N 3.29Å; D362-L364 WeakPolarHBondContact OD1-CA 3.35Å; D362-L364 PolarHBondContact OD1-N 3.17Å; D362-C365 PolarHBondContact OD1-N 3.46Å; D362-C365 WeakPolarHBondContact OD2-CB 3.33Å; D362-H393 VanDerWaalsContact CG-ND1 3.31Å; D362-H393 WeakPolarHBondContact OD1-CB 3.39Å; D362-H393 IonicContact OD1-CG 3.56Å; D362-H393 IonicContact OD1-ND1 3.5Å; D362-H393 PolarHBondContact OD1-ND1 2.91Å; D362-H393 VanDerWaalsContact OD1-ND1 3.17Å; D362-H393 IonicContact OD2-CE1 2.85Å; D362-H393 IonicContact OD2-CG 3.42Å; D362-H393 IonicContact OD2-ND1 3.61Å; D362-H393 PolarHBondContact OD2-ND1 3.46Å
363	L	91.3	Very high	96.5	Very high	40 Å²	40	28.9 Å²	28.9	21%	0.209	15%	0.154	C	C	.	.	S	Bend	trans	-82.5	-6.3	-177.8	-58.4	173.8	0	0	0	113.5	T232 I282 N361	T232-L363 WeakPolarHBondContact CG2-O 3.42Å; I282-L363 WeakPolarHBondContact O-CB 3.44Å; N361-L363 PolarHBondContact O-N 3.36Å
364	L	91.7	Very high	96.5	Very high	54 Å²	54	27 Å²	27	28%	0.283	14%	0.142	S	C	.	.	S	Bend	trans	-102.7	-33.6	177.9	-65.9	169.9	0	0	0	111.7	I238 I282 V283 D362 H393	I238-L364 HydrophobicContact CD1-CD2 3.69Å; I282-L364 WeakPolarHBondContact O-CG 3.42Å; V283-L364 HydrophobicContact CG1-CD1 4.4Å; D362-L364 VanDerWaalsContact C-N 3.29Å; D362-L364 WeakPolarHBondContact OD1-CA 3.35Å; D362-L364 PolarHBondContact OD1-N 3.17Å; L364-H393 HydrophobicContact CD1-CB 4.41Å
365	C	94.1	Very high	96.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-123.9	73.5	-178.4	-52.8	0	0	0	0	110.2	A224 D362 V370 H393	A224-C365 PolarHBondContact O-SG 3.07Å; D362-C365 PolarHBondContact OD1-N 3.46Å; D362-C365 WeakPolarHBondContact OD2-CB 3.33Å; C365-V370 HydrophobicContact CB-CG2 4.16Å; C365-H393 VanDerWaalsContact SG-CE1 3.55Å
366	H	94.5	Very high	96.4	Very high	59 Å²	59	36.3 Å²	36.3	27%	0.273	19%	0.192	S	C	.	.			trans	-59.4	138.8	-177.6	-175.9	-91.3	0	0	0	111.3	E231 T232 K368 D369 V370	E231-H366 HydrophobicContact CB-CB 3.96Å; T232-H366 HydrophobicContact CG2-CB 3.94Å; H366-K368 VanDerWaalsContact C-N 3.31Å; H366-K368 PolarHBondContact ND1-N 2.9Å; H366-K368 PolarHBondContact O-N 3.41Å; H366-K368 VanDerWaalsContact O-N 3.12Å; H366-D369 WeakPolarHBondContact O-CB 3.48Å; H366-D369 PolarHBondContact O-N 3.36Å; H366-V370 PolarHBondContact O-N 3.47Å; H366-V370 VanDerWaalsContact O-N 3.14Å
367	P	96.1	Very high	96.4	Very high	24 Å²	24	37 Å²	37	16%	0.156	20%	0.196	C	C	.	.	H	α-helix	trans	-51.2	-43.2	-174.8	-31.7	35.2	0	0	0	115	Y358 S359 D369 V370 E371	Y358-P367 HydrophobicContact CD2-CB 4.06Å; Y358-P367 HydrophobicContact CE2-CB 4.08Å; S359-P367 WeakPolarHBondContact O-CG 3.38Å; P367-D369 VanDerWaalsContact C-N 3.31Å; P367-D369 PolarHBondContact O-N 3.45Å; P367-V370 WeakPolarHBondContact O-CB 3.48Å; P367-V370 PolarHBondContact O-N 2.89Å; P367-E371 VanDerWaalsContact O-CG 3.27Å; P367-E371 WeakPolarHBondContact O-CG 3.09Å; P367-E371 PolarHBondContact O-N 2.79Å
368	K	96.5	Very high	96.4	Very high	120 Å²	120	39 Å²	39	52%	0.522	22%	0.216	S	C	.	.	H	α-helix	trans	-63.9	-33.9	178.1	-65.5	177.8	-168.7	167.2	0	113.7	E231 H366 E371 S372	E231-K368 HydrophobicContact CG-CB 4.08Å; E231-K368 HydrophobicContact CG-CD 4.17Å; E231-K368 WeakPolarHBondContact OE2-CD 3.49Å; E231-K368 IonicContact OE2-NZ 3.3Å; E231-K368 PolarHBondContact OE2-NZ 2.85Å; H366-K368 VanDerWaalsContact C-N 3.31Å; H366-K368 PolarHBondContact ND1-N 2.9Å; H366-K368 PolarHBondContact O-N 3.41Å; H366-K368 VanDerWaalsContact O-N 3.12Å; K368-E371 PolarHBondContact O-N 3.24Å; K368-S372 WeakPolarHBondContact O-CB 3.14Å; K368-S372 PolarHBondContact O-N 3.2Å; K368-S372 PolarHBondContact O-OG 2.87Å
369	D	97	Very high	96.4	Very high	8 Å²	8	41 Å²	41	4%	0.043	23%	0.228	C	C	.	.	H	α-helix	trans	-68.3	-40.9	176.1	-76.6	-48.7	0	0	0	109.6	Y228 A229 K230 E231 H366 P367 S372 M373	Y228-D369 WeakPolarHBondContact O-CB 3.4Å; A229-D369 WeakPolarHBondContact CA-OD2 3.24Å; K230-D369 PolarHBondContact N-OD1 3.49Å; K230-D369 PolarHBondContact N-OD2 2.9Å; E231-D369 WeakPolarHBondContact CB-OD2 3.44Å; E231-D369 PolarHBondContact N-OD1 3.34Å; E231-D369 PolarHBondContact N-OD2 3.32Å; H366-D369 WeakPolarHBondContact O-CB 3.48Å; H366-D369 PolarHBondContact O-N 3.36Å; P367-D369 VanDerWaalsContact C-N 3.31Å; P367-D369 PolarHBondContact O-N 3.45Å; D369-S372 PolarHBondContact O-N 3.03Å; D369-M373 WeakPolarHBondContact O-CB 3.43Å; D369-M373 PolarHBondContact O-N 2.76Å
370	V	98	Very high	96.4	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-63.3	-43.1	173.9	178.8	0	0	0	0	111.6	P225 V356 Y358 C365 H366 P367 M373 C374	P225-V370 HydrophobicContact CG-CG1 3.94Å; P225-V370 HydrophobicContact CG-CG2 4.19Å; V356-V370 HydrophobicContact CG1-CG1 3.6Å; Y358-V370 HydrophobicContact CD1-CG1 4.3Å; Y358-V370 HydrophobicContact CD2-CB 4.1Å; Y358-V370 HydrophobicContact CD2-CG1 4.01Å; Y358-V370 HydrophobicContact CG-CB 4.35Å; Y358-V370 HydrophobicContact CG-CG1 3.85Å; C365-V370 HydrophobicContact CB-CG2 4.16Å; H366-V370 PolarHBondContact O-N 3.47Å; H366-V370 VanDerWaalsContact O-N 3.14Å; P367-V370 WeakPolarHBondContact O-CB 3.48Å; P367-V370 PolarHBondContact O-N 2.89Å; V370-M373 HydrophobicContact CG1-CE 4.21Å; V370-M373 WeakPolarHBondContact O-CB 3.24Å; V370-M373 PolarHBondContact O-N 3.33Å; V370-C374 PolarHBondContact O-N 3Å; V370-C374 PolarHBondContact O-SG 2.99Å
371	E	98	Very high	96.6	Very high	54 Å²	54	44 Å²	44	25%	0.252	25%	0.246	S	C	.	.	H	α-helix	trans	-62.3	-46	176.3	-67.1	-65.6	176.5	0	0	111.4	Y358 P367 K368 M373 C374 D375 K383	Y358-E371 HydrophobicContact CE2-CG 4.48Å; Y358-E371 VanDerWaalsContact CZ-OE1 3.27Å; Y358-E371 PolarHBondContact OH-OE1 2.85Å; P367-E371 VanDerWaalsContact O-CG 3.27Å; P367-E371 WeakPolarHBondContact O-CG 3.09Å; P367-E371 PolarHBondContact O-N 2.79Å; K368-E371 PolarHBondContact O-N 3.24Å; E371-M373 VanDerWaalsContact C-N 3.28Å; E371-M373 PolarHBondContact O-N 2.66Å; E371-C374 WeakPolarHBondContact O-CA 3.28Å; E371-C374 WeakPolarHBondContact O-CB 3.49Å; E371-C374 PolarHBondContact O-N 2.88Å; E371-D375 PolarHBondContact O-N 2.92Å; E371-K383 IonicContact OE1-NZ 3.94Å; E371-K383 WeakPolarHBondContact OE2-CE 3.49Å; E371-K383 IonicContact OE2-NZ 2.61Å; E371-K383 PolarHBondContact OE2-NZ 3.1Å
372	S	97.7	Very high	96.7	Very high	56 Å²	56	43 Å²	43	39%	0.392	25%	0.245	S	C	.	.	H	α-helix	trans	-62.1	-37.6	177.1	-55.3	0	0	0	0	111.7	K368 D369 C374 D375 D376	K368-S372 WeakPolarHBondContact O-CB 3.14Å; K368-S372 PolarHBondContact O-N 3.2Å; K368-S372 PolarHBondContact O-OG 2.87Å; D369-S372 PolarHBondContact O-N 3.03Å; S372-C374 VanDerWaalsContact C-N 3.34Å; S372-D375 PolarHBondContact O-N 2.92Å; S372-D376 PolarHBondContact O-N 3.29Å
