A0A077ZEL1_TRITR Loading...

Phosphatidylglycerol lysyltransferase

AlphaFold DB , UniProt , Accession A0A077ZEL1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 701 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	80.2	Confident	87.8	Confident	69 Å²	69	103.3 Å²	103.3	34%	0.34	54%	0.535	S	S	.	.				0	-68.9	0	-70	-170.3	84	0	0	113	Q3 E4 G5 L6 A9 F24 K31	M1-Q3 VanDerWaalsContact C-N 3.33Å; M1-Q3 PolarHBondContact O-N 3.19Å; M1-E4 CarbonylContact O-C 3.51Å; M1-E4 WeakPolarHBondContact O-CA 3.49Å; M1-E4 PolarHBondContact O-N 3.09Å; M1-G5 PolarHBondContact O-N 3.41Å; M1-G5 VanDerWaalsContact O-N 3.13Å; M1-L6 HydrophobicContact CB-CB 4.41Å; M1-L6 HydrophobicContact CE-CB 4.12Å; M1-L6 HydrophobicContact CG-CB 4.4Å; M1-L6 PolarHBondContact O-N 2.8Å; M1-A9 HydrophobicContact CE-CB 3.74Å; M1-A9 HydrophobicContact SD-CB 4.36Å; M1-F24 HydrophobicContact SD-CE1 4.06Å; M1-F24 HydrophobicContact SD-CZ 3.83Å; M1-K31 HydrophobicContact CE-CB 4.35Å; M1-K31 HydrophobicContact SD-CB 4.45Å
2	K	85	Confident	88.1	Confident	204 Å²	204	103.5 Å²	103.5	89%	0.887	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-55	-42.7	-178.3	-74.4	-174.6	179.4	179.4	0	114.2	E4 G5	K2-E4 PolarHBondContact O-N 2.68Å; K2-G5 PolarHBondContact O-N 3.02Å
3	Q	86.8	Confident	88	Confident	194 Å²	194	95.8 Å²	95.8	91%	0.907	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-62.8	-29	176.5	-79.5	176.8	-26.7	0	0	113.4	M1	M1-Q3 VanDerWaalsContact C-N 3.33Å; M1-Q3 PolarHBondContact O-N 3.19Å
4	E	85.6	Confident	87.5	Confident	149 Å²	149	97.7 Å²	97.7	70%	0.696	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-94.6	2.9	-179.6	-61.6	-61.9	151.2	0	0	112.4	M1 K2 L6	M1-E4 CarbonylContact O-C 3.51Å; M1-E4 WeakPolarHBondContact O-CA 3.49Å; M1-E4 PolarHBondContact O-N 3.09Å; K2-E4 PolarHBondContact O-N 2.68Å; E4-L6 HydrophobicContact CB-CD1 3.98Å; E4-L6 HydrophobicContact CB-CG 3.97Å; E4-L6 PolarHBondContact O-N 3.47Å
5	G	86.4	Confident	87.2	Confident	60 Å²	60	95.4 Å²	95.4	62%	0.619	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	15.5	-176.3	0	0	0	0	0	115	M1 K2	M1-G5 PolarHBondContact O-N 3.41Å; M1-G5 VanDerWaalsContact O-N 3.13Å; K2-G5 PolarHBondContact O-N 3.02Å
6	L	87.3	Confident	86.6	Confident	89 Å²	89	92.2 Å²	92.2	47%	0.466	48%	0.48	S	S	.	.			trans	-80.1	123.4	-178	-65.8	171	0	0	0	111.3	M1 E4	M1-L6 HydrophobicContact CB-CB 4.41Å; M1-L6 HydrophobicContact CE-CB 4.12Å; M1-L6 HydrophobicContact CG-CB 4.4Å; M1-L6 PolarHBondContact O-N 2.8Å; E4-L6 HydrophobicContact CB-CD1 3.98Å; E4-L6 HydrophobicContact CB-CG 3.97Å; E4-L6 PolarHBondContact O-N 3.47Å
7	N	87.6	Confident	86.3	Confident	109 Å²	109	88.6 Å²	88.6	58%	0.583	47%	0.472	S	S	*	.	S	Bend	trans	-87.9	-35.3	177.5	-77.1	-31.1	0	0	0	113.3	K31	N7-K31 WeakPolarHBondContact O-CD 3.49Å; N7-K31 PolarHBondContact O-NZ 2.95Å
8	H	90.8	Very high	86.4	Confident	94 Å²	94	83.7 Å²	83.7	44%	0.435	45%	0.445	S	S	.	.	S	Bend	trans	-139	155.4	176.9	-57.8	-91.5	0	0	0	108.6	E30 K31 D33	H8-E30 PolarHBondContact CE1-O 3.36Å; H8-E30 PolarHBondContact ND1-O 3.34Å; H8-K31 WeakPolarHBondContact CA-O 3.31Å; H8-D33 VanDerWaalsContact CB-OD2 3.25Å; H8-D33 WeakPolarHBondContact CB-OD2 3.43Å; H8-D33 IonicContact CG-OD1 2.86Å; H8-D33 IonicContact ND1-OD1 3.35Å
9	A	91.4	Very high	86.4	Confident	20 Å²	20	79.7 Å²	79.7	17%	0.165	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	150.7	177.4	0	0	0	0	0	112.4	M1 K31 V32 D33	M1-A9 HydrophobicContact CE-CB 3.74Å; M1-A9 HydrophobicContact SD-CB 4.36Å; A9-K31 PolarHBondContact N-O 3.33Å; A9-V32 WeakPolarHBondContact O-CA 3.42Å; A9-D33 PolarHBondContact O-N 3.49Å
10	D	93.3	Very high	86.4	Confident	107 Å²	107	80.8 Å²	80.8	57%	0.572	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	130.9	163.2	-61.1	-35.4	0	0	0	109.5	D33 H34	D10-D33 WeakPolarHBondContact OD1-CB 3.31Å; D10-H34 WeakPolarHBondContact CA-O 3.23Å; D10-H34 HydrophobicContact CB-CB 4.48Å; D10-H34 WeakPolarHBondContact OD1-CB 3.46Å; D10-H34 IonicContact OD1-CE1 3.94Å; D10-H34 IonicContact OD1-CG 3Å; D10-H34 PolarHBondContact OD1-N 2.86Å; D10-H34 VanDerWaalsContact OD1-N 3.12Å; D10-H34 IonicContact OD1-ND1 3.92Å; D10-H34 PolarHBondContact OD1-ND1 2.92Å
11	L	91.8	Very high	86.5	Confident	41 Å²	41	77.4 Å²	77.4	22%	0.215	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	117.5	-176.6	-65.5	-178.5	0	0	0	111	A21 F24 V32 H34 L35 V36	L11-A21 HydrophobicContact CB-CB 4.41Å; L11-F24 HydrophobicContact CD1-CB 4.37Å; L11-F24 HydrophobicContact CD1-CD1 3.5Å; L11-F24 HydrophobicContact CD1-CE1 4.15Å; L11-F24 HydrophobicContact CD1-CG 4.22Å; L11-V32 HydrophobicContact CD1-CB 4.45Å; L11-V32 HydrophobicContact CD1-CG1 4.07Å; L11-V32 HydrophobicContact CD1-CG2 3.54Å; L11-V32 HydrophobicContact CG-CG1 4.23Å; L11-V32 HydrophobicContact CG-CG2 4.31Å; L11-H34 PolarHBondContact N-O 2.8Å; L11-L35 HydrophobicContact CB-CD1 3.73Å; L11-L35 HydrophobicContact CD1-CD1 4.48Å; L11-L35 CarbonylContact O-C 3.55Å; L11-L35 WeakPolarHBondContact O-CA 3.44Å; L11-V36 PolarHBondContact O-N 3.43Å
12	L	91.3	Very high	87	Confident	106 Å²	106	74.8 Å²	74.8	56%	0.555	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	119.7	171.2	172.6	64.2	0	0	0	109.4	F14 V36	L12-F14 HydrophobicContact CD1-CE2 4.02Å; L12-F14 HydrophobicContact CD1-CZ 4.06Å; L12-F14 HydrophobicContact CD2-CE2 3.56Å; L12-F14 HydrophobicContact CD2-CZ 3.79Å; L12-F14 HydrophobicContact CG-CD2 4.29Å; L12-F14 HydrophobicContact CG-CE2 3.58Å; L12-F14 HydrophobicContact CG-CZ 4.03Å; L12-V36 WeakPolarHBondContact CA-O 3.46Å; L12-V36 HydrophobicContact CB-CB 4.5Å; L12-V36 HydrophobicContact CD1-CB 3.59Å; L12-V36 HydrophobicContact CD1-CG1 3.45Å; L12-V36 VanDerWaalsContact CD1-CG1 3.45Å
13	G	86.8	Confident	87.2	Confident	3 Å²	3	66.7 Å²	66.7	3%	0.031	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	137.4	177.6	0	0	0	0	0	112.1	A18 V36 N38	G13-A18 WeakPolarHBondContact O-CB 3.1Å; G13-V36 PolarHBondContact N-O 3.11Å; G13-N38 PolarHBondContact O-N 3.17Å
14	F	81.3	Confident	87.4	Confident	123 Å²	123	60.7 Å²	60.7	54%	0.539	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	128.3	172.6	-62.6	-94.7	0	0	0	109.4	L12 D16 G17 N38	L12-F14 HydrophobicContact CD1-CE2 4.02Å; L12-F14 HydrophobicContact CD1-CZ 4.06Å; L12-F14 HydrophobicContact CD2-CE2 3.56Å; L12-F14 HydrophobicContact CD2-CZ 3.79Å; L12-F14 HydrophobicContact CG-CD2 4.29Å; L12-F14 HydrophobicContact CG-CE2 3.58Å; L12-F14 HydrophobicContact CG-CZ 4.03Å; F14-D16 PolarHBondContact O-N 3.33Å; F14-G17 WeakPolarHBondContact O-CA 3.15Å; F14-G17 PolarHBondContact O-N 3.43Å; F14-N38 CarbonylContact C-O 3.57Å; F14-N38 WeakPolarHBondContact CA-O 3.28Å; F14-N38 HydrophobicContact CD1-CB 3.84Å; F14-N38 VanDerWaalsContact CD1-ND2 3.3Å; F14-N38 WeakPolarHBondContact CD1-ND2 3.5Å; F14-N38 HydrophobicContact CE1-CB 4.25Å; F14-N38 VanDerWaalsContact CE1-ND2 3.34Å; F14-N38 WeakPolarHBondContact CE1-ND2 3.4Å; F14-N38 HydrophobicContact CG-CB 4.47Å
15	S	81.9	Confident	87.6	Confident	63 Å²	63	53.7 Å²	53.7	44%	0.441	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	-119.5	179	-172.2	0	0	0	0	111.9	G17 A18 N19 N38 A39	S15-G17 PolarHBondContact O-N 3.35Å; S15-A18 WeakPolarHBondContact O-CA 3.48Å; S15-A18 WeakPolarHBondContact O-CB 3.32Å; S15-A18 PolarHBondContact O-N 3Å; S15-N19 PolarHBondContact O-N 3.13Å; S15-N38 PolarHBondContact N-O 3Å; S15-A39 WeakPolarHBondContact CA-O 3.12Å
16	D	78	Confident	87.7	Confident	44 Å²	44	54.2 Å²	54.2	24%	0.235	29%	0.289	C	S	.	.	H	α-helix	trans	-61.9	-25.4	175.6	-75.6	-21.3	0	0	0	113.4	F14 A18 N19 L20 L82	F14-D16 PolarHBondContact O-N 3.33Å; D16-A18 VanDerWaalsContact C-N 3.28Å; D16-A18 PolarHBondContact O-N 3.45Å; D16-N19 WeakPolarHBondContact O-CB 3.4Å; D16-N19 PolarHBondContact O-N 2.94Å; D16-N19 PolarHBondContact OD1-ND2 3.28Å; D16-N19 VanDerWaalsContact OD1-ND2 3.16Å; D16-L20 WeakPolarHBondContact O-CG 3.36Å; D16-L20 PolarHBondContact O-N 3.48Å; D16-L82 VanDerWaalsContact OD2-CD2 3.23Å; D16-L82 WeakPolarHBondContact OD2-CD2 3.46Å
17	G	82.4	Confident	87.9	Confident	32 Å²	32	55.4 Å²	55.4	33%	0.33	30%	0.296	S	S	.	.	H	α-helix	trans	-64.2	-34.1	169.6	0	0	0	0	0	112.3	F14 S15 N19 L20 A21	F14-G17 WeakPolarHBondContact O-CA 3.15Å; F14-G17 PolarHBondContact O-N 3.43Å; S15-G17 PolarHBondContact O-N 3.35Å; G17-N19 VanDerWaalsContact C-N 3.34Å; G17-L20 PolarHBondContact O-N 2.83Å; G17-A21 VanDerWaalsContact O-CB 3.31Å; G17-A21 WeakPolarHBondContact O-CB 3.49Å; G17-A21 PolarHBondContact O-N 3.09Å
18	A	87.1	Confident	88	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-67.5	-38.6	172.4	0	0	0	0	0	110.7	G13 S15 D16 A21 M22 L37	G13-A18 WeakPolarHBondContact O-CB 3.1Å; S15-A18 WeakPolarHBondContact O-CA 3.48Å; S15-A18 WeakPolarHBondContact O-CB 3.32Å; S15-A18 PolarHBondContact O-N 3Å; D16-A18 VanDerWaalsContact C-N 3.28Å; D16-A18 PolarHBondContact O-N 3.45Å; A18-A21 PolarHBondContact O-N 3.41Å; A18-M22 WeakPolarHBondContact O-CG 3.36Å; A18-M22 PolarHBondContact O-N 3.25Å; A18-L37 HydrophobicContact CB-CB 4.19Å; A18-L37 HydrophobicContact CB-CD2 3.93Å; A18-L37 WeakPolarHBondContact O-CD2 3.23Å
19	N	86.4	Confident	87.9	Confident	8 Å²	8	53.8 Å²	53.8	4%	0.043	29%	0.289	C	S	.	.	H	α-helix	trans	-60.6	-47.9	174.6	-65.3	-18	0	0	0	111.9	S15 D16 G17 A21 M22 V23 N41 I86	S15-N19 PolarHBondContact O-N 3.13Å; D16-N19 WeakPolarHBondContact O-CB 3.4Å; D16-N19 PolarHBondContact O-N 2.94Å; D16-N19 PolarHBondContact OD1-ND2 3.28Å; D16-N19 VanDerWaalsContact OD1-ND2 3.16Å; G17-N19 VanDerWaalsContact C-N 3.34Å; N19-A21 VanDerWaalsContact C-N 3.32Å; N19-A21 PolarHBondContact O-N 3.36Å; N19-M22 HydrophobicContact CB-CE 4.42Å; N19-M22 PolarHBondContact O-N 3.13Å; N19-M22 VanDerWaalsContact OD1-CE 3.31Å; N19-M22 WeakPolarHBondContact OD1-CE 3.45Å; N19-V23 WeakPolarHBondContact O-CG2 3.18Å; N19-V23 PolarHBondContact O-N 3.17Å; N19-V23 VanDerWaalsContact O-N 3.07Å; N19-N41 PolarHBondContact ND2-O 3.14Å; N19-N41 VanDerWaalsContact OD1-C 3.28Å; N19-N41 PolarHBondContact OD1-N 2.92Å; N19-N41 PolarHBondContact OD1-O 3.16Å; N19-I86 HydrophobicContact CB-CD1 3.93Å; N19-I86 HydrophobicContact CB-CG2 3.86Å
20	L	86.4	Confident	87.8	Confident	100 Å²	100	60.1 Å²	60.1	52%	0.524	32%	0.315	S	S	.	.	H	α-helix	trans	-65	-36.2	175.7	-69.2	173.6	0	0	0	112.4	D16 G17 M22 V23 F24	D16-L20 WeakPolarHBondContact O-CG 3.36Å; D16-L20 PolarHBondContact O-N 3.48Å; G17-L20 PolarHBondContact O-N 2.83Å; L20-M22 VanDerWaalsContact C-N 3.34Å; L20-V23 PolarHBondContact O-N 3.48Å; L20-F24 WeakPolarHBondContact O-CB 3.42Å; L20-F24 PolarHBondContact O-N 3.21Å
21	A	89.6	Confident	87.7	Confident	10 Å²	10	58.5 Å²	58.5	8%	0.083	30%	0.303	C	S	.	.	H	α-helix	trans	-64.4	-39.4	176.3	0	0	0	0	0	111.5	L11 G17 A18 N19 F24 A25 L35 L37	L11-A21 HydrophobicContact CB-CB 4.41Å; G17-A21 VanDerWaalsContact O-CB 3.31Å; G17-A21 WeakPolarHBondContact O-CB 3.49Å; G17-A21 PolarHBondContact O-N 3.09Å; A18-A21 PolarHBondContact O-N 3.41Å; N19-A21 VanDerWaalsContact C-N 3.32Å; N19-A21 PolarHBondContact O-N 3.36Å; A21-F24 PolarHBondContact O-N 3.41Å; A21-A25 VanDerWaalsContact O-CB 3.3Å; A21-A25 WeakPolarHBondContact O-CB 3.41Å; A21-A25 PolarHBondContact O-N 2.93Å; A21-L35 HydrophobicContact CB-CD1 3.71Å; A21-L37 HydrophobicContact CB-CD2 4.03Å
22	M	90.2	Very high	87.7	Confident	14 Å²	14	57 Å²	57	7%	0.069	30%	0.295	C	S	.	.	H	α-helix	trans	-62	-45.1	171.6	-69.8	-176.1	-72.1	0	0	111.8	A18 N19 L20 F24 A25 R26 L37 T42 I86 L88 L93 I96	A18-M22 WeakPolarHBondContact O-CG 3.36Å; A18-M22 PolarHBondContact O-N 3.25Å; N19-M22 HydrophobicContact CB-CE 4.42Å; N19-M22 PolarHBondContact O-N 3.13Å; N19-M22 VanDerWaalsContact OD1-CE 3.31Å; N19-M22 WeakPolarHBondContact OD1-CE 3.45Å; L20-M22 VanDerWaalsContact C-N 3.34Å; M22-F24 VanDerWaalsContact C-N 3.32Å; M22-F24 PolarHBondContact O-N 3.12Å; M22-A25 PolarHBondContact O-N 3.2Å; M22-R26 WeakPolarHBondContact O-CB 3.33Å; M22-R26 PolarHBondContact O-N 3.12Å; M22-L37 HydrophobicContact CG-CD1 3.44Å; M22-L37 VanDerWaalsContact CG-CD1 3.44Å; M22-L37 HydrophobicContact CG-CD2 3.87Å; M22-L37 HydrophobicContact CG-CG 4.31Å; M22-L37 HydrophobicContact SD-CD1 3.7Å; M22-T42 HydrophobicContact CE-CG2 3.8Å; M22-T42 HydrophobicContact SD-CG2 4.24Å; M22-I86 HydrophobicContact CE-CD1 4.2Å; M22-L88 HydrophobicContact CB-CD1 3.64Å; M22-L93 HydrophobicContact CB-CD2 4.32Å; M22-L93 HydrophobicContact CG-CD2 4.37Å; M22-L93 HydrophobicContact SD-CD2 3.73Å; M22-I96 HydrophobicContact CB-CD1 4.34Å
23	V	88.6	Confident	87.8	Confident	35 Å²	35	55.5 Å²	55.5	21%	0.212	29%	0.288	C	S	.	.	H	α-helix	trans	-62.6	-42	177.6	174.4	0	0	0	0	110.8	N19 L20 R26 L27 I86 L88	N19-V23 WeakPolarHBondContact O-CG2 3.18Å; N19-V23 PolarHBondContact O-N 3.17Å; N19-V23 VanDerWaalsContact O-N 3.07Å; L20-V23 PolarHBondContact O-N 3.48Å; V23-R26 WeakPolarHBondContact O-CB 3.49Å; V23-R26 PolarHBondContact O-N 3.43Å; V23-L27 HydrophobicContact CG1-CD1 3.91Å; V23-L27 HydrophobicContact CG1-CG 4.45Å; V23-L27 WeakPolarHBondContact O-CG 3.42Å; V23-L27 PolarHBondContact O-N 3.33Å; V23-I86 HydrophobicContact CG2-CB 3.96Å; V23-I86 HydrophobicContact CG2-CD1 4.3Å; V23-I86 HydrophobicContact CG2-CG1 4.47Å; V23-L88 HydrophobicContact CB-CD1 4.42Å; V23-L88 HydrophobicContact CG2-CD1 3.69Å; V23-L88 HydrophobicContact CG2-CD2 4.45Å; V23-L88 HydrophobicContact CG2-CG 3.91Å
24	F	90.6	Very high	88.2	Confident	67 Å²	67	59.9 Å²	59.9	29%	0.294	31%	0.308	S	S	.	.	H	α-helix	trans	-66.7	-45.9	178.9	-170.2	-85.1	0	0	0	111.8	M1 L11 L20 A21 M22 R26 L27 F28 K31 V32	M1-F24 HydrophobicContact SD-CE1 4.06Å; M1-F24 HydrophobicContact SD-CZ 3.83Å; L11-F24 HydrophobicContact CD1-CB 4.37Å; L11-F24 HydrophobicContact CD1-CD1 3.5Å; L11-F24 HydrophobicContact CD1-CE1 4.15Å; L11-F24 HydrophobicContact CD1-CG 4.22Å; L20-F24 WeakPolarHBondContact O-CB 3.42Å; L20-F24 PolarHBondContact O-N 3.21Å; A21-F24 PolarHBondContact O-N 3.41Å; M22-F24 VanDerWaalsContact C-N 3.32Å; M22-F24 PolarHBondContact O-N 3.12Å; F24-R26 PolarHBondContact O-N 3.09Å; F24-L27 PolarHBondContact O-N 3.32Å; F24-F28 HydrophobicContact CD1-CD2 4.44Å; F24-F28 AromaticContact CD2-CD2 3.85Å; F24-F28 HydrophobicContact CD2-CD2 3.85Å; F24-F28 HydrophobicContact CD2-CE2 4.29Å; F24-F28 HydrophobicContact CE1-CB 4.14Å; F24-F28 HydrophobicContact CE1-CD2 4.28Å; F24-F28 AromaticContact CE2-CD2 3.65Å; F24-F28 HydrophobicContact CE2-CD2 3.65Å; F24-F28 HydrophobicContact CE2-CE2 4.08Å; F24-F28 HydrophobicContact CG-CD2 4.26Å; F24-F28 HydrophobicContact CZ-CB 4.33Å; F24-F28 AromaticContact CZ-CD2 3.89Å; F24-F28 HydrophobicContact CZ-CD2 3.89Å; F24-F28 HydrophobicContact CZ-CG 4.38Å; F24-F28 PolarHBondContact O-N 2.88Å; F24-K31 HydrophobicContact CE1-CB 4.29Å; F24-V32 HydrophobicContact CD1-CG2 3.84Å; F24-V32 HydrophobicContact CE1-CG2 4.07Å
25	A	91.4	Very high	88.8	Confident	2 Å²	2	54.1 Å²	54.1	2%	0.017	28%	0.282	C	S	.	.	H	α-helix	trans	-60.8	-33.4	176.3	0	0	0	0	0	111.9	A21 M22 P29 V32 L35 I96	A21-A25 VanDerWaalsContact O-CB 3.3Å; A21-A25 WeakPolarHBondContact O-CB 3.41Å; A21-A25 PolarHBondContact O-N 2.93Å; M22-A25 PolarHBondContact O-N 3.2Å; A25-P29 WeakPolarHBondContact O-CA 3.47Å; A25-V32 HydrophobicContact CB-CB 4.47Å; A25-V32 HydrophobicContact CB-CG1 4.4Å; A25-V32 HydrophobicContact CB-CG2 4.13Å; A25-L35 HydrophobicContact CB-CD1 4.48Å; A25-L35 HydrophobicContact CB-CD2 4.24Å; A25-I96 HydrophobicContact CB-CD1 4.3Å; A25-I96 HydrophobicContact CB-CG1 4.46Å; A25-I96 HydrophobicContact CB-CG2 4.09Å
26	R	88.5	Confident	89.3	Confident	71 Å²	71	53.1 Å²	53.1	27%	0.268	27%	0.273	S	S	.	.	H	α-helix	trans	-69	-44.9	174.1	176.4	63.1	178.9	123.4	-9	113.1	M22 V23 F24 L88 D92	M22-R26 WeakPolarHBondContact O-CB 3.33Å; M22-R26 PolarHBondContact O-N 3.12Å; V23-R26 WeakPolarHBondContact O-CB 3.49Å; V23-R26 PolarHBondContact O-N 3.43Å; F24-R26 PolarHBondContact O-N 3.09Å; R26-L88 HydrophobicContact CB-CD2 3.97Å; R26-L88 HydrophobicContact CG-CD2 3.78Å; R26-D92 HydrophobicContact CG-CB 4.44Å; R26-D92 IonicContact CZ-OD1 2.76Å; R26-D92 IonicContact NE-OD1 3.77Å; R26-D92 PolarHBondContact NE-OD1 2.92Å; R26-D92 IonicContact NH2-OD1 2.72Å; R26-D92 PolarHBondContact NH2-OD1 2.88Å
27	L	89.5	Confident	89.9	Confident	115 Å²	115	51.5 Å²	51.5	60%	0.602	27%	0.265	S	S	*	.	H	α-helix	trans	-76.7	-31.5	-176.9	-70.8	174.2	0	0	0	112.8	V23 F24	V23-L27 HydrophobicContact CG1-CD1 3.91Å; V23-L27 HydrophobicContact CG1-CG 4.45Å; V23-L27 WeakPolarHBondContact O-CG 3.42Å; V23-L27 PolarHBondContact O-N 3.33Å; F24-L27 PolarHBondContact O-N 3.32Å
28	F	91.1	Very high	90	Very high	105 Å²	105	52 Å²	52	46%	0.461	26%	0.26	S	S	.	.			trans	-133.8	62	-175.4	-52.8	-72.4	0	0	0	111	F24 E30 K31	F24-F28 HydrophobicContact CD1-CD2 4.44Å; F24-F28 AromaticContact CD2-CD2 3.85Å; F24-F28 HydrophobicContact CD2-CD2 3.85Å; F24-F28 HydrophobicContact CD2-CE2 4.29Å; F24-F28 HydrophobicContact CE1-CB 4.14Å; F24-F28 HydrophobicContact CE1-CD2 4.28Å; F24-F28 AromaticContact CE2-CD2 3.65Å; F24-F28 HydrophobicContact CE2-CD2 3.65Å; F24-F28 HydrophobicContact CE2-CE2 4.08Å; F24-F28 HydrophobicContact CG-CD2 4.26Å; F24-F28 HydrophobicContact CZ-CB 4.33Å; F24-F28 AromaticContact CZ-CD2 3.89Å; F24-F28 HydrophobicContact CZ-CD2 3.89Å; F24-F28 HydrophobicContact CZ-CG 4.38Å; F24-F28 PolarHBondContact O-N 2.88Å; F28-E30 VanDerWaalsContact C-N 3.27Å; F28-E30 PolarHBondContact O-N 3.35Å; F28-K31 HydrophobicContact CB-CB 3.99Å; F28-K31 HydrophobicContact CB-CG 3.91Å; F28-K31 WeakPolarHBondContact O-CB 3.38Å; F28-K31 PolarHBondContact O-N 3.36Å
29	P	88.2	Confident	89.6	Confident	64 Å²	64	54.7 Å²	54.7	42%	0.416	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-59.5	-39.1	-175.5	23.3	-33.1	0	0	0	112	A25 K31 V32	A25-P29 WeakPolarHBondContact O-CA 3.47Å; P29-K31 PolarHBondContact O-N 3.04Å; P29-V32 PolarHBondContact O-N 2.9Å
30	E	88.8	Confident	89.2	Confident	152 Å²	152	56 Å²	56	71%	0.71	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-63.1	-7.2	176.8	-49.9	-64	159.1	0	0	114	H8 F28	H8-E30 PolarHBondContact CE1-O 3.36Å; H8-E30 PolarHBondContact ND1-O 3.34Å; F28-E30 VanDerWaalsContact C-N 3.27Å; F28-E30 PolarHBondContact O-N 3.35Å
31	K	91.2	Very high	88.8	Confident	74 Å²	74	53.5 Å²	53.5	32%	0.322	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-107.1	-5.8	-176.7	-63.7	-61.1	-172	-169.9	0	113.5	M1 N7 H8 A9 F24 F28 P29	M1-K31 HydrophobicContact CE-CB 4.35Å; M1-K31 HydrophobicContact SD-CB 4.45Å; N7-K31 WeakPolarHBondContact O-CD 3.49Å; N7-K31 PolarHBondContact O-NZ 2.95Å; H8-K31 WeakPolarHBondContact CA-O 3.31Å; A9-K31 PolarHBondContact N-O 3.33Å; F24-K31 HydrophobicContact CE1-CB 4.29Å; F28-K31 HydrophobicContact CB-CB 3.99Å; F28-K31 HydrophobicContact CB-CG 3.91Å; F28-K31 WeakPolarHBondContact O-CB 3.38Å; F28-K31 PolarHBondContact O-N 3.36Å; P29-K31 PolarHBondContact O-N 3.04Å
32	V	93	Very high	87.9	Confident	9 Å²	9	54.8 Å²	54.8	6%	0.055	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	113.9	-173.4	-176	0	0	0	0	109.5	A9 L11 F24 A25 P29 L35 A98	A9-V32 WeakPolarHBondContact O-CA 3.42Å; L11-V32 HydrophobicContact CD1-CB 4.45Å; L11-V32 HydrophobicContact CD1-CG1 4.07Å; L11-V32 HydrophobicContact CD1-CG2 3.54Å; L11-V32 HydrophobicContact CG-CG1 4.23Å; L11-V32 HydrophobicContact CG-CG2 4.31Å; F24-V32 HydrophobicContact CD1-CG2 3.84Å; F24-V32 HydrophobicContact CE1-CG2 4.07Å; A25-V32 HydrophobicContact CB-CB 4.47Å; A25-V32 HydrophobicContact CB-CG1 4.4Å; A25-V32 HydrophobicContact CB-CG2 4.13Å; P29-V32 PolarHBondContact O-N 2.9Å; V32-L35 HydrophobicContact CG1-CD1 4.49Å; V32-A98 HydrophobicContact CB-CB 4.5Å; V32-A98 HydrophobicContact CG1-CB 4.08Å
33	D	93.1	Very high	87	Confident	75 Å²	75	56.9 Å²	56.9	40%	0.401	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-49.6	178.6	-70.7	-26.1	0	0	0	110.3	H8 A9 D10 P99	H8-D33 VanDerWaalsContact CB-OD2 3.25Å; H8-D33 WeakPolarHBondContact CB-OD2 3.43Å; H8-D33 IonicContact CG-OD1 2.86Å; H8-D33 IonicContact ND1-OD1 3.35Å; A9-D33 PolarHBondContact O-N 3.49Å; D10-D33 WeakPolarHBondContact OD1-CB 3.31Å; D33-P99 WeakPolarHBondContact O-CD 3.36Å
34	H	95.3	Very high	85.9	Confident	95 Å²	95	56.6 Å²	56.6	44%	0.44	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	155	176.5	-51.4	83.3	0	0	0	111.6	D10 L11	D10-H34 WeakPolarHBondContact CA-O 3.23Å; D10-H34 HydrophobicContact CB-CB 4.48Å; D10-H34 WeakPolarHBondContact OD1-CB 3.46Å; D10-H34 IonicContact OD1-CE1 3.94Å; D10-H34 IonicContact OD1-CG 3Å; D10-H34 PolarHBondContact OD1-N 2.86Å; D10-H34 VanDerWaalsContact OD1-N 3.12Å; D10-H34 IonicContact OD1-ND1 3.92Å; D10-H34 PolarHBondContact OD1-ND1 2.92Å; L11-H34 PolarHBondContact N-O 2.8Å
35	L	93.1	Very high	84.8	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.01	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.5	-179.2	-166.6	67.7	0	0	0	110.2	L11 A21 A25 V32 L37 I96 P99 T100 L101	L11-L35 HydrophobicContact CB-CD1 3.73Å; L11-L35 HydrophobicContact CD1-CD1 4.48Å; L11-L35 CarbonylContact O-C 3.55Å; L11-L35 WeakPolarHBondContact O-CA 3.44Å; A21-L35 HydrophobicContact CB-CD1 3.71Å; A25-L35 HydrophobicContact CB-CD1 4.48Å; A25-L35 HydrophobicContact CB-CD2 4.24Å; V32-L35 HydrophobicContact CG1-CD1 4.49Å; L35-L37 HydrophobicContact CD1-CD2 3.91Å; L35-L37 HydrophobicContact CD2-CD1 3.78Å; L35-L37 HydrophobicContact CD2-CD2 3.77Å; L35-L37 HydrophobicContact CD2-CG 3.85Å; L35-L37 HydrophobicContact CG-CD1 4.29Å; L35-L37 HydrophobicContact CG-CD2 3.6Å; L35-L37 HydrophobicContact CG-CG 3.78Å; L35-I96 HydrophobicContact CD2-CG2 4.33Å; L35-P99 PolarHBondContact N-O 2.87Å; L35-T100 HydrophobicContact CB-CG2 3.98Å; L35-T100 HydrophobicContact CD2-CG2 3.87Å; L35-T100 HydrophobicContact CG-CG2 4.11Å; L35-T100 CarbonylContact O-C 3.55Å; L35-T100 VanDerWaalsContact O-CA 3.23Å; L35-T100 WeakPolarHBondContact O-CA 3.45Å; L35-L101 PolarHBondContact O-N 2.81Å
