A0A077YYG8_TRITR Loading...

DUF3437 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YYG8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 248 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	65.5	Low	77	Confident	104 Å²	104	80.5 Å²	80.5	51%	0.512	40%	0.402	S	S	.	.				0	-55.4	0	-154.2	171.5	-149.8	0	0	111.4	T3 L4 Q5 E39 D42 L45	M1-T3 VanDerWaalsContact C-N 3.31Å; M1-T3 PolarHBondContact O-N 3.3Å; M1-L4 PolarHBondContact O-N 3.25Å; M1-L4 VanDerWaalsContact O-N 3.13Å; M1-Q5 PolarHBondContact O-N 3.39Å; M1-E39 HydrophobicContact CE-CG 4.32Å; M1-D42 HydrophobicContact CE-CB 3.2Å; M1-D42 WeakPolarHBondContact CE-OD2 3.25Å; M1-D42 HydrophobicContact SD-CB 4.36Å; M1-L45 HydrophobicContact CE-CB 4.49Å; M1-L45 HydrophobicContact CE-CD2 3.48Å; M1-L45 VanDerWaalsContact CE-CD2 3.48Å; M1-L45 HydrophobicContact CG-CD2 4Å
2	L	75.5	Confident	77	Confident	137 Å²	137	80.5 Å²	80.5	72%	0.717	40%	0.398	S	S	*	.	H	α-helix	trans	-49.9	-46.4	173.1	-78.5	146.3	0	0	0	113.2	L4 Q5 T6	L2-L4 PolarHBondContact O-N 3.06Å; L2-Q5 PolarHBondContact O-N 3.05Å; L2-T6 PolarHBondContact O-N 3.1Å; L2-T6 PolarHBondContact O-OG1 2.97Å
3	T	78.9	Confident	76.9	Confident	106 Å²	106	86.5 Å²	86.5	65%	0.65	42%	0.42	S	S	*	.	H	α-helix	trans	-57	-44.2	177.6	49.7	0	0	0	0	113.4	M1 T6 L7	M1-T3 VanDerWaalsContact C-N 3.31Å; M1-T3 PolarHBondContact O-N 3.3Å; T3-T6 PolarHBondContact O-N 3.42Å; T3-L7 WeakPolarHBondContact O-CB 3.49Å; T3-L7 VanDerWaalsContact O-CG 3.31Å; T3-L7 WeakPolarHBondContact O-CG 3.42Å; T3-L7 PolarHBondContact O-N 3.43Å
4	L	76.4	Confident	76.4	Confident	16 Å²	16	82.4 Å²	82.4	8%	0.084	41%	0.405	C	S	.	.	H	α-helix	trans	-69.3	-40.1	177.6	-179.7	64.2	0	0	0	111.5	M1 L2 L7 L8 I29 F36 L45	M1-L4 PolarHBondContact O-N 3.25Å; M1-L4 VanDerWaalsContact O-N 3.13Å; L2-L4 PolarHBondContact O-N 3.06Å; L4-L7 PolarHBondContact O-N 2.97Å; L4-L8 HydrophobicContact CD1-CD1 4.39Å; L4-L8 HydrophobicContact CD1-CG 4.31Å; L4-L8 HydrophobicContact CG-CD1 3.99Å; L4-L8 HydrophobicContact CG-CG 4.37Å; L4-L8 WeakPolarHBondContact O-CB 3.5Å; L4-L8 VanDerWaalsContact O-CG 3.24Å; L4-L8 WeakPolarHBondContact O-CG 3.36Å; L4-L8 PolarHBondContact O-N 3.02Å; L4-I29 HydrophobicContact CD1-CD1 4.1Å; L4-F36 HydrophobicContact CD2-CB 4.04Å; L4-F36 HydrophobicContact CD2-CD1 4.33Å; L4-F36 HydrophobicContact CD2-CD2 3.08Å; L4-F36 HydrophobicContact CD2-CE2 3.5Å; L4-F36 VanDerWaalsContact CD2-CE2 3.5Å; L4-F36 HydrophobicContact CD2-CG 3.57Å; L4-F36 HydrophobicContact CD2-CZ 4.27Å; L4-L45 HydrophobicContact CD2-CD1 3.82Å; L4-L45 HydrophobicContact CD2-CD2 4.29Å; L4-L45 HydrophobicContact CG-CD1 4.05Å
5	Q	78.5	Confident	75.9	Confident	46 Å²	46	77.7 Å²	77.7	22%	0.215	38%	0.382	C	S	.	.	H	α-helix	trans	-61.2	-46.1	174.7	-71.6	176.9	-16.7	0	0	110.9	M1 L2 L7 L8 W9 D42 L45	M1-Q5 PolarHBondContact O-N 3.39Å; L2-Q5 PolarHBondContact O-N 3.05Å; Q5-L7 VanDerWaalsContact C-N 3.35Å; Q5-L7 PolarHBondContact O-N 3.09Å; Q5-L8 WeakPolarHBondContact O-CB 3.39Å; Q5-L8 PolarHBondContact O-N 3.19Å; Q5-L8 VanDerWaalsContact O-N 3.14Å; Q5-W9 PolarHBondContact O-N 3.08Å; Q5-D42 PolarHBondContact NE2-OD2 3.07Å; Q5-L45 HydrophobicContact CG-CD1 4.03Å
6	T	80.8	Confident	75.4	Confident	94 Å²	94	76.6 Å²	76.6	58%	0.577	38%	0.384	S	S	*	.	H	α-helix	trans	-60	-44.6	175.4	-54.6	0	0	0	0	111.5	L2 T3 L8 W9 F10	L2-T6 PolarHBondContact O-N 3.1Å; L2-T6 PolarHBondContact O-OG1 2.97Å; T3-T6 PolarHBondContact O-N 3.42Å; T6-L8 VanDerWaalsContact C-N 3.34Å; T6-L8 PolarHBondContact O-N 3.14Å; T6-W9 PolarHBondContact O-N 3.44Å; T6-F10 PolarHBondContact O-N 2.81Å
7	L	79.6	Confident	74.8	Confident	84 Å²	84	77.7 Å²	77.7	44%	0.44	39%	0.392	S	S	.	.	H	α-helix	trans	-59.5	-45.5	173.3	-75.5	171.3	0	0	0	110.9	T3 L4 Q5 W9 F10 F11 I29	T3-L7 WeakPolarHBondContact O-CB 3.49Å; T3-L7 VanDerWaalsContact O-CG 3.31Å; T3-L7 WeakPolarHBondContact O-CG 3.42Å; T3-L7 PolarHBondContact O-N 3.43Å; L4-L7 PolarHBondContact O-N 2.97Å; Q5-L7 VanDerWaalsContact C-N 3.35Å; Q5-L7 PolarHBondContact O-N 3.09Å; L7-W9 VanDerWaalsContact C-N 3.32Å; L7-W9 PolarHBondContact O-N 2.9Å; L7-F10 CarbonylContact O-C 3.38Å; L7-F10 WeakPolarHBondContact O-CA 3.43Å; L7-F10 WeakPolarHBondContact O-CB 3.32Å; L7-F10 PolarHBondContact O-N 3.14Å; L7-F10 VanDerWaalsContact O-N 3.12Å; L7-F11 HydrophobicContact CB-CD2 4.43Å; L7-F11 WeakPolarHBondContact O-CB 3.39Å; L7-F11 VanDerWaalsContact O-CD2 3.22Å; L7-F11 WeakPolarHBondContact O-CD2 3.38Å; L7-F11 PolarHBondContact O-N 3.41Å; L7-I29 HydrophobicContact CB-CD1 4.36Å
8	L	79.5	Confident	73.9	Confident	4 Å²	4	79.9 Å²	79.9	2%	0.021	40%	0.402	C	S	.	.	H	α-helix	trans	-64	-35.1	178.8	-75.8	168.2	0	0	0	113.1	L4 Q5 T6 F11 K12 L33 L45 M48 C49 A52	L4-L8 HydrophobicContact CD1-CD1 4.39Å; L4-L8 HydrophobicContact CD1-CG 4.31Å; L4-L8 HydrophobicContact CG-CD1 3.99Å; L4-L8 HydrophobicContact CG-CG 4.37Å; L4-L8 WeakPolarHBondContact O-CB 3.5Å; L4-L8 VanDerWaalsContact O-CG 3.24Å; L4-L8 WeakPolarHBondContact O-CG 3.36Å; L4-L8 PolarHBondContact O-N 3.02Å; Q5-L8 WeakPolarHBondContact O-CB 3.39Å; Q5-L8 PolarHBondContact O-N 3.19Å; Q5-L8 VanDerWaalsContact O-N 3.14Å; T6-L8 VanDerWaalsContact C-N 3.34Å; T6-L8 PolarHBondContact O-N 3.14Å; L8-F11 PolarHBondContact O-N 3.16Å; L8-K12 VanDerWaalsContact O-CB 3.24Å; L8-K12 WeakPolarHBondContact O-CB 3.26Å; L8-K12 PolarHBondContact O-N 3.15Å; L8-L33 HydrophobicContact CD2-CD2 3.45Å; L8-L33 VanDerWaalsContact CD2-CD2 3.45Å; L8-L33 HydrophobicContact CG-CD2 4.4Å; L8-L45 HydrophobicContact CD1-CD1 3.39Å; L8-M48 HydrophobicContact CB-CB 4.38Å; L8-M48 HydrophobicContact CB-CE 3.56Å; L8-M48 HydrophobicContact CD1-CB 3.9Å; L8-C49 VanDerWaalsContact CD1-SG 3.52Å; L8-A52 HydrophobicContact CD2-CB 4.01Å
9	W	80.2	Confident	73.2	Confident	143 Å²	143	77.5 Å²	77.5	54%	0.542	40%	0.4	S	S	.	.	H	α-helix	trans	-65.4	-43.2	170.9	-80.3	110.5	0	0	0	111.5	Q5 T6 L7 K12 F13 M48	Q5-W9 PolarHBondContact O-N 3.08Å; T6-W9 PolarHBondContact O-N 3.44Å; L7-W9 VanDerWaalsContact C-N 3.32Å; L7-W9 PolarHBondContact O-N 2.9Å; W9-K12 HydrophobicContact CE3-CD 4.18Å; W9-K12 HydrophobicContact CZ3-CD 4.16Å; W9-K12 WeakPolarHBondContact O-CB 3.45Å; W9-K12 PolarHBondContact O-N 3.11Å; W9-F13 WeakPolarHBondContact O-CB 3.41Å; W9-F13 PolarHBondContact O-N 3.22Å; W9-M48 HydrophobicContact CB-CE 4.5Å; W9-M48 VanDerWaalsContact CD1-CE 3.41Å; W9-M48 HydrophobicContact CD2-CE 3.83Å; W9-M48 HydrophobicContact CG-CE 3.67Å; W9-M48 HydrophobicContact CZ2-CE 4.42Å; W9-M48 VanDerWaalsContact NE1-CE 3.34Å
10	F	77.7	Confident	73.4	Confident	131 Å²	131	77.9 Å²	77.9	58%	0.575	40%	0.398	S	S	*	.	H	α-helix	trans	-62.4	-44.7	173	176.6	-96.4	0	0	0	111.5	T6 L7 F13 S14	T6-F10 PolarHBondContact O-N 2.81Å; L7-F10 CarbonylContact O-C 3.38Å; L7-F10 WeakPolarHBondContact O-CA 3.43Å; L7-F10 WeakPolarHBondContact O-CB 3.32Å; L7-F10 PolarHBondContact O-N 3.14Å; L7-F10 VanDerWaalsContact O-N 3.12Å; F10-F13 PolarHBondContact O-N 3.01Å; F10-S14 VanDerWaalsContact O-CB 3.26Å; F10-S14 WeakPolarHBondContact O-CB 3.49Å; F10-S14 PolarHBondContact O-N 3.22Å; F10-S14 PolarHBondContact O-OG 3.15Å; F10-S14 VanDerWaalsContact O-OG 3.08Å
11	F	74.7	Confident	73.7	Confident	20 Å²	20	83.6 Å²	83.6	9%	0.088	42%	0.415	C	S	.	.	H	α-helix	trans	-59.4	-48.8	175.4	-95.2	-80.7	0	0	0	110.7	L7 L8 F13 S14 L15 I29	L7-F11 HydrophobicContact CB-CD2 4.43Å; L7-F11 WeakPolarHBondContact O-CB 3.39Å; L7-F11 VanDerWaalsContact O-CD2 3.22Å; L7-F11 WeakPolarHBondContact O-CD2 3.38Å; L7-F11 PolarHBondContact O-N 3.41Å; L8-F11 PolarHBondContact O-N 3.16Å; F11-F13 VanDerWaalsContact C-N 3.34Å; F11-F13 PolarHBondContact O-N 3.15Å; F11-S14 WeakPolarHBondContact CA-OG 3.42Å; F11-S14 PolarHBondContact O-N 3.3Å; F11-S14 PolarHBondContact O-OG 3.27Å; F11-L15 HydrophobicContact CD1-CD1 3.69Å; F11-L15 HydrophobicContact CD1-CG 4.2Å; F11-L15 HydrophobicContact CE1-CD1 4.35Å; F11-L15 VanDerWaalsContact O-CB 3.24Å; F11-L15 WeakPolarHBondContact O-CB 3.46Å; F11-L15 WeakPolarHBondContact O-CG 3.38Å; F11-L15 PolarHBondContact O-N 2.92Å; F11-I29 HydrophobicContact CD2-CD1 3.75Å; F11-I29 HydrophobicContact CE1-CG2 4.06Å; F11-I29 HydrophobicContact CE2-CB 4.26Å; F11-I29 HydrophobicContact CE2-CD1 3.32Å; F11-I29 HydrophobicContact CE2-CG1 4.37Å; F11-I29 HydrophobicContact CE2-CG2 4.08Å; F11-I29 HydrophobicContact CZ-CB 4.1Å; F11-I29 HydrophobicContact CZ-CD1 4.02Å; F11-I29 HydrophobicContact CZ-CG2 3.63Å
12	K	77.2	Confident	74.5	Confident	81 Å²	81	79 Å²	79	35%	0.352	39%	0.392	S	S	.	.	H	α-helix	trans	-52.8	-52.8	172.6	169.4	169.2	179.6	-175.9	0	110.5	L8 W9 S14 S16 Y56	L8-K12 VanDerWaalsContact O-CB 3.24Å; L8-K12 WeakPolarHBondContact O-CB 3.26Å; L8-K12 PolarHBondContact O-N 3.15Å; W9-K12 HydrophobicContact CE3-CD 4.18Å; W9-K12 HydrophobicContact CZ3-CD 4.16Å; W9-K12 WeakPolarHBondContact O-CB 3.45Å; W9-K12 PolarHBondContact O-N 3.11Å; K12-S14 PolarHBondContact O-N 3.34Å; K12-S16 WeakPolarHBondContact O-CA 3.42Å; K12-S16 WeakPolarHBondContact O-CB 3.35Å; K12-S16 PolarHBondContact O-N 3.21Å; K12-S16 PolarHBondContact O-OG 2.98Å; K12-Y56 HydrophobicContact CB-CD2 4.28Å; K12-Y56 HydrophobicContact CB-CE2 3.59Å; K12-Y56 HydrophobicContact CD-CE2 4.17Å; K12-Y56 VanDerWaalsContact CD-OH 3.27Å; K12-Y56 WeakPolarHBondContact CD-OH 3.31Å; K12-Y56 VanDerWaalsContact CE-OH 3.26Å; K12-Y56 WeakPolarHBondContact CE-OH 3.28Å; K12-Y56 HydrophobicContact CG-CE2 3.68Å; K12-Y56 WeakPolarHBondContact CG-OH 3.26Å
13	F	75.3	Confident	74.9	Confident	158 Å²	158	75.6 Å²	75.6	69%	0.693	38%	0.38	S	S	*	.	H	α-helix	trans	-63.9	-39.6	-179.6	-177.5	-99.8	0	0	0	112.9	W9 F10 F11 S16	W9-F13 WeakPolarHBondContact O-CB 3.41Å; W9-F13 PolarHBondContact O-N 3.22Å; F10-F13 PolarHBondContact O-N 3.01Å; F11-F13 VanDerWaalsContact C-N 3.34Å; F11-F13 PolarHBondContact O-N 3.15Å; F13-S16 PolarHBondContact O-OG 3.46Å
14	S	70.6	Confident	75.2	Confident	29 Å²	29	72.8 Å²	72.8	20%	0.203	36%	0.363	C	S	.	.	H	α-helix	trans	-73.3	-36.3	-177.7	68.1	0	0	0	0	112.7	F10 F11 K12 K20	F10-S14 VanDerWaalsContact O-CB 3.26Å; F10-S14 WeakPolarHBondContact O-CB 3.49Å; F10-S14 PolarHBondContact O-N 3.22Å; F10-S14 PolarHBondContact O-OG 3.15Å; F10-S14 VanDerWaalsContact O-OG 3.08Å; F11-S14 WeakPolarHBondContact CA-OG 3.42Å; F11-S14 PolarHBondContact O-N 3.3Å; F11-S14 PolarHBondContact O-OG 3.27Å; K12-S14 PolarHBondContact O-N 3.34Å; S14-K20 WeakPolarHBondContact O-CD 3.35Å; S14-K20 PolarHBondContact O-NZ 3.48Å
15	L	68.4	Low	75.7	Confident	12 Å²	12	77.7 Å²	77.7	6%	0.063	39%	0.386	C	S	.	.	H	α-helix	trans	-105.4	-8.4	-173.9	-56.7	-175.5	0	0	0	113.5	F11 D17 Y56 F57	F11-L15 HydrophobicContact CD1-CD1 3.69Å; F11-L15 HydrophobicContact CD1-CG 4.2Å; F11-L15 HydrophobicContact CE1-CD1 4.35Å; F11-L15 VanDerWaalsContact O-CB 3.24Å; F11-L15 WeakPolarHBondContact O-CB 3.46Å; F11-L15 WeakPolarHBondContact O-CG 3.38Å; F11-L15 PolarHBondContact O-N 2.92Å; L15-D17 PolarHBondContact O-N 3.43Å; L15-Y56 HydrophobicContact CB-CG 4.49Å; L15-F57 HydrophobicContact CD1-CD2 4.5Å
16	S	68.1	Low	76	Confident	60 Å²	60	76.4 Å²	76.4	42%	0.42	38%	0.382	S	S	.	.	S	Bend	trans	-66.8	-22.1	177.9	54.7	0	0	0	0	112.8	K12 F13 M18	K12-S16 WeakPolarHBondContact O-CA 3.42Å; K12-S16 WeakPolarHBondContact O-CB 3.35Å; K12-S16 PolarHBondContact O-N 3.21Å; K12-S16 PolarHBondContact O-OG 2.98Å; F13-S16 PolarHBondContact O-OG 3.46Å; S16-M18 PolarHBondContact O-N 3.21Å
17	D	64.8	Low	76.5	Confident	96 Å²	96	72 Å²	72	51%	0.513	36%	0.355	S	S	.	.	S	Bend	trans	-83.2	106.7	173.9	-165.6	22	0	0	0	108.3	L15 K20	L15-D17 PolarHBondContact O-N 3.43Å; D17-K20 HydrophobicContact CB-CD 4.05Å; D17-K20 VanDerWaalsContact OD2-CE 3.25Å; D17-K20 WeakPolarHBondContact OD2-CE 3.2Å; D17-K20 IonicContact OD2-NZ 3.1Å; D17-K20 PolarHBondContact OD2-NZ 3.35Å
18	M	58.1	Low	77	Confident	117 Å²	117	74.5 Å²	74.5	58%	0.576	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	139.5	-175.1	-61.4	-78.8	-77.7	0	0	109.9	S16 Q59	S16-M18 PolarHBondContact O-N 3.21Å; M18-Q59 HydrophobicContact CE-CB 4.07Å; M18-Q59 HydrophobicContact CE-CG 4.02Å; M18-Q59 HydrophobicContact SD-CB 3.68Å; M18-Q59 HydrophobicContact SD-CG 3.91Å
19	G	61.7	Low	77.5	Confident	35 Å²	35	75.1 Å²	75.1	36%	0.361	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	13.6	175.5	0	0	0	0	0	116	F61	G19-F61 VanDerWaalsContact O-CD2 3.24Å; G19-F61 WeakPolarHBondContact O-CD2 3.49Å
20	K	76.3	Confident	78.1	Confident	84 Å²	84	68.3 Å²	68.3	37%	0.365	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-75.7	149.1	165.5	-76.4	174.5	179.1	168.9	0	111.5	S14 D17 C60 F61	S14-K20 WeakPolarHBondContact O-CD 3.35Å; S14-K20 PolarHBondContact O-NZ 3.48Å; D17-K20 HydrophobicContact CB-CD 4.05Å; D17-K20 VanDerWaalsContact OD2-CE 3.25Å; D17-K20 WeakPolarHBondContact OD2-CE 3.2Å; D17-K20 IonicContact OD2-NZ 3.1Å; D17-K20 PolarHBondContact OD2-NZ 3.35Å; K20-C60 WeakPolarHBondContact O-CA 3.3Å; K20-C60 WeakPolarHBondContact O-CB 3.2Å; K20-F61 PolarHBondContact O-N 2.95Å
21	R	80.7	Confident	78.9	Confident	199 Å²	199	63.2 Å²	63.2	75%	0.751	32%	0.319	S	S	*	.	B	Isolated β-bridge	trans	-77.4	135.6	171.8	-66.8	-177.3	-176.7	-177.8	0.1	109.5
22	V	81.2	Confident	79.7	Confident	6 Å²	6	69.2 Å²	69.2	4%	0.036	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-69.6	131.7	172.3	-179.2	0	0	0	0	109.1	S26 V27 F57 C60 F61 L62 T66	V22-S26 WeakPolarHBondContact CG1-OG 3.24Å; V22-V27 HydrophobicContact CG1-CG2 3.86Å; V22-F57 HydrophobicContact CG1-CE2 3.75Å; V22-F57 HydrophobicContact CG1-CZ 3.76Å; V22-F57 HydrophobicContact CG2-CZ 4.43Å; V22-C60 HydrophobicContact CG2-CB 3.27Å; V22-F61 PolarHBondContact N-O 3.45Å; V22-L62 HydrophobicContact CB-CD2 3.96Å; V22-L62 HydrophobicContact CG1-CD2 4.49Å; V22-L62 HydrophobicContact CG2-CD2 3.63Å; V22-T66 WeakPolarHBondContact O-CG2 3.4Å
23	C	83.6	Confident	80.5	Confident	66 Å²	66	65.5 Å²	65.5	45%	0.446	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-79.9	136.6	173.6	-163	0	0	0	0	109.7	E25 S26	C23-E25 PolarHBondContact O-N 3.45Å; C23-E25 VanDerWaalsContact O-N 3.15Å; C23-E25 PolarHBondContact SG-OE2 2.99Å; C23-S26 PolarHBondContact N-OG 3.35Å; C23-S26 WeakPolarHBondContact O-CA 3.17Å; C23-S26 VanDerWaalsContact O-CB 3.27Å; C23-S26 WeakPolarHBondContact O-CB 3.1Å; C23-S26 PolarHBondContact O-N 3.38Å; C23-S26 PolarHBondContact O-OG 3.05Å
24	P	86.6	Confident	81.4	Confident	47 Å²	47	58 Å²	58	31%	0.305	29%	0.293	S	S	.	.	H	α-helix	trans	-51	-38.7	179.6	-30.2	37.6	0	0	0	114.4	S26 V27 T66 L69	P24-S26 VanDerWaalsContact C-N 3.25Å; P24-S26 PolarHBondContact O-N 3.48Å; P24-V27 WeakPolarHBondContact O-CB 3.42Å; P24-V27 PolarHBondContact O-N 3.36Å; P24-T66 HydrophobicContact CG-CG2 4.1Å; P24-L69 HydrophobicContact CB-CD1 3.76Å
25	E	86.1	Confident	82.5	Confident	120 Å²	120	62.5 Å²	62.5	56%	0.561	31%	0.307	S	S	*	.	H	α-helix	trans	-64.9	-32.9	178.2	-69.9	68.3	-151.9	0	0	112	C23 V27 K28	C23-E25 PolarHBondContact O-N 3.45Å; C23-E25 VanDerWaalsContact O-N 3.15Å; C23-E25 PolarHBondContact SG-OE2 2.99Å; E25-V27 PolarHBondContact O-N 3.47Å; E25-K28 WeakPolarHBondContact O-CB 3.5Å; E25-K28 PolarHBondContact O-N 2.87Å
26	S	85	Confident	83.6	Confident	19 Å²	19	64.1 Å²	64.1	13%	0.133	31%	0.314	C	S	.	.	H	α-helix	trans	-69.2	-24.2	-178.6	80.6	0	0	0	0	111.9	V22 C23 P24 K28 I29	V22-S26 WeakPolarHBondContact CG1-OG 3.24Å; C23-S26 PolarHBondContact N-OG 3.35Å; C23-S26 WeakPolarHBondContact O-CA 3.17Å; C23-S26 VanDerWaalsContact O-CB 3.27Å; C23-S26 WeakPolarHBondContact O-CB 3.1Å; C23-S26 PolarHBondContact O-N 3.38Å; C23-S26 PolarHBondContact O-OG 3.05Å; P24-S26 VanDerWaalsContact C-N 3.25Å; P24-S26 PolarHBondContact O-N 3.48Å; S26-K28 PolarHBondContact O-N 3.38Å; S26-I29 WeakPolarHBondContact O-CG2 3.5Å; S26-I29 PolarHBondContact O-N 3.34Å
27	V	90.8	Very high	84.7	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.012	29%	0.294	C	S	.	.	H	α-helix	trans	-65.1	-29.1	174.7	-172.7	0	0	0	0	111.7	V22 P24 E25 I29 L30 F57 L69 V70 Q73	V22-V27 HydrophobicContact CG1-CG2 3.86Å; P24-V27 WeakPolarHBondContact O-CB 3.42Å; P24-V27 PolarHBondContact O-N 3.36Å; E25-V27 PolarHBondContact O-N 3.47Å; V27-I29 PolarHBondContact O-N 3.18Å; V27-L30 HydrophobicContact CG1-CD1 3.75Å; V27-L30 HydrophobicContact CG1-CG 4.47Å; V27-L30 WeakPolarHBondContact O-CB 3.46Å; V27-L30 WeakPolarHBondContact O-CG 3.45Å; V27-L30 PolarHBondContact O-N 3.26Å; V27-F57 HydrophobicContact CG2-CZ 4.18Å; V27-L69 HydrophobicContact CB-CB 4.37Å; V27-L69 HydrophobicContact CG1-CB 3.96Å; V27-L69 HydrophobicContact CG2-CB 4.48Å; V27-V70 HydrophobicContact CG1-CB 4.34Å; V27-V70 HydrophobicContact CG1-CG2 3.7Å; V27-V70 HydrophobicContact CG2-CG2 4.24Å; V27-Q73 HydrophobicContact CG1-CG 4.03Å
28	K	90.2	Very high	85.9	Confident	136 Å²	136	58.2 Å²	58.2	59%	0.591	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-14.9	-179	-61.3	177	179.4	171.7	0	113.3	E25 S26 L30 P31	E25-K28 WeakPolarHBondContact O-CB 3.5Å; E25-K28 PolarHBondContact O-N 2.87Å; S26-K28 PolarHBondContact O-N 3.38Å; K28-L30 VanDerWaalsContact C-N 3.34Å; K28-P31 WeakPolarHBondContact O-CD 3.5Å
29	I	90.7	Very high	87.2	Confident	16 Å²	16	54.5 Å²	54.5	8%	0.082	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-20.7	176.1	-156	168.7	0	0	0	112.8	L4 L7 F11 S26 V27 Y32 L33	L4-I29 HydrophobicContact CD1-CD1 4.1Å; L7-I29 HydrophobicContact CB-CD1 4.36Å; F11-I29 HydrophobicContact CD2-CD1 3.75Å; F11-I29 HydrophobicContact CE1-CG2 4.06Å; F11-I29 HydrophobicContact CE2-CB 4.26Å; F11-I29 HydrophobicContact CE2-CD1 3.32Å; F11-I29 HydrophobicContact CE2-CG1 4.37Å; F11-I29 HydrophobicContact CE2-CG2 4.08Å; F11-I29 HydrophobicContact CZ-CB 4.1Å; F11-I29 HydrophobicContact CZ-CD1 4.02Å; F11-I29 HydrophobicContact CZ-CG2 3.63Å; S26-I29 WeakPolarHBondContact O-CG2 3.5Å; S26-I29 PolarHBondContact O-N 3.34Å; V27-I29 PolarHBondContact O-N 3.18Å; I29-Y32 WeakPolarHBondContact O-CA 3.29Å; I29-Y32 WeakPolarHBondContact O-CB 3.44Å; I29-Y32 PolarHBondContact O-N 3.49Å; I29-L33 HydrophobicContact CD1-CD2 4.38Å; I29-L33 HydrophobicContact CG1-CD2 4.28Å; I29-L33 HydrophobicContact CG1-CG 4.26Å; I29-L33 HydrophobicContact CG2-CD1 3.81Å; I29-L33 HydrophobicContact CG2-CG 4.02Å; I29-L33 PolarHBondContact O-N 3.48Å; I29-L33 VanDerWaalsContact O-N 3.09Å
30	L	93.5	Very high	88.4	Confident	0 Å²	0	58 Å²	58	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-51.3	-46.2	-171.6	-75.3	177.4	0	0	0	113.8	V27 K28 Y32 L33 F34 L53 F57 V70 Q73 F92	V27-L30 HydrophobicContact CG1-CD1 3.75Å; V27-L30 HydrophobicContact CG1-CG 4.47Å; V27-L30 WeakPolarHBondContact O-CB 3.46Å; V27-L30 WeakPolarHBondContact O-CG 3.45Å; V27-L30 PolarHBondContact O-N 3.26Å; K28-L30 VanDerWaalsContact C-N 3.34Å; L30-Y32 VanDerWaalsContact C-N 3.25Å; L30-Y32 PolarHBondContact O-N 3.14Å; L30-L33 HydrophobicContact CD2-CD1 4.43Å; L30-L33 WeakPolarHBondContact O-CB 3.06Å; L30-L33 PolarHBondContact O-N 3.39Å; L30-F34 HydrophobicContact CB-CD2 4.43Å; L30-F34 HydrophobicContact CB-CE2 3.8Å; L30-F34 HydrophobicContact CB-CZ 4.13Å; L30-F34 HydrophobicContact CD2-CZ 4.25Å; L30-F34 WeakPolarHBondContact O-CD2 3.49Å; L30-F34 VanDerWaalsContact O-CG 3.3Å; L30-F34 WeakPolarHBondContact O-CG 3.41Å; L30-F34 PolarHBondContact O-N 3.32Å; L30-L53 HydrophobicContact CD2-CD2 3.79Å; L30-F57 HydrophobicContact CD1-CE1 4.47Å; L30-F57 HydrophobicContact CD1-CZ 4.09Å; L30-F57 HydrophobicContact CD2-CD2 4.22Å; L30-F57 HydrophobicContact CD2-CE2 4.17Å; L30-F57 HydrophobicContact CD2-CG 4.45Å; L30-F57 HydrophobicContact CD2-CZ 4.35Å; L30-F57 HydrophobicContact CG-CE2 4.35Å; L30-F57 HydrophobicContact CG-CZ 4.41Å; L30-V70 HydrophobicContact CD1-CB 4.42Å; L30-V70 HydrophobicContact CD1-CG1 4.18Å; L30-V70 HydrophobicContact CD1-CG2 4.14Å; L30-Q73 HydrophobicContact CB-CB 4.2Å; L30-Q73 HydrophobicContact CD1-CB 4.28Å; L30-F92 HydrophobicContact CD1-CE1 4.35Å; L30-F92 HydrophobicContact CD1-CZ 4.17Å; L30-F92 HydrophobicContact CD2-CE2 3.99Å; L30-F92 HydrophobicContact CD2-CZ 3.99Å
31	P	93.4	Very high	88.9	Confident	24 Å²	24	58.4 Å²	58.4	16%	0.156	29%	0.286	C	S	.	.	H	α-helix	trans	-57.3	-37.1	177.3	-25.5	35.3	0	0	0	113.8	K28 Y35 Q73	K28-P31 WeakPolarHBondContact O-CD 3.5Å; P31-Y35 PolarHBondContact O-N 3.36Å; P31-Y35 VanDerWaalsContact O-N 3.08Å; P31-Q73 HydrophobicContact CG-CB 4.37Å
32	Y	92	Very high	89.3	Confident	147 Å²	147	50.3 Å²	50.3	58%	0.576	26%	0.258	S	S	*	.	H	α-helix	trans	-70.5	-39.6	176.5	-58.3	-82.6	0	0	0	110.8	I29 L30 Y35 F36	I29-Y32 WeakPolarHBondContact O-CA 3.29Å; I29-Y32 WeakPolarHBondContact O-CB 3.44Å; I29-Y32 PolarHBondContact O-N 3.49Å; L30-Y32 VanDerWaalsContact C-N 3.25Å; L30-Y32 PolarHBondContact O-N 3.14Å; Y32-Y35 WeakPolarHBondContact O-CA 3.46Å; Y32-Y35 WeakPolarHBondContact O-CB 3.37Å; Y32-Y35 PolarHBondContact O-N 3.35Å; Y32-Y35 VanDerWaalsContact O-N 3.17Å; Y32-F36 WeakPolarHBondContact O-CD2 3.43Å; Y32-F36 PolarHBondContact O-N 3.15Å
33	L	93.4	Very high	89.7	Confident	2 Å²	2	54 Å²	54	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-62.7	-43.5	175.3	-59.6	-172	0	0	0	111.8	L8 I29 L30 Y35 F36 D37 C49 A52 L53	L8-L33 HydrophobicContact CD2-CD2 3.45Å; L8-L33 VanDerWaalsContact CD2-CD2 3.45Å; L8-L33 HydrophobicContact CG-CD2 4.4Å; I29-L33 HydrophobicContact CD1-CD2 4.38Å; I29-L33 HydrophobicContact CG1-CD2 4.28Å; I29-L33 HydrophobicContact CG1-CG 4.26Å; I29-L33 HydrophobicContact CG2-CD1 3.81Å; I29-L33 HydrophobicContact CG2-CG 4.02Å; I29-L33 PolarHBondContact O-N 3.48Å; I29-L33 VanDerWaalsContact O-N 3.09Å; L30-L33 HydrophobicContact CD2-CD1 4.43Å; L30-L33 WeakPolarHBondContact O-CB 3.06Å; L30-L33 PolarHBondContact O-N 3.39Å; L33-Y35 PolarHBondContact O-N 2.79Å; L33-F36 PolarHBondContact O-N 3.03Å; L33-D37 WeakPolarHBondContact O-CB 3.37Å; L33-D37 PolarHBondContact O-N 3.42Å; L33-C49 HydrophobicContact CD2-CB 4.5Å; L33-A52 HydrophobicContact CD1-CB 4.03Å; L33-L53 HydrophobicContact CB-CD1 4.01Å; L33-L53 HydrophobicContact CB-CD2 3.69Å; L33-L53 HydrophobicContact CB-CG 3.81Å; L33-L53 HydrophobicContact CD1-CD2 3.97Å; L33-L53 HydrophobicContact CD1-CG 4.29Å; L33-L53 HydrophobicContact CG-CD2 4.5Å