373	M	98	Very high	96.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.9	-41.8	172.5	176.2	-148.5	67.8	0	0	111.2	F204 P225 V227 Y228 L347 V356 D369 V370 E371 D375 D376 L377	F204-M373 HydrophobicContact CD2-SD 4.34Å; F204-M373 HydrophobicContact CE2-SD 3.68Å; F204-M373 HydrophobicContact CZ-SD 4.4Å; P225-M373 HydrophobicContact CB-CE 4.11Å; P225-M373 HydrophobicContact CB-SD 3.72Å; P225-M373 HydrophobicContact CG-CE 3.66Å; P225-M373 HydrophobicContact CG-SD 3.86Å; V227-M373 HydrophobicContact CB-CB 4.47Å; V227-M373 HydrophobicContact CB-CG 3.86Å; V227-M373 HydrophobicContact CB-SD 3.77Å; V227-M373 HydrophobicContact CG1-CG 3.92Å; V227-M373 HydrophobicContact CG1-SD 4.38Å; V227-M373 HydrophobicContact CG2-CG 4.1Å; V227-M373 HydrophobicContact CG2-SD 3.44Å; V227-M373 WeakPolarHBondContact CG2-SD 3.34Å; Y228-M373 HydrophobicContact CD2-CB 3.78Å; Y228-M373 VanDerWaalsContact CE2-CA 3.42Å; Y228-M373 HydrophobicContact CE2-CB 3.99Å; Y228-M373 HydrophobicContact CG-CB 4.49Å; L347-M373 HydrophobicContact CD1-CG 4.17Å; V356-M373 HydrophobicContact CG1-CE 4.25Å; V356-M373 HydrophobicContact CG2-CE 4.21Å; D369-M373 WeakPolarHBondContact O-CB 3.43Å; D369-M373 PolarHBondContact O-N 2.76Å; V370-M373 HydrophobicContact CG1-CE 4.21Å; V370-M373 WeakPolarHBondContact O-CB 3.24Å; V370-M373 PolarHBondContact O-N 3.33Å; E371-M373 VanDerWaalsContact C-N 3.28Å; E371-M373 PolarHBondContact O-N 2.66Å; M373-D375 VanDerWaalsContact C-N 3.28Å; M373-D375 PolarHBondContact O-N 2.7Å; M373-D376 PolarHBondContact O-N 2.93Å; M373-L377 HydrophobicContact CE-CD1 3.81Å; M373-L377 HydrophobicContact CG-CD1 4.37Å; M373-L377 HydrophobicContact CG-CG 4.44Å; M373-L377 WeakPolarHBondContact O-CG 3.21Å; M373-L377 PolarHBondContact O-N 3.47Å; M373-L377 VanDerWaalsContact O-N 3.12Å; M373-L377 HydrophobicContact SD-CD1 4.37Å
374	C	98.5	Very high	97.3	Very high	10 Å²	10	47.7 Å²	47.7	7%	0.068	26%	0.262	C	S	.	.	H	α-helix	trans	-62.4	-35.7	178	-66.9	0	0	0	0	112.4	V370 E371 S372 D376 L377 V380 K383	V370-C374 PolarHBondContact O-N 3Å; V370-C374 PolarHBondContact O-SG 2.99Å; E371-C374 WeakPolarHBondContact O-CA 3.28Å; E371-C374 WeakPolarHBondContact O-CB 3.49Å; E371-C374 PolarHBondContact O-N 2.88Å; S372-C374 VanDerWaalsContact C-N 3.34Å; C374-D376 PolarHBondContact O-N 3.25Å; C374-L377 PolarHBondContact O-N 3.38Å; C374-V380 HydrophobicContact CB-CG2 4.15Å; C374-V380 WeakPolarHBondContact O-CG2 3.31Å; C374-K383 HydrophobicContact CB-CD 4.07Å
375	D	98.1	Very high	97.6	Very high	130 Å²	130	48.5 Å²	48.5	70%	0.695	27%	0.267	S	S	*	.	H	α-helix	trans	-65.5	-28.7	177.2	-66.5	-22.5	0	0	0	112.5	E371 S372 M373	E371-D375 PolarHBondContact O-N 2.92Å; S372-D375 PolarHBondContact O-N 2.92Å; M373-D375 VanDerWaalsContact C-N 3.28Å; M373-D375 PolarHBondContact O-N 2.7Å
376	D	98.1	Very high	97.7	Very high	81 Å²	81	48.6 Å²	48.6	43%	0.433	27%	0.267	S	S	.	.	H	α-helix	trans	-91.2	-16.7	179.7	-72	-30.1	0	0	0	113.8	Y228 L347 S348 S372 M373 C374	Y228-D376 WeakPolarHBondContact CE2-OD2 3.39Å; Y228-D376 VanDerWaalsContact CZ-OD2 3.31Å; Y228-D376 PolarHBondContact OH-OD2 3.43Å; L347-D376 CarbonylContact C-O 3.57Å; L347-D376 HydrophobicContact CB-CB 4.06Å; L347-D376 VanDerWaalsContact CB-O 3.3Å; L347-D376 WeakPolarHBondContact CB-O 3.33Å; L347-D376 HydrophobicContact CD1-CB 4.09Å; S348-D376 PolarHBondContact N-O 3.32Å; S348-D376 VanDerWaalsContact N-O 3.08Å; S372-D376 PolarHBondContact O-N 3.29Å; M373-D376 PolarHBondContact O-N 2.93Å; C374-D376 PolarHBondContact O-N 3.25Å
377	L	98.3	Very high	97.8	Very high	14 Å²	14	50.5 Å²	50.5	7%	0.073	29%	0.285	C	S	.	.			trans	-72.9	137.6	-179.9	-81.2	174.9	0	0	0	111.9	F204 L347 V350 T354 M373 C374 N379 V380	F204-L377 HydrophobicContact CD1-CD2 3.91Å; F204-L377 HydrophobicContact CE1-CD1 4.26Å; F204-L377 HydrophobicContact CE1-CD2 3.87Å; F204-L377 HydrophobicContact CG-CD2 4.4Å; F204-L377 HydrophobicContact CZ-CD1 4.04Å; F204-L377 HydrophobicContact CZ-CD2 4.3Å; L347-L377 HydrophobicContact CB-CD2 4.27Å; L347-L377 HydrophobicContact CD2-CD2 4.39Å; V350-L377 HydrophobicContact CB-CD2 3.77Å; V350-L377 HydrophobicContact CG1-CD2 3.93Å; V350-L377 HydrophobicContact CG2-CD2 4.02Å; T354-L377 HydrophobicContact CG2-CD1 4.28Å; M373-L377 HydrophobicContact CE-CD1 3.81Å; M373-L377 HydrophobicContact CG-CD1 4.37Å; M373-L377 HydrophobicContact CG-CG 4.44Å; M373-L377 WeakPolarHBondContact O-CG 3.21Å; M373-L377 PolarHBondContact O-N 3.47Å; M373-L377 VanDerWaalsContact O-N 3.12Å; M373-L377 HydrophobicContact SD-CD1 4.37Å; C374-L377 PolarHBondContact O-N 3.38Å; L377-N379 VanDerWaalsContact C-N 3.34Å; L377-N379 PolarHBondContact O-N 3.22Å; L377-V380 HydrophobicContact CB-CG2 3.62Å; L377-V380 HydrophobicContact CD1-CG2 3.96Å; L377-V380 HydrophobicContact CG-CG2 4.45Å
378	G	98.2	Very high	97.7	Very high	41 Å²	41	51.5 Å²	51.5	42%	0.423	29%	0.287	S	S	.	.	S	Bend	trans	-68.9	-21.4	-176.9	0	0	0	0	0	116	L347 V350	L347-G378 PolarHBondContact O-N 3.48Å; L347-G378 VanDerWaalsContact O-N 3.13Å; V350-G378 CarbonylContact O-C 3.58Å; V350-G378 WeakPolarHBondContact O-CA 3.36Å; V350-G378 PolarHBondContact O-N 2.68Å; V350-G378 VanDerWaalsContact O-N 3.17Å
379	N	98.3	Very high	97.7	Very high	60 Å²	60	53.2 Å²	53.2	32%	0.321	30%	0.295	S	S	.	.			trans	-154.3	73.8	-176.8	-169	6.6	0	0	0	114	V350 T351 T354 L377	V350-N379 PolarHBondContact O-N 2.68Å; T351-N379 WeakPolarHBondContact O-CB 3.34Å; T351-N379 PolarHBondContact O-ND2 3.08Å; T354-N379 PolarHBondContact N-O 2.76Å; L377-N379 VanDerWaalsContact C-N 3.34Å; L377-N379 PolarHBondContact O-N 3.22Å
380	V	98.5	Very high	97.6	Very high	50 Å²	50	57.2 Å²	57.2	30%	0.303	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	117.8	171.6	-176.9	0	0	0	0	110.1	C374 L377 K383	C374-V380 HydrophobicContact CB-CG2 4.15Å; C374-V380 WeakPolarHBondContact O-CG2 3.31Å; L377-V380 HydrophobicContact CB-CG2 3.62Å; L377-V380 HydrophobicContact CD1-CG2 3.96Å; L377-V380 HydrophobicContact CG-CG2 4.45Å; V380-K383 HydrophobicContact CG1-CG 4.1Å
381	T	98.1	Very high	97.5	Very high	80 Å²	80	57.2 Å²	57.2	49%	0.491	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-19.6	178.7	57.8	0	0	0	0	113.8	P353 T354	P353-T381 HydrophobicContact CB-CG2 3.71Å; T354-T381 PolarHBondContact O-N 3.09Å; T354-T381 PolarHBondContact O-OG1 3.42Å
382	G	98.1	Very high	97.4	Very high	18 Å²	18	54.7 Å²	54.7	19%	0.186	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.1	164.3	178.6	0	0	0	0	0	112.6	F355 V356	F355-G382 WeakPolarHBondContact CA-O 3.38Å; V356-G382 PolarHBondContact N-O 2.94Å