36	V	92.3	Very high	83.5	Confident	41 Å²	41	60.7 Å²	60.7	25%	0.248	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	111.2	172.1	-175.9	0	0	0	0	108.2	L11 L12 G13 L101 I103	L11-V36 PolarHBondContact O-N 3.43Å; L12-V36 WeakPolarHBondContact CA-O 3.46Å; L12-V36 HydrophobicContact CB-CB 4.5Å; L12-V36 HydrophobicContact CD1-CB 3.59Å; L12-V36 HydrophobicContact CD1-CG1 3.45Å; L12-V36 VanDerWaalsContact CD1-CG1 3.45Å; G13-V36 PolarHBondContact N-O 3.11Å; V36-L101 CarbonylContact C-O 3.55Å; V36-L101 WeakPolarHBondContact CA-O 3.4Å; V36-L101 HydrophobicContact CG1-CB 4.43Å; V36-L101 HydrophobicContact CG1-CD2 4.2Å; V36-L101 HydrophobicContact CG1-CG 4.49Å; V36-L101 HydrophobicContact CG2-CB 4.35Å; V36-I103 HydrophobicContact CG1-CD1 4.27Å
37	L	90.6	Very high	82.4	Confident	11 Å²	11	60.2 Å²	60.2	6%	0.058	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	105.3	-175.2	-58.4	179.7	0	0	0	109.5	A18 A21 M22 L35 T100 L101 V102 I103	A18-L37 HydrophobicContact CB-CB 4.19Å; A18-L37 HydrophobicContact CB-CD2 3.93Å; A18-L37 WeakPolarHBondContact O-CD2 3.23Å; A21-L37 HydrophobicContact CB-CD2 4.03Å; M22-L37 HydrophobicContact CG-CD1 3.44Å; M22-L37 VanDerWaalsContact CG-CD1 3.44Å; M22-L37 HydrophobicContact CG-CD2 3.87Å; M22-L37 HydrophobicContact CG-CG 4.31Å; M22-L37 HydrophobicContact SD-CD1 3.7Å; L35-L37 HydrophobicContact CD1-CD2 3.91Å; L35-L37 HydrophobicContact CD2-CD1 3.78Å; L35-L37 HydrophobicContact CD2-CD2 3.77Å; L35-L37 HydrophobicContact CD2-CG 3.85Å; L35-L37 HydrophobicContact CG-CD1 4.29Å; L35-L37 HydrophobicContact CG-CD2 3.6Å; L35-L37 HydrophobicContact CG-CG 3.78Å; L37-T100 HydrophobicContact CD1-CG2 3.7Å; L37-T100 HydrophobicContact CG-CG2 3.96Å; L37-L101 PolarHBondContact N-O 3.01Å; L37-V102 HydrophobicContact CD1-CG2 4.44Å; L37-V102 WeakPolarHBondContact O-CA 3.48Å; L37-I103 PolarHBondContact O-N 2.9Å
38	N	84.6	Confident	81.3	Confident	42 Å²	42	61.7 Å²	61.7	23%	0.225	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	116.3	176	-173.7	-4.5	0	0	0	110.7	G13 F14 S15 G40 I103	G13-N38 PolarHBondContact O-N 3.17Å; F14-N38 CarbonylContact C-O 3.57Å; F14-N38 WeakPolarHBondContact CA-O 3.28Å; F14-N38 HydrophobicContact CD1-CB 3.84Å; F14-N38 VanDerWaalsContact CD1-ND2 3.3Å; F14-N38 WeakPolarHBondContact CD1-ND2 3.5Å; F14-N38 HydrophobicContact CE1-CB 4.25Å; F14-N38 VanDerWaalsContact CE1-ND2 3.34Å; F14-N38 WeakPolarHBondContact CE1-ND2 3.4Å; F14-N38 HydrophobicContact CG-CB 4.47Å; S15-N38 PolarHBondContact N-O 3Å; N38-G40 VanDerWaalsContact C-N 3.25Å; N38-G40 PolarHBondContact O-N 3.4Å; N38-I103 HydrophobicContact CB-CB 4.36Å; N38-I103 HydrophobicContact CB-CD1 4.47Å
39	A	79.8	Confident	80.3	Confident	57 Å²	57	62.5 Å²	62.5	47%	0.471	37%	0.365	S	S	.	.	S	Bend	trans	55.8	32.8	176.5	0	0	0	0	0	115.1	S15 I103	S15-A39 WeakPolarHBondContact CA-O 3.12Å; A39-I103 PolarHBondContact N-O 3.35Å
40	G	77.8	Confident	79.5	Confident	36 Å²	36	64.6 Å²	64.6	37%	0.371	37%	0.372	S	S	.	.			trans	-67.6	149.6	172.4	0	0	0	0	0	112.2	N38	N38-G40 VanDerWaalsContact C-N 3.25Å; N38-G40 PolarHBondContact O-N 3.4Å
41	N	76.7	Confident	78.5	Confident	47 Å²	47	63.3 Å²	63.3	25%	0.251	36%	0.362	S	S	.	.			trans	-146.5	115.6	178.6	-174	19.3	0	0	0	110.3	N19 V43 G46 V47	N19-N41 PolarHBondContact ND2-O 3.14Å; N19-N41 VanDerWaalsContact OD1-C 3.28Å; N19-N41 PolarHBondContact OD1-N 2.92Å; N19-N41 PolarHBondContact OD1-O 3.16Å; N41-V43 VanDerWaalsContact C-N 3.34Å; N41-V43 VanDerWaalsContact CG-O 3.22Å; N41-V43 PolarHBondContact ND2-O 2.96Å; N41-V43 PolarHBondContact O-N 3.45Å; N41-V43 PolarHBondContact OD1-O 3.47Å; N41-G46 WeakPolarHBondContact ND2-CA 3.45Å; N41-V47 WeakPolarHBondContact ND2-CG2 3.44Å; N41-V47 PolarHBondContact ND2-N 2.89Å
42	T	72.3	Confident	77.6	Confident	37 Å²	37	61.3 Å²	61.3	23%	0.227	35%	0.353	C	S	.	.	S	Bend	trans	-75.8	-22	-175.1	55.7	0	0	0	0	113.8	M22 I86 L93	M22-T42 HydrophobicContact CE-CG2 3.8Å; M22-T42 HydrophobicContact SD-CG2 4.24Å; T42-I86 HydrophobicContact CG2-CD1 3.88Å; T42-L93 HydrophobicContact CG2-CD1 3.96Å; T42-L93 HydrophobicContact CG2-CD2 4.42Å
43	V	71.1	Confident	76.9	Confident	57 Å²	57	65.9 Å²	65.9	35%	0.345	38%	0.377	S	S	.	.	S	Bend	trans	-122.9	132.6	-178.1	-71.1	0	0	0	0	111	N41 S45 G46	N41-V43 VanDerWaalsContact C-N 3.34Å; N41-V43 VanDerWaalsContact CG-O 3.22Å; N41-V43 PolarHBondContact ND2-O 2.96Å; N41-V43 PolarHBondContact O-N 3.45Å; N41-V43 PolarHBondContact OD1-O 3.47Å; V43-S45 PolarHBondContact O-N 2.91Å; V43-S45 VanDerWaalsContact O-N 3.13Å; V43-G46 PolarHBondContact O-N 3.41Å
44	P	64.9	Low	76.3	Confident	30 Å²	30	66.8 Å²	66.8	20%	0.195	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-55.6	-34.5	177.9	-25.6	33.1	0	0	0	113.1	G46 V47 H52	P44-G46 PolarHBondContact O-N 3.21Å; P44-G46 VanDerWaalsContact O-N 3.13Å; P44-V47 PolarHBondContact O-N 3.27Å; P44-V47 VanDerWaalsContact O-N 3.17Å; P44-H52 PolarHBondContact O-CD2 3.48Å; P44-H52 VanDerWaalsContact O-CD2 3.28Å; P44-H52 PolarHBondContact O-NE2 3.4Å
45	S	67	Low	75.5	Confident	104 Å²	104	63.6 Å²	63.6	73%	0.727	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-65.6	-12.1	177.5	57.5	0	0	0	0	114.7	V43 V47	V43-S45 PolarHBondContact O-N 2.91Å; V43-S45 VanDerWaalsContact O-N 3.13Å; S45-V47 PolarHBondContact O-N 3.34Å
46	G	64.6	Low	75.1	Confident	50 Å²	50	69.5 Å²	69.5	52%	0.515	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-69.6	-14.6	173.3	0	0	0	0	0	113.4	N41 V43 P44	N41-G46 WeakPolarHBondContact ND2-CA 3.45Å; V43-G46 PolarHBondContact O-N 3.41Å; P44-G46 PolarHBondContact O-N 3.21Å; P44-G46 VanDerWaalsContact O-N 3.13Å
47	V	66.6	Low	74.8	Confident	62 Å²	62	71.1 Å²	71.1	38%	0.376	40%	0.402	S	S	.	.	S	Bend	trans	-86.3	131.5	176.6	-173.4	0	0	0	0	110.1	N41 P44 S45 T49 H52	N41-V47 WeakPolarHBondContact ND2-CG2 3.44Å; N41-V47 PolarHBondContact ND2-N 2.89Å; P44-V47 PolarHBondContact O-N 3.27Å; P44-V47 VanDerWaalsContact O-N 3.17Å; S45-V47 PolarHBondContact O-N 3.34Å; V47-T49 PolarHBondContact O-N 2.82Å; V47-H52 HydrophobicContact CG1-CB 4.46Å
48	R	65.4	Low	74.6	Confident	146 Å²	146	74.9 Å²	74.9	55%	0.551	42%	0.419	S	S	*	.			trans	-55.5	140.9	176.2	-68.8	-179	175.7	178.8	1.3	110.9	L50 Y51 H52	R48-L50 PolarHBondContact O-N 3.37Å; R48-Y51 HydrophobicContact CB-CD2 4.01Å; R48-Y51 PolarHBondContact O-N 3.38Å; R48-H52 PolarHBondContact O-N 2.98Å; R48-H52 VanDerWaalsContact O-N 3.07Å
49	T	71.2	Confident	74.7	Confident	122 Å²	122	75.1 Å²	75.1	75%	0.748	42%	0.417	S	S	*	.	H	α-helix	trans	-49.2	-40	-173.7	-42.3	0	0	0	0	114.1	V47 H52 L53	V47-T49 PolarHBondContact O-N 2.82Å; T49-H52 PolarHBondContact O-N 3.1Å; T49-L53 WeakPolarHBondContact O-CB 3.33Å; T49-L53 PolarHBondContact O-N 2.84Å
50	L	70.4	Confident	75.1	Confident	108 Å²	108	74.5 Å²	74.5	57%	0.565	41%	0.412	S	S	*	.	H	α-helix	trans	-63.2	-46.1	179.5	-178.1	65.9	0	0	0	112.4	R48 H52 L53 L54	R48-L50 PolarHBondContact O-N 3.37Å; L50-H52 VanDerWaalsContact C-N 3.34Å; L50-L53 WeakPolarHBondContact O-CB 3.36Å; L50-L53 PolarHBondContact O-N 3.41Å; L50-L54 WeakPolarHBondContact O-CG 3.39Å; L50-L54 PolarHBondContact O-N 3.2Å
51	Y	68.7	Low	75.5	Confident	125 Å²	125	77.6 Å²	77.6	49%	0.49	42%	0.42	S	S	.	.	H	α-helix	trans	-70.3	-36.4	178.7	-61.8	-65.7	0	0	0	111	R48 L53 L54 S55	R48-Y51 HydrophobicContact CB-CD2 4.01Å; R48-Y51 PolarHBondContact O-N 3.38Å; Y51-L53 VanDerWaalsContact C-N 3.29Å; Y51-L53 PolarHBondContact O-N 2.83Å; Y51-L54 HydrophobicContact CD1-CD1 4.37Å; Y51-L54 PolarHBondContact O-N 2.93Å; Y51-S55 PolarHBondContact O-N 3.19Å; Y51-S55 PolarHBondContact O-OG 3.17Å; Y51-S55 VanDerWaalsContact O-OG 3.12Å
52	H	72.4	Confident	76	Confident	31 Å²	31	75.9 Å²	75.9	14%	0.144	41%	0.411	C	S	.	.	H	α-helix	trans	-62.4	-38	174.5	-150.3	-54.8	0	0	0	111.8	P44 V47 R48 T49 L50 S55 Y56 F83	P44-H52 PolarHBondContact O-CD2 3.48Å; P44-H52 VanDerWaalsContact O-CD2 3.28Å; P44-H52 PolarHBondContact O-NE2 3.4Å; V47-H52 HydrophobicContact CG1-CB 4.46Å; R48-H52 PolarHBondContact O-N 2.98Å; R48-H52 VanDerWaalsContact O-N 3.07Å; T49-H52 PolarHBondContact O-N 3.1Å; L50-H52 VanDerWaalsContact C-N 3.34Å; H52-S55 PolarHBondContact O-N 3.3Å; H52-Y56 AromaticContact CE1-CE2 3.48Å; H52-Y56 VanDerWaalsContact CE1-CE2 3.48Å; H52-Y56 WeakPolarHBondContact CE1-CE2 3.49Å; H52-Y56 AromaticContact CE1-CZ 3.86Å; H52-Y56 AromaticContact ND1-CD2 3.64Å; H52-Y56 AromaticContact ND1-CE2 3.15Å; H52-Y56 WeakPolarHBondContact ND1-CE2 3.3Å; H52-Y56 AromaticContact ND1-CZ 3.98Å; H52-Y56 WeakPolarHBondContact O-CD2 3.22Å; H52-Y56 PolarHBondContact O-N 3.27Å; H52-Y56 VanDerWaalsContact O-N 3.1Å; H52-F83 AromaticContact CE1-CD1 3.74Å
53	L	76.3	Confident	76.9	Confident	105 Å²	105	80.2 Å²	80.2	55%	0.55	42%	0.423	S	S	.	.	H	α-helix	trans	-65	-45.7	172.8	-169.6	100	0	0	0	111.5	T49 L50 Y51 S55 Y56 V57	T49-L53 WeakPolarHBondContact O-CB 3.33Å; T49-L53 PolarHBondContact O-N 2.84Å; L50-L53 WeakPolarHBondContact O-CB 3.36Å; L50-L53 PolarHBondContact O-N 3.41Å; Y51-L53 VanDerWaalsContact C-N 3.29Å; Y51-L53 PolarHBondContact O-N 2.83Å; L53-S55 VanDerWaalsContact C-N 3.3Å; L53-S55 PolarHBondContact O-N 3.27Å; L53-Y56 WeakPolarHBondContact O-CB 3.43Å; L53-Y56 PolarHBondContact O-N 3.03Å; L53-Y56 VanDerWaalsContact O-N 3.1Å; L53-V57 WeakPolarHBondContact O-CG2 3.47Å; L53-V57 PolarHBondContact O-N 3.1Å
54	L	80.5	Confident	77.7	Confident	95 Å²	95	82.7 Å²	82.7	50%	0.497	43%	0.433	S	S	.	.	H	α-helix	trans	-60.8	-39.3	176.4	-71.6	171.9	0	0	0	111.8	L50 Y51 Y56 V57 Q58	L50-L54 WeakPolarHBondContact O-CG 3.39Å; L50-L54 PolarHBondContact O-N 3.2Å; Y51-L54 HydrophobicContact CD1-CD1 4.37Å; Y51-L54 PolarHBondContact O-N 2.93Å; L54-Y56 VanDerWaalsContact C-N 3.33Å; L54-Y56 PolarHBondContact O-N 3.48Å; L54-V57 PolarHBondContact O-N 3.1Å; L54-Q58 WeakPolarHBondContact O-CB 3.22Å; L54-Q58 PolarHBondContact O-N 3.41Å
55	S	80.1	Confident	78.6	Confident	27 Å²	27	82.2 Å²	82.2	19%	0.189	43%	0.433	C	S	.	.	H	α-helix	trans	-62	-39.8	173	-61.4	0	0	0	0	111.8	Y51 H52 L53 Q58 Y59	Y51-S55 PolarHBondContact O-N 3.19Å; Y51-S55 PolarHBondContact O-OG 3.17Å; Y51-S55 VanDerWaalsContact O-OG 3.12Å; H52-S55 PolarHBondContact O-N 3.3Å; L53-S55 VanDerWaalsContact C-N 3.3Å; L53-S55 PolarHBondContact O-N 3.27Å; S55-Q58 PolarHBondContact O-N 3.47Å; S55-Y59 VanDerWaalsContact O-CB 3.31Å; S55-Y59 WeakPolarHBondContact O-CB 3.31Å; S55-Y59 PolarHBondContact O-N 2.89Å
56	Y	83.8	Confident	79.6	Confident	127 Å²	127	77.6 Å²	77.6	50%	0.498	40%	0.402	S	S	.	.	H	α-helix	trans	-63.5	-41	173	-81.4	-64.5	0	0	0	112.3	H52 L53 L54 Y59 A60 F83	H52-Y56 AromaticContact CE1-CE2 3.48Å; H52-Y56 VanDerWaalsContact CE1-CE2 3.48Å; H52-Y56 WeakPolarHBondContact CE1-CE2 3.49Å; H52-Y56 AromaticContact CE1-CZ 3.86Å; H52-Y56 AromaticContact ND1-CD2 3.64Å; H52-Y56 AromaticContact ND1-CE2 3.15Å; H52-Y56 WeakPolarHBondContact ND1-CE2 3.3Å; H52-Y56 AromaticContact ND1-CZ 3.98Å; H52-Y56 WeakPolarHBondContact O-CD2 3.22Å; H52-Y56 PolarHBondContact O-N 3.27Å; H52-Y56 VanDerWaalsContact O-N 3.1Å; L53-Y56 WeakPolarHBondContact O-CB 3.43Å; L53-Y56 PolarHBondContact O-N 3.03Å; L53-Y56 VanDerWaalsContact O-N 3.1Å; L54-Y56 VanDerWaalsContact C-N 3.33Å; L54-Y56 PolarHBondContact O-N 3.48Å; Y56-Y59 PolarHBondContact O-N 3.22Å; Y56-A60 WeakPolarHBondContact O-CB 3.42Å; Y56-A60 PolarHBondContact O-N 3.41Å; Y56-F83 HydrophobicContact CD1-CD1 4.25Å; Y56-F83 AromaticContact CD1-CE1 3.6Å; Y56-F83 HydrophobicContact CD1-CE1 3.6Å; Y56-F83 AromaticContact CD1-CZ 3.85Å; Y56-F83 HydrophobicContact CD1-CZ 3.85Å; Y56-F83 HydrophobicContact CD2-CE1 4.07Å; Y56-F83 AromaticContact CE1-CD1 3.7Å; Y56-F83 HydrophobicContact CE1-CD1 3.7Å; Y56-F83 AromaticContact CE1-CE1 3.53Å; Y56-F83 HydrophobicContact CE1-CE1 3.53Å; Y56-F83 HydrophobicContact CE1-CG 4.39Å; Y56-F83 HydrophobicContact CE1-CZ 4.12Å; Y56-F83 HydrophobicContact CE2-CD1 4.32Å; Y56-F83 HydrophobicContact CE2-CE1 4.03Å; Y56-F83 AromaticContact CG-CE1 3.86Å; Y56-F83 HydrophobicContact CG-CE1 3.86Å; Y56-F83 HydrophobicContact CG-CZ 4.23Å; Y56-F83 AromaticContact CZ-CD1 3.73Å; Y56-F83 AromaticContact CZ-CE1 3.75Å
57	V	85.5	Confident	80.6	Confident	74 Å²	74	81.9 Å²	81.9	45%	0.448	41%	0.406	S	S	.	.	H	α-helix	trans	-63.9	-45.8	175.9	174.3	0	0	0	0	110.6	L53 L54 Y59 A60 I61	L53-V57 WeakPolarHBondContact O-CG2 3.47Å; L53-V57 PolarHBondContact O-N 3.1Å; L54-V57 PolarHBondContact O-N 3.1Å; V57-Y59 PolarHBondContact O-N 3Å; V57-A60 WeakPolarHBondContact O-CB 3.49Å; V57-A60 PolarHBondContact O-N 3.33Å; V57-I61 HydrophobicContact CG1-CD1 3.91Å; V57-I61 HydrophobicContact CG1-CG1 4.48Å; V57-I61 WeakPolarHBondContact O-CG1 3.41Å; V57-I61 PolarHBondContact O-N 3.05Å
58	Q	86.7	Confident	81.5	Confident	90 Å²	90	85.6 Å²	85.6	42%	0.421	43%	0.429	S	S	.	.	H	α-helix	trans	-60.1	-46	175.6	-176	-177.8	15.6	0	0	111.3	L54 S55 A60 I61 V62 L79	L54-Q58 WeakPolarHBondContact O-CB 3.22Å; L54-Q58 PolarHBondContact O-N 3.41Å; S55-Q58 PolarHBondContact O-N 3.47Å; Q58-A60 VanDerWaalsContact C-N 3.3Å; Q58-A60 PolarHBondContact O-N 2.89Å; Q58-I61 PolarHBondContact O-N 3.39Å; Q58-V62 WeakPolarHBondContact O-CG2 3.47Å; Q58-V62 PolarHBondContact O-N 2.98Å; Q58-L79 HydrophobicContact CG-CD1 4.4Å; Q58-L79 HydrophobicContact CG-CD2 4.37Å
59	Y	87.3	Confident	82.5	Confident	47 Å²	47	82.6 Å²	82.6	18%	0.184	42%	0.424	C	S	.	.	H	α-helix	trans	-57.9	-44	175.6	-174.8	-95.1	0	0	0	111.2	S55 Y56 V57 V62 W63 L76 L79 R80 F83	S55-Y59 VanDerWaalsContact O-CB 3.31Å; S55-Y59 WeakPolarHBondContact O-CB 3.31Å; S55-Y59 PolarHBondContact O-N 2.89Å; Y56-Y59 PolarHBondContact O-N 3.22Å; V57-Y59 PolarHBondContact O-N 3Å; Y59-V62 PolarHBondContact O-N 3.16Å; Y59-W63 WeakPolarHBondContact O-CB 3.4Å; Y59-W63 PolarHBondContact O-N 2.82Å; Y59-L76 HydrophobicContact CD2-CD1 4.18Å; Y59-L76 HydrophobicContact CE2-CD1 3.79Å; Y59-L76 HydrophobicContact CE2-CG 4.12Å; Y59-L79 HydrophobicContact CD2-CB 3.85Å; Y59-L79 HydrophobicContact CE2-CB 4.44Å; Y59-R80 HydrophobicContact CE2-CB 4.16Å; Y59-R80 HydrophobicContact CE2-CG 4.3Å; Y59-F83 HydrophobicContact CD2-CD2 4.41Å; Y59-F83 AromaticContact CD2-CE2 3.74Å; Y59-F83 HydrophobicContact CD2-CE2 3.74Å; Y59-F83 AromaticContact CG-CE2 3.78Å; Y59-F83 HydrophobicContact CG-CE2 3.78Å; Y59-F83 HydrophobicContact CG-CZ 4.41Å
60	A	87.5	Confident	83.1	Confident	44 Å²	44	81.4 Å²	81.4	36%	0.364	42%	0.417	S	S	.	.	H	α-helix	trans	-63.6	-44	177.2	0	0	0	0	0	112.4	Y56 V57 Q58 W63 I64	Y56-A60 WeakPolarHBondContact O-CB 3.42Å; Y56-A60 PolarHBondContact O-N 3.41Å; V57-A60 WeakPolarHBondContact O-CB 3.49Å; V57-A60 PolarHBondContact O-N 3.33Å; Q58-A60 VanDerWaalsContact C-N 3.3Å; Q58-A60 PolarHBondContact O-N 2.89Å; A60-W63 PolarHBondContact O-N 3.12Å; A60-I64 VanDerWaalsContact O-CG1 3.28Å; A60-I64 WeakPolarHBondContact O-CG1 3.18Å; A60-I64 PolarHBondContact O-N 3.2Å
61	I	87.6	Confident	83.8	Confident	102 Å²	102	78.3 Å²	78.3	52%	0.523	41%	0.411	S	S	.	.	H	α-helix	trans	-60.6	-49.1	177.3	-68.9	166.5	0	0	0	110.5	V57 Q58 W63 I64 G65	V57-I61 HydrophobicContact CG1-CD1 3.91Å; V57-I61 HydrophobicContact CG1-CG1 4.48Å; V57-I61 WeakPolarHBondContact O-CG1 3.41Å; V57-I61 PolarHBondContact O-N 3.05Å; Q58-I61 PolarHBondContact O-N 3.39Å; I61-W63 VanDerWaalsContact C-N 3.33Å; I61-W63 PolarHBondContact O-N 3.07Å; I61-I64 PolarHBondContact O-N 3.21Å; I61-G65 PolarHBondContact O-N 2.93Å
62	V	86.6	Confident	84.5	Confident	11 Å²	11	75.6 Å²	75.6	7%	0.067	40%	0.403	C	S	.	.	H	α-helix	trans	-68.4	-35	-179.9	176.8	0	0	0	0	111.1	Q58 Y59 G65 A66 M72 F75 L76 L79	Q58-V62 WeakPolarHBondContact O-CG2 3.47Å; Q58-V62 PolarHBondContact O-N 2.98Å; Y59-V62 PolarHBondContact O-N 3.16Å; V62-G65 PolarHBondContact O-N 3.26Å; V62-A66 WeakPolarHBondContact O-CB 3.31Å; V62-A66 PolarHBondContact O-N 2.82Å; V62-M72 HydrophobicContact CG1-CB 3.96Å; V62-M72 HydrophobicContact CG1-CG 4.27Å; V62-F75 HydrophobicContact CG1-CD1 4.27Å; V62-L76 HydrophobicContact CB-CD1 4.43Å; V62-L76 HydrophobicContact CG1-CB 4.49Å; V62-L76 HydrophobicContact CG1-CD1 4.09Å; V62-L79 HydrophobicContact CB-CD1 3.73Å; V62-L79 HydrophobicContact CG1-CD1 3.91Å; V62-L79 HydrophobicContact CG2-CD1 3.68Å
63	W	91.3	Very high	85.2	Confident	127 Å²	127	81.7 Å²	81.7	48%	0.481	43%	0.425	S	S	.	.	H	α-helix	trans	-62.6	-41.8	174.7	-175.8	81.8	0	0	0	112.2	Y59 A60 I61 F67 L76	Y59-W63 WeakPolarHBondContact O-CB 3.4Å; Y59-W63 PolarHBondContact O-N 2.82Å; A60-W63 PolarHBondContact O-N 3.12Å; I61-W63 VanDerWaalsContact C-N 3.33Å; I61-W63 PolarHBondContact O-N 3.07Å; W63-F67 HydrophobicContact CD2-CE2 4.5Å; W63-F67 HydrophobicContact CE3-CE2 4.44Å; W63-F67 HydrophobicContact CH2-CE2 4.11Å; W63-F67 HydrophobicContact CH2-CZ 4.4Å; W63-F67 HydrophobicContact CZ2-CE2 4.17Å; W63-F67 HydrophobicContact CZ2-CZ 4.32Å; W63-F67 HydrophobicContact CZ3-CE2 4.26Å; W63-F67 WeakPolarHBondContact O-CD2 3.39Å; W63-L76 HydrophobicContact CB-CD1 3.77Å; W63-L76 HydrophobicContact CG-CD1 4.42Å
64	I	87.2	Confident	85.6	Confident	110 Å²	110	82.1 Å²	82.1	56%	0.564	43%	0.428	S	S	*	.	H	α-helix	trans	-66.7	-46.4	173.9	-66.5	166.4	0	0	0	110.3	A60 I61 A66 F67	A60-I64 VanDerWaalsContact O-CG1 3.28Å; A60-I64 WeakPolarHBondContact O-CG1 3.18Å; A60-I64 PolarHBondContact O-N 3.2Å; I61-I64 PolarHBondContact O-N 3.21Å; I64-A66 VanDerWaalsContact C-N 3.28Å; I64-A66 PolarHBondContact O-N 3.47Å; I64-F67 WeakPolarHBondContact O-CD2 2.92Å; I64-F67 PolarHBondContact O-N 3.5Å
65	G	85	Confident	85.7	Confident	19 Å²	19	82 Å²	82	20%	0.196	42%	0.423	C	S	.	.	H	α-helix	trans	-66.8	-27.3	-179.7	0	0	0	0	0	113.9	I61 V62 F67 V68 D69 M72	I61-G65 PolarHBondContact O-N 2.93Å; V62-G65 PolarHBondContact O-N 3.26Å; G65-F67 PolarHBondContact O-N 3.47Å; G65-F67 VanDerWaalsContact O-N 3.09Å; G65-V68 PolarHBondContact O-N 3.07Å; G65-D69 PolarHBondContact O-N 3.3Å; G65-M72 VanDerWaalsContact CA-SD 3.57Å
66	A	86.9	Confident	85.9	Confident	8 Å²	8	82 Å²	82	7%	0.066	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-12.6	176.9	0	0	0	0	0	114.4	V62 I64 V68 M72 R73	V62-A66 WeakPolarHBondContact O-CB 3.31Å; V62-A66 PolarHBondContact O-N 2.82Å; I64-A66 VanDerWaalsContact C-N 3.28Å; I64-A66 PolarHBondContact O-N 3.47Å; A66-V68 VanDerWaalsContact C-N 3.31Å; A66-M72 HydrophobicContact CB-CB 4.3Å; A66-R73 HydrophobicContact CB-CB 4.04Å; A66-R73 HydrophobicContact CB-CG 4.21Å
67	F	85.8	Confident	85.6	Confident	140 Å²	140	79.9 Å²	79.9	61%	0.614	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-26.8	169.4	-77.9	-83.8	0	0	0	112.8	W63 I64 G65	W63-F67 HydrophobicContact CD2-CE2 4.5Å; W63-F67 HydrophobicContact CE3-CE2 4.44Å; W63-F67 HydrophobicContact CH2-CE2 4.11Å; W63-F67 HydrophobicContact CH2-CZ 4.4Å; W63-F67 HydrophobicContact CZ2-CE2 4.17Å; W63-F67 HydrophobicContact CZ2-CZ 4.32Å; W63-F67 HydrophobicContact CZ3-CE2 4.26Å; W63-F67 WeakPolarHBondContact O-CD2 3.39Å; I64-F67 WeakPolarHBondContact O-CD2 2.92Å; I64-F67 PolarHBondContact O-N 3.5Å; G65-F67 PolarHBondContact O-N 3.47Å; G65-F67 VanDerWaalsContact O-N 3.09Å
68	V	85	Confident	85.2	Confident	139 Å²	139	81 Å²	81	84%	0.842	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.3	-36.5	-173	-169.6	0	0	0	0	111.2	G65 A66	G65-V68 PolarHBondContact O-N 3.07Å; A66-V68 VanDerWaalsContact C-N 3.31Å
69	D	85.8	Confident	84.9	Confident	83 Å²	83	77 Å²	77	44%	0.444	41%	0.407	S	S	.	.			trans	-111.2	120.5	-174.5	-176.1	-105.8	0	0	0	112.5	G65 G71 M72 R73	G65-D69 PolarHBondContact O-N 3.3Å; D69-G71 PolarHBondContact O-N 3.38Å; D69-G71 WeakPolarHBondContact OD1-CA 3.49Å; D69-G71 PolarHBondContact OD1-N 3.01Å; D69-M72 HydrophobicContact CB-CB 4.19Å; D69-M72 HydrophobicContact CB-CG 4.22Å; D69-M72 PolarHBondContact O-N 3.45Å; D69-M72 PolarHBondContact OD1-N 2.96Å; D69-R73 PolarHBondContact O-N 3.47Å
70	T	84.5	Confident	84.5	Confident	98 Å²	98	81.2 Å²	81.2	60%	0.601	42%	0.423	S	S	*	.	H	α-helix	trans	-63.9	-31.4	178.6	-43.6	0	0	0	0	111.8	R73 N74	T70-R73 WeakPolarHBondContact O-CB 3.41Å; T70-R73 PolarHBondContact O-N 3.32Å; T70-N74 VanDerWaalsContact O-CG 3.31Å; T70-N74 PolarHBondContact O-N 2.85Å; T70-N74 PolarHBondContact O-ND2 3.47Å
71	G	84.6	Confident	83.9	Confident	43 Å²	43	82.7 Å²	82.7	44%	0.443	42%	0.424	S	S	.	.	H	α-helix	trans	-63.4	-49.8	175.9	0	0	0	0	0	111.9	D69 R73 N74 F75	D69-G71 PolarHBondContact O-N 3.38Å; D69-G71 WeakPolarHBondContact OD1-CA 3.49Å; D69-G71 PolarHBondContact OD1-N 3.01Å; G71-R73 VanDerWaalsContact C-N 3.29Å; G71-R73 PolarHBondContact O-N 2.87Å; G71-N74 PolarHBondContact O-N 3.23Å; G71-F75 WeakPolarHBondContact O-CB 3.4Å; G71-F75 PolarHBondContact O-N 2.76Å
72	M	85.2	Confident	83.2	Confident	68 Å²	68	80.4 Å²	80.4	34%	0.335	41%	0.412	S	S	.	.	H	α-helix	trans	-60.2	-38.7	173.6	-74.2	-165	162.1	0	0	112.1	V62 G65 A66 D69 N74 F75 L76	V62-M72 HydrophobicContact CG1-CB 3.96Å; V62-M72 HydrophobicContact CG1-CG 4.27Å; G65-M72 VanDerWaalsContact CA-SD 3.57Å; A66-M72 HydrophobicContact CB-CB 4.3Å; D69-M72 HydrophobicContact CB-CB 4.19Å; D69-M72 HydrophobicContact CB-CG 4.22Å; D69-M72 PolarHBondContact O-N 3.45Å; D69-M72 PolarHBondContact OD1-N 2.96Å; M72-N74 VanDerWaalsContact C-N 3.31Å; M72-N74 PolarHBondContact O-N 2.98Å; M72-F75 PolarHBondContact O-N 3.42Å; M72-F75 VanDerWaalsContact O-N 3.16Å; M72-L76 PolarHBondContact O-N 2.96Å
73	R	85.9	Confident	82.8	Confident	159 Å²	159	81.9 Å²	81.9	60%	0.6	42%	0.418	S	S	*	.	H	α-helix	trans	-61.6	-39.1	175.6	-153.5	177.4	-142.8	176.3	6.7	112.4	A66 D69 T70 G71 P77	A66-R73 HydrophobicContact CB-CB 4.04Å; A66-R73 HydrophobicContact CB-CG 4.21Å; D69-R73 PolarHBondContact O-N 3.47Å; T70-R73 WeakPolarHBondContact O-CB 3.41Å; T70-R73 PolarHBondContact O-N 3.32Å; G71-R73 VanDerWaalsContact C-N 3.29Å; G71-R73 PolarHBondContact O-N 2.87Å; R73-P77 WeakPolarHBondContact O-CD 3.43Å
74	N	84	Confident	81.9	Confident	114 Å²	114	83.2 Å²	83.2	61%	0.61	42%	0.423	S	S	*	.	H	α-helix	trans	-75.8	-25.6	175.4	-69	-18.5	0	0	0	112.9	T70 G71 M72 P77	T70-N74 VanDerWaalsContact O-CG 3.31Å; T70-N74 PolarHBondContact O-N 2.85Å; T70-N74 PolarHBondContact O-ND2 3.47Å; G71-N74 PolarHBondContact O-N 3.23Å; M72-N74 VanDerWaalsContact C-N 3.31Å; M72-N74 PolarHBondContact O-N 2.98Å; N74-P77 WeakPolarHBondContact O-CD 3.49Å