34	F	94.9	Very high	89.9	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.3	-35.4	174.5	-60.1	-42.5	0	0	0	111.8	L30 N38 L53 T77 A85 V89 F92	L30-F34 HydrophobicContact CB-CD2 4.43Å; L30-F34 HydrophobicContact CB-CE2 3.8Å; L30-F34 HydrophobicContact CB-CZ 4.13Å; L30-F34 HydrophobicContact CD2-CZ 4.25Å; L30-F34 WeakPolarHBondContact O-CD2 3.49Å; L30-F34 VanDerWaalsContact O-CG 3.3Å; L30-F34 WeakPolarHBondContact O-CG 3.41Å; L30-F34 PolarHBondContact O-N 3.32Å; F34-N38 PolarHBondContact O-ND2 3.49Å; F34-N38 VanDerWaalsContact O-ND2 3.08Å; F34-L53 HydrophobicContact CD1-CD1 3.73Å; F34-L53 HydrophobicContact CD1-CD2 3.84Å; F34-L53 HydrophobicContact CD1-CG 4.46Å; F34-L53 HydrophobicContact CE1-CD1 4.13Å; F34-L53 HydrophobicContact CE1-CD2 3.5Å; F34-L53 HydrophobicContact CE1-CG 4.45Å; F34-L53 HydrophobicContact CZ-CD2 4.28Å; F34-T77 HydrophobicContact CB-CG2 4.09Å; F34-T77 HydrophobicContact CD2-CG2 3.78Å; F34-T77 HydrophobicContact CG-CG2 4.3Å; F34-A85 HydrophobicContact CB-CB 4.36Å; F34-V89 HydrophobicContact CD1-CG2 4.18Å; F34-V89 HydrophobicContact CD2-CG2 3.68Å; F34-V89 HydrophobicContact CE1-CG2 4.25Å; F34-V89 HydrophobicContact CE2-CG2 3.77Å; F34-V89 HydrophobicContact CG-CG2 3.91Å; F34-V89 HydrophobicContact CZ-CG2 4.07Å; F34-F92 HydrophobicContact CE1-CB 3.6Å; F34-F92 AromaticContact CE1-CD1 3.99Å; F34-F92 HydrophobicContact CE1-CD1 3.99Å; F34-F92 HydrophobicContact CE1-CD2 4.37Å; F34-F92 AromaticContact CE1-CG 3.72Å; F34-F92 HydrophobicContact CE1-CG 3.72Å; F34-F92 HydrophobicContact CZ-CB 4.24Å; F34-F92 AromaticContact CZ-CD1 3.74Å; F34-F92 HydrophobicContact CZ-CD1 3.74Å; F34-F92 HydrophobicContact CZ-CE1 4.3Å; F34-F92 AromaticContact CZ-CG 3.96Å; F34-F92 HydrophobicContact CZ-CG 3.96Å
35	Y	92.3	Very high	90	Very high	124 Å²	124	52 Å²	52	49%	0.486	27%	0.268	S	S	.	.	H	α-helix	trans	-66	-55.4	172.6	-166.4	-92.2	0	0	0	113.2	P31 Y32 L33 D37 N38 W82	P31-Y35 PolarHBondContact O-N 3.36Å; P31-Y35 VanDerWaalsContact O-N 3.08Å; Y32-Y35 WeakPolarHBondContact O-CA 3.46Å; Y32-Y35 WeakPolarHBondContact O-CB 3.37Å; Y32-Y35 PolarHBondContact O-N 3.35Å; Y32-Y35 VanDerWaalsContact O-N 3.17Å; L33-Y35 PolarHBondContact O-N 2.79Å; Y35-D37 PolarHBondContact O-N 3.45Å; Y35-N38 PolarHBondContact O-N 3.26Å; Y35-W82 VanDerWaalsContact CA-CZ3 3.47Å; Y35-W82 HydrophobicContact CD2-CD2 4.45Å; Y35-W82 AromaticContact CD2-CE3 3.82Å; Y35-W82 HydrophobicContact CD2-CE3 3.82Å; Y35-W82 AromaticContact CD2-CH2 3.9Å; Y35-W82 HydrophobicContact CD2-CH2 3.9Å; Y35-W82 HydrophobicContact CD2-CZ2 4.47Å; Y35-W82 AromaticContact CD2-CZ3 3.6Å; Y35-W82 HydrophobicContact CD2-CZ3 3.6Å; Y35-W82 HydrophobicContact CE2-CE3 4.3Å; Y35-W82 HydrophobicContact CE2-CH2 4.35Å; Y35-W82 HydrophobicContact CE2-CZ2 4.48Å; Y35-W82 HydrophobicContact CE2-CZ3 4.32Å; Y35-W82 HydrophobicContact CG-CH2 4.27Å; Y35-W82 HydrophobicContact CG-CZ3 4.14Å; Y35-W82 WeakPolarHBondContact O-CH2 3.43Å
36	F	91.7	Very high	90.2	Very high	46 Å²	46	49 Å²	49	20%	0.202	25%	0.253	C	S	.	.	H	α-helix	trans	-81.5	-11.7	-172.2	-68.9	-72.7	0	0	0	114.3	L4 Y32 L33 N38 E39 L45 C49	L4-F36 HydrophobicContact CD2-CB 4.04Å; L4-F36 HydrophobicContact CD2-CD1 4.33Å; L4-F36 HydrophobicContact CD2-CD2 3.08Å; L4-F36 HydrophobicContact CD2-CE2 3.5Å; L4-F36 VanDerWaalsContact CD2-CE2 3.5Å; L4-F36 HydrophobicContact CD2-CG 3.57Å; L4-F36 HydrophobicContact CD2-CZ 4.27Å; Y32-F36 WeakPolarHBondContact O-CD2 3.43Å; Y32-F36 PolarHBondContact O-N 3.15Å; L33-F36 PolarHBondContact O-N 3.03Å; F36-N38 PolarHBondContact O-N 3.16Å; F36-N38 VanDerWaalsContact O-N 3.12Å; F36-E39 HydrophobicContact CD1-CB 4.41Å; F36-E39 WeakPolarHBondContact O-CB 3.48Å; F36-E39 PolarHBondContact O-N 3.44Å; F36-L45 HydrophobicContact CB-CD2 4.11Å; F36-L45 HydrophobicContact CB-CG 4.2Å; F36-L45 HydrophobicContact CD1-CD2 3.63Å; F36-L45 HydrophobicContact CE1-CD2 4.28Å; F36-L45 HydrophobicContact CG-CD2 4.01Å; F36-C49 WeakPolarHBondContact CB-SG 3.43Å
37	D	91.5	Very high	90.5	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-13.5	167.3	-177.6	33.9	0	0	0	112.9	L33 Y35 K46 C49 R50 L53 R54 S88	L33-D37 WeakPolarHBondContact O-CB 3.37Å; L33-D37 PolarHBondContact O-N 3.42Å; Y35-D37 PolarHBondContact O-N 3.45Å; D37-K46 WeakPolarHBondContact O-CE 3.36Å; D37-K46 WeakPolarHBondContact O-CG 3.43Å; D37-C49 HydrophobicContact CB-CB 4.27Å; D37-R50 VanDerWaalsContact OD1-CB 3.24Å; D37-R50 WeakPolarHBondContact OD1-CB 3.4Å; D37-R50 IonicContact OD1-CZ 3.41Å; D37-R50 IonicContact OD1-NE 2.68Å; D37-R50 PolarHBondContact OD1-NE 3.11Å; D37-R50 IonicContact OD1-NH2 2.78Å; D37-R50 PolarHBondContact OD1-NH2 3.27Å; D37-L53 HydrophobicContact CB-CD1 4Å; D37-R54 IonicContact OD2-NH2 3.49Å; D37-R54 PolarHBondContact OD2-NH2 3.25Å; D37-S88 PolarHBondContact OD2-OG 3.26Å
38	N	90.4	Very high	90.4	Very high	31 Å²	31	56.1 Å²	56.1	17%	0.166	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	10.7	178.1	-58	-81.6	0	0	0	114.2	F34 Y35 F36 W82 K84 S88	F34-N38 PolarHBondContact O-ND2 3.49Å; F34-N38 VanDerWaalsContact O-ND2 3.08Å; Y35-N38 PolarHBondContact O-N 3.26Å; F36-N38 PolarHBondContact O-N 3.16Å; F36-N38 VanDerWaalsContact O-N 3.12Å; N38-W82 HydrophobicContact CB-CH2 3.6Å; N38-W82 HydrophobicContact CB-CZ2 3.73Å; N38-K84 HydrophobicContact CB-CB 3.89Å; N38-K84 HydrophobicContact CB-CD 3.86Å; N38-K84 VanDerWaalsContact CG-CB 3.5Å; N38-K84 PolarHBondContact ND2-O 3.47Å; N38-S88 PolarHBondContact ND2-OG 2.84Å
39	E	85.4	Confident	90.5	Very high	40 Å²	40	49.6 Å²	49.6	19%	0.187	25%	0.254	C	S	.	.			trans	-59	140.4	172.6	-175.8	52	-108.7	0	0	110.3	M1 F36 S41 D42 K46	M1-E39 HydrophobicContact CE-CG 4.32Å; F36-E39 HydrophobicContact CD1-CB 4.41Å; F36-E39 WeakPolarHBondContact O-CB 3.48Å; F36-E39 PolarHBondContact O-N 3.44Å; E39-S41 WeakPolarHBondContact OE1-CB 3.37Å; E39-S41 PolarHBondContact OE1-N 3.27Å; E39-S41 PolarHBondContact OE1-OG 3.39Å; E39-D42 HydrophobicContact CG-CB 4.35Å; E39-K46 WeakPolarHBondContact O-CD 3.35Å
40	T	86.1	Confident	90.6	Very high	109 Å²	109	53.6 Å²	53.6	67%	0.669	27%	0.268	S	S	*	.	S	Bend	trans	-107	-26.6	-178.8	48.8	0	0	0	0	112.6
41	S	87.5	Confident	90.4	Very high	91 Å²	91	58.1 Å²	58.1	64%	0.636	29%	0.289	S	S	*	.	S	Bend	trans	-76.9	-44.6	-177.3	57.4	0	0	0	0	112.6	E39	E39-S41 WeakPolarHBondContact OE1-CB 3.37Å; E39-S41 PolarHBondContact OE1-N 3.27Å; E39-S41 PolarHBondContact OE1-OG 3.39Å
42	D	88.4	Confident	90.3	Very high	29 Å²	29	57.2 Å²	57.2	16%	0.155	28%	0.283	C	S	.	.			trans	-109.2	96.1	-176.9	-175.1	-11.8	0	0	0	111.3	M1 Q5 E39 C44 L45 K46	M1-D42 HydrophobicContact CE-CB 3.2Å; M1-D42 WeakPolarHBondContact CE-OD2 3.25Å; M1-D42 HydrophobicContact SD-CB 4.36Å; Q5-D42 PolarHBondContact NE2-OD2 3.07Å; E39-D42 HydrophobicContact CG-CB 4.35Å; D42-C44 PolarHBondContact O-N 3.06Å; D42-C44 WeakPolarHBondContact OD1-CA 3.36Å; D42-C44 VanDerWaalsContact OD1-CB 3.29Å; D42-C44 WeakPolarHBondContact OD1-CB 3.47Å; D42-C44 PolarHBondContact OD1-N 3.34Å; D42-L45 HydrophobicContact CB-CB 3.91Å; D42-L45 PolarHBondContact O-N 3.47Å; D42-L45 PolarHBondContact OD1-N 3.18Å; D42-L45 VanDerWaalsContact OD2-CB 3.22Å; D42-L45 WeakPolarHBondContact OD2-CB 3.5Å; D42-K46 WeakPolarHBondContact O-CB 3.34Å; D42-K46 PolarHBondContact O-N 3.43Å
43	V	89.6	Confident	90.4	Very high	85 Å²	85	50.2 Å²	50.2	52%	0.515	26%	0.256	S	S	.	.	H	α-helix	trans	-62.3	-31.5	177.7	-179.9	0	0	0	0	111.7	K47	V43-K47 HydrophobicContact CG1-CD 4.29Å; V43-K47 WeakPolarHBondContact O-CB 3.48Å; V43-K47 VanDerWaalsContact O-CG 3.29Å; V43-K47 WeakPolarHBondContact O-CG 3.49Å; V43-K47 PolarHBondContact O-N 3.03Å; V43-K47 VanDerWaalsContact O-N 3.09Å
44	C	88.3	Confident	90.3	Very high	71 Å²	71	54 Å²	54	48%	0.48	27%	0.27	S	S	.	.	H	α-helix	trans	-70.5	-51.7	179.6	-169.9	0	0	0	0	110.2	D42 K46 K47 M48	D42-C44 PolarHBondContact O-N 3.06Å; D42-C44 WeakPolarHBondContact OD1-CA 3.36Å; D42-C44 VanDerWaalsContact OD1-CB 3.29Å; D42-C44 WeakPolarHBondContact OD1-CB 3.47Å; D42-C44 PolarHBondContact OD1-N 3.34Å; C44-K46 VanDerWaalsContact C-N 3.29Å; C44-K46 PolarHBondContact O-N 3.39Å; C44-K47 PolarHBondContact O-N 2.78Å; C44-K47 VanDerWaalsContact O-N 3.12Å; C44-M48 WeakPolarHBondContact O-CG 3.09Å; C44-M48 PolarHBondContact O-N 3.48Å
45	L	89.1	Confident	89.9	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-56.7	-44.7	176.7	176.5	62.9	0	0	0	111.6	M1 L4 Q5 L8 F36 D42 K47 M48 C49	M1-L45 HydrophobicContact CE-CB 4.49Å; M1-L45 HydrophobicContact CE-CD2 3.48Å; M1-L45 VanDerWaalsContact CE-CD2 3.48Å; M1-L45 HydrophobicContact CG-CD2 4Å; L4-L45 HydrophobicContact CD2-CD1 3.82Å; L4-L45 HydrophobicContact CD2-CD2 4.29Å; L4-L45 HydrophobicContact CG-CD1 4.05Å; Q5-L45 HydrophobicContact CG-CD1 4.03Å; L8-L45 HydrophobicContact CD1-CD1 3.39Å; F36-L45 HydrophobicContact CB-CD2 4.11Å; F36-L45 HydrophobicContact CB-CG 4.2Å; F36-L45 HydrophobicContact CD1-CD2 3.63Å; F36-L45 HydrophobicContact CE1-CD2 4.28Å; F36-L45 HydrophobicContact CG-CD2 4.01Å; D42-L45 HydrophobicContact CB-CB 3.91Å; D42-L45 PolarHBondContact O-N 3.47Å; D42-L45 PolarHBondContact OD1-N 3.18Å; D42-L45 VanDerWaalsContact OD2-CB 3.22Å; D42-L45 WeakPolarHBondContact OD2-CB 3.5Å; L45-K47 PolarHBondContact O-N 3.49Å; L45-M48 PolarHBondContact O-N 3.26Å; L45-C49 PolarHBondContact O-N 3.23Å; L45-C49 PolarHBondContact O-SG 3.06Å
46	K	90.8	Very high	89.6	Confident	57 Å²	57	50.3 Å²	50.3	25%	0.248	26%	0.26	C	S	.	.	H	α-helix	trans	-55.5	-50.5	175.3	-176.3	-172.2	-168.2	154	0	111.9	D37 E39 D42 C44 M48 C49 R50	D37-K46 WeakPolarHBondContact O-CE 3.36Å; D37-K46 WeakPolarHBondContact O-CG 3.43Å; E39-K46 WeakPolarHBondContact O-CD 3.35Å; D42-K46 WeakPolarHBondContact O-CB 3.34Å; D42-K46 PolarHBondContact O-N 3.43Å; C44-K46 VanDerWaalsContact C-N 3.29Å; C44-K46 PolarHBondContact O-N 3.39Å; K46-M48 VanDerWaalsContact C-N 3.34Å; K46-M48 PolarHBondContact O-N 3.24Å; K46-C49 PolarHBondContact O-N 3.12Å; K46-R50 WeakPolarHBondContact O-CB 3.21Å; K46-R50 PolarHBondContact O-N 2.71Å
47	K	90.2	Very high	89.5	Confident	140 Å²	140	48.3 Å²	48.3	61%	0.609	25%	0.251	S	S	*	.	H	α-helix	trans	-61.5	-42.1	178.3	-76.1	175.6	-179.8	-179.3	0	111.6	V43 C44 L45 R50 H51	V43-K47 HydrophobicContact CG1-CD 4.29Å; V43-K47 WeakPolarHBondContact O-CB 3.48Å; V43-K47 VanDerWaalsContact O-CG 3.29Å; V43-K47 WeakPolarHBondContact O-CG 3.49Å; V43-K47 PolarHBondContact O-N 3.03Å; V43-K47 VanDerWaalsContact O-N 3.09Å; C44-K47 PolarHBondContact O-N 2.78Å; C44-K47 VanDerWaalsContact O-N 3.12Å; L45-K47 PolarHBondContact O-N 3.49Å; K47-R50 PolarHBondContact O-N 3.11Å; K47-H51 WeakPolarHBondContact O-CB 2.83Å; K47-H51 PolarHBondContact O-N 3.21Å
48	M	89.5	Confident	89.3	Confident	29 Å²	29	48.2 Å²	48.2	14%	0.143	25%	0.251	C	S	.	.	H	α-helix	trans	-62.6	-48	177.4	-68.4	176.9	79.1	0	0	111.8	L8 W9 C44 L45 K46 R50 H51 A52	L8-M48 HydrophobicContact CB-CB 4.38Å; L8-M48 HydrophobicContact CB-CE 3.56Å; L8-M48 HydrophobicContact CD1-CB 3.9Å; W9-M48 HydrophobicContact CB-CE 4.5Å; W9-M48 VanDerWaalsContact CD1-CE 3.41Å; W9-M48 HydrophobicContact CD2-CE 3.83Å; W9-M48 HydrophobicContact CG-CE 3.67Å; W9-M48 HydrophobicContact CZ2-CE 4.42Å; W9-M48 VanDerWaalsContact NE1-CE 3.34Å; C44-M48 WeakPolarHBondContact O-CG 3.09Å; C44-M48 PolarHBondContact O-N 3.48Å; L45-M48 PolarHBondContact O-N 3.26Å; K46-M48 VanDerWaalsContact C-N 3.34Å; K46-M48 PolarHBondContact O-N 3.24Å; M48-R50 VanDerWaalsContact C-N 3.35Å; M48-R50 PolarHBondContact O-N 2.89Å; M48-H51 PolarHBondContact O-N 3Å; M48-A52 WeakPolarHBondContact O-CB 3.46Å; M48-A52 PolarHBondContact O-N 2.63Å
49	C	91.9	Very high	89.1	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.9	-44.7	177	-65.7	0	0	0	0	111.4	L8 L33 F36 D37 L45 K46 H51 A52 L53	L8-C49 VanDerWaalsContact CD1-SG 3.52Å; L33-C49 HydrophobicContact CD2-CB 4.5Å; F36-C49 WeakPolarHBondContact CB-SG 3.43Å; D37-C49 HydrophobicContact CB-CB 4.27Å; L45-C49 PolarHBondContact O-N 3.23Å; L45-C49 PolarHBondContact O-SG 3.06Å; K46-C49 PolarHBondContact O-N 3.12Å; C49-H51 VanDerWaalsContact C-N 3.31Å; C49-H51 PolarHBondContact O-N 3.41Å; C49-A52 PolarHBondContact O-N 2.87Å; C49-L53 WeakPolarHBondContact O-CG 3.18Å; C49-L53 PolarHBondContact O-N 3.15Å
50	R	92	Very high	89.2	Confident	100 Å²	100	49.2 Å²	49.2	38%	0.377	25%	0.254	S	S	.	.	H	α-helix	trans	-58.3	-44.4	177.5	-171	168.2	-63.3	177	-5.1	112.6	D37 K46 K47 M48 L53 R54	D37-R50 VanDerWaalsContact OD1-CB 3.24Å; D37-R50 WeakPolarHBondContact OD1-CB 3.4Å; D37-R50 IonicContact OD1-CZ 3.41Å; D37-R50 IonicContact OD1-NE 2.68Å; D37-R50 PolarHBondContact OD1-NE 3.11Å; D37-R50 IonicContact OD1-NH2 2.78Å; D37-R50 PolarHBondContact OD1-NH2 3.27Å; K46-R50 WeakPolarHBondContact O-CB 3.21Å; K46-R50 PolarHBondContact O-N 2.71Å; K47-R50 PolarHBondContact O-N 3.11Å; M48-R50 VanDerWaalsContact C-N 3.35Å; M48-R50 PolarHBondContact O-N 2.89Å; R50-L53 PolarHBondContact O-N 3.01Å; R50-R54 WeakPolarHBondContact O-CB 3.22Å; R50-R54 PolarHBondContact O-N 3.23Å
51	H	90.3	Very high	89.1	Confident	95 Å²	95	50.2 Å²	50.2	44%	0.44	25%	0.249	S	C	.	.	H	α-helix	trans	-74.7	-31.4	-178.4	-165.7	55	0	0	0	111.9	K47 M48 C49 G55 Y56	K47-H51 WeakPolarHBondContact O-CB 2.83Å; K47-H51 PolarHBondContact O-N 3.21Å; M48-H51 PolarHBondContact O-N 3Å; C49-H51 VanDerWaalsContact C-N 3.31Å; C49-H51 PolarHBondContact O-N 3.41Å; H51-G55 CarbonylContact O-C 3.51Å; H51-G55 WeakPolarHBondContact O-CA 3.29Å; H51-G55 PolarHBondContact O-N 3.47Å; H51-Y56 AromaticContact CD2-CE1 3.68Å; H51-Y56 AromaticContact CD2-CE2 3.42Å; H51-Y56 VanDerWaalsContact CD2-CE2 3.42Å; H51-Y56 WeakPolarHBondContact CD2-CE2 3.33Å; H51-Y56 AromaticContact CD2-CZ 3.06Å; H51-Y56 PolarHBondContact CD2-OH 3.2Å; H51-Y56 AromaticContact NE2-CE1 3.38Å; H51-Y56 WeakPolarHBondContact NE2-CE1 3.42Å; H51-Y56 AromaticContact NE2-CZ 3.23Å; H51-Y56 PolarHBondContact NE2-OH 3.43Å; H51-Y56 PolarHBondContact O-N 2.99Å
52	A	91	Very high	89.2	Confident	4 Å²	4	46.6 Å²	46.6	3%	0.033	22%	0.223	C	C	.	.	I	π-helix	trans	-61.7	-46.1	168.2	0	0	0	0	0	111.6	L8 L33 M48 C49 Y56 F57	L8-A52 HydrophobicContact CD2-CB 4.01Å; L33-A52 HydrophobicContact CD1-CB 4.03Å; M48-A52 WeakPolarHBondContact O-CB 3.46Å; M48-A52 PolarHBondContact O-N 2.63Å; C49-A52 PolarHBondContact O-N 2.87Å; A52-Y56 HydrophobicContact CB-CD2 4.43Å; A52-F57 VanDerWaalsContact O-CB 3.25Å; A52-F57 WeakPolarHBondContact O-CB 3.31Å; A52-F57 PolarHBondContact O-N 3.13Å
53	L	93	Very high	89.3	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	23%	0.232	C	C	.	.	I	π-helix	trans	-71.2	-37	-179.4	-71.6	174.8	0	0	0	114	L30 L33 F34 D37 C49 R50 P58 F92	L30-L53 HydrophobicContact CD2-CD2 3.79Å; L33-L53 HydrophobicContact CB-CD1 4.01Å; L33-L53 HydrophobicContact CB-CD2 3.69Å; L33-L53 HydrophobicContact CB-CG 3.81Å; L33-L53 HydrophobicContact CD1-CD2 3.97Å; L33-L53 HydrophobicContact CD1-CG 4.29Å; L33-L53 HydrophobicContact CG-CD2 4.5Å; F34-L53 HydrophobicContact CD1-CD1 3.73Å; F34-L53 HydrophobicContact CD1-CD2 3.84Å; F34-L53 HydrophobicContact CD1-CG 4.46Å; F34-L53 HydrophobicContact CE1-CD1 4.13Å; F34-L53 HydrophobicContact CE1-CD2 3.5Å; F34-L53 HydrophobicContact CE1-CG 4.45Å; F34-L53 HydrophobicContact CZ-CD2 4.28Å; D37-L53 HydrophobicContact CB-CD1 4Å; C49-L53 WeakPolarHBondContact O-CG 3.18Å; C49-L53 PolarHBondContact O-N 3.15Å; R50-L53 PolarHBondContact O-N 3.01Å; L53-P58 WeakPolarHBondContact O-CD 3.14Å; L53-P58 WeakPolarHBondContact O-CG 3.24Å; L53-F92 HydrophobicContact CB-CD2 4.22Å; L53-F92 HydrophobicContact CD2-CD2 3.76Å; L53-F92 HydrophobicContact CD2-CE2 4.31Å; L53-F92 HydrophobicContact CD2-CG 4.3Å; L53-F92 VanDerWaalsContact O-CD2 3.25Å; L53-F92 WeakPolarHBondContact O-CD2 3.3Å
54	R	91.5	Very high	89.3	Confident	81 Å²	81	50.7 Å²	50.7	31%	0.306	24%	0.239	S	C	.	.	I	π-helix	trans	-111.8	-7.6	-171.6	-56.5	177.9	-153.3	-137.6	1.1	114.5	D37 R50 Q91	D37-R54 IonicContact OD2-NH2 3.49Å; D37-R54 PolarHBondContact OD2-NH2 3.25Å; R50-R54 WeakPolarHBondContact O-CB 3.22Å; R50-R54 PolarHBondContact O-N 3.23Å; R54-Q91 VanDerWaalsContact NH1-CD 3.32Å
55	G	87.4	Confident	89.4	Confident	15 Å²	15	51.8 Å²	51.8	16%	0.155	24%	0.244	C	C	.	.	I	π-helix	trans	-114.6	-74.8	178.4	0	0	0	0	0	109.7	H51 Q59	H51-G55 CarbonylContact O-C 3.51Å; H51-G55 WeakPolarHBondContact O-CA 3.29Å; H51-G55 PolarHBondContact O-N 3.47Å; G55-Q59 WeakPolarHBondContact O-CG 3.29Å
56	Y	85.9	Confident	89.6	Confident	32 Å²	32	51.8 Å²	51.8	13%	0.125	24%	0.244	C	C	.	.	I	π-helix	trans	-71.3	-52.7	-166.7	-54.2	-42.1	0	0	0	114.4	K12 L15 H51 A52 Q59 C60	K12-Y56 HydrophobicContact CB-CD2 4.28Å; K12-Y56 HydrophobicContact CB-CE2 3.59Å; K12-Y56 HydrophobicContact CD-CE2 4.17Å; K12-Y56 VanDerWaalsContact CD-OH 3.27Å; K12-Y56 WeakPolarHBondContact CD-OH 3.31Å; K12-Y56 VanDerWaalsContact CE-OH 3.26Å; K12-Y56 WeakPolarHBondContact CE-OH 3.28Å; K12-Y56 HydrophobicContact CG-CE2 3.68Å; K12-Y56 WeakPolarHBondContact CG-OH 3.26Å; L15-Y56 HydrophobicContact CB-CG 4.49Å; H51-Y56 AromaticContact CD2-CE1 3.68Å; H51-Y56 AromaticContact CD2-CE2 3.42Å; H51-Y56 VanDerWaalsContact CD2-CE2 3.42Å; H51-Y56 WeakPolarHBondContact CD2-CE2 3.33Å; H51-Y56 AromaticContact CD2-CZ 3.06Å; H51-Y56 PolarHBondContact CD2-OH 3.2Å; H51-Y56 AromaticContact NE2-CE1 3.38Å; H51-Y56 WeakPolarHBondContact NE2-CE1 3.42Å; H51-Y56 AromaticContact NE2-CZ 3.23Å; H51-Y56 PolarHBondContact NE2-OH 3.43Å; H51-Y56 PolarHBondContact O-N 2.99Å; A52-Y56 HydrophobicContact CB-CD2 4.43Å; Y56-Q59 PolarHBondContact O-N 3.41Å; Y56-C60 PolarHBondContact O-SG 3.41Å
57	F	89	Confident	89.8	Confident	3 Å²	3	49.1 Å²	49.1	1%	0.013	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-47.2	-171.6	-166.5	-72.9	0	0	0	112.7	L15 V22 V27 L30 A52 Q59 C60 L62 V70 F92	L15-F57 HydrophobicContact CD1-CD2 4.5Å; V22-F57 HydrophobicContact CG1-CE2 3.75Å; V22-F57 HydrophobicContact CG1-CZ 3.76Å; V22-F57 HydrophobicContact CG2-CZ 4.43Å; V27-F57 HydrophobicContact CG2-CZ 4.18Å; L30-F57 HydrophobicContact CD1-CE1 4.47Å; L30-F57 HydrophobicContact CD1-CZ 4.09Å; L30-F57 HydrophobicContact CD2-CD2 4.22Å; L30-F57 HydrophobicContact CD2-CE2 4.17Å; L30-F57 HydrophobicContact CD2-CG 4.45Å; L30-F57 HydrophobicContact CD2-CZ 4.35Å; L30-F57 HydrophobicContact CG-CE2 4.35Å; L30-F57 HydrophobicContact CG-CZ 4.41Å; A52-F57 VanDerWaalsContact O-CB 3.25Å; A52-F57 WeakPolarHBondContact O-CB 3.31Å; A52-F57 PolarHBondContact O-N 3.13Å; F57-Q59 PolarHBondContact O-N 3.18Å; F57-C60 WeakPolarHBondContact O-CB 3.5Å; F57-C60 PolarHBondContact O-N 3Å; F57-L62 HydrophobicContact CE1-CD2 4.08Å; F57-V70 HydrophobicContact CE1-CG2 3.65Å; F57-V70 HydrophobicContact CZ-CG2 3.64Å; F57-F92 HydrophobicContact CB-CE2 4.28Å; F57-F92 AromaticContact CD1-CE2 3.55Å; F57-F92 HydrophobicContact CD1-CE2 3.55Å; F57-F92 AromaticContact CD1-CZ 3.59Å; F57-F92 HydrophobicContact CD1-CZ 3.59Å; F57-F92 HydrophobicContact CE1-CE2 4.17Å; F57-F92 AromaticContact CE1-CZ 3.72Å; F57-F92 HydrophobicContact CE1-CZ 3.72Å; F57-F92 HydrophobicContact CG-CE2 4.09Å; F57-F92 HydrophobicContact CG-CZ 4.46Å
58	P	88.4	Confident	90	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-26.4	177	-28.3	39.6	0	0	0	114.9	L53 C60 F92 V95 C96 S99 N100	L53-P58 WeakPolarHBondContact O-CD 3.14Å; L53-P58 WeakPolarHBondContact O-CG 3.24Å; P58-C60 VanDerWaalsContact C-N 3.29Å; P58-F92 HydrophobicContact CG-CE2 4.39Å; P58-V95 HydrophobicContact CB-CB 4.2Å; P58-V95 HydrophobicContact CB-CG1 3.61Å; P58-V95 HydrophobicContact CG-CB 4.03Å; P58-V95 HydrophobicContact CG-CG1 3.77Å; P58-C96 HydrophobicContact CG-CB 4.47Å; P58-S99 WeakPolarHBondContact O-CB 3.32Å; P58-N100 PolarHBondContact O-ND2 3.22Å
59	Q	85.8	Confident	90.3	Very high	90 Å²	90	45.3 Å²	45.3	42%	0.421	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-8	-179.1	-64.2	-80.6	4.5	0	0	113.2	M18 G55 Y56 F57	M18-Q59 HydrophobicContact CE-CB 4.07Å; M18-Q59 HydrophobicContact CE-CG 4.02Å; M18-Q59 HydrophobicContact SD-CB 3.68Å; M18-Q59 HydrophobicContact SD-CG 3.91Å; G55-Q59 WeakPolarHBondContact O-CG 3.29Å; Y56-Q59 PolarHBondContact O-N 3.41Å; F57-Q59 PolarHBondContact O-N 3.18Å
60	C	86.7	Confident	90.5	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.007	22%	0.222	C	C	.	.	S	Bend	trans	-86.7	147.5	177.9	-63.9	0	0	0	0	110.6	K20 V22 Y56 F57 P58 L62 N100	K20-C60 WeakPolarHBondContact O-CA 3.3Å; K20-C60 WeakPolarHBondContact O-CB 3.2Å; V22-C60 HydrophobicContact CG2-CB 3.27Å; Y56-C60 PolarHBondContact O-SG 3.41Å; F57-C60 WeakPolarHBondContact O-CB 3.5Å; F57-C60 PolarHBondContact O-N 3Å; P58-C60 VanDerWaalsContact C-N 3.29Å; C60-L62 PolarHBondContact O-N 2.83Å; C60-N100 PolarHBondContact O-OD1 2.94Å; C60-N100 VanDerWaalsContact O-OD1 3.11Å
61	F	85.4	Confident	90.7	Very high	130 Å²	130	40.6 Å²	40.6	57%	0.57	20%	0.204	S	C	*	.	B	Isolated β-bridge	trans	-71.9	125.3	177	-69	-65.3	0	0	0	110.8	G19 K20 V22	G19-F61 VanDerWaalsContact O-CD2 3.24Å; G19-F61 WeakPolarHBondContact O-CD2 3.49Å; K20-F61 PolarHBondContact O-N 2.95Å; V22-F61 PolarHBondContact N-O 3.45Å
62	L	90	Very high	91.1	Very high	15 Å²	15	38.7 Å²	38.7	8%	0.079	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-92.5	134.4	171.3	-58.4	179.5	0	0	0	110.5	V22 F57 C60 T66 V70 N100 C103 F104	V22-L62 HydrophobicContact CB-CD2 3.96Å; V22-L62 HydrophobicContact CG1-CD2 4.49Å; V22-L62 HydrophobicContact CG2-CD2 3.63Å; F57-L62 HydrophobicContact CE1-CD2 4.08Å; C60-L62 PolarHBondContact O-N 2.83Å; L62-T66 WeakPolarHBondContact CA-OG1 3.26Å; L62-V70 HydrophobicContact CD2-CG2 4.38Å; L62-N100 HydrophobicContact CD1-CB 4.27Å; L62-C103 PolarHBondContact O-SG 3.32Å; L62-F104 HydrophobicContact CD1-CE2 3.76Å; L62-F104 HydrophobicContact CD1-CZ 3.69Å
63	T	89.6	Confident	91.3	Very high	56 Å²	56	40.6 Å²	40.6	34%	0.344	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-87.3	161.6	161.1	68.1	0	0	0	0	110.2	T65 T66 A67	T63-T65 PolarHBondContact O-N 3.33Å; T63-T66 PolarHBondContact N-OG1 2.75Å; T63-T66 CarbonylContact O-C 3.54Å; T63-T66 PolarHBondContact O-N 3.17Å; T63-T66 PolarHBondContact O-OG1 3.3Å; T63-T66 PolarHBondContact OG1-N 3.03Å; T63-T66 PolarHBondContact OG1-OG1 3.26Å; T63-A67 WeakPolarHBondContact O-CB 3.48Å; T63-A67 PolarHBondContact O-N 3.5Å
64	E	89.4	Confident	91.5	Very high	144 Å²	144	40.6 Å²	40.6	67%	0.673	21%	0.205	S	C	*	.	H	α-helix	trans	-49.6	-43	175	-67.5	174.1	-171.9	0	0	112.7	T66 A67 S68 Y109	E64-T66 PolarHBondContact O-N 3.36Å; E64-A67 PolarHBondContact O-N 3.42Å; E64-S68 PolarHBondContact O-N 3.49Å; E64-Y109 PolarHBondContact O-OH 2.8Å
65	T	91.6	Very high	91.8	Very high	94 Å²	94	39.7 Å²	39.7	58%	0.577	21%	0.205	S	C	*	.	H	α-helix	trans	-60.4	-48.6	176.1	-47.7	0	0	0	0	111.7	T63 L69	T63-T65 PolarHBondContact O-N 3.33Å; T65-L69 WeakPolarHBondContact O-CG 3.14Å; T65-L69 PolarHBondContact O-N 3.03Å; T65-L69 VanDerWaalsContact O-N 3.17Å
66	T	92.7	Very high	92.3	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	22%	0.22	C	C	.	.	H	α-helix	trans	-69.8	-34.8	179	56	0	0	0	0	112.7	V22 P24 L62 T63 E64 L69 V70	V22-T66 WeakPolarHBondContact O-CG2 3.4Å; P24-T66 HydrophobicContact CG-CG2 4.1Å; L62-T66 WeakPolarHBondContact CA-OG1 3.26Å; T63-T66 PolarHBondContact N-OG1 2.75Å; T63-T66 CarbonylContact O-C 3.54Å; T63-T66 PolarHBondContact O-N 3.17Å; T63-T66 PolarHBondContact O-OG1 3.3Å; T63-T66 PolarHBondContact OG1-N 3.03Å; T63-T66 PolarHBondContact OG1-OG1 3.26Å; E64-T66 PolarHBondContact O-N 3.36Å; T66-L69 PolarHBondContact O-N 3.33Å; T66-V70 WeakPolarHBondContact O-CB 3.33Å; T66-V70 WeakPolarHBondContact O-CG2 3.4Å; T66-V70 PolarHBondContact O-N 3.44Å