383	K	98.2	Very high	97.4	Very high	91 Å²	91	52.3 Å²	52.3	40%	0.396	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	145.7	-179.6	-63.3	-178.3	-66.4	-170	0	108.8	V356 Y358 E371 C374 V380	V356-K383 HydrophobicContact CB-CG 4.37Å; V356-K383 CarbonylContact O-C 3.5Å; V356-K383 VanDerWaalsContact O-CA 3.3Å; V356-K383 WeakPolarHBondContact O-CA 3.43Å; Y358-K383 HydrophobicContact CE1-CB 4.04Å; E371-K383 IonicContact OE1-NZ 3.94Å; E371-K383 WeakPolarHBondContact OE2-CE 3.49Å; E371-K383 IonicContact OE2-NZ 2.61Å; E371-K383 PolarHBondContact OE2-NZ 3.1Å; C374-K383 HydrophobicContact CB-CD 4.07Å; V380-K383 HydrophobicContact CG1-CG 4.1Å
384	Y	98.3	Very high	97.3	Very high	50 Å²	50	53 Å²	53	20%	0.196	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	105.1	175	-179.4	-105.9	0	0	0	110.2	V356 Y357 Y358 V386 P387 M405 R409	V356-Y384 PolarHBondContact O-N 2.86Å; Y357-Y384 WeakPolarHBondContact CA-O 3.49Å; Y357-Y384 AromaticContact CD1-CD1 3.86Å; Y357-Y384 HydrophobicContact CD1-CD1 3.86Å; Y357-Y384 HydrophobicContact CD1-CG 4.3Å; Y358-Y384 WeakPolarHBondContact CD1-O 3.4Å; Y358-Y384 PolarHBondContact N-O 2.9Å; Y358-Y384 VanDerWaalsContact N-O 3.11Å; Y384-V386 HydrophobicContact CD1-CG2 4.2Å; Y384-V386 HydrophobicContact CE1-CB 4.48Å; Y384-V386 HydrophobicContact CE1-CG2 4Å; Y384-P387 VanDerWaalsContact OH-CD 3.32Å; Y384-P387 WeakPolarHBondContact OH-CD 3.4Å; Y384-M405 VanDerWaalsContact CE1-O 3.28Å; Y384-M405 WeakPolarHBondContact CE1-O 3.47Å; Y384-M405 PolarHBondContact OH-O 3.22Å; Y384-R409 HydrophobicContact CD1-CG 4.42Å; Y384-R409 HydrophobicContact CD2-CG 3.95Å; Y384-R409 HydrophobicContact CE1-CB 4.47Å; Y384-R409 HydrophobicContact CE2-CG 4.1Å; Y384-R409 HydrophobicContact CG-CG 4.1Å
385	L	98.1	Very high	97.2	Very high	72 Å²	72	52.6 Å²	52.6	38%	0.377	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	115.9	167.3	-176.4	66.2	0	0	0	108.1	Y358 T360 P387	Y358-L385 HydrophobicContact CD2-CD1 3.77Å; Y358-L385 HydrophobicContact CE1-CB 4.02Å; Y358-L385 HydrophobicContact CE2-CB 4.37Å; Y358-L385 HydrophobicContact CE2-CD1 3.73Å; Y358-L385 HydrophobicContact CG-CD1 4.27Å; Y358-L385 CarbonylContact O-C 3.59Å; Y358-L385 WeakPolarHBondContact O-CA 3.49Å; T360-L385 HydrophobicContact CG2-CD1 4.01Å; T360-L385 HydrophobicContact CG2-CD2 4.16Å; T360-L385 HydrophobicContact CG2-CG 4.44Å; L385-P387 WeakPolarHBondContact O-CD 3.46Å
386	V	97.8	Very high	97.2	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.012	25%	0.252	C	S	.	.			trans	-58.9	124.7	179.4	-178.2	0	0	0	0	109.2	Y358 Y384 Q388 F391 F396 M405 L406	Y358-V386 PolarHBondContact O-N 3.43Å; Y384-V386 HydrophobicContact CD1-CG2 4.2Å; Y384-V386 HydrophobicContact CE1-CB 4.48Å; Y384-V386 HydrophobicContact CE1-CG2 4Å; V386-Q388 VanDerWaalsContact C-N 3.31Å; V386-Q388 PolarHBondContact O-N 3.41Å; V386-F391 HydrophobicContact CB-CB 4.3Å; V386-F391 HydrophobicContact CB-CD1 4.13Å; V386-F391 HydrophobicContact CB-CG 4.14Å; V386-F391 HydrophobicContact CG1-CB 3.84Å; V386-F391 HydrophobicContact CG1-CD1 4.03Å; V386-F391 HydrophobicContact CG1-CD2 3.72Å; V386-F391 HydrophobicContact CG1-CE1 4.49Å; V386-F391 HydrophobicContact CG1-CE2 4.22Å; V386-F391 HydrophobicContact CG1-CG 3.6Å; V386-F391 HydrophobicContact CG2-CD1 4.01Å; V386-F391 HydrophobicContact CG2-CE1 4.05Å; V386-F391 HydrophobicContact CG2-CG 4.44Å; V386-F396 HydrophobicContact CG2-CZ 4.41Å; V386-M405 HydrophobicContact CG1-CB 4.35Å; V386-L406 HydrophobicContact CG2-CD1 4.05Å
387	P	95.3	Very high	97.2	Very high	99 Å²	99	42.6 Å²	42.6	64%	0.643	23%	0.232	S	C	*	.	S	Bend	trans	-66.6	-26.1	-171.6	-26.2	34.9	0	0	0	115.5	Y384 L385 K389	Y384-P387 VanDerWaalsContact OH-CD 3.32Å; Y384-P387 WeakPolarHBondContact OH-CD 3.4Å; L385-P387 WeakPolarHBondContact O-CD 3.46Å; P387-K389 PolarHBondContact O-N 3.12Å
388	Q	94.7	Very high	97.1	Very high	44 Å²	44	42.6 Å²	42.6	21%	0.206	23%	0.231	C	C	.	.			trans	-71.5	119.5	177.5	-177.4	-171.1	57.7	0	0	109	N286 E289 V386 E390 F391 M405	N286-Q388 PolarHBondContact ND2-OE1 2.8Å; E289-Q388 PolarHBondContact OE1-NE2 2.97Å; V386-Q388 VanDerWaalsContact C-N 3.31Å; V386-Q388 PolarHBondContact O-N 3.41Å; Q388-E390 VanDerWaalsContact C-N 3.25Å; Q388-E390 PolarHBondContact O-N 3.42Å; Q388-F391 HydrophobicContact CB-CB 4.23Å; Q388-F391 VanDerWaalsContact O-CB 3.32Å; Q388-F391 WeakPolarHBondContact O-CB 3.3Å; Q388-F391 PolarHBondContact O-N 2.91Å; Q388-F391 VanDerWaalsContact O-N 3.17Å; Q388-M405 HydrophobicContact CB-SD 3.94Å; Q388-M405 HydrophobicContact CG-SD 4.42Å; Q388-M405 PolarHBondContact OE1-SD 3.24Å; Q388-M405 VanDerWaalsContact OE1-SD 3.35Å
389	K	95.4	Very high	96.9	Very high	156 Å²	156	40.7 Å²	40.7	68%	0.678	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-32.6	-172.3	-71	-176.3	177.9	178.9	0	112.6	T360 N361 P387 F391	T360-K389 WeakPolarHBondContact OG1-CA 3.46Å; T360-K389 PolarHBondContact OG1-O 2.81Å; N361-K389 WeakPolarHBondContact CB-O 3.45Å; P387-K389 PolarHBondContact O-N 3.12Å; K389-F391 VanDerWaalsContact C-N 3.35Å
390	E	95.6	Very high	96.7	Very high	93 Å²	93	41.7 Å²	41.7	44%	0.435	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-11	-179	-61.8	75.1	-166.7	0	0	113.1	N286 N361 Q388 N392	N286-E390 HydrophobicContact CB-CB 4.4Å; N286-E390 WeakPolarHBondContact CB-O 3.3Å; N286-E390 PolarHBondContact ND2-O 3.09Å; N361-E390 PolarHBondContact ND2-O 3.34Å; Q388-E390 VanDerWaalsContact C-N 3.25Å; Q388-E390 PolarHBondContact O-N 3.42Å; E390-N392 PolarHBondContact O-N 3.44Å; E390-N392 VanDerWaalsContact O-N 3.15Å
391	F	97.1	Very high	96.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.22	C	C	.	.			trans	-58.2	119.8	-179.4	-162.7	-83.6	0	0	0	110.7	S359 V386 Q388 K389 D395 F396 A399 V402 M405 L406	S359-F391 WeakPolarHBondContact CB-O 3.48Å; S359-F391 PolarHBondContact OG-O 2.88Å; V386-F391 HydrophobicContact CB-CB 4.3Å; V386-F391 HydrophobicContact CB-CD1 4.13Å; V386-F391 HydrophobicContact CB-CG 4.14Å; V386-F391 HydrophobicContact CG1-CB 3.84Å; V386-F391 HydrophobicContact CG1-CD1 4.03Å; V386-F391 HydrophobicContact CG1-CD2 3.72Å; V386-F391 HydrophobicContact CG1-CE1 4.49Å; V386-F391 HydrophobicContact CG1-CE2 4.22Å; V386-F391 HydrophobicContact CG1-CG 3.6Å; V386-F391 HydrophobicContact CG2-CD1 4.01Å; V386-F391 HydrophobicContact CG2-CE1 4.05Å; V386-F391 HydrophobicContact CG2-CG 4.44Å; Q388-F391 HydrophobicContact CB-CB 4.23Å; Q388-F391 VanDerWaalsContact O-CB 3.32Å; Q388-F391 WeakPolarHBondContact O-CB 3.3Å; Q388-F391 PolarHBondContact O-N 2.91Å; Q388-F391 VanDerWaalsContact O-N 3.17Å; K389-F391 VanDerWaalsContact C-N 3.35Å; F391-D395 WeakPolarHBondContact CA-OD2 3.37Å; F391-D395 HydrophobicContact CD1-CB 3.75Å; F391-D395 HydrophobicContact CD2-CB 3.7Å; F391-D395 HydrophobicContact CE1-CB 3.65Å; F391-D395 HydrophobicContact CE2-CB 3.6Å; F391-D395 HydrophobicContact