75	F	82.6	Confident	81.2	Confident	91 Å²	91	82.6 Å²	82.6	40%	0.399	42%	0.421	S	S	.	.	H	α-helix	trans	-81.6	-27.6	177.7	-167.2	-116.9	0	0	0	113.1	V62 G71 M72 P77 I78 L79	V62-F75 HydrophobicContact CG1-CD1 4.27Å; G71-F75 WeakPolarHBondContact O-CB 3.4Å; G71-F75 PolarHBondContact O-N 2.76Å; M72-F75 PolarHBondContact O-N 3.42Å; M72-F75 VanDerWaalsContact O-N 3.16Å; F75-P77 VanDerWaalsContact C-CD 3.49Å; F75-I78 HydrophobicContact CD2-CB 4.37Å; F75-I78 HydrophobicContact CD2-CD1 3.99Å; F75-I78 HydrophobicContact CE2-CB 4.46Å; F75-I78 HydrophobicContact CE2-CD1 4.4Å; F75-I78 HydrophobicContact CE2-CG2 4.34Å; F75-I78 WeakPolarHBondContact O-CA 3.23Å; F75-I78 VanDerWaalsContact O-CB 3.31Å; F75-I78 WeakPolarHBondContact O-CB 3.49Å; F75-I78 PolarHBondContact O-N 2.97Å; F75-L79 HydrophobicContact CD1-CD1 3.72Å; F75-L79 HydrophobicContact CD1-CG 3.89Å; F75-L79 HydrophobicContact CE1-CD1 3.68Å; F75-L79 HydrophobicContact CE1-CD2 3.89Å; F75-L79 HydrophobicContact CE1-CG 3.57Å; F75-L79 HydrophobicContact CZ-CD2 4.36Å; F75-L79 HydrophobicContact CZ-CG 4.27Å; F75-L79 PolarHBondContact O-N 3.28Å
76	L	84.5	Confident	80.8	Confident	29 Å²	29	83.9 Å²	83.9	15%	0.152	42%	0.423	C	S	.	.	H	α-helix	trans	-54.8	-42.5	-177.5	-168.7	78.5	0	0	0	114.6	Y59 V62 W63 M72 I78 L79 R80	Y59-L76 HydrophobicContact CD2-CD1 4.18Å; Y59-L76 HydrophobicContact CE2-CD1 3.79Å; Y59-L76 HydrophobicContact CE2-CG 4.12Å; V62-L76 HydrophobicContact CB-CD1 4.43Å; V62-L76 HydrophobicContact CG1-CB 4.49Å; V62-L76 HydrophobicContact CG1-CD1 4.09Å; W63-L76 HydrophobicContact CB-CD1 3.77Å; W63-L76 HydrophobicContact CG-CD1 4.42Å; M72-L76 PolarHBondContact O-N 2.96Å; L76-I78 VanDerWaalsContact C-N 3.26Å; L76-I78 PolarHBondContact O-N 3.17Å; L76-L79 PolarHBondContact O-N 3.12Å; L76-R80 PolarHBondContact O-N 2.76Å; L76-R80 VanDerWaalsContact O-N 3.1Å
77	P	78.8	Confident	80.4	Confident	82 Å²	82	86.2 Å²	86.2	53%	0.532	45%	0.448	S	S	.	.	H	α-helix	trans	-62	-33	175.1	-21.8	34.2	0	0	0	113.1	R73 N74 F75 R80	R73-P77 WeakPolarHBondContact O-CD 3.43Å; N74-P77 WeakPolarHBondContact O-CD 3.49Å; F75-P77 VanDerWaalsContact C-CD 3.49Å; P77-R80 VanDerWaalsContact O-CB 3.32Å; P77-R80 WeakPolarHBondContact O-CB 3.42Å; P77-R80 PolarHBondContact O-N 3.35Å
78	I	77	Confident	80.2	Confident	96 Å²	96	80.5 Å²	80.5	49%	0.492	42%	0.424	S	S	.	.	H	α-helix	trans	-67.3	-48.5	178.1	-57.5	173.4	0	0	0	109.3	F75 L76 R80 L81	F75-I78 HydrophobicContact CD2-CB 4.37Å; F75-I78 HydrophobicContact CD2-CD1 3.99Å; F75-I78 HydrophobicContact CE2-CB 4.46Å; F75-I78 HydrophobicContact CE2-CD1 4.4Å; F75-I78 HydrophobicContact CE2-CG2 4.34Å; F75-I78 WeakPolarHBondContact O-CA 3.23Å; F75-I78 VanDerWaalsContact O-CB 3.31Å; F75-I78 WeakPolarHBondContact O-CB 3.49Å; F75-I78 PolarHBondContact O-N 2.97Å; L76-I78 VanDerWaalsContact C-N 3.26Å; L76-I78 PolarHBondContact O-N 3.17Å; I78-R80 PolarHBondContact O-N 3.23Å; I78-L81 VanDerWaalsContact O-CB 3.23Å; I78-L81 WeakPolarHBondContact O-CB 3.3Å; I78-L81 WeakPolarHBondContact O-CG 3.46Å; I78-L81 PolarHBondContact O-N 2.93Å
79	L	79.2	Confident	80.1	Confident	8 Å²	8	77.5 Å²	77.5	4%	0.042	41%	0.406	C	S	.	.	H	α-helix	trans	-61.4	-27.2	175.3	-74.8	171.3	0	0	0	113.1	Q58 Y59 V62 F75 L76 L81 L82	Q58-L79 HydrophobicContact CG-CD1 4.4Å; Q58-L79 HydrophobicContact CG-CD2 4.37Å; Y59-L79 HydrophobicContact CD2-CB 3.85Å; Y59-L79 HydrophobicContact CE2-CB 4.44Å; V62-L79 HydrophobicContact CB-CD1 3.73Å; V62-L79 HydrophobicContact CG1-CD1 3.91Å; V62-L79 HydrophobicContact CG2-CD1 3.68Å; F75-L79 HydrophobicContact CD1-CD1 3.72Å; F75-L79 HydrophobicContact CD1-CG 3.89Å; F75-L79 HydrophobicContact CE1-CD1 3.68Å; F75-L79 HydrophobicContact CE1-CD2 3.89Å; F75-L79 HydrophobicContact CE1-CG 3.57Å; F75-L79 HydrophobicContact CZ-CD2 4.36Å; F75-L79 HydrophobicContact CZ-CG 4.27Å; F75-L79 PolarHBondContact O-N 3.28Å; L76-L79 PolarHBondContact O-N 3.12Å; L79-L81 PolarHBondContact O-N 3.03Å; L79-L82 HydrophobicContact CD2-CD1 3.72Å; L79-L82 WeakPolarHBondContact O-CB 3.49Å; L79-L82 PolarHBondContact O-N 3.27Å
80	R	80.4	Confident	79.9	Confident	134 Å²	134	78.8 Å²	78.8	51%	0.506	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-64.9	-22.5	177	-152.4	-179.9	-156.1	171.3	6.1	112.6	Y59 L76 P77 I78 L82 F83	Y59-R80 HydrophobicContact CE2-CB 4.16Å; Y59-R80 HydrophobicContact CE2-CG 4.3Å; L76-R80 PolarHBondContact O-N 2.76Å; L76-R80 VanDerWaalsContact O-N 3.1Å; P77-R80 VanDerWaalsContact O-CB 3.32Å; P77-R80 WeakPolarHBondContact O-CB 3.42Å; P77-R80 PolarHBondContact O-N 3.35Å; I78-R80 PolarHBondContact O-N 3.23Å; R80-L82 VanDerWaalsContact C-N 3.26Å; R80-L82 PolarHBondContact O-N 3.19Å; R80-F83 PolarHBondContact O-N 3.13Å
81	L	73.2	Confident	79.8	Confident	76 Å²	76	80.9 Å²	80.9	40%	0.398	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-64.2	-32.2	177.4	-63.4	171.6	0	0	0	111.9	I78 L79 F83 R84	I78-L81 VanDerWaalsContact O-CB 3.23Å; I78-L81 WeakPolarHBondContact O-CB 3.3Å; I78-L81 WeakPolarHBondContact O-CG 3.46Å; I78-L81 PolarHBondContact O-N 2.93Å; L79-L81 PolarHBondContact O-N 3.03Å; L81-F83 PolarHBondContact O-N 2.89Å; L81-R84 PolarHBondContact O-N 3.22Å; L81-R84 VanDerWaalsContact O-N 3.11Å
82	L	72.9	Confident	79.9	Confident	53 Å²	53	80.4 Å²	80.4	28%	0.277	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-57.7	-20.9	177.7	-65.6	166.7	0	0	0	113.8	D16 L79 R80	D16-L82 VanDerWaalsContact OD2-CD2 3.23Å; D16-L82 WeakPolarHBondContact OD2-CD2 3.46Å; L79-L82 HydrophobicContact CD2-CD1 3.72Å; L79-L82 WeakPolarHBondContact O-CB 3.49Å; L79-L82 PolarHBondContact O-N 3.27Å; R80-L82 VanDerWaalsContact C-N 3.26Å; R80-L82 PolarHBondContact O-N 3.19Å
83	F	78.2	Confident	79.9	Confident	43 Å²	43	79.5 Å²	79.5	19%	0.189	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-110.8	0.9	-175	-51.3	-69.6	0	0	0	113.5	H52 Y56 Y59 R80 L81	H52-F83 AromaticContact CE1-CD1 3.74Å; Y56-F83 HydrophobicContact CD1-CD1 4.25Å; Y56-F83 AromaticContact CD1-CE1 3.6Å; Y56-F83 HydrophobicContact CD1-CE1 3.6Å; Y56-F83 AromaticContact CD1-CZ 3.85Å; Y56-F83 HydrophobicContact CD1-CZ 3.85Å; Y56-F83 HydrophobicContact CD2-CE1 4.07Å; Y56-F83 AromaticContact CE1-CD1 3.7Å; Y56-F83 HydrophobicContact CE1-CD1 3.7Å; Y56-F83 AromaticContact CE1-CE1 3.53Å; Y56-F83 HydrophobicContact CE1-CE1 3.53Å; Y56-F83 HydrophobicContact CE1-CG 4.39Å; Y56-F83 HydrophobicContact CE1-CZ 4.12Å; Y56-F83 HydrophobicContact CE2-CD1 4.32Å; Y56-F83 HydrophobicContact CE2-CE1 4.03Å; Y56-F83 AromaticContact CG-CE1 3.86Å; Y56-F83 HydrophobicContact CG-CE1 3.86Å; Y56-F83 HydrophobicContact CG-CZ 4.23Å; Y56-F83 AromaticContact CZ-CD1 3.73Å; Y56-F83 AromaticContact CZ-CE1 3.75Å; Y59-F83 HydrophobicContact CD2-CD2 4.41Å; Y59-F83 AromaticContact CD2-CE2 3.74Å; Y59-F83 HydrophobicContact CD2-CE2 3.74Å; Y59-F83 AromaticContact CG-CE2 3.78Å; Y59-F83 HydrophobicContact CG-CE2 3.78Å; Y59-F83 HydrophobicContact CG-CZ 4.41Å; R80-F83 PolarHBondContact O-N 3.13Å; L81-F83 PolarHBondContact O-N 2.89Å
84	R	73.1	Confident	79.9	Confident	155 Å²	155	78.2 Å²	78.2	59%	0.585	41%	0.408	S	S	*	.	S	Bend	trans	-103.4	134.5	-178.9	-76.1	-172	170.6	-163.9	-3.6	110.2	L81	L81-R84 PolarHBondContact O-N 3.22Å; L81-R84 VanDerWaalsContact O-N 3.11Å
85	D	73.1	Confident	80	Confident	97 Å²	97	77.1 Å²	77.1	52%	0.519	40%	0.399	S	S	.	.			trans	-64.3	134	164.1	-164.1	-37.9	0	0	0	108.6	G87	D85-G87 PolarHBondContact O-N 3.24Å; D85-G87 PolarHBondContact OD1-N 2.79Å
86	I	77	Confident	80.3	Confident	46 Å²	46	74.2 Å²	74.2	24%	0.236	39%	0.388	C	S	.	.			trans	-76.4	-8.1	177.1	61.2	176.7	0	0	0	112.8	N19 M22 V23 T42 L88	N19-I86 HydrophobicContact CB-CD1 3.93Å; N19-I86 HydrophobicContact CB-CG2 3.86Å; M22-I86 HydrophobicContact CE-CD1 4.2Å; V23-I86 HydrophobicContact CG2-CB 3.96Å; V23-I86 HydrophobicContact CG2-CD1 4.3Å; V23-I86 HydrophobicContact CG2-CG1 4.47Å; T42-I86 HydrophobicContact CG2-CD1 3.88Å; I86-L88 VanDerWaalsContact C-N 3.29Å; I86-L88 HydrophobicContact CD1-CB 4.33Å; I86-L88 HydrophobicContact CD1-CD1 3.84Å; I86-L88 HydrophobicContact CD1-CG 4.23Å; I86-L88 HydrophobicContact CG1-CB 4.26Å; I86-L88 HydrophobicContact CG1-CD1 4.43Å; I86-L88 HydrophobicContact CG1-CG 4.28Å; I86-L88 PolarHBondContact O-N 2.86Å
87	G	78.5	Confident	80.4	Confident	57 Å²	57	81.5 Å²	81.5	59%	0.588	42%	0.421	S	S	*	.			trans	75.6	15.1	174.2	0	0	0	0	0	114.2	D85	D85-G87 PolarHBondContact O-N 3.24Å; D85-G87 PolarHBondContact OD1-N 2.79Å
88	L	81.6	Confident	81	Confident	20 Å²	20	78.4 Å²	78.4	11%	0.105	40%	0.402	C	S	.	.			trans	-90.8	118.9	174.2	-67.7	178.3	0	0	0	109.9	M22 V23 R26 I86 D92 L93	M22-L88 HydrophobicContact CB-CD1 3.64Å; V23-L88 HydrophobicContact CB-CD1 4.42Å; V23-L88 HydrophobicContact CG2-CD1 3.69Å; V23-L88 HydrophobicContact CG2-CD2 4.45Å; V23-L88 HydrophobicContact CG2-CG 3.91Å; R26-L88 HydrophobicContact CB-CD2 3.97Å; R26-L88 HydrophobicContact CG-CD2 3.78Å; I86-L88 VanDerWaalsContact C-N 3.29Å; I86-L88 HydrophobicContact CD1-CB 4.33Å; I86-L88 HydrophobicContact CD1-CD1 3.84Å; I86-L88 HydrophobicContact CD1-CG 4.23Å; I86-L88 HydrophobicContact CG1-CB 4.26Å; I86-L88 HydrophobicContact CG1-CD1 4.43Å; I86-L88 HydrophobicContact CG1-CG 4.28Å; I86-L88 PolarHBondContact O-N 2.86Å; L88-D92 HydrophobicContact CB-CB 4.48Å; L88-D92 HydrophobicContact CD2-CB 3.96Å; L88-L93 HydrophobicContact CB-CD2 4.4Å; L88-L93 HydrophobicContact CD1-CD2 4.01Å
89	T	82.6	Confident	81.7	Confident	76 Å²	76	77.9 Å²	77.9	47%	0.466	41%	0.405	S	S	.	.			trans	-78.5	165.5	170.8	66.7	0	0	0	0	110.8	E91 D92 L93	T89-E91 PolarHBondContact O-N 2.91Å; T89-E91 PolarHBondContact OG1-N 3.25Å; T89-D92 WeakPolarHBondContact CB-OD2 3.38Å; T89-D92 PolarHBondContact N-OD2 2.8Å; T89-D92 WeakPolarHBondContact O-CB 3.43Å; T89-D92 PolarHBondContact O-N 2.92Å; T89-D92 VanDerWaalsContact O-N 3.09Å; T89-D92 PolarHBondContact OG1-N 3.23Å; T89-D92 PolarHBondContact OG1-OD2 3.07Å; T89-L93 PolarHBondContact O-N 2.71Å; T89-L93 VanDerWaalsContact O-N 3.09Å
90	T	80	Confident	82.3	Confident	110 Å²	110	80.3 Å²	80.3	68%	0.675	42%	0.42	S	S	*	.	H	α-helix	trans	-58	-32.7	171.8	-47.7	0	0	0	0	111.8	L93 N94	T90-L93 PolarHBondContact O-N 3.08Å; T90-N94 VanDerWaalsContact O-CG 3.28Å; T90-N94 PolarHBondContact O-N 3.08Å; T90-N94 VanDerWaalsContact O-N 3.12Å; T90-N94 PolarHBondContact O-ND2 3.19Å
91	E	83.3	Confident	82.6	Confident	142 Å²	142	78.8 Å²	78.8	66%	0.664	42%	0.422	S	S	*	.	H	α-helix	trans	-68.6	-36.4	176.5	-166.2	167.5	-168.7	0	0	112	T89 N94	T89-E91 PolarHBondContact O-N 2.91Å; T89-E91 PolarHBondContact OG1-N 3.25Å; E91-N94 PolarHBondContact O-N 2.95Å
92	D	86.3	Confident	83.3	Confident	33 Å²	33	79.3 Å²	79.3	18%	0.176	43%	0.428	C	S	.	.	H	α-helix	trans	-66	-41.1	173	-67.3	-59.5	0	0	0	112.5	R26 L88 T89 N94 Q95	R26-D92 HydrophobicContact CG-CB 4.44Å; R26-D92 IonicContact CZ-OD1 2.76Å; R26-D92 IonicContact NE-OD1 3.77Å; R26-D92 PolarHBondContact NE-OD1 2.92Å; R26-D92 IonicContact NH2-OD1 2.72Å; R26-D92 PolarHBondContact NH2-OD1 2.88Å; L88-D92 HydrophobicContact CB-CB 4.48Å; L88-D92 HydrophobicContact CD2-CB 3.96Å; T89-D92 WeakPolarHBondContact CB-OD2 3.38Å; T89-D92 PolarHBondContact N-OD2 2.8Å; T89-D92 WeakPolarHBondContact O-CB 3.43Å; T89-D92 PolarHBondContact O-N 2.92Å; T89-D92 VanDerWaalsContact O-N 3.09Å; T89-D92 PolarHBondContact OG1-N 3.23Å; T89-D92 PolarHBondContact OG1-OD2 3.07Å; D92-N94 VanDerWaalsContact C-N 3.29Å; D92-N94 PolarHBondContact O-N 3.06Å; D92-Q95 WeakPolarHBondContact O-CB 3.25Å; D92-Q95 PolarHBondContact O-N 3.01Å; D92-Q95 VanDerWaalsContact O-N 3.12Å
93	L	86.5	Confident	83.5	Confident	49 Å²	49	80.3 Å²	80.3	26%	0.257	43%	0.433	S	S	.	.	H	α-helix	trans	-62.6	-38.3	177.1	-66.2	175.5	0	0	0	111.5	M22 T42 L88 T89 T90 Q95 I96	M22-L93 HydrophobicContact CB-CD2 4.32Å; M22-L93 HydrophobicContact CG-CD2 4.37Å; M22-L93 HydrophobicContact SD-CD2 3.73Å; T42-L93 HydrophobicContact CG2-CD1 3.96Å; T42-L93 HydrophobicContact CG2-CD2 4.42Å; L88-L93 HydrophobicContact CB-CD2 4.4Å; L88-L93 HydrophobicContact CD1-CD2 4.01Å; T89-L93 PolarHBondContact O-N 2.71Å; T89-L93 VanDerWaalsContact O-N 3.09Å; T90-L93 PolarHBondContact O-N 3.08Å; L93-Q95 PolarHBondContact O-N 2.87Å; L93-I96 HydrophobicContact CD2-CD1 4.2Å; L93-I96 WeakPolarHBondContact O-CB 3.35Å; L93-I96 PolarHBondContact O-N 3.5Å; L93-I96 VanDerWaalsContact O-N 3.12Å
94	N	85.1	Confident	83.1	Confident	132 Å²	132	83 Å²	83	71%	0.706	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-16.1	176.8	-71.8	-22.9	0	0	0	113.5	T90 E91 D92	T90-N94 VanDerWaalsContact O-CG 3.28Å; T90-N94 PolarHBondContact O-N 3.08Å; T90-N94 VanDerWaalsContact O-N 3.12Å; T90-N94 PolarHBondContact O-ND2 3.19Å; E91-N94 PolarHBondContact O-N 2.95Å; D92-N94 VanDerWaalsContact C-N 3.29Å; D92-N94 PolarHBondContact O-N 3.06Å
95	Q	85.9	Confident	82.3	Confident	90 Å²	90	81.1 Å²	81.1	42%	0.421	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-7.5	176.8	-65.7	-177.5	28	0	0	113.3	D92 L93 Q97	D92-Q95 WeakPolarHBondContact O-CB 3.25Å; D92-Q95 PolarHBondContact O-N 3.01Å; D92-Q95 VanDerWaalsContact O-N 3.12Å; L93-Q95 PolarHBondContact O-N 2.87Å; Q95-Q97 PolarHBondContact O-N 2.87Å
96	I	88.9	Confident	81.1	Confident	30 Å²	30	83.9 Å²	83.9	15%	0.154	47%	0.469	C	S	.	.			trans	-75.6	107.3	175.4	-60	175.3	0	0	0	108.5	M22 A25 L35 L93 A98	M22-I96 HydrophobicContact CB-CD1 4.34Å; A25-I96 HydrophobicContact CB-CD1 4.3Å; A25-I96 HydrophobicContact CB-CG1 4.46Å; A25-I96 HydrophobicContact CB-CG2 4.09Å; L35-I96 HydrophobicContact CD2-CG2 4.33Å; L93-I96 HydrophobicContact CD2-CD1 4.2Å; L93-I96 WeakPolarHBondContact O-CB 3.35Å; L93-I96 PolarHBondContact O-N 3.5Å; L93-I96 VanDerWaalsContact O-N 3.12Å; I96-A98 HydrophobicContact CG2-CB 4.42Å
97	Q	86.8	Confident	79.9	Confident	183 Å²	183	88.7 Å²	88.7	86%	0.855	49%	0.489	S	S	*	.			trans	-90.2	-14.4	-178	-62.9	-175	-0.5	0	0	113.8	Q95	Q95-Q97 PolarHBondContact O-N 2.87Å
98	A	90.5	Very high	78.6	Confident	17 Å²	17	91 Å²	91	14%	0.14	49%	0.488	C	S	.	.	S	Bend	trans	-62.7	132.2	178.9	0	0	0	0	0	110.3	V32 I96 T100	V32-A98 HydrophobicContact CB-CB 4.5Å; V32-A98 HydrophobicContact CG1-CB 4.08Å; I96-A98 HydrophobicContact CG2-CB 4.42Å; A98-T100 PolarHBondContact O-N 3Å; A98-T100 PolarHBondContact O-OG1 2.83Å
99	P	92.1	Very high	77.3	Confident	85 Å²	85	95.1 Å²	95.1	55%	0.552	51%	0.51	S	S	*	.			trans	-53.6	119.1	173.6	-23.6	31.8	0	0	0	110.6	D33 L35	D33-P99 WeakPolarHBondContact O-CD 3.36Å; L35-P99 PolarHBondContact N-O 2.87Å
100	T	91.8	Very high	76.1	Confident	58 Å²	58	95.9 Å²	95.9	36%	0.356	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	122.4	-169.1	-60.2	0	0	0	0	110.9	L35 L37 A98 V102	L35-T100 HydrophobicContact CB-CG2 3.98Å; L35-T100 HydrophobicContact CD2-CG2 3.87Å; L35-T100 HydrophobicContact CG-CG2 4.11Å; L35-T100 CarbonylContact O-C 3.55Å; L35-T100 VanDerWaalsContact O-CA 3.23Å; L35-T100 WeakPolarHBondContact O-CA 3.45Å; L37-T100 HydrophobicContact CD1-CG2 3.7Å; L37-T100 HydrophobicContact CG-CG2 3.96Å; A98-T100 PolarHBondContact O-N 3Å; A98-T100 PolarHBondContact O-OG1 2.83Å; T100-V102 HydrophobicContact CG2-CG2 3.9Å
101	L	88.1	Confident	75.5	Confident	103 Å²	103	92.9 Å²	92.9	54%	0.539	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	116.6	168.3	177.5	64.3	0	0	0	109.4	L35 V36 L37 I103	L35-L101 PolarHBondContact O-N 2.81Å; V36-L101 CarbonylContact C-O 3.55Å; V36-L101 WeakPolarHBondContact CA-O 3.4Å; V36-L101 HydrophobicContact CG1-CB 4.43Å; V36-L101 HydrophobicContact CG1-CD2 4.2Å; V36-L101 HydrophobicContact CG1-CG 4.49Å; V36-L101 HydrophobicContact CG2-CB 4.35Å; L37-L101 PolarHBondContact N-O 3.01Å; L101-I103 HydrophobicContact CD2-CG1 4.49Å; L101-I103 HydrophobicContact CG-CG1 4.31Å
102	V	86.2	Confident	75.1	Confident	87 Å²	87	94.3 Å²	94.3	53%	0.527	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	120.7	175.9	-168.7	0	0	0	0	109.7	L37 T100 V104	L37-V102 HydrophobicContact CD1-CG2 4.44Å; L37-V102 WeakPolarHBondContact O-CA 3.48Å; T100-V102 HydrophobicContact CG2-CG2 3.9Å; V102-V104 HydrophobicContact CG1-CG2 3.61Å
103	I	77.5	Confident	74.8	Confident	73 Å²	73	95.3 Å²	95.3	37%	0.374	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	105.6	176	-54.1	174.8	0	0	0	107.7	V36 L37 N38 A39 L101	V36-I103 HydrophobicContact CG1-CD1 4.27Å; L37-I103 PolarHBondContact O-N 2.9Å; N38-I103 HydrophobicContact CB-CB 4.36Å; N38-I103 HydrophobicContact CB-CD1 4.47Å; A39-I103 PolarHBondContact N-O 3.35Å; L101-I103 HydrophobicContact CD2-CG1 4.49Å; L101-I103 HydrophobicContact CG-CG1 4.31Å
104	V	70.7	Confident	74.5	Confident	99 Å²	99	93.9 Å²	93.9	60%	0.6	49%	0.489	S	S	*	.			trans	-115.5	127.9	177.1	-170.7	0	0	0	0	109.4	V102 M106	V102-V104 HydrophobicContact CG1-CG2 3.61Å; V104-M106 HydrophobicContact CB-CG 4.47Å; V104-M106 HydrophobicContact CG1-CG 3.93Å; V104-M106 PolarHBondContact O-N 2.74Å
105	V	56.1	Low	74.1	Confident	116 Å²	116	94.6 Å²	94.6	70%	0.703	48%	0.482	S	S	*	.			trans	-84.7	94.3	167.2	-178.6	0	0	0	0	107.8
106	M	48.5	Very low	74	Confident	155 Å²	155	95.2 Å²	95.2	76%	0.764	49%	0.485	S	S	*	.			trans	-81.2	118.7	170.7	-65.3	-126	-76.8	0	0	108.8	V104 D108	V104-M106 HydrophobicContact CB-CG 4.47Å; V104-M106 HydrophobicContact CG1-CG 3.93Å; V104-M106 PolarHBondContact O-N 2.74Å; M106-D108 PolarHBondContact O-N 3.12Å
107	F	50.8	Low	73.9	Confident	147 Å²	147	94.6 Å²	94.6	65%	0.645	48%	0.48	S	S	*	.			trans	-70.5	89.3	158.9	-71.5	-84.3	0	0	0	106.3	D109	F107-D109 PolarHBondContact O-N 3.12Å
108	D	51.3	Low	73.7	Confident	106 Å²	106	93.1 Å²	93.1	57%	0.567	47%	0.467	S	S	*	.			trans	-52.7	124.2	-177.9	-169	12.3	0	0	0	110.3	M106 H110 R183	M106-D108 PolarHBondContact O-N 3.12Å; D108-H110 PolarHBondContact O-N 3.37Å; D108-R183 IonicContact OD2-NH1 2.79Å
109	D	53.9	Low	73.5	Confident	106 Å²	106	97 Å²	97	57%	0.567	48%	0.484	S	S	*	.			trans	-81.2	30.3	-173.1	-124.8	-5.7	0	0	0	111.6	F107 N111 R115	F107-D109 PolarHBondContact O-N 3.12Å; D109-N111 PolarHBondContact O-N 3.21Å; D109-N111 VanDerWaalsContact O-N 3.08Å; D109-R115 VanDerWaalsContact CG-NH2 3.3Å; D109-R115 IonicContact OD1-CZ 2.92Å; D109-R115 IonicContact OD1-NE 3.15Å; D109-R115 PolarHBondContact OD1-NE 3.41Å; D109-R115 IonicContact OD1-NH2 3.73Å; D109-R115 PolarHBondContact OD1-NH2 3.44Å; D109-R115 IonicContact OD2-NH2 3.8Å; D109-R115 PolarHBondContact OD2-NH2 2.99Å; D109-R115 VanDerWaalsContact OD2-NH2 3.08Å
110	H	58.5	Low	73.2	Confident	92 Å²	92	97.6 Å²	97.6	43%	0.426	48%	0.476	S	S	.	.			trans	-58.2	-32.8	-162.1	-166.7	48.7	0	0	0	113.6	D108 D184	D108-H110 PolarHBondContact O-N 3.37Å; H110-D184 IonicContact CD2-OD1 2.71Å; H110-D184 PolarHBondContact CD2-OD1 3.22Å
111	N	67.5	Low	72.9	Confident	47 Å²	47	97.3 Å²	97.3	25%	0.251	47%	0.472	S	S	.	.			trans	-148.6	116.2	-179	-149.8	-47.9	0	0	0	113.7	D109 Y113 L114 D184 L219	D109-N111 PolarHBondContact O-N 3.21Å; D109-N111 VanDerWaalsContact O-N 3.08Å; N111-Y113 PolarHBondContact O-N 2.82Å; N111-Y113 PolarHBondContact OD1-N 2.8Å; N111-L114 HydrophobicContact CB-CB 4.37Å; N111-L114 HydrophobicContact CB-CD1 3.93Å; N111-L114 HydrophobicContact CB-CG 4.14Å; N111-L114 PolarHBondContact O-N 3.02Å; N111-L114 VanDerWaalsContact O-N 3.15Å; N111-D184 WeakPolarHBondContact CB-OD1 3.37Å; N111-D184 PolarHBondContact ND2-OD1 2.97Å; N111-D184 PolarHBondContact ND2-OD2 3.17Å; N111-L219 WeakPolarHBondContact ND2-CD2 3.33Å
112	Q	73.6	Confident	72.7	Confident	173 Å²	173	96.4 Å²	96.4	81%	0.808	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-31.5	-178.1	-168.3	177.4	9.3	0	0	112.7	L114 R115	Q112-L114 VanDerWaalsContact C-N 3.35Å; Q112-L114 PolarHBondContact O-N 3.28Å; Q112-R115 WeakPolarHBondContact O-CB 3.49Å; Q112-R115 PolarHBondContact O-N 2.94Å
113	Y	80.5	Confident	72.4	Confident	53 Å²	53	94.2 Å²	94.2	21%	0.208	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-36.8	178.2	177.9	-97.9	0	0	0	112.2	N111 R115 Q116 Y117 I214 A218	N111-Y113 PolarHBondContact O-N 2.82Å; N111-Y113 PolarHBondContact OD1-N 2.8Å; Y113-R115 VanDerWaalsContact C-N 3.28Å; Y113-R115 PolarHBondContact O-N 2.99Å; Y113-Q116 VanDerWaalsContact CD2-NE2 3.3Å; Y113-Q116 VanDerWaalsContact CZ-NE2 3.29Å; Y113-Q116 WeakPolarHBondContact O-CG 3.39Å; Y113-Q116 PolarHBondContact O-NE2 3.3Å; Y113-Y117 HydrophobicContact CD1-CE2 4.24Å; Y113-Y117 AromaticContact CE1-CE2 3.62Å; Y113-Y117 HydrophobicContact CE1-CE2 3.62Å; Y113-Y117 AromaticContact CZ-CE2 3.99Å; Y113-Y117 PolarHBondContact OH-OH 3.37Å; Y113-I214 WeakPolarHBondContact OH-CG2 3.47Å; Y113-A218 HydrophobicContact CD1-CB 4.08Å; Y113-A218 HydrophobicContact CD2-CB 3.68Å; Y113-A218 HydrophobicContact CE1-CB 3.92Å; Y113-A218 HydrophobicContact CE2-CB 3.49Å; Y113-A218 VanDerWaalsContact CE2-CB 3.49Å; Y113-A218 HydrophobicContact CG-CB 3.98Å
114	L	79.6	Confident	72.7	Confident	19 Å²	19	91.9 Å²	91.9	10%	0.099	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-74.3	-20.1	-177.5	-67	174.8	0	0	0	113	N111 Q112 Q116 Y117 D184 P187 L188	N111-L114 HydrophobicContact CB-CB 4.37Å; N111-L114 HydrophobicContact CB-CD1 3.93Å; N111-L114 HydrophobicContact CB-CG 4.14Å; N111-L114 PolarHBondContact O-N 3.02Å; N111-L114 VanDerWaalsContact O-N 3.15Å; Q112-L114 VanDerWaalsContact C-N 3.35Å; Q112-L114 PolarHBondContact O-N 3.28Å; L114-Q116 PolarHBondContact O-N 2.96Å; L114-Q116 VanDerWaalsContact O-N 3.13Å; L114-Y117 HydrophobicContact CD2-CD2 4.31Å; L114-Y117 PolarHBondContact O-N 3.15Å; L114-D184 HydrophobicContact CD1-CB 4.01Å; L114-P187 HydrophobicContact CD1-CG 3.79Å; L114-L188 HydrophobicContact CD2-CB 3.93Å; L114-L188 HydrophobicContact CD2-CD1 4.35Å
115	R	77.7	Confident	73.2	Confident	148 Å²	148	89.4 Å²	89.4	56%	0.558	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-53.5	-35.6	176.8	-87.5	-172.2	165.9	-155.5	1.5	112.4	D109 Q112 Y113 Y117 W118	D109-R115 VanDerWaalsContact CG-NH2 3.3Å; D109-R115 IonicContact OD1-CZ 2.92Å; D109-R115 IonicContact OD1-NE 3.15Å; D109-R115 PolarHBondContact OD1-NE 3.41Å; D109-R115 IonicContact OD1-NH2 3.73Å; D109-R115 PolarHBondContact OD1-NH2 3.44Å; D109-R115 IonicContact OD2-NH2 3.8Å; D109-R115 PolarHBondContact OD2-NH2 2.99Å; D109-R115 VanDerWaalsContact OD2-NH2 3.08Å; Q112-R115 WeakPolarHBondContact O-CB 3.49Å; Q112-R115 PolarHBondContact O-N 2.94Å; Y113-R115 VanDerWaalsContact C-N 3.28Å; Y113-R115 PolarHBondContact O-N 2.99Å; R115-Y117 PolarHBondContact O-N 3.13Å; R115-Y117 VanDerWaalsContact O-N 3.17Å; R115-W118 WeakPolarHBondContact O-CB 3Å; R115-W118 PolarHBondContact O-N 3.25Å