67	A	93.9	Very high	92.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.6	-44.4	176.5	0	0	0	0	0	110.9	T63 E64 L69 V70 L71 F104	T63-A67 WeakPolarHBondContact O-CB 3.48Å; T63-A67 PolarHBondContact O-N 3.5Å; E64-A67 PolarHBondContact O-N 3.42Å; A67-L69 PolarHBondContact O-N 2.82Å; A67-V70 PolarHBondContact O-N 2.99Å; A67-L71 WeakPolarHBondContact O-CG 3.36Å; A67-L71 PolarHBondContact O-N 2.85Å; A67-F104 HydrophobicContact CB-CD1 4.33Å; A67-F104 HydrophobicContact CB-CE1 3.77Å; A67-F104 HydrophobicContact CB-CZ 4.12Å
68	S	95.5	Very high	93.1	Very high	37 Å²	37	41.6 Å²	41.6	26%	0.259	22%	0.218	S	C	.	.	H	α-helix	trans	-58.6	-48.8	172.9	-170.3	0	0	0	0	111.7	E64 V70 L71 D72 R112	E64-S68 PolarHBondContact O-N 3.49Å; S68-V70 VanDerWaalsContact C-N 3.3Å; S68-V70 PolarHBondContact O-N 3.31Å; S68-L71 PolarHBondContact O-N 3.13Å; S68-D72 PolarHBondContact O-N 3.18Å; S68-R112 PolarHBondContact OG-NH1 3.01Å
69	L	95.7	Very high	93.4	Very high	53 Å²	53	45.1 Å²	45.1	28%	0.277	25%	0.254	S	S	.	.	H	α-helix	trans	-61.8	-37.9	179.2	-69.7	172.8	0	0	0	112.5	P24 V27 T65 T66 A67 D72 Q73	P24-L69 HydrophobicContact CB-CD1 3.76Å; V27-L69 HydrophobicContact CB-CB 4.37Å; V27-L69 HydrophobicContact CG1-CB 3.96Å; V27-L69 HydrophobicContact CG2-CB 4.48Å; T65-L69 WeakPolarHBondContact O-CG 3.14Å; T65-L69 PolarHBondContact O-N 3.03Å; T65-L69 VanDerWaalsContact O-N 3.17Å; T66-L69 PolarHBondContact O-N 3.33Å; A67-L69 PolarHBondContact O-N 2.82Å; L69-D72 PolarHBondContact O-N 2.77Å; L69-Q73 WeakPolarHBondContact O-CG 3.16Å; L69-Q73 PolarHBondContact O-N 2.94Å
70	V	95.8	Very high	93.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.9	-48.7	176.4	167.3	0	0	0	0	109.8	V27 L30 F57 L62 T66 A67 S68 D72 Q73 C74 F92	V27-V70 HydrophobicContact CG1-CB 4.34Å; V27-V70 HydrophobicContact CG1-CG2 3.7Å; V27-V70 HydrophobicContact CG2-CG2 4.24Å; L30-V70 HydrophobicContact CD1-CB 4.42Å; L30-V70 HydrophobicContact CD1-CG1 4.18Å; L30-V70 HydrophobicContact CD1-CG2 4.14Å; F57-V70 HydrophobicContact CE1-CG2 3.65Å; F57-V70 HydrophobicContact CZ-CG2 3.64Å; L62-V70 HydrophobicContact CD2-CG2 4.38Å; T66-V70 WeakPolarHBondContact O-CB 3.33Å; T66-V70 WeakPolarHBondContact O-CG2 3.4Å; T66-V70 PolarHBondContact O-N 3.44Å; A67-V70 PolarHBondContact O-N 2.99Å; S68-V70 VanDerWaalsContact C-N 3.3Å; S68-V70 PolarHBondContact O-N 3.31Å; V70-D72 PolarHBondContact O-N 3.5Å; V70-Q73 PolarHBondContact O-N 3.07Å; V70-C74 PolarHBondContact O-N 3.12Å; V70-C74 PolarHBondContact O-SG 3Å; V70-C74 VanDerWaalsContact O-SG 3.34Å; V70-F92 HydrophobicContact CG1-CE1 3.59Å; V70-F92 HydrophobicContact CG1-CZ 3.9Å
71	L	96.9	Very high	93.9	Very high	0 Å²	0	51 Å²	51	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62.9	-40.8	177	-65.8	179.8	0	0	0	111.8	A67 S68 Q73 C74 E75 L93 F104 Y109 R112 V113	A67-L71 WeakPolarHBondContact O-CG 3.36Å; A67-L71 PolarHBondContact O-N 2.85Å; S68-L71 PolarHBondContact O-N 3.13Å; L71-Q73 VanDerWaalsContact C-N 3.3Å; L71-Q73 PolarHBondContact O-N 2.96Å; L71-C74 WeakPolarHBondContact O-CB 3.4Å; L71-C74 PolarHBondContact O-N 3.46Å; L71-C74 VanDerWaalsContact O-N 3.13Å; L71-E75 WeakPolarHBondContact O-CB 3.4Å; L71-E75 VanDerWaalsContact O-CG 3.31Å; L71-E75 WeakPolarHBondContact O-CG 3.24Å; L71-E75 PolarHBondContact O-N 3.42Å; L71-L93 HydrophobicContact CD2-CD2 3.97Å; L71-F104 HydrophobicContact CD1-CD1 4.38Å; L71-F104 HydrophobicContact CD1-CE1 4.19Å; L71-F104 HydrophobicContact CD2-CE1 4.23Å; L71-F104 HydrophobicContact CG-CE1 4.08Å; L71-Y109 HydrophobicContact CD1-CD1 3.66Å; L71-Y109 HydrophobicContact CD1-CG 4.33Å; L71-R112 HydrophobicContact CD1-CB 4.29Å; L71-V113 HydrophobicContact CD1-CG2 4.32Å; L71-V113 HydrophobicContact CD2-CG2 3.68Å
72	D	97.1	Very high	94.3	Very high	55 Å²	55	48.7 Å²	48.7	29%	0.294	29%	0.285	S	S	.	.	H	α-helix	trans	-58.2	-43.2	176.3	-60.6	-22.5	0	0	0	111.3	S68 L69 V70 T76 R112	S68-D72 PolarHBondContact O-N 3.18Å; L69-D72 PolarHBondContact O-N 2.77Å; V70-D72 PolarHBondContact O-N 3.5Å; D72-T76 WeakPolarHBondContact O-CB 3.37Å; D72-T76 PolarHBondContact O-N 2.94Å; D72-T76 PolarHBondContact O-OG1 3.38Å; D72-R112 IonicContact OD1-CZ 3.22Å; D72-R112 IonicContact OD1-NH1 3.78Å; D72-R112 PolarHBondContact OD1-NH1 3.02Å; D72-R112 IonicContact OD1-NH2 3.54Å; D72-R112 PolarHBondContact OD1-NH2 3.27Å
73	Q	96.5	Very high	94.6	Very high	45 Å²	45	52 Å²	52	21%	0.21	30%	0.296	C	S	.	.	H	α-helix	trans	-68.3	-38.8	176.8	-65.7	-49.3	-47.1	0	0	112.3	V27 L30 P31 L69 V70 L71 T77	V27-Q73 HydrophobicContact CG1-CG 4.03Å; L30-Q73 HydrophobicContact CB-CB 4.2Å; L30-Q73 HydrophobicContact CD1-CB 4.28Å; P31-Q73 HydrophobicContact CG-CB 4.37Å; L69-Q73 WeakPolarHBondContact O-CG 3.16Å; L69-Q73 PolarHBondContact O-N 2.94Å; V70-Q73 PolarHBondContact O-N 3.07Å; L71-Q73 VanDerWaalsContact C-N 3.3Å; L71-Q73 PolarHBondContact O-N 2.96Å; Q73-T77 VanDerWaalsContact O-CB 3.25Å; Q73-T77 WeakPolarHBondContact O-CB 3.35Å; Q73-T77 PolarHBondContact O-N 3.08Å; Q73-T77 PolarHBondContact O-OG1 3.05Å
74	C	97.4	Very high	94.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.8	-49.7	176	-74.3	0	0	0	0	111.5	V70 L71 T77 A78 V89 L93 L116	V70-C74 PolarHBondContact O-N 3.12Å; V70-C74 PolarHBondContact O-SG 3Å; V70-C74 VanDerWaalsContact O-SG 3.34Å; L71-C74 WeakPolarHBondContact O-CB 3.4Å; L71-C74 PolarHBondContact O-N 3.46Å; L71-C74 VanDerWaalsContact O-N 3.13Å; C74-T77 PolarHBondContact O-N 3.43Å; C74-A78 WeakPolarHBondContact O-CB 3.26Å; C74-A78 PolarHBondContact O-N 2.9Å; C74-V89 HydrophobicContact CB-CG1 3.79Å; C74-L93 HydrophobicContact CB-CD1 4.44Å; C74-L93 HydrophobicContact CB-CD2 4.35Å; C74-L116 HydrophobicContact CB-CD2 4.37Å
75	E	97.5	Very high	95.2	Very high	63 Å²	63	45.8 Å²	45.8	29%	0.294	26%	0.263	S	S	.	.	H	α-helix	trans	-61.9	-47.3	177.9	-71.2	165.5	-177	0	0	111.1	L71 T77 A78 G79 R112 L116	L71-E75 WeakPolarHBondContact O-CB 3.4Å; L71-E75 VanDerWaalsContact O-CG 3.31Å; L71-E75 WeakPolarHBondContact O-CG 3.24Å; L71-E75 PolarHBondContact O-N 3.42Å; E75-T77 VanDerWaalsContact C-N 3.29Å; E75-T77 PolarHBondContact O-N 3.39Å; E75-A78 PolarHBondContact O-N 3.22Å; E75-G79 PolarHBondContact O-N 3.05Å; E75-R112 IonicContact OE1-CZ 3.68Å; E75-R112 IonicContact OE1-NE 3.7Å; E75-R112 PolarHBondContact OE1-NE 3.02Å; E75-R112 IonicContact OE1-NH2 2.88Å; E75-R112 PolarHBondContact OE1-NH2 2.89Å; E75-R112 VanDerWaalsContact OE1-NH2 3.1Å; E75-R112 IonicContact OE2-CZ 2.64Å; E75-R112 IonicContact OE2-NE 3.83Å; E75-R112 IonicContact OE2-NH2 3.62Å; E75-R112 PolarHBondContact OE2-NH2 3.25Å; E75-L116 HydrophobicContact CG-CD2 4.17Å
76	T	96.6	Very high	95.5	Very high	76 Å²	76	42.4 Å²	42.4	47%	0.466	24%	0.239	S	C	.	.	H	α-helix	trans	-59.5	-41.3	176.6	-61.3	0	0	0	0	111.7	D72	D72-T76 WeakPolarHBondContact O-CB 3.37Å; D72-T76 PolarHBondContact O-N 2.94Å; D72-T76 PolarHBondContact O-OG1 3.38Å
77	T	96.5	Very high	95.7	Very high	4 Å²	4	43.1 Å²	43.1	3%	0.025	24%	0.244	C	C	.	.	H	α-helix	trans	-72.8	-39	178.9	-59.4	0	0	0	0	111.5	F34 Q73 C74 E75 G79 K80 A85 V89	F34-T77 HydrophobicContact CB-CG2 4.09Å; F34-T77 HydrophobicContact CD2-CG2 3.78Å; F34-T77 HydrophobicContact CG-CG2 4.3Å; Q73-T77 VanDerWaalsContact O-CB 3.25Å; Q73-T77 WeakPolarHBondContact O-CB 3.35Å; Q73-T77 PolarHBondContact O-N 3.08Å; Q73-T77 PolarHBondContact O-OG1 3.05Å; C74-T77 PolarHBondContact O-N 3.43Å; E75-T77 VanDerWaalsContact C-N 3.29Å; E75-T77 PolarHBondContact O-N 3.39Å; T77-G79 VanDerWaalsContact C-N 3.29Å; T77-G79 PolarHBondContact O-N 3.12Å; T77-K80 WeakPolarHBondContact O-CB 3.48Å; T77-K80 PolarHBondContact O-N 3.12Å; T77-K80 VanDerWaalsContact O-N 3.16Å; T77-A85 HydrophobicContact CG2-CB 3.73Å; T77-V89 HydrophobicContact CG2-CG2 3.73Å
78	A	96.3	Very high	95.9	Very high	10 Å²	10	43.2 Å²	43.2	8%	0.083	24%	0.244	C	C	.	.	H	α-helix	trans	-65.4	-31	176.7	0	0	0	0	0	112.7	C74 E75 K80 R86 L116 L120	C74-A78 WeakPolarHBondContact O-CB 3.26Å; C74-A78 PolarHBondContact O-N 2.9Å; E75-A78 PolarHBondContact O-N 3.22Å; A78-K80 PolarHBondContact O-N 3.35Å; A78-R86 WeakPolarHBondContact O-CD 3.45Å; A78-L116 HydrophobicContact CB-CD1 3.6Å; A78-L120 HydrophobicContact CB-CD1 4.28Å; A78-L120 HydrophobicContact CB-CD2 4.44Å
79	G	94.4	Very high	96	Very high	73 Å²	73	41.4 Å²	41.4	75%	0.753	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-11.5	173.8	0	0	0	0	0	114.6	E75 T77	E75-G79 PolarHBondContact O-N 3.05Å; T77-G79 VanDerWaalsContact C-N 3.29Å; T77-G79 PolarHBondContact O-N 3.12Å
80	K	93.5	Very high	96.1	Very high	114 Å²	114	38.9 Å²	38.9	50%	0.496	22%	0.219	S	C	.	.	S	Bend	trans	-83.4	154.4	-179.9	-64.9	176	-176.2	177	0	112	T77 A78 W82 R86	T77-K80 WeakPolarHBondContact O-CB 3.48Å; T77-K80 PolarHBondContact O-N 3.12Å; T77-K80 VanDerWaalsContact O-N 3.16Å; A78-K80 PolarHBondContact O-N 3.35Å; K80-W82 VanDerWaalsContact C-N 3.27Å; K80-W82 PolarHBondContact O-N 3.41Å; K80-R86 PolarHBondContact O-NH1 3.37Å
81	A	88.9	Confident	96.1	Very high	100 Å²	100	41.4 Å²	41.4	83%	0.826	23%	0.23	S	C	*	.	S	Bend	trans	-65.9	-22.3	-173.9	0	0	0	0	0	114.9	W83 R86	A81-W83 PolarHBondContact O-N 3.21Å; A81-R86 PolarHBondContact O-NH1 3.03Å
82	W	94.6	Very high	96.1	Very high	83 Å²	83	41.4 Å²	41.4	31%	0.314	23%	0.231	S	C	.	.			trans	-82	108.5	-171.1	-175.8	59.7	0	0	0	112.8	Y35 N38 K80 K84 A85	Y35-W82 VanDerWaalsContact CA-CZ3 3.47Å; Y35-W82 HydrophobicContact CD2-CD2 4.45Å; Y35-W82 AromaticContact CD2-CE3 3.82Å; Y35-W82 HydrophobicContact CD2-CE3 3.82Å; Y35-W82 AromaticContact CD2-CH2 3.9Å; Y35-W82 HydrophobicContact CD2-CH2 3.9Å; Y35-W82 HydrophobicContact CD2-CZ2 4.47Å; Y35-W82 AromaticContact CD2-CZ3 3.6Å; Y35-W82 HydrophobicContact CD2-CZ3 3.6Å; Y35-W82 HydrophobicContact CE2-CE3 4.3Å; Y35-W82 HydrophobicContact CE2-CH2 4.35Å; Y35-W82 HydrophobicContact CE2-CZ2 4.48Å; Y35-W82 HydrophobicContact CE2-CZ3 4.32Å; Y35-W82 HydrophobicContact CG-CH2 4.27Å; Y35-W82 HydrophobicContact CG-CZ3 4.14Å; Y35-W82 WeakPolarHBondContact O-CH2 3.43Å; N38-W82 HydrophobicContact CB-CH2 3.6Å; N38-W82 HydrophobicContact CB-CZ2 3.73Å; K80-W82 VanDerWaalsContact C-N 3.27Å; K80-W82 PolarHBondContact O-N 3.41Å; W82-K84 VanDerWaalsContact C-N 3.33Å; W82-K84 HydrophobicContact CD2-CB 4.26Å; W82-K84 HydrophobicContact CH2-CB 4Å; W82-K84 HydrophobicContact CZ2-CB 3.63Å; W82-K84 HydrophobicContact CZ2-CD 4.09Å; W82-K84 HydrophobicContact CZ2-CG 4.32Å; W82-K84 HydrophobicContact CZ3-CB 4.45Å; W82-K84 PolarHBondContact O-N 3.02Å; W82-A85 HydrophobicContact CD2-CB 4.27Å; W82-A85 HydrophobicContact CE3-CB 3.18Å; W82-A85 VanDerWaalsContact CE3-N 3.34Å; W82-A85 HydrophobicContact CZ3-CB 3.36Å; W82-A85 VanDerWaalsContact CZ3-N 3.32Å; W82-A85 PolarHBondContact O-N 3.36Å
83	W	96.1	Very high	96.1	Very high	83 Å²	83	38.8 Å²	38.8	31%	0.314	22%	0.217	S	C	.	.	H	α-helix	trans	-64.6	-31.1	-169.6	68.2	-96.8	0	0	0	114.5	A81 A85 R86 V87 Q125 E127 V128	A81-W83 PolarHBondContact O-N 3.21Å; W83-A85 PolarHBondContact O-N 3.01Å; W83-R86 WeakPolarHBondContact O-CB 3.39Å; W83-R86 PolarHBondContact O-N 3.28Å; W83-R86 VanDerWaalsContact O-N 3.11Å; W83-V87 HydrophobicContact CE3-CG2 4.04Å; W83-V87 HydrophobicContact CZ3-CG2 4.28Å; W83-V87 PolarHBondContact O-N 2.85Å; W83-Q125 HydrophobicContact CB-CB 4.01Å; W83-Q125 HydrophobicContact CB-CG 3.88Å; W83-Q125 HydrophobicContact CD2-CG 3.91Å; W83-Q125 HydrophobicContact CE3-CG 4.06Å; W83-Q125 HydrophobicContact CG-CB 4.47Å; W83-Q125 HydrophobicContact CG-CG 3.86Å; W83-E127 HydrophobicContact CE3-CB 4.21Å; W83-E127 HydrophobicContact CH2-CG 4.49Å; W83-E127 HydrophobicContact CZ3-CB 3.83Å; W83-E127 HydrophobicContact CZ3-CG 4.12Å; W83-V128 HydrophobicContact CB-CG2 3.85Å
84	K	96.3	Very high	96	Very high	65 Å²	65	37.7 Å²	37.7	28%	0.283	21%	0.211	S	C	.	.	H	α-helix	trans	-66.5	-38.1	-179.6	-62.3	-170.8	-177.9	175.9	0	112.1	N38 W82 R86 V87 S88	N38-K84 HydrophobicContact CB-CB 3.89Å; N38-K84 HydrophobicContact CB-CD 3.86Å; N38-K84 VanDerWaalsContact CG-CB 3.5Å; N38-K84 PolarHBondContact ND2-O 3.47Å; W82-K84 VanDerWaalsContact C-N 3.33Å; W82-K84 HydrophobicContact CD2-CB 4.26Å; W82-K84 HydrophobicContact CH2-CB 4Å; W82-K84 HydrophobicContact CZ2-CB 3.63Å; W82-K84 HydrophobicContact CZ2-CD 4.09Å; W82-K84 HydrophobicContact CZ2-CG 4.32Å; W82-K84 HydrophobicContact CZ3-CB 4.45Å; W82-K84 PolarHBondContact O-N 3.02Å; K84-R86 VanDerWaalsContact C-N 3.31Å; K84-R86 PolarHBondContact O-N 3.04Å; K84-V87 PolarHBondContact O-N 3.32Å; K84-S88 PolarHBondContact O-N 3.21Å; K84-S88 PolarHBondContact O-OG 3Å
85	A	95.8	Very high	95.9	Very high	5 Å²	5	39.9 Å²	39.9	4%	0.041	23%	0.225	C	C	.	.	H	α-helix	trans	-58.7	-43.9	169.8	0	0	0	0	0	111.4	F34 T77 W82 W83 V87 S88 V89	F34-A85 HydrophobicContact CB-CB 4.36Å; T77-A85 HydrophobicContact CG2-CB 3.73Å; W82-A85 HydrophobicContact CD2-CB 4.27Å; W82-A85 HydrophobicContact CE3-CB 3.18Å; W82-A85 VanDerWaalsContact CE3-N 3.34Å; W82-A85 HydrophobicContact CZ3-CB 3.36Å; W82-A85 VanDerWaalsContact CZ3-N 3.32Å; W82-A85 PolarHBondContact O-N 3.36Å; W83-A85 PolarHBondContact O-N 3.01Å; A85-V87 VanDerWaalsContact C-N 3.3Å; A85-V87 PolarHBondContact O-N 2.69Å; A85-S88 CarbonylContact O-C 3.57Å; A85-S88 WeakPolarHBondContact O-CA 3.33Å; A85-S88 WeakPolarHBondContact O-CB 3.34Å; A85-S88 PolarHBondContact O-N 3.47Å; A85-V89 WeakPolarHBondContact O-CG2 3.08Å; A85-V89 PolarHBondContact O-N 3.44Å
86	R	97.4	Very high	95.8	Very high	23 Å²	23	36.9 Å²	36.9	9%	0.087	21%	0.211	C	C	.	.	H	α-helix	trans	-62.7	-38.7	-178.8	-53.9	-160.9	-66.1	-85.9	2.5	111.7	A78 K80 A81 W83 K84 V89 L90 L120 D123 V128	A78-R86 WeakPolarHBondContact O-CD 3.45Å; K80-R86 PolarHBondContact O-NH1 3.37Å; A81-R86 PolarHBondContact O-NH1 3.03Å; W83-R86 WeakPolarHBondContact O-CB 3.39Å; W83-R86 PolarHBondContact O-N 3.28Å; W83-R86 VanDerWaalsContact O-N 3.11Å; K84-R86 VanDerWaalsContact C-N 3.31Å; K84-R86 PolarHBondContact O-N 3.04Å; R86-V89 PolarHBondContact O-N 3.14Å; R86-L90 WeakPolarHBondContact O-CG 3.44Å; R86-L90 PolarHBondContact O-N 3.1Å; R86-L90 VanDerWaalsContact O-N 3.09Å; R86-L120 HydrophobicContact CB-CD2 4.35Å; R86-D123 IonicContact CZ-OD1 3.04Å; R86-D123 IonicContact CZ-OD2 2.93Å; R86-D123 IonicContact NE-OD1 3.68Å; R86-D123 IonicContact NE-OD2 3.5Å; R86-D123 PolarHBondContact NE-OD2 3.22Å; R86-D123 VanDerWaalsContact NH2-CG 3.34Å; R86-D123 IonicContact NH2-OD1 3.04Å; R86-D123 PolarHBondContact NH2-OD1 2.87Å; R86-D123 IonicContact NH2-OD2 3.5Å; R86-D123 PolarHBondContact NH2-OD2 3.04Å; R86-V128 HydrophobicContact CB-CG1 4.04Å; R86-V128 HydrophobicContact CB-CG2 4.14Å
87	V	97.5	Very high	95.7	Very high	17 Å²	17	33.2 Å²	33.2	10%	0.103	19%	0.188	C	C	.	.	H	α-helix	trans	-60.8	-46.8	170.1	174.5	0	0	0	0	111.2	W83 K84 A85 V89 L90 Q91 E127 V128 A131	W83-V87 HydrophobicContact CE3-CG2 4.04Å; W83-V87 HydrophobicContact CZ3-CG2 4.28Å; W83-V87 PolarHBondContact O-N 2.85Å; K84-V87 PolarHBondContact O-N 3.32Å; A85-V87 VanDerWaalsContact C-N 3.3Å; A85-V87 PolarHBondContact O-N 2.69Å; V87-V89 VanDerWaalsContact C-N 3.33Å; V87-V89 PolarHBondContact O-N 2.83Å; V87-L90 PolarHBondContact O-N 3.18Å; V87-Q91 HydrophobicContact CG1-CG 4.41Å; V87-Q91 WeakPolarHBondContact O-CG 3.45Å; V87-Q91 PolarHBondContact O-N 3.29Å; V87-E127 HydrophobicContact CG2-CB 4.39Å; V87-V128 HydrophobicContact CG2-CB 4.48Å; V87-V128 HydrophobicContact CG2-CG2 3.88Å; V87-A131 HydrophobicContact CB-CB 4.45Å; V87-A131 HydrophobicContact CG1-CB 4.02Å; V87-A131 HydrophobicContact CG2-CB 4.29Å
88	S	97	Very high	95.5	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.007	21%	0.214	C	C	.	.	H	α-helix	trans	-63	-36.7	177.6	-68.6	0	0	0	0	112.7	D37 N38 K84 A85 Q91 F92	D37-S88 PolarHBondContact OD2-OG 3.26Å; N38-S88 PolarHBondContact ND2-OG 2.84Å; K84-S88 PolarHBondContact O-N 3.21Å; K84-S88 PolarHBondContact O-OG 3Å; A85-S88 CarbonylContact O-C 3.57Å; A85-S88 WeakPolarHBondContact O-CA 3.33Å; A85-S88 WeakPolarHBondContact O-CB 3.34Å; A85-S88 PolarHBondContact O-N 3.47Å; S88-Q91 PolarHBondContact O-N 3.48Å; S88-F92 VanDerWaalsContact O-CB 3.27Å; S88-F92 WeakPolarHBondContact O-CB 3.49Å; S88-F92 PolarHBondContact O-N 3.31Å
89	V	97.6	Very high	95.4	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59.9	-50.5	173.3	168.3	0	0	0	0	110.5	F34 C74 T77 A85 R86 V87 Q91 F92 L93	F34-V89 HydrophobicContact CD1-CG2 4.18Å; F34-V89 HydrophobicContact CD2-CG2 3.68Å; F34-V89 HydrophobicContact CE1-CG2 4.25Å; F34-V89 HydrophobicContact CE2-CG2 3.77Å; F34-V89 HydrophobicContact CG-CG2 3.91Å; F34-V89 HydrophobicContact CZ-CG2 4.07Å; C74-V89 HydrophobicContact CB-CG1 3.79Å; T77-V89 HydrophobicContact CG2-CG2 3.73Å; A85-V89 WeakPolarHBondContact O-CG2 3.08Å; A85-V89 PolarHBondContact O-N 3.44Å; R86-V89 PolarHBondContact O-N 3.14Å; V87-V89 VanDerWaalsContact C-N 3.33Å; V87-V89 PolarHBondContact O-N 2.83Å; V89-Q91 VanDerWaalsContact C-N 3.34Å; V89-Q91 PolarHBondContact O-N 3.38Å; V89-F92 WeakPolarHBondContact O-CB 3.29Å; V89-F92 PolarHBondContact O-N 3.02Å; V89-L93 HydrophobicContact CG1-CD1 3.88Å; V89-L93 HydrophobicContact CG1-CG 4.35Å; V89-L93 WeakPolarHBondContact O-CB 3.47Å; V89-L93 WeakPolarHBondContact O-CG 3.47Å; V89-L93 PolarHBondContact O-N 3.37Å
90	L	97.6	Very high	95.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.7	-41.1	179.7	-73.6	161.9	0	0	0	112.6	R86 V87 F92 L93 Q94 V117 L120 V128 A131 A132 A135	R86-L90 WeakPolarHBondContact O-CG 3.44Å; R86-L90 PolarHBondContact O-N 3.1Å; R86-L90 VanDerWaalsContact O-N 3.09Å; V87-L90 PolarHBondContact O-N 3.18Å; L90-F92 VanDerWaalsContact C-N 3.34Å; L90-L93 PolarHBondContact O-N 3.03Å; L90-Q94 WeakPolarHBondContact O-CG 3.14Å; L90-Q94 PolarHBondContact O-N 2.85Å; L90-Q94 VanDerWaalsContact O-N 3.08Å; L90-Q94 PolarHBondContact O-NE2 3.05Å; L90-V117 HydrophobicContact CD2-CG2 3.99Å; L90-L120 HydrophobicContact CD1-CB 4.16Å; L90-L120 HydrophobicContact CD1-CD1 3.9Å; L90-L120 HydrophobicContact CD2-CB 4.35Å; L90-L120 HydrophobicContact CD2-CD1 3.62Å; L90-L120 HydrophobicContact CG-CD1 3.69Å; L90-V128 HydrophobicContact CD1-CG1 3.97Å; L90-A131 HydrophobicContact CB-CB 4.24Å; L90-A131 HydrophobicContact CD1-CB 3.83Å; L90-A132 HydrophobicContact CD1-CB 3.83Å; L90-A132 HydrophobicContact CD2-CB 4.05Å; L90-A135 HydrophobicContact CD2-CB 4.23Å
91	Q	96.9	Very high	95.2	Very high	52 Å²	52	34.4 Å²	34.4	24%	0.243	18%	0.179	C	C	.	.	H	α-helix	trans	-71.3	-31.2	178.6	-70.3	172.3	-14.7	0	0	112.5	R54 V87 S88 V89	R54-Q91 VanDerWaalsContact NH1-CD 3.32Å; V87-Q91 HydrophobicContact CG1-CG 4.41Å; V87-Q91 WeakPolarHBondContact O-CG 3.45Å; V87-Q91 PolarHBondContact O-N 3.29Å; S88-Q91 PolarHBondContact O-N 3.48Å; V89-Q91 VanDerWaalsContact C-N 3.34Å; V89-Q91 PolarHBondContact O-N 3.38Å
92	F	96.6	Very high	95.4	Very high	1 Å²	1	38.2 Å²	38.2	0%	0.004	18%	0.177	C	C	.	.	H	α-helix	trans	-69.4	-48	171	166.8	-96.9	0	0	0	111.4	L30 F34 L53 F57 P58 V70 S88 V89 L90 Q94 V95 C96	L30-F92 HydrophobicContact CD1-CE1 4.35Å; L30-F92 HydrophobicContact CD1-CZ 4.17Å; L30-F92 HydrophobicContact CD2-CE2 3.99Å; L30-F92 HydrophobicContact CD2-CZ 3.99Å; F34-F92 HydrophobicContact CE1-CB 3.6Å; F34-F92 AromaticContact CE1-CD1 3.99Å; F34-F92 HydrophobicContact CE1-CD1 3.99Å; F34-F92 HydrophobicContact CE1-CD2 4.37Å; F34-F92 AromaticContact CE1-CG 3.72Å; F34-F92 HydrophobicContact CE1-CG 3.72Å; F34-F92 HydrophobicContact CZ-CB 4.24Å; F34-F92 AromaticContact CZ-CD1 3.74Å; F34-F92 HydrophobicContact CZ-CD1 3.74Å; F34-F92 HydrophobicContact CZ-CE1 4.3Å; F34-F92 AromaticContact CZ-CG 3.96Å; F34-F92 HydrophobicContact CZ-CG 3.96Å; L53-F92 HydrophobicContact CB-CD2 4.22Å; L53-F92 HydrophobicContact CD2-CD2 3.76Å; L53-F92 HydrophobicContact CD2-CE2 4.31Å; L53-F92 HydrophobicContact CD2-CG 4.3Å; L53-F92 VanDerWaalsContact O-CD2 3.25Å; L53-F92 WeakPolarHBondContact O-CD2 3.3Å; F57-F92 HydrophobicContact CB-CE2 4.28Å; F57-F92 AromaticContact CD1-CE2 3.55Å; F57-F92 HydrophobicContact CD1-CE2 3.55Å; F57-F92 AromaticContact CD1-CZ 3.59Å; F57-F92 HydrophobicContact CD1-CZ 3.59Å; F57-F92 HydrophobicContact CE1-CE2 4.17Å; F57-F92 AromaticContact CE1-CZ 3.72Å; F57-F92 HydrophobicContact CE1-CZ 3.72Å; F57-F92 HydrophobicContact CG-CE2 4.09Å; F57-F92 HydrophobicContact CG-CZ 4.46Å; P58-F92 HydrophobicContact CG-CE2 4.39Å; V70-F92 HydrophobicContact CG1-CE1 3.59Å; V70-F92 HydrophobicContact CG1-CZ 3.9Å; S88-F92 VanDerWaalsContact O-CB 3.27Å; S88-F92 WeakPolarHBondContact O-CB 3.49Å; S88-F92 PolarHBondContact O-N 3.31Å; V89-F92 WeakPolarHBondContact O-CB 3.29Å; V89-F92 PolarHBondContact O-N 3.02Å; L90-F92 VanDerWaalsContact C-N 3.34Å; F92-Q94 VanDerWaalsContact C-N 3.3Å; F92-Q94 PolarHBondContact O-N 3.46Å; F92-V95 PolarHBondContact O-N 2.97Å; F92-C96 HydrophobicContact CD1-CB 4.41Å; F92-C96 HydrophobicContact CE1-CB 4.01Å; F92-C96 HydrophobicContact CE2-CB 4.21Å; F92-C96 HydrophobicContact CZ-CB 3.91Å; F92-C96 WeakPolarHBondContact O-CB 3.41Å; F92-C96 PolarHBondContact O-N 3.31Å
93	L	96.4	Very high	95.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-58.6	-40.7	179.7	-75.4	172.9	0	0	0	112	L71 C74 V89 L90 V95 C96 I97 L116 F139	L71-L93 HydrophobicContact CD2-CD2 3.97Å; C74-L93 HydrophobicContact CB-CD1 4.44Å; C74-L93 HydrophobicContact CB-CD2 4.35Å; V89-L93 HydrophobicContact CG1-CD1 3.88Å; V89-L93 HydrophobicContact CG1-CG 4.35Å; V89-L93 WeakPolarHBondContact O-CB 3.47Å; V89-L93 WeakPolarHBondContact O-CG 3.47Å; V89-L93 PolarHBondContact O-N 3.37Å; L90-L93 PolarHBondContact O-N 3.03Å; L93-V95 PolarHBondContact O-N 3.42Å; L93-C96 PolarHBondContact O-N 3.02Å; L93-I97 HydrophobicContact CB-CD1 4.35Å; L93-I97 HydrophobicContact CD2-CD1 4.25Å; L93-I97 VanDerWaalsContact O-CB 3.32Å; L93-I97 WeakPolarHBondContact O-CB 3.21Å; L93-I97 WeakPolarHBondContact O-CG1 3.26Å; L93-I97 PolarHBondContact O-N 2.96Å; L93-L116 HydrophobicContact CD1-CD2 3.67Å; L93-F139 HydrophobicContact CB-CZ 4.33Å
94	Q	95.5	Very high	95.1	Very high	21 Å²	21	31.6 Å²	31.6	10%	0.098	16%	0.156	C	C	.	.	H	α-helix	trans	-48.6	-55.9	172.9	-86.4	170.9	53.6	0	0	112.4	L90 F92 F98 A131 A135	L90-Q94 WeakPolarHBondContact O-CG 3.14Å; L90-Q94 PolarHBondContact O-N 2.85Å; L90-Q94 VanDerWaalsContact O-N 3.08Å; L90-Q94 PolarHBondContact O-NE2 3.05Å; F92-Q94 VanDerWaalsContact C-N 3.3Å; F92-Q94 PolarHBondContact O-N 3.46Å; Q94-F98 VanDerWaalsContact O-CB 3.25Å; Q94-F98 WeakPolarHBondContact O-CB 3.29Å; Q94-F98 PolarHBondContact O-N 2.88Å; Q94-A131 PolarHBondContact NE2-O 3.24Å; Q94-A135 HydrophobicContact CG-CB 3.59Å; Q94-A135 VanDerWaalsContact NE2-CA 3.33Å; Q94-A135 VanDerWaalsContact NE2-N 3.17Å