CG-CB 3.8Å; F391-D395 HydrophobicContact CZ-CB 3.59Å; F391-D395 WeakPolarHBondContact CZ-O 3.34Å; F391-F396 HydrophobicContact CD1-CD2 4.21Å; F391-F396 AromaticContact CD1-CE2 3.87Å; F391-F396 HydrophobicContact CD1-CE2 3.87Å; F391-F396 HydrophobicContact CD1-CZ 4.23Å; F391-F396 HydrophobicContact CE1-CB 4.49Å; F391-F396 HydrophobicContact CE1-CD1 4.16Å; F391-F396 AromaticContact CE1-CD2 3.56Å; F391-F396 HydrophobicContact CE1-CD2 3.56Å; F391-F396 HydrophobicContact CE1-CE1 4.18Å; F391-F396 AromaticContact CE1-CE2 3.58Å; F391-F396 HydrophobicContact CE1-CE2 3.58Å; F391-F396 AromaticContact CE1-CG 3.84Å; F391-F396 HydrophobicContact CE1-CG 3.84Å; F391-F396 AromaticContact CE1-CZ 3.88Å; F391-F396 HydrophobicContact CE1-CZ 3.88Å; F391-A399 HydrophobicContact CE2-CB 4.23Å; F391-V402 HydrophobicContact CZ-CG2 4.39Å; F391-M405 HydrophobicContact CD2-CE 3.63Å; F391-M405 HydrophobicContact CD2-SD 3.85Å; F391-M405 HydrophobicContact CE2-CB 4.22Å; F391-M405 HydrophobicContact CE2-CE 3.6Å; F391-M405 HydrophobicContact CE2-SD 4.19Å; F391-L406 HydrophobicContact CE1-CD1 4.35Å; F391-L406 HydrophobicContact CZ-CD1 4.26Å
392	N	96.1	Very high	96.5	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.196	C	C	.	.			trans	-107.1	-175.2	-168.6	77	39.1	0	0	0	112.2	V283 G284 N286 E390 M394 D395 F396	V283-N392 WeakPolarHBondContact O-CB 3.34Å; G284-N392 WeakPolarHBondContact O-CB 2.86Å; G284-N392 PolarHBondContact O-ND2 3.27Å; N286-N392 WeakPolarHBondContact CB-ND2 3.44Å; E390-N392 PolarHBondContact O-N 3.44Å; E390-N392 VanDerWaalsContact O-N 3.15Å; N392-M394 PolarHBondContact O-N 3.18Å; N392-M394 WeakPolarHBondContact OD1-CA 2.89Å; N392-M394 PolarHBondContact OD1-N 3.25Å; N392-D395 PolarHBondContact N-OD2 3.03Å; N392-D395 PolarHBondContact ND2-OD1 2.84Å; N392-D395 PolarHBondContact ND2-OD2 3.47Å; N392-D395 PolarHBondContact O-N 3.39Å; N392-D395 VanDerWaalsContact OD1-CG 3.27Å; N392-D395 PolarHBondContact OD1-N 3.03Å; N392-D395 PolarHBondContact OD1-OD1 2.92Å; N392-F396 VanDerWaalsContact O-CD2 3.27Å; N392-F396 WeakPolarHBondContact O-CD2 3.3Å; N392-F396 WeakPolarHBondContact O-CE2 3.48Å
393	H	96.8	Very high	96.3	Very high	6 Å²	6	43.6 Å²	43.6	3%	0.028	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-33.2	-177.2	-167.1	72.4	0	0	0	114.9	H196 S197 V283 D362 L364 C365 F396	H196-H393 AromaticContact CE1-CD2 3.87Å; H196-H393 AromaticContact CE1-NE2 3.68Å; H196-H393 AromaticContact NE2-NE2 3.93Å; H196-H393 PolarHBondContact NE2-O 3.02Å; S197-H393 VanDerWaalsContact CB-CE1 3.49Å; S197-H393 WeakPolarHBondContact CB-CE1 3.24Å; S197-H393 WeakPolarHBondContact CB-NE2 3.21Å; S197-H393 PolarHBondContact OG-CE1 2.72Å; S197-H393 VanDerWaalsContact OG-CE1 3.24Å; S197-H393 PolarHBondContact OG-NE2 3.49Å; V283-H393 HydrophobicContact CB-CB 3.91Å; V283-H393 WeakPolarHBondContact O-CB 3.32Å; V283-H393 PolarHBondContact O-N 2.58Å; D362-H393 VanDerWaalsContact CG-ND1 3.31Å; D362-H393 WeakPolarHBondContact OD1-CB 3.39Å; D362-H393 IonicContact OD1-CG 3.56Å; D362-H393 IonicContact OD1-ND1 3.5Å; D362-H393 PolarHBondContact OD1-ND1 2.91Å; D362-H393 VanDerWaalsContact OD1-ND1 3.17Å; D362-H393 IonicContact OD2-CE1 2.85Å; D362-H393 IonicContact OD2-CG 3.42Å; D362-H393 IonicContact OD2-ND1 3.61Å; D362-H393 PolarHBondContact OD2-ND1 3.46Å; L364-H393 HydrophobicContact CD1-CB 4.41Å; C365-H393 VanDerWaalsContact SG-CE1 3.55Å; H393-F396 WeakPolarHBondContact O-CD2 3.49Å
394	M	95.8	Very high	96.1	Very high	14 Å²	14	46.7 Å²	46.7	7%	0.069	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-18	-179	-60.1	-48.5	-66.9	0	0	113.1	V283 N392 F396 L397 W398	V283-M394 HydrophobicContact CB-CG 3.89Å; V283-M394 HydrophobicContact CG1-CG 3.7Å; V283-M394 HydrophobicContact CG1-SD 4.3Å; V283-M394 HydrophobicContact CG2-CG 3.96Å; N392-M394 PolarHBondContact O-N 3.18Å; N392-M394 WeakPolarHBondContact OD1-CA 2.89Å; N392-M394 PolarHBondContact OD1-N 3.25Å; M394-F396 PolarHBondContact O-N 3.07Å; M394-F396 VanDerWaalsContact O-N 3.13Å; M394-L397 HydrophobicContact CE-CD1 4.21Å; M394-L397 PolarHBondContact O-N 2.88Å; M394-W398 HydrophobicContact CB-CE3 3.97Å; M394-W398 HydrophobicContact CB-CZ3 4.31Å; M394-W398 HydrophobicContact CE-CD2 4.13Å; M394-W398 HydrophobicContact CE-CE3 3.83Å; M394-W398 HydrophobicContact CE-CH2 3.21Å; M394-W398 HydrophobicContact CE-CZ2 3.52Å; M394-W398 HydrophobicContact CE-CZ3 3.37Å; M394-W398 HydrophobicContact CG-CE3 4.43Å; M394-W398 HydrophobicContact CG-CZ3 4.27Å; M394-W398 PolarHBondContact O-N 3.34Å
395	D	97.3	Very high	96	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.016	22%	0.218	C	C	.	.	H	α-helix	trans	-60.7	-22.9	174.8	-67.7	-17.2	0	0	0	111.7	N286 F391 N392 L397 A399 V402	N286-D395 WeakPolarHBondContact CB-OD2 3.48Å; N286-D395 PolarHBondContact ND2-OD2 3.4Å; F391-D395 WeakPolarHBondContact CA-OD2 3.37Å; F391-D395 HydrophobicContact CD1-CB 3.75Å; F391-D395 HydrophobicContact CD2-CB 3.7Å; F391-D395 HydrophobicContact CE1-CB 3.65Å; F391-D395 HydrophobicContact CE2-CB 3.6Å; F391-D395 HydrophobicContact CG-CB 3.8Å; F391-D395 HydrophobicContact CZ-CB 3.59Å; F391-D395 WeakPolarHBondContact CZ-O 3.34Å; N392-D395 PolarHBondContact N-OD2 3.03Å; N392-D395 PolarHBondContact ND2-OD1 2.84Å; N392-D395 PolarHBondContact ND2-OD2 3.47Å; N392-D395 PolarHBondContact O-N 3.39Å; N392-D395 VanDerWaalsContact OD1-CG 3.27Å; N392-D395 PolarHBondContact OD1-N 3.03Å; N392-D395 PolarHBondContact OD1-OD1 2.92Å; D395-L397 PolarHBondContact O-N 3.07Å; D395-L397 VanDerWaalsContact O-N 3.11Å; D395-A399 HydrophobicContact CB-CB 3.63Å; D395-A399 WeakPolarHBondContact O-CB 3.48Å; D395-A399 PolarHBondContact O-N 3.03Å; D395-V402 WeakPolarHBondContact O-CG2 3.18Å
396	F	98.2	Very high	95.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-57.2	-20.3	169.4	-73.9	-91.9	0	0	0	113.9	L223 A224 V386 F391 N392 H393 M394 L406 Y407	L223-F396 HydrophobicContact CB-CD1 3.96Å; L223-F396 HydrophobicContact CD2-CD1 4.4Å; A224-F396 HydrophobicContact CB-CD1 4.41Å; A224-F396 HydrophobicContact CB-CD2 3.82Å; A224-F396 HydrophobicContact CB-CE1 4.34Å; A224-F396 HydrophobicContact CB-CE2 3.75Å; A224-F396 HydrophobicContact CB-CG 4.19Å; A224-F396 HydrophobicContact CB-CZ 4.04Å; V386-F396 HydrophobicContact CG2-CZ 4.41Å; F391-F396 HydrophobicContact CD1-CD2 4.21Å; F391-F396 AromaticContact CD1-CE2 3.87Å; F391-F396 HydrophobicContact CD1-CE2 3.87Å; F391-F396 HydrophobicContact CD1-CZ 4.23Å; F391-F396 HydrophobicContact CE1-CB 4.49Å; F391-F396 HydrophobicContact CE1-CD1 4.16Å; F391-F396 AromaticContact CE1-CD2 3.56Å; F391-F396 HydrophobicContact CE1-CD2 3.56Å; F391-F396 HydrophobicContact CE1-CE1 4.18Å; F391-F396 AromaticContact CE1-CE2 3.58Å; F391-F396 HydrophobicContact CE1-CE2 3.58Å; F391-F396 AromaticContact CE1-CG 3.84Å; F391-F396 HydrophobicContact CE1-CG 3.84Å; F391-F396 AromaticContact CE1-CZ 3.88Å; F391-F396 HydrophobicContact CE1-CZ 3.88Å; N392-F396 VanDerWaalsContact O-CD2 3.27Å; N392-F396 WeakPolarHBondContact O-CD2 3.3Å; N392-F396 WeakPolarHBondContact O-CE2 3.48Å; H393-F396 WeakPolarHBondContact O-CD2 3.49Å; M394-F396 PolarHBondContact O-N 3.07Å; M394-F396 VanDerWaalsContact O-N 3.13Å; F396-L406 HydrophobicContact CD1-CD1 3.25Å; F396-L406 HydrophobicContact CE1-CD1 3.36Å; F396-L406 HydrophobicContact CG-CD1 4.25Å; F396-L406 HydrophobicContact CZ-CD1 4.42Å; F396-Y407 PolarHBondContact O-OH 3.23Å