116	Q	83.1	Confident	74.5	Confident	103 Å²	103	88 Å²	88	48%	0.481	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-63.9	-22.3	-178.7	75.9	-167.1	-49.9	0	0	113.4	Y113 L114 W118	Y113-Q116 VanDerWaalsContact CD2-NE2 3.3Å; Y113-Q116 VanDerWaalsContact CZ-NE2 3.29Å; Y113-Q116 WeakPolarHBondContact O-CG 3.39Å; Y113-Q116 PolarHBondContact O-NE2 3.3Å; L114-Q116 PolarHBondContact O-N 2.96Å; L114-Q116 VanDerWaalsContact O-N 3.13Å; Q116-W118 VanDerWaalsContact C-N 3.33Å
117	Y	86.8	Confident	76.1	Confident	16 Å²	16	88.5 Å²	88.5	6%	0.063	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-88.3	3.5	-178.7	-60.5	-74	0	0	0	113.9	Y113 L114 R115 I119 W120 L121 L188 A191 I195 M211	Y113-Y117 HydrophobicContact CD1-CE2 4.24Å; Y113-Y117 AromaticContact CE1-CE2 3.62Å; Y113-Y117 HydrophobicContact CE1-CE2 3.62Å; Y113-Y117 AromaticContact CZ-CE2 3.99Å; Y113-Y117 PolarHBondContact OH-OH 3.37Å; L114-Y117 HydrophobicContact CD2-CD2 4.31Å; L114-Y117 PolarHBondContact O-N 3.15Å; R115-Y117 PolarHBondContact O-N 3.13Å; R115-Y117 VanDerWaalsContact O-N 3.17Å; Y117-I119 PolarHBondContact O-N 3.49Å; Y117-I119 VanDerWaalsContact O-N 3.12Å; Y117-W120 AromaticContact CD1-CD1 3.95Å; Y117-W120 WeakPolarHBondContact O-CB 3.27Å; Y117-W120 PolarHBondContact O-N 2.85Å; Y117-L121 WeakPolarHBondContact O-CG 3.34Å; Y117-L121 PolarHBondContact O-N 3.49Å; Y117-L188 HydrophobicContact CE2-CD1 4.24Å; Y117-A191 HydrophobicContact CD1-CB 3.83Å; Y117-A191 HydrophobicContact CG-CB 3.87Å; Y117-I195 HydrophobicContact CD1-CD1 4.31Å; Y117-I195 HydrophobicContact CE1-CD1 4.25Å; Y117-M211 HydrophobicContact CE1-CE 4.33Å; Y117-M211 HydrophobicContact CE1-CG 4.47Å; Y117-M211 HydrophobicContact CE1-SD 3.46Å; Y117-M211 WeakPolarHBondContact CE1-SD 3.36Å; Y117-M211 PolarHBondContact OH-SD 3.45Å
118	W	83.3	Confident	77.7	Confident	152 Å²	152	86.5 Å²	86.5	58%	0.576	42%	0.424	S	S	*	.	H	α-helix	trans	-53.4	-38.7	-176.1	76.1	-88.4	0	0	0	113.2	R115 Q116 L121 I122	R115-W118 WeakPolarHBondContact O-CB 3Å; R115-W118 PolarHBondContact O-N 3.25Å; Q116-W118 VanDerWaalsContact C-N 3.33Å; W118-L121 PolarHBondContact O-N 3.49Å; W118-I122 HydrophobicContact CE3-CD1 3.58Å; W118-I122 HydrophobicContact CE3-CG1 4.37Å; W118-I122 HydrophobicContact CZ3-CD1 3.78Å; W118-I122 WeakPolarHBondContact O-CG1 3.5Å; W118-I122 PolarHBondContact O-N 2.87Å
119	I	85.7	Confident	79.1	Confident	98 Å²	98	84.1 Å²	84.1	50%	0.503	41%	0.414	S	S	.	.	H	α-helix	trans	-68.9	-35.3	-179.7	-166	156.5	0	0	0	112.2	Y117 G123	Y117-I119 PolarHBondContact O-N 3.49Å; Y117-I119 VanDerWaalsContact O-N 3.12Å; I119-G123 PolarHBondContact O-N 2.98Å
120	W	85.9	Confident	80.4	Confident	98 Å²	98	83.4 Å²	83.4	37%	0.371	41%	0.41	S	S	.	.	H	α-helix	trans	-71.2	-38.1	175.8	-61.2	106.7	0	0	0	111.3	Y117 G124 A191 V194 I195 A198	Y117-W120 AromaticContact CD1-CD1 3.95Å; Y117-W120 WeakPolarHBondContact O-CB 3.27Å; Y117-W120 PolarHBondContact O-N 2.85Å; W120-G124 PolarHBondContact O-N 3.3Å; W120-A191 HydrophobicContact CB-CB 4.25Å; W120-V194 HydrophobicContact CE3-CG1 3.84Å; W120-V194 HydrophobicContact CZ3-CG1 4.49Å; W120-I195 HydrophobicContact CD2-CD1 4.01Å; W120-I195 HydrophobicContact CD2-CG1 3.57Å; W120-I195 HydrophobicContact CE3-CG1 3.71Å; W120-I195 HydrophobicContact CG-CD1 4.12Å; W120-I195 HydrophobicContact CG-CG1 4.08Å; W120-I195 HydrophobicContact CH2-CG1 4.09Å; W120-I195 HydrophobicContact CZ2-CD1 4.39Å; W120-I195 HydrophobicContact CZ2-CG1 3.97Å; W120-I195 HydrophobicContact CZ3-CG1 3.97Å; W120-A198 HydrophobicContact CZ3-CB 4.24Å
121	L	86.2	Confident	81.4	Confident	53 Å²	53	81.3 Å²	81.3	28%	0.277	40%	0.403	S	S	.	.	H	α-helix	trans	-65.5	-44.5	175.3	-67	175.3	0	0	0	111.9	Y117 W118 G125 P187 I190	Y117-L121 WeakPolarHBondContact O-CG 3.34Å; Y117-L121 PolarHBondContact O-N 3.49Å; W118-L121 PolarHBondContact O-N 3.49Å; L121-G125 PolarHBondContact O-N 2.94Å; L121-P187 HydrophobicContact CD1-CB 3.96Å; L121-P187 HydrophobicContact CD2-CB 4.1Å; L121-P187 WeakPolarHBondContact CD2-O 3.39Å; L121-I190 HydrophobicContact CD2-CB 3.93Å; L121-I190 HydrophobicContact CD2-CG2 3.79Å
122	I	83.2	Confident	82.1	Confident	83 Å²	83	82.3 Å²	82.3	43%	0.426	41%	0.405	S	S	.	.	H	α-helix	trans	-67.2	-46.4	175.5	-68.1	-176.5	0	0	0	110.4	W118 G124 G125 L126	W118-I122 HydrophobicContact CE3-CD1 3.58Å; W118-I122 HydrophobicContact CE3-CG1 4.37Å; W118-I122 HydrophobicContact CZ3-CD1 3.78Å; W118-I122 WeakPolarHBondContact O-CG1 3.5Å; W118-I122 PolarHBondContact O-N 2.87Å; I122-G124 PolarHBondContact O-N 2.84Å; I122-G125 PolarHBondContact O-N 2.99Å; I122-L126 HydrophobicContact CG2-CD1 3.6Å; I122-L126 HydrophobicContact CG2-CG 4.1Å; I122-L126 VanDerWaalsContact O-CB 3.31Å; I122-L126 WeakPolarHBondContact O-CB 3.22Å; I122-L126 VanDerWaalsContact O-CG 3.27Å; I122-L126 WeakPolarHBondContact O-CG 3.45Å; I122-L126 PolarHBondContact O-N 3.22Å
123	G	80.5	Confident	82.5	Confident	42 Å²	42	77 Å²	77	43%	0.433	39%	0.386	S	S	.	.	H	α-helix	trans	-58.7	-49.2	178.8	0	0	0	0	0	112.4	I119 L126 Y127	I119-G123 PolarHBondContact O-N 2.98Å; G123-L126 PolarHBondContact O-N 2.91Å; G123-Y127 PolarHBondContact O-N 3.41Å; G123-Y127 VanDerWaalsContact O-N 3.15Å
124	G	82.8	Confident	82.4	Confident	23 Å²	23	78.8 Å²	78.8	24%	0.237	40%	0.399	C	S	.	.	H	α-helix	trans	-64.2	-41.2	175.5	0	0	0	0	0	113.1	W120 I122 L126 Y127	W120-G124 PolarHBondContact O-N 3.3Å; I122-G124 PolarHBondContact O-N 2.84Å; G124-L126 PolarHBondContact O-N 2.83Å; G124-Y127 WeakPolarHBondContact O-CB 3.43Å; G124-Y127 PolarHBondContact O-N 3.34Å
125	G	82	Confident	82.4	Confident	48 Å²	48	78.2 Å²	78.2	50%	0.495	40%	0.397	S	S	.	.	H	α-helix	trans	-67.3	-33.6	178	0	0	0	0	0	113.6	L121 I122 P129	L121-G125 PolarHBondContact O-N 2.94Å; I122-G125 PolarHBondContact O-N 2.99Å; G125-P129 WeakPolarHBondContact O-CD 3.5Å
126	L	83.8	Confident	82.4	Confident	86 Å²	86	75.4 Å²	75.4	45%	0.45	39%	0.392	S	S	.	.	H	α-helix	trans	-80.2	-19.7	177.7	-72.4	177.6	0	0	0	113.3	I122 G123 G124 F128 P129 I130	I122-L126 HydrophobicContact CG2-CD1 3.6Å; I122-L126 HydrophobicContact CG2-CG 4.1Å; I122-L126 VanDerWaalsContact O-CB 3.31Å; I122-L126 WeakPolarHBondContact O-CB 3.22Å; I122-L126 VanDerWaalsContact O-CG 3.27Å; I122-L126 WeakPolarHBondContact O-CG 3.45Å; I122-L126 PolarHBondContact O-N 3.22Å; G123-L126 PolarHBondContact O-N 2.91Å; G124-L126 PolarHBondContact O-N 2.83Å; L126-F128 VanDerWaalsContact C-N 3.34Å; L126-F128 PolarHBondContact O-N 2.94Å; L126-P129 WeakPolarHBondContact O-CD 3.46Å; L126-I130 HydrophobicContact CB-CD1 3.93Å; L126-I130 VanDerWaalsContact O-CB 3.31Å; L126-I130 WeakPolarHBondContact O-CB 3.35Å; L126-I130 WeakPolarHBondContact O-CD1 3.43Å; L126-I130 WeakPolarHBondContact O-CG1 3.17Å; L126-I130 PolarHBondContact O-N 3.26Å
127	Y	82.4	Confident	82.1	Confident	166 Å²	166	78.5 Å²	78.5	65%	0.651	41%	0.405	S	S	*	.	H	α-helix	trans	-52.2	-51.6	178.7	176.7	-100.5	0	0	0	111.8	G123 G124 I130 V131	G123-Y127 PolarHBondContact O-N 3.41Å; G123-Y127 VanDerWaalsContact O-N 3.15Å; G124-Y127 WeakPolarHBondContact O-CB 3.43Å; G124-Y127 PolarHBondContact O-N 3.34Å; Y127-I130 PolarHBondContact O-N 2.89Å; Y127-V131 HydrophobicContact CD2-CG2 4.31Å; Y127-V131 HydrophobicContact CE1-CG2 4.35Å; Y127-V131 HydrophobicContact CE2-CG2 3.99Å; Y127-V131 WeakPolarHBondContact O-CB 3.29Å; Y127-V131 VanDerWaalsContact O-CG2 3.29Å; Y127-V131 WeakPolarHBondContact O-CG2 3.38Å; Y127-V131 PolarHBondContact O-N 2.98Å
128	F	83.1	Confident	81.1	Confident	104 Å²	104	79.1 Å²	79.1	46%	0.456	42%	0.416	S	S	.	.	H	α-helix	trans	-65	-53.4	-178.7	170.3	-103.8	0	0	0	113.3	L126 I130 V131 F132 I155	L126-F128 VanDerWaalsContact C-N 3.34Å; L126-F128 PolarHBondContact O-N 2.94Å; F128-I130 VanDerWaalsContact C-N 3.27Å; F128-I130 PolarHBondContact O-N 2.61Å; F128-V131 PolarHBondContact O-N 3.08Å; F128-F132 HydrophobicContact CE2-CB 4.27Å; F128-F132 HydrophobicContact CZ-CB 4.23Å; F128-F132 HydrophobicContact CZ-CD2 4.33Å; F128-F132 HydrophobicContact CZ-CG 4.31Å; F128-F132 WeakPolarHBondContact O-CB 3.14Å; F128-F132 PolarHBondContact O-N 3.36Å; F128-I155 HydrophobicContact CE2-CD1 4.37Å; F128-I155 HydrophobicContact CE2-CG1 3.81Å; F128-I155 HydrophobicContact CE2-CG2 4.42Å; F128-I155 HydrophobicContact CZ-CD1 4.14Å; F128-I155 HydrophobicContact CZ-CG1 3.97Å; F128-I155 HydrophobicContact CZ-CG2 4.14Å
129	P	80.9	Confident	80.1	Confident	56 Å²	56	82.2 Å²	82.2	36%	0.364	43%	0.434	S	S	.	.	H	α-helix	trans	-55.6	-39.4	176	-27.2	34.2	0	0	0	113.7	G125 L126 C133	G125-P129 WeakPolarHBondContact O-CD 3.5Å; L126-P129 WeakPolarHBondContact O-CD 3.46Å; P129-C133 VanDerWaalsContact O-CB 3.32Å; P129-C133 WeakPolarHBondContact O-CB 3.35Å; P129-C133 PolarHBondContact O-N 3.18Å; P129-C133 PolarHBondContact O-SG 3.46Å
130	I	81.2	Confident	79	Confident	92 Å²	92	79.4 Å²	79.4	47%	0.472	43%	0.429	S	S	.	.	H	α-helix	trans	-65.5	-52.2	178.3	-69.4	168.4	0	0	0	110.1	L126 Y127 F128 F132 C133 L134	L126-I130 HydrophobicContact CB-CD1 3.93Å; L126-I130 VanDerWaalsContact O-CB 3.31Å; L126-I130 WeakPolarHBondContact O-CB 3.35Å; L126-I130 WeakPolarHBondContact O-CD1 3.43Å; L126-I130 WeakPolarHBondContact O-CG1 3.17Å; L126-I130 PolarHBondContact O-N 3.26Å; Y127-I130 PolarHBondContact O-N 2.89Å; F128-I130 VanDerWaalsContact C-N 3.27Å; F128-I130 PolarHBondContact O-N 2.61Å; I130-F132 VanDerWaalsContact C-N 3.28Å; I130-F132 PolarHBondContact O-N 3.27Å; I130-C133 PolarHBondContact O-N 3.02Å; I130-L134 HydrophobicContact CG2-CD1 3.93Å; I130-L134 HydrophobicContact CG2-CG 4.43Å; I130-L134 WeakPolarHBondContact O-CB 3.42Å; I130-L134 VanDerWaalsContact O-CG 3.3Å; I130-L134 WeakPolarHBondContact O-CG 3.31Å; I130-L134 PolarHBondContact O-N 2.94Å
131	V	80.2	Confident	77.9	Confident	47 Å²	47	82.9 Å²	82.9	29%	0.285	45%	0.45	S	S	.	.	H	α-helix	trans	-61.4	-39.8	178.8	172.7	0	0	0	0	110.9	Y127 F128 L134 S135 L143	Y127-V131 HydrophobicContact CD2-CG2 4.31Å; Y127-V131 HydrophobicContact CE1-CG2 4.35Å; Y127-V131 HydrophobicContact CE2-CG2 3.99Å; Y127-V131 WeakPolarHBondContact O-CB 3.29Å; Y127-V131 VanDerWaalsContact O-CG2 3.29Å; Y127-V131 WeakPolarHBondContact O-CG2 3.38Å; Y127-V131 PolarHBondContact O-N 2.98Å; F128-V131 PolarHBondContact O-N 3.08Å; V131-L134 PolarHBondContact O-N 3.3Å; V131-S135 WeakPolarHBondContact O-CB 3.16Å; V131-S135 PolarHBondContact O-N 3.48Å; V131-L143 HydrophobicContact CG1-CD2 4.38Å
132	F	82.1	Confident	76.8	Confident	68 Å²	68	90.5 Å²	90.5	30%	0.298	48%	0.476	S	S	.	.	H	α-helix	trans	-64.5	-45.9	176.9	-177.3	-108.6	0	0	0	112.1	F128 I130 S135 L136 R151 I155	F128-F132 HydrophobicContact CE2-CB 4.27Å; F128-F132 HydrophobicContact CZ-CB 4.23Å; F128-F132 HydrophobicContact CZ-CD2 4.33Å; F128-F132 HydrophobicContact CZ-CG 4.31Å; F128-F132 WeakPolarHBondContact O-CB 3.14Å; F128-F132 PolarHBondContact O-N 3.36Å; I130-F132 VanDerWaalsContact C-N 3.28Å; I130-F132 PolarHBondContact O-N 3.27Å; F132-S135 WeakPolarHBondContact O-CB 3.36Å; F132-S135 PolarHBondContact O-N 3.29Å; F132-S135 VanDerWaalsContact O-N 3.15Å; F132-S135 PolarHBondContact O-OG 3.05Å; F132-L136 HydrophobicContact CD1-CD1 3.85Å; F132-L136 HydrophobicContact CE1-CD1 3.42Å; F132-L136 VanDerWaalsContact CE1-CD1 3.42Å; F132-L136 HydrophobicContact CE1-CG 4.34Å; F132-L136 HydrophobicContact CZ-CD1 3.85Å; F132-L136 HydrophobicContact CZ-CG 4.37Å; F132-L136 PolarHBondContact O-N 3.12Å; F132-R151 HydrophobicContact CD2-CG 4.46Å; F132-R151 HydrophobicContact CE2-CG 4.18Å; F132-I155 HydrophobicContact CD2-CD1 3.85Å; F132-I155 HydrophobicContact CE2-CD1 3.65Å
133	C	80.6	Confident	75.9	Confident	61 Å²	61	89.9 Å²	89.9	41%	0.412	47%	0.473	S	S	.	.	H	α-helix	trans	-61.9	-43.9	174.5	-70.6	0	0	0	0	111.3	P129 I130 S135 L136 F137	P129-C133 VanDerWaalsContact O-CB 3.32Å; P129-C133 WeakPolarHBondContact O-CB 3.35Å; P129-C133 PolarHBondContact O-N 3.18Å; P129-C133 PolarHBondContact O-SG 3.46Å; I130-C133 PolarHBondContact O-N 3.02Å; C133-S135 VanDerWaalsContact C-N 3.25Å; C133-S135 PolarHBondContact O-N 2.97Å; C133-L136 WeakPolarHBondContact O-CB 3.37Å; C133-L136 PolarHBondContact O-N 3.41Å; C133-F137 HydrophobicContact CB-CD2 4.38Å; C133-F137 WeakPolarHBondContact O-CD2 3.3Å; C133-F137 PolarHBondContact O-N 3.37Å
134	L	79.3	Confident	75.2	Confident	91 Å²	91	88.9 Å²	88.9	48%	0.476	46%	0.463	S	S	.	.	H	α-helix	trans	-62.2	-33.2	174.7	-70	174.2	0	0	0	112	I130 V131 L136 G138 L143	I130-L134 HydrophobicContact CG2-CD1 3.93Å; I130-L134 HydrophobicContact CG2-CG 4.43Å; I130-L134 WeakPolarHBondContact O-CB 3.42Å; I130-L134 VanDerWaalsContact O-CG 3.3Å; I130-L134 WeakPolarHBondContact O-CG 3.31Å; I130-L134 PolarHBondContact O-N 2.94Å; V131-L134 PolarHBondContact O-N 3.3Å; L134-L136 VanDerWaalsContact C-N 3.34Å; L134-G138 WeakPolarHBondContact O-CA 3.37Å; L134-G138 PolarHBondContact O-N 3.15Å; L134-L143 HydrophobicContact CB-CD1 4.31Å
135	S	78.4	Confident	74.5	Confident	7 Å²	7	94.1 Å²	94.1	5%	0.049	49%	0.485	C	S	.	.	H	α-helix	trans	-71	-28.1	173.4	83	0	0	0	0	113.4	V131 F132 C133 L143 R151	V131-S135 WeakPolarHBondContact O-CB 3.16Å; V131-S135 PolarHBondContact O-N 3.48Å; F132-S135 WeakPolarHBondContact O-CB 3.36Å; F132-S135 PolarHBondContact O-N 3.29Å; F132-S135 VanDerWaalsContact O-N 3.15Å; F132-S135 PolarHBondContact O-OG 3.05Å; C133-S135 VanDerWaalsContact C-N 3.25Å; C133-S135 PolarHBondContact O-N 2.97Å; S135-L143 WeakPolarHBondContact CA-O 3.03Å; S135-R151 PolarHBondContact O-NH1 3.47Å; S135-R151 PolarHBondContact O-NH2 3.5Å; S135-R151 PolarHBondContact OG-NE 3.01Å; S135-R151 PolarHBondContact OG-NH1 2.81Å
136	L	78.1	Confident	74.2	Confident	89 Å²	89	94.7 Å²	94.7	47%	0.466	48%	0.477	S	S	.	.	H	α-helix	trans	-77.8	-40	177	-79.7	165.6	0	0	0	112.3	F132 C133 L134	F132-L136 HydrophobicContact CD1-CD1 3.85Å; F132-L136 HydrophobicContact CE1-CD1 3.42Å; F132-L136 VanDerWaalsContact CE1-CD1 3.42Å; F132-L136 HydrophobicContact CE1-CG 4.34Å; F132-L136 HydrophobicContact CZ-CD1 3.85Å; F132-L136 HydrophobicContact CZ-CG 4.37Å; F132-L136 PolarHBondContact O-N 3.12Å; C133-L136 WeakPolarHBondContact O-CB 3.37Å; C133-L136 PolarHBondContact O-N 3.41Å; L134-L136 VanDerWaalsContact C-N 3.34Å
137	F	77.4	Confident	73.9	Confident	168 Å²	168	97.8 Å²	97.8	74%	0.737	49%	0.486	S	S	*	.	H	α-helix	trans	-112.6	-14.4	-169.2	-58.3	-65.4	0	0	0	114.3	C133	C133-F137 HydrophobicContact CB-CD2 4.38Å; C133-F137 WeakPolarHBondContact O-CD2 3.3Å; C133-F137 PolarHBondContact O-N 3.37Å
138	G	66.3	Low	73.8	Confident	30 Å²	30	94.6 Å²	94.6	31%	0.309	49%	0.488	S	S	.	.			trans	-69.6	132.8	-175.6	0	0	0	0	0	112.3	L134 G144	L134-G138 WeakPolarHBondContact O-CA 3.37Å; L134-G138 PolarHBondContact O-N 3.15Å; G138-G144 VanDerWaalsContact O-CA 3.23Å; G138-G144 WeakPolarHBondContact O-CA 3.31Å
139	K	62.5	Low	73.7	Confident	216 Å²	216	92.6 Å²	92.6	94%	0.939	49%	0.488	S	S	*	.			trans	-95.9	100.9	167.1	-63.8	-177	-178.1	-179	0	107.7
140	G	61	Low	73.9	Confident	40 Å²	40	94 Å²	94	41%	0.412	49%	0.489	S	S	.	.	S	Bend	trans	171.5	144.6	179.6	0	0	0	0	0	113.2	Y142 L143 G144	G140-Y142 PolarHBondContact O-N 3.35Å; G140-Y142 VanDerWaalsContact O-N 3.1Å; G140-L143 PolarHBondContact O-N 3.49Å; G140-G144 PolarHBondContact O-N 3.44Å
141	E	63.3	Low	74	Confident	170 Å²	170	91.4 Å²	91.4	79%	0.794	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-29.5	-173.6	-140.3	173.6	-173.6	0	0	113.2
142	Y	62.9	Low	74.2	Confident	214 Å²	214	94.9 Å²	94.9	84%	0.839	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-29.1	-174.3	-67.1	-76.7	0	0	0	115.4	G140	G140-Y142 PolarHBondContact O-N 3.35Å; G140-Y142 VanDerWaalsContact O-N 3.1Å
143	L	65	Low	74.5	Confident	70 Å²	70	96.9 Å²	96.9	37%	0.366	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.3	-29.5	-173.5	-72.5	172.6	0	0	0	114.4	V131 L134 S135 G140	V131-L143 HydrophobicContact CG1-CD2 4.38Å; L134-L143 HydrophobicContact CB-CD1 4.31Å; S135-L143 WeakPolarHBondContact CA-O 3.03Å; G140-L143 PolarHBondContact O-N 3.49Å
144	G	65.7	Low	74.7	Confident	20 Å²	20	98.6 Å²	98.6	21%	0.206	51%	0.505	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-33.9	-172	0	0	0	0	0	114.7	G138 G140 L146	G138-G144 VanDerWaalsContact O-CA 3.23Å; G138-G144 WeakPolarHBondContact O-CA 3.31Å; G140-G144 PolarHBondContact O-N 3.44Å; G144-L146 PolarHBondContact O-N 2.84Å
145	D	69	Low	75.1	Confident	134 Å²	134	96.9 Å²	96.9	72%	0.717	50%	0.496	S	S	*	.	S	Bend	trans	-84.1	10.5	-172.8	-85.3	-15.4	0	0	0	114.5	K147	D145-K147 PolarHBondContact O-N 3.47Å
146	L	73.9	Confident	75.6	Confident	60 Å²	60	98.6 Å²	98.6	31%	0.314	51%	0.51	S	S	.	.			trans	-73.8	114.1	177	-66.6	173.2	0	0	0	110.7	G144 R151 L154	G144-L146 PolarHBondContact O-N 2.84Å; L146-R151 PolarHBondContact O-NH2 2.96Å; L146-L154 HydrophobicContact CD1-CD1 4.27Å
147	K	79.4	Confident	76.2	Confident	150 Å²	150	98.4 Å²	98.4	65%	0.652	51%	0.512	S	S	*	.			trans	-49.7	144.5	167.6	-71.6	-175.6	179.3	178.9	0	110.8	D145 S149 H150 R151	D145-K147 PolarHBondContact O-N 3.47Å; K147-S149 PolarHBondContact O-N 3.2Å; K147-S149 VanDerWaalsContact O-N 3.11Å; K147-H150 PolarHBondContact O-N 3.16Å; K147-H150 VanDerWaalsContact O-N 3.13Å; K147-R151 PolarHBondContact O-N 2.91Å; K147-R151 VanDerWaalsContact O-N 3.14Å
148	S	80.1	Confident	76.7	Confident	99 Å²	99	92.8 Å²	92.8	69%	0.692	49%	0.494	S	S	*	.	H	α-helix	trans	-57.3	-30.3	-176.1	-166.7	0	0	0	0	113.9	L152	S148-L152 PolarHBondContact O-N 3.36Å
149	S	81.2	Confident	77.8	Confident	63 Å²	63	97.7 Å²	97.7	44%	0.441	51%	0.507	S	S	.	.	H	α-helix	trans	-66.2	-51.5	175.8	54.3	0	0	0	0	112.1	K147 R151 L152 E153	K147-S149 PolarHBondContact O-N 3.2Å; K147-S149 VanDerWaalsContact O-N 3.11Å; S149-R151 PolarHBondContact O-N 3.41Å; S149-L152 PolarHBondContact O-N 3.34Å; S149-L152 VanDerWaalsContact O-N 3.07Å; S149-E153 WeakPolarHBondContact O-CG 3.34Å; S149-E153 PolarHBondContact O-N 2.98Å
150	H	83.7	Confident	79.2	Confident	86 Å²	86	93 Å²	93	40%	0.398	49%	0.492	S	S	.	.	H	α-helix	trans	-61.3	-35.5	178.8	-57.7	147.7	0	0	0	111.7	K147 E153 L154	K147-H150 PolarHBondContact O-N 3.16Å; K147-H150 VanDerWaalsContact O-N 3.13Å; H150-E153 IonicContact CD2-OE2 2.74Å; H150-E153 PolarHBondContact O-N 3.46Å; H150-L154 WeakPolarHBondContact O-CB 3.39Å; H150-L154 VanDerWaalsContact O-CG 3.27Å; H150-L154 WeakPolarHBondContact O-CG 3.45Å; H150-L154 PolarHBondContact O-N 3.32Å
151	R	83	Confident	80.5	Confident	36 Å²	36	96.2 Å²	96.2	14%	0.136	50%	0.496	C	S	.	.	H	α-helix	trans	-60.9	-46.7	174.5	-168.2	178.2	-53.2	-175.4	-0.5	111.6	F132 S135 L146 K147 S149 L154 I155	F132-R151 HydrophobicContact CD2-CG 4.46Å; F132-R151 HydrophobicContact CE2-CG 4.18Å; S135-R151 PolarHBondContact O-NH1 3.47Å; S135-R151 PolarHBondContact O-NH2 3.5Å; S135-R151 PolarHBondContact OG-NE 3.01Å; S135-R151 PolarHBondContact OG-NH1 2.81Å; L146-R151 PolarHBondContact O-NH2 2.96Å; K147-R151 PolarHBondContact O-N 2.91Å; K147-R151 VanDerWaalsContact O-N 3.14Å; S149-R151 PolarHBondContact O-N 3.41Å; R151-L154 PolarHBondContact O-N 3.49Å; R151-I155 HydrophobicContact CG-CD1 4.1Å; R151-I155 WeakPolarHBondContact O-CD1 3.37Å; R151-I155 WeakPolarHBondContact O-CG1 3.13Å; R151-I155 PolarHBondContact O-N 3.17Å
152	L	85.6	Confident	81.7	Confident	121 Å²	121	93.8 Å²	93.8	63%	0.634	48%	0.48	S	S	*	.	H	α-helix	trans	-65.8	-40	179	-167.4	145.3	0	0	0	111.6	S148 S149 I155 A156	S148-L152 PolarHBondContact O-N 3.36Å; S149-L152 PolarHBondContact O-N 3.34Å; S149-L152 VanDerWaalsContact O-N 3.07Å; L152-I155 PolarHBondContact O-N 3.49Å; L152-A156 WeakPolarHBondContact O-CB 3.26Å; L152-A156 PolarHBondContact O-N 2.95Å
153	E	87.2	Confident	83	Confident	110 Å²	110	86.1 Å²	86.1	51%	0.514	46%	0.456	S	S	.	.	H	α-helix	trans	-61.6	-45.2	174.8	-72.2	168.2	-170.7	0	0	112.5	S149 H150 A156 T157	S149-E153 WeakPolarHBondContact O-CG 3.34Å; S149-E153 PolarHBondContact O-N 2.98Å; H150-E153 IonicContact CD2-OE2 2.74Å; H150-E153 PolarHBondContact O-N 3.46Å; E153-A156 PolarHBondContact O-N 3.44Å; E153-T157 WeakPolarHBondContact O-CB 3.31Å; E153-T157 PolarHBondContact O-N 2.9Å; E153-T157 PolarHBondContact O-OG1 3.32Å
154	L	85.9	Confident	84.3	Confident	96 Å²	96	84.3 Å²	84.3	50%	0.503	45%	0.453	S	S	.	.	H	α-helix	trans	-63.4	-41.6	177.2	-74.2	170.2	0	0	0	111.8	L146 H150 R151 S158	L146-L154 HydrophobicContact CD1-CD1 4.27Å; H150-L154 WeakPolarHBondContact O-CB 3.39Å; H150-L154 VanDerWaalsContact O-CG 3.27Å; H150-L154 WeakPolarHBondContact O-CG 3.45Å; H150-L154 PolarHBondContact O-N 3.32Å; R151-L154 PolarHBondContact O-N 3.49Å; L154-S158 VanDerWaalsContact O-CB 3.29Å; L154-S158 WeakPolarHBondContact O-CB 3.5Å; L154-S158 PolarHBondContact O-N 2.85Å; L154-S158 PolarHBondContact O-OG 3.2Å
155	I	87	Confident	85.5	Confident	56 Å²	56	83.7 Å²	83.7	29%	0.287	45%	0.446	S	S	.	.	H	α-helix	trans	-61.3	-50.3	175.4	-67.7	165.5	0	0	0	110.1	F128 F132 R151 L152 T157 S158 F159	F128-I155 HydrophobicContact CE2-CD1 4.37Å; F128-I155 HydrophobicContact CE2-CG1 3.81Å; F128-I155 HydrophobicContact CE2-CG2 4.42Å; F128-I155 HydrophobicContact CZ-CD1 4.14Å; F128-I155 HydrophobicContact CZ-CG1 3.97Å; F128-I155 HydrophobicContact CZ-CG2 4.14Å; F132-I155 HydrophobicContact CD2-CD1 3.85Å; F132-I155 HydrophobicContact CE2-CD1 3.65Å; R151-I155 HydrophobicContact CG-CD1 4.1Å; R151-I155 WeakPolarHBondContact O-CD1 3.37Å; R151-I155 WeakPolarHBondContact O-CG1 3.13Å; R151-I155 PolarHBondContact O-N 3.17Å; L152-I155 PolarHBondContact O-N 3.49Å; I155-T157 PolarHBondContact O-N 3.41Å; I155-S158 PolarHBondContact O-N 2.72Å; I155-F159 VanDerWaalsContact O-CB 3.28Å; I155-F159 WeakPolarHBondContact O-CB 3.49Å; I155-F159 PolarHBondContact O-N 2.94Å
156	A	89.6	Confident	86.7	Confident	43 Å²	43	78.9 Å²	78.9	36%	0.355	42%	0.42	S	S	.	.	H	α-helix	trans	-61.9	-45	-179.1	0	0	0	0	0	111.5	L152 E153 F159 L160	L152-A156 WeakPolarHBondContact O-CB 3.26Å; L152-A156 PolarHBondContact O-N 2.95Å; E153-A156 PolarHBondContact O-N 3.44Å; A156-F159 PolarHBondContact O-N 3.46Å; A156-L160 WeakPolarHBondContact O-CB 3.3Å; A156-L160 VanDerWaalsContact O-CG 3.27Å; A156-L160 WeakPolarHBondContact O-CG 3.06Å; A156-L160 PolarHBondContact O-N 2.92Å