95	V	94.9	Very high	94.9	Very high	46 Å²	46	31.6 Å²	31.6	28%	0.279	16%	0.164	S	C	.	.	H	α-helix	trans	-74.8	-42.3	-175.7	-171.1	0	0	0	0	110.3	P58 F92 L93 I97 F98 S99	P58-V95 HydrophobicContact CB-CB 4.2Å; P58-V95 HydrophobicContact CB-CG1 3.61Å; P58-V95 HydrophobicContact CG-CB 4.03Å; P58-V95 HydrophobicContact CG-CG1 3.77Å; F92-V95 PolarHBondContact O-N 2.97Å; L93-V95 PolarHBondContact O-N 3.42Å; V95-I97 PolarHBondContact O-N 3.35Å; V95-F98 PolarHBondContact O-N 3.24Å; V95-S99 VanDerWaalsContact O-CB 3.31Å; V95-S99 WeakPolarHBondContact O-CB 3.37Å; V95-S99 PolarHBondContact O-N 3.43Å; V95-S99 PolarHBondContact O-OG 3.44Å; V95-S99 VanDerWaalsContact O-OG 3.09Å
96	C	94.8	Very high	94.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.7	-46.7	-177.1	-175.3	0	0	0	0	112.5	P58 F92 L93 N100	P58-C96 HydrophobicContact CG-CB 4.47Å; F92-C96 HydrophobicContact CD1-CB 4.41Å; F92-C96 HydrophobicContact CE1-CB 4.01Å; F92-C96 HydrophobicContact CE2-CB 4.21Å; F92-C96 HydrophobicContact CZ-CB 3.91Å; F92-C96 WeakPolarHBondContact O-CB 3.41Å; F92-C96 PolarHBondContact O-N 3.31Å; L93-C96 PolarHBondContact O-N 3.02Å; C96-N100 WeakPolarHBondContact O-CB 3.49Å; C96-N100 PolarHBondContact O-N 3.07Å; C96-N100 PolarHBondContact O-ND2 3.26Å
97	I	94.7	Very high	94.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-71.1	-44.1	179.8	-67.9	169.5	0	0	0	110.4	L93 V95 S99 N100 I101 F104 V113 F139 F144	L93-I97 HydrophobicContact CB-CD1 4.35Å; L93-I97 HydrophobicContact CD2-CD1 4.25Å; L93-I97 VanDerWaalsContact O-CB 3.32Å; L93-I97 WeakPolarHBondContact O-CB 3.21Å; L93-I97 WeakPolarHBondContact O-CG1 3.26Å; L93-I97 PolarHBondContact O-N 2.96Å; V95-I97 PolarHBondContact O-N 3.35Å; I97-S99 VanDerWaalsContact C-N 3.32Å; I97-S99 PolarHBondContact O-N 3Å; I97-N100 CarbonylContact O-C 3.54Å; I97-N100 PolarHBondContact O-N 3.31Å; I97-I101 WeakPolarHBondContact O-CA 3.29Å; I97-I101 WeakPolarHBondContact O-CB 3.23Å; I97-I101 PolarHBondContact O-N 3.04Å; I97-F104 HydrophobicContact CB-CD2 4.48Å; I97-F104 HydrophobicContact CG1-CD2 4.05Å; I97-F104 HydrophobicContact CG1-CE2 4.17Å; I97-F104 HydrophobicContact CG1-CG 4.36Å; I97-V113 HydrophobicContact CD1-CB 4.21Å; I97-V113 HydrophobicContact CD1-CG1 3.49Å; I97-V113 VanDerWaalsContact CD1-CG1 3.49Å; I97-V113 HydrophobicContact CD1-CG2 3.66Å; I97-F139 HydrophobicContact CB-CE1 3.92Å; I97-F139 HydrophobicContact CD1-CE1 3.71Å; I97-F139 HydrophobicContact CD1-CE2 4.33Å; I97-F139 HydrophobicContact CD1-CZ 3.54Å; I97-F139 HydrophobicContact CG1-CE1 4.39Å; I97-F139 HydrophobicContact CG2-CD1 4.25Å; I97-F139 HydrophobicContact CG2-CE1 4.06Å; I97-F144 HydrophobicContact CD1-CE1 4.28Å; I97-F144 HydrophobicContact CD1-CZ 4.39Å; I97-F144 HydrophobicContact CG2-CB 4.47Å; I97-F144 HydrophobicContact CG2-CD1 4.04Å; I97-F144 HydrophobicContact CG2-CD2 3.66Å; I97-F144 HydrophobicContact CG2-CE1 4.2Å; I97-F144 HydrophobicContact CG2-CE2 3.8Å; I97-F144 HydrophobicContact CG2-CG 3.78Å; I97-F144 HydrophobicContact CG2-CZ 4.07Å
98	F	93.7	Very high	94.4	Very high	128 Å²	128	44.2 Å²	44.2	56%	0.561	23%	0.23	S	C	*	.	H	α-helix	trans	-57.4	-46.1	176.5	-179.1	-95.8	0	0	0	111.7	Q94 V95 N100 T138 C142	Q94-F98 VanDerWaalsContact O-CB 3.25Å; Q94-F98 WeakPolarHBondContact O-CB 3.29Å; Q94-F98 PolarHBondContact O-N 2.88Å; V95-F98 PolarHBondContact O-N 3.24Å; F98-N100 VanDerWaalsContact C-N 3.34Å; F98-N100 PolarHBondContact O-N 2.64Å; F98-T138 HydrophobicContact CB-CG2 4.5Å; F98-C142 HydrophobicContact CD2-CB 3.91Å; F98-C142 HydrophobicContact CE2-CB 4.24Å
99	S	92.5	Very high	94.3	Very high	48 Å²	48	45.4 Å²	45.4	34%	0.336	24%	0.235	S	C	.	.	H	α-helix	trans	-71.8	-23.7	179.8	-64.2	0	0	0	0	114.2	P58 V95 I97	P58-S99 WeakPolarHBondContact O-CB 3.32Å; V95-S99 VanDerWaalsContact O-CB 3.31Å; V95-S99 WeakPolarHBondContact O-CB 3.37Å; V95-S99 PolarHBondContact O-N 3.43Å; V95-S99 PolarHBondContact O-OG 3.44Å; V95-S99 VanDerWaalsContact O-OG 3.09Å; I97-S99 VanDerWaalsContact C-N 3.32Å; I97-S99 PolarHBondContact O-N 3Å
100	N	92.7	Very high	94.2	Very high	13 Å²	13	49.1 Å²	49.1	7%	0.07	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.7	31.7	-176.1	-63.3	-88.2	0	0	0	112.6	P58 C60 L62 C96 I97 F98 F102 C103 F104	P58-N100 PolarHBondContact O-ND2 3.22Å; C60-N100 PolarHBondContact O-OD1 2.94Å; C60-N100 VanDerWaalsContact O-OD1 3.11Å; L62-N100 HydrophobicContact CD1-CB 4.27Å; C96-N100 WeakPolarHBondContact O-CB 3.49Å; C96-N100 PolarHBondContact O-N 3.07Å; C96-N100 PolarHBondContact O-ND2 3.26Å; I97-N100 CarbonylContact O-C 3.54Å; I97-N100 PolarHBondContact O-N 3.31Å; F98-N100 VanDerWaalsContact C-N 3.34Å; F98-N100 PolarHBondContact O-N 2.64Å; N100-F102 PolarHBondContact O-N 3.28Å; N100-C103 HydrophobicContact CB-CB 4.28Å; N100-C103 WeakPolarHBondContact O-CB 3.45Å; N100-C103 PolarHBondContact O-N 2.86Å; N100-F104 HydrophobicContact CB-CD2 4.11Å; N100-F104 HydrophobicContact CB-CE2 3.93Å; N100-F104 WeakPolarHBondContact O-CD2 3.34Å; N100-F104 PolarHBondContact O-N 3.3Å
101	I	92.9	Very high	94	Very high	36 Å²	36	55 Å²	55	19%	0.185	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-37.3	-167.8	-168	170.2	0	0	0	113.4	I97 C103 F104 S105 C142 F144	I97-I101 WeakPolarHBondContact O-CA 3.29Å; I97-I101 WeakPolarHBondContact O-CB 3.23Å; I97-I101 PolarHBondContact O-N 3.04Å; I101-C103 VanDerWaalsContact C-N 3.34Å; I101-C103 PolarHBondContact O-N 2.68Å; I101-F104 CarbonylContact O-C 3.58Å; I101-F104 PolarHBondContact O-N 3.4Å; I101-S105 PolarHBondContact O-N 3.09Å; I101-C142 HydrophobicContact CD1-CB 3.96Å; I101-C142 WeakPolarHBondContact CD1-O 3.41Å; I101-F144 HydrophobicContact CD1-CB 4.42Å; I101-F144 HydrophobicContact CG1-CD2 4.24Å
102	F	92.1	Very high	94	Very high	180 Å²	180	54.4 Å²	54.4	79%	0.789	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-33.1	178.6	-59.5	-69.6	0	0	0	113	N100 F104 S105	N100-F102 PolarHBondContact O-N 3.28Å; F102-F104 VanDerWaalsContact C-N 3.33Å; F102-S105 VanDerWaalsContact O-CB 3.24Å; F102-S105 WeakPolarHBondContact O-CB 3.19Å; F102-S105 PolarHBondContact O-N 2.91Å; F102-S105 PolarHBondContact O-OG 2.91Å
103	C	92	Very high	93.9	Very high	28 Å²	28	54.3 Å²	54.3	19%	0.189	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-34	176.5	-171.9	0	0	0	0	111.5	L62 N100 I101 S105	L62-C103 PolarHBondContact O-SG 3.32Å; N100-C103 HydrophobicContact CB-CB 4.28Å; N100-C103 WeakPolarHBondContact O-CB 3.45Å; N100-C103 PolarHBondContact O-N 2.86Å; I101-C103 VanDerWaalsContact C-N 3.34Å; I101-C103 PolarHBondContact O-N 2.68Å; C103-S105 VanDerWaalsContact C-N 3.28Å; C103-S105 PolarHBondContact O-N 3.4Å
104	F	93.2	Very high	93.8	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	13.2	176.4	-62.8	-77.3	0	0	0	113.1	L62 A67 L71 I97 N100 I101 F102 D106 Y109 F144	L62-F104 HydrophobicContact CD1-CE2 3.76Å; L62-F104 HydrophobicContact CD1-CZ 3.69Å; A67-F104 HydrophobicContact CB-CD1 4.33Å; A67-F104 HydrophobicContact CB-CE1 3.77Å; A67-F104 HydrophobicContact CB-CZ 4.12Å; L71-F104 HydrophobicContact CD1-CD1 4.38Å; L71-F104 HydrophobicContact CD1-CE1 4.19Å; L71-F104 HydrophobicContact CD2-CE1 4.23Å; L71-F104 HydrophobicContact CG-CE1 4.08Å; I97-F104 HydrophobicContact CB-CD2 4.48Å; I97-F104 HydrophobicContact CG1-CD2 4.05Å; I97-F104 HydrophobicContact CG1-CE2 4.17Å; I97-F104 HydrophobicContact CG1-CG 4.36Å; N100-F104 HydrophobicContact CB-CD2 4.11Å; N100-F104 HydrophobicContact CB-CE2 3.93Å; N100-F104 WeakPolarHBondContact O-CD2 3.34Å; N100-F104 PolarHBondContact O-N 3.3Å; I101-F104 CarbonylContact O-C 3.58Å; I101-F104 PolarHBondContact O-N 3.4Å; F102-F104 VanDerWaalsContact C-N 3.33Å; F104-D106 VanDerWaalsContact C-N 3.27Å; F104-D106 PolarHBondContact O-N 3.17Å; F104-Y109 HydrophobicContact CD1-CG 4.27Å; F104-F144 HydrophobicContact CB-CE2 3.59Å; F104-F144 HydrophobicContact CB-CZ 4.12Å; F104-F144 WeakPolarHBondContact O-CE2 3.33Å
105	S	90.6	Very high	93.8	Very high	64 Å²	64	59.6 Å²	59.6	45%	0.448	30%	0.297	S	S	.	.			trans	-67.1	-27	-175.7	60.6	0	0	0	0	113.6	I101 F102 C103 R110	I101-S105 PolarHBondContact O-N 3.09Å; F102-S105 VanDerWaalsContact O-CB 3.24Å; F102-S105 WeakPolarHBondContact O-CB 3.19Å; F102-S105 PolarHBondContact O-N 2.91Å; F102-S105 PolarHBondContact O-OG 2.91Å; C103-S105 VanDerWaalsContact C-N 3.28Å; C103-S105 PolarHBondContact O-N 3.4Å; S105-R110 PolarHBondContact O-NE 3.3Å
106	D	92.8	Very high	93.8	Very high	83 Å²	83	58.3 Å²	58.3	44%	0.444	29%	0.289	S	S	.	.	S	Bend	trans	-58	136.5	176.8	-169.5	-65.2	0	0	0	111.9	F104 V108 Y109 R110	F104-D106 VanDerWaalsContact C-N 3.27Å; F104-D106 PolarHBondContact O-N 3.17Å; D106-V108 PolarHBondContact O-N 2.99Å; D106-V108 VanDerWaalsContact OD1-CB 3.26Å; D106-V108 WeakPolarHBondContact OD1-CB 3.49Å; D106-V108 WeakPolarHBondContact OD1-CG2 3.49Å; D106-V108 PolarHBondContact OD1-N 3.17Å; D106-Y109 HydrophobicContact CB-CD2 3.72Å; D106-Y109 HydrophobicContact CB-CE2 4.11Å; D106-Y109 PolarHBondContact O-N 3.41Å; D106-R110 PolarHBondContact O-N 3.22Å; D106-R110 VanDerWaalsContact O-N 3.08Å
107	Q	93.1	Very high	93.9	Very high	136 Å²	136	58.3 Å²	58.3	64%	0.636	29%	0.289	S	S	*	.	H	α-helix	trans	-58.8	-30.5	-177.5	-171.3	60.9	18.1	0	0	113.1	R110 K111	Q107-R110 PolarHBondContact O-N 2.94Å; Q107-K111 VanDerWaalsContact O-CB 3.31Å; Q107-K111 WeakPolarHBondContact O-CB 3.22Å; Q107-K111 PolarHBondContact O-N 3.41Å
108	V	95	Very high	93.8	Very high	91 Å²	91	59.4 Å²	59.4	55%	0.552	29%	0.294	S	S	*	.	H	α-helix	trans	-61.8	-46.4	175.6	177.6	0	0	0	0	110.3	D106 R112	D106-V108 PolarHBondContact O-N 2.99Å; D106-V108 VanDerWaalsContact OD1-CB 3.26Å; D106-V108 WeakPolarHBondContact OD1-CB 3.49Å; D106-V108 WeakPolarHBondContact OD1-CG2 3.49Å; D106-V108 PolarHBondContact OD1-N 3.17Å; V108-R112 WeakPolarHBondContact O-CG 3.47Å; V108-R112 PolarHBondContact O-N 2.92Å; V108-R112 VanDerWaalsContact O-N 3.11Å
109	Y	95	Very high	93.9	Very high	26 Å²	26	56.9 Å²	56.9	10%	0.102	29%	0.291	C	S	.	.	H	α-helix	trans	-69.3	-43.1	178.7	-61.3	-47.5	0	0	0	111.9	E64 L71 F104 D106 K111 R112 V113	E64-Y109 PolarHBondContact O-OH 2.8Å; L71-Y109 HydrophobicContact CD1-CD1 3.66Å; L71-Y109 HydrophobicContact CD1-CG 4.33Å; F104-Y109 HydrophobicContact CD1-CG 4.27Å; D106-Y109 HydrophobicContact CB-CD2 3.72Å; D106-Y109 HydrophobicContact CB-CE2 4.11Å; D106-Y109 PolarHBondContact O-N 3.41Å; Y109-K111 VanDerWaalsContact C-N 3.3Å; Y109-K111 PolarHBondContact O-N 3.44Å; Y109-R112 PolarHBondContact O-N 3.24Å; Y109-V113 WeakPolarHBondContact O-CG2 3.44Å; Y109-V113 PolarHBondContact O-N 2.93Å
110	R	94.6	Very high	94.1	Very high	79 Å²	79	54.8 Å²	54.8	30%	0.298	28%	0.277	S	S	.	.	H	α-helix	trans	-55.4	-46.1	175	-67.9	-175.8	179.2	-145.9	-7.4	111.8	S105 D106 Q107 S114 F144	S105-R110 PolarHBondContact O-NE 3.3Å; D106-R110 PolarHBondContact O-N 3.22Å; D106-R110 VanDerWaalsContact O-N 3.08Å; Q107-R110 PolarHBondContact O-N 2.94Å; R110-S114 VanDerWaalsContact O-CB 3.28Å; R110-S114 WeakPolarHBondContact O-CB 3.34Å; R110-S114 PolarHBondContact O-N 3.36Å; R110-F144 HydrophobicContact CB-CZ 4.3Å; R110-F144 HydrophobicContact CG-CD2 4.4Å; R110-F144 HydrophobicContact CG-CE1 4.5Å; R110-F144 HydrophobicContact CG-CE2 3.81Å; R110-F144 HydrophobicContact CG-CZ 3.86Å
111	K	94.1	Very high	94.2	Very high	122 Å²	122	54.2 Å²	54.2	53%	0.53	27%	0.273	S	S	.	.	H	α-helix	trans	-62	-48.2	178	-177.1	174.9	174.2	178.6	0	112	Q107 Y109 V113 S114 E115	Q107-K111 VanDerWaalsContact O-CB 3.31Å; Q107-K111 WeakPolarHBondContact O-CB 3.22Å; Q107-K111 PolarHBondContact O-N 3.41Å; Y109-K111 VanDerWaalsContact C-N 3.3Å; Y109-K111 PolarHBondContact O-N 3.44Å; K111-V113 PolarHBondContact O-N 3.31Å; K111-S114 PolarHBondContact O-N 3.34Å; K111-E115 WeakPolarHBondContact CE-OE1 3.21Å; K111-E115 HydrophobicContact CG-CG 4.36Å; K111-E115 IonicContact NZ-OE1 3.87Å; K111-E115 WeakPolarHBondContact O-CB 3.37Å; K111-E115 WeakPolarHBondContact O-CG 3.41Å; K111-E115 PolarHBondContact O-N 3.11Å
112	R	96.3	Very high	94.4	Very high	40 Å²	40	57.1 Å²	57.1	15%	0.151	28%	0.282	C	S	.	.	H	α-helix	trans	-58.2	-47.1	178.7	-74	177.1	66.6	176.4	8.3	112.6	S68 L71 D72 E75 V108 Y109 L116	S68-R112 PolarHBondContact OG-NH1 3.01Å; L71-R112 HydrophobicContact CD1-CB 4.29Å; D72-R112 IonicContact OD1-CZ 3.22Å; D72-R112 IonicContact OD1-NH1 3.78Å; D72-R112 PolarHBondContact OD1-NH1 3.02Å; D72-R112 IonicContact OD1-NH2 3.54Å; D72-R112 PolarHBondContact OD1-NH2 3.27Å; E75-R112 IonicContact OE1-CZ 3.68Å; E75-R112 IonicContact OE1-NE 3.7Å; E75-R112 PolarHBondContact OE1-NE 3.02Å; E75-R112 IonicContact OE1-NH2 2.88Å; E75-R112 PolarHBondContact OE1-NH2 2.89Å; E75-R112 VanDerWaalsContact OE1-NH2 3.1Å; E75-R112 IonicContact OE2-CZ 2.64Å; E75-R112 IonicContact OE2-NE 3.83Å; E75-R112 IonicContact OE2-NH2 3.62Å; E75-R112 PolarHBondContact OE2-NH2 3.25Å; V108-R112 WeakPolarHBondContact O-CG 3.47Å; V108-R112 PolarHBondContact O-N 2.92Å; V108-R112 VanDerWaalsContact O-N 3.11Å; Y109-R112 PolarHBondContact O-N 3.24Å; R112-L116 WeakPolarHBondContact O-CB 3.43Å; R112-L116 PolarHBondContact O-N 3.45Å
113	V	95.8	Very high	94.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.7	-43.5	177.8	176.9	0	0	0	0	110.7	L71 I97 Y109 K111 L116 V117 F139 F144 M145	L71-V113 HydrophobicContact CD1-CG2 4.32Å; L71-V113 HydrophobicContact CD2-CG2 3.68Å; I97-V113 HydrophobicContact CD1-CB 4.21Å; I97-V113 HydrophobicContact CD1-CG1 3.49Å; I97-V113 VanDerWaalsContact CD1-CG1 3.49Å; I97-V113 HydrophobicContact CD1-CG2 3.66Å; Y109-V113 WeakPolarHBondContact O-CG2 3.44Å; Y109-V113 PolarHBondContact O-N 2.93Å; K111-V113 PolarHBondContact O-N 3.31Å; V113-L116 PolarHBondContact O-N 3.14Å; V113-V117 HydrophobicContact CG1-CG2 4.42Å; V113-V117 WeakPolarHBondContact O-CG2 3.48Å; V113-V117 PolarHBondContact O-N 3.16Å; V113-F139 HydrophobicContact CG1-CD2 4.2Å; V113-F139 HydrophobicContact CG1-CE2 3.49Å; V113-F139 VanDerWaalsContact CG1-CE2 3.49Å; V113-F139 HydrophobicContact CG1-CZ 3.93Å; V113-F144 HydrophobicContact CB-CE1 3.82Å; V113-F144 HydrophobicContact CB-CZ 4.2Å; V113-F144 HydrophobicContact CG1-CE1 3.78Å; V113-F144 HydrophobicContact CG1-CZ 4.5Å; V113-F144 HydrophobicContact CG2-CE1 4.23Å; V113-F144 HydrophobicContact CG2-CZ 4.15Å; V113-M145 HydrophobicContact CB-CE 4.15Å; V113-M145 HydrophobicContact CG1-CE 3.64Å
114	S	94.1	Very high	94.8	Very high	26 Å²	26	58.7 Å²	58.7	18%	0.182	28%	0.28	C	S	.	.	H	α-helix	trans	-58.7	-52.5	178	-175.9	0	0	0	0	111.4	R110 K111 L116 V117 M118 M145	R110-S114 VanDerWaalsContact O-CB 3.28Å; R110-S114 WeakPolarHBondContact O-CB 3.34Å; R110-S114 PolarHBondContact O-N 3.36Å; K111-S114 PolarHBondContact O-N 3.34Å; S114-L116 VanDerWaalsContact C-N 3.3Å; S114-L116 PolarHBondContact O-N 2.9Å; S114-V117 PolarHBondContact O-N 3.4Å; S114-M118 WeakPolarHBondContact O-CB 3.4Å; S114-M118 WeakPolarHBondContact O-CG 3.36Å; S114-M118 PolarHBondContact O-N 2.85Å; S114-M118 VanDerWaalsContact OG-CE 3.31Å; S114-M118 WeakPolarHBondContact OG-CE 3.48Å; S114-M145 VanDerWaalsContact CA-CE 3.4Å
115	E	94.3	Very high	95	Very high	106 Å²	106	61.5 Å²	61.5	50%	0.495	29%	0.293	S	S	.	.	H	α-helix	trans	-58	-41.8	177.8	-72.5	175.2	170.7	0	0	112	K111 C119	K111-E115 WeakPolarHBondContact CE-OE1 3.21Å; K111-E115 HydrophobicContact CG-CG 4.36Å; K111-E115 IonicContact NZ-OE1 3.87Å; K111-E115 WeakPolarHBondContact O-CB 3.37Å; K111-E115 WeakPolarHBondContact O-CG 3.41Å; K111-E115 PolarHBondContact O-N 3.11Å; E115-C119 VanDerWaalsContact O-CB 3.29Å; E115-C119 WeakPolarHBondContact O-CB 3.4Å; E115-C119 PolarHBondContact O-N 2.81Å
116	L	96.4	Very high	95.3	Very high	18 Å²	18	61.3 Å²	61.3	9%	0.094	29%	0.287	C	S	.	.	H	α-helix	trans	-63.6	-49.6	177.4	179.2	59.9	0	0	0	112.1	C74 E75 A78 L93 R112 V113 S114 C119 L120	C74-L116 HydrophobicContact CB-CD2 4.37Å; E75-L116 HydrophobicContact CG-CD2 4.17Å; A78-L116 HydrophobicContact CB-CD1 3.6Å; L93-L116 HydrophobicContact CD1-CD2 3.67Å; R112-L116 WeakPolarHBondContact O-CB 3.43Å; R112-L116 PolarHBondContact O-N 3.45Å; V113-L116 PolarHBondContact O-N 3.14Å; S114-L116 VanDerWaalsContact C-N 3.3Å; S114-L116 PolarHBondContact O-N 2.9Å; L116-C119 WeakPolarHBondContact O-CB 3.41Å; L116-C119 PolarHBondContact O-N 3.14Å; L116-L120 HydrophobicContact CD1-CD1 4Å; L116-L120 HydrophobicContact CD1-CG 4.36Å; L116-L120 HydrophobicContact CG-CD1 4.18Å; L116-L120 WeakPolarHBondContact O-CG 3.41Å; L116-L120 PolarHBondContact O-N 2.95Å
117	V	95.3	Very high	95.5	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-67.7	-40.2	179.8	174.9	0	0	0	0	111.5	L90 V113 S114 C119 L120 L121 A132 F136 F139	L90-V117 HydrophobicContact CD2-CG2 3.99Å; V113-V117 HydrophobicContact CG1-CG2 4.42Å; V113-V117 WeakPolarHBondContact O-CG2 3.48Å; V113-V117 PolarHBondContact O-N 3.16Å; S114-V117 PolarHBondContact O-N 3.4Å; V117-C119 VanDerWaalsContact C-N 3.29Å; V117-C119 PolarHBondContact O-N 2.74Å; V117-L120 CarbonylContact O-C 3.33Å; V117-L120 PolarHBondContact O-N 3.42Å; V117-L120 VanDerWaalsContact O-N 3.14Å; V117-L121 HydrophobicContact CG1-CD1 4.4Å; V117-L121 HydrophobicContact CG1-CG 4.45Å; V117-L121 WeakPolarHBondContact O-CG 3.33Å; V117-L121 PolarHBondContact O-N 2.88Å; V117-A132 HydrophobicContact CG1-CB 4.29Å; V117-F136 HydrophobicContact CG1-CB 4.14Å; V117-F136 HydrophobicContact CG1-CD2 3.73Å; V117-F136 HydrophobicContact CG1-CG 4.21Å; V117-F139 HydrophobicContact CG2-CD2 4.47Å; V117-F139 HydrophobicContact CG2-CE2 3.72Å
118	M	93.8	Very high	95.8	Very high	24 Å²	24	55 Å²	55	12%	0.118	26%	0.255	C	S	.	.	H	α-helix	trans	-59.4	-38.4	173.1	-78.9	-173.4	-175.7	0	0	112.6	S114 F136 D148 W154	S114-M118 WeakPolarHBondContact O-CB 3.4Å; S114-M118 WeakPolarHBondContact O-CG 3.36Å; S114-M118 PolarHBondContact O-N 2.85Å; S114-M118 VanDerWaalsContact OG-CE 3.31Å; S114-M118 WeakPolarHBondContact OG-CE 3.48Å; M118-F136 HydrophobicContact CE-CZ 4.33Å; M118-D148 WeakPolarHBondContact CE-OD2 3.47Å; M118-W154 HydrophobicContact CB-CH2 3.73Å; M118-W154 HydrophobicContact CG-CH2 3.8Å; M118-W154 HydrophobicContact SD-CH2 4.24Å
119	C	95.1	Very high	95.9	Very high	74 Å²	74	51.2 Å²	51.2	50%	0.5	23%	0.23	S	C	.	.	H	α-helix	trans	-62.8	-48.8	172	-172.6	0	0	0	0	111.1	E115 L116 V117 L121 R122	E115-C119 VanDerWaalsContact O-CB 3.29Å; E115-C119 WeakPolarHBondContact O-CB 3.4Å; E115-C119 PolarHBondContact O-N 2.81Å; L116-C119 WeakPolarHBondContact O-CB 3.41Å; L116-C119 PolarHBondContact O-N 3.14Å; V117-C119 VanDerWaalsContact C-N 3.29Å; V117-C119 PolarHBondContact O-N 2.74Å; C119-L121 PolarHBondContact O-N 3.32Å; C119-R122 CarbonylContact O-C 3.52Å; C119-R122 PolarHBondContact O-N 3.42Å; C119-R122 VanDerWaalsContact O-N 3.1Å
120	L	96.8	Very high	96.1	Very high	5 Å²	5	55.3 Å²	55.3	3%	0.026	25%	0.249	C	C	.	.	H	α-helix	trans	-73.5	-22.3	-176.2	-64.8	174.4	0	0	0	113.9	A78 R86 L90 L116 V117 R122 D123 V128 A132	A78-L120 HydrophobicContact CB-CD1 4.28Å; A78-L120 HydrophobicContact CB-CD2 4.44Å; R86-L120 HydrophobicContact CB-CD2 4.35Å; L90-L120 HydrophobicContact CD1-CB 4.16Å; L90-L120 HydrophobicContact CD1-CD1 3.9Å; L90-L120 HydrophobicContact CD2-CB 4.35Å; L90-L120 HydrophobicContact CD2-CD1 3.62Å; L90-L120 HydrophobicContact CG-CD1 3.69Å; L116-L120 HydrophobicContact CD1-CD1 4Å; L116-L120 HydrophobicContact CD1-CG 4.36Å; L116-L120 HydrophobicContact CG-CD1 4.18Å; L116-L120 WeakPolarHBondContact O-CG 3.41Å; L116-L120 PolarHBondContact O-N 2.95Å; V117-L120 CarbonylContact O-C 3.33Å; V117-L120 PolarHBondContact O-N 3.42Å; V117-L120 VanDerWaalsContact O-N 3.14Å; L120-R122 PolarHBondContact O-N 3.26Å; L120-D123 VanDerWaalsContact O-CB 3.22Å; L120-D123 WeakPolarHBondContact O-CB 3.41Å; L120-D123 PolarHBondContact O-N 3.18Å; L120-D123 VanDerWaalsContact O-N 3.15Å; L120-V128 HydrophobicContact CB-CG1 4.13Å; L120-V128 HydrophobicContact CD2-CG1 3.96Å; L120-A132 HydrophobicContact CB-CB 4.06Å
121	L	95.8	Very high	96.2	Very high	0 Å²	0	52 Å²	52	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.2	-24.1	168.3	-85.1	170.5	0	0	0	112.5	V117 C119 R129 A132 F136 W154 G165 L168	V117-L121 HydrophobicContact CG1-CD1 4.4Å; V117-L121 HydrophobicContact CG1-CG 4.45Å; V117-L121 WeakPolarHBondContact O-CG 3.33Å; V117-L121 PolarHBondContact O-N 2.88Å; C119-L121 PolarHBondContact O-N 3.32Å; L121-R129 WeakPolarHBondContact O-CD 3.46Å; L121-R129 VanDerWaalsContact O-CG 3.24Å; L121-R129 WeakPolarHBondContact O-CG 3.25Å; L121-A132 HydrophobicContact CD2-CB 3.96Å; L121-A132 HydrophobicContact CG-CB 3.88Å; L121-F136 HydrophobicContact CD1-CD1 4.07Å; L121-F136 HydrophobicContact CD1-CE1 4.28Å; L121-F136 HydrophobicContact CD1-CG 4.3Å; L121-W154 HydrophobicContact CB-CZ3 4.4Å; L121-W154 HydrophobicContact CD1-CZ3 4.47Å; L121-G165 WeakPolarHBondContact O-CA 3.36Å; L121-L168 HydrophobicContact CD2-CB 4.09Å
122	R	95.2	Very high	96.4	Very high	97 Å²	97	46.1 Å²	46.1	37%	0.366	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	18.1	176.5	-57.7	179	-62.5	-143.1	-2.5	112.5	C119 L120 W154 I161	C119-R122 CarbonylContact O-C 3.52Å; C119-R122 PolarHBondContact O-N 3.42Å; C119-R122 VanDerWaalsContact O-N 3.1Å; L120-R122 PolarHBondContact O-N 3.26Å; R122-W154 HydrophobicContact CG-CE3 4.23Å; R122-W154 HydrophobicContact CG-CZ3 4.26Å; R122-I161 VanDerWaalsContact O-CG2 3.26Å; R122-I161 WeakPolarHBondContact O-CG2 3.48Å
123	D	97.4	Very high	96.4	Very high	20 Å²	20	44.8 Å²	44.8	11%	0.107	21%	0.209	C	C	.	.			trans	-59.9	150.1	176.1	-163.3	-74.2	0	0	0	111	R86 L120 Q125 V128 R129	R86-D123 IonicContact CZ-OD1 3.04Å; R86-D123 IonicContact CZ-OD2 2.93Å; R86-D123 IonicContact NE-OD1 3.68Å; R86-D123 IonicContact NE-OD2 3.5Å; R86-D123 PolarHBondContact NE-OD2 3.22Å; R86-D123 VanDerWaalsContact NH2-CG 3.34Å; R86-D123 IonicContact NH2-OD1 3.04Å; R86-D123 PolarHBondContact NH2-OD1 2.87Å; R86-D123 IonicContact NH2-OD2 3.5Å; R86-D123 PolarHBondContact NH2-OD2 3.04Å; L120-D123 VanDerWaalsContact O-CB 3.22Å; L120-D123 WeakPolarHBondContact O-CB 3.41Å; L120-D123 PolarHBondContact O-N 3.18Å; L120-D123 VanDerWaalsContact O-N 3.15Å; D123-Q125 PolarHBondContact O-N 3.06Å; D123-Q125 WeakPolarHBondContact OD1-CB 3.22Å; D123-Q125 PolarHBondContact OD1-N 3.4Å; D123-V128 HydrophobicContact CB-CB 3.81Å; D123-V128 HydrophobicContact CB-CG1 3.63Å; D123-R129 HydrophobicContact CB-CG 4.2Å; D123-R129 VanDerWaalsContact O-CD 3.24Å; D123-R129 WeakPolarHBondContact O-CD 3.32Å; D123-R129 VanDerWaalsContact O-CG 3.31Å; D123-R129 WeakPolarHBondContact O-CG 3.39Å; D123-R129 PolarHBondContact O-NH1 2.93Å