397	L	97.4	Very high	95.9	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-118.8	-44.6	-179	-59.6	177.5	0	0	0	111.9	F118 H196 M394 D395	F118-L397 HydrophobicContact CD1-CD2 3.72Å; F118-L397 HydrophobicContact CE1-CD2 3.56Å; F118-L397 HydrophobicContact CZ-CD2 4.39Å; H196-L397 HydrophobicContact CB-CD2 4.38Å; M394-L397 HydrophobicContact CE-CD1 4.21Å; M394-L397 PolarHBondContact O-N 2.88Å; D395-L397 PolarHBondContact O-N 3.07Å; D395-L397 VanDerWaalsContact O-N 3.11Å
398	W	95.3	Very high	95.9	Very high	14 Å²	14	41 Å²	41	5%	0.053	18%	0.183	C	C	.	.	H	α-helix	trans	-118.2	-0.8	-160.8	-52.4	-26.8	0	0	0	115.8	G117 M121 I298 Y302 M394	G117-W398 PolarHBondContact O-NE1 2.91Å; M121-W398 WeakPolarHBondContact CE-O 3.47Å; M121-W398 HydrophobicContact CG-CB 4.29Å; M121-W398 HydrophobicContact CG-CG 4.44Å; M121-W398 HydrophobicContact SD-CB 3.98Å; M121-W398 HydrophobicContact SD-CG 4.26Å; I298-W398 HydrophobicContact CD1-CB 4.36Å; I298-W398 HydrophobicContact CD1-CD2 4.06Å; I298-W398 HydrophobicContact CD1-CE3 3.95Å; I298-W398 HydrophobicContact CD1-CG 4.25Å; I298-W398 HydrophobicContact CG1-CD2 4.35Å; I298-W398 HydrophobicContact CG1-CE3 4.45Å; I298-W398 HydrophobicContact CG2-CD2 4.47Å; I298-W398 HydrophobicContact CG2-CE3 4.02Å; I298-W398 HydrophobicContact CG2-CH2 3.63Å; I298-W398 HydrophobicContact CG2-CZ2 4.14Å; I298-W398 HydrophobicContact CG2-CZ3 3.57Å; Y302-W398 HydrophobicContact CD1-CH2 4.04Å; Y302-W398 AromaticContact CD2-CH2 3.89Å; Y302-W398 HydrophobicContact CD2-CH2 3.89Å; Y302-W398 HydrophobicContact CD2-CZ2 4.33Å; Y302-W398 HydrophobicContact CE1-CH2 4.49Å; Y302-W398 HydrophobicContact CE2-CH2 4.35Å; Y302-W398 AromaticContact CG-CH2 3.72Å; Y302-W398 HydrophobicContact CG-CH2 3.72Å; Y302-W398 HydrophobicContact CG-CZ2 4.38Å; M394-W398 HydrophobicContact CB-CE3 3.97Å; M394-W398 HydrophobicContact CB-CZ3 4.31Å; M394-W398 HydrophobicContact CE-CD2 4.13Å; M394-W398 HydrophobicContact CE-CE3 3.83Å; M394-W398 HydrophobicContact CE-CH2 3.21Å; M394-W398 HydrophobicContact CE-CZ2 3.52Å; M394-W398 HydrophobicContact CE-CZ3 3.37Å; M394-W398 HydrophobicContact CG-CE3 4.43Å; M394-W398 HydrophobicContact CG-CZ3 4.27Å; M394-W398 PolarHBondContact O-N 3.34Å
399	A	95.4	Very high	96	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-63.1	142.3	178.1	0	0	0	0	0	111.8	E289 F391 D395 D401 V402 M405	E289-A399 HydrophobicContact CB-CB 3.71Å; E289-A399 HydrophobicContact CG-CB 4.23Å; E289-A399 CarbonylContact O-C 3.09Å; E289-A399 VanDerWaalsContact O-CA 3.32Å; E289-A399 WeakPolarHBondContact O-CA 3.41Å; F391-A399 HydrophobicContact CE2-CB 4.23Å; D395-A399 HydrophobicContact CB-CB 3.63Å; D395-A399 WeakPolarHBondContact O-CB 3.48Å; D395-A399 PolarHBondContact O-N 3.03Å; A399-D401 VanDerWaalsContact C-N 3.29Å; A399-D401 PolarHBondContact O-N 3.38Å; A399-V402 HydrophobicContact CB-CB 3.99Å; A399-V402 WeakPolarHBondContact O-CB 3.49Å; A399-V402 WeakPolarHBondContact O-CG1 3.25Å; A399-V402 PolarHBondContact O-N 3.36Å; A399-M405 HydrophobicContact CB-CE 4.16Å
400	I	94.3	Very high	96.1	Very high	82 Å²	82	35.3 Å²	35.3	42%	0.421	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-48.4	176.9	-67.4	162.3	0	0	0	110.6	E289 N291	E289-I400 WeakPolarHBondContact O-CG1 3.32Å; E289-I400 PolarHBondContact O-N 3.41Å; N291-I400 HydrophobicContact CB-CD1 4.26Å; N291-I400 HydrophobicContact CB-CG1 3.78Å
401	D	95.1	Very high	96.2	Very high	74 Å²	74	31.3 Å²	31.3	40%	0.396	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	17.7	-177.1	-86.5	-34.5	0	0	0	113.6	E289 A399 R403 K404 M405	E289-D401 WeakPolarHBondContact OE2-CB 3.48Å; E289-D401 PolarHBondContact OE2-N 3.27Å; A399-D401 VanDerWaalsContact C-N 3.29Å; A399-D401 PolarHBondContact O-N 3.38Å; D401-R403 PolarHBondContact O-N 3.17Å; D401-K404 PolarHBondContact O-N 3.45Å; D401-M405 HydrophobicContact CB-CE 3.77Å; D401-M405 HydrophobicContact CB-CG 4.4Å; D401-M405 PolarHBondContact O-N 2.74Å
402	V	96.7	Very high	96.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-51.9	-36.7	-178.5	66.7	0	0	0	0	112.9	V125 F391 D395 A399 K404 M405 L406 Y407	V125-V402 HydrophobicContact CG1-CG1 3.83Å; F391-V402 HydrophobicContact CZ-CG2 4.39Å; D395-V402 WeakPolarHBondContact O-CG2 3.18Å; A399-V402 HydrophobicContact CB-CB 3.99Å; A399-V402 WeakPolarHBondContact O-CB 3.49Å; A399-V402 WeakPolarHBondContact O-CG1 3.25Å; A399-V402 PolarHBondContact O-N 3.36Å; V402-K404 VanDerWaalsContact C-N 3.35Å; V402-K404 PolarHBondContact O-N 3.17Å; V402-M405 PolarHBondContact O-N 3.17Å; V402-L406 HydrophobicContact CG2-CB 4.42Å; V402-L406 PolarHBondContact O-N 3.3Å; V402-Y407 HydrophobicContact CB-CD2 4.5Å; V402-Y407 HydrophobicContact CB-CE2 4.14Å; V402-Y407 HydrophobicContact CG1-CD2 3.9Å; V402-Y407 HydrophobicContact CG1-CE2 3.43Å; V402-Y407 VanDerWaalsContact CG1-CE2 3.43Å; V402-Y407 HydrophobicContact CG2-CD1 4.49Å; V402-Y407 HydrophobicContact CG2-CD2 4.04Å; V402-Y407 HydrophobicContact CG2-CE1 4.07Å; V402-Y407 HydrophobicContact CG2-CE2 3.59Å; V402-Y407 HydrophobicContact CG2-CG 4.48Å; V402-Y407 PolarHBondContact O-N 3.05Å; V402-Y407 VanDerWaalsContact O-N 3.14Å
403	R	94.4	Very high	96.2	Very high	113 Å²	113	34.7 Å²	34.7	43%	0.426	16%	0.156	S	C	.	.	I	π-helix	trans	-61.2	-43.6	178.3	174.1	171.9	171.4	177.1	2.4	112.2	N124 L130 D401 Y407 R408	N124-R403 WeakPolarHBondContact O-CD 3.39Å; N124-R403 PolarHBondContact O-NH1 3.25Å; N124-R403 VanDerWaalsContact O-NH1 3.14Å; N124-R403 PolarHBondContact OD1-NH1 3.22Å; L130-R403 HydrophobicContact CD1-CB 4.4Å; L130-R403 HydrophobicContact CD1-CG 4.22Å; D401-R403 PolarHBondContact O-N 3.17Å; R403-Y407 HydrophobicContact CB-CD2 4.46Å; R403-R408 WeakPolarHBondContact O-CB 3.35Å; R403-R408 PolarHBondContact O-N 3.23Å
404	K	94	Very high	96.2	Very high	157 Å²	157	35.5 Å²	35.5	68%	0.683	16%	0.16	S	C	*	.	I	π-helix	trans	-74	-42.2	-179.9	179.5	-175.3	172.2	-170.6	0	110.8	D401 V402	D401-K404 PolarHBondContact O-N 3.45Å; V402-K404 VanDerWaalsContact C-N 3.35Å; V402-K404 PolarHBondContact O-N 3.17Å