157	T	90	Very high	87.6	Confident	84 Å²	84	79.7 Å²	79.7	52%	0.515	43%	0.427	S	S	.	.	H	α-helix	trans	-62.7	-48.8	178.9	-54.5	0	0	0	0	110.9	E153 I155 F159 L160 E161	E153-T157 WeakPolarHBondContact O-CB 3.31Å; E153-T157 PolarHBondContact O-N 2.9Å; E153-T157 PolarHBondContact O-OG1 3.32Å; I155-T157 PolarHBondContact O-N 3.41Å; T157-F159 VanDerWaalsContact C-N 3.34Å; T157-F159 PolarHBondContact O-N 2.98Å; T157-L160 PolarHBondContact O-N 3.37Å; T157-E161 WeakPolarHBondContact O-CB 3.45Å; T157-E161 PolarHBondContact O-N 2.84Å
158	S	88.6	Confident	88.2	Confident	51 Å²	51	74.9 Å²	74.9	36%	0.357	41%	0.412	S	S	.	.	H	α-helix	trans	-61	-44.5	178.3	-56.5	0	0	0	0	111.1	L154 I155 L160 E161 W162	L154-S158 VanDerWaalsContact O-CB 3.29Å; L154-S158 WeakPolarHBondContact O-CB 3.5Å; L154-S158 PolarHBondContact O-N 2.85Å; L154-S158 PolarHBondContact O-OG 3.2Å; I155-S158 PolarHBondContact O-N 2.72Å; S158-L160 VanDerWaalsContact C-N 3.34Å; S158-L160 PolarHBondContact O-N 3.49Å; S158-E161 PolarHBondContact O-N 3.33Å; S158-W162 PolarHBondContact O-N 3.34Å
159	F	89.5	Confident	88.9	Confident	132 Å²	132	70.1 Å²	70.1	58%	0.579	38%	0.379	S	S	*	.	H	α-helix	trans	-59.4	-45.2	177.5	176.2	-98.9	0	0	0	111.8	I155 A156 T157 T163	I155-F159 VanDerWaalsContact O-CB 3.28Å; I155-F159 WeakPolarHBondContact O-CB 3.49Å; I155-F159 PolarHBondContact O-N 2.94Å; A156-F159 PolarHBondContact O-N 3.46Å; T157-F159 VanDerWaalsContact C-N 3.34Å; T157-F159 PolarHBondContact O-N 2.98Å; F159-T163 WeakPolarHBondContact O-CB 3.5Å; F159-T163 PolarHBondContact O-N 2.85Å; F159-T163 PolarHBondContact O-OG1 3.37Å
160	L	91.5	Very high	89.6	Confident	119 Å²	119	68.4 Å²	68.4	62%	0.623	37%	0.365	S	S	*	.	H	α-helix	trans	-66	-40	177.8	-71.7	174.2	0	0	0	112.2	A156 T157 S158 G164	A156-L160 WeakPolarHBondContact O-CB 3.3Å; A156-L160 VanDerWaalsContact O-CG 3.27Å; A156-L160 WeakPolarHBondContact O-CG 3.06Å; A156-L160 PolarHBondContact O-N 2.92Å; T157-L160 PolarHBondContact O-N 3.37Å; S158-L160 VanDerWaalsContact C-N 3.34Å; S158-L160 PolarHBondContact O-N 3.49Å; L160-G164 WeakPolarHBondContact O-CA 3.2Å; L160-G164 PolarHBondContact O-N 3.29Å
161	E	88.7	Confident	90	Very high	107 Å²	107	66.5 Å²	66.5	50%	0.5	36%	0.361	S	S	.	.	H	α-helix	trans	-63.9	-54.7	178.1	-174.4	175.9	176.7	0	0	111.1	T157 S158 T163 G164 T165	T157-E161 WeakPolarHBondContact O-CB 3.45Å; T157-E161 PolarHBondContact O-N 2.84Å; S158-E161 PolarHBondContact O-N 3.33Å; E161-T163 PolarHBondContact O-N 2.8Å; E161-G164 PolarHBondContact O-N 3.42Å; E161-T165 WeakPolarHBondContact O-CB 3.45Å; E161-T165 PolarHBondContact O-N 3.35Å; E161-T165 PolarHBondContact O-OG1 3.36Å
162	W	88.4	Confident	90.6	Very high	118 Å²	118	65.8 Å²	65.8	45%	0.447	36%	0.36	S	S	.	.	H	α-helix	trans	-62.6	-44.9	-179.7	-71.8	115.6	0	0	0	112.3	S158 T165 L166 T193 I197	S158-W162 PolarHBondContact O-N 3.34Å; W162-T165 PolarHBondContact O-N 3.35Å; W162-L166 PolarHBondContact O-N 3.44Å; W162-T193 HydrophobicContact CE3-CG2 4.15Å; W162-T193 HydrophobicContact CH2-CG2 3.6Å; W162-T193 HydrophobicContact CZ3-CG2 3.2Å; W162-I197 HydrophobicContact CH2-CD1 3.85Å; W162-I197 HydrophobicContact CZ2-CD1 4.22Å
163	T	90.4	Very high	90.9	Very high	54 Å²	54	60 Å²	60	33%	0.331	33%	0.33	S	S	.	.	H	α-helix	trans	-65.7	-44.6	178.3	-55.6	0	0	0	0	110.9	F159 E161 T165 L166 V167	F159-T163 WeakPolarHBondContact O-CB 3.5Å; F159-T163 PolarHBondContact O-N 2.85Å; F159-T163 PolarHBondContact O-OG1 3.37Å; E161-T163 PolarHBondContact O-N 2.8Å; T163-T165 VanDerWaalsContact C-N 3.3Å; T163-T165 PolarHBondContact O-N 3.05Å; T163-L166 PolarHBondContact O-N 3.24Å; T163-V167 HydrophobicContact CG2-CG2 4.2Å; T163-V167 WeakPolarHBondContact O-CB 3.49Å; T163-V167 VanDerWaalsContact O-CG2 3.24Å; T163-V167 WeakPolarHBondContact O-CG2 3.48Å; T163-V167 PolarHBondContact O-N 3.5Å
164	G	91.6	Very high	91.2	Very high	31 Å²	31	59.5 Å²	59.5	32%	0.32	33%	0.33	S	S	.	.	H	α-helix	trans	-61	-38.9	177.8	0	0	0	0	0	112.4	L160 E161 S168	L160-G164 WeakPolarHBondContact O-CA 3.2Å; L160-G164 PolarHBondContact O-N 3.29Å; E161-G164 PolarHBondContact O-N 3.42Å; G164-S168 VanDerWaalsContact O-CB 3.27Å; G164-S168 WeakPolarHBondContact O-CB 3.27Å; G164-S168 PolarHBondContact O-N 2.87Å; G164-S168 PolarHBondContact O-OG 3.13Å
165	T	91.7	Very high	91.5	Very high	8 Å²	8	62.2 Å²	62.2	5%	0.049	34%	0.344	C	S	.	.	H	α-helix	trans	-64.6	-49.5	176.5	-48.5	0	0	0	0	111.4	E161 W162 T163 S168 F169 F189 F233 Y237	E161-T165 WeakPolarHBondContact O-CB 3.45Å; E161-T165 PolarHBondContact O-N 3.35Å; E161-T165 PolarHBondContact O-OG1 3.36Å; W162-T165 PolarHBondContact O-N 3.35Å; T163-T165 VanDerWaalsContact C-N 3.3Å; T163-T165 PolarHBondContact O-N 3.05Å; T165-S168 PolarHBondContact O-N 3.37Å; T165-F169 PolarHBondContact O-N 2.77Å; T165-F189 HydrophobicContact CG2-CZ 3.83Å; T165-F233 HydrophobicContact CG2-CE2 3.98Å; T165-F233 HydrophobicContact CG2-CZ 3.64Å; T165-Y237 HydrophobicContact CG2-CD1 4.42Å; T165-Y237 HydrophobicContact CG2-CD2 4.16Å; T165-Y237 HydrophobicContact CG2-CE1 4.01Å; T165-Y237 HydrophobicContact CG2-CE2 3.71Å; T165-Y237 HydrophobicContact CG2-CG 4.5Å; T165-Y237 WeakPolarHBondContact OG1-CE2 3.24Å; T165-Y237 PolarHBondContact OG1-OH 3.12Å
166	L	93.2	Very high	91.8	Very high	32 Å²	32	62.7 Å²	62.7	17%	0.168	35%	0.346	C	S	.	.	H	α-helix	trans	-61.7	-46.8	178.3	176	64.6	0	0	0	111.6	W162 T163 S168 F169 I170 V186 F189	W162-L166 PolarHBondContact O-N 3.44Å; T163-L166 PolarHBondContact O-N 3.24Å; L166-S168 VanDerWaalsContact C-N 3.31Å; L166-S168 PolarHBondContact O-N 3.02Å; L166-F169 PolarHBondContact O-N 2.96Å; L166-I170 HydrophobicContact CD1-CD1 3.87Å; L166-I170 HydrophobicContact CD1-CG1 4.32Å; L166-I170 HydrophobicContact CG-CD1 3.93Å; L166-I170 WeakPolarHBondContact O-CG1 3.35Å; L166-I170 PolarHBondContact O-N 3.35Å; L166-V186 HydrophobicContact CD1-CG2 4.24Å; L166-V186 HydrophobicContact CD2-CG1 4.14Å; L166-V186 HydrophobicContact CD2-CG2 4.19Å; L166-F189 HydrophobicContact CB-CD1 4.39Å; L166-F189 HydrophobicContact CB-CE1 4.21Å; L166-F189 HydrophobicContact CD1-CB 3.94Å; L166-F189 HydrophobicContact CD1-CD1 3.59Å; L166-F189 HydrophobicContact CD1-CD2 4.31Å; L166-F189 HydrophobicContact CD1-CE1 4.2Å; L166-F189 HydrophobicContact CD1-CG 3.67Å
167	V	93.2	Very high	91.9	Very high	78 Å²	78	62.8 Å²	62.8	47%	0.473	35%	0.351	S	S	.	.	H	α-helix	trans	-60.7	-42.4	176.8	169	0	0	0	0	110.7	T163 I170 S171	T163-V167 HydrophobicContact CG2-CG2 4.2Å; T163-V167 WeakPolarHBondContact O-CB 3.49Å; T163-V167 VanDerWaalsContact O-CG2 3.24Å; T163-V167 WeakPolarHBondContact O-CG2 3.48Å; T163-V167 PolarHBondContact O-N 3.5Å; V167-I170 PolarHBondContact O-N 3.15Å; V167-S171 VanDerWaalsContact O-CB 3.23Å; V167-S171 WeakPolarHBondContact O-CB 3.34Å; V167-S171 PolarHBondContact O-N 3.27Å; V167-S171 PolarHBondContact O-OG 3.05Å
168	S	92.1	Very high	91.9	Very high	48 Å²	48	59.7 Å²	59.7	34%	0.336	33%	0.331	S	S	.	.	H	α-helix	trans	-62.3	-46	177.1	-61.6	0	0	0	0	111.1	G164 T165 L166 S171 I172	G164-S168 VanDerWaalsContact O-CB 3.27Å; G164-S168 WeakPolarHBondContact O-CB 3.27Å; G164-S168 PolarHBondContact O-N 2.87Å; G164-S168 PolarHBondContact O-OG 3.13Å; T165-S168 PolarHBondContact O-N 3.37Å; L166-S168 VanDerWaalsContact C-N 3.31Å; L166-S168 PolarHBondContact O-N 3.02Å; S168-S171 PolarHBondContact O-N 3.32Å; S168-I172 VanDerWaalsContact O-CG1 3.28Å; S168-I172 WeakPolarHBondContact O-CG1 3.35Å; S168-I172 PolarHBondContact O-N 3.34Å; S168-I172 VanDerWaalsContact O-N 3.07Å
169	F	95.2	Very high	91.5	Very high	0 Å²	0	66 Å²	66	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-58.1	-52.6	177.1	-175.2	-93.1	0	0	0	111.3	T165 L166 S171 I172 G173 V185 F189 F208 M212 L216 W229 L230 F233	T165-F169 PolarHBondContact O-N 2.77Å; L166-F169 PolarHBondContact O-N 2.96Å; F169-S171 PolarHBondContact O-N 3.38Å; F169-I172 PolarHBondContact O-N 2.99Å; F169-G173 PolarHBondContact O-N 3.28Å; F169-V185 HydrophobicContact CD1-CG1 4.01Å; F169-V185 HydrophobicContact CE1-CG1 3.82Å; F169-F189 HydrophobicContact CB-CD2 4.07Å; F169-F189 HydrophobicContact CB-CE2 3.68Å; F169-F189 AromaticContact CD1-CD2 3.8Å; F169-F189 HydrophobicContact CD1-CD2 3.8Å; F169-F189 HydrophobicContact CD1-CE2 4.25Å; F169-F189 HydrophobicContact CD2-CD2 4.26Å; F169-F189 HydrophobicContact CD2-CE2 4.05Å; F169-F189 HydrophobicContact CE1-CD2 4.38Å; F169-F189 AromaticContact CG-CD2 3.75Å; F169-F189 HydrophobicContact CG-CD2 3.75Å; F169-F189 AromaticContact CG-CE2 3.71Å; F169-F189 HydrophobicContact CG-CE2 3.71Å; F169-F208 HydrophobicContact CD2-CZ 4.48Å; F169-F208 HydrophobicContact CE2-CZ 4.44Å; F169-M212 HydrophobicContact CE1-CE 3.56Å; F169-M212 HydrophobicContact CE2-CE 4.36Å; F169-M212 HydrophobicContact CZ-CE 3.44Å; F169-M212 VanDerWaalsContact CZ-CE 3.44Å; F169-L216 HydrophobicContact CZ-CD1 4.2Å; F169-W229 HydrophobicContact CD1-CH2 4.5Å; F169-W229 AromaticContact CD1-CZ2 3.73Å; F169-W229 HydrophobicContact CD1-CZ2 3.73Å; F169-W229 HydrophobicContact CE1-CD2 4.35Å; F169-W229 AromaticContact CE1-CE2 3.64Å; F169-W229 AromaticContact CE1-CH2 3.81Å; F169-W229 HydrophobicContact CE1-CH2 3.81Å; F169-W229 AromaticContact CE1-CZ2 3.33Å; F169-W229 HydrophobicContact CE1-CZ2 3.33Å; F169-W229 HydrophobicContact CE1-CZ3 4.46Å; F169-W229 AromaticContact CE2-NE1 3.93Å; F169-W229 HydrophobicContact CZ-CD2 4.01Å; F169-W229 AromaticContact CZ-CE2 3.65Å; F169-W229 HydrophobicContact CZ-CE3 4.48Å; F169-W229 HydrophobicContact CZ-CG 4.47Å; F169-W229 HydrophobicContact CZ-CH2 4.37Å; F169-W229 AromaticContact CZ-CZ2 3.85Å; F169-W229 HydrophobicContact CZ-CZ2 3.85Å; F169-W229 AromaticContact CZ-NE1 3.9Å; F169-W229 VanDerWaalsContact O-CZ2 3.31Å; F169-W229 WeakPolarHBondContact O-CZ2 3.36Å; F169-W229 PolarHBondContact O-NE1 3.05Å; F169-L230 HydrophobicContact CE2-CD2 3.96Å; F169-F233 HydrophobicContact CB-CD2 3.98Å; F169-F233 HydrophobicContact CB-CE2 3.96Å; F169-F233 HydrophobicContact CD2-CB 4.04Å; F169-F233 AromaticContact CD2-CD1 3.99Å; F169-F233 HydrophobicContact CD2-CD1 3.99Å; F169-F233 AromaticContact CD2-CD2 3.8Å; F169-F233 HydrophobicContact CD2-CD2 3.8Å; F169-F233 HydrophobicContact CD2-CE1 4.4Å; F169-F233 HydrophobicContact CD2-CE2 4.24Å; F169-F233 AromaticContact CD2-CG 3.66Å; F169-F233 HydrophobicContact CD2-CG 3.66Å; F169-F233 HydrophobicContact CE2-CB 4.41Å; F169-F233 HydrophobicContact CE2-CG 4.36Å; F169-F233 HydrophobicContact CG-CD2 4.41Å
170	I	94.7	Very high	91.2	Very high	26 Å²	26	61.1 Å²	61.1	13%	0.133	34%	0.335	C	S	.	.	H	α-helix	trans	-60.3	-45	178.8	-67.6	168.2	0	0	0	111.2	L166 V167 I172 G173 L174 I182 V185 V186	L166-I170 HydrophobicContact CD1-CD1 3.87Å; L166-I170 HydrophobicContact CD1-CG1 4.32Å; L166-I170 HydrophobicContact CG-CD1 3.93Å; L166-I170 WeakPolarHBondContact O-CG1 3.35Å; L166-I170 PolarHBondContact O-N 3.35Å; V167-I170 PolarHBondContact O-N 3.15Å; I170-I172 VanDerWaalsContact C-N 3.3Å; I170-I172 PolarHBondContact O-N 3.28Å; I170-G173 PolarHBondContact O-N 2.87Å; I170-G173 VanDerWaalsContact O-N 3.12Å; I170-L174 HydrophobicContact CG2-CD1 3.89Å; I170-L174 HydrophobicContact CG2-CG 4.23Å; I170-L174 WeakPolarHBondContact O-CG 3.45Å; I170-L174 PolarHBondContact O-N 2.85Å; I170-I182 HydrophobicContact CD1-CG2 4.16Å; I170-I182 HydrophobicContact CG2-CD1 4.44Å; I170-I182 HydrophobicContact CG2-CG1 4.35Å; I170-V185 HydrophobicContact CG1-CG1 4.24Å; I170-V186 HydrophobicContact CD1-CG2 3.97Å
171	S	93.3	Very high	91	Very high	47 Å²	47	57.6 Å²	57.6	33%	0.329	32%	0.321	S	S	.	.	H	α-helix	trans	-60	-40	-178.6	-60.6	0	0	0	0	111.9	V167 S168 F169 G173 L174 L175	V167-S171 VanDerWaalsContact O-CB 3.23Å; V167-S171 WeakPolarHBondContact O-CB 3.34Å; V167-S171 PolarHBondContact O-N 3.27Å; V167-S171 PolarHBondContact O-OG 3.05Å; S168-S171 PolarHBondContact O-N 3.32Å; F169-S171 PolarHBondContact O-N 3.38Å; S171-G173 VanDerWaalsContact C-N 3.35Å; S171-G173 PolarHBondContact O-N 2.68Å; S171-L174 PolarHBondContact O-N 2.87Å; S171-L175 WeakPolarHBondContact O-CB 3.14Å; S171-L175 VanDerWaalsContact O-CG 3.23Å; S171-L175 WeakPolarHBondContact O-CG 3.3Å; S171-L175 PolarHBondContact O-N 3.07Å
172	I	94.3	Very high	90.9	Very high	20 Å²	20	56.8 Å²	56.8	10%	0.103	32%	0.319	C	S	.	.	H	α-helix	trans	-62.2	-44.5	176.6	-66.8	166.4	0	0	0	110.5	S168 F169 I170 L174 L175 M176 W229 L232 F233	S168-I172 VanDerWaalsContact O-CG1 3.28Å; S168-I172 WeakPolarHBondContact O-CG1 3.35Å; S168-I172 PolarHBondContact O-N 3.34Å; S168-I172 VanDerWaalsContact O-N 3.07Å; F169-I172 PolarHBondContact O-N 2.99Å; I170-I172 VanDerWaalsContact C-N 3.3Å; I170-I172 PolarHBondContact O-N 3.28Å; I172-L174 PolarHBondContact O-N 3.27Å; I172-L175 PolarHBondContact O-N 3.14Å; I172-M176 HydrophobicContact CG2-CG 4.46Å; I172-M176 HydrophobicContact CG2-SD 4.08Å; I172-M176 VanDerWaalsContact O-CG 3.3Å; I172-M176 WeakPolarHBondContact O-CG 3.14Å; I172-M176 PolarHBondContact O-N 3.37Å; I172-W229 VanDerWaalsContact CG2-CD1 3.43Å; I172-W229 HydrophobicContact CG2-CG 4.49Å; I172-L232 HydrophobicContact CG2-CB 3.69Å; I172-L232 HydrophobicContact CG2-CD1 4.09Å; I172-F233 VanDerWaalsContact CD1-CA 3.49Å; I172-F233 HydrophobicContact CD1-CB 4.01Å; I172-F233 HydrophobicContact CD1-CD2 4.24Å
173	G	93.3	Very high	90.6	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-62	-44.8	178.3	0	0	0	0	0	112.3	F169 I170 S171 L175 M176 G177 I178 W229	F169-G173 PolarHBondContact O-N 3.28Å; I170-G173 PolarHBondContact O-N 2.87Å; I170-G173 VanDerWaalsContact O-N 3.12Å; S171-G173 VanDerWaalsContact C-N 3.35Å; S171-G173 PolarHBondContact O-N 2.68Å; G173-L175 VanDerWaalsContact C-N 3.34Å; G173-L175 PolarHBondContact O-N 3.38Å; G173-M176 PolarHBondContact O-N 2.81Å; G173-G177 PolarHBondContact O-N 3.08Å; G173-I178 VanDerWaalsContact O-CB 3.32Å; G173-I178 WeakPolarHBondContact O-CB 3.49Å; G173-I178 PolarHBondContact O-N 3.29Å; G173-W229 VanDerWaalsContact N-NE1 3.16Å
174	L	92.7	Very high	90.5	Very high	99 Å²	99	57.7 Å²	57.7	52%	0.518	32%	0.318	S	S	.	.	H	α-helix	trans	-60.4	-43.2	175.6	-68.5	175	0	0	0	111.8	I170 S171 I172 M176 G177	I170-L174 HydrophobicContact CG2-CD1 3.89Å; I170-L174 HydrophobicContact CG2-CG 4.23Å; I170-L174 WeakPolarHBondContact O-CG 3.45Å; I170-L174 PolarHBondContact O-N 2.85Å; S171-L174 PolarHBondContact O-N 2.87Å; I172-L174 PolarHBondContact O-N 3.27Å; L174-M176 VanDerWaalsContact C-N 3.3Å; L174-M176 PolarHBondContact O-N 2.6Å; L174-G177 PolarHBondContact O-N 3.02Å
175	L	93.3	Very high	90.5	Very high	154 Å²	154	56.4 Å²	56.4	81%	0.806	30%	0.303	S	S	*	.	H	α-helix	trans	-69.1	-26.7	178.1	-71.6	171.3	0	0	0	113.2	S171 I172 G173 G177	S171-L175 WeakPolarHBondContact O-CB 3.14Å; S171-L175 VanDerWaalsContact O-CG 3.23Å; S171-L175 WeakPolarHBondContact O-CG 3.3Å; S171-L175 PolarHBondContact O-N 3.07Å; I172-L175 PolarHBondContact O-N 3.14Å; G173-L175 VanDerWaalsContact C-N 3.34Å; G173-L175 PolarHBondContact O-N 3.38Å; L175-G177 PolarHBondContact O-N 2.82Å
176	M	93.2	Very high	90.5	Very high	66 Å²	66	57.9 Å²	57.9	33%	0.325	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-3	170.1	-71.6	177.1	72.7	0	0	113.2	I172 G173 L174 I178 T225 A228 W229 L232	I172-M176 HydrophobicContact CG2-CG 4.46Å; I172-M176 HydrophobicContact CG2-SD 4.08Å; I172-M176 VanDerWaalsContact O-CG 3.3Å; I172-M176 WeakPolarHBondContact O-CG 3.14Å; I172-M176 PolarHBondContact O-N 3.37Å; G173-M176 PolarHBondContact O-N 2.81Å; L174-M176 VanDerWaalsContact C-N 3.3Å; L174-M176 PolarHBondContact O-N 2.6Å; M176-I178 VanDerWaalsContact C-N 3.34Å; M176-I178 HydrophobicContact CB-CD1 3.84Å; M176-I178 HydrophobicContact CB-CG1 3.89Å; M176-I178 HydrophobicContact CE-CD1 3.99Å; M176-I178 HydrophobicContact SD-CD1 3.96Å; M176-T225 HydrophobicContact CE-CG2 4.48Å; M176-A228 HydrophobicContact CE-CB 3.84Å; M176-W229 HydrophobicContact CE-CB 4.2Å; M176-W229 VanDerWaalsContact SD-CA 3.54Å; M176-W229 HydrophobicContact SD-CB 3.7Å; M176-W229 HydrophobicContact SD-CG 4.03Å; M176-L232 HydrophobicContact CE-CD1 4.41Å; M176-L232 HydrophobicContact CG-CD1 3.94Å; M176-L232 HydrophobicContact SD-CD1 3.68Å
177	G	90.6	Very high	90.4	Very high	45 Å²	45	57.7 Å²	57.7	46%	0.464	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	21.7	-175.3	0	0	0	0	0	113.6	G173 L174 L175	G173-G177 PolarHBondContact O-N 3.08Å; L174-G177 PolarHBondContact O-N 3.02Å; L175-G177 PolarHBondContact O-N 2.82Å
178	I	89.5	Confident	90.4	Very high	19 Å²	19	54 Å²	54	10%	0.097	29%	0.291	C	S	.	.			trans	-85.2	114.4	-179.8	-58.6	169.5	0	0	0	109.2	G173 M176 V180 T221 T225 W229	G173-I178 VanDerWaalsContact O-CB 3.32Å; G173-I178 WeakPolarHBondContact O-CB 3.49Å; G173-I178 PolarHBondContact O-N 3.29Å; M176-I178 VanDerWaalsContact C-N 3.34Å; M176-I178 HydrophobicContact CB-CD1 3.84Å; M176-I178 HydrophobicContact CB-CG1 3.89Å; M176-I178 HydrophobicContact CE-CD1 3.99Å; M176-I178 HydrophobicContact SD-CD1 3.96Å; I178-V180 HydrophobicContact CG2-CG2 3.63Å; I178-V180 PolarHBondContact O-N 2.81Å; I178-T221 HydrophobicContact CG2-CG2 4.32Å; I178-T225 HydrophobicContact CD1-CG2 3.49Å; I178-T225 VanDerWaalsContact CD1-CG2 3.49Å; I178-T225 HydrophobicContact CG1-CG2 3.81Å; I178-W229 HydrophobicContact CD1-CB 4.27Å; I178-W229 HydrophobicContact CD1-CD2 4.01Å; I178-W229 HydrophobicContact CD1-CE3 3.61Å; I178-W229 HydrophobicContact CD1-CG 4.32Å; I178-W229 HydrophobicContact CD1-CZ3 4.24Å; I178-W229 HydrophobicContact CG2-CE3 4.38Å; I178-W229 HydrophobicContact CG2-CZ3 3.99Å
179	H	81.7	Confident	90.4	Very high	184 Å²	184	52 Å²	52	85%	0.852	28%	0.276	S	S	*	.			trans	-92.7	80.9	178.2	-61.2	-67.4	0	0	0	111
180	V	82.6	Confident	90.3	Very high	28 Å²	28	55.1 Å²	55.1	17%	0.17	29%	0.292	C	S	.	.			trans	-111.7	140.7	170.8	-177.1	0	0	0	0	109.1	I178 I182 V185 L216 T221	I178-V180 HydrophobicContact CG2-CG2 3.63Å; I178-V180 PolarHBondContact O-N 2.81Å; V180-I182 PolarHBondContact O-N 3.32Å; V180-V185 HydrophobicContact CB-CG2 3.92Å; V180-V185 HydrophobicContact CG1-CG2 3.43Å; V180-V185 VanDerWaalsContact CG1-CG2 3.43Å; V180-L216 HydrophobicContact CG1-CD2 4.47Å; V180-T221 WeakPolarHBondContact CG2-OG1 3.43Å
181	S	86.5	Confident	90.2	Very high	46 Å²	46	53.9 Å²	53.9	32%	0.322	29%	0.286	S	S	.	.			trans	-59.4	123	176.1	-177.9	0	0	0	0	110.1	R183 D184 V185	S181-R183 PolarHBondContact O-N 3.08Å; S181-R183 VanDerWaalsContact O-N 3.12Å; S181-R183 PolarHBondContact OG-N 3.06Å; S181-D184 PolarHBondContact O-N 3.13Å; S181-V185 PolarHBondContact O-N 3.34Å; S181-V185 VanDerWaalsContact O-N 3.13Å
182	I	86.6	Confident	90.2	Very high	90 Å²	90	51.7 Å²	51.7	46%	0.462	27%	0.27	S	S	.	.	H	α-helix	trans	-56	-31.4	175.3	-64.7	173.2	0	0	0	110.5	I170 V180 D184 V185 V186	I170-I182 HydrophobicContact CD1-CG2 4.16Å; I170-I182 HydrophobicContact CG2-CD1 4.44Å; I170-I182 HydrophobicContact CG2-CG1 4.35Å; V180-I182 PolarHBondContact O-N 3.32Å; I182-D184 PolarHBondContact O-N 2.82Å; I182-V185 PolarHBondContact O-N 2.93Å; I182-V186 HydrophobicContact CG2-CG2 3.71Å; I182-V186 WeakPolarHBondContact O-CB 3.47Å; I182-V186 VanDerWaalsContact O-CG2 3.24Å; I182-V186 WeakPolarHBondContact O-CG2 3.32Å; I182-V186 PolarHBondContact O-N 2.94Å
183	R	83.4	Confident	90.1	Very high	173 Å²	173	51.1 Å²	51.1	65%	0.653	27%	0.268	S	S	*	.	H	α-helix	trans	-63.5	-24.4	176.5	-62	-175.8	-175.3	-176.7	3.2	113.2	D108 S181 P187	D108-R183 IonicContact OD2-NH1 2.79Å; S181-R183 PolarHBondContact O-N 3.08Å; S181-R183 VanDerWaalsContact O-N 3.12Å; S181-R183 PolarHBondContact OG-N 3.06Å; R183-P187 WeakPolarHBondContact O-CD 3.47Å; R183-P187 WeakPolarHBondContact O-CG 3.22Å
184	D	88.4	Confident	90	Very high	17 Å²	17	52.5 Å²	52.5	9%	0.091	28%	0.276	C	S	.	.	H	α-helix	trans	-91.6	-39.4	175.6	-64.6	-36.7	0	0	0	112.1	H110 N111 L114 S181 I182 P187 L188 L219	H110-D184 IonicContact CD2-OD1 2.71Å; H110-D184 PolarHBondContact CD2-OD1 3.22Å; N111-D184 WeakPolarHBondContact CB-OD1 3.37Å; N111-D184 PolarHBondContact ND2-OD1 2.97Å; N111-D184 PolarHBondContact ND2-OD2 3.17Å; L114-D184 HydrophobicContact CD1-CB 4.01Å; S181-D184 PolarHBondContact O-N 3.13Å; I182-D184 PolarHBondContact O-N 2.82Å; D184-P187 WeakPolarHBondContact O-CD 3.37Å; D184-P187 WeakPolarHBondContact O-CG 3.38Å; D184-L188 WeakPolarHBondContact O-CB 3.29Å; D184-L188 PolarHBondContact O-N 3.44Å; D184-L219 HydrophobicContact CB-CD1 3.84Å; D184-L219 HydrophobicContact CB-CD2 4.23Å
185	V	91.5	Very high	90	Very high	4 Å²	4	49 Å²	49	2%	0.024	26%	0.258	C	S	.	.	H	α-helix	trans	-67	-43.7	-177.6	-179.3	0	0	0	0	111.7	F169 I170 V180 S181 I182 L188 F189 L216 W229	F169-V185 HydrophobicContact CD1-CG1 4.01Å; F169-V185 HydrophobicContact CE1-CG1 3.82Å; I170-V185 HydrophobicContact CG1-CG1 4.24Å; V180-V185 HydrophobicContact CB-CG2 3.92Å; V180-V185 HydrophobicContact CG1-CG2 3.43Å; V180-V185 VanDerWaalsContact CG1-CG2 3.43Å; S181-V185 PolarHBondContact O-N 3.34Å; S181-V185 VanDerWaalsContact O-N 3.13Å; I182-V185 PolarHBondContact O-N 2.93Å; V185-L188 PolarHBondContact O-N 3.45Å; V185-F189 WeakPolarHBondContact O-CB 3.41Å; V185-F189 PolarHBondContact O-N 2.81Å; V185-L216 HydrophobicContact CG2-CD2 4.25Å; V185-W229 HydrophobicContact CG1-CH2 4.47Å; V185-W229 HydrophobicContact CG2-CH2 4.46Å
186	V	92.1	Very high	89.8	Confident	40 Å²	40	41.7 Å²	41.7	24%	0.242	22%	0.22	C	C	.	.	H	α-helix	trans	-58.9	-55.4	-176.6	172.4	0	0	0	0	112.9	L166 I170 I182 L188 F189 I190	L166-V186 HydrophobicContact CD1-CG2 4.24Å; L166-V186 HydrophobicContact CD2-CG1 4.14Å; L166-V186 HydrophobicContact CD2-CG2 4.19Å; I170-V186 HydrophobicContact CD1-CG2 3.97Å; I182-V186 HydrophobicContact CG2-CG2 3.71Å; I182-V186 WeakPolarHBondContact O-CB 3.47Å; I182-V186 VanDerWaalsContact O-CG2 3.24Å; I182-V186 WeakPolarHBondContact O-CG2 3.32Å; I182-V186 PolarHBondContact O-N 2.94Å; V186-L188 VanDerWaalsContact C-N 3.31Å; V186-L188 PolarHBondContact O-N 2.98Å; V186-F189 PolarHBondContact O-N 2.93Å; V186-I190 HydrophobicContact CG1-CD1 3.86Å; V186-I190 VanDerWaalsContact O-CG1 3.31Å; V186-I190 WeakPolarHBondContact O-CG1 3.34Å; V186-I190 PolarHBondContact O-N 2.95Å
187	P	90.2	Very high	89.6	Confident	27 Å²	27	43 Å²	43	18%	0.175	23%	0.227	C	C	.	.	H	α-helix	trans	-64.2	-36.1	178.3	25.1	-34.9	0	0	0	112.3	L114 L121 R183 D184 I190 A191	L114-P187 HydrophobicContact CD1-CG 3.79Å; L121-P187 HydrophobicContact CD1-CB 3.96Å; L121-P187 HydrophobicContact CD2-CB 4.1Å; L121-P187 WeakPolarHBondContact CD2-O 3.39Å; R183-P187 WeakPolarHBondContact O-CD 3.47Å; R183-P187 WeakPolarHBondContact O-CG 3.22Å; D184-P187 WeakPolarHBondContact O-CD 3.37Å; D184-P187 WeakPolarHBondContact O-CG 3.38Å; P187-I190 PolarHBondContact O-N 3.48Å; P187-A191 WeakPolarHBondContact O-CB 3.4Å; P187-A191 PolarHBondContact O-N 3.45Å