124	R	96.3	Very high	96.5	Very high	221 Å²	221	51.3 Å²	51.3	83%	0.834	24%	0.238	S	C	*	.	S	Bend	trans	-62.1	-34.3	176	-66.1	-178.4	179	176.3	-0.4	111.8	R129	R124-R129 PolarHBondContact O-NH1 3.09Å
125	Q	97.5	Very high	96.6	Very high	59 Å²	59	50.1 Å²	50.1	28%	0.276	23%	0.229	S	C	.	.	S	Bend	trans	-86.7	127.4	-177.3	-172.9	67.1	-10.5	0	0	112.2	W83 D123 E127 V128 R129	W83-Q125 HydrophobicContact CB-CB 4.01Å; W83-Q125 HydrophobicContact CB-CG 3.88Å; W83-Q125 HydrophobicContact CD2-CG 3.91Å; W83-Q125 HydrophobicContact CE3-CG 4.06Å; W83-Q125 HydrophobicContact CG-CB 4.47Å; W83-Q125 HydrophobicContact CG-CG 3.86Å; D123-Q125 PolarHBondContact O-N 3.06Å; D123-Q125 WeakPolarHBondContact OD1-CB 3.22Å; D123-Q125 PolarHBondContact OD1-N 3.4Å; Q125-E127 VanDerWaalsContact C-N 3.33Å; Q125-E127 HydrophobicContact CG-CB 4.39Å; Q125-E127 WeakPolarHBondContact CG-OE2 3.5Å; Q125-E127 PolarHBondContact NE2-OE2 2.92Å; Q125-E127 PolarHBondContact O-N 2.79Å; Q125-V128 HydrophobicContact CB-CB 4.39Å; Q125-V128 HydrophobicContact CB-CG2 3.91Å; Q125-V128 HydrophobicContact CG-CG2 4.19Å; Q125-V128 PolarHBondContact O-N 2.92Å; Q125-R129 PolarHBondContact O-N 3.33Å
126	I	97.2	Very high	96.6	Very high	61 Å²	61	45.2 Å²	45.2	31%	0.313	21%	0.206	S	C	.	.	H	α-helix	trans	-61.8	-40.8	-175.5	-63.8	164.5	0	0	0	111.6	V128 R129 K130 L202	I126-V128 VanDerWaalsContact C-N 3.27Å; I126-V128 PolarHBondContact O-N 3.36Å; I126-R129 WeakPolarHBondContact O-CB 3.13Å; I126-R129 PolarHBondContact O-N 3.05Å; I126-R129 VanDerWaalsContact O-N 3.16Å; I126-K130 HydrophobicContact CG2-CD 4.18Å; I126-K130 HydrophobicContact CG2-CG 4.33Å; I126-K130 WeakPolarHBondContact O-CG 3.37Å; I126-K130 PolarHBondContact O-N 3.48Å; I126-L202 HydrophobicContact CD1-CD1 4.22Å; I126-L202 HydrophobicContact CD1-CD2 4.02Å; I126-L202 HydrophobicContact CG1-CD2 4Å; I126-L202 HydrophobicContact CG2-CD1 3.98Å
127	E	97.4	Very high	96.6	Very high	86 Å²	86	45.1 Å²	45.1	40%	0.402	21%	0.207	S	C	.	.	H	α-helix	trans	-63.2	-35.1	-179.5	-65.6	85.2	162.8	0	0	111.8	W83 V87 Q125 A131	W83-E127 HydrophobicContact CE3-CB 4.21Å; W83-E127 HydrophobicContact CH2-CG 4.49Å; W83-E127 HydrophobicContact CZ3-CB 3.83Å; W83-E127 HydrophobicContact CZ3-CG 4.12Å; V87-E127 HydrophobicContact CG2-CB 4.39Å; Q125-E127 VanDerWaalsContact C-N 3.33Å; Q125-E127 HydrophobicContact CG-CB 4.39Å; Q125-E127 WeakPolarHBondContact CG-OE2 3.5Å; Q125-E127 PolarHBondContact NE2-OE2 2.92Å; Q125-E127 PolarHBondContact O-N 2.79Å; E127-A131 WeakPolarHBondContact O-CB 3.39Å; E127-A131 PolarHBondContact O-N 3.37Å
128	V	98	Very high	96.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-67.9	-45.7	174.2	-178.3	0	0	0	0	109.7	W83 R86 V87 L90 L120 D123 Q125 I126 K130 A131 A132	W83-V128 HydrophobicContact CB-CG2 3.85Å; R86-V128 HydrophobicContact CB-CG1 4.04Å; R86-V128 HydrophobicContact CB-CG2 4.14Å; V87-V128 HydrophobicContact CG2-CB 4.48Å; V87-V128 HydrophobicContact CG2-CG2 3.88Å; L90-V128 HydrophobicContact CD1-CG1 3.97Å; L120-V128 HydrophobicContact CB-CG1 4.13Å; L120-V128 HydrophobicContact CD2-CG1 3.96Å; D123-V128 HydrophobicContact CB-CB 3.81Å; D123-V128 HydrophobicContact CB-CG1 3.63Å; Q125-V128 HydrophobicContact CB-CB 4.39Å; Q125-V128 HydrophobicContact CB-CG2 3.91Å; Q125-V128 HydrophobicContact CG-CG2 4.19Å; Q125-V128 PolarHBondContact O-N 2.92Å; I126-V128 VanDerWaalsContact C-N 3.27Å; I126-V128 PolarHBondContact O-N 3.36Å; V128-K130 PolarHBondContact O-N 2.91Å; V128-A131 PolarHBondContact O-N 3.21Å; V128-A132 WeakPolarHBondContact O-CB 3.26Å; V128-A132 PolarHBondContact O-N 3.3Å
129	R	97.9	Very high	96.6	Very high	11 Å²	11	45.2 Å²	45.2	4%	0.042	21%	0.209	C	C	.	.	H	α-helix	trans	-58.7	-45.1	176.5	-59.9	-165.4	-72.4	-112.7	15.2	112.1	L121 D123 R124 Q125 I126 A132 S133 H164 L168	L121-R129 WeakPolarHBondContact O-CD 3.46Å; L121-R129 VanDerWaalsContact O-CG 3.24Å; L121-R129 WeakPolarHBondContact O-CG 3.25Å; D123-R129 HydrophobicContact CB-CG 4.2Å; D123-R129 VanDerWaalsContact O-CD 3.24Å; D123-R129 WeakPolarHBondContact O-CD 3.32Å; D123-R129 VanDerWaalsContact O-CG 3.31Å; D123-R129 WeakPolarHBondContact O-CG 3.39Å; D123-R129 PolarHBondContact O-NH1 2.93Å; R124-R129 PolarHBondContact O-NH1 3.09Å; Q125-R129 PolarHBondContact O-N 3.33Å; I126-R129 WeakPolarHBondContact O-CB 3.13Å; I126-R129 PolarHBondContact O-N 3.05Å; I126-R129 VanDerWaalsContact O-N 3.16Å; R129-A132 WeakPolarHBondContact O-CB 3.24Å; R129-A132 PolarHBondContact O-N 2.81Å; R129-S133 PolarHBondContact O-N 3.45Å; R129-H164 PolarHBondContact NE-ND1 3.04Å; R129-L168 HydrophobicContact CB-CD1 3.51Å
130	K	98	Very high	96.5	Very high	112 Å²	112	42.6 Å²	42.6	49%	0.487	19%	0.189	S	C	.	.	H	α-helix	trans	-63.9	-40.7	176.5	-71.5	-176.6	176	-174	0	112.3	I126 V128 A132 S133 K134 L168	I126-K130 HydrophobicContact CG2-CD 4.18Å; I126-K130 HydrophobicContact CG2-CG 4.33Å; I126-K130 WeakPolarHBondContact O-CG 3.37Å; I126-K130 PolarHBondContact O-N 3.48Å; V128-K130 PolarHBondContact O-N 2.91Å; K130-A132 VanDerWaalsContact C-N 3.28Å; K130-A132 PolarHBondContact O-N 3.37Å; K130-S133 PolarHBondContact O-N 3.21Å; K130-K134 PolarHBondContact O-N 3.17Å; K130-K134 VanDerWaalsContact O-N 3.09Å; K130-L168 HydrophobicContact CG-CD2 4.47Å
131	A	97.8	Very high	96.3	Very high	9 Å²	9	47.5 Å²	47.5	7%	0.074	21%	0.212	C	C	.	.	H	α-helix	trans	-64.8	-34.8	174.5	0	0	0	0	0	112.1	V87 L90 Q94 E127 V128 A135	V87-A131 HydrophobicContact CB-CB 4.45Å; V87-A131 HydrophobicContact CG1-CB 4.02Å; V87-A131 HydrophobicContact CG2-CB 4.29Å; L90-A131 HydrophobicContact CB-CB 4.24Å; L90-A131 HydrophobicContact CD1-CB 3.83Å; Q94-A131 PolarHBondContact NE2-O 3.24Å; E127-A131 WeakPolarHBondContact O-CB 3.39Å; E127-A131 PolarHBondContact O-N 3.37Å; V128-A131 PolarHBondContact O-N 3.21Å; A131-A135 PolarHBondContact O-N 3.47Å
132	A	97.7	Very high	96.2	Very high	0 Å²	0	49 Å²	49	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-70	-44.6	178.2	0	0	0	0	0	110.8	L90 V117 L120 L121 V128 R129 K130 K134 A135 F136	L90-A132 HydrophobicContact CD1-CB 3.83Å; L90-A132 HydrophobicContact CD2-CB 4.05Å; V117-A132 HydrophobicContact CG1-CB 4.29Å; L120-A132 HydrophobicContact CB-CB 4.06Å; L121-A132 HydrophobicContact CD2-CB 3.96Å; L121-A132 HydrophobicContact CG-CB 3.88Å; V128-A132 WeakPolarHBondContact O-CB 3.26Å; V128-A132 PolarHBondContact O-N 3.3Å; R129-A132 WeakPolarHBondContact O-CB 3.24Å; R129-A132 PolarHBondContact O-N 2.81Å; K130-A132 VanDerWaalsContact C-N 3.28Å; K130-A132 PolarHBondContact O-N 3.37Å; A132-K134 VanDerWaalsContact C-N 3.33Å; A132-K134 PolarHBondContact O-N 2.89Å; A132-A135 WeakPolarHBondContact O-CA 3.31Å; A132-A135 WeakPolarHBondContact O-CB 3.31Å; A132-A135 PolarHBondContact O-N 2.87Å; A132-F136 WeakPolarHBondContact O-CB 3.33Å; A132-F136 PolarHBondContact O-N 3.47Å
133	S	97.3	Very high	96.1	Very high	11 Å²	11	45.9 Å²	45.9	8%	0.077	22%	0.22	C	C	.	.	H	α-helix	trans	-54.2	-47.5	171.9	179.7	0	0	0	0	112.1	R129 K130 A135 F136 C137 L168 A172	R129-S133 PolarHBondContact O-N 3.45Å; K130-S133 PolarHBondContact O-N 3.21Å; S133-A135 VanDerWaalsContact C-N 3.3Å; S133-A135 PolarHBondContact O-N 3.03Å; S133-F136 WeakPolarHBondContact O-CB 3.22Å; S133-F136 PolarHBondContact O-N 3.24Å; S133-C137 PolarHBondContact O-N 3.38Å; S133-L168 PolarHBondContact OG-O 3.29Å; S133-A172 VanDerWaalsContact O-CB 3.26Å; S133-A172 WeakPolarHBondContact O-CB 3.18Å
134	K	97.2	Very high	95.8	Very high	138 Å²	138	45 Å²	45	60%	0.6	22%	0.216	S	C	*	.	H	α-helix	trans	-61.6	-37.7	175.4	-171.2	171.4	-179.3	166.1	0	112.7	K130 A132 T138	K130-K134 PolarHBondContact O-N 3.17Å; K130-K134 VanDerWaalsContact O-N 3.09Å; A132-K134 VanDerWaalsContact C-N 3.33Å; A132-K134 PolarHBondContact O-N 2.89Å; K134-T138 PolarHBondContact O-N 2.81Å; K134-T138 PolarHBondContact O-OG1 2.93Å
135	A	96.8	Very high	95.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.9	-44.7	175.7	0	0	0	0	0	112.3	L90 Q94 A131 A132 S133 C137 T138 F139	L90-A135 HydrophobicContact CD2-CB 4.23Å; Q94-A135 HydrophobicContact CG-CB 3.59Å; Q94-A135 VanDerWaalsContact NE2-CA 3.33Å; Q94-A135 VanDerWaalsContact NE2-N 3.17Å; A131-A135 PolarHBondContact O-N 3.47Å; A132-A135 WeakPolarHBondContact O-CA 3.31Å; A132-A135 WeakPolarHBondContact O-CB 3.31Å; A132-A135 PolarHBondContact O-N 2.87Å; S133-A135 VanDerWaalsContact C-N 3.3Å; S133-A135 PolarHBondContact O-N 3.03Å; A135-C137 VanDerWaalsContact C-N 3.34Å; A135-C137 PolarHBondContact O-N 3.46Å; A135-T138 WeakPolarHBondContact O-CB 3.24Å; A135-T138 PolarHBondContact O-N 3.45Å; A135-F139 HydrophobicContact CB-CE2 4.22Å; A135-F139 HydrophobicContact CB-CZ 4.29Å; A135-F139 WeakPolarHBondContact O-CD2 3.18Å; A135-F139 WeakPolarHBondContact O-CG 3.5Å; A135-F139 PolarHBondContact O-N 3.15Å
136	F	94	Very high	95.2	Very high	3 Å²	3	39.3 Å²	39.3	1%	0.013	20%	0.199	C	C	.	.	H	α-helix	trans	-59.8	-44.2	177.9	-147.1	-134.5	0	0	0	111.5	V117 M118 L121 A132 S133 T138 F139 F140 M145 T151 A172	V117-F136 HydrophobicContact CG1-CB 4.14Å; V117-F136 HydrophobicContact CG1-CD2 3.73Å; V117-F136 HydrophobicContact CG1-CG 4.21Å; M118-F136 HydrophobicContact CE-CZ 4.33Å; L121-F136 HydrophobicContact CD1-CD1 4.07Å; L121-F136 HydrophobicContact CD1-CE1 4.28Å; L121-F136 HydrophobicContact CD1-CG 4.3Å; A132-F136 WeakPolarHBondContact O-CB 3.33Å; A132-F136 PolarHBondContact O-N 3.47Å; S133-F136 WeakPolarHBondContact O-CB 3.22Å; S133-F136 PolarHBondContact O-N 3.24Å; F136-T138 PolarHBondContact O-N 2.88Å; F136-F139 PolarHBondContact O-N 3.29Å; F136-F139 VanDerWaalsContact O-N 3.1Å; F136-F140 HydrophobicContact CB-CE2 4.47Å; F136-F140 HydrophobicContact CD1-CD2 4.32Å; F136-F140 AromaticContact CD1-CE2 3.27Å; F136-F140 HydrophobicContact CD1-CE2 3.27Å; F136-F140 AromaticContact CD1-CZ 3.72Å; F136-F140 HydrophobicContact CD1-CZ 3.72Å; F136-F140 HydrophobicContact CD2-CE2 4.3Å; F136-F140 HydrophobicContact CD2-CZ 4.34Å; F136-F140 AromaticContact CE1-CE2 3.37Å; F136-F140 HydrophobicContact CE1-CE2 3.37Å; F136-F140 AromaticContact CE1-CZ 3.3Å; F136-F140 HydrophobicContact CE1-CZ 3.3Å; F136-F140 HydrophobicContact CE2-CE2 4.39Å; F136-F140 HydrophobicContact CE2-CZ 4.01Å; F136-F140 AromaticContact CG-CE2 3.75Å; F136-F140 HydrophobicContact CG-CE2 3.75Å; F136-F140 HydrophobicContact CG-CZ 4.2Å; F136-F140 HydrophobicContact CZ-CE1 4.45Å; F136-F140 AromaticContact CZ-CE2 3.96Å; F136-F140 HydrophobicContact CZ-CE2 3.96Å; F136-F140 AromaticContact CZ-CZ 3.46Å; F136-F140 HydrophobicContact CZ-CZ 3.46Å; F136-F140 VanDerWaalsContact CZ-CZ 3.46Å; F136-F140 WeakPolarHBondContact O-CD2 3.25Å; F136-F140 PolarHBondContact O-N 3.3Å; F136-M145 HydrophobicContact CD2-SD 3.76Å; F136-M145 HydrophobicContact CE2-SD 3.49Å; F136-M145 WeakPolarHBondContact CE2-SD 3.37Å; F136-T151 HydrophobicContact CE1-CG2 3.78Å; F136-T151 HydrophobicContact CZ-CG2 4.27Å; F136-A172 HydrophobicContact CB-CB 4.09Å; F136-A172 HydrophobicContact CD1-CB 4.22Å
137	C	95.4	Very high	94.7	Very high	16 Å²	16	38.5 Å²	38.5	11%	0.108	20%	0.197	C	C	.	.	H	α-helix	trans	-54.7	-49.5	173.6	177.5	0	0	0	0	111.6	S133 A135 F139 F140 Q141 A172	S133-C137 PolarHBondContact O-N 3.38Å; A135-C137 VanDerWaalsContact C-N 3.34Å; A135-C137 PolarHBondContact O-N 3.46Å; C137-F139 VanDerWaalsContact C-N 3.3Å; C137-F139 PolarHBondContact O-N 3.24Å; C137-F140 PolarHBondContact O-N 2.78Å; C137-Q141 WeakPolarHBondContact O-CG 3.12Å; C137-Q141 PolarHBondContact O-N 3.1Å; C137-A172 HydrophobicContact CB-CB 3.98Å
138	T	94.6	Very high	93.9	Very high	26 Å²	26	36.5 Å²	36.5	16%	0.16	19%	0.189	C	C	.	.	H	α-helix	trans	-60.1	-39.6	176.5	-58	0	0	0	0	112.3	F98 K134 A135 F136 Q141 C142	F98-T138 HydrophobicContact CB-CG2 4.5Å; K134-T138 PolarHBondContact O-N 2.81Å; K134-T138 PolarHBondContact O-OG1 2.93Å; A135-T138 WeakPolarHBondContact O-CB 3.24Å; A135-T138 PolarHBondContact O-N 3.45Å; F136-T138 PolarHBondContact O-N 2.88Å; T138-Q141 PolarHBondContact O-N 3.1Å; T138-C142 PolarHBondContact O-N 3.35Å; T138-C142 PolarHBondContact O-SG 2.7Å
139	F	95.3	Very high	92.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-69.1	-32.7	-179.1	-61.2	-21.8	0	0	0	113.4	L93 I97 V113 V117 A135 F136 C137 G143 F144 M145	L93-F139 HydrophobicContact CB-CZ 4.33Å; I97-F139 HydrophobicContact CB-CE1 3.92Å; I97-F139 HydrophobicContact CD1-CE1 3.71Å; I97-F139 HydrophobicContact CD1-CE2 4.33Å; I97-F139 HydrophobicContact CD1-CZ 3.54Å; I97-F139 HydrophobicContact CG1-CE1 4.39Å; I97-F139 HydrophobicContact CG2-CD1 4.25Å; I97-F139 HydrophobicContact CG2-CE1 4.06Å; V113-F139 HydrophobicContact CG1-CD2 4.2Å; V113-F139 HydrophobicContact CG1-CE2 3.49Å; V113-F139 VanDerWaalsContact CG1-CE2 3.49Å; V113-F139 HydrophobicContact CG1-CZ 3.93Å; V117-F139 HydrophobicContact CG2-CD2 4.47Å; V117-F139 HydrophobicContact CG2-CE2 3.72Å; A135-F139 HydrophobicContact CB-CE2 4.22Å; A135-F139 HydrophobicContact CB-CZ 4.29Å; A135-F139 WeakPolarHBondContact O-CD2 3.18Å; A135-F139 WeakPolarHBondContact O-CG 3.5Å; A135-F139 PolarHBondContact O-N 3.15Å; F136-F139 PolarHBondContact O-N 3.29Å; F136-F139 VanDerWaalsContact O-N 3.1Å; C137-F139 VanDerWaalsContact C-N 3.3Å; C137-F139 PolarHBondContact O-N 3.24Å; F139-G143 PolarHBondContact O-N 3.47Å; F139-F144 HydrophobicContact CB-CB 4.2Å; F139-F144 HydrophobicContact CB-CD1 4.12Å; F139-F144 HydrophobicContact CD1-CD1 4.25Å; F139-F144 HydrophobicContact CD2-CD1 4.41Å; F139-F144 HydrophobicContact CG-CD1 4.02Å; F139-F144 WeakPolarHBondContact O-CA 3.38Å; F139-F144 WeakPolarHBondContact O-CB 3.46Å; F139-F144 PolarHBondContact O-N 3.03Å; F139-M145 HydrophobicContact CB-CB 4.3Å; F139-M145 HydrophobicContact CB-CE 4.43Å; F139-M145 HydrophobicContact CB-CG 4.04Å; F139-M145 HydrophobicContact CB-SD 4.02Å; F139-M145 HydrophobicContact CD2-CE 3.47Å; F139-M145 VanDerWaalsContact CD2-CE 3.47Å; F139-M145 HydrophobicContact CD2-SD 3.86Å; F139-M145 HydrophobicContact CE2-CE 4.04Å; F139-M145 HydrophobicContact CG-CE 4.25Å; F139-M145 HydrophobicContact CG-SD 4.4Å; F139-M145 PolarHBondContact O-N 3.16Å; F139-M145 VanDerWaalsContact O-N 3.14Å
140	F	93.9	Very high	91.8	Very high	20 Å²	20	45.8 Å²	45.8	9%	0.088	24%	0.24	C	C	.	.	H	α-helix	trans	-70.4	-45.8	169	-64.6	-53.4	0	0	0	111.6	F136 C137 C142 G143 M145 E146 P147 I173 S176	F136-F140 HydrophobicContact CB-CE2 4.47Å; F136-F140 HydrophobicContact CD1-CD2 4.32Å; F136-F140 AromaticContact CD1-CE2 3.27Å; F136-F140 HydrophobicContact CD1-CE2 3.27Å; F136-F140 AromaticContact CD1-CZ 3.72Å; F136-F140 HydrophobicContact CD1-CZ 3.72Å; F136-F140 HydrophobicContact CD2-CE2 4.3Å; F136-F140 HydrophobicContact CD2-CZ 4.34Å; F136-F140 AromaticContact CE1-CE2 3.37Å; F136-F140 HydrophobicContact CE1-CE2 3.37Å; F136-F140 AromaticContact CE1-CZ 3.3Å; F136-F140 HydrophobicContact CE1-CZ 3.3Å; F136-F140 HydrophobicContact CE2-CE2 4.39Å; F136-F140 HydrophobicContact CE2-CZ 4.01Å; F136-F140 AromaticContact CG-CE2 3.75Å; F136-F140 HydrophobicContact CG-CE2 3.75Å; F136-F140 HydrophobicContact CG-CZ 4.2Å; F136-F140 HydrophobicContact CZ-CE1 4.45Å; F136-F140 AromaticContact CZ-CE2 3.96Å; F136-F140 HydrophobicContact CZ-CE2 3.96Å; F136-F140 AromaticContact CZ-CZ 3.46Å; F136-F140 HydrophobicContact CZ-CZ 3.46Å; F136-F140 VanDerWaalsContact CZ-CZ 3.46Å; F136-F140 WeakPolarHBondContact O-CD2 3.25Å; F136-F140 PolarHBondContact O-N 3.3Å; C137-F140 PolarHBondContact O-N 2.78Å; F140-C142 PolarHBondContact O-N 2.68Å; F140-G143 PolarHBondContact O-N 2.85Å; F140-M145 HydrophobicContact CD1-CB 3.98Å; F140-M145 WeakPolarHBondContact CD1-O 3.36Å; F140-M145 HydrophobicContact CE1-CB 3.8Å; F140-E146 VanDerWaalsContact CE1-C 3.47Å; F140-P147 HydrophobicContact CD1-CG 4.41Å; F140-P147 HydrophobicContact CE1-CG 4.38Å; F140-I173 HydrophobicContact CD2-CG1 3.85Å; F140-I173 HydrophobicContact CE2-CB 4.45Å; F140-I173 HydrophobicContact CE2-CD1 4.27Å; F140-I173 HydrophobicContact CE2-CG1 3.33Å; F140-I173 HydrophobicContact CZ-CD1 4.26Å; F140-I173 HydrophobicContact CZ-CG1 3.73Å; F140-S176 WeakPolarHBondContact CB-OG 2.92Å
141	Q	92.6	Very high	90.8	Very high	107 Å²	107	40.6 Å²	40.6	50%	0.5	22%	0.218	S	C	.	.	H	α-helix	trans	-57.5	-35.6	-179.5	-75.9	176.8	-16.8	0	0	113.2	C137 T138 D175 S176	C137-Q141 WeakPolarHBondContact O-CG 3.12Å; C137-Q141 PolarHBondContact O-N 3.1Å; T138-Q141 PolarHBondContact O-N 3.1Å; Q141-D175 PolarHBondContact NE2-O 3.36Å; Q141-S176 WeakPolarHBondContact CG-O 3.42Å
142	C	92.8	Very high	89.9	Confident	31 Å²	31	43.2 Å²	43.2	21%	0.209	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	5.7	178.1	69.7	0	0	0	0	114.5	F98 I101 T138 F140 F144	F98-C142 HydrophobicContact CD2-CB 3.91Å; F98-C142 HydrophobicContact CE2-CB 4.24Å; I101-C142 HydrophobicContact CD1-CB 3.96Å; I101-C142 WeakPolarHBondContact CD1-O 3.41Å; T138-C142 PolarHBondContact O-N 3.35Å; T138-C142 PolarHBondContact O-SG 2.7Å; F140-C142 PolarHBondContact O-N 2.68Å; C142-F144 VanDerWaalsContact C-N 3.26Å; C142-F144 PolarHBondContact O-N 3.19Å
143	G	92.2	Very high	89.1	Confident	33 Å²	33	48.2 Å²	48.2	34%	0.34	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	23.2	-179.6	0	0	0	0	0	114.2	F139 F140	F139-G143 PolarHBondContact O-N 3.47Å; F140-G143 PolarHBondContact O-N 2.85Å
144	F	93.1	Very high	88.6	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.009	26%	0.257	C	S	.	.	S	Bend	trans	-78	-32.3	175.9	-175.4	-102.3	0	0	0	112	I97 I101 F104 R110 V113 F139 C142	I97-F144 HydrophobicContact CD1-CE1 4.28Å; I97-F144 HydrophobicContact CD1-CZ 4.39Å; I97-F144 HydrophobicContact CG2-CB 4.47Å; I97-F144 HydrophobicContact CG2-CD1 4.04Å; I97-F144 HydrophobicContact CG2-CD2 3.66Å; I97-F144 HydrophobicContact CG2-CE1 4.2Å; I97-F144 HydrophobicContact CG2-CE2 3.8Å; I97-F144 HydrophobicContact CG2-CG 3.78Å; I97-F144 HydrophobicContact CG2-CZ 4.07Å; I101-F144 HydrophobicContact CD1-CB 4.42Å; I101-F144 HydrophobicContact CG1-CD2 4.24Å; F104-F144 HydrophobicContact CB-CE2 3.59Å; F104-F144 HydrophobicContact CB-CZ 4.12Å; F104-F144 WeakPolarHBondContact O-CE2 3.33Å; R110-F144 HydrophobicContact CB-CZ 4.3Å; R110-F144 HydrophobicContact CG-CD2 4.4Å; R110-F144 HydrophobicContact CG-CE1 4.5Å; R110-F144 HydrophobicContact CG-CE2 3.81Å; R110-F144 HydrophobicContact CG-CZ 3.86Å; V113-F144 HydrophobicContact CB-CE1 3.82Å; V113-F144 HydrophobicContact CB-CZ 4.2Å; V113-F144 HydrophobicContact CG1-CE1 3.78Å; V113-F144 HydrophobicContact CG1-CZ 4.5Å; V113-F144 HydrophobicContact CG2-CE1 4.23Å; V113-F144 HydrophobicContact CG2-CZ 4.15Å; F139-F144 HydrophobicContact CB-CB 4.2Å; F139-F144 HydrophobicContact CB-CD1 4.12Å; F139-F144 HydrophobicContact CD1-CD1 4.25Å; F139-F144 HydrophobicContact CD2-CD1 4.41Å; F139-F144 HydrophobicContact CG-CD1 4.02Å; F139-F144 WeakPolarHBondContact O-CA 3.38Å; F139-F144 WeakPolarHBondContact O-CB 3.46Å; F139-F144 PolarHBondContact O-N 3.03Å; C142-F144 VanDerWaalsContact C-N 3.26Å; C142-F144 PolarHBondContact O-N 3.19Å
145	M	92.2	Very high	88.1	Confident	18 Å²	18	42.7 Å²	42.7	9%	0.089	23%	0.228	C	C	.	.	S	Bend	trans	-127.4	154.7	174.4	-66.5	-179.5	-172.4	0	0	110	V113 S114 F136 F139 F140	V113-M145 HydrophobicContact CB-CE 4.15Å; V113-M145 HydrophobicContact CG1-CE 3.64Å; S114-M145 VanDerWaalsContact CA-CE 3.4Å; F136-M145 HydrophobicContact CD2-SD 3.76Å; F136-M145 HydrophobicContact CE2-SD 3.49Å; F136-M145 WeakPolarHBondContact CE2-SD 3.37Å; F139-M145 HydrophobicContact CB-CB 4.3Å; F139-M145 HydrophobicContact CB-CE 4.43Å; F139-M145 HydrophobicContact CB-CG 4.04Å; F139-M145 HydrophobicContact CB-SD 4.02Å; F139-M145 HydrophobicContact CD2-CE 3.47Å; F139-M145 VanDerWaalsContact CD2-CE 3.47Å; F139-M145 HydrophobicContact CD2-SD 3.86Å; F139-M145 HydrophobicContact CE2-CE 4.04Å; F139-M145 HydrophobicContact CG-CE 4.25Å; F139-M145 HydrophobicContact CG-SD 4.4Å; F139-M145 PolarHBondContact O-N 3.16Å; F139-M145 VanDerWaalsContact O-N 3.14Å; F140-M145 HydrophobicContact CD1-CB 3.98Å; F140-M145 WeakPolarHBondContact CD1-O 3.36Å; F140-M145 HydrophobicContact CE1-CB 3.8Å
146	E	88.4	Confident	87.8	Confident	141 Å²	141	49.4 Å²	49.4	66%	0.659	26%	0.258	S	S	*	.			trans	-112	145.3	172.1	-66.6	-61.8	152.9	0	0	109.1	F140 D148	F140-E146 VanDerWaalsContact CE1-C 3.47Å; E146-D148 PolarHBondContact O-N 3.44Å
147	P	85.4	Confident	87.7	Confident	44 Å²	44	50.9 Å²	50.9	29%	0.286	27%	0.268	S	S	.	.			trans	-53.7	130	176.4	-26.4	35.4	0	0	0	111.6	F140 I173 Y184	F140-P147 HydrophobicContact CD1-CG 4.41Å; F140-P147 HydrophobicContact CE1-CG 4.38Å; P147-I173 HydrophobicContact CB-CD1 4.09Å; P147-I173 HydrophobicContact CB-CG2 4.43Å; P147-I173 HydrophobicContact CG-CG2 4.11Å; P147-Y184 HydrophobicContact CG-CE1 4.4Å; P147-Y184 HydrophobicContact CG-CE2 4Å
148	D	81.1	Confident	87.5	Confident	44 Å²	44	59.9 Å²	59.9	24%	0.235	31%	0.305	C	S	.	.			trans	-116	158.7	177	79.4	-8.7	0	0	0	112.3	M118 E146 N150 T151	M118-D148 WeakPolarHBondContact CE-OD2 3.47Å; E146-D148 PolarHBondContact O-N 3.44Å; D148-N150 PolarHBondContact O-N 3.18Å; D148-N150 PolarHBondContact OD1-N 2.99Å; D148-N150 WeakPolarHBondContact OD2-CB 3.41Å; D148-N150 PolarHBondContact OD2-ND2 3.37Å; D148-T151 PolarHBondContact O-OG1 2.98Å; D148-T151 VanDerWaalsContact O-OG1 3.06Å; D148-T151 PolarHBondContact OD1-N 3.5Å
149	D	72.2	Confident	87.5	Confident	133 Å²	133	62.2 Å²	62.2	71%	0.711	32%	0.317	S	S	*	.	H	α-helix	trans	-69.7	-15.8	-179.8	-69.7	-30.5	0	0	0	113.2	T151 H152 L153	D149-T151 VanDerWaalsContact C-N 3.33Å; D149-T151 PolarHBondContact O-N 2.94Å; D149-H152 PolarHBondContact O-N 2.67Å; D149-L153 WeakPolarHBondContact O-CG 3.42Å; D149-L153 PolarHBondContact O-N 3.5Å
150	N	79.5	Confident	87.6	Confident	74 Å²	74	65.3 Å²	65.3	40%	0.396	34%	0.336	S	S	.	.	H	α-helix	trans	-63.6	-39.5	-175.9	-69.9	-48.4	0	0	0	112.1	D148 H152 L153 W154	D148-N150 PolarHBondContact O-N 3.18Å; D148-N150 PolarHBondContact OD1-N 2.99Å; D148-N150 WeakPolarHBondContact OD2-CB 3.41Å; D148-N150 PolarHBondContact OD2-ND2 3.37Å; N150-H152 VanDerWaalsContact C-N 3.31Å; N150-H152 PolarHBondContact O-N 3.17Å; N150-L153 WeakPolarHBondContact O-CB 3.44Å; N150-L153 PolarHBondContact O-N 3.47Å; N150-L153 VanDerWaalsContact O-N 3.16Å; N150-W154 HydrophobicContact CB-CZ2 4.32Å; N150-W154 VanDerWaalsContact O-CD1 3.27Å; N150-W154 PolarHBondContact O-N 3.36Å
151	T	76.8	Confident	87.7	Confident	3 Å²	3	66.9 Å²	66.9	2%	0.018	35%	0.345	C	S	.	.	H	α-helix	trans	-60.3	-42.2	178	56	0	0	0	0	112	F136 D148 D149 W154 S155	F136-T151 HydrophobicContact CE1-CG2 3.78Å; F136-T151 HydrophobicContact CZ-CG2 4.27Å; D148-T151 PolarHBondContact O-OG1 2.98Å; D148-T151 VanDerWaalsContact O-OG1 3.06Å; D148-T151 PolarHBondContact OD1-N 3.5Å; D149-T151 VanDerWaalsContact C-N 3.33Å; D149-T151 PolarHBondContact O-N 2.94Å; T151-W154 PolarHBondContact O-N 3.06Å; T151-S155 PolarHBondContact O-N 3.21Å