405	M	94.5	Very high	96.2	Very high	26 Å²	26	38 Å²	38	13%	0.128	19%	0.189	C	C	.	.	I	π-helix	trans	-78.1	-32.6	-172.7	-66.9	-168.5	-78.2	0	0	113.8	E289 Y384 V386 Q388 F391 A399 D401 V402	E289-M405 HydrophobicContact CG-CE 3.9Å; E289-M405 VanDerWaalsContact OE2-CE 3.23Å; E289-M405 WeakPolarHBondContact OE2-CE 3.42Å; Y384-M405 VanDerWaalsContact CE1-O 3.28Å; Y384-M405 WeakPolarHBondContact CE1-O 3.47Å; Y384-M405 PolarHBondContact OH-O 3.22Å; V386-M405 HydrophobicContact CG1-CB 4.35Å; Q388-M405 HydrophobicContact CB-SD 3.94Å; Q388-M405 HydrophobicContact CG-SD 4.42Å; Q388-M405 PolarHBondContact OE1-SD 3.24Å; Q388-M405 VanDerWaalsContact OE1-SD 3.35Å; F391-M405 HydrophobicContact CD2-CE 3.63Å; F391-M405 HydrophobicContact CD2-SD 3.85Å; F391-M405 HydrophobicContact CE2-CB 4.22Å; F391-M405 HydrophobicContact CE2-CE 3.6Å; F391-M405 HydrophobicContact CE2-SD 4.19Å; A399-M405 HydrophobicContact CB-CE 4.16Å; D401-M405 HydrophobicContact CB-CE 3.77Å; D401-M405 HydrophobicContact CB-CG 4.4Å; D401-M405 PolarHBondContact O-N 2.74Å; V402-M405 PolarHBondContact O-N 3.17Å
406	L	97.2	Very high	95.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.204	C	C	.	.	I	π-helix	trans	-133.4	-57.3	-170.9	-170.7	149.2	0	0	0	113.2	L223 Y357 V386 F391 F396 V402 R408 R409 M410	L223-L406 HydrophobicContact CD2-CD1 4.5Å; L223-L406 HydrophobicContact CD2-CD2 3.9Å; Y357-L406 HydrophobicContact CD1-CD1 4.47Å; Y357-L406 HydrophobicContact CD1-CD2 4.46Å; Y357-L406 HydrophobicContact CD1-CG 4.15Å; V386-L406 HydrophobicContact CG2-CD1 4.05Å; F391-L406 HydrophobicContact CE1-CD1 4.35Å; F391-L406 HydrophobicContact CZ-CD1 4.26Å; F396-L406 HydrophobicContact CD1-CD1 3.25Å; F396-L406 HydrophobicContact CE1-CD1 3.36Å; F396-L406 HydrophobicContact CG-CD1 4.25Å; F396-L406 HydrophobicContact CZ-CD1 4.42Å; V402-L406 HydrophobicContact CG2-CB 4.42Å; V402-L406 PolarHBondContact O-N 3.3Å; L406-R408 VanDerWaalsContact C-N 3.29Å; L406-R408 PolarHBondContact O-N 3.03Å; L406-R409 WeakPolarHBondContact O-CA 3.5Å; L406-R409 WeakPolarHBondContact O-CB 3.46Å; L406-R409 PolarHBondContact O-N 2.81Å; L406-M410 PolarHBondContact O-N 2.78Å
407	Y	97.5	Very high	95.3	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.008	21%	0.212	C	C	.	.	I	π-helix	trans	-65.7	-31.2	-169.3	-57.7	-38.8	0	0	0	113.4	V125 L127 L130 F396 V402 R403 R409 M410 L411	V125-Y407 WeakPolarHBondContact O-CD2 3.25Å; V125-Y407 WeakPolarHBondContact O-CE2 3.18Å; L127-Y407 HydrophobicContact CB-CD1 4.49Å; L127-Y407 HydrophobicContact CB-CE1 3.87Å; L127-Y407 HydrophobicContact CB-CE2 4.16Å; L127-Y407 HydrophobicContact CD1-CD1 3.72Å; L127-Y407 HydrophobicContact CD1-CE1 3.88Å; L127-Y407 HydrophobicContact CD1-CG 4.19Å; L127-Y407 HydrophobicContact CD2-CE1 4.06Å; L127-Y407 HydrophobicContact CG-CD1 4.49Å; L127-Y407 HydrophobicContact CG-CE1 4.14Å; L130-Y407 HydrophobicContact CD1-CD2 3.48Å; L130-Y407 VanDerWaalsContact CD1-CD2 3.48Å; L130-Y407 HydrophobicContact CD1-CE2 4.3Å; L130-Y407 HydrophobicContact CD1-CG 4.07Å; F396-Y407 PolarHBondContact O-OH 3.23Å; V402-Y407 HydrophobicContact CB-CD2 4.5Å; V402-Y407 HydrophobicContact CB-CE2 4.14Å; V402-Y407 HydrophobicContact CG1-CD2 3.9Å; V402-Y407 HydrophobicContact CG1-CE2 3.43Å; V402-Y407 VanDerWaalsContact CG1-CE2 3.43Å; V402-Y407 HydrophobicContact CG2-CD1 4.49Å; V402-Y407 HydrophobicContact CG2-CD2 4.04Å; V402-Y407 HydrophobicContact CG2-CE1 4.07Å; V402-Y407 HydrophobicContact CG2-CE2 3.59Å; V402-Y407 HydrophobicContact CG2-CG 4.48Å; V402-Y407 PolarHBondContact O-N 3.05Å; V402-Y407 VanDerWaalsContact O-N 3.14Å; R403-Y407 HydrophobicContact CB-CD2 4.46Å; Y407-R409 VanDerWaalsContact C-N 3.31Å; Y407-R409 PolarHBondContact O-N 3.25Å; Y407-M410 PolarHBondContact O-N 2.96Å; Y407-L411 WeakPolarHBondContact O-CB 3.44Å; Y407-L411 VanDerWaalsContact O-CG 3.3Å; Y407-L411 WeakPolarHBondContact O-CG 3.45Å; Y407-L411 PolarHBondContact O-N 3.49Å
408	R	95.3	Very high	94.4	Very high	76 Å²	76	45 Å²	45	29%	0.287	23%	0.227	S	C	.	.	H	α-helix	trans	-58.4	-44.2	171.2	-177.5	-178.2	173.9	103.3	0.6	111.4	R403 L406 L411 Q412 G420	R403-R408 WeakPolarHBondContact O-CB 3.35Å; R403-R408 PolarHBondContact O-N 3.23Å; L406-R408 VanDerWaalsContact C-N 3.29Å; L406-R408 PolarHBondContact O-N 3.03Å; R408-L411 PolarHBondContact O-N 2.73Å; R408-Q412 WeakPolarHBondContact O-CG 3.22Å; R408-Q412 PolarHBondContact O-N 2.97Å; R408-G420 PolarHBondContact NH2-O 2.96Å
409	R	96.3	Very high	93.3	Very high	79 Å²	79	51.7 Å²	51.7	30%	0.298	26%	0.259	S	S	.	.	H	α-helix	trans	-65.8	-42.7	177.6	-179.5	57.8	177.3	166.9	2.5	110.7	Y357 Y384 L406 Y407 L411 Q412 V413	Y357-R409 HydrophobicContact CE1-CG 4.42Å; Y384-R409 HydrophobicContact CD1-CG 4.42Å; Y384-R409 HydrophobicContact CD2-CG 3.95Å; Y384-R409 HydrophobicContact CE1-CB 4.47Å; Y384-R409 HydrophobicContact CE2-CG 4.1Å; Y384-R409 HydrophobicContact CG-CG 4.1Å; L406-R409 WeakPolarHBondContact O-CA 3.5Å; L406-R409 WeakPolarHBondContact O-CB 3.46Å; L406-R409 PolarHBondContact O-N 2.81Å; Y407-R409 VanDerWaalsContact C-N 3.31Å; Y407-R409 PolarHBondContact O-N 3.25Å; R409-L411 PolarHBondContact O-N 2.83Å; R409-Q412 WeakPolarHBondContact O-CB 3.32Å; R409-Q412 PolarHBondContact O-N 3.05Å; R409-Q412 VanDerWaalsContact O-N 3.14Å; R409-V413 WeakPolarHBondContact O-CG2 3.31Å; R409-V413 PolarHBondContact O-N 3.14Å
410	M	97.8	Very high	91.7	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-60	-43.6	175.8	-179.7	179.9	156.8	0	0	112.5	F105 L127 L131 A194 Q221 L223 Y357 L406 Y407 Q412 V413 L414	F105-M410 HydrophobicContact CE1-CE 4.34Å; F105-M410 HydrophobicContact CE2-CE 4.48Å; F105-M410 HydrophobicContact CZ-CE 3.74Å; L127-M410 HydrophobicContact CD1-CE 3.85Å; L127-M410 HydrophobicContact CD1-SD 3.96Å; L127-M410 HydrophobicContact CD2-CE 4.11Å; L127-M410 HydrophobicContact CD2-SD 4.33Å; L131-M410 HydrophobicContact CD1-CE 4.44Å; L131-M410 HydrophobicContact CD2-CE 4.36Å; A194-M410 HydrophobicContact CB-CE 4.18Å; Q221-M410 HydrophobicContact CB-CE 4.04Å; Q221-M410 HydrophobicContact CB-SD 4.34Å; Q221-M410 HydrophobicContact CG-CE 3.99Å; Q221-M410 HydrophobicContact CG-CG 4.38Å; L223-M410 HydrophobicContact CD2-SD 4.46Å; Y357-M410 HydrophobicContact CE1-CB 4.05Å; Y357-M410 VanDerWaalsContact OH-CA 3.26Å; Y357-M410 WeakPolarHBondContact OH-CA 3.28Å; L406-M410 PolarHBondContact O-N 2.78Å; Y407-M410 PolarHBondContact O-N 2.96Å; M410-Q412 VanDerWaalsContact C-N 3.3Å; M410-Q412 PolarHBondContact O-N 2.75Å; M410-V413 PolarHBondContact O-N 3.02Å; M410-L414 HydrophobicContact CE-CD1 4.05Å; M410-L414 HydrophobicContact CG-CD1 4.11Å; M410-L414 VanDerWaalsContact O-CG 3.31Å; M410-L414 WeakPolarHBondContact O-CG 3.36Å; M410-L414 PolarHBondContact O-N 2.67Å