188	L	92.4	Very high	89.5	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.2	-44.7	175.5	-179.1	62	0	0	0	111.5	L114 Y117 D184 V185 V186 A191 A192 M212 L216 L219	L114-L188 HydrophobicContact CD2-CB 3.93Å; L114-L188 HydrophobicContact CD2-CD1 4.35Å; Y117-L188 HydrophobicContact CE2-CD1 4.24Å; D184-L188 WeakPolarHBondContact O-CB 3.29Å; D184-L188 PolarHBondContact O-N 3.44Å; V185-L188 PolarHBondContact O-N 3.45Å; V186-L188 VanDerWaalsContact C-N 3.31Å; V186-L188 PolarHBondContact O-N 2.98Å; L188-A191 PolarHBondContact O-N 3.29Å; L188-A192 VanDerWaalsContact O-CB 3.3Å; L188-A192 WeakPolarHBondContact O-CB 3.47Å; L188-A192 PolarHBondContact O-N 3.37Å; L188-M212 HydrophobicContact CD2-CE 4.15Å; L188-M212 HydrophobicContact CD2-SD 4.25Å; L188-M212 HydrophobicContact CG-CE 4.31Å; L188-M212 HydrophobicContact CG-SD 3.91Å; L188-L216 HydrophobicContact CD2-CD2 4.04Å; L188-L216 HydrophobicContact CD2-CG 3.92Å; L188-L219 HydrophobicContact CD2-CD1 4.01Å
189	F	94	Very high	89.5	Confident	6 Å²	6	45.2 Å²	45.2	3%	0.026	24%	0.241	C	C	.	.	H	α-helix	trans	-61.1	-46.6	177.8	-178.5	-83	0	0	0	111.2	T165 L166 F169 V185 V186 A191 A192 T193 F208 F233	T165-F189 HydrophobicContact CG2-CZ 3.83Å; L166-F189 HydrophobicContact CB-CD1 4.39Å; L166-F189 HydrophobicContact CB-CE1 4.21Å; L166-F189 HydrophobicContact CD1-CB 3.94Å; L166-F189 HydrophobicContact CD1-CD1 3.59Å; L166-F189 HydrophobicContact CD1-CD2 4.31Å; L166-F189 HydrophobicContact CD1-CE1 4.2Å; L166-F189 HydrophobicContact CD1-CG 3.67Å; F169-F189 HydrophobicContact CB-CD2 4.07Å; F169-F189 HydrophobicContact CB-CE2 3.68Å; F169-F189 AromaticContact CD1-CD2 3.8Å; F169-F189 HydrophobicContact CD1-CD2 3.8Å; F169-F189 HydrophobicContact CD1-CE2 4.25Å; F169-F189 HydrophobicContact CD2-CD2 4.26Å; F169-F189 HydrophobicContact CD2-CE2 4.05Å; F169-F189 HydrophobicContact CE1-CD2 4.38Å; F169-F189 AromaticContact CG-CD2 3.75Å; F169-F189 HydrophobicContact CG-CD2 3.75Å; F169-F189 AromaticContact CG-CE2 3.71Å; F169-F189 HydrophobicContact CG-CE2 3.71Å; V185-F189 WeakPolarHBondContact O-CB 3.41Å; V185-F189 PolarHBondContact O-N 2.81Å; V186-F189 PolarHBondContact O-N 2.93Å; F189-A191 PolarHBondContact O-N 3.34Å; F189-A192 PolarHBondContact O-N 3.39Å; F189-T193 WeakPolarHBondContact CE1-OG1 3.39Å; F189-T193 WeakPolarHBondContact O-CB 3.22Å; F189-T193 PolarHBondContact O-N 2.95Å; F189-T193 PolarHBondContact O-OG1 2.98Å; F189-F208 AromaticContact CD2-CE2 3.83Å; F189-F208 HydrophobicContact CD2-CE2 3.83Å; F189-F208 AromaticContact CD2-CZ 3.67Å; F189-F208 HydrophobicContact CD2-CZ 3.67Å; F189-F208 AromaticContact CE2-CE2 3.7Å; F189-F208 HydrophobicContact CE2-CE2 3.7Å; F189-F208 AromaticContact CE2-CZ 3.45Å; F189-F208 HydrophobicContact CE2-CZ 3.45Å; F189-F208 VanDerWaalsContact CE2-CZ 3.45Å; F189-F208 HydrophobicContact CG-CE2 4.42Å; F189-F208 HydrophobicContact CZ-CE2 4.17Å; F189-F208 HydrophobicContact CZ-CZ 4.28Å; F189-F233 HydrophobicContact CE2-CZ 4.43Å
190	I	92.2	Very high	89.9	Confident	67 Å²	67	44.6 Å²	44.6	34%	0.344	24%	0.24	S	C	.	.	H	α-helix	trans	-60.7	-47.4	177	-66.1	166.2	0	0	0	110	L121 V186 P187 A192 T193 V194	L121-I190 HydrophobicContact CD2-CB 3.93Å; L121-I190 HydrophobicContact CD2-CG2 3.79Å; V186-I190 HydrophobicContact CG1-CD1 3.86Å; V186-I190 VanDerWaalsContact O-CG1 3.31Å; V186-I190 WeakPolarHBondContact O-CG1 3.34Å; V186-I190 PolarHBondContact O-N 2.95Å; P187-I190 PolarHBondContact O-N 3.48Å; I190-A192 PolarHBondContact O-N 3.21Å; I190-T193 WeakPolarHBondContact O-CB 3.33Å; I190-T193 PolarHBondContact O-N 3.33Å; I190-V194 HydrophobicContact CG2-CG2 4.4Å; I190-V194 VanDerWaalsContact O-CG2 3.26Å; I190-V194 WeakPolarHBondContact O-CG2 3.37Å; I190-V194 PolarHBondContact O-N 2.81Å
191	A	91.9	Very high	90.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.7	-45.3	178.5	0	0	0	0	0	112.1	Y117 W120 P187 L188 F189 T193 V194 I195	Y117-A191 HydrophobicContact CD1-CB 3.83Å; Y117-A191 HydrophobicContact CG-CB 3.87Å; W120-A191 HydrophobicContact CB-CB 4.25Å; P187-A191 WeakPolarHBondContact O-CB 3.4Å; P187-A191 PolarHBondContact O-N 3.45Å; L188-A191 PolarHBondContact O-N 3.29Å; F189-A191 PolarHBondContact O-N 3.34Å; A191-T193 VanDerWaalsContact C-N 3.32Å; A191-T193 PolarHBondContact O-N 3.1Å; A191-V194 PolarHBondContact O-N 3.32Å; A191-I195 WeakPolarHBondContact O-CB 3.32Å; A191-I195 WeakPolarHBondContact O-CD1 3.31Å; A191-I195 VanDerWaalsContact O-CG1 3.22Å; A191-I195 WeakPolarHBondContact O-CG1 3.45Å; A191-I195 PolarHBondContact O-N 3.48Å
192	A	94.4	Very high	89.9	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.7	-41.1	177.3	0	0	0	0	0	112.3	L188 F189 I190 I195 G196 F208 M211 M212	L188-A192 VanDerWaalsContact O-CB 3.3Å; L188-A192 WeakPolarHBondContact O-CB 3.47Å; L188-A192 PolarHBondContact O-N 3.37Å; F189-A192 PolarHBondContact O-N 3.39Å; I190-A192 PolarHBondContact O-N 3.21Å; A192-I195 PolarHBondContact O-N 3.49Å; A192-G196 PolarHBondContact O-N 3.43Å; A192-F208 HydrophobicContact CB-CD2 3.74Å; A192-F208 HydrophobicContact CB-CE2 3.95Å; A192-M211 HydrophobicContact CB-CB 3.75Å; A192-M211 HydrophobicContact CB-CG 3.71Å; A192-M212 HydrophobicContact CB-CG 4.01Å; A192-M212 HydrophobicContact CB-SD 3.66Å
193	T	92.1	Very high	89.7	Confident	8 Å²	8	47.7 Å²	47.7	5%	0.049	27%	0.267	C	S	.	.	H	α-helix	trans	-63.8	-49.3	176.2	-57.8	0	0	0	0	111	W162 F189 I190 A191 I195 G196 I197	W162-T193 HydrophobicContact CE3-CG2 4.15Å; W162-T193 HydrophobicContact CH2-CG2 3.6Å; W162-T193 HydrophobicContact CZ3-CG2 3.2Å; F189-T193 WeakPolarHBondContact CE1-OG1 3.39Å; F189-T193 WeakPolarHBondContact O-CB 3.22Å; F189-T193 PolarHBondContact O-N 2.95Å; F189-T193 PolarHBondContact O-OG1 2.98Å; I190-T193 WeakPolarHBondContact O-CB 3.33Å; I190-T193 PolarHBondContact O-N 3.33Å; A191-T193 VanDerWaalsContact C-N 3.32Å; A191-T193 PolarHBondContact O-N 3.1Å; T193-I195 VanDerWaalsContact C-N 3.3Å; T193-I195 PolarHBondContact O-N 3.42Å; T193-G196 CarbonylContact O-C 3.45Å; T193-G196 WeakPolarHBondContact O-CA 3.45Å; T193-G196 PolarHBondContact O-N 3.39Å; T193-I197 HydrophobicContact CG2-CD1 4.15Å; T193-I197 WeakPolarHBondContact O-CG1 3.48Å; T193-I197 PolarHBondContact O-N 2.88Å
194	V	91.1	Very high	89.9	Confident	29 Å²	29	40.7 Å²	40.7	18%	0.176	24%	0.242	C	C	.	.	H	α-helix	trans	-60.9	-41.8	179.1	175.7	0	0	0	0	111	W120 I190 A191 G196 I197 A198	W120-V194 HydrophobicContact CE3-CG1 3.84Å; W120-V194 HydrophobicContact CZ3-CG1 4.49Å; I190-V194 HydrophobicContact CG2-CG2 4.4Å; I190-V194 VanDerWaalsContact O-CG2 3.26Å; I190-V194 WeakPolarHBondContact O-CG2 3.37Å; I190-V194 PolarHBondContact O-N 2.81Å; A191-V194 PolarHBondContact O-N 3.32Å; V194-G196 VanDerWaalsContact C-N 3.31Å; V194-I197 PolarHBondContact O-N 3.02Å; V194-A198 WeakPolarHBondContact O-CB 3.32Å; V194-A198 PolarHBondContact O-N 3.26Å
195	I	91.7	Very high	89.8	Confident	27 Å²	27	45.6 Å²	45.6	14%	0.138	27%	0.268	C	S	.	.	H	α-helix	trans	-65	-38.5	174.4	-67	168	0	0	0	110.6	Y117 W120 A191 A192 T193 A198 S199 M211	Y117-I195 HydrophobicContact CD1-CD1 4.31Å; Y117-I195 HydrophobicContact CE1-CD1 4.25Å; W120-I195 HydrophobicContact CD2-CD1 4.01Å; W120-I195 HydrophobicContact CD2-CG1 3.57Å; W120-I195 HydrophobicContact CE3-CG1 3.71Å; W120-I195 HydrophobicContact CG-CD1 4.12Å; W120-I195 HydrophobicContact CG-CG1 4.08Å; W120-I195 HydrophobicContact CH2-CG1 4.09Å; W120-I195 HydrophobicContact CZ2-CD1 4.39Å; W120-I195 HydrophobicContact CZ2-CG1 3.97Å; W120-I195 HydrophobicContact CZ3-CG1 3.97Å; A191-I195 WeakPolarHBondContact O-CB 3.32Å; A191-I195 WeakPolarHBondContact O-CD1 3.31Å; A191-I195 VanDerWaalsContact O-CG1 3.22Å; A191-I195 WeakPolarHBondContact O-CG1 3.45Å; A191-I195 PolarHBondContact O-N 3.48Å; A192-I195 PolarHBondContact O-N 3.49Å; T193-I195 VanDerWaalsContact C-N 3.3Å; T193-I195 PolarHBondContact O-N 3.42Å; I195-A198 PolarHBondContact O-N 3.27Å; I195-S199 PolarHBondContact O-N 2.63Å; I195-M211 HydrophobicContact CD1-CE 3.55Å; I195-M211 HydrophobicContact CD1-CG 4.29Å; I195-M211 HydrophobicContact CD1-SD 4.21Å; I195-M211 HydrophobicContact CG2-CE 4.26Å
196	G	90.8	Very high	89.7	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-57.2	-51.5	173.2	0	0	0	0	0	112.3	A192 T193 V194 A198 S199 S207	A192-G196 PolarHBondContact O-N 3.43Å; T193-G196 CarbonylContact O-C 3.45Å; T193-G196 WeakPolarHBondContact O-CA 3.45Å; T193-G196 PolarHBondContact O-N 3.39Å; V194-G196 VanDerWaalsContact C-N 3.31Å; G196-A198 VanDerWaalsContact C-N 3.35Å; G196-A198 PolarHBondContact O-N 2.95Å; G196-S199 WeakPolarHBondContact O-CB 3.23Å; G196-S199 PolarHBondContact O-N 2.91Å; G196-S199 VanDerWaalsContact O-N 3.16Å; G196-S199 PolarHBondContact O-OG 3.46Å; G196-S207 WeakPolarHBondContact CA-OG 3.17Å
197	I	88.3	Confident	89.6	Confident	93 Å²	93	46.1 Å²	46.1	48%	0.477	28%	0.279	S	S	.	.	H	α-helix	trans	-60.2	-45.6	175.5	-63.4	167	0	0	0	110.6	W162 T193 V194 S199 M200	W162-I197 HydrophobicContact CH2-CD1 3.85Å; W162-I197 HydrophobicContact CZ2-CD1 4.22Å; T193-I197 HydrophobicContact CG2-CD1 4.15Å; T193-I197 WeakPolarHBondContact O-CG1 3.48Å; T193-I197 PolarHBondContact O-N 2.88Å; V194-I197 PolarHBondContact O-N 3.02Å; I197-S199 PolarHBondContact O-N 3.35Å; I197-M200 PolarHBondContact O-N 2.71Å
198	A	88.7	Confident	89.8	Confident	64 Å²	64	45 Å²	45	53%	0.529	27%	0.271	S	S	.	.	H	α-helix	trans	-62.3	-24.8	179.4	0	0	0	0	0	113.1	W120 V194 I195 G196 M200	W120-A198 HydrophobicContact CZ3-CB 4.24Å; V194-A198 WeakPolarHBondContact O-CB 3.32Å; V194-A198 PolarHBondContact O-N 3.26Å; I195-A198 PolarHBondContact O-N 3.27Å; G196-A198 VanDerWaalsContact C-N 3.35Å; G196-A198 PolarHBondContact O-N 2.95Å; A198-M200 VanDerWaalsContact C-N 3.27Å; A198-M200 PolarHBondContact O-N 2.95Å
199	S	89.5	Confident	89.9	Confident	46 Å²	46	46.1 Å²	46.1	32%	0.322	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-17	175.6	81.4	0	0	0	0	113.9	I195 G196 I197 I201 S207	I195-S199 PolarHBondContact O-N 2.63Å; G196-S199 WeakPolarHBondContact O-CB 3.23Å; G196-S199 PolarHBondContact O-N 2.91Å; G196-S199 VanDerWaalsContact O-N 3.16Å; G196-S199 PolarHBondContact O-OG 3.46Å; I197-S199 PolarHBondContact O-N 3.35Å; S199-I201 PolarHBondContact O-N 2.98Å; S199-I201 VanDerWaalsContact O-N 3.08Å; S199-I201 WeakPolarHBondContact OG-CG1 3.43Å; S199-I201 PolarHBondContact OG-N 3.31Å; S199-S207 PolarHBondContact OG-OG 3.42Å; S199-S207 VanDerWaalsContact OG-OG 3.14Å
200	M	89.9	Confident	90	Very high	172 Å²	172	50.7 Å²	50.7	85%	0.847	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	16.8	-173.9	-54.8	-178.2	70	0	0	114.5	I197 A198	I197-M200 PolarHBondContact O-N 2.71Å; A198-M200 VanDerWaalsContact C-N 3.27Å; A198-M200 PolarHBondContact O-N 2.95Å
201	I	86.9	Confident	90	Very high	76 Å²	76	49 Å²	49	39%	0.39	29%	0.293	S	S	.	.			trans	-76.2	128.3	174.7	-59.2	171.5	0	0	0	108.5	S199 G203 E204 L205	S199-I201 PolarHBondContact O-N 2.98Å; S199-I201 VanDerWaalsContact O-N 3.08Å; S199-I201 WeakPolarHBondContact OG-CG1 3.43Å; S199-I201 PolarHBondContact OG-N 3.31Å; I201-G203 PolarHBondContact O-N 3.06Å; I201-E204 PolarHBondContact O-N 3.44Å; I201-L205 HydrophobicContact CG2-CB 4.34Å; I201-L205 WeakPolarHBondContact CG2-O 3.49Å
202	P	82	Confident	90.2	Very high	117 Å²	117	49 Å²	49	76%	0.76	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-54.9	126.7	177.3	-26.6	34.8	0	0	0	112.2	E204	P202-E204 PolarHBondContact O-N 2.77Å
203	G	82.1	Confident	90.3	Very high	36 Å²	36	50.6 Å²	50.6	37%	0.371	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	66.7	15.8	-178.1	0	0	0	0	0	114.4	I201 L205 R234	I201-G203 PolarHBondContact O-N 3.06Å; G203-L205 PolarHBondContact O-N 3.33Å; G203-L205 VanDerWaalsContact O-N 3.08Å; G203-R234 PolarHBondContact O-NH1 2.96Å
204	E	88.3	Confident	90.3	Very high	26 Å²	26	53.6 Å²	53.6	12%	0.121	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	57.2	26.5	179.6	-49.9	172.7	-168.1	0	0	112.7	I201 P202 G206 S207 F208 R234	I201-E204 PolarHBondContact O-N 3.44Å; P202-E204 PolarHBondContact O-N 2.77Å; E204-G206 PolarHBondContact O-N 2.7Å; E204-S207 PolarHBondContact O-OG 2.85Å; E204-F208 HydrophobicContact CB-CB 3.88Å; E204-F208 WeakPolarHBondContact O-CB 3.41Å; E204-F208 PolarHBondContact O-N 3.48Å; E204-R234 PolarHBondContact O-NH2 2.81Å
205	L	84.9	Confident	90.4	Very high	120 Å²	120	52.2 Å²	52.2	63%	0.628	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	124.1	-171.4	-167.8	139.9	0	0	0	110	I201 G203 S207	I201-L205 HydrophobicContact CG2-CB 4.34Å; I201-L205 WeakPolarHBondContact CG2-O 3.49Å; G203-L205 PolarHBondContact O-N 3.33Å; G203-L205 VanDerWaalsContact O-N 3.08Å; L205-S207 VanDerWaalsContact C-N 3.34Å; L205-S207 PolarHBondContact O-N 2.87Å
206	G	89.6	Confident	90.5	Very high	36 Å²	36	51 Å²	51	37%	0.371	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.3	-49.8	-177.4	0	0	0	0	0	113.7	E204 D209 L210	E204-G206 PolarHBondContact O-N 2.7Å; G206-D209 PolarHBondContact N-OD2 3.4Å; G206-L210 WeakPolarHBondContact O-CB 3.47Å; G206-L210 PolarHBondContact O-N 3.39Å
207	S	91.6	Very high	90.6	Very high	18 Å²	18	52.7 Å²	52.7	13%	0.126	31%	0.313	C	S	.	.	H	α-helix	trans	-69.2	-47.3	-177.1	49.2	0	0	0	0	113	G196 S199 E204 L205 M211	G196-S207 WeakPolarHBondContact CA-OG 3.17Å; S199-S207 PolarHBondContact OG-OG 3.42Å; S199-S207 VanDerWaalsContact OG-OG 3.14Å; E204-S207 PolarHBondContact O-OG 2.85Å; L205-S207 VanDerWaalsContact C-N 3.34Å; L205-S207 PolarHBondContact O-N 2.87Å; S207-M211 PolarHBondContact O-N 2.92Å
208	F	94.1	Very high	90.7	Very high	3 Å²	3	51 Å²	51	1%	0.013	31%	0.312	C	S	.	.	H	α-helix	trans	-63	-47.3	174.2	171.3	-89.7	0	0	0	110	F169 F189 A192 E204 L210 M211 M212 L230 F233	F169-F208 HydrophobicContact CD2-CZ 4.48Å; F169-F208 HydrophobicContact CE2-CZ 4.44Å; F189-F208 AromaticContact CD2-CE2 3.83Å; F189-F208 HydrophobicContact CD2-CE2 3.83Å; F189-F208 AromaticContact CD2-CZ 3.67Å; F189-F208 HydrophobicContact CD2-CZ 3.67Å; F189-F208 AromaticContact CE2-CE2 3.7Å; F189-F208 HydrophobicContact CE2-CE2 3.7Å; F189-F208 AromaticContact CE2-CZ 3.45Å; F189-F208 HydrophobicContact CE2-CZ 3.45Å; F189-F208 VanDerWaalsContact CE2-CZ 3.45Å; F189-F208 HydrophobicContact CG-CE2 4.42Å; F189-F208 HydrophobicContact CZ-CE2 4.17Å; F189-F208 HydrophobicContact CZ-CZ 4.28Å; A192-F208 HydrophobicContact CB-CD2 3.74Å; A192-F208 HydrophobicContact CB-CE2 3.95Å; E204-F208 HydrophobicContact CB-CB 3.88Å; E204-F208 WeakPolarHBondContact O-CB 3.41Å; E204-F208 PolarHBondContact O-N 3.48Å; F208-L210 PolarHBondContact O-N 2.95Å; F208-M211 PolarHBondContact O-N 3.07Å; F208-M212 HydrophobicContact CD1-CG 4.09Å; F208-M212 HydrophobicContact CD2-CG 4.38Å; F208-M212 HydrophobicContact CE1-CG 3.64Å; F208-M212 HydrophobicContact CE2-CG 3.95Å; F208-M212 HydrophobicContact CE2-SD 4.33Å; F208-M212 HydrophobicContact CG-CG 4.43Å; F208-M212 HydrophobicContact CZ-CG 3.54Å; F208-M212 HydrophobicContact CZ-SD 4.2Å; F208-M212 WeakPolarHBondContact O-CG 3.28Å; F208-M212 PolarHBondContact O-N 3.46Å; F208-L230 HydrophobicContact CD1-CD2 4.21Å; F208-L230 HydrophobicContact CE1-CD2 3.69Å; F208-F233 HydrophobicContact CE1-CD1 4.24Å; F208-F233 AromaticContact CE1-CE1 4Å; F208-F233 HydrophobicContact CE1-CE1 4Å; F208-F233 HydrophobicContact CZ-CE1 4.31Å
209	D	94.5	Very high	90.6	Very high	25 Å²	25	49.6 Å²	49.6	13%	0.134	30%	0.296	C	S	.	.	H	α-helix	trans	-62.1	-43.8	-176.3	-51.3	-66.3	0	0	0	111.2	G206 M211 M212 I213 L230 R234	G206-D209 PolarHBondContact N-OD2 3.4Å; D209-M211 PolarHBondContact O-N 3.37Å; D209-M212 PolarHBondContact O-N 3.29Å; D209-I213 WeakPolarHBondContact O-CB 3.44Å; D209-I213 WeakPolarHBondContact O-CD1 3.2Å; D209-I213 WeakPolarHBondContact O-CG1 3.14Å; D209-I213 PolarHBondContact O-N 3.45Å; D209-L230 HydrophobicContact CB-CD1 4.14Å; D209-L230 WeakPolarHBondContact O-CD1 3.24Å; D209-R234 VanDerWaalsContact CG-NH2 3.3Å; D209-R234 IonicContact OD1-CZ 2.87Å; D209-R234 IonicContact OD1-NE 3.29Å; D209-R234 PolarHBondContact OD1-NE 3.28Å; D209-R234 IonicContact OD1-NH2 2.71Å; D209-R234 PolarHBondContact OD1-NH2 2.7Å; D209-R234 VanDerWaalsContact OD1-NH2 3.13Å; D209-R234 IonicContact OD2-CZ 3.91Å; D209-R234 IonicContact OD2-NE 3.12Å; D209-R234 IonicContact OD2-NH2 3.08Å; D209-R234 PolarHBondContact OD2-NH2 2.89Å
210	L	94.6	Very high	90.6	Very high	101 Å²	101	50.5 Å²	50.5	53%	0.529	31%	0.312	S	S	.	.	H	α-helix	trans	-61.4	-45	176.4	-179.6	63.3	0	0	0	111.5	G206 F208 M212 I213 I214	G206-L210 WeakPolarHBondContact O-CB 3.47Å; G206-L210 PolarHBondContact O-N 3.39Å; F208-L210 PolarHBondContact O-N 2.95Å; L210-M212 VanDerWaalsContact C-N 3.34Å; L210-M212 PolarHBondContact O-N 2.67Å; L210-I213 PolarHBondContact O-N 3.05Å; L210-I214 HydrophobicContact CD1-CD1 3.82Å; L210-I214 HydrophobicContact CD1-CG1 4.21Å; L210-I214 HydrophobicContact CG-CD1 3.87Å; L210-I214 VanDerWaalsContact O-CG1 3.29Å; L210-I214 WeakPolarHBondContact O-CG1 3.23Å; L210-I214 PolarHBondContact O-N 3.36Å
211	M	94.1	Very high	90.7	Very high	33 Å²	33	42.9 Å²	42.9	16%	0.163	28%	0.275	C	S	.	.	H	α-helix	trans	-65.1	-40.3	179.9	-168.4	57.8	59.2	0	0	111.6	Y117 A192 I195 S207 F208 D209 G215	Y117-M211 HydrophobicContact CE1-CE 4.33Å; Y117-M211 HydrophobicContact CE1-CG 4.47Å; Y117-M211 HydrophobicContact CE1-SD 3.46Å; Y117-M211 WeakPolarHBondContact CE1-SD 3.36Å; Y117-M211 PolarHBondContact OH-SD 3.45Å; A192-M211 HydrophobicContact CB-CB 3.75Å; A192-M211 HydrophobicContact CB-CG 3.71Å; I195-M211 HydrophobicContact CD1-CE 3.55Å; I195-M211 HydrophobicContact CD1-CG 4.29Å; I195-M211 HydrophobicContact CD1-SD 4.21Å; I195-M211 HydrophobicContact CG2-CE 4.26Å; S207-M211 PolarHBondContact O-N 2.92Å; F208-M211 PolarHBondContact O-N 3.07Å; D209-M211 PolarHBondContact O-N 3.37Å; M211-G215 PolarHBondContact O-N 3.22Å
212	M	95.3	Very high	91	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-67.5	-40.5	175.2	-68.9	-51.7	-66.1	0	0	112.2	F169 L188 A192 F208 D209 L210 L216 L230	F169-M212 HydrophobicContact CE1-CE 3.56Å; F169-M212 HydrophobicContact CE2-CE 4.36Å; F169-M212 HydrophobicContact CZ-CE 3.44Å; F169-M212 VanDerWaalsContact CZ-CE 3.44Å; L188-M212 HydrophobicContact CD2-CE 4.15Å; L188-M212 HydrophobicContact CD2-SD 4.25Å; L188-M212 HydrophobicContact CG-CE 4.31Å; L188-M212 HydrophobicContact CG-SD 3.91Å; A192-M212 HydrophobicContact CB-CG 4.01Å; A192-M212 HydrophobicContact CB-SD 3.66Å; F208-M212 HydrophobicContact CD1-CG 4.09Å; F208-M212 HydrophobicContact CD2-CG 4.38Å; F208-M212 HydrophobicContact CE1-CG 3.64Å; F208-M212 HydrophobicContact CE2-CG 3.95Å; F208-M212 HydrophobicContact CE2-SD 4.33Å; F208-M212 HydrophobicContact CG-CG 4.43Å; F208-M212 HydrophobicContact CZ-CG 3.54Å; F208-M212 HydrophobicContact CZ-SD 4.2Å; F208-M212 WeakPolarHBondContact O-CG 3.28Å; F208-M212 PolarHBondContact O-N 3.46Å; D209-M212 PolarHBondContact O-N 3.29Å; L210-M212 VanDerWaalsContact C-N 3.34Å; L210-M212 PolarHBondContact O-N 2.67Å; M212-L216 HydrophobicContact CE-CD1 3.69Å; M212-L216 HydrophobicContact CE-CD2 4.45Å; M212-L216 HydrophobicContact CE-CG 3.96Å; M212-L216 VanDerWaalsContact O-CB 3.27Å; M212-L216 WeakPolarHBondContact O-CB 3.32Å; M212-L216 WeakPolarHBondContact O-CG 3.28Å; M212-L216 PolarHBondContact O-N 2.84Å; M212-L230 HydrophobicContact CB-CD1 4.11Å; M212-L230 HydrophobicContact CB-CD2 3.87Å; M212-L230 HydrophobicContact CB-CG 4.45Å; M212-L230 HydrophobicContact CG-CD2 4.21Å
213	I	95.5	Very high	91.6	Very high	32 Å²	32	44.5 Å²	44.5	16%	0.164	27%	0.27	C	S	.	.	H	α-helix	trans	-58.9	-52.9	174.1	-71.5	163.4	0	0	0	110.2	D209 L210 S217 R223 V226 V227 L230	D209-I213 WeakPolarHBondContact O-CB 3.44Å; D209-I213 WeakPolarHBondContact O-CD1 3.2Å; D209-I213 WeakPolarHBondContact O-CG1 3.14Å; D209-I213 PolarHBondContact O-N 3.45Å; L210-I213 PolarHBondContact O-N 3.05Å; I213-S217 WeakPolarHBondContact O-CB 3.48Å; I213-S217 PolarHBondContact O-N 3.25Å; I213-S217 VanDerWaalsContact O-N 3.08Å; I213-S217 PolarHBondContact O-OG 3.34Å; I213-R223 HydrophobicContact CG2-CG 4.08Å; I213-V226 HydrophobicContact CG1-CG1 4.1Å; I213-V227 HydrophobicContact CD1-CG2 3.99Å; I213-V227 HydrophobicContact CG1-CG2 4.2Å; I213-L230 HydrophobicContact CD1-CD1 4.12Å; I213-L230 HydrophobicContact CG1-CD1 3.61Å
214	I	93.7	Very high	92.2	Very high	72 Å²	72	49.7 Å²	49.7	37%	0.369	29%	0.285	S	S	.	.	H	α-helix	trans	-64.6	-46.6	-177.8	-63.5	169.9	0	0	0	109.9	Y113 L210 A218	Y113-I214 WeakPolarHBondContact OH-CG2 3.47Å; L210-I214 HydrophobicContact CD1-CD1 3.82Å; L210-I214 HydrophobicContact CD1-CG1 4.21Å; L210-I214 HydrophobicContact CG-CD1 3.87Å; L210-I214 VanDerWaalsContact O-CG1 3.29Å; L210-I214 WeakPolarHBondContact O-CG1 3.23Å; L210-I214 PolarHBondContact O-N 3.36Å; I214-A218 WeakPolarHBondContact O-CB 3.3Å; I214-A218 PolarHBondContact O-N 3.44Å
215	G	92.7	Very high	92.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-66.9	-51.4	-176.2	0	0	0	0	0	113.9	M211 S217 A218 L219	M211-G215 PolarHBondContact O-N 3.22Å; G215-S217 VanDerWaalsContact C-N 3.29Å; G215-S217 PolarHBondContact O-N 3.34Å; G215-A218 PolarHBondContact O-N 2.91Å; G215-L219 VanDerWaalsContact O-CG 3.3Å; G215-L219 WeakPolarHBondContact O-CG 3.35Å; G215-L219 PolarHBondContact O-N 3.45Å