152	H	79.7	Confident	87.8	Confident	63 Å²	63	63.2 Å²	63.2	29%	0.292	33%	0.33	S	S	.	.	H	α-helix	trans	-65.8	-37.7	174.3	172.4	-112.8	0	0	0	112.1	D149 N150 W154 S155 K156 L170	D149-H152 PolarHBondContact O-N 2.67Å; N150-H152 VanDerWaalsContact C-N 3.31Å; N150-H152 PolarHBondContact O-N 3.17Å; H152-W154 VanDerWaalsContact C-N 3.31Å; H152-W154 PolarHBondContact O-N 3.06Å; H152-S155 PolarHBondContact O-N 3.37Å; H152-S155 PolarHBondContact O-OG 3.3Å; H152-K156 PolarHBondContact CE1-NZ 3.09Å; H152-K156 VanDerWaalsContact CE1-NZ 3.34Å; H152-K156 WeakPolarHBondContact NE2-CE 3.44Å; H152-K156 PolarHBondContact NE2-NZ 3.41Å; H152-L170 HydrophobicContact CB-CD2 4.44Å
153	L	80.1	Confident	87.9	Confident	106 Å²	106	63.4 Å²	63.4	56%	0.555	33%	0.326	S	S	*	.	H	α-helix	trans	-64.7	-36.1	175	-68.9	173	0	0	0	112.2	D149 N150 S155 K156	D149-L153 WeakPolarHBondContact O-CG 3.42Å; D149-L153 PolarHBondContact O-N 3.5Å; N150-L153 WeakPolarHBondContact O-CB 3.44Å; N150-L153 PolarHBondContact O-N 3.47Å; N150-L153 VanDerWaalsContact O-N 3.16Å; L153-S155 PolarHBondContact O-N 3.2Å; L153-K156 PolarHBondContact O-N 2.87Å
154	W	88.5	Confident	88.2	Confident	32 Å²	32	61.9 Å²	61.9	12%	0.121	31%	0.31	C	S	.	.	H	α-helix	trans	-70.4	-30.8	-179.6	-64.1	-4.3	0	0	0	113	M118 L121 R122 N150 T151 H152 K156 S157 T162 R163	M118-W154 HydrophobicContact CB-CH2 3.73Å; M118-W154 HydrophobicContact CG-CH2 3.8Å; M118-W154 HydrophobicContact SD-CH2 4.24Å; L121-W154 HydrophobicContact CB-CZ3 4.4Å; L121-W154 HydrophobicContact CD1-CZ3 4.47Å; R122-W154 HydrophobicContact CG-CE3 4.23Å; R122-W154 HydrophobicContact CG-CZ3 4.26Å; N150-W154 HydrophobicContact CB-CZ2 4.32Å; N150-W154 VanDerWaalsContact O-CD1 3.27Å; N150-W154 PolarHBondContact O-N 3.36Å; T151-W154 PolarHBondContact O-N 3.06Å; H152-W154 VanDerWaalsContact C-N 3.31Å; H152-W154 PolarHBondContact O-N 3.06Å; W154-K156 PolarHBondContact O-N 2.97Å; W154-K156 VanDerWaalsContact O-N 3.12Å; W154-S157 WeakPolarHBondContact O-CB 3.31Å; W154-S157 PolarHBondContact O-N 3.25Å; W154-T162 HydrophobicContact CB-CG2 3.99Å; W154-T162 HydrophobicContact CG-CG2 3.99Å; W154-R163 VanDerWaalsContact O-CA 3.29Å; W154-R163 WeakPolarHBondContact O-CA 3.21Å
155	S	85.4	Confident	88.3	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.007	31%	0.31	C	S	.	.	H	α-helix	trans	-61.6	-19.8	176	74.6	0	0	0	0	112.7	T151 H152 L153 R163 H195	T151-S155 PolarHBondContact O-N 3.21Å; H152-S155 PolarHBondContact O-N 3.37Å; H152-S155 PolarHBondContact O-OG 3.3Å; L153-S155 PolarHBondContact O-N 3.2Å; S155-R163 WeakPolarHBondContact O-CD 3.46Å; S155-R163 WeakPolarHBondContact O-CG 3.2Å; S155-H195 PolarHBondContact O-NE2 3.2Å
156	K	89.9	Confident	88.5	Confident	141 Å²	141	60.9 Å²	60.9	61%	0.613	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	2.7	176.7	-58.5	-177.1	-174.7	179.6	0	113.6	H152 L153 W154	H152-K156 PolarHBondContact CE1-NZ 3.09Å; H152-K156 VanDerWaalsContact CE1-NZ 3.34Å; H152-K156 WeakPolarHBondContact NE2-CE 3.44Å; H152-K156 PolarHBondContact NE2-NZ 3.41Å; L153-K156 PolarHBondContact O-N 2.87Å; W154-K156 PolarHBondContact O-N 2.97Å; W154-K156 VanDerWaalsContact O-N 3.12Å
157	S	92.2	Very high	88.9	Confident	34 Å²	34	54.2 Å²	54.2	24%	0.238	27%	0.274	C	S	.	.			trans	-67.3	142.7	-177.8	-175.1	0	0	0	0	112.4	W154 D159 R163	W154-S157 WeakPolarHBondContact O-CB 3.31Å; W154-S157 PolarHBondContact O-N 3.25Å; S157-D159 VanDerWaalsContact C-N 3.32Å; S157-D159 PolarHBondContact OG-N 2.79Å; S157-R163 WeakPolarHBondContact O-CD 3.12Å; S157-R163 PolarHBondContact O-NH1 3.33Å
158	K	92.5	Very high	89.5	Confident	204 Å²	204	52.6 Å²	52.6	89%	0.887	26%	0.263	S	S	*	.	S	Bend	trans	-69	-32.9	172.4	-66.2	-176.1	-179.9	179.3	0	111.9	T160 R163	K158-T160 PolarHBondContact O-N 3.34Å; K158-R163 PolarHBondContact O-NH1 3.38Å; K158-R163 VanDerWaalsContact O-NH1 3.09Å
159	D	94.8	Very high	90.2	Very high	75 Å²	75	50.5 Å²	50.5	40%	0.401	25%	0.252	S	S	.	.	S	Bend	trans	-70.8	121.4	177.3	169.8	52.6	0	0	0	110.8	S157 I161 T162 R163	S157-D159 VanDerWaalsContact C-N 3.32Å; S157-D159 PolarHBondContact OG-N 2.79Å; D159-I161 VanDerWaalsContact C-N 3.25Å; D159-I161 PolarHBondContact O-N 2.77Å; D159-I161 WeakPolarHBondContact OD2-CB 3.01Å; D159-I161 PolarHBondContact OD2-N 3.5Å; D159-T162 PolarHBondContact O-N 2.8Å; D159-T162 VanDerWaalsContact OD2-CB 3.29Å; D159-T162 WeakPolarHBondContact OD2-CB 3.21Å; D159-T162 PolarHBondContact OD2-N 2.92Å; D159-T162 PolarHBondContact OD2-OG1 3.46Å; D159-R163 WeakPolarHBondContact O-CB 3.24Å; D159-R163 PolarHBondContact O-N 2.98Å
160	T	95.5	Very high	91.3	Very high	65 Å²	65	44.2 Å²	44.2	40%	0.399	22%	0.218	S	C	.	.	H	α-helix	trans	-61.4	-33	-176.3	-55.4	0	0	0	0	112.4	K158 H164 A200 I203	K158-T160 PolarHBondContact O-N 3.34Å; T160-H164 VanDerWaalsContact O-CB 3.23Å; T160-H164 WeakPolarHBondContact O-CB 3.48Å; T160-H164 PolarHBondContact O-N 3.22Å; T160-A200 HydrophobicContact CG2-CB 3.96Å; T160-I203 HydrophobicContact CG2-CD1 4.15Å
161	I	96.1	Very high	92.2	Very high	53 Å²	53	40.9 Å²	40.9	27%	0.272	20%	0.201	S	C	.	.	H	α-helix	trans	-68.1	-50.9	179.3	-67.1	175.4	0	0	0	110.1	R122 D159 R163 H164 G165	R122-I161 VanDerWaalsContact O-CG2 3.26Å; R122-I161 WeakPolarHBondContact O-CG2 3.48Å; D159-I161 VanDerWaalsContact C-N 3.25Å; D159-I161 PolarHBondContact O-N 2.77Å; D159-I161 WeakPolarHBondContact OD2-CB 3.01Å; D159-I161 PolarHBondContact OD2-N 3.5Å; I161-R163 VanDerWaalsContact C-N 3.34Å; I161-H164 PolarHBondContact O-N 3.11Å; I161-G165 PolarHBondContact O-N 3.08Å
162	T	95.5	Very high	93.1	Very high	31 Å²	31	40.8 Å²	40.8	19%	0.19	20%	0.2	C	C	.	.	H	α-helix	trans	-62.3	-43.4	177.7	-57	0	0	0	0	110.9	W154 D159 G165 G166	W154-T162 HydrophobicContact CB-CG2 3.99Å; W154-T162 HydrophobicContact CG-CG2 3.99Å; D159-T162 PolarHBondContact O-N 2.8Å; D159-T162 VanDerWaalsContact OD2-CB 3.29Å; D159-T162 WeakPolarHBondContact OD2-CB 3.21Å; D159-T162 PolarHBondContact OD2-N 2.92Å; D159-T162 PolarHBondContact OD2-OG1 3.46Å; T162-G165 PolarHBondContact O-N 3.41Å; T162-G165 VanDerWaalsContact O-N 3.17Å; T162-G166 PolarHBondContact O-N 3.42Å
163	R	95.8	Very high	93.9	Very high	35 Å²	35	37.8 Å²	37.8	13%	0.132	19%	0.186	C	C	.	.	H	α-helix	trans	-60.3	-48.2	177.2	-169.2	163.6	65.6	-94.2	-2.3	112.3	W154 S155 S157 K158 D159 I161 G165 G166 I167 D198 I203	W154-R163 VanDerWaalsContact O-CA 3.29Å; W154-R163 WeakPolarHBondContact O-CA 3.21Å; S155-R163 WeakPolarHBondContact O-CD 3.46Å; S155-R163 WeakPolarHBondContact O-CG 3.2Å; S157-R163 WeakPolarHBondContact O-CD 3.12Å; S157-R163 PolarHBondContact O-NH1 3.33Å; K158-R163 PolarHBondContact O-NH1 3.38Å; K158-R163 VanDerWaalsContact O-NH1 3.09Å; D159-R163 WeakPolarHBondContact O-CB 3.24Å; D159-R163 PolarHBondContact O-N 2.98Å; I161-R163 VanDerWaalsContact C-N 3.34Å; R163-G165 VanDerWaalsContact C-N 3.31Å; R163-G165 PolarHBondContact O-N 3.19Å; R163-G166 PolarHBondContact O-N 2.84Å; R163-G166 VanDerWaalsContact O-N 3.17Å; R163-I167 WeakPolarHBondContact O-CG1 3.41Å; R163-I167 PolarHBondContact O-N 3.5Å; R163-D198 IonicContact CZ-OD2 3.72Å; R163-D198 IonicContact NE-OD2 3.77Å; R163-D198 PolarHBondContact NE-OD2 3.04Å; R163-D198 IonicContact NH2-OD1 3.32Å; R163-D198 IonicContact NH2-OD2 2.85Å; R163-I203 HydrophobicContact CB-CD1 3.94Å; R163-I203 HydrophobicContact CG-CD1 3.78Å
164	H	97	Very high	94.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.4	-37.2	174.8	178.2	-102.1	0	0	0	112.6	R129 T160 I161 G166 I167 L168 L202 I203 T206	R129-H164 PolarHBondContact NE-ND1 3.04Å; T160-H164 VanDerWaalsContact O-CB 3.23Å; T160-H164 WeakPolarHBondContact O-CB 3.48Å; T160-H164 PolarHBondContact O-N 3.22Å; I161-H164 PolarHBondContact O-N 3.11Å; H164-G166 VanDerWaalsContact C-N 3.35Å; H164-I167 PolarHBondContact O-N 3.44Å; H164-L168 WeakPolarHBondContact CE1-CD1 3.49Å; H164-L168 WeakPolarHBondContact O-CB 3.37Å; H164-L168 WeakPolarHBondContact O-CG 3.49Å; H164-L168 PolarHBondContact O-N 2.9Å; H164-L202 HydrophobicContact CB-CD2 4.45Å; H164-L202 VanDerWaalsContact CD2-CG 3.47Å; H164-L202 WeakPolarHBondContact CD2-CG 3.46Å; H164-L202 WeakPolarHBondContact NE2-CG 3.49Å; H164-I203 HydrophobicContact CB-CD1 4.28Å; H164-I203 HydrophobicContact CB-CG1 3.83Å; H164-T206 PolarHBondContact NE2-OG1 2.81Å
165	G	96.2	Very high	95	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.4	-40.6	172.8	0	0	0	0	0	112.9	L121 I161 T162 R163 G169	L121-G165 WeakPolarHBondContact O-CA 3.36Å; I161-G165 PolarHBondContact O-N 3.08Å; T162-G165 PolarHBondContact O-N 3.41Å; T162-G165 VanDerWaalsContact O-N 3.17Å; R163-G165 VanDerWaalsContact C-N 3.31Å; R163-G165 PolarHBondContact O-N 3.19Å; G165-G169 PolarHBondContact O-N 2.84Å
166	G	95.9	Very high	95.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.6	-49.2	172.7	0	0	0	0	0	112.4	T162 R163 H164 L168 G169 L170	T162-G166 PolarHBondContact O-N 3.42Å; R163-G166 PolarHBondContact O-N 2.84Å; R163-G166 VanDerWaalsContact O-N 3.17Å; H164-G166 VanDerWaalsContact C-N 3.35Å; G166-L168 VanDerWaalsContact C-N 3.35Å; G166-L168 PolarHBondContact O-N 3.09Å; G166-G169 WeakPolarHBondContact O-CA 3.33Å; G166-G169 PolarHBondContact O-N 2.83Å; G166-G169 VanDerWaalsContact O-N 3.07Å; G166-L170 WeakPolarHBondContact O-CG 3.41Å; G166-L170 PolarHBondContact O-N 2.97Å
167	I	97	Very high	95.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.5	-42.7	178.2	-63.1	-63	0	0	0	111.6	R163 H164 G169 L170 S171 L192 H195 I203 T206 A207	R163-I167 WeakPolarHBondContact O-CG1 3.41Å; R163-I167 PolarHBondContact O-N 3.5Å; H164-I167 PolarHBondContact O-N 3.44Å; I167-G169 VanDerWaalsContact C-N 3.31Å; I167-G169 PolarHBondContact O-N 3.27Å; I167-L170 PolarHBondContact O-N 3.02Å; I167-S171 WeakPolarHBondContact O-CB 3.48Å; I167-S171 PolarHBondContact O-N 2.73Å; I167-S171 PolarHBondContact O-OG 2.94Å; I167-L192 HydrophobicContact CD1-CD2 4.29Å; I167-L192 HydrophobicContact CG2-CD2 3.99Å; I167-H195 HydrophobicContact CD1-CB 3.77Å; I167-H195 HydrophobicContact CG1-CB 4.47Å; I167-I203 HydrophobicContact CG1-CG2 3.89Å; I167-T206 HydrophobicContact CG2-CG2 4.02Å; I167-A207 HydrophobicContact CG2-CB 4.23Å
168	L	97.1	Very high	95.6	Very high	10 Å²	10	29 Å²	29	5%	0.052	15%	0.149	C	C	.	.	H	α-helix	trans	-62.8	-35.3	173.4	-84.9	178.3	0	0	0	113.6	L121 R129 K130 S133 H164 G166 A172 T206	L121-L168 HydrophobicContact CD2-CB 4.09Å; R129-L168 HydrophobicContact CB-CD1 3.51Å; K130-L168 HydrophobicContact CG-CD2 4.47Å; S133-L168 PolarHBondContact OG-O 3.29Å; H164-L168 WeakPolarHBondContact CE1-CD1 3.49Å; H164-L168 WeakPolarHBondContact O-CB 3.37Å; H164-L168 WeakPolarHBondContact O-CG 3.49Å; H164-L168 PolarHBondContact O-N 2.9Å; G166-L168 VanDerWaalsContact C-N 3.35Å; G166-L168 PolarHBondContact O-N 3.09Å; L168-A172 WeakPolarHBondContact O-CB 3.49Å; L168-A172 PolarHBondContact O-N 3.35Å; L168-T206 HydrophobicContact CD2-CG2 3.63Å; L168-T206 HydrophobicContact CG-CG2 4.16Å
169	G	96.3	Very high	95.7	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-67.7	-45.8	175.2	0	0	0	0	0	111.7	G165 G166 I167 A172 I173	G165-G169 PolarHBondContact O-N 2.84Å; G166-G169 WeakPolarHBondContact O-CA 3.33Å; G166-G169 PolarHBondContact O-N 2.83Å; G166-G169 VanDerWaalsContact O-N 3.07Å; I167-G169 VanDerWaalsContact C-N 3.31Å; I167-G169 PolarHBondContact O-N 3.27Å; G169-A172 WeakPolarHBondContact O-CB 3.16Å; G169-A172 PolarHBondContact O-N 2.89Å; G169-I173 WeakPolarHBondContact O-CG1 3.25Å; G169-I173 PolarHBondContact O-N 3.23Å; G169-I173 VanDerWaalsContact O-N 3.12Å
170	L	96.5	Very high	95.7	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-62.5	-44.6	175	-66.8	178.7	0	0	0	111.7	H152 G166 I167 A172 I173 V174 I188 V191 L192	H152-L170 HydrophobicContact CB-CD2 4.44Å; G166-L170 WeakPolarHBondContact O-CG 3.41Å; G166-L170 PolarHBondContact O-N 2.97Å; I167-L170 PolarHBondContact O-N 3.02Å; L170-A172 VanDerWaalsContact C-N 3.28Å; L170-A172 PolarHBondContact O-N 3.35Å; L170-I173 HydrophobicContact CD2-CD1 4.41Å; L170-I173 WeakPolarHBondContact O-CB 3.04Å; L170-I173 PolarHBondContact O-N 2.81Å; L170-I173 VanDerWaalsContact O-N 3.12Å; L170-V174 WeakPolarHBondContact O-CG2 3.34Å; L170-V174 PolarHBondContact O-N 3.35Å; L170-I188 HydrophobicContact CB-CG2 3.95Å; L170-I188 HydrophobicContact CD2-CG1 4.28Å; L170-I188 HydrophobicContact CD2-CG2 4.01Å; L170-I188 HydrophobicContact CG-CG2 4.45Å; L170-V191 HydrophobicContact CD1-CB 4.21Å; L170-V191 HydrophobicContact CD1-CG1 3.54Å; L170-L192 HydrophobicContact CB-CD2 4.08Å; L170-L192 HydrophobicContact CB-CG 4.49Å
171	S	96.7	Very high	95.7	Very high	4 Å²	4	23.4 Å²	23.4	3%	0.028	12%	0.12	C	C	.	.	H	α-helix	trans	-59.2	-39.2	173.7	-64.1	0	0	0	0	112.2	I167 I173 V174 D175 S210	I167-S171 WeakPolarHBondContact O-CB 3.48Å; I167-S171 PolarHBondContact O-N 2.73Å; I167-S171 PolarHBondContact O-OG 2.94Å; S171-I173 VanDerWaalsContact C-N 3.31Å; S171-I173 PolarHBondContact O-N 3.3Å; S171-V174 PolarHBondContact O-N 3.13Å; S171-D175 WeakPolarHBondContact O-CB 3.42Å; S171-D175 PolarHBondContact O-N 3.19Å; S171-S210 WeakPolarHBondContact CA-OG 3.2Å; S171-S210 WeakPolarHBondContact CB-OG 3.25Å; S171-S210 WeakPolarHBondContact OG-CB 3.27Å; S171-S210 PolarHBondContact OG-OG 3.48Å
172	A	96.5	Very high	95.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.9	-35.2	176	0	0	0	0	0	112.9	S133 F136 C137 L168 G169 L170 S176	S133-A172 VanDerWaalsContact O-CB 3.26Å; S133-A172 WeakPolarHBondContact O-CB 3.18Å; F136-A172 HydrophobicContact CB-CB 4.09Å; F136-A172 HydrophobicContact CD1-CB 4.22Å; C137-A172 HydrophobicContact CB-CB 3.98Å; L168-A172 WeakPolarHBondContact O-CB 3.49Å; L168-A172 PolarHBondContact O-N 3.35Å; G169-A172 WeakPolarHBondContact O-CB 3.16Å; G169-A172 PolarHBondContact O-N 2.89Å; L170-A172 VanDerWaalsContact C-N 3.28Å; L170-A172 PolarHBondContact O-N 3.35Å; A172-S176 WeakPolarHBondContact O-CB 3.35Å; A172-S176 PolarHBondContact O-N 3.38Å
173	I	95.8	Very high	95.5	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-66.6	-45.2	173.6	-63.3	162.7	0	0	0	110	F140 P147 G169 L170 S171 S176 N177 Y184 I188	F140-I173 HydrophobicContact CD2-CG1 3.85Å; F140-I173 HydrophobicContact CE2-CB 4.45Å; F140-I173 HydrophobicContact CE2-CD1 4.27Å; F140-I173 HydrophobicContact CE2-CG1 3.33Å; F140-I173 HydrophobicContact CZ-CD1 4.26Å; F140-I173 HydrophobicContact CZ-CG1 3.73Å; P147-I173 HydrophobicContact CB-CD1 4.09Å; P147-I173 HydrophobicContact CB-CG2 4.43Å; P147-I173 HydrophobicContact CG-CG2 4.11Å; G169-I173 WeakPolarHBondContact O-CG1 3.25Å; G169-I173 PolarHBondContact O-N 3.23Å; G169-I173 VanDerWaalsContact O-N 3.12Å; L170-I173 HydrophobicContact CD2-CD1 4.41Å; L170-I173 WeakPolarHBondContact O-CB 3.04Å; L170-I173 PolarHBondContact O-N 2.81Å; L170-I173 VanDerWaalsContact O-N 3.12Å; S171-I173 VanDerWaalsContact C-N 3.31Å; S171-I173 PolarHBondContact O-N 3.3Å; I173-S176 PolarHBondContact O-N 2.8Å; I173-S176 PolarHBondContact O-OG 2.9Å; I173-N177 PolarHBondContact O-ND2 3.3Å; I173-Y184 HydrophobicContact CG2-CD2 4.45Å; I173-Y184 HydrophobicContact CG2-CE2 3.88Å; I173-I188 HydrophobicContact CB-CD1 4.24Å; I173-I188 HydrophobicContact CD1-CD1 4.17Å; I173-I188 HydrophobicContact CG2-CD1 3.61Å
174	V	95.9	Very high	95.3	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.012	15%	0.153	C	C	.	.	H	α-helix	trans	-59.2	-51.9	175.9	175.7	0	0	0	0	111.1	L170 S171 S176 N177 L185 I188 L189 L192 F214	L170-V174 WeakPolarHBondContact O-CG2 3.34Å; L170-V174 PolarHBondContact O-N 3.35Å; S171-V174 PolarHBondContact O-N 3.13Å; V174-S176 PolarHBondContact O-N 2.67Å; V174-S176 VanDerWaalsContact O-N 3.15Å; V174-N177 PolarHBondContact O-N 3.04Å; V174-L185 HydrophobicContact CB-CD1 4.23Å; V174-L185 HydrophobicContact CG1-CD1 4.49Å; V174-L185 HydrophobicContact CG2-CD1 3.78Å; V174-I188 HydrophobicContact CG2-CG2 3.77Å; V174-L189 HydrophobicContact CG1-CD2 4.05Å; V174-L189 HydrophobicContact CG2-CD2 4.02Å; V174-L192 HydrophobicContact CG2-CD1 3.69Å; V174-F214 HydrophobicContact CG1-CB 3.79Å; V174-F214 HydrophobicContact CG1-CD2 4.06Å; V174-F214 HydrophobicContact CG1-CG 4.29Å
175	D	95.8	Very high	95.2	Very high	57 Å²	57	28.4 Å²	28.4	31%	0.305	15%	0.153	S	C	.	.	H	α-helix	trans	-65.8	-19.7	-178.4	-62.6	-11	0	0	0	112.4	Q141 S171 N177	Q141-D175 PolarHBondContact NE2-O 3.36Å; S171-D175 WeakPolarHBondContact O-CB 3.42Å; S171-D175 PolarHBondContact O-N 3.19Å; D175-N177 PolarHBondContact O-N 3.27Å
176	S	95.3	Very high	95.2	Very high	12 Å²	12	28.6 Å²	28.6	8%	0.084	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-11.6	174.2	73.6	0	0	0	0	114.1	F140 Q141 A172 I173 V174 P178	F140-S176 WeakPolarHBondContact CB-OG 2.92Å; Q141-S176 WeakPolarHBondContact CG-O 3.42Å; A172-S176 WeakPolarHBondContact O-CB 3.35Å; A172-S176 PolarHBondContact O-N 3.38Å; I173-S176 PolarHBondContact O-N 2.8Å; I173-S176 PolarHBondContact O-OG 2.9Å; V174-S176 PolarHBondContact O-N 2.67Å; V174-S176 VanDerWaalsContact O-N 3.15Å; S176-P178 VanDerWaalsContact C-CD 3.4Å; S176-P178 WeakPolarHBondContact O-CD 3.14Å
177	N	94.8	Very high	95.1	Very high	21 Å²	21	33.4 Å²	33.4	11%	0.112	18%	0.181	C	C	.	.			trans	-122.1	60.4	-176.5	-66.7	-82.7	0	0	0	112	I173 V174 D175 Y179 S180 L185 H218	I173-N177 PolarHBondContact O-ND2 3.3Å; V174-N177 PolarHBondContact O-N 3.04Å; D175-N177 PolarHBondContact O-N 3.27Å; N177-Y179 PolarHBondContact O-N 3.34Å; N177-Y179 VanDerWaalsContact O-N 3.13Å; N177-S180 WeakPolarHBondContact CB-O 3.43Å; N177-L185 HydrophobicContact CB-CD2 4.39Å; N177-H218 PolarHBondContact O-CE1 2.96Å; N177-H218 PolarHBondContact O-NE2 2.85Å
178	P	91.4	Very high	95	Very high	37 Å²	37	34.4 Å²	34.4	24%	0.24	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-11.6	-170.2	26.6	-34.6	0	0	0	115.5	S176 T217	S176-P178 VanDerWaalsContact C-CD 3.4Å; S176-P178 WeakPolarHBondContact O-CD 3.14Å; P178-T217 HydrophobicContact CB-CG2 4.12Å; P178-T217 CarbonylContact O-C 3.59Å; P178-T217 WeakPolarHBondContact O-CB 3.4Å; P178-T217 VanDerWaalsContact O-O 3.08Å; P178-T217 PolarHBondContact O-OG1 3.34Å
179	Y	94.1	Very high	94.9	Very high	161 Å²	161	34 Å²	34	63%	0.631	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-142.7	22.3	-176.5	-51.9	-68.8	0	0	0	112.4	N177 T217 H225	N177-Y179 PolarHBondContact O-N 3.34Å; N177-Y179 VanDerWaalsContact O-N 3.13Å; Y179-T217 WeakPolarHBondContact CD1-O 3.22Å; Y179-T217 WeakPolarHBondContact CE1-O 3.39Å; Y179-H225 PolarHBondContact O-CE1 3.09Å
180	S	94.2	Very high	94.8	Very high	53 Å²	53	35.4 Å²	35.4	37%	0.371	19%	0.19	S	C	.	.			trans	-150.1	139.8	-173.6	56.1	0	0	0	0	109.9	N177 P182 H218	N177-S180 WeakPolarHBondContact CB-O 3.43Å; S180-P182 WeakPolarHBondContact O-CD 3.15Å; S180-H218 PolarHBondContact O-NE2 3.23Å
181	V	95.1	Very high	94.7	Very high	13 Å²	13	36.1 Å²	36.1	8%	0.079	20%	0.195	C	C	.	.			trans	-114.2	86.8	174.8	-176.4	0	0	0	0	108.5	L185 P186 F214 H225 N228 F229	V181-L185 HydrophobicContact CB-CD2 4.38Å; V181-L185 HydrophobicContact CG1-CB 4.23Å; V181-L185 HydrophobicContact CG1-CD2 4.19Å; V181-L185 HydrophobicContact CG2-CD2 4.28Å; V181-P186 HydrophobicContact CG1-CG 4.07Å; V181-F214 HydrophobicContact CG2-CE2 4.28Å; V181-F214 HydrophobicContact CG2-CZ 4.38Å; V181-H225 HydrophobicContact CG2-CB 3.79Å; V181-N228 HydrophobicContact CB-CB 4.19Å; V181-N228 HydrophobicContact CG1-CB 3.68Å; V181-F229 HydrophobicContact CG1-CE2 3.8Å; V181-F229 HydrophobicContact CG1-CZ 3.85Å; V181-F229 HydrophobicContact CG2-CE2 4.23Å; V181-F229 HydrophobicContact CG2-CZ 4.48Å
182	P	94.1	Very high	94.7	Very high	32 Å²	32	36 Å²	36	21%	0.208	19%	0.194	C	C	.	.			trans	-65.4	159	170.7	25.4	-30.6	0	0	0	110.6	S180 Y184 L185 P186	S180-P182 WeakPolarHBondContact O-CD 3.15Å; P182-Y184 HydrophobicContact CB-CD1 4.12Å; P182-Y184 HydrophobicContact CB-CE1 3.6Å; P182-Y184 HydrophobicContact CB-CE2 4.25Å; P182-Y184 HydrophobicContact CG-CD2 4.31Å; P182-Y184 HydrophobicContact CG-CE1 3.85Å; P182-Y184 HydrophobicContact CG-CE2 3.6Å; P182-Y184 WeakPolarHBondContact CG-OH 3.35Å; P182-Y184 PolarHBondContact O-N 2.85Å; P182-L185 HydrophobicContact CG-CB 4.1Å; P182-L185 VanDerWaalsContact O-CB 3.3Å; P182-L185 WeakPolarHBondContact O-CB 3.36Å; P182-L185 PolarHBondContact O-N 2.8Å; P182-P186 WeakPolarHBondContact O-CD 3.25Å
183	S	93.2	Very high	94.6	Very high	109 Å²	109	36.1 Å²	36.1	76%	0.762	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.7	-169.8	59	0	0	0	0	115.2
184	Y	92.7	Very high	94.5	Very high	82 Å²	82	41.7 Å²	41.7	32%	0.322	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-17	177.3	56.7	-104.4	0	0	0	113.5	P147 I173 P182 I188	P147-Y184 HydrophobicContact CG-CE1 4.4Å; P147-Y184 HydrophobicContact CG-CE2 4Å; I173-Y184 HydrophobicContact CG2-CD2 4.45Å; I173-Y184 HydrophobicContact CG2-CE2 3.88Å; P182-Y184 HydrophobicContact CB-CD1 4.12Å; P182-Y184 HydrophobicContact CB-CE1 3.6Å; P182-Y184 HydrophobicContact CB-CE2 4.25Å; P182-Y184 HydrophobicContact CG-CD2 4.31Å; P182-Y184 HydrophobicContact CG-CE1 3.85Å; P182-Y184 HydrophobicContact CG-CE2 3.6Å; P182-Y184 WeakPolarHBondContact CG-OH 3.35Å; P182-Y184 PolarHBondContact O-N 2.85Å; Y184-I188 HydrophobicContact CD2-CD1 3.9Å; Y184-I188 PolarHBondContact O-N 3.41Å
185	L	94.6	Very high	94.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66.4	-40.7	-173.2	-172.3	65.6	0	0	0	113.2	V174 N177 V181 P182 D187 I188 L189 F214	V174-L185 HydrophobicContact CB-CD1 4.23Å; V174-L185 HydrophobicContact CG1-CD1 4.49Å; V174-L185 HydrophobicContact CG2-CD1 3.78Å; N177-L185 HydrophobicContact CB-CD2 4.39Å; V181-L185 HydrophobicContact CB-CD2 4.38Å; V181-L185 HydrophobicContact CG1-CB 4.23Å; V181-L185 HydrophobicContact CG1-CD2 4.19Å; V181-L185 HydrophobicContact CG2-CD2 4.28Å; P182-L185 HydrophobicContact CG-CB 4.1Å; P182-L185 VanDerWaalsContact O-CB 3.3Å; P182-L185 WeakPolarHBondContact O-CB 3.36Å; P182-L185 PolarHBondContact O-N 2.8Å; L185-D187 VanDerWaalsContact C-N 3.33Å; L185-D187 PolarHBondContact O-N 3.38Å; L185-I188 PolarHBondContact O-N 3.46Å; L185-L189 HydrophobicContact CG-CD1 4.06Å; L185-L189 HydrophobicContact CG-CG 4.36Å; L185-L189 WeakPolarHBondContact O-CG 3.13Å; L185-L189 PolarHBondContact O-N 3.23Å; L185-F214 HydrophobicContact CD2-CD2 4.34Å; L185-F214 HydrophobicContact CD2-CE2 3.84Å