411	L	97.8	Very high	89.9	Confident	8 Å²	8	51 Å²	51	4%	0.042	27%	0.265	C	S	.	.	H	α-helix	trans	-66.8	-28.6	175.9	-70.3	167.1	0	0	0	112.9	L131 H134 Y407 R408 R409 G415 K416 V417	L131-L411 HydrophobicContact CD2-CD2 4.22Å; H134-L411 HydrophobicContact CB-CD2 4.16Å; Y407-L411 WeakPolarHBondContact O-CB 3.44Å; Y407-L411 VanDerWaalsContact O-CG 3.3Å; Y407-L411 WeakPolarHBondContact O-CG 3.45Å; Y407-L411 PolarHBondContact O-N 3.49Å; R408-L411 PolarHBondContact O-N 2.73Å; R409-L411 PolarHBondContact O-N 2.83Å; L411-G415 PolarHBondContact O-N 2.7Å; L411-K416 HydrophobicContact CB-CB 4.36Å; L411-K416 HydrophobicContact CD2-CB 4.17Å; L411-K416 HydrophobicContact CD2-CG 4.45Å; L411-K416 WeakPolarHBondContact O-CA 3.41Å; L411-K416 WeakPolarHBondContact O-CB 3.41Å; L411-K416 PolarHBondContact O-N 3.42Å; L411-V417 HydrophobicContact CB-CB 4.34Å; L411-V417 HydrophobicContact CB-CG2 3.75Å; L411-V417 HydrophobicContact CD1-CG2 4.39Å; L411-V417 PolarHBondContact O-N 2.95Å
412	Q	97.1	Very high	88.1	Confident	25 Å²	25	51.2 Å²	51.2	12%	0.117	27%	0.27	C	S	.	.	H	α-helix	trans	-67.6	-46.2	170.1	-72.1	172.1	-26.6	0	0	111.5	R408 R409 M410 L414 G415 V417 P418	R408-Q412 WeakPolarHBondContact O-CG 3.22Å; R408-Q412 PolarHBondContact O-N 2.97Å; R409-Q412 WeakPolarHBondContact O-CB 3.32Å; R409-Q412 PolarHBondContact O-N 3.05Å; R409-Q412 VanDerWaalsContact O-N 3.14Å; M410-Q412 VanDerWaalsContact C-N 3.3Å; M410-Q412 PolarHBondContact O-N 2.75Å; Q412-L414 PolarHBondContact O-N 3.34Å; Q412-G415 WeakPolarHBondContact O-CA 3.5Å; Q412-G415 PolarHBondContact O-N 3.16Å; Q412-V417 HydrophobicContact CG-CB 4.05Å; Q412-V417 HydrophobicContact CG-CG1 4.14Å; Q412-P418 PolarHBondContact NE2-O 3.36Å
413	V	96.8	Very high	86	Confident	48 Å²	48	58.5 Å²	58.5	29%	0.291	30%	0.304	S	S	.	.	H	α-helix	trans	-59.6	-36.3	176.2	171.8	0	0	0	0	111.3	F355 R409 M410 G415	F355-V413 HydrophobicContact CB-CG1 4.07Å; F355-V413 HydrophobicContact CD1-CG2 4.32Å; F355-V413 HydrophobicContact CD2-CB 4.36Å; F355-V413 HydrophobicContact CD2-CG1 3.55Å; F355-V413 HydrophobicContact CD2-CG2 3.81Å; F355-V413 HydrophobicContact CE1-CG2 4.06Å; F355-V413 HydrophobicContact CE2-CB 4.5Å; F355-V413 HydrophobicContact CE2-CG1 4.12Å; F355-V413 HydrophobicContact CE2-CG2 3.5Å; F355-V413 HydrophobicContact CG-CG1 3.81Å; F355-V413 HydrophobicContact CG-CG2 4.2Å; F355-V413 HydrophobicContact CZ-CG2 3.65Å; R409-V413 WeakPolarHBondContact O-CG2 3.31Å; R409-V413 PolarHBondContact O-N 3.14Å; M410-V413 PolarHBondContact O-N 3.02Å; V413-G415 PolarHBondContact O-N 3.26Å
414	L	97	Very high	83.8	Confident	22 Å²	22	58.7 Å²	58.7	12%	0.115	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	0	174.1	-67	169.6	0	0	0	113.9	F105 L131 Y136 Q221 M410 Q412 K416	F105-L414 HydrophobicContact CE2-CD1 3.68Å; F105-L414 HydrophobicContact CE2-CD2 3.94Å; F105-L414 HydrophobicContact CE2-CG 4.49Å; F105-L414 HydrophobicContact CZ-CD1 4.22Å; F105-L414 HydrophobicContact CZ-CD2 4.48Å; L131-L414 HydrophobicContact CD2-CD1 3.99Å; Y136-L414 HydrophobicContact CE2-CD1 4.32Å; Q221-L414 HydrophobicContact CG-CD2 4.31Å; M410-L414 HydrophobicContact CE-CD1 4.05Å; M410-L414 HydrophobicContact CG-CD1 4.11Å; M410-L414 VanDerWaalsContact O-CG 3.31Å; M410-L414 WeakPolarHBondContact O-CG 3.36Å; M410-L414 PolarHBondContact O-N 2.67Å; Q412-L414 PolarHBondContact O-N 3.34Å; L414-K416 VanDerWaalsContact C-N 3.29Å; L414-K416 HydrophobicContact CB-CG 4.15Å; L414-K416 PolarHBondContact O-N 3.49Å
415	G	94.7	Very high	81.7	Confident	66 Å²	66	51.7 Å²	51.7	68%	0.68	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	19.6	-179.6	0	0	0	0	0	114.7	L411 Q412 V413	L411-G415 PolarHBondContact O-N 2.7Å; Q412-G415 WeakPolarHBondContact O-CA 3.5Å; Q412-G415 PolarHBondContact O-N 3.16Å; V413-G415 PolarHBondContact O-N 3.26Å
416	K	90.9	Very high	79.8	Confident	74 Å²	74	55.1 Å²	55.1	32%	0.322	30%	0.3	S	S	.	.	S	Bend	trans	-94.9	-22.4	-177.4	-62	-60.8	-174.4	158.9	0	113.9	H134 Y136 L411 L414	H134-K416 HydrophobicContact CB-CB 4.28Å; H134-K416 HydrophobicContact CB-CD 4.46Å; H134-K416 HydrophobicContact CB-CG 4.26Å; H134-K416 PolarHBondContact O-NZ 2.77Å; H134-K416 VanDerWaalsContact O-NZ 3.16Å; Y136-K416 HydrophobicContact CE2-CD 4.24Å; Y136-K416 HydrophobicContact CE2-CG 3.97Å; Y136-K416 WeakPolarHBondContact OH-CE 3.32Å; L411-K416 HydrophobicContact CB-CB 4.36Å; L411-K416 HydrophobicContact CD2-CB 4.17Å; L411-K416 HydrophobicContact CD2-CG 4.45Å; L411-K416 WeakPolarHBondContact O-CA 3.41Å; L411-K416 WeakPolarHBondContact O-CB 3.41Å; L411-K416 PolarHBondContact O-N 3.42Å; L414-K416 VanDerWaalsContact C-N 3.29Å; L414-K416 HydrophobicContact CB-CG 4.15Å; L414-K416 PolarHBondContact O-N 3.49Å
417	V	85.9	Confident	77.5	Confident	28 Å²	28	64.1 Å²	64.1	17%	0.17	33%	0.334	C	S	.	.	S	Bend	trans	-127.8	140.2	178.4	177.1	0	0	0	0	108.6	L411 Q412	L411-V417 HydrophobicContact CB-CB 4.34Å; L411-V417 HydrophobicContact CB-CG2 3.75Å; L411-V417 HydrophobicContact CD1-CG2 4.39Å; L411-V417 PolarHBondContact O-N 2.95Å; Q412-V417 HydrophobicContact CG-CB 4.05Å; Q412-V417 HydrophobicContact CG-CG1 4.14Å
418	P	78.8	Confident	75.3	Confident	51 Å²	51	65.9 Å²	65.9	33%	0.331	35%	0.347	S	S	.	.			trans	-57	143	176.9	-23.8	33	0	0	0	112.5	Q412 G420 A425	Q412-P418 PolarHBondContact NE2-O 3.36Å; P418-G420 PolarHBondContact O-N 2.81Å; P418-A425 HydrophobicContact CB-CB 4.3Å; P418-A425 HydrophobicContact CG-CB 4.28Å
419	E	71.3	Confident	73.2	Confident	154 Å²	154	70.2 Å²	70.2	72%	0.72	36%	0.363	S	S	*	.	S	Bend	trans	-65.8	126.1	162.8	-61.4	-165.4	145.8	0	0	108.6
420	G	63	Low	71.3	Confident	22 Å²	22	76.1 Å²	76.1	23%	0.227	39%	0.386	C	S	.	.	S	Bend	trans	133.4	163.4	-178.1	0	0	0	0	0	115.1	R408 P418 E424	R408-G420 PolarHBondContact NH2-O 2.96Å; P418-G420 PolarHBondContact O-N 2.81Å; G420-E424 WeakPolarHBondContact CA-OE2 3.48Å
421	S	56.2	Low	69.1	Low	45 Å²	45	82.8 Å²	82.8	32%	0.315	42%	0.417	S	S	.	.			trans	-59.9	157.6	174.5	78.6	0	0	0	0	110.8	E423 E424 A425	S421-E423 PolarHBondContact O-N 3.01Å; S421-E423 VanDerWaalsContact O-N 3.08Å; S421-E423 PolarHBondContact OG-N 3.14Å; S421-E424 PolarHBondContact N-OE2 3.41Å; S421-E424 PolarHBondContact O-N 2.95Å; S421-E424 WeakPolarHBondContact OG-CG 3.34Å; S421-E424 PolarHBondContact OG-N 3.29Å; S421-E424 VanDerWaalsContact OG-N 3.1Å; S421-A425 PolarHBondContact O-N 3.25Å
422	P	56.2	Low	66.9	Low	78 Å²	78	87.5 Å²	87.5	51%	0.506	44%	0.441	S	S	.	.	H	α-helix	trans	-51.7	-31.4	173	-24.4	32.9	0	0	0	112.9	N426	P422-N426 WeakPolarHBondContact O-CB 3.42Å; P422-N426 PolarHBondContact O-N 3.48Å