216	L	93.5	Very high	93	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-67.9	-31.3	179.2	-69.4	171.5	0	0	0	111.9	F169 V180 V185 L188 M212 L219 G220 T221 V226 W229	F169-L216 HydrophobicContact CZ-CD1 4.2Å; V180-L216 HydrophobicContact CG1-CD2 4.47Å; V185-L216 HydrophobicContact CG2-CD2 4.25Å; L188-L216 HydrophobicContact CD2-CD2 4.04Å; L188-L216 HydrophobicContact CD2-CG 3.92Å; M212-L216 HydrophobicContact CE-CD1 3.69Å; M212-L216 HydrophobicContact CE-CD2 4.45Å; M212-L216 HydrophobicContact CE-CG 3.96Å; M212-L216 VanDerWaalsContact O-CB 3.27Å; M212-L216 WeakPolarHBondContact O-CB 3.32Å; M212-L216 WeakPolarHBondContact O-CG 3.28Å; M212-L216 PolarHBondContact O-N 2.84Å; L216-L219 HydrophobicContact CD2-CD1 4.31Å; L216-L219 CarbonylContact O-C 3.59Å; L216-L219 PolarHBondContact O-N 2.98Å; L216-G220 PolarHBondContact O-N 2.89Å; L216-T221 WeakPolarHBondContact O-CB 3.23Å; L216-T221 PolarHBondContact O-N 3.48Å; L216-T221 PolarHBondContact O-OG1 3.12Å; L216-V226 HydrophobicContact CB-CB 4.49Å; L216-V226 HydrophobicContact CB-CG1 4.06Å; L216-V226 HydrophobicContact CB-CG2 3.55Å; L216-V226 HydrophobicContact CD1-CG1 3.75Å; L216-V226 HydrophobicContact CD1-CG2 4.25Å; L216-V226 HydrophobicContact CG-CG1 4.5Å; L216-W229 HydrophobicContact CD1-CE3 3.94Å; L216-W229 HydrophobicContact CD1-CZ3 3.88Å; L216-W229 HydrophobicContact CD2-CZ3 4.34Å
217	S	92.3	Very high	93.3	Very high	37 Å²	37	45.8 Å²	45.8	26%	0.259	26%	0.26	S	S	.	.	H	α-helix	trans	-65.3	-41.3	172	-56.8	0	0	0	0	111.8	I213 G215 L219 G220 T221	I213-S217 WeakPolarHBondContact O-CB 3.48Å; I213-S217 PolarHBondContact O-N 3.25Å; I213-S217 VanDerWaalsContact O-N 3.08Å; I213-S217 PolarHBondContact O-OG 3.34Å; G215-S217 VanDerWaalsContact C-N 3.29Å; G215-S217 PolarHBondContact O-N 3.34Å; S217-L219 PolarHBondContact O-N 2.92Å; S217-G220 PolarHBondContact O-N 3.35Å; S217-T221 WeakPolarHBondContact CA-O 3.38Å
218	A	90	Very high	93.5	Very high	56 Å²	56	46.8 Å²	46.8	46%	0.463	27%	0.27	S	S	.	.	H	α-helix	trans	-65.7	-26.5	175.5	0	0	0	0	0	112.7	Y113 I214 G215 G220	Y113-A218 HydrophobicContact CD1-CB 4.08Å; Y113-A218 HydrophobicContact CD2-CB 3.68Å; Y113-A218 HydrophobicContact CE1-CB 3.92Å; Y113-A218 HydrophobicContact CE2-CB 3.49Å; Y113-A218 VanDerWaalsContact CE2-CB 3.49Å; Y113-A218 HydrophobicContact CG-CB 3.98Å; I214-A218 WeakPolarHBondContact O-CB 3.3Å; I214-A218 PolarHBondContact O-N 3.44Å; G215-A218 PolarHBondContact O-N 2.91Å; A218-G220 PolarHBondContact O-N 3.38Å
219	L	88.4	Confident	93.6	Very high	36 Å²	36	47 Å²	47	19%	0.188	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	3.1	172.4	-63.4	172.2	0	0	0	113.5	N111 D184 L188 G215 L216 S217	N111-L219 WeakPolarHBondContact ND2-CD2 3.33Å; D184-L219 HydrophobicContact CB-CD1 3.84Å; D184-L219 HydrophobicContact CB-CD2 4.23Å; L188-L219 HydrophobicContact CD2-CD1 4.01Å; G215-L219 VanDerWaalsContact O-CG 3.3Å; G215-L219 WeakPolarHBondContact O-CG 3.35Å; G215-L219 PolarHBondContact O-N 3.45Å; L216-L219 HydrophobicContact CD2-CD1 4.31Å; L216-L219 CarbonylContact O-C 3.59Å; L216-L219 PolarHBondContact O-N 2.98Å; S217-L219 PolarHBondContact O-N 2.92Å
220	G	89.1	Confident	93.7	Very high	64 Å²	64	46.1 Å²	46.1	66%	0.66	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.4	5.7	174	0	0	0	0	0	115.8	L216 S217 A218	L216-G220 PolarHBondContact O-N 2.89Å; S217-G220 PolarHBondContact O-N 3.35Å; A218-G220 PolarHBondContact O-N 3.38Å
221	T	92	Very high	93.7	Very high	12 Å²	12	47 Å²	47	7%	0.074	27%	0.27	C	S	.	.			trans	-81.4	127.5	175.1	-51.3	0	0	0	0	110.1	I178 V180 L216 S217 R223 T225 V226	I178-T221 HydrophobicContact CG2-CG2 4.32Å; V180-T221 WeakPolarHBondContact CG2-OG1 3.43Å; L216-T221 WeakPolarHBondContact O-CB 3.23Å; L216-T221 PolarHBondContact O-N 3.48Å; L216-T221 PolarHBondContact O-OG1 3.12Å; S217-T221 WeakPolarHBondContact CA-O 3.38Å; T221-R223 PolarHBondContact O-N 3.45Å; T221-T225 HydrophobicContact CG2-CG2 4.16Å; T221-V226 HydrophobicContact CG2-CG2 3.56Å
222	P	93.4	Very high	93.8	Very high	67 Å²	67	48.3 Å²	48.3	44%	0.435	28%	0.278	S	S	.	.			trans	-55.8	139.8	178.7	-25	33.7	0	0	0	112.4	E224 T225 V226	P222-E224 VanDerWaalsContact C-N 3.33Å; P222-E224 HydrophobicContact CB-CG 4.47Å; P222-E224 PolarHBondContact O-N 3.26Å; P222-T225 WeakPolarHBondContact O-CB 3.27Å; P222-T225 PolarHBondContact O-N 3.02Å; P222-V226 PolarHBondContact O-N 3.23Å
223	R	94	Very high	93.7	Very high	160 Å²	160	48.5 Å²	48.5	60%	0.604	28%	0.279	S	S	*	.	H	α-helix	trans	-58.9	-42	-174.5	178.5	178.2	-81.5	-170.4	-4	112	I213 T221 T225 V226 V227	I213-R223 HydrophobicContact CG2-CG 4.08Å; T221-R223 PolarHBondContact O-N 3.45Å; R223-T225 VanDerWaalsContact C-N 3.27Å; R223-T225 PolarHBondContact O-N 3.24Å; R223-V226 PolarHBondContact O-N 3.14Å; R223-V227 HydrophobicContact CG-CG2 4.41Å; R223-V227 WeakPolarHBondContact O-CG2 3.34Å; R223-V227 PolarHBondContact O-N 2.92Å
224	E	94.7	Very high	93.6	Very high	146 Å²	146	48.6 Å²	48.6	68%	0.682	28%	0.277	S	S	*	.	H	α-helix	trans	-58.3	-39	175.7	56.1	-93.9	-157.2	0	0	112.6	P222 V227 A228	P222-E224 VanDerWaalsContact C-N 3.33Å; P222-E224 HydrophobicContact CB-CG 4.47Å; P222-E224 PolarHBondContact O-N 3.26Å; E224-V227 PolarHBondContact O-N 3.41Å; E224-A228 WeakPolarHBondContact O-CB 3.29Å; E224-A228 PolarHBondContact O-N 3.21Å
225	T	95.2	Very high	93.6	Very high	43 Å²	43	48.2 Å²	48.2	26%	0.264	28%	0.275	S	S	.	.	H	α-helix	trans	-68.1	-41.9	178.3	-52.4	0	0	0	0	111.3	M176 I178 T221 P222 R223 A228 W229	M176-T225 HydrophobicContact CE-CG2 4.48Å; I178-T225 HydrophobicContact CD1-CG2 3.49Å; I178-T225 VanDerWaalsContact CD1-CG2 3.49Å; I178-T225 HydrophobicContact CG1-CG2 3.81Å; T221-T225 HydrophobicContact CG2-CG2 4.16Å; P222-T225 WeakPolarHBondContact O-CB 3.27Å; P222-T225 PolarHBondContact O-N 3.02Å; R223-T225 VanDerWaalsContact C-N 3.27Å; R223-T225 PolarHBondContact O-N 3.24Å; T225-A228 PolarHBondContact O-N 3.07Å; T225-W229 WeakPolarHBondContact O-CB 3.33Å; T225-W229 PolarHBondContact O-N 3.19Å
226	V	95.7	Very high	93.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-64	-42.6	176.5	-178.3	0	0	0	0	111.2	I213 L216 T221 P222 R223 W229 L230	I213-V226 HydrophobicContact CG1-CG1 4.1Å; L216-V226 HydrophobicContact CB-CB 4.49Å; L216-V226 HydrophobicContact CB-CG1 4.06Å; L216-V226 HydrophobicContact CB-CG2 3.55Å; L216-V226 HydrophobicContact CD1-CG1 3.75Å; L216-V226 HydrophobicContact CD1-CG2 4.25Å; L216-V226 HydrophobicContact CG-CG1 4.5Å; T221-V226 HydrophobicContact CG2-CG2 3.56Å; P222-V226 PolarHBondContact O-N 3.23Å; R223-V226 PolarHBondContact O-N 3.14Å; V226-W229 PolarHBondContact O-N 3.28Å; V226-L230 HydrophobicContact CG1-CD1 4.01Å; V226-L230 HydrophobicContact CG1-CG 4.44Å; V226-L230 WeakPolarHBondContact O-CG 3.4Å; V226-L230 PolarHBondContact O-N 3.39Å
227	V	95.8	Very high	93	Very high	56 Å²	56	56.9 Å²	56.9	34%	0.339	31%	0.312	S	S	.	.	H	α-helix	trans	-62.1	-44.8	176.3	172.7	0	0	0	0	110.5	I213 R223 E224 W229 L230 L231	I213-V227 HydrophobicContact CD1-CG2 3.99Å; I213-V227 HydrophobicContact CG1-CG2 4.2Å; R223-V227 HydrophobicContact CG-CG2 4.41Å; R223-V227 WeakPolarHBondContact O-CG2 3.34Å; R223-V227 PolarHBondContact O-N 2.92Å; E224-V227 PolarHBondContact O-N 3.41Å; V227-W229 VanDerWaalsContact C-N 3.33Å; V227-W229 PolarHBondContact O-N 3.13Å; V227-L230 PolarHBondContact O-N 2.92Å; V227-L231 HydrophobicContact CG1-CD1 4.15Å; V227-L231 HydrophobicContact CG1-CG 4.45Å; V227-L231 VanDerWaalsContact O-CG 3.32Å; V227-L231 WeakPolarHBondContact O-CG 3.5Å; V227-L231 PolarHBondContact O-N 3.11Å
228	A	95.7	Very high	92.6	Very high	40 Å²	40	59.1 Å²	59.1	33%	0.331	32%	0.315	S	S	.	.	H	α-helix	trans	-60.2	-42.3	175.8	0	0	0	0	0	112.3	M176 E224 T225 L231 L232	M176-A228 HydrophobicContact CE-CB 3.84Å; E224-A228 WeakPolarHBondContact O-CB 3.29Å; E224-A228 PolarHBondContact O-N 3.21Å; T225-A228 PolarHBondContact O-N 3.07Å; A228-L231 PolarHBondContact O-N 3.43Å; A228-L232 WeakPolarHBondContact O-CG 3.46Å; A228-L232 PolarHBondContact O-N 2.85Å
229	W	96.3	Very high	92.7	Very high	7 Å²	7	61.4 Å²	61.4	3%	0.027	32%	0.319	C	S	.	.	H	α-helix	trans	-62.1	-47.1	176.6	-173.9	0.1	0	0	0	111.7	F169 I172 G173 M176 I178 V185 L216 T225 V226 V227 L231 L232 F233	F169-W229 HydrophobicContact CD1-CH2 4.5Å; F169-W229 AromaticContact CD1-CZ2 3.73Å; F169-W229 HydrophobicContact CD1-CZ2 3.73Å; F169-W229 HydrophobicContact CE1-CD2 4.35Å; F169-W229 AromaticContact CE1-CE2 3.64Å; F169-W229 AromaticContact CE1-CH2 3.81Å; F169-W229 HydrophobicContact CE1-CH2 3.81Å; F169-W229 AromaticContact CE1-CZ2 3.33Å; F169-W229 HydrophobicContact CE1-CZ2 3.33Å; F169-W229 HydrophobicContact CE1-CZ3 4.46Å; F169-W229 AromaticContact CE2-NE1 3.93Å; F169-W229 HydrophobicContact CZ-CD2 4.01Å; F169-W229 AromaticContact CZ-CE2 3.65Å; F169-W229 HydrophobicContact CZ-CE3 4.48Å; F169-W229 HydrophobicContact CZ-CG 4.47Å; F169-W229 HydrophobicContact CZ-CH2 4.37Å; F169-W229 AromaticContact CZ-CZ2 3.85Å; F169-W229 HydrophobicContact CZ-CZ2 3.85Å; F169-W229 AromaticContact CZ-NE1 3.9Å; F169-W229 VanDerWaalsContact O-CZ2 3.31Å; F169-W229 WeakPolarHBondContact O-CZ2 3.36Å; F169-W229 PolarHBondContact O-NE1 3.05Å; I172-W229 VanDerWaalsContact CG2-CD1 3.43Å; I172-W229 HydrophobicContact CG2-CG 4.49Å; G173-W229 VanDerWaalsContact N-NE1 3.16Å; M176-W229 HydrophobicContact CE-CB 4.2Å; M176-W229 VanDerWaalsContact SD-CA 3.54Å; M176-W229 HydrophobicContact SD-CB 3.7Å; M176-W229 HydrophobicContact SD-CG 4.03Å; I178-W229 HydrophobicContact CD1-CB 4.27Å; I178-W229 HydrophobicContact CD1-CD2 4.01Å; I178-W229 HydrophobicContact CD1-CE3 3.61Å; I178-W229 HydrophobicContact CD1-CG 4.32Å; I178-W229 HydrophobicContact CD1-CZ3 4.24Å; I178-W229 HydrophobicContact CG2-CE3 4.38Å; I178-W229 HydrophobicContact CG2-CZ3 3.99Å; V185-W229 HydrophobicContact CG1-CH2 4.47Å; V185-W229 HydrophobicContact CG2-CH2 4.46Å; L216-W229 HydrophobicContact CD1-CE3 3.94Å; L216-W229 HydrophobicContact CD1-CZ3 3.88Å; L216-W229 HydrophobicContact CD2-CZ3 4.34Å; T225-W229 WeakPolarHBondContact O-CB 3.33Å; T225-W229 PolarHBondContact O-N 3.19Å; V226-W229 PolarHBondContact O-N 3.28Å; V227-W229 VanDerWaalsContact C-N 3.33Å; V227-W229 PolarHBondContact O-N 3.13Å; W229-L231 VanDerWaalsContact C-N 3.34Å; W229-L231 PolarHBondContact O-N 2.74Å; W229-L232 PolarHBondContact O-N 3.36Å; W229-F233 PolarHBondContact O-N 3.44Å
230	L	95.7	Very high	92.8	Very high	7 Å²	7	62.6 Å²	62.6	4%	0.037	33%	0.325	C	S	.	.	H	α-helix	trans	-61.7	-41.6	176.8	-72.9	166.9	0	0	0	112.1	F169 F208 D209 M212 I213 V226 V227 L232 F233 R234	F169-L230 HydrophobicContact CE2-CD2 3.96Å; F208-L230 HydrophobicContact CD1-CD2 4.21Å; F208-L230 HydrophobicContact CE1-CD2 3.69Å; D209-L230 HydrophobicContact CB-CD1 4.14Å; D209-L230 WeakPolarHBondContact O-CD1 3.24Å; M212-L230 HydrophobicContact CB-CD1 4.11Å; M212-L230 HydrophobicContact CB-CD2 3.87Å; M212-L230 HydrophobicContact CB-CG 4.45Å; M212-L230 HydrophobicContact CG-CD2 4.21Å; I213-L230 HydrophobicContact CD1-CD1 4.12Å; I213-L230 HydrophobicContact CG1-CD1 3.61Å; V226-L230 HydrophobicContact CG1-CD1 4.01Å; V226-L230 HydrophobicContact CG1-CG 4.44Å; V226-L230 WeakPolarHBondContact O-CG 3.4Å; V226-L230 PolarHBondContact O-N 3.39Å; V227-L230 PolarHBondContact O-N 2.92Å; L230-L232 VanDerWaalsContact C-N 3.34Å; L230-L232 PolarHBondContact O-N 2.91Å; L230-F233 PolarHBondContact O-N 2.75Å; L230-R234 VanDerWaalsContact O-CG 3.32Å; L230-R234 WeakPolarHBondContact O-CG 3.4Å; L230-R234 PolarHBondContact O-N 2.88Å
231	L	94.9	Very high	92.9	Very high	118 Å²	118	62.4 Å²	62.4	62%	0.618	31%	0.312	S	S	*	.	H	α-helix	trans	-60	-44.2	176.1	-73.9	173.9	0	0	0	111.7	V227 A228 W229 R234 L235	V227-L231 HydrophobicContact CG1-CD1 4.15Å; V227-L231 HydrophobicContact CG1-CG 4.45Å; V227-L231 VanDerWaalsContact O-CG 3.32Å; V227-L231 WeakPolarHBondContact O-CG 3.5Å; V227-L231 PolarHBondContact O-N 3.11Å; A228-L231 PolarHBondContact O-N 3.43Å; W229-L231 VanDerWaalsContact C-N 3.34Å; W229-L231 PolarHBondContact O-N 2.74Å; L231-R234 PolarHBondContact O-N 3.24Å; L231-L235 WeakPolarHBondContact O-CB 3.27Å; L231-L235 PolarHBondContact O-N 3.37Å
232	L	95.1	Very high	92.8	Very high	61 Å²	61	68 Å²	68	32%	0.319	34%	0.336	S	S	.	.	H	α-helix	trans	-64.7	-41.8	175.3	-70.4	178.4	0	0	0	111.7	I172 M176 A228 W229 L230 R234 L235 F236	I172-L232 HydrophobicContact CG2-CB 3.69Å; I172-L232 HydrophobicContact CG2-CD1 4.09Å; M176-L232 HydrophobicContact CE-CD1 4.41Å; M176-L232 HydrophobicContact CG-CD1 3.94Å; M176-L232 HydrophobicContact SD-CD1 3.68Å; A228-L232 WeakPolarHBondContact O-CG 3.46Å; A228-L232 PolarHBondContact O-N 2.85Å; W229-L232 PolarHBondContact O-N 3.36Å; L230-L232 VanDerWaalsContact C-N 3.34Å; L230-L232 PolarHBondContact O-N 2.91Å; L232-R234 PolarHBondContact O-N 3.49Å; L232-L235 HydrophobicContact CD2-CD2 4.5Å; L232-L235 WeakPolarHBondContact O-CB 3.31Å; L232-L235 PolarHBondContact O-N 2.94Å; L232-F236 HydrophobicContact CD2-CE2 4.2Å; L232-F236 VanDerWaalsContact O-CD2 3.26Å; L232-F236 WeakPolarHBondContact O-CD2 3.27Å; L232-F236 PolarHBondContact O-N 2.9Å
233	F	94.8	Very high	92.8	Very high	4 Å²	4	67 Å²	67	2%	0.018	33%	0.333	C	S	.	.	H	α-helix	trans	-59.5	-47.2	175.3	173.9	-110.9	0	0	0	111.9	T165 F169 I172 F189 F208 W229 L230 L235 F236 Y237 Y238	T165-F233 HydrophobicContact CG2-CE2 3.98Å; T165-F233 HydrophobicContact CG2-CZ 3.64Å; F169-F233 HydrophobicContact CB-CD2 3.98Å; F169-F233 HydrophobicContact CB-CE2 3.96Å; F169-F233 HydrophobicContact CD2-CB 4.04Å; F169-F233 AromaticContact CD2-CD1 3.99Å; F169-F233 HydrophobicContact CD2-CD1 3.99Å; F169-F233 AromaticContact CD2-CD2 3.8Å; F169-F233 HydrophobicContact CD2-CD2 3.8Å; F169-F233 HydrophobicContact CD2-CE1 4.4Å; F169-F233 HydrophobicContact CD2-CE2 4.24Å; F169-F233 AromaticContact CD2-CG 3.66Å; F169-F233 HydrophobicContact CD2-CG 3.66Å; F169-F233 HydrophobicContact CE2-CB 4.41Å; F169-F233 HydrophobicContact CE2-CG 4.36Å; F169-F233 HydrophobicContact CG-CD2 4.41Å; I172-F233 VanDerWaalsContact CD1-CA 3.49Å; I172-F233 HydrophobicContact CD1-CB 4.01Å; I172-F233 HydrophobicContact CD1-CD2 4.24Å; F189-F233 HydrophobicContact CE2-CZ 4.43Å; F208-F233 HydrophobicContact CE1-CD1 4.24Å; F208-F233 AromaticContact CE1-CE1 4Å; F208-F233 HydrophobicContact CE1-CE1 4Å; F208-F233 HydrophobicContact CZ-CE1 4.31Å; W229-F233 PolarHBondContact O-N 3.44Å; L230-F233 PolarHBondContact O-N 2.75Å; F233-L235 VanDerWaalsContact C-N 3.31Å; F233-L235 PolarHBondContact O-N 3.08Å; F233-F236 PolarHBondContact O-N 3.23Å; F233-Y237 HydrophobicContact CE2-CD2 4.37Å; F233-Y237 HydrophobicContact CE2-CG 4Å; F233-Y237 HydrophobicContact CZ-CD1 4.26Å; F233-Y237 HydrophobicContact CZ-CG 4.19Å; F233-Y237 VanDerWaalsContact O-CB 3.26Å; F233-Y237 WeakPolarHBondContact O-CB 3.45Å; F233-Y237 PolarHBondContact O-N 3.42Å; F233-Y238 HydrophobicContact CE1-CE2 4.24Å
234	R	93.4	Very high	92.9	Very high	34 Å²	34	63.3 Å²	63.3	13%	0.128	33%	0.325	C	S	.	.	I	π-helix	trans	-63.5	-37.1	176	-65.5	-61	-172.7	171.3	5.4	112	G203 E204 D209 L230 L231 L232 Y238 L239	G203-R234 PolarHBondContact O-NH1 2.96Å; E204-R234 PolarHBondContact O-NH2 2.81Å; D209-R234 VanDerWaalsContact CG-NH2 3.3Å; D209-R234 IonicContact OD1-CZ 2.87Å; D209-R234 IonicContact OD1-NE 3.29Å; D209-R234 PolarHBondContact OD1-NE 3.28Å; D209-R234 IonicContact OD1-NH2 2.71Å; D209-R234 PolarHBondContact OD1-NH2 2.7Å; D209-R234 VanDerWaalsContact OD1-NH2 3.13Å; D209-R234 IonicContact OD2-CZ 3.91Å; D209-R234 IonicContact OD2-NE 3.12Å; D209-R234 IonicContact OD2-NH2 3.08Å; D209-R234 PolarHBondContact OD2-NH2 2.89Å; L230-R234 VanDerWaalsContact O-CG 3.32Å; L230-R234 WeakPolarHBondContact O-CG 3.4Å; L230-R234 PolarHBondContact O-N 2.88Å; L231-R234 PolarHBondContact O-N 3.24Å; L232-R234 PolarHBondContact O-N 3.49Å; R234-Y238 WeakPolarHBondContact O-CA 3.26Å; R234-Y238 VanDerWaalsContact O-CB 3.31Å; R234-Y238 WeakPolarHBondContact O-CB 3.46Å; R234-Y238 PolarHBondContact O-N 2.91Å; R234-Y238 VanDerWaalsContact O-N 3.08Å; R234-L239 PolarHBondContact O-N 3.41Å
235	L	92.4	Very high	92.9	Very high	64 Å²	64	58.2 Å²	58.2	34%	0.335	31%	0.311	S	S	.	.	I	π-helix	trans	-62	-52.5	176.1	178.6	61.9	0	0	0	111.7	L231 L232 F233 L239 I240	L231-L235 WeakPolarHBondContact O-CB 3.27Å; L231-L235 PolarHBondContact O-N 3.37Å; L232-L235 HydrophobicContact CD2-CD2 4.5Å; L232-L235 WeakPolarHBondContact O-CB 3.31Å; L232-L235 PolarHBondContact O-N 2.94Å; F233-L235 VanDerWaalsContact C-N 3.31Å; F233-L235 PolarHBondContact O-N 3.08Å; L235-L239 HydrophobicContact CD1-CB 4.29Å; L235-L239 HydrophobicContact CD1-CD2 3.81Å; L235-L239 PolarHBondContact O-N 2.96Å; L235-I240 HydrophobicContact CD1-CD1 4.27Å; L235-I240 HydrophobicContact CD1-CG1 4.19Å; L235-I240 HydrophobicContact CG-CD1 4.07Å; L235-I240 HydrophobicContact CG-CG1 4.45Å; L235-I240 WeakPolarHBondContact O-CB 3.46Å; L235-I240 WeakPolarHBondContact O-CG1 3.35Å; L235-I240 PolarHBondContact O-N 2.87Å
236	F	89.3	Confident	92.8	Very high	119 Å²	119	59.3 Å²	59.3	52%	0.522	32%	0.315	S	S	.	.	I	π-helix	trans	-82.6	-30.3	-172	-75	-71.6	0	0	0	114.5	L232 F233 I240 P241	L232-F236 HydrophobicContact CD2-CE2 4.2Å; L232-F236 VanDerWaalsContact O-CD2 3.26Å; L232-F236 WeakPolarHBondContact O-CD2 3.27Å; L232-F236 PolarHBondContact O-N 2.9Å; F233-F236 PolarHBondContact O-N 3.23Å; F236-I240 HydrophobicContact CD1-CD1 3.52Å; F236-I240 HydrophobicContact CE1-CD1 3.66Å; F236-I240 HydrophobicContact CG-CD1 4.31Å; F236-P241 WeakPolarHBondContact O-CD 3.44Å; F236-P241 WeakPolarHBondContact O-CG 3.45Å
237	Y	85	Confident	92.7	Very high	64 Å²	64	65 Å²	65	25%	0.251	34%	0.344	S	S	.	.	I	π-helix	trans	-95.5	-30.8	-178.1	-171.9	-87.8	0	0	0	113	T165 F233 P241	T165-Y237 HydrophobicContact CG2-CD1 4.42Å; T165-Y237 HydrophobicContact CG2-CD2 4.16Å; T165-Y237 HydrophobicContact CG2-CE1 4.01Å; T165-Y237 HydrophobicContact CG2-CE2 3.71Å; T165-Y237 HydrophobicContact CG2-CG 4.5Å; T165-Y237 WeakPolarHBondContact OG1-CE2 3.24Å; T165-Y237 PolarHBondContact OG1-OH 3.12Å; F233-Y237 HydrophobicContact CE2-CD2 4.37Å; F233-Y237 HydrophobicContact CE2-CG 4Å; F233-Y237 HydrophobicContact CZ-CD1 4.26Å; F233-Y237 HydrophobicContact CZ-CG 4.19Å; F233-Y237 VanDerWaalsContact O-CB 3.26Å; F233-Y237 WeakPolarHBondContact O-CB 3.45Å; F233-Y237 PolarHBondContact O-N 3.42Å; Y237-P241 WeakPolarHBondContact O-CG 3.39Å
238	Y	84.7	Confident	92.7	Very high	83 Å²	83	68.5 Å²	68.5	33%	0.325	36%	0.355	S	S	.	.	I	π-helix	trans	-107.9	-59.5	-179.6	-72.4	-87.3	0	0	0	112.7	F233 R234 F242	F233-Y238 HydrophobicContact CE1-CE2 4.24Å; R234-Y238 WeakPolarHBondContact O-CA 3.26Å; R234-Y238 VanDerWaalsContact O-CB 3.31Å; R234-Y238 WeakPolarHBondContact O-CB 3.46Å; R234-Y238 PolarHBondContact O-N 2.91Å; R234-Y238 VanDerWaalsContact O-N 3.08Å; Y238-F242 WeakPolarHBondContact O-CB 3.28Å; Y238-F242 PolarHBondContact O-N 2.86Å
239	L	90.3	Very high	92.6	Very high	105 Å²	105	72 Å²	72	55%	0.55	36%	0.363	S	S	.	.	I	π-helix	trans	-70.6	-45.2	-166.8	-168.6	66.2	0	0	0	112.8	R234 L235 F242 A243	R234-L239 PolarHBondContact O-N 3.41Å; L235-L239 HydrophobicContact CD1-CB 4.29Å; L235-L239 HydrophobicContact CD1-CD2 3.81Å; L235-L239 PolarHBondContact O-N 2.96Å; L239-F242 PolarHBondContact O-N 3.14Å; L239-A243 WeakPolarHBondContact O-CB 3.26Å; L239-A243 PolarHBondContact O-N 3.08Å
240	I	91.7	Very high	92.2	Very high	60 Å²	60	77.8 Å²	77.8	31%	0.308	39%	0.389	S	S	.	.	H	α-helix	trans	-66.4	-51.1	179	-72.9	170.8	0	0	0	111.2	L235 F236 F242 A243 I244	L235-I240 HydrophobicContact CD1-CD1 4.27Å; L235-I240 HydrophobicContact CD1-CG1 4.19Å; L235-I240 HydrophobicContact CG-CD1 4.07Å; L235-I240 HydrophobicContact CG-CG1 4.45Å; L235-I240 WeakPolarHBondContact O-CB 3.46Å; L235-I240 WeakPolarHBondContact O-CG1 3.35Å; L235-I240 PolarHBondContact O-N 2.87Å; F236-I240 HydrophobicContact CD1-CD1 3.52Å; F236-I240 HydrophobicContact CE1-CD1 3.66Å; F236-I240 HydrophobicContact CG-CD1 4.31Å; I240-F242 VanDerWaalsContact C-N 3.26Å; I240-F242 PolarHBondContact O-N 3.14Å; I240-A243 PolarHBondContact O-N 2.95Å; I240-A243 VanDerWaalsContact O-N 3.12Å; I240-I244 HydrophobicContact CG2-CD1 3.74Å; I240-I244 HydrophobicContact CG2-CG1 4.39Å; I240-I244 WeakPolarHBondContact O-CG1 3.11Å; I240-I244 PolarHBondContact O-N 3.28Å
241	P	90.8	Very high	91.8	Very high	61 Å²	61	84.2 Å²	84.2	40%	0.396	42%	0.416	S	S	.	.	H	α-helix	trans	-58.1	-38.2	175.2	-30.4	40.1	0	0	0	113	F236 Y237 I244 G245	F236-P241 WeakPolarHBondContact O-CD 3.44Å; F236-P241 WeakPolarHBondContact O-CG 3.45Å; Y237-P241 WeakPolarHBondContact O-CG 3.39Å; P241-I244 PolarHBondContact O-N 2.97Å; P241-G245 PolarHBondContact O-N 2.9Å
242	F	91.1	Very high	91.6	Very high	130 Å²	130	83.5 Å²	83.5	57%	0.57	41%	0.413	S	S	*	.	H	α-helix	trans	-63	-45.1	173.6	178.8	-106.8	0	0	0	112.4	Y238 L239 I240 I244 G245 L246	Y238-F242 WeakPolarHBondContact O-CB 3.28Å; Y238-F242 PolarHBondContact O-N 2.86Å; L239-F242 PolarHBondContact O-N 3.14Å; I240-F242 VanDerWaalsContact C-N 3.26Å; I240-F242 PolarHBondContact O-N 3.14Å; F242-I244 PolarHBondContact O-N 3.23Å; F242-G245 CarbonylContact O-C 3.53Å; F242-G245 PolarHBondContact O-N 3.42Å; F242-L246 HydrophobicContact CD1-CD1 4.01Å; F242-L246 HydrophobicContact CD1-CG 4.44Å; F242-L246 HydrophobicContact CE1-CD1 3.47Å; F242-L246 VanDerWaalsContact CE1-CD1 3.47Å; F242-L246 HydrophobicContact CE1-CG 4.05Å; F242-L246 HydrophobicContact CE2-CG 4.44Å; F242-L246 HydrophobicContact CZ-CD1 3.86Å; F242-L246 HydrophobicContact CZ-CD2 4.19Å; F242-L246 HydrophobicContact CZ-CG 4.05Å; F242-L246 PolarHBondContact O-N 3Å
243	A	93.4	Very high	91.1	Very high	46 Å²	46	83.8 Å²	83.8	38%	0.38	42%	0.415	S	S	.	.	H	α-helix	trans	-63	-41.9	176.8	0	0	0	0	0	112.2	L239 I240 G245 L246 I247	L239-A243 WeakPolarHBondContact O-CB 3.26Å; L239-A243 PolarHBondContact O-N 3.08Å; I240-A243 PolarHBondContact O-N 2.95Å; I240-A243 VanDerWaalsContact O-N 3.12Å; A243-G245 VanDerWaalsContact C-N 3.33Å; A243-L246 WeakPolarHBondContact O-CB 3.14Å; A243-L246 PolarHBondContact O-N 3.27Å; A243-I247 WeakPolarHBondContact O-CG1 3.5Å; A243-I247 PolarHBondContact O-N 3.01Å
244	I	94.9	Very high	90.3	Very high	82 Å²	82	85.6 Å²	85.6	42%	0.421	43%	0.434	S	S	.	.	H	α-helix	trans	-61.1	-44.7	173.3	-67.7	168.6	0	0	0	110.1	I240 P241 F242 L246 I247 F248	I240-I244 HydrophobicContact CG2-CD1 3.74Å; I240-I244 HydrophobicContact CG2-CG1 4.39Å; I240-I244 WeakPolarHBondContact O-CG1 3.11Å; I240-I244 PolarHBondContact O-N 3.28Å; P241-I244 PolarHBondContact O-N 2.97Å; F242-I244 PolarHBondContact O-N 3.23Å; I244-L246 VanDerWaalsContact C-N 3.34Å; I244-L246 PolarHBondContact O-N 3.48Å; I244-I247 PolarHBondContact O-N 3.31Å; I244-F248 HydrophobicContact CG2-CD2 3.67Å; I244-F248 HydrophobicContact CG2-CE2 3.4Å; I244-F248 VanDerWaalsContact CG2-CE2 3.4Å; I244-F248 VanDerWaalsContact O-CD2 3.26Å; I244-F248 WeakPolarHBondContact O-CD2 3.4Å; I244-F248 PolarHBondContact O-N 3.44Å