186	P	95.4	Very high	94.3	Very high	4 Å²	4	41.2 Å²	41.2	3%	0.026	22%	0.222	C	C	.	.	H	α-helix	trans	-54	-45.4	176.6	-28.6	36.2	0	0	0	113.8	V181 P182 I188 L189 M190 N228 F229	V181-P186 HydrophobicContact CG1-CG 4.07Å; P182-P186 WeakPolarHBondContact O-CD 3.25Å; P186-I188 PolarHBondContact O-N 3.17Å; P186-L189 WeakPolarHBondContact O-CB 3.5Å; P186-L189 PolarHBondContact O-N 2.94Å; P186-M190 WeakPolarHBondContact O-CG 3.46Å; P186-M190 PolarHBondContact O-N 3.44Å; P186-N228 WeakPolarHBondContact CG-O 3.48Å; P186-F229 HydrophobicContact CB-CD1 3.69Å; P186-F229 HydrophobicContact CB-CE1 3.76Å; P186-F229 HydrophobicContact CG-CD1 3.98Å; P186-F229 HydrophobicContact CG-CE1 3.9Å; P186-F229 HydrophobicContact CG-CG 4.47Å; P186-F229 HydrophobicContact CG-CZ 4.32Å
187	D	93.9	Very high	94.1	Very high	102 Å²	102	44.8 Å²	44.8	55%	0.545	25%	0.252	S	S	.	.	H	α-helix	trans	-65.8	-39.1	-179.8	-67.6	-26.3	0	0	0	112	L185 L189 M190 V191 Q233	L185-D187 VanDerWaalsContact C-N 3.33Å; L185-D187 PolarHBondContact O-N 3.38Å; D187-L189 VanDerWaalsContact C-N 3.33Å; D187-L189 PolarHBondContact O-N 3.01Å; D187-M190 WeakPolarHBondContact O-CB 3.3Å; D187-M190 PolarHBondContact O-N 3.34Å; D187-V191 WeakPolarHBondContact O-CG2 3.48Å; D187-V191 PolarHBondContact O-N 3.41Å; D187-V191 VanDerWaalsContact O-N 3.15Å; D187-Q233 PolarHBondContact OD1-NE2 2.91Å
188	I	95.2	Very high	94	Very high	21 Å²	21	45.2 Å²	45.2	11%	0.108	25%	0.254	C	S	.	.	H	α-helix	trans	-62.7	-42.1	174.8	-66.6	176.4	0	0	0	110.8	L170 I173 V174 Y184 L185 P186 M190 V191 L192	L170-I188 HydrophobicContact CB-CG2 3.95Å; L170-I188 HydrophobicContact CD2-CG1 4.28Å; L170-I188 HydrophobicContact CD2-CG2 4.01Å; L170-I188 HydrophobicContact CG-CG2 4.45Å; I173-I188 HydrophobicContact CB-CD1 4.24Å; I173-I188 HydrophobicContact CD1-CD1 4.17Å; I173-I188 HydrophobicContact CG2-CD1 3.61Å; V174-I188 HydrophobicContact CG2-CG2 3.77Å; Y184-I188 HydrophobicContact CD2-CD1 3.9Å; Y184-I188 PolarHBondContact O-N 3.41Å; L185-I188 PolarHBondContact O-N 3.46Å; P186-I188 PolarHBondContact O-N 3.17Å; I188-M190 VanDerWaalsContact C-N 3.31Å; I188-M190 PolarHBondContact O-N 3.16Å; I188-V191 PolarHBondContact O-N 3.39Å; I188-L192 PolarHBondContact O-N 2.79Å
189	L	95.6	Very high	94.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.7	-38.3	177.3	-71	166.8	0	0	0	111.5	V174 L185 P186 D187 V191 L192 C193 L211 F214 F229 L237	V174-L189 HydrophobicContact CG1-CD2 4.05Å; V174-L189 HydrophobicContact CG2-CD2 4.02Å; L185-L189 HydrophobicContact CG-CD1 4.06Å; L185-L189 HydrophobicContact CG-CG 4.36Å; L185-L189 WeakPolarHBondContact O-CG 3.13Å; L185-L189 PolarHBondContact O-N 3.23Å; P186-L189 WeakPolarHBondContact O-CB 3.5Å; P186-L189 PolarHBondContact O-N 2.94Å; D187-L189 VanDerWaalsContact C-N 3.33Å; D187-L189 PolarHBondContact O-N 3.01Å; L189-V191 VanDerWaalsContact C-N 3.34Å; L189-V191 PolarHBondContact O-N 2.9Å; L189-L192 PolarHBondContact O-N 3.26Å; L189-C193 PolarHBondContact O-N 3.49Å; L189-C193 PolarHBondContact O-SG 2.89Å; L189-L211 HydrophobicContact CD2-CD2 3.69Å; L189-F214 HydrophobicContact CD1-CD1 4.16Å; L189-F214 HydrophobicContact CD1-CD2 4.11Å; L189-F214 HydrophobicContact CD1-CE1 3.79Å; L189-F214 HydrophobicContact CD1-CE2 3.75Å; L189-F214 HydrophobicContact CD1-CG 4.32Å; L189-F214 HydrophobicContact CD1-CZ 3.59Å; L189-F214 HydrophobicContact CD2-CB 4.25Å; L189-F214 HydrophobicContact CD2-CD1 4.07Å; L189-F214 HydrophobicContact CD2-CD2 4.14Å; L189-F214 HydrophobicContact CD2-CG 3.87Å; L189-F229 HydrophobicContact CD1-CE1 3.65Å; L189-F229 HydrophobicContact CD1-CZ 3.72Å; L189-L237 HydrophobicContact CB-CD2 4.38Å
190	M	94.9	Very high	94	Very high	30 Å²	30	49 Å²	49	15%	0.148	27%	0.267	C	S	.	.	H	α-helix	trans	-61.2	-43.3	174.5	-64.6	-54.1	97.7	0	0	111.8	P186 D187 I188 L192 C193 D194 Q233 L236 L237	P186-M190 WeakPolarHBondContact O-CG 3.46Å; P186-M190 PolarHBondContact O-N 3.44Å; D187-M190 WeakPolarHBondContact O-CB 3.3Å; D187-M190 PolarHBondContact O-N 3.34Å; I188-M190 VanDerWaalsContact C-N 3.31Å; I188-M190 PolarHBondContact O-N 3.16Å; M190-L192 VanDerWaalsContact C-N 3.31Å; M190-L192 PolarHBondContact O-N 2.78Å; M190-C193 VanDerWaalsContact O-CB 3.29Å; M190-C193 WeakPolarHBondContact O-CB 3.48Å; M190-C193 PolarHBondContact O-N 3.29Å; M190-C193 VanDerWaalsContact O-N 3.12Å; M190-D194 PolarHBondContact O-N 2.82Å; M190-Q233 HydrophobicContact CE-CB 3.85Å; M190-Q233 HydrophobicContact CE-CG 4.14Å; M190-Q233 HydrophobicContact CG-CG 3.87Å; M190-Q233 HydrophobicContact SD-CB 3.84Å; M190-Q233 HydrophobicContact SD-CG 3.64Å; M190-L236 HydrophobicContact CE-CD2 4.45Å; M190-L236 HydrophobicContact SD-CB 4.27Å; M190-L236 HydrophobicContact SD-CD2 3.57Å; M190-L236 VanDerWaalsContact SD-CD2 3.57Å; M190-L236 HydrophobicContact SD-CG 4.47Å; M190-L237 HydrophobicContact CE-CD1 4.13Å; M190-L237 HydrophobicContact CE-CD2 4.22Å; M190-L237 HydrophobicContact CE-CG 3.8Å
191	V	94.6	Very high	94	Very high	18 Å²	18	54.1 Å²	54.1	11%	0.109	29%	0.286	C	S	.	.	H	α-helix	trans	-62.8	-39.5	177	176.9	0	0	0	0	111.1	L170 D187 I188 L189 D194 H195	L170-V191 HydrophobicContact CD1-CB 4.21Å; L170-V191 HydrophobicContact CD1-CG1 3.54Å; D187-V191 WeakPolarHBondContact O-CG2 3.48Å; D187-V191 PolarHBondContact O-N 3.41Å; D187-V191 VanDerWaalsContact O-N 3.15Å; I188-V191 PolarHBondContact O-N 3.39Å; L189-V191 VanDerWaalsContact C-N 3.34Å; L189-V191 PolarHBondContact O-N 2.9Å; V191-D194 PolarHBondContact O-N 3.2Å; V191-H195 PolarHBondContact O-N 3.3Å; V191-H195 PolarHBondContact O-ND1 3.16Å
192	L	95.4	Very high	94	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.7	-39.5	174.2	-69.3	176.4	0	0	0	111.7	I167 L170 V174 I188 L189 M190 D194 H195 T196 A207 L211	I167-L192 HydrophobicContact CD1-CD2 4.29Å; I167-L192 HydrophobicContact CG2-CD2 3.99Å; L170-L192 HydrophobicContact CB-CD2 4.08Å; L170-L192 HydrophobicContact CB-CG 4.49Å; V174-L192 HydrophobicContact CG2-CD1 3.69Å; I188-L192 PolarHBondContact O-N 2.79Å; L189-L192 PolarHBondContact O-N 3.26Å; M190-L192 VanDerWaalsContact C-N 3.31Å; M190-L192 PolarHBondContact O-N 2.78Å; L192-D194 VanDerWaalsContact C-N 3.33Å; L192-D194 PolarHBondContact O-N 2.97Å; L192-H195 PolarHBondContact O-N 2.75Å; L192-H195 VanDerWaalsContact O-N 3.07Å; L192-T196 WeakPolarHBondContact O-CG2 3.37Å; L192-T196 PolarHBondContact O-N 3.11Å; L192-A207 HydrophobicContact CD2-CB 4.39Å; L192-L211 HydrophobicContact CB-CD1 4.36Å; L192-L211 HydrophobicContact CB-CD2 4.07Å; L192-L211 HydrophobicContact CB-CG 4.18Å
193	C	94.8	Very high	94.1	Very high	4 Å²	4	54.1 Å²	54.1	3%	0.027	28%	0.283	C	S	.	.	H	α-helix	trans	-56.2	-46.5	176.3	-71	0	0	0	0	111.6	L189 M190 H195 T196 L236 I240	L189-C193 PolarHBondContact O-N 3.49Å; L189-C193 PolarHBondContact O-SG 2.89Å; M190-C193 VanDerWaalsContact O-CB 3.29Å; M190-C193 WeakPolarHBondContact O-CB 3.48Å; M190-C193 PolarHBondContact O-N 3.29Å; M190-C193 VanDerWaalsContact O-N 3.12Å; C193-H195 PolarHBondContact O-N 3.35Å; C193-T196 WeakPolarHBondContact O-CB 3.27Å; C193-T196 WeakPolarHBondContact O-CG2 3.48Å; C193-T196 PolarHBondContact O-N 3.04Å; C193-T196 VanDerWaalsContact O-N 3.11Å; C193-T196 PolarHBondContact O-OG1 3.33Å; C193-L236 HydrophobicContact CB-CD2 3.61Å; C193-L236 HydrophobicContact CB-CG 4.05Å; C193-I240 HydrophobicContact CB-CD1 3.28Å; C193-I240 WeakPolarHBondContact SG-CD1 3.49Å
194	D	93.6	Very high	94.2	Very high	118 Å²	118	49.7 Å²	49.7	63%	0.631	25%	0.252	S	S	*	.	H	α-helix	trans	-59.1	-29.2	177	-70.7	-18.1	0	0	0	113.2	M190 V191 L192	M190-D194 PolarHBondContact O-N 2.82Å; V191-D194 PolarHBondContact O-N 3.2Å; L192-D194 VanDerWaalsContact C-N 3.33Å; L192-D194 PolarHBondContact O-N 2.97Å
195	H	94	Very high	94.3	Very high	26 Å²	26	48.3 Å²	48.3	12%	0.12	26%	0.255	C	S	.	.	H	α-helix	trans	-91.6	-3.1	-178.2	-71.4	83.4	0	0	0	114	S155 I167 V191 L192 C193 A197 D198 I203 S204 A207	S155-H195 PolarHBondContact O-NE2 3.2Å; I167-H195 HydrophobicContact CD1-CB 3.77Å; I167-H195 HydrophobicContact CG1-CB 4.47Å; V191-H195 PolarHBondContact O-N 3.3Å; V191-H195 PolarHBondContact O-ND1 3.16Å; L192-H195 PolarHBondContact O-N 2.75Å; L192-H195 VanDerWaalsContact O-N 3.07Å; C193-H195 PolarHBondContact O-N 3.35Å; H195-A197 PolarHBondContact O-N 3.19Å; H195-D198 IonicContact CD2-OD2 3.47Å; H195-D198 WeakPolarHBondContact O-CB 3.35Å; H195-D198 PolarHBondContact O-N 3.04Å; H195-D198 VanDerWaalsContact O-N 3.13Å; H195-I203 HydrophobicContact CB-CG2 4.09Å; H195-S204 VanDerWaalsContact O-CA 3.29Å; H195-S204 WeakPolarHBondContact O-CA 3.14Å; H195-A207 HydrophobicContact CB-CB 4.12Å
196	T	93.3	Very high	94.4	Very high	22 Å²	22	49.1 Å²	49.1	14%	0.135	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-21.5	175.6	61.3	0	0	0	0	113.3	L192 C193 S204 A207 K208 L211 I240	L192-T196 WeakPolarHBondContact O-CG2 3.37Å; L192-T196 PolarHBondContact O-N 3.11Å; C193-T196 WeakPolarHBondContact O-CB 3.27Å; C193-T196 WeakPolarHBondContact O-CG2 3.48Å; C193-T196 PolarHBondContact O-N 3.04Å; C193-T196 VanDerWaalsContact O-N 3.11Å; C193-T196 PolarHBondContact O-OG1 3.33Å; T196-S204 VanDerWaalsContact O-CB 3.24Å; T196-S204 WeakPolarHBondContact O-CB 3.4Å; T196-A207 HydrophobicContact CG2-CB 4.35Å; T196-K208 HydrophobicContact CG2-CG 3.94Å; T196-K208 WeakPolarHBondContact O-CE 3.48Å; T196-L211 HydrophobicContact CG2-CD1 3.45Å; T196-L211 VanDerWaalsContact CG2-CD1 3.45Å; T196-I240 HydrophobicContact CG2-CD1 4.37Å; T196-I240 HydrophobicContact CG2-CG2 4.01Å
197	A	91.3	Very high	94.4	Very high	88 Å²	88	48.9 Å²	48.9	73%	0.727	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	16.7	175.8	0	0	0	0	0	113.4	H195 R199	H195-A197 PolarHBondContact O-N 3.19Å; A197-R199 PolarHBondContact O-N 3.05Å
198	D	92.7	Very high	94.4	Very high	29 Å²	29	49.1 Å²	49.1	16%	0.155	25%	0.254	C	S	.	.			trans	-58	138	176.4	-167.5	-51.5	0	0	0	110.7	R163 H195 A200 I203 S204	R163-D198 IonicContact CZ-OD2 3.72Å; R163-D198 IonicContact NE-OD2 3.77Å; R163-D198 PolarHBondContact NE-OD2 3.04Å; R163-D198 IonicContact NH2-OD1 3.32Å; R163-D198 IonicContact NH2-OD2 2.85Å; H195-D198 IonicContact CD2-OD2 3.47Å; H195-D198 WeakPolarHBondContact O-CB 3.35Å; H195-D198 PolarHBondContact O-N 3.04Å; H195-D198 VanDerWaalsContact O-N 3.13Å; D198-A200 PolarHBondContact O-N 3.06Å; D198-A200 WeakPolarHBondContact OD1-CB 3.24Å; D198-A200 PolarHBondContact OD1-N 3.02Å; D198-I203 HydrophobicContact CB-CB 4.05Å; D198-I203 HydrophobicContact CB-CG2 3.68Å; D198-S204 PolarHBondContact O-OG 3.23Å
199	R	92.7	Very high	94.4	Very high	255 Å²	255	51.8 Å²	51.8	96%	0.962	28%	0.275	S	S	*	.	S	Bend	trans	-57.1	-32.6	178	-63	-178.3	-177.7	-178.1	0.3	112.3	A197 Q201	A197-R199 PolarHBondContact O-N 3.05Å; R199-Q201 PolarHBondContact O-N 2.89Å
200	A	94	Very high	94.4	Very high	22 Å²	22	52 Å²	52	18%	0.182	28%	0.276	C	S	.	.	S	Bend	trans	-79.9	108.6	174.8	0	0	0	0	0	109.9	T160 D198 L202 I203 S204	T160-A200 HydrophobicContact CG2-CB 3.96Å; D198-A200 PolarHBondContact O-N 3.06Å; D198-A200 WeakPolarHBondContact OD1-CB 3.24Å; D198-A200 PolarHBondContact OD1-N 3.02Å; A200-L202 PolarHBondContact O-N 3.45Å; A200-I203 HydrophobicContact CB-CB 4.37Å; A200-I203 HydrophobicContact CB-CD1 3.98Å; A200-I203 HydrophobicContact CB-CG1 4.22Å; A200-I203 WeakPolarHBondContact O-CB 3.24Å; A200-I203 PolarHBondContact O-N 3.36Å; A200-S204 PolarHBondContact O-N 2.87Å; A200-S204 PolarHBondContact O-OG 3.04Å
201	Q	94	Very high	94.4	Very high	161 Å²	161	50.6 Å²	50.6	75%	0.752	27%	0.269	S	S	*	.	H	α-helix	trans	-51.9	-34.9	-179.6	-171.1	-178.6	7.3	0	0	113.6	R199 I203 S204 S205	R199-Q201 PolarHBondContact O-N 2.89Å; Q201-I203 VanDerWaalsContact C-N 3.3Å; Q201-I203 PolarHBondContact O-N 2.9Å; Q201-S204 WeakPolarHBondContact CA-OG 3.42Å; Q201-S204 PolarHBondContact O-OG 3.4Å; Q201-S205 VanDerWaalsContact O-CB 3.25Å; Q201-S205 WeakPolarHBondContact O-CB 3.01Å; Q201-S205 PolarHBondContact O-N 3.25Å; Q201-S205 PolarHBondContact O-OG 3.44Å
202	L	94.3	Very high	94.3	Very high	46 Å²	46	53 Å²	53	24%	0.241	28%	0.282	C	S	.	.	H	α-helix	trans	-61.3	-38.4	177	-178.2	71	0	0	0	112.2	I126 H164 A200 S205 T206	I126-L202 HydrophobicContact CD1-CD1 4.22Å; I126-L202 HydrophobicContact CD1-CD2 4.02Å; I126-L202 HydrophobicContact CG1-CD2 4Å; I126-L202 HydrophobicContact CG2-CD1 3.98Å; H164-L202 HydrophobicContact CB-CD2 4.45Å; H164-L202 VanDerWaalsContact CD2-CG 3.47Å; H164-L202 WeakPolarHBondContact CD2-CG 3.46Å; H164-L202 WeakPolarHBondContact NE2-CG 3.49Å; A200-L202 PolarHBondContact O-N 3.45Å; L202-S205 PolarHBondContact O-OG 3.05Å; L202-T206 WeakPolarHBondContact O-CB 3.34Å; L202-T206 PolarHBondContact O-N 3.36Å; L202-T206 PolarHBondContact O-OG1 3.25Å
203	I	96.1	Very high	94.3	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-75.4	-50.4	-179.9	-68.8	172.6	0	0	0	110.2	T160 R163 H164 I167 H195 D198 A200 Q201 S205 T206 A207	T160-I203 HydrophobicContact CG2-CD1 4.15Å; R163-I203 HydrophobicContact CB-CD1 3.94Å; R163-I203 HydrophobicContact CG-CD1 3.78Å; H164-I203 HydrophobicContact CB-CD1 4.28Å; H164-I203 HydrophobicContact CB-CG1 3.83Å; I167-I203 HydrophobicContact CG1-CG2 3.89Å; H195-I203 HydrophobicContact CB-CG2 4.09Å; D198-I203 HydrophobicContact CB-CB 4.05Å; D198-I203 HydrophobicContact CB-CG2 3.68Å; A200-I203 HydrophobicContact CB-CB 4.37Å; A200-I203 HydrophobicContact CB-CD1 3.98Å; A200-I203 HydrophobicContact CB-CG1 4.22Å; A200-I203 WeakPolarHBondContact O-CB 3.24Å; A200-I203 PolarHBondContact O-N 3.36Å; Q201-I203 VanDerWaalsContact C-N 3.3Å; Q201-I203 PolarHBondContact O-N 2.9Å; I203-S205 VanDerWaalsContact C-N 3.34Å; I203-S205 PolarHBondContact O-N 3.15Å; I203-T206 PolarHBondContact O-N 2.58Å; I203-T206 VanDerWaalsContact O-N 3.16Å; I203-A207 PolarHBondContact O-N 3.36Å
204	S	94.9	Very high	94.3	Very high	16 Å²	16	56.3 Å²	56.3	11%	0.112	30%	0.296	C	S	.	.	H	α-helix	trans	-62.4	-40.2	-178.9	50	0	0	0	0	112.8	H195 T196 D198 A200 Q201 K208	H195-S204 VanDerWaalsContact O-CA 3.29Å; H195-S204 WeakPolarHBondContact O-CA 3.14Å; T196-S204 VanDerWaalsContact O-CB 3.24Å; T196-S204 WeakPolarHBondContact O-CB 3.4Å; D198-S204 PolarHBondContact O-OG 3.23Å; A200-S204 PolarHBondContact O-N 2.87Å; A200-S204 PolarHBondContact O-OG 3.04Å; Q201-S204 WeakPolarHBondContact CA-OG 3.42Å; Q201-S204 PolarHBondContact O-OG 3.4Å; S204-K208 WeakPolarHBondContact O-CB 3.37Å; S204-K208 VanDerWaalsContact O-CG 3.26Å; S204-K208 WeakPolarHBondContact O-CG 3.25Å; S204-K208 PolarHBondContact O-N 3.5Å
205	S	94.8	Very high	94.3	Very high	52 Å²	52	55 Å²	55	36%	0.364	29%	0.285	S	S	.	.	H	α-helix	trans	-63	-42.7	173.6	55.4	0	0	0	0	112.6	Q201 L202 I203 K208 S209	Q201-S205 VanDerWaalsContact O-CB 3.25Å; Q201-S205 WeakPolarHBondContact O-CB 3.01Å; Q201-S205 PolarHBondContact O-N 3.25Å; Q201-S205 PolarHBondContact O-OG 3.44Å; L202-S205 PolarHBondContact O-OG 3.05Å; I203-S205 VanDerWaalsContact C-N 3.34Å; I203-S205 PolarHBondContact O-N 3.15Å; S205-K208 PolarHBondContact O-N 2.93Å; S205-S209 WeakPolarHBondContact O-CB 3.38Å; S205-S209 PolarHBondContact O-N 3.4Å; S205-S209 PolarHBondContact O-OG 2.94Å; S205-S209 VanDerWaalsContact O-OG 3.09Å
206	T	96.3	Very high	94.2	Very high	17 Å²	17	60.7 Å²	60.7	10%	0.104	31%	0.306	C	S	.	.	H	α-helix	trans	-63.9	-46.5	178.6	-58.5	0	0	0	0	111.6	H164 I167 L168 L202 I203 S209 S210	H164-T206 PolarHBondContact NE2-OG1 2.81Å; I167-T206 HydrophobicContact CG2-CG2 4.02Å; L168-T206 HydrophobicContact CD2-CG2 3.63Å; L168-T206 HydrophobicContact CG-CG2 4.16Å; L202-T206 WeakPolarHBondContact O-CB 3.34Å; L202-T206 PolarHBondContact O-N 3.36Å; L202-T206 PolarHBondContact O-OG1 3.25Å; I203-T206 PolarHBondContact O-N 2.58Å; I203-T206 VanDerWaalsContact O-N 3.16Å; T206-S209 PolarHBondContact O-N 2.9Å; T206-S210 PolarHBondContact O-N 3.28Å
207	A	95.9	Very high	94.3	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-61	-46.9	177.4	0	0	0	0	0	111.8	I167 L192 H195 T196 I203 S209 S210 L211	I167-A207 HydrophobicContact CG2-CB 4.23Å; L192-A207 HydrophobicContact CD2-CB 4.39Å; H195-A207 HydrophobicContact CB-CB 4.12Å; T196-A207 HydrophobicContact CG2-CB 4.35Å; I203-A207 PolarHBondContact O-N 3.36Å; A207-S209 PolarHBondContact O-N 3.39Å; A207-S210 PolarHBondContact O-N 3.31Å; A207-L211 WeakPolarHBondContact O-CG 3.26Å; A207-L211 PolarHBondContact O-N 2.99Å
208	K	94.5	Very high	94.4	Very high	106 Å²	106	56.1 Å²	56.1	46%	0.461	27%	0.268	S	S	.	.	H	α-helix	trans	-59.9	-45.3	175.9	-73.8	-179.8	-175.2	-174.9	0	112.1	T196 S204 S205 S210 L211 L212	T196-K208 HydrophobicContact CG2-CG 3.94Å; T196-K208 WeakPolarHBondContact O-CE 3.48Å; S204-K208 WeakPolarHBondContact O-CB 3.37Å; S204-K208 VanDerWaalsContact O-CG 3.26Å; S204-K208 WeakPolarHBondContact O-CG 3.25Å; S204-K208 PolarHBondContact O-N 3.5Å; S205-K208 PolarHBondContact O-N 2.93Å; K208-S210 VanDerWaalsContact C-N 3.33Å; K208-S210 PolarHBondContact O-N 3.3Å; K208-L211 PolarHBondContact O-N 2.95Å; K208-L212 WeakPolarHBondContact O-CB 3.27Å; K208-L212 VanDerWaalsContact O-CG 3.29Å; K208-L212 WeakPolarHBondContact O-CG 3.34Å; K208-L212 PolarHBondContact O-N 3.33Å
209	S	94.3	Very high	94.3	Very high	77 Å²	77	58.9 Å²	58.9	54%	0.538	29%	0.286	S	S	.	.	H	α-helix	trans	-60.1	-42.3	178.6	-70	0	0	0	0	112.2	S205 T206 A207 L212 E213	S205-S209 WeakPolarHBondContact O-CB 3.38Å; S205-S209 PolarHBondContact O-N 3.4Å; S205-S209 PolarHBondContact O-OG 2.94Å; S205-S209 VanDerWaalsContact O-OG 3.09Å; T206-S209 PolarHBondContact O-N 2.9Å; A207-S209 PolarHBondContact O-N 3.39Å; S209-L212 PolarHBondContact O-N 2.78Å; S209-E213 WeakPolarHBondContact O-CB 2.94Å; S209-E213 PolarHBondContact O-N 3.41Å
210	S	95.7	Very high	94.2	Very high	4 Å²	4	54 Å²	54	3%	0.028	28%	0.279	C	S	.	.	H	α-helix	trans	-67	-41.6	177.9	-177	0	0	0	0	112.5	S171 T206 A207 K208 L212 E213 F214	S171-S210 WeakPolarHBondContact CA-OG 3.2Å; S171-S210 WeakPolarHBondContact CB-OG 3.25Å; S171-S210 WeakPolarHBondContact OG-CB 3.27Å; S171-S210 PolarHBondContact OG-OG 3.48Å; T206-S210 PolarHBondContact O-N 3.28Å; A207-S210 PolarHBondContact O-N 3.31Å; K208-S210 VanDerWaalsContact C-N 3.33Å; K208-S210 PolarHBondContact O-N 3.3Å; S210-L212 PolarHBondContact O-N 3.04Å; S210-E213 PolarHBondContact O-N 2.8Å; S210-F214 PolarHBondContact O-N 3.02Å
211	L	95.2	Very high	94.2	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-64.4	-38.8	175.7	-68.4	170.5	0	0	0	112.5	L189 L192 T196 A207 K208 E213 F214 K215 L237 I240 L241	L189-L211 HydrophobicContact CD2-CD2 3.69Å; L192-L211 HydrophobicContact CB-CD1 4.36Å; L192-L211 HydrophobicContact CB-CD2 4.07Å; L192-L211 HydrophobicContact CB-CG 4.18Å; T196-L211 HydrophobicContact CG2-CD1 3.45Å; T196-L211 VanDerWaalsContact CG2-CD1 3.45Å; A207-L211 WeakPolarHBondContact O-CG 3.26Å; A207-L211 PolarHBondContact O-N 2.99Å; K208-L211 PolarHBondContact O-N 2.95Å; L211-E213 VanDerWaalsContact C-N 3.35Å; L211-F214 PolarHBondContact O-N 3.5Å; L211-K215 PolarHBondContact O-N 2.94Å; L211-L237 HydrophobicContact CD2-CD2 4.24Å; L211-I240 HydrophobicContact CD1-CG2 3.8Å; L211-L241 HydrophobicContact CB-CD2 4.14Å; L211-L241 WeakPolarHBondContact O-CD2 3.35Å
212	L	93.3	Very high	94	Very high	70 Å²	70	51 Å²	51	37%	0.366	26%	0.264	S	S	.	.	H	α-helix	trans	-65.8	-38.4	174.6	-71.7	172.8	0	0	0	111.8	K208 S209 S210 K215 R216	K208-L212 WeakPolarHBondContact O-CB 3.27Å; K208-L212 VanDerWaalsContact O-CG 3.29Å; K208-L212 WeakPolarHBondContact O-CG 3.34Å; K208-L212 PolarHBondContact O-N 3.33Å; S209-L212 PolarHBondContact O-N 2.78Å; S210-L212 PolarHBondContact O-N 3.04Å; L212-K215 PolarHBondContact O-N 2.93Å; L212-R216 WeakPolarHBondContact O-CB 3.33Å; L212-R216 PolarHBondContact O-N 3.19Å
213	E	94.2	Very high	93.9	Very high	72 Å²	72	56.9 Å²	56.9	34%	0.336	29%	0.288	S	S	.	.	H	α-helix	trans	-68.6	-40.1	176.5	-172.5	62.5	-172.4	0	0	111.9	S209 S210 L211 R216 T217	S209-E213 WeakPolarHBondContact O-CB 2.94Å; S209-E213 PolarHBondContact O-N 3.41Å; S210-E213 PolarHBondContact O-N 2.8Å; L211-E213 VanDerWaalsContact C-N 3.35Å; E213-R216 WeakPolarHBondContact O-CB 3.39Å; E213-R216 PolarHBondContact O-N 3.12Å; E213-R216 IonicContact OE1-CZ 2.85Å; E213-R216 IonicContact OE1-NE 2.83Å; E213-R216 PolarHBondContact OE1-NE 3.08Å; E213-R216 IonicContact OE1-NH2 3.76Å; E213-R216 PolarHBondContact OE1-NH2 3.42Å; E213-R216 IonicContact OE2-CZ 2.67Å; E213-R216 IonicContact OE2-NE 3.9Å; E213-R216 PolarHBondContact OE2-NE 3.31Å; E213-R216 IonicContact OE2-NH2 3.19Å; E213-T217 WeakPolarHBondContact O-CB 3.49Å; E213-T217 VanDerWaalsContact O-CG2 3.3Å; E213-T217 WeakPolarHBondContact O-CG2 3.19Å; E213-T217 PolarHBondContact O-N 2.94Å; E213-T217 PolarHBondContact O-OG1 3.47Å
214	F	95.3	Very high	93.8	Very high	1 Å²	1	63.1 Å²	63.1	0%	0.004	32%	0.317	C	S	.	.	H	α-helix	trans	-55.9	-51.7	169.9	172.2	-99.8	0	0	0	111.3	V174 V181 L185 L189 S210 L211 R216 T217 H218 W222 F229	V174-F214 HydrophobicContact CG1-CB 3.79Å; V174-F214 HydrophobicContact CG1-CD2 4.06Å; V174-F214 HydrophobicContact CG1-CG 4.29Å; V181-F214 HydrophobicContact CG2-CE2 4.28Å; V181-F214 HydrophobicContact CG2-CZ 4.38Å; L185-F214 HydrophobicContact CD2-CD2 4.34Å; L185-F214 HydrophobicContact CD2-CE2 3.84Å; L189-F214 HydrophobicContact CD1-CD1 4.16Å; L189-F214 HydrophobicContact CD1-CD2 4.11Å; L189-F214 HydrophobicContact CD1-CE1 3.79Å; L189-F214 HydrophobicContact CD1-CE2 3.75Å; L189-F214 HydrophobicContact CD1-CG 4.32Å; L189-F214 HydrophobicContact CD1-CZ 3.59Å; L189-F214 HydrophobicContact CD2-CB 4.25Å; L189-F214 HydrophobicContact CD2-CD1 4.07Å; L189-F214 HydrophobicContact CD2-CD2 4.14Å; L189-F214 HydrophobicContact CD2-CG 3.87Å; S210-F214 PolarHBondContact O-N 3.02Å; L211-F214 PolarHBondContact O-N 3.5Å; F214-R216 VanDerWaalsContact C-N 3.3Å; F214-R216 PolarHBondContact O-N 3.34Å; F214-T217 PolarHBondContact O-N 3.17Å; F214-T217 VanDerWaalsContact O-N 3.17Å; F214-T217 PolarHBondContact O-OG1 2.95Å; F214-H218 AromaticContact CD2-CE1 3.36Å; F214-H218 WeakPolarHBondContact CD2-CE1 3.49Å; F214-H218 AromaticContact CD2-CG 3.97Å; F214-H218 AromaticContact CD2-ND1 3.35Å; F214-H218 WeakPolarHBondContact CD2-ND1 3.41Å; F214-H218 AromaticContact CD2-NE2 3.96Å; F214-H218 HydrophobicContact CE2-CB 4.42Å; F214-H218 AromaticContact CE2-CD2 3.61Å; F214-H218 AromaticContact CE2-CE1 3.37Å; F214-H218 WeakPolarHBondContact CE2-CE1 3.34Å; F214-H218 AromaticContact CE2-CG 3.58Å; F214-H218 AromaticContact CE2-ND1 3.43Å; F214-H218 WeakPolarHBondContact CE2-ND1 3.19Å; F214-H218 AromaticContact CE2-NE2 3.48Å; F214-H218 WeakPolarHBondContact CE2-NE2 3.39Å; F214-H218 HydrophobicContact CZ-CB 4.36Å; F214-H218 AromaticContact CZ-CG 3.96Å; F214-H218 WeakPolarHBondContact O-CB 3.24Å; F214-H218 PolarHBondContact O-N 3.08Å; F214-H218 PolarHBondContact O-ND1 3.44Å; F214-W222 HydrophobicContact CE1-CH2 4.21Å; F214-W222 AromaticContact CE1-CZ3 3.77Å; F214-W222 HydrophobicContact CE1-CZ3 3.77Å; F214-W222 AromaticContact CZ-CZ3 3.97Å; F214-W222 HydrophobicContact CZ-CZ3 3.97Å; F214-F229 HydrophobicContact CE1-CZ 4.4Å; F214-F229 HydrophobicContact CZ-CE2 4.42Å; F214-F229 AromaticContact CZ-CZ 3.81Å; F214-F229 HydrophobicContact CZ-CZ 3.81Å