423	E	52.5	Low	64.7	Low	154 Å²	154	95.7 Å²	95.7	72%	0.72	47%	0.471	S	S	*	.	H	α-helix	trans	-71.3	-42.4	176.7	-60.6	-178.3	160.8	0	0	112.2	S421 N426 R427	S421-E423 PolarHBondContact O-N 3.01Å; S421-E423 VanDerWaalsContact O-N 3.08Å; S421-E423 PolarHBondContact OG-N 3.14Å; E423-N426 PolarHBondContact O-N 3.23Å; E423-R427 PolarHBondContact O-N 3.35Å
424	E	48.1	Very low	62.5	Low	116 Å²	116	95.1 Å²	95.1	54%	0.542	48%	0.475	S	S	.	.	H	α-helix	trans	-66.4	-40.2	174.6	-71.3	169	162.9	0	0	111.6	G420 S421 N426 R427 S428	G420-E424 WeakPolarHBondContact CA-OE2 3.48Å; S421-E424 PolarHBondContact N-OE2 3.41Å; S421-E424 PolarHBondContact O-N 2.95Å; S421-E424 WeakPolarHBondContact OG-CG 3.34Å; S421-E424 PolarHBondContact OG-N 3.29Å; S421-E424 VanDerWaalsContact OG-N 3.1Å; E424-N426 VanDerWaalsContact C-N 3.34Å; E424-N426 PolarHBondContact O-N 3.11Å; E424-R427 PolarHBondContact O-N 2.96Å; E424-S428 PolarHBondContact O-N 2.86Å
425	A	50.8	Low	60.4	Low	11 Å²	11	102.2 Å²	102.2	9%	0.091	51%	0.505	C	S	.	.	H	α-helix	trans	-66	-35	175.1	0	0	0	0	0	112.4	P418 S421 S428 R429	P418-A425 HydrophobicContact CB-CB 4.3Å; P418-A425 HydrophobicContact CG-CB 4.28Å; S421-A425 PolarHBondContact O-N 3.25Å; A425-S428 PolarHBondContact O-OG 2.93Å; A425-R429 WeakPolarHBondContact O-CG 3.43Å; A425-R429 PolarHBondContact O-N 3.42Å; A425-R429 VanDerWaalsContact O-N 3.15Å
426	N	54	Low	58.2	Low	97 Å²	97	106.6 Å²	106.6	52%	0.519	51%	0.506	S	S	.	.	H	α-helix	trans	-72.3	-35.1	173.2	-87.7	-18.9	0	0	0	112.3	P422 E423 E424 R430	P422-N426 WeakPolarHBondContact O-CB 3.42Å; P422-N426 PolarHBondContact O-N 3.48Å; E423-N426 PolarHBondContact O-N 3.23Å; E424-N426 VanDerWaalsContact C-N 3.34Å; E424-N426 PolarHBondContact O-N 3.11Å; N426-R430 WeakPolarHBondContact O-CG 3.38Å; N426-R430 PolarHBondContact O-N 2.82Å; N426-R430 VanDerWaalsContact O-N 3.09Å
427	R	48.7	Very low	56.4	Low	189 Å²	189	109.8 Å²	109.8	71%	0.713	52%	0.524	S	S	*	.	H	α-helix	trans	-63.5	-48.4	171.7	-84.2	-173.9	-177.1	179.9	3.1	111.6	E423 E424 R429 R430 E431	E423-R427 PolarHBondContact O-N 3.35Å; E424-R427 PolarHBondContact O-N 2.96Å; R427-R429 VanDerWaalsContact C-N 3.34Å; R427-R429 PolarHBondContact O-N 3.09Å; R427-R430 PolarHBondContact O-N 2.97Å; R427-R430 VanDerWaalsContact O-N 3.08Å; R427-E431 PolarHBondContact O-N 3.4Å
428	S	52.2	Low	54.5	Low	40 Å²	40	119.6 Å²	119.6	28%	0.28	56%	0.559	S	S	.	*	H	α-helix	trans	-62.2	-40	179.9	69.4	0	0	0	0	112.2	E424 A425 R430 E431 I432	E424-S428 PolarHBondContact O-N 2.86Å; A425-S428 PolarHBondContact O-OG 2.93Å; S428-R430 PolarHBondContact O-N 3.42Å; S428-E431 PolarHBondContact O-N 3.17Å; S428-I432 VanDerWaalsContact O-CG1 3.3Å; S428-I432 WeakPolarHBondContact O-CG1 3.38Å; S428-I432 PolarHBondContact O-N 3.09Å
429	R	51.9	Low	52.8	Low	167 Å²	167	124.3 Å²	124.3	63%	0.63	59%	0.592	S	S	*	*	H	α-helix	trans	-62.2	-38.6	172.8	-78	-178.6	177.4	-171	-0.6	113	A425 R427 R433	A425-R429 WeakPolarHBondContact O-CG 3.43Å; A425-R429 PolarHBondContact O-N 3.42Å; A425-R429 VanDerWaalsContact O-N 3.15Å; R427-R429 VanDerWaalsContact C-N 3.34Å; R427-R429 PolarHBondContact O-N 3.09Å; R429-R433 PolarHBondContact O-N 2.76Å; R429-R433 VanDerWaalsContact O-N 3.14Å
430	R	55.6	Low	51.8	Low	203 Å²	203	122.8 Å²	122.8	77%	0.766	59%	0.586	S	S	*	*	H	α-helix	trans	-69.6	-39.1	176.1	-77.2	-178.8	179	-174	1	112	N426 R427 S428 R433 G434	N426-R430 WeakPolarHBondContact O-CG 3.38Å; N426-R430 PolarHBondContact O-N 2.82Å; N426-R430 VanDerWaalsContact O-N 3.09Å; R427-R430 PolarHBondContact O-N 2.97Å; R427-R430 VanDerWaalsContact O-N 3.08Å; S428-R430 PolarHBondContact O-N 3.42Å; R430-R433 PolarHBondContact O-N 2.98Å; R430-G434 PolarHBondContact O-N 3.28Å
431	E	51.2	Low	51.2	Low	141 Å²	141	128.1 Å²	128.1	66%	0.659	61%	0.605	S	S	*	*	H	α-helix	trans	-67	-40.5	176.7	-76.1	-177.4	170.4	0	0	112.6	R427 S428 G434 K435	R427-E431 PolarHBondContact O-N 3.4Å; S428-E431 PolarHBondContact O-N 3.17Å; E431-G434 PolarHBondContact O-N 3.12Å; E431-K435 PolarHBondContact O-N 3.4Å
432	I	53.2	Low	51	Low	107 Å²	107	132.7 Å²	132.7	55%	0.549	62%	0.621	S	S	.	*	H	α-helix	trans	-62.4	-45.2	174.5	-66.8	166.7	0	0	0	110.3	S428 G434 K435 F436	S428-I432 VanDerWaalsContact O-CG1 3.3Å; S428-I432 WeakPolarHBondContact O-CG1 3.38Å; S428-I432 PolarHBondContact O-N 3.09Å; I432-G434 VanDerWaalsContact C-N 3.32Å; I432-G434 PolarHBondContact O-N 3.05Å; I432-K435 PolarHBondContact O-N 3.38Å; I432-F436 PolarHBondContact O-N 3.47Å
433	R	49.4	Very low	50.7	Low	196 Å²	196	135.9 Å²	135.9	74%	0.74	63%	0.628	S	S	*	*	H	α-helix	trans	-63.4	-36.6	173.9	-86.3	-176.4	163	-178.1	-4.5	112.8	R429 R430 K435 F436 I437	R429-R433 PolarHBondContact O-N 2.76Å; R429-R433 VanDerWaalsContact O-N 3.14Å; R430-R433 PolarHBondContact O-N 2.98Å; R433-K435 VanDerWaalsContact C-N 3.31Å; R433-K435 PolarHBondContact O-N 3.1Å; R433-F436 PolarHBondContact O-N 2.89Å; R433-I437 WeakPolarHBondContact O-CG1 3.34Å; R433-I437 PolarHBondContact O-N 2.95Å
434	G	50.8	Low	50.5	Low	37 Å²	37	134.8 Å²	134.8	38%	0.381	62%	0.622	S	S	.	*	H	α-helix	trans	-64.8	-32.2	177.8	0	0	0	0	0	113.6	R430 E431 I432	R430-G434 PolarHBondContact O-N 3.28Å; E431-G434 PolarHBondContact O-N 3.12Å; I432-G434 VanDerWaalsContact C-N 3.32Å; I432-G434 PolarHBondContact O-N 3.05Å
435	K	52.1	Low	50.7	Low	171 Å²	171	136.1 Å²	136.1	74%	0.743	63%	0.627	S	S	*	*	H	α-helix	trans	-72.1	-32.7	175	-75.1	-173.9	177.7	178.8	0	113.2	E431 I432 R433 I437	E431-K435 PolarHBondContact O-N 3.4Å; I432-K435 PolarHBondContact O-N 3.38Å; R433-K435 VanDerWaalsContact C-N 3.31Å; R433-K435 PolarHBondContact O-N 3.1Å; K435-I437 VanDerWaalsContact C-N 3.32Å; K435-I437 PolarHBondContact O-N 3.06Å
436	F	50.3	Low	50.7	Low	158 Å²	158	145 Å²	145	69%	0.693	67%	0.666	S	S	*	*	H	α-helix	trans	-76.5	-15.6	176.4	-87.2	-80.6	0	0	0	114.2	I432 R433	I432-F436 PolarHBondContact O-N 3.47Å; R433-F436 PolarHBondContact O-N 2.89Å
437	I	52.8	Low	50.4	Low	140 Å²	140	148.7 Å²	148.7	72%	0.718	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-7.7	177.5	-62.9	169.3	0	0	0	111.7	R433 K435	R433-I437 WeakPolarHBondContact O-CG1 3.34Å; R433-I437 PolarHBondContact O-N 2.95Å; K435-I437 VanDerWaalsContact C-N 3.32Å; K435-I437 PolarHBondContact O-N 3.06Å
438	R	45.9	Very low	50.6	Low	235 Å²	235	145.3 Å²	145.3	89%	0.887	67%	0.674	S	S	*	*			trans	-111.6	13.7	178.1	-75.1	-167	176.2	-169.1	0.3	115.1
439	S	41.8	Very low	50.4	Low	149 Å²	149	154.9 Å²	154.9	100%	1.042	71%	0.71	S	S	*	*			trans	-101.1	0	159.7	64.3	0	0	0	0	108.9

Retrieved 439 of 439 residues in 92 ms (Link to these results)

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