215	K	93.1	Very high	93.7	Very high	91 Å²	91	63.1 Å²	63.1	40%	0.396	32%	0.315	S	S	.	.	H	α-helix	trans	-56.1	-45.5	176.7	-175.1	-168.3	-170.5	178.1	0	111.7	L211 L212 T217 V219 L241	L211-K215 PolarHBondContact O-N 2.94Å; L212-K215 PolarHBondContact O-N 2.93Å; K215-T217 VanDerWaalsContact C-N 3.26Å; K215-T217 PolarHBondContact O-N 3.09Å; K215-V219 WeakPolarHBondContact O-CB 3.5Å; K215-V219 PolarHBondContact O-N 2.85Å; K215-L241 HydrophobicContact CB-CD1 4.04Å; K215-L241 HydrophobicContact CB-CD2 3.84Å; K215-L241 HydrophobicContact CB-CG 4.48Å; K215-L241 HydrophobicContact CD-CB 4.01Å; K215-L241 HydrophobicContact CD-CD1 4.33Å; K215-L241 HydrophobicContact CD-CD2 4.14Å; K215-L241 HydrophobicContact CD-CG 4.38Å; K215-L241 HydrophobicContact CG-CD1 4.11Å; K215-L241 HydrophobicContact CG-CD2 4.38Å; K215-L241 PolarHBondContact NZ-O 2.9Å
216	R	93.1	Very high	93.6	Very high	145 Å²	145	64.2 Å²	64.2	55%	0.547	31%	0.314	S	S	.	.	H	α-helix	trans	-60.7	-37.3	-178.8	-170.2	-167.8	68.7	70.2	-4.1	112	L212 E213 F214	L212-R216 WeakPolarHBondContact O-CB 3.33Å; L212-R216 PolarHBondContact O-N 3.19Å; E213-R216 WeakPolarHBondContact O-CB 3.39Å; E213-R216 PolarHBondContact O-N 3.12Å; E213-R216 IonicContact OE1-CZ 2.85Å; E213-R216 IonicContact OE1-NE 2.83Å; E213-R216 PolarHBondContact OE1-NE 3.08Å; E213-R216 IonicContact OE1-NH2 3.76Å; E213-R216 PolarHBondContact OE1-NH2 3.42Å; E213-R216 IonicContact OE2-CZ 2.67Å; E213-R216 IonicContact OE2-NE 3.9Å; E213-R216 PolarHBondContact OE2-NE 3.31Å; E213-R216 IonicContact OE2-NH2 3.19Å; F214-R216 VanDerWaalsContact C-N 3.3Å; F214-R216 PolarHBondContact O-N 3.34Å
217	T	94	Very high	93.5	Very high	12 Å²	12	70.9 Å²	70.9	7%	0.074	34%	0.344	C	S	.	.	H	α-helix	trans	-88.7	-24.8	-172	54	0	0	0	0	113	P178 Y179 E213 F214 K215	P178-T217 HydrophobicContact CB-CG2 4.12Å; P178-T217 CarbonylContact O-C 3.59Å; P178-T217 WeakPolarHBondContact O-CB 3.4Å; P178-T217 VanDerWaalsContact O-O 3.08Å; P178-T217 PolarHBondContact O-OG1 3.34Å; Y179-T217 WeakPolarHBondContact CD1-O 3.22Å; Y179-T217 WeakPolarHBondContact CE1-O 3.39Å; E213-T217 WeakPolarHBondContact O-CB 3.49Å; E213-T217 VanDerWaalsContact O-CG2 3.3Å; E213-T217 WeakPolarHBondContact O-CG2 3.19Å; E213-T217 PolarHBondContact O-N 2.94Å; E213-T217 PolarHBondContact O-OG1 3.47Å; F214-T217 PolarHBondContact O-N 3.17Å; F214-T217 VanDerWaalsContact O-N 3.17Å; F214-T217 PolarHBondContact O-OG1 2.95Å; K215-T217 VanDerWaalsContact C-N 3.26Å; K215-T217 PolarHBondContact O-N 3.09Å
218	H	93.8	Very high	93.4	Very high	1 Å²	1	74.6 Å²	74.6	1%	0.005	36%	0.364	C	S	.	.	H	α-helix	trans	-102.4	-1	-177.7	-66.5	71.9	0	0	0	115	N177 S180 F214 D220 S221 W222 H225	N177-H218 PolarHBondContact O-CE1 2.96Å; N177-H218 PolarHBondContact O-NE2 2.85Å; S180-H218 PolarHBondContact O-NE2 3.23Å; F214-H218 AromaticContact CD2-CE1 3.36Å; F214-H218 WeakPolarHBondContact CD2-CE1 3.49Å; F214-H218 AromaticContact CD2-CG 3.97Å; F214-H218 AromaticContact CD2-ND1 3.35Å; F214-H218 WeakPolarHBondContact CD2-ND1 3.41Å; F214-H218 AromaticContact CD2-NE2 3.96Å; F214-H218 HydrophobicContact CE2-CB 4.42Å; F214-H218 AromaticContact CE2-CD2 3.61Å; F214-H218 AromaticContact CE2-CE1 3.37Å; F214-H218 WeakPolarHBondContact CE2-CE1 3.34Å; F214-H218 AromaticContact CE2-CG 3.58Å; F214-H218 AromaticContact CE2-ND1 3.43Å; F214-H218 WeakPolarHBondContact CE2-ND1 3.19Å; F214-H218 AromaticContact CE2-NE2 3.48Å; F214-H218 WeakPolarHBondContact CE2-NE2 3.39Å; F214-H218 HydrophobicContact CZ-CB 4.36Å; F214-H218 AromaticContact CZ-CG 3.96Å; F214-H218 WeakPolarHBondContact O-CB 3.24Å; F214-H218 PolarHBondContact O-N 3.08Å; F214-H218 PolarHBondContact O-ND1 3.44Å; H218-D220 VanDerWaalsContact C-N 3.32Å; H218-D220 PolarHBondContact O-N 3.23Å; H218-S221 PolarHBondContact O-N 3.41Å; H218-W222 HydrophobicContact CB-CE3 4.26Å; H218-W222 WeakPolarHBondContact O-CA 3.41Å; H218-W222 PolarHBondContact O-N 3.09Å; H218-W222 VanDerWaalsContact O-N 3.15Å; H218-H225 AromaticContact CD2-CD2 3.57Å; H218-H225 AromaticContact CD2-CG 3.91Å; H218-H225 AromaticContact CD2-NE2 3.68Å
219	V	90.9	Very high	93.5	Very high	88 Å²	88	70.4 Å²	70.4	53%	0.533	35%	0.346	S	S	.	.	S	Bend	trans	-61.7	-37.1	-173.9	65.5	0	0	0	0	113.3	K215 S221 W222	K215-V219 WeakPolarHBondContact O-CB 3.5Å; K215-V219 PolarHBondContact O-N 2.85Å; V219-S221 PolarHBondContact O-N 2.88Å; V219-W222 PolarHBondContact O-N 3.46Å
220	D	91.5	Very high	93.5	Very high	151 Å²	151	70.3 Å²	70.3	81%	0.807	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-35.5	-173.8	-67.3	-24.3	0	0	0	112.4	H218	H218-D220 VanDerWaalsContact C-N 3.32Å; H218-D220 PolarHBondContact O-N 3.23Å
221	S	92.3	Very high	93.4	Very high	51 Å²	51	76.7 Å²	76.7	36%	0.357	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	23.5	-179.7	-67.9	0	0	0	0	112.7	H218 V219 K223 E224 H225	H218-S221 PolarHBondContact O-N 3.41Å; V219-S221 PolarHBondContact O-N 2.88Å; S221-K223 VanDerWaalsContact C-N 3.27Å; S221-K223 PolarHBondContact O-N 3.12Å; S221-K223 VanDerWaalsContact O-N 3.15Å; S221-E224 PolarHBondContact O-N 2.95Å; S221-H225 WeakPolarHBondContact CB-NE2 3.32Å; S221-H225 PolarHBondContact O-CD2 3.48Å; S221-H225 VanDerWaalsContact O-CD2 3.22Å; S221-H225 PolarHBondContact O-N 3.24Å; S221-H225 VanDerWaalsContact O-N 3.11Å
222	W	91.5	Very high	93.4	Very high	71 Å²	71	83.2 Å²	83.2	27%	0.269	41%	0.411	S	S	.	.	H	α-helix	trans	-57	-36.5	-171.5	-175.3	-104.1	0	0	0	113.8	F214 H218 V219 E224 H225 E226 F229 L234 L237	F214-W222 HydrophobicContact CE1-CH2 4.21Å; F214-W222 AromaticContact CE1-CZ3 3.77Å; F214-W222 HydrophobicContact CE1-CZ3 3.77Å; F214-W222 AromaticContact CZ-CZ3 3.97Å; F214-W222 HydrophobicContact CZ-CZ3 3.97Å; H218-W222 HydrophobicContact CB-CE3 4.26Å; H218-W222 WeakPolarHBondContact O-CA 3.41Å; H218-W222 PolarHBondContact O-N 3.09Å; H218-W222 VanDerWaalsContact O-N 3.15Å; V219-W222 PolarHBondContact O-N 3.46Å; W222-E224 PolarHBondContact O-N 3.08Å; W222-H225 HydrophobicContact CE3-CB 4.25Å; W222-H225 PolarHBondContact O-N 2.74Å; W222-H225 VanDerWaalsContact O-N 3.15Å; W222-E226 HydrophobicContact CZ2-CB 4.23Å; W222-E226 PolarHBondContact NE1-OE2 2.9Å; W222-E226 VanDerWaalsContact NE1-OE2 3.16Å; W222-E226 WeakPolarHBondContact O-CB 3.26Å; W222-E226 WeakPolarHBondContact O-CG 3.45Å; W222-E226 PolarHBondContact O-N 3.2Å; W222-F229 HydrophobicContact CH2-CE2 4.27Å; W222-L234 HydrophobicContact CH2-CD2 4.31Å; W222-L234 HydrophobicContact CZ2-CD2 3.72Å; W222-L237 HydrophobicContact CH2-CD1 4.49Å
223	K	91.8	Very high	93.5	Very high	169 Å²	169	80.9 Å²	80.9	74%	0.735	40%	0.398	S	S	*	.	H	α-helix	trans	-60.3	-28.6	178.1	-68.8	-172.7	178.7	-177.5	0	114.2	S221 Q227	S221-K223 VanDerWaalsContact C-N 3.27Å; S221-K223 PolarHBondContact O-N 3.12Å; S221-K223 VanDerWaalsContact O-N 3.15Å; K223-Q227 PolarHBondContact O-NE2 3.42Å
224	E	93.3	Very high	93.4	Very high	131 Å²	131	79.4 Å²	79.4	61%	0.612	39%	0.392	S	S	*	.	H	α-helix	trans	-86.2	-41.5	175.6	-64.3	176.5	-174.7	0	0	109.9	S221 W222 Q227 N228	S221-E224 PolarHBondContact O-N 2.95Å; W222-E224 PolarHBondContact O-N 3.08Å; E224-Q227 WeakPolarHBondContact O-CB 3.49Å; E224-Q227 PolarHBondContact O-N 3.45Å; E224-N228 PolarHBondContact O-ND2 2.9Å
225	H	93	Very high	93.2	Very high	16 Å²	16	81.9 Å²	81.9	7%	0.074	41%	0.413	C	S	.	.	H	α-helix	trans	-65.7	-39.5	-179	-66.3	-38.6	0	0	0	113.2	Y179 V181 H218 S221 W222 Q227 N228 F229	Y179-H225 PolarHBondContact O-CE1 3.09Å; V181-H225 HydrophobicContact CG2-CB 3.79Å; H218-H225 AromaticContact CD2-CD2 3.57Å; H218-H225 AromaticContact CD2-CG 3.91Å; H218-H225 AromaticContact CD2-NE2 3.68Å; S221-H225 WeakPolarHBondContact CB-NE2 3.32Å; S221-H225 PolarHBondContact O-CD2 3.48Å; S221-H225 VanDerWaalsContact O-CD2 3.22Å; S221-H225 PolarHBondContact O-N 3.24Å; S221-H225 VanDerWaalsContact O-N 3.11Å; W222-H225 HydrophobicContact CE3-CB 4.25Å; W222-H225 PolarHBondContact O-N 2.74Å; W222-H225 VanDerWaalsContact O-N 3.15Å; H225-Q227 PolarHBondContact O-N 3.42Å; H225-Q227 VanDerWaalsContact O-N 3.14Å; H225-N228 WeakPolarHBondContact O-CB 3.24Å; H225-N228 PolarHBondContact O-N 2.78Å; H225-N228 PolarHBondContact O-ND2 2.65Å; H225-N228 VanDerWaalsContact O-ND2 3.14Å; H225-F229 VanDerWaalsContact O-CD2 3.26Å; H225-F229 WeakPolarHBondContact O-CD2 3.49Å; H225-F229 WeakPolarHBondContact O-CE2 3.37Å
226	E	93	Very high	93.1	Very high	74 Å²	74	80.4 Å²	80.4	35%	0.346	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-60.3	-25.5	-178.3	71.6	-173.1	175.7	0	0	113.1	W222 N228 F229 L234	W222-E226 HydrophobicContact CZ2-CB 4.23Å; W222-E226 PolarHBondContact NE1-OE2 2.9Å; W222-E226 VanDerWaalsContact NE1-OE2 3.16Å; W222-E226 WeakPolarHBondContact O-CB 3.26Å; W222-E226 WeakPolarHBondContact O-CG 3.45Å; W222-E226 PolarHBondContact O-N 3.2Å; E226-N228 PolarHBondContact O-N 3.48Å; E226-F229 PolarHBondContact O-N 2.99Å; E226-F229 VanDerWaalsContact O-N 3.09Å; E226-L234 HydrophobicContact CB-CD1 4.39Å; E226-L234 HydrophobicContact CB-CD2 4Å
227	Q	94.2	Very high	93	Very high	157 Å²	157	73.6 Å²	73.6	73%	0.734	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-66.8	-15.6	176.9	-58.7	174.9	20.7	0	0	113.4	K223 E224 H225 F229	K223-Q227 PolarHBondContact O-NE2 3.42Å; E224-Q227 WeakPolarHBondContact O-CB 3.49Å; E224-Q227 PolarHBondContact O-N 3.45Å; H225-Q227 PolarHBondContact O-N 3.42Å; H225-Q227 VanDerWaalsContact O-N 3.14Å; Q227-F229 VanDerWaalsContact C-N 3.3Å
228	N	94.3	Very high	92.7	Very high	79 Å²	79	75.3 Å²	75.3	42%	0.422	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-87.2	-1.9	176.6	-61.3	-81.4	0	0	0	112.7	V181 P186 E224 H225 E226	V181-N228 HydrophobicContact CB-CB 4.19Å; V181-N228 HydrophobicContact CG1-CB 3.68Å; P186-N228 WeakPolarHBondContact CG-O 3.48Å; E224-N228 PolarHBondContact O-ND2 2.9Å; H225-N228 WeakPolarHBondContact O-CB 3.24Å; H225-N228 PolarHBondContact O-N 2.78Å; H225-N228 PolarHBondContact O-ND2 2.65Å; H225-N228 VanDerWaalsContact O-ND2 3.14Å; E226-N228 PolarHBondContact O-N 3.48Å
229	F	95.4	Very high	92.2	Very high	18 Å²	18	80.7 Å²	80.7	8%	0.079	43%	0.428	C	S	.	.	S	Bend	trans	-111.7	153.6	-177.8	-63.6	-93.4	0	0	0	111	V181 P186 L189 F214 W222 H225 E226 Q227 Q233 L234 L237	V181-F229 HydrophobicContact CG1-CE2 3.8Å; V181-F229 HydrophobicContact CG1-CZ 3.85Å; V181-F229 HydrophobicContact CG2-CE2 4.23Å; V181-F229 HydrophobicContact CG2-CZ 4.48Å; P186-F229 HydrophobicContact CB-CD1 3.69Å; P186-F229 HydrophobicContact CB-CE1 3.76Å; P186-F229 HydrophobicContact CG-CD1 3.98Å; P186-F229 HydrophobicContact CG-CE1 3.9Å; P186-F229 HydrophobicContact CG-CG 4.47Å; P186-F229 HydrophobicContact CG-CZ 4.32Å; L189-F229 HydrophobicContact CD1-CE1 3.65Å; L189-F229 HydrophobicContact CD1-CZ 3.72Å; F214-F229 HydrophobicContact CE1-CZ 4.4Å; F214-F229 HydrophobicContact CZ-CE2 4.42Å; F214-F229 AromaticContact CZ-CZ 3.81Å; F214-F229 HydrophobicContact CZ-CZ 3.81Å; W222-F229 HydrophobicContact CH2-CE2 4.27Å; H225-F229 VanDerWaalsContact O-CD2 3.26Å; H225-F229 WeakPolarHBondContact O-CD2 3.49Å; H225-F229 WeakPolarHBondContact O-CE2 3.37Å; E226-F229 PolarHBondContact O-N 2.99Å; E226-F229 VanDerWaalsContact O-N 3.09Å; Q227-F229 VanDerWaalsContact C-N 3.3Å; F229-Q233 HydrophobicContact CB-CB 4.25Å; F229-Q233 HydrophobicContact CD1-CB 4.13Å; F229-L234 HydrophobicContact CB-CD1 4.31Å; F229-L234 HydrophobicContact CB-CD2 3.7Å; F229-L234 HydrophobicContact CB-CG 3.64Å; F229-L234 HydrophobicContact CD2-CD2 4.18Å; F229-L234 HydrophobicContact CG-CD2 3.99Å; F229-L234 HydrophobicContact CG-CG 4.44Å; F229-L237 HydrophobicContact CD1-CD1 3.83Å; F229-L237 HydrophobicContact CE1-CD1 3.58Å; F229-L237 HydrophobicContact CZ-CD1 4.2Å
230	T	95.6	Very high	91.7	Very high	74 Å²	74	78.1 Å²	78.1	45%	0.454	41%	0.41	S	S	.	.			trans	-80	160	166	71.4	0	0	0	0	110.8	D232 Q233 L234	T230-D232 PolarHBondContact O-N 3.4Å; T230-Q233 PolarHBondContact O-N 3.46Å; T230-Q233 VanDerWaalsContact O-N 3.08Å; T230-Q233 VanDerWaalsContact OG1-CG 3.25Å; T230-Q233 WeakPolarHBondContact OG1-CG 3.47Å; T230-Q233 PolarHBondContact OG1-N 3.14Å; T230-L234 WeakPolarHBondContact O-CG 3.31Å; T230-L234 PolarHBondContact O-N 3.48Å
231	D	93.8	Very high	90.9	Very high	139 Å²	139	71.7 Å²	71.7	74%	0.743	38%	0.376	S	S	*	.	H	α-helix	trans	-55.7	-39.1	176.7	-66.8	-30.3	0	0	0	112.1	L234 A235	D231-L234 PolarHBondContact O-N 2.78Å; D231-A235 WeakPolarHBondContact O-CB 3.38Å; D231-A235 PolarHBondContact O-N 3.12Å
232	D	93.8	Very high	89.7	Confident	137 Å²	137	75 Å²	75	73%	0.733	39%	0.389	S	S	*	.	H	α-helix	trans	-64.6	-41.9	176.9	-68.1	-30.2	0	0	0	112.1	T230 A235 L236	T230-D232 PolarHBondContact O-N 3.4Å; D232-A235 PolarHBondContact O-N 2.7Å; D232-L236 PolarHBondContact O-N 2.93Å; D232-L236 VanDerWaalsContact O-N 3.1Å
233	Q	94.9	Very high	88.1	Confident	22 Å²	22	75.3 Å²	75.3	10%	0.103	40%	0.401	C	S	.	.	H	α-helix	trans	-66.3	-42.3	178.1	-69.7	172.8	-20.8	0	0	111.1	D187 M190 F229 T230 L236 L237	D187-Q233 PolarHBondContact OD1-NE2 2.91Å; M190-Q233 HydrophobicContact CE-CB 3.85Å; M190-Q233 HydrophobicContact CE-CG 4.14Å; M190-Q233 HydrophobicContact CG-CG 3.87Å; M190-Q233 HydrophobicContact SD-CB 3.84Å; M190-Q233 HydrophobicContact SD-CG 3.64Å; F229-Q233 HydrophobicContact CB-CB 4.25Å; F229-Q233 HydrophobicContact CD1-CB 4.13Å; T230-Q233 PolarHBondContact O-N 3.46Å; T230-Q233 VanDerWaalsContact O-N 3.08Å; T230-Q233 VanDerWaalsContact OG1-CG 3.25Å; T230-Q233 WeakPolarHBondContact OG1-CG 3.47Å; T230-Q233 PolarHBondContact OG1-N 3.14Å; Q233-L236 PolarHBondContact O-N 3.19Å; Q233-L237 WeakPolarHBondContact O-CG 3.46Å; Q233-L237 PolarHBondContact O-N 2.88Å
234	L	93.4	Very high	86.2	Confident	40 Å²	40	69.3 Å²	69.3	21%	0.209	38%	0.38	C	S	.	.	H	α-helix	trans	-62.9	-42.3	176.2	-70.5	172.9	0	0	0	111.6	W222 E226 F229 T230 D231 L236 L237 A238	W222-L234 HydrophobicContact CH2-CD2 4.31Å; W222-L234 HydrophobicContact CZ2-CD2 3.72Å; E226-L234 HydrophobicContact CB-CD1 4.39Å; E226-L234 HydrophobicContact CB-CD2 4Å; F229-L234 HydrophobicContact CB-CD1 4.31Å; F229-L234 HydrophobicContact CB-CD2 3.7Å; F229-L234 HydrophobicContact CB-CG 3.64Å; F229-L234 HydrophobicContact CD2-CD2 4.18Å; F229-L234 HydrophobicContact CG-CD2 3.99Å; F229-L234 HydrophobicContact CG-CG 4.44Å; T230-L234 WeakPolarHBondContact O-CG 3.31Å; T230-L234 PolarHBondContact O-N 3.48Å; D231-L234 PolarHBondContact O-N 2.78Å; L234-L236 VanDerWaalsContact C-N 3.35Å; L234-L236 PolarHBondContact O-N 3.03Å; L234-L237 PolarHBondContact O-N 3.44Å; L234-A238 WeakPolarHBondContact O-CB 3.5Å; L234-A238 PolarHBondContact O-N 3.33Å
235	A	91.5	Very high	84.1	Confident	54 Å²	54	68 Å²	68	45%	0.446	39%	0.385	S	S	.	.	H	α-helix	trans	-61.1	-42.6	176.8	0	0	0	0	0	112	D231 D232 N239	D231-A235 WeakPolarHBondContact O-CB 3.38Å; D231-A235 PolarHBondContact O-N 3.12Å; D232-A235 PolarHBondContact O-N 2.7Å; A235-N239 PolarHBondContact O-N 2.86Å; A235-N239 PolarHBondContact O-ND2 3.13Å
236	L	90.1	Very high	82.1	Confident	60 Å²	60	75.6 Å²	75.6	31%	0.314	41%	0.414	S	S	.	.	H	α-helix	trans	-65.8	-45.5	177.2	-171.1	66.6	0	0	0	112	M190 C193 D232 Q233 L234 A238 N239 I240	M190-L236 HydrophobicContact CE-CD2 4.45Å; M190-L236 HydrophobicContact SD-CB 4.27Å; M190-L236 HydrophobicContact SD-CD2 3.57Å; M190-L236 VanDerWaalsContact SD-CD2 3.57Å; M190-L236 HydrophobicContact SD-CG 4.47Å; C193-L236 HydrophobicContact CB-CD2 3.61Å; C193-L236 HydrophobicContact CB-CG 4.05Å; D232-L236 PolarHBondContact O-N 2.93Å; D232-L236 VanDerWaalsContact O-N 3.1Å; Q233-L236 PolarHBondContact O-N 3.19Å; L234-L236 VanDerWaalsContact C-N 3.35Å; L234-L236 PolarHBondContact O-N 3.03Å; L236-A238 PolarHBondContact O-N 3.34Å; L236-N239 PolarHBondContact O-N 3.04Å; L236-I240 HydrophobicContact CD1-CD1 4.47Å; L236-I240 HydrophobicContact CG-CD1 4.3Å; L236-I240 PolarHBondContact O-N 3.25Å
237	L	90.6	Very high	79.4	Confident	2 Å²	2	80.8 Å²	80.8	1%	0.01	43%	0.432	C	S	.	.	H	α-helix	trans	-60.2	-45.1	177.1	-76.9	170.2	0	0	0	111.5	L189 M190 L211 W222 F229 Q233 L234 N239 I240 L241	L189-L237 HydrophobicContact CB-CD2 4.38Å; M190-L237 HydrophobicContact CE-CD1 4.13Å; M190-L237 HydrophobicContact CE-CD2 4.22Å; M190-L237 HydrophobicContact CE-CG 3.8Å; L211-L237 HydrophobicContact CD2-CD2 4.24Å; W222-L237 HydrophobicContact CH2-CD1 4.49Å; F229-L237 HydrophobicContact CD1-CD1 3.83Å; F229-L237 HydrophobicContact CE1-CD1 3.58Å; F229-L237 HydrophobicContact CZ-CD1 4.2Å; Q233-L237 WeakPolarHBondContact O-CG 3.46Å; Q233-L237 PolarHBondContact O-N 2.88Å; L234-L237 PolarHBondContact O-N 3.44Å; L237-N239 VanDerWaalsContact C-N 3.33Å; L237-N239 PolarHBondContact O-N 3.34Å; L237-I240 PolarHBondContact O-N 3.03Å; L237-L241 HydrophobicContact CB-CD1 4.3Å; L237-L241 VanDerWaalsContact O-CB 3.24Å; L237-L241 WeakPolarHBondContact O-CB 3.37Å; L237-L241 WeakPolarHBondContact O-CG 3.22Å; L237-L241 PolarHBondContact O-N 2.92Å
238	A	87.2	Confident	76.8	Confident	47 Å²	47	83 Å²	83	39%	0.388	46%	0.456	S	S	.	.	H	α-helix	trans	-56.4	-47.5	178.9	0	0	0	0	0	111.5	L234 L236 I240 L241 I242	L234-A238 WeakPolarHBondContact O-CB 3.5Å; L234-A238 PolarHBondContact O-N 3.33Å; L236-A238 PolarHBondContact O-N 3.34Å; A238-I240 VanDerWaalsContact C-N 3.28Å; A238-I240 PolarHBondContact O-N 3.48Å; A238-L241 PolarHBondContact O-N 3.3Å; A238-I242 WeakPolarHBondContact O-CD1 3.33Å; A238-I242 WeakPolarHBondContact O-CG1 3.29Å; A238-I242 PolarHBondContact O-N 3.36Å; A238-I242 VanDerWaalsContact O-N 3.14Å
239	N	83.5	Confident	75.9	Confident	114 Å²	114	83.2 Å²	83.2	61%	0.61	46%	0.457	S	S	*	.	H	α-helix	trans	-58.2	-39.2	179.9	-73.6	-32.7	0	0	0	113	A235 L236 L237	A235-N239 PolarHBondContact O-N 2.86Å; A235-N239 PolarHBondContact O-ND2 3.13Å; L236-N239 PolarHBondContact O-N 3.04Å; L237-N239 VanDerWaalsContact C-N 3.33Å; L237-N239 PolarHBondContact O-N 3.34Å
240	I	80.4	Confident	74.9	Confident	34 Å²	34	86.6 Å²	86.6	17%	0.174	48%	0.477	C	S	.	.	H	α-helix	trans	-81.5	-40.6	-177.1	-67.4	166.7	0	0	0	111.4	C193 T196 L211 L236 L237 A238 I242 S243	C193-I240 HydrophobicContact CB-CD1 3.28Å; C193-I240 WeakPolarHBondContact SG-CD1 3.49Å; T196-I240 HydrophobicContact CG2-CD1 4.37Å; T196-I240 HydrophobicContact CG2-CG2 4.01Å; L211-I240 HydrophobicContact CD1-CG2 3.8Å; L236-I240 HydrophobicContact CD1-CD1 4.47Å; L236-I240 HydrophobicContact CG-CD1 4.3Å; L236-I240 PolarHBondContact O-N 3.25Å; L237-I240 PolarHBondContact O-N 3.03Å; A238-I240 VanDerWaalsContact C-N 3.28Å; A238-I240 PolarHBondContact O-N 3.48Å; I240-I242 VanDerWaalsContact C-N 3.32Å; I240-I242 PolarHBondContact O-N 2.87Å; I240-S243 PolarHBondContact O-N 3.3Å
241	L	74.6	Confident	73.7	Confident	17 Å²	17	87.3 Å²	87.3	9%	0.089	48%	0.478	C	S	.	.	H	α-helix	trans	-77	-14.4	-174.9	-68	-177.9	0	0	0	114	L211 K215 L237 A238	L211-L241 HydrophobicContact CB-CD2 4.14Å; L211-L241 WeakPolarHBondContact O-CD2 3.35Å; K215-L241 HydrophobicContact CB-CD1 4.04Å; K215-L241 HydrophobicContact CB-CD2 3.84Å; K215-L241 HydrophobicContact CB-CG 4.48Å; K215-L241 HydrophobicContact CD-CB 4.01Å; K215-L241 HydrophobicContact CD-CD1 4.33Å; K215-L241 HydrophobicContact CD-CD2 4.14Å; K215-L241 HydrophobicContact CD-CG 4.38Å; K215-L241 HydrophobicContact CG-CD1 4.11Å; K215-L241 HydrophobicContact CG-CD2 4.38Å; K215-L241 PolarHBondContact NZ-O 2.9Å; L237-L241 HydrophobicContact CB-CD1 4.3Å; L237-L241 VanDerWaalsContact O-CB 3.24Å; L237-L241 WeakPolarHBondContact O-CB 3.37Å; L237-L241 WeakPolarHBondContact O-CG 3.22Å; L237-L241 PolarHBondContact O-N 2.92Å; A238-L241 PolarHBondContact O-N 3.3Å
242	I	66.9	Low	72.5	Confident	121 Å²	121	84.2 Å²	84.2	62%	0.621	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-28.2	174.6	-69.7	161.7	0	0	0	111.3	A238 I240 P244	A238-I242 WeakPolarHBondContact O-CD1 3.33Å; A238-I242 WeakPolarHBondContact O-CG1 3.29Å; A238-I242 PolarHBondContact O-N 3.36Å; A238-I242 VanDerWaalsContact O-N 3.14Å; I240-I242 VanDerWaalsContact C-N 3.32Å; I240-I242 PolarHBondContact O-N 2.87Å; I242-P244 WeakPolarHBondContact O-CD 3.29Å
243	S	58.3	Low	71.2	Confident	76 Å²	76	80.9 Å²	80.9	53%	0.531	45%	0.446	S	S	.	.			trans	-74.4	111.4	-174.8	-73.1	0	0	0	0	111.6	I240	I240-S243 PolarHBondContact O-N 3.3Å
244	P	52	Low	69.6	Low	43 Å²	43	84.9 Å²	84.9	28%	0.279	47%	0.469	S	S	.	.			trans	-70.5	145	169.9	-11.6	29.6	0	0	0	109.8	I242 Y246 Y247	I242-P244 WeakPolarHBondContact O-CD 3.29Å; P244-Y246 HydrophobicContact CB-CD1 3.67Å; P244-Y246 HydrophobicContact CB-CD2 3.83Å; P244-Y246 HydrophobicContact CB-CE1 3.13Å; P244-Y246 HydrophobicContact CB-CE2 3.32Å; P244-Y246 HydrophobicContact CB-CG 4Å; P244-Y246 WeakPolarHBondContact CB-OH 3.4Å; P244-Y246 HydrophobicContact CG-CD2 4.41Å; P244-Y246 HydrophobicContact CG-CE1 4.13Å; P244-Y246 HydrophobicContact CG-CE2 3.59Å; P244-Y246 VanDerWaalsContact CG-CZ 3.43Å; P244-Y246 VanDerWaalsContact CG-OH 3.26Å; P244-Y246 WeakPolarHBondContact CG-OH 3.41Å; P244-Y246 PolarHBondContact O-N 2.92Å; P244-Y247 HydrophobicContact CG-CD2 4.37Å; P244-Y247 HydrophobicContact CG-CE2 4.11Å; P244-Y247 PolarHBondContact O-N 2.78Å
245	S	50.6	Low	67.9	Low	104 Å²	104	88.1 Å²	88.1	73%	0.727	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	1.3	-175.5	54.6	0	0	0	0	115.9
246	Y	51	Low	66.1	Low	175 Å²	175	90.7 Å²	90.7	69%	0.686	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	1.2	-177.9	39.6	-100.2	0	0	0	115	P244	P244-Y246 HydrophobicContact CB-CD1 3.67Å; P244-Y246 HydrophobicContact CB-CD2 3.83Å; P244-Y246 HydrophobicContact CB-CE1 3.13Å; P244-Y246 HydrophobicContact CB-CE2 3.32Å; P244-Y246 HydrophobicContact CB-CG 4Å; P244-Y246 WeakPolarHBondContact CB-OH 3.4Å; P244-Y246 HydrophobicContact CG-CD2 4.41Å; P244-Y246 HydrophobicContact CG-CE1 4.13Å; P244-Y246 HydrophobicContact CG-CE2 3.59Å; P244-Y246 VanDerWaalsContact CG-CZ 3.43Å; P244-Y246 VanDerWaalsContact CG-OH 3.26Å; P244-Y246 WeakPolarHBondContact CG-OH 3.41Å; P244-Y246 PolarHBondContact O-N 2.92Å
247	Y	36.3	Very low	64.1	Low	184 Å²	184	93.3 Å²	93.3	72%	0.722	51%	0.505	S	S	*	.			trans	-96.9	99	167.4	-64.8	-83.9	0	0	0	109.8	P244	P244-Y247 HydrophobicContact CG-CD2 4.37Å; P244-Y247 HydrophobicContact CG-CE2 4.11Å; P244-Y247 PolarHBondContact O-N 2.78Å
248	V	37.8	Very low	61.7	Low	202 Å²	202	101.5 Å²	101.5	100%	1.224	55%	0.55	S	S	*	*			trans	-131.3	0	164.3	-178.5	0	0	0	0	107.7

Retrieved 248 of 248 residues in 214.5 ms (Link to these results)

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