245	G	94.9	Very high	89.9	Confident	38 Å²	38	87.6 Å²	87.6	39%	0.392	45%	0.45	S	S	.	.	H	α-helix	trans	-58.2	-42.7	174.5	0	0	0	0	0	112.6	P241 F242 A243 F248 F249	P241-G245 PolarHBondContact O-N 2.9Å; F242-G245 CarbonylContact O-C 3.53Å; F242-G245 PolarHBondContact O-N 3.42Å; A243-G245 VanDerWaalsContact C-N 3.33Å; G245-F248 PolarHBondContact O-N 2.9Å; G245-F249 VanDerWaalsContact O-CB 3.29Å; G245-F249 WeakPolarHBondContact O-CB 3.19Å; G245-F249 PolarHBondContact O-N 3.3Å
246	L	93.8	Very high	89.6	Confident	67 Å²	67	87.6 Å²	87.6	35%	0.351	45%	0.453	S	S	.	.	H	α-helix	trans	-62.1	-43	174.5	-76	177.7	0	0	0	112	F242 A243 I244 F248 F249 F250	F242-L246 HydrophobicContact CD1-CD1 4.01Å; F242-L246 HydrophobicContact CD1-CG 4.44Å; F242-L246 HydrophobicContact CE1-CD1 3.47Å; F242-L246 VanDerWaalsContact CE1-CD1 3.47Å; F242-L246 HydrophobicContact CE1-CG 4.05Å; F242-L246 HydrophobicContact CE2-CG 4.44Å; F242-L246 HydrophobicContact CZ-CD1 3.86Å; F242-L246 HydrophobicContact CZ-CD2 4.19Å; F242-L246 HydrophobicContact CZ-CG 4.05Å; F242-L246 PolarHBondContact O-N 3Å; A243-L246 WeakPolarHBondContact O-CB 3.14Å; A243-L246 PolarHBondContact O-N 3.27Å; I244-L246 VanDerWaalsContact C-N 3.34Å; I244-L246 PolarHBondContact O-N 3.48Å; L246-F248 PolarHBondContact O-N 3Å; L246-F249 WeakPolarHBondContact O-CB 3.25Å; L246-F249 PolarHBondContact O-N 2.91Å; L246-F250 HydrophobicContact CD2-CE2 4.29Å; L246-F250 WeakPolarHBondContact O-CD2 3.07Å; L246-F250 PolarHBondContact O-N 3.31Å
247	I	93.5	Very high	89.2	Confident	118 Å²	118	85.2 Å²	85.2	61%	0.605	45%	0.445	S	S	*	.	H	α-helix	trans	-59.9	-47.6	176.4	-67.6	166	0	0	0	110.2	A243 I244 F249 F250 K251	A243-I247 WeakPolarHBondContact O-CG1 3.5Å; A243-I247 PolarHBondContact O-N 3.01Å; I244-I247 PolarHBondContact O-N 3.31Å; I247-F249 VanDerWaalsContact C-N 3.34Å; I247-F249 PolarHBondContact O-N 3.5Å; I247-F250 PolarHBondContact O-N 2.97Å; I247-K251 VanDerWaalsContact O-CB 3.29Å; I247-K251 WeakPolarHBondContact O-CB 3.42Å; I247-K251 PolarHBondContact O-N 3.47Å
248	F	94.5	Very high	89	Confident	131 Å²	131	84.3 Å²	84.3	58%	0.575	45%	0.445	S	S	*	.	H	α-helix	trans	-63.9	-39.3	176.4	-75.6	-57.7	0	0	0	112.5	I244 G245 L246 K251 N252	I244-F248 HydrophobicContact CG2-CD2 3.67Å; I244-F248 HydrophobicContact CG2-CE2 3.4Å; I244-F248 VanDerWaalsContact CG2-CE2 3.4Å; I244-F248 VanDerWaalsContact O-CD2 3.26Å; I244-F248 WeakPolarHBondContact O-CD2 3.4Å; I244-F248 PolarHBondContact O-N 3.44Å; G245-F248 PolarHBondContact O-N 2.9Å; L246-F248 PolarHBondContact O-N 3Å; F248-K251 PolarHBondContact O-N 3.22Å; F248-N252 VanDerWaalsContact O-CB 3.26Å; F248-N252 WeakPolarHBondContact O-CB 3.41Å; F248-N252 PolarHBondContact O-N 3.23Å
249	F	93.1	Very high	89	Confident	114 Å²	114	84 Å²	84	50%	0.5	46%	0.459	S	S	.	.	H	α-helix	trans	-61	-51.5	176.4	175.1	-97.6	0	0	0	111.3	G245 L246 I247 K251 N252 L253	G245-F249 VanDerWaalsContact O-CB 3.29Å; G245-F249 WeakPolarHBondContact O-CB 3.19Å; G245-F249 PolarHBondContact O-N 3.3Å; L246-F249 WeakPolarHBondContact O-CB 3.25Å; L246-F249 PolarHBondContact O-N 2.91Å; I247-F249 VanDerWaalsContact C-N 3.34Å; I247-F249 PolarHBondContact O-N 3.5Å; F249-K251 VanDerWaalsContact C-N 3.34Å; F249-K251 PolarHBondContact O-N 3.09Å; F249-N252 PolarHBondContact O-N 3.47Å; F249-L253 HydrophobicContact CE1-CD2 4.02Å; F249-L253 HydrophobicContact CZ-CD2 4.32Å; F249-L253 WeakPolarHBondContact O-CB 3.34Å; F249-L253 PolarHBondContact O-N 3.16Å
250	F	89.1	Confident	88.9	Confident	128 Å²	128	88 Å²	88	56%	0.561	47%	0.466	S	S	*	.	H	α-helix	trans	-66.7	-35.5	179	-77.3	-66.4	0	0	0	112.5	L246 I247 L253 G254	L246-F250 HydrophobicContact CD2-CE2 4.29Å; L246-F250 WeakPolarHBondContact O-CD2 3.07Å; L246-F250 PolarHBondContact O-N 3.31Å; I247-F250 PolarHBondContact O-N 2.97Å; F250-L253 HydrophobicContact CD1-CD2 4.39Å; F250-G254 PolarHBondContact O-N 3.06Å
251	K	87.3	Confident	88.6	Confident	141 Å²	141	91.3 Å²	91.3	61%	0.613	48%	0.476	S	S	*	.	H	α-helix	trans	-61.1	-50.4	172	-178.1	179	177.9	-179.7	0	110.9	I247 F248 F249 G254 T255	I247-K251 VanDerWaalsContact O-CB 3.29Å; I247-K251 WeakPolarHBondContact O-CB 3.42Å; I247-K251 PolarHBondContact O-N 3.47Å; F248-K251 PolarHBondContact O-N 3.22Å; F249-K251 VanDerWaalsContact C-N 3.34Å; F249-K251 PolarHBondContact O-N 3.09Å; K251-G254 PolarHBondContact O-N 3.16Å; K251-T255 WeakPolarHBondContact O-CG2 3.39Å; K251-T255 PolarHBondContact O-N 3.47Å; K251-T255 PolarHBondContact O-OG1 2.83Å
252	N	89.5	Confident	88.4	Confident	103 Å²	103	97.7 Å²	97.7	55%	0.551	50%	0.498	S	S	*	.	H	α-helix	trans	-67.1	-37.5	-179.5	-170.6	41.7	0	0	0	112.2	F248 F249 T255 T256	F248-N252 VanDerWaalsContact O-CB 3.26Å; F248-N252 WeakPolarHBondContact O-CB 3.41Å; F248-N252 PolarHBondContact O-N 3.23Å; F249-N252 PolarHBondContact O-N 3.47Å; N252-T255 WeakPolarHBondContact CA-OG1 3.35Å; N252-T255 PolarHBondContact O-OG1 2.74Å; N252-T256 WeakPolarHBondContact O-CB 3.44Å; N252-T256 PolarHBondContact O-N 2.94Å; N252-T256 PolarHBondContact O-OG1 2.9Å
253	L	85	Confident	87.9	Confident	68 Å²	68	92.5 Å²	92.5	36%	0.356	48%	0.48	S	S	.	.	H	α-helix	trans	-63.1	-47.1	174.3	-176.2	65.3	0	0	0	110.3	F249 F250 T256 I257	F249-L253 HydrophobicContact CE1-CD2 4.02Å; F249-L253 HydrophobicContact CZ-CD2 4.32Å; F249-L253 WeakPolarHBondContact O-CB 3.34Å; F249-L253 PolarHBondContact O-N 3.16Å; F250-L253 HydrophobicContact CD1-CD2 4.39Å; L253-T256 PolarHBondContact O-N 2.85Å; L253-I257 HydrophobicContact CD1-CD1 3.84Å; L253-I257 HydrophobicContact CD1-CG1 4.23Å; L253-I257 HydrophobicContact CG-CD1 3.77Å; L253-I257 HydrophobicContact CG-CG1 4.46Å; L253-I257 WeakPolarHBondContact O-CB 3.37Å; L253-I257 VanDerWaalsContact O-CG1 3.23Å; L253-I257 WeakPolarHBondContact O-CG1 3.47Å; L253-I257 PolarHBondContact O-N 3.24Å
254	G	79.2	Confident	87.4	Confident	41 Å²	41	94.9 Å²	94.9	42%	0.423	49%	0.486	S	S	.	.	H	α-helix	trans	-59	-47.6	176.3	0	0	0	0	0	112.5	F250 K251 N258	F250-G254 PolarHBondContact O-N 3.06Å; K251-G254 PolarHBondContact O-N 3.16Å; G254-N258 WeakPolarHBondContact O-CB 3.34Å; G254-N258 PolarHBondContact O-N 3.1Å
255	T	83.4	Confident	86.7	Confident	77 Å²	77	92.8 Å²	92.8	47%	0.472	48%	0.477	S	S	.	.	H	α-helix	trans	-65.8	-41.2	177.3	53.6	0	0	0	0	112.2	K251 N252 N258 A259	K251-T255 WeakPolarHBondContact O-CG2 3.39Å; K251-T255 PolarHBondContact O-N 3.47Å; K251-T255 PolarHBondContact O-OG1 2.83Å; N252-T255 WeakPolarHBondContact CA-OG1 3.35Å; N252-T255 PolarHBondContact O-OG1 2.74Å; T255-N258 PolarHBondContact O-N 3.23Å; T255-A259 VanDerWaalsContact O-CB 3.29Å; T255-A259 WeakPolarHBondContact O-CB 3.44Å; T255-A259 PolarHBondContact O-N 3.42Å
256	T	86.5	Confident	86	Confident	63 Å²	63	94.9 Å²	94.9	39%	0.387	48%	0.479	S	S	.	.	H	α-helix	trans	-65.2	-45.6	178.9	-59.5	0	0	0	0	111.5	N252 L253 A259 R260	N252-T256 WeakPolarHBondContact O-CB 3.44Å; N252-T256 PolarHBondContact O-N 2.94Å; N252-T256 PolarHBondContact O-OG1 2.9Å; L253-T256 PolarHBondContact O-N 2.85Å; T256-A259 PolarHBondContact O-N 3.27Å; T256-R260 VanDerWaalsContact O-CB 3.26Å; T256-R260 WeakPolarHBondContact O-CB 3.38Å; T256-R260 PolarHBondContact O-N 3Å
257	I	81.9	Confident	85.2	Confident	70 Å²	70	94.1 Å²	94.1	36%	0.359	48%	0.479	S	S	.	.	H	α-helix	trans	-63.4	-46	176.3	-70	173.8	0	0	0	109.8	L253 A259 R260 Y261 P265	L253-I257 HydrophobicContact CD1-CD1 3.84Å; L253-I257 HydrophobicContact CD1-CG1 4.23Å; L253-I257 HydrophobicContact CG-CD1 3.77Å; L253-I257 HydrophobicContact CG-CG1 4.46Å; L253-I257 WeakPolarHBondContact O-CB 3.37Å; L253-I257 VanDerWaalsContact O-CG1 3.23Å; L253-I257 WeakPolarHBondContact O-CG1 3.47Å; L253-I257 PolarHBondContact O-N 3.24Å; I257-A259 PolarHBondContact O-N 3.47Å; I257-R260 PolarHBondContact O-N 3.25Å; I257-Y261 HydrophobicContact CG2-CD2 3.87Å; I257-Y261 HydrophobicContact CG2-CE2 4.15Å; I257-Y261 VanDerWaalsContact O-CD2 3.29Å; I257-Y261 WeakPolarHBondContact O-CD2 3.46Å; I257-Y261 PolarHBondContact O-N 3.32Å; I257-P265 HydrophobicContact CG2-CG 4.03Å
258	N	79.7	Confident	84.4	Confident	45 Å²	45	92.9 Å²	92.9	24%	0.241	47%	0.473	C	S	.	.	H	α-helix	trans	-62.6	-42.2	179.8	-165.9	55.9	0	0	0	112.1	G254 T255 Y261 K262 G263 I266	G254-N258 WeakPolarHBondContact O-CB 3.34Å; G254-N258 PolarHBondContact O-N 3.1Å; T255-N258 PolarHBondContact O-N 3.23Å; N258-Y261 CarbonylContact O-C 3.51Å; N258-K262 PolarHBondContact O-N 3.26Å; N258-K262 VanDerWaalsContact O-N 3.12Å; N258-G263 PolarHBondContact O-N 3.41Å; N258-G263 VanDerWaalsContact OD1-CA 3.27Å; N258-G263 WeakPolarHBondContact OD1-CA 3.33Å; N258-I266 WeakPolarHBondContact OD1-CB 3.33Å; N258-I266 WeakPolarHBondContact OD1-CG2 3.48Å; N258-I266 PolarHBondContact OD1-N 3.49Å
259	A	85	Confident	83.6	Confident	75 Å²	75	92.1 Å²	92.1	62%	0.62	47%	0.474	S	S	*	.	H	α-helix	trans	-65.7	-44	175.3	0	0	0	0	0	112	T255 T256 I257 Y261 K262	T255-A259 VanDerWaalsContact O-CB 3.29Å; T255-A259 WeakPolarHBondContact O-CB 3.44Å; T255-A259 PolarHBondContact O-N 3.42Å; T256-A259 PolarHBondContact O-N 3.27Å; I257-A259 PolarHBondContact O-N 3.47Å; A259-Y261 VanDerWaalsContact C-N 3.29Å; A259-Y261 PolarHBondContact O-N 3.48Å; A259-K262 PolarHBondContact O-N 2.88Å
260	R	89	Confident	82.7	Confident	189 Å²	189	93.4 Å²	93.4	71%	0.713	48%	0.48	S	S	*	.	H	α-helix	trans	-58.8	-40.2	178.5	177.9	173.2	-73.4	-179.9	-2	112.3	T256 I257	T256-R260 VanDerWaalsContact O-CB 3.26Å; T256-R260 WeakPolarHBondContact O-CB 3.38Å; T256-R260 PolarHBondContact O-N 3Å; I257-R260 PolarHBondContact O-N 3.25Å
261	Y	85.8	Confident	82	Confident	130 Å²	130	92.8 Å²	92.8	51%	0.51	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	26.2	179.5	-61.3	-71	0	0	0	113.1	I257 N258 A259 G263 I264 P265	I257-Y261 HydrophobicContact CG2-CD2 3.87Å; I257-Y261 HydrophobicContact CG2-CE2 4.15Å; I257-Y261 VanDerWaalsContact O-CD2 3.29Å; I257-Y261 WeakPolarHBondContact O-CD2 3.46Å; I257-Y261 PolarHBondContact O-N 3.32Å; N258-Y261 CarbonylContact O-C 3.51Å; A259-Y261 VanDerWaalsContact C-N 3.29Å; A259-Y261 PolarHBondContact O-N 3.48Å; Y261-G263 VanDerWaalsContact C-N 3.25Å; Y261-G263 PolarHBondContact O-N 2.96Å; Y261-G263 VanDerWaalsContact O-N 3.08Å; Y261-I264 WeakPolarHBondContact O-CB 3.13Å; Y261-I264 WeakPolarHBondContact O-CD1 3.25Å; Y261-I264 WeakPolarHBondContact O-CG1 3.25Å; Y261-I264 PolarHBondContact O-N 2.94Å; Y261-P265 HydrophobicContact CD2-CG 4.44Å
262	K	86.2	Confident	81.4	Confident	196 Å²	196	91.1 Å²	91.1	85%	0.852	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	37.5	172.1	-58.8	-176.6	178.6	-179.2	0	115.1	N258 A259	N258-K262 PolarHBondContact O-N 3.26Å; N258-K262 VanDerWaalsContact O-N 3.12Å; A259-K262 PolarHBondContact O-N 2.88Å
263	G	79.7	Confident	80.7	Confident	20 Å²	20	90 Å²	90	21%	0.206	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	trans	86	-3.4	178.6	0	0	0	0	0	115.7	N258 Y261 P265 I266 S267	N258-G263 PolarHBondContact O-N 3.41Å; N258-G263 VanDerWaalsContact OD1-CA 3.27Å; N258-G263 WeakPolarHBondContact OD1-CA 3.33Å; Y261-G263 VanDerWaalsContact C-N 3.25Å; Y261-G263 PolarHBondContact O-N 2.96Å; Y261-G263 VanDerWaalsContact O-N 3.08Å; G263-P265 VanDerWaalsContact C-CD 3.48Å; G263-I266 VanDerWaalsContact O-CG2 3.25Å; G263-I266 WeakPolarHBondContact O-CG2 3.35Å; G263-I266 PolarHBondContact O-N 2.87Å; G263-S267 PolarHBondContact O-N 3.26Å; G263-S267 PolarHBondContact O-OG 3.44Å
264	I	84.1	Confident	80.4	Confident	97 Å²	97	91 Å²	91	50%	0.497	48%	0.484	S	S	.	.	H	α-helix	trans	-55.2	-43.4	179.3	-64.3	165.6	0	0	0	112.3	Y261 I266 S267 L268	Y261-I264 WeakPolarHBondContact O-CB 3.13Å; Y261-I264 WeakPolarHBondContact O-CD1 3.25Å; Y261-I264 WeakPolarHBondContact O-CG1 3.25Å; Y261-I264 PolarHBondContact O-N 2.94Å; I264-I266 VanDerWaalsContact C-N 3.34Å; I264-I266 PolarHBondContact O-N 3.46Å; I264-S267 WeakPolarHBondContact CA-OG 3.2Å; I264-S267 PolarHBondContact O-N 2.84Å; I264-S267 PolarHBondContact O-OG 3.21Å; I264-L268 HydrophobicContact CG2-CD1 3.85Å; I264-L268 HydrophobicContact CG2-CG 4.3Å; I264-L268 VanDerWaalsContact O-CG 3.32Å; I264-L268 WeakPolarHBondContact O-CG 3.5Å; I264-L268 PolarHBondContact O-N 3.25Å
265	P	78.9	Confident	80.5	Confident	37 Å²	37	91.7 Å²	91.7	24%	0.24	48%	0.475	C	S	.	.	H	α-helix	trans	-62.1	-40.2	179.4	-24.2	35.1	0	0	0	113	I257 Y261 G263 L269	I257-P265 HydrophobicContact CG2-CG 4.03Å; Y261-P265 HydrophobicContact CD2-CG 4.44Å; G263-P265 VanDerWaalsContact C-CD 3.48Å; P265-L269 WeakPolarHBondContact O-CB 3.29Å; P265-L269 PolarHBondContact O-N 3.26Å; P265-L269 VanDerWaalsContact O-N 3.07Å
266	I	79.8	Confident	80.3	Confident	82 Å²	82	93.7 Å²	93.7	42%	0.421	48%	0.479	S	S	.	.	H	α-helix	trans	-75.8	-29.9	180	-159	160.7	0	0	0	112.5	N258 G263 I264 L269 K270	N258-I266 WeakPolarHBondContact OD1-CB 3.33Å; N258-I266 WeakPolarHBondContact OD1-CG2 3.48Å; N258-I266 PolarHBondContact OD1-N 3.49Å; G263-I266 VanDerWaalsContact O-CG2 3.25Å; G263-I266 WeakPolarHBondContact O-CG2 3.35Å; G263-I266 PolarHBondContact O-N 2.87Å; I264-I266 VanDerWaalsContact C-N 3.34Å; I264-I266 PolarHBondContact O-N 3.46Å; I266-L269 PolarHBondContact O-N 3.12Å; I266-K270 WeakPolarHBondContact O-CG 3.42Å; I266-K270 PolarHBondContact O-N 2.9Å
267	S	78.4	Confident	80.1	Confident	52 Å²	52	92.1 Å²	92.1	36%	0.364	47%	0.468	S	S	.	.	H	α-helix	trans	-66.8	-45	173.4	62.6	0	0	0	0	111.1	G263 I264 L269 K270 E271	G263-S267 PolarHBondContact O-N 3.26Å; G263-S267 PolarHBondContact O-OG 3.44Å; I264-S267 WeakPolarHBondContact CA-OG 3.2Å; I264-S267 PolarHBondContact O-N 2.84Å; I264-S267 PolarHBondContact O-OG 3.21Å; S267-L269 VanDerWaalsContact C-N 3.31Å; S267-L269 PolarHBondContact O-N 2.91Å; S267-K270 WeakPolarHBondContact O-CB 3.26Å; S267-K270 PolarHBondContact O-N 3.43Å; S267-K270 VanDerWaalsContact O-N 3.08Å; S267-E271 PolarHBondContact O-N 2.94Å
268	L	77.1	Confident	79.9	Confident	91 Å²	91	92.6 Å²	92.6	48%	0.476	47%	0.47	S	S	.	.	H	α-helix	trans	-60.6	-40	174.6	-68.4	170.5	0	0	0	112	I264 K270 E271 L272	I264-L268 HydrophobicContact CG2-CD1 3.85Å; I264-L268 HydrophobicContact CG2-CG 4.3Å; I264-L268 VanDerWaalsContact O-CG 3.32Å; I264-L268 WeakPolarHBondContact O-CG 3.5Å; I264-L268 PolarHBondContact O-N 3.25Å; L268-K270 VanDerWaalsContact C-N 3.35Å; L268-E271 PolarHBondContact O-N 2.85Å; L268-L272 WeakPolarHBondContact O-CG 3.3Å; L268-L272 PolarHBondContact O-N 3.01Å; L268-L272 VanDerWaalsContact O-N 3.13Å
269	L	76.2	Confident	80	Confident	115 Å²	115	90.4 Å²	90.4	60%	0.602	46%	0.459	S	S	*	.	H	α-helix	trans	-64.4	-37	174.1	-93.9	154.3	0	0	0	112.6	P265 I266 S267 L272 A273	P265-L269 WeakPolarHBondContact O-CB 3.29Å; P265-L269 PolarHBondContact O-N 3.26Å; P265-L269 VanDerWaalsContact O-N 3.07Å; I266-L269 PolarHBondContact O-N 3.12Å; S267-L269 VanDerWaalsContact C-N 3.31Å; S267-L269 PolarHBondContact O-N 2.91Å; L269-L272 PolarHBondContact O-N 3.5Å; L269-A273 VanDerWaalsContact O-CB 3.3Å; L269-A273 WeakPolarHBondContact O-CB 3.29Å; L269-A273 PolarHBondContact O-N 3.44Å
270	K	75.8	Confident	79.9	Confident	142 Å²	142	87.8 Å²	87.8	62%	0.617	43%	0.433	S	S	*	.	H	α-helix	trans	-69.4	-36.4	175.6	-75.2	176.4	178.4	-173	0	112.4	I266 S267 L268 L272 A273 H274	I266-K270 WeakPolarHBondContact O-CG 3.42Å; I266-K270 PolarHBondContact O-N 2.9Å; S267-K270 WeakPolarHBondContact O-CB 3.26Å; S267-K270 PolarHBondContact O-N 3.43Å; S267-K270 VanDerWaalsContact O-N 3.08Å; L268-K270 VanDerWaalsContact C-N 3.35Å; K270-L272 PolarHBondContact O-N 3.45Å; K270-A273 PolarHBondContact O-N 2.9Å; K270-H274 PolarHBondContact O-ND1 3.47Å
271	E	74	Confident	79.7	Confident	115 Å²	115	78.8 Å²	78.8	54%	0.537	40%	0.399	S	S	.	.	H	α-helix	trans	-64.1	-24.6	170.7	-75.7	177.4	-174.2	0	0	112.6	S267 L268 H274	S267-E271 PolarHBondContact O-N 2.94Å; L268-E271 PolarHBondContact O-N 2.85Å; E271-H274 VanDerWaalsContact C-CE1 3.49Å; E271-H274 PolarHBondContact O-CE1 3.19Å; E271-H274 PolarHBondContact O-ND1 2.96Å; E271-H274 VanDerWaalsContact O-ND1 3.11Å
272	L	73.5	Confident	79.6	Confident	105 Å²	105	72.9 Å²	72.9	55%	0.55	38%	0.377	S	S	.	.	H	α-helix	trans	-89.2	-27.8	172.6	-67.4	169.5	0	0	0	112.6	L268 L269 K270 H274 K275	L268-L272 WeakPolarHBondContact O-CG 3.3Å; L268-L272 PolarHBondContact O-N 3.01Å; L268-L272 VanDerWaalsContact O-N 3.13Å; L269-L272 PolarHBondContact O-N 3.5Å; K270-L272 PolarHBondContact O-N 3.45Å; L272-H274 PolarHBondContact O-N 3.42Å; L272-K275 WeakPolarHBondContact O-CB 3.29Å; L272-K275 PolarHBondContact O-N 3.07Å
273	A	76.5	Confident	79.7	Confident	80 Å²	80	63.7 Å²	63.7	66%	0.661	34%	0.337	S	S	*	.	H	α-helix	trans	-72.4	-24.4	-171.9	0	0	0	0	0	114.5	L269 K270 K275	L269-A273 VanDerWaalsContact O-CB 3.3Å; L269-A273 WeakPolarHBondContact O-CB 3.29Å; L269-A273 PolarHBondContact O-N 3.44Å; K270-A273 PolarHBondContact O-N 2.9Å; A273-K275 VanDerWaalsContact C-N 3.29Å
274	H	77.9	Confident	80	Confident	90 Å²	90	65.8 Å²	65.8	42%	0.417	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-9.6	175.8	69.6	-91.7	0	0	0	112.9	K270 E271 L272 E276 D435	K270-H274 PolarHBondContact O-ND1 3.47Å; E271-H274 VanDerWaalsContact C-CE1 3.49Å; E271-H274 PolarHBondContact O-CE1 3.19Å; E271-H274 PolarHBondContact O-ND1 2.96Å; E271-H274 VanDerWaalsContact O-ND1 3.11Å; L272-H274 PolarHBondContact O-N 3.42Å; H274-E276 PolarHBondContact O-N 2.85Å; H274-D435 IonicContact NE2-OD2 2.71Å; H274-D435 PolarHBondContact NE2-OD2 3Å
275	K	80.2	Confident	80	Confident	55 Å²	55	63.1 Å²	63.1	24%	0.239	33%	0.325	C	S	.	.			trans	-80.4	118.9	-179.9	-61.8	-170.8	169.1	-164.3	0	109.9	L272 A273 Q277 D435 R436 N438	L272-K275 WeakPolarHBondContact O-CB 3.29Å; L272-K275 PolarHBondContact O-N 3.07Å; A273-K275 VanDerWaalsContact C-N 3.29Å; K275-Q277 VanDerWaalsContact C-N 3.3Å; K275-D435 IonicContact NZ-OD1 3.88Å; K275-D435 PolarHBondContact NZ-OD1 3.22Å; K275-R436 CarbonylContact C-O 3.58Å; K275-R436 WeakPolarHBondContact CA-O 3.27Å; K275-N438 HydrophobicContact CD-CB 4.1Å; K275-N438 PolarHBondContact NZ-OD1 3.01Å
276	E	80.1	Confident	80.5	Confident	119 Å²	119	63.9 Å²	63.9	56%	0.556	33%	0.329	S	S	*	.	S	Bend	trans	-79.3	-18.8	179.3	-65.6	-173.6	-160.5	0	0	112.2	H274 R436 Y437	H274-E276 PolarHBondContact O-N 2.85Å; E276-R436 HydrophobicContact CB-CG 4.49Å; E276-R436 HydrophobicContact CG-CG 3.94Å; E276-R436 PolarHBondContact N-O 3.32Å; E276-R436 WeakPolarHBondContact OE1-CD 3.28Å; E276-R436 IonicContact OE1-NH1 2.61Å; E276-R436 PolarHBondContact OE1-NH1 3.41Å; E276-Y437 HydrophobicContact CB-CD1 4.14Å; E276-Y437 HydrophobicContact CB-CE1 4.04Å; E276-Y437 WeakPolarHBondContact OE2-CE1 3.39Å
277	Q	81.6	Confident	80.8	Confident	30 Å²	30	62 Å²	62	14%	0.14	32%	0.32	C	S	.	.			trans	-144.7	151.8	-177.4	179.4	174.5	-78.2	0	0	111.5	K275 V279 R353 Y437 N438	K275-Q277 VanDerWaalsContact C-N 3.3Å; Q277-V279 HydrophobicContact CG-CG2 4.29Å; Q277-R353 VanDerWaalsContact OE1-CA 3.3Å; Q277-Y437 HydrophobicContact CB-CD1 4.22Å; Q277-N438 WeakPolarHBondContact O-CB 3.34Å
278	L	79	Confident	81.1	Confident	79 Å²	79	62.2 Å²	62.2	41%	0.414	32%	0.316	S	S	.	.			trans	-113.5	102.8	170.7	-170.7	79.4	0	0	0	111.4	Y280 W284	L278-Y280 PolarHBondContact O-N 2.94Å; L278-W284 HydrophobicContact CD1-CH2 4.4Å; L278-W284 HydrophobicContact CD1-CZ3 3.8Å; L278-W284 HydrophobicContact CG-CZ3 4.45Å
279	V	81.8	Confident	81.6	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.312	C	S	.	.			trans	-84.5	89.1	169.7	-169.9	0	0	0	0	110.8	Q277 S281 N408 Y437 N438 Y439	Q277-V279 HydrophobicContact CG-CG2 4.29Å; V279-S281 PolarHBondContact O-N 3.34Å; V279-S281 VanDerWaalsContact O-N 3.11Å; V279-N408 HydrophobicContact CB-CB 3.96Å; V279-N408 HydrophobicContact CG1-CB 3.67Å; V279-Y437 WeakPolarHBondContact CG2-O 3.1Å; V279-N438 PolarHBondContact N-ND2 3.18Å; V279-Y439 HydrophobicContact CB-CE1 4.47Å; V279-Y439 HydrophobicContact CG1-CE1 4.16Å; V279-Y439 HydrophobicContact CG2-CD1 4.3Å; V279-Y439 HydrophobicContact CG2-CD2 4.38Å; V279-Y439 HydrophobicContact CG2-CE1 3.85Å; V279-Y439 HydrophobicContact CG2-CE2 3.97Å
280	Y	82	Confident	82.3	Confident	19 Å²	19	58.8 Å²	58.8	8%	0.075	31%	0.307	C	S	.	.			trans	-71.7	105.7	177	-167	-109.5	0	0	0	111.6	L278 W284 M285 D288 I346	L278-Y280 PolarHBondContact O-N 2.94Å; Y280-W284 HydrophobicContact CD2-CB 4.14Å; Y280-W284 AromaticContact CD2-CE3 3.83Å; Y280-W284 HydrophobicContact CD2-CE3 3.83Å; Y280-W284 HydrophobicContact CE2-CB 3.81Å; Y280-W284 HydrophobicContact CE2-CE3 4.39Å; Y280-M285 HydrophobicContact CD1-CG 3.58Å; Y280-M285 HydrophobicContact CD1-SD 4.17Å; Y280-M285 HydrophobicContact CE1-CB 4.19Å; Y280-M285 HydrophobicContact CE1-CG 3.08Å; Y280-M285 HydrophobicContact CE1-SD 4.15Å; Y280-D288 VanDerWaalsContact CE2-OD2 3.31Å; Y280-D288 WeakPolarHBondContact CE2-OD2 3.29Å; Y280-D288 PolarHBondContact OH-OD2 3.19Å; Y280-I346 HydrophobicContact CD1-CB 4.33Å; Y280-I346 HydrophobicContact CD1-CD1 4.25Å; Y280-I346 HydrophobicContact CD1-CG1 4.22Å; Y280-I346 HydrophobicContact CD1-CG2 3.18Å; Y280-I346 HydrophobicContact CE1-CB 4.34Å; Y280-I346 HydrophobicContact CE1-CD1 3.5Å; Y280-I346 HydrophobicContact CE1-CG1 3.98Å; Y280-I346 HydrophobicContact CE1-CG2 3.48Å; Y280-I346 VanDerWaalsContact CE1-CG2 3.48Å; Y280-I346 HydrophobicContact CE2-CD1 4.08Å; Y280-I346 HydrophobicContact CE2-CG1 4.39Å; Y280-I346 HydrophobicContact CG-CG1 4.44Å; Y280-I346 HydrophobicContact CG-CG2 3.83Å; Y280-I346 VanDerWaalsContact CZ-CD1 3.46Å
281	S	85.1	Confident	82.8	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.298	C	S	.	.			trans	-87.6	160.8	-169.4	71.3	0	0	0	0	113.6	V279 E283 W284 M285 N408	V279-S281 PolarHBondContact O-N 3.34Å; V279-S281 VanDerWaalsContact O-N 3.11Å; S281-E283 PolarHBondContact O-N 2.86Å; S281-E283 PolarHBondContact OG-N 3.45Å; S281-W284 PolarHBondContact O-N 3.47Å; S281-W284 PolarHBondContact OG-N 2.77Å; S281-W284 VanDerWaalsContact OG-N 3.09Å; S281-M285 VanDerWaalsContact O-CG 3.27Å; S281-M285 WeakPolarHBondContact O-CG 3.34Å; S281-M285 PolarHBondContact O-N 3.46Å; S281-N408 WeakPolarHBondContact CB-OD1 3.27Å
282	A	83.9	Confident	83.3	Confident	7 Å²	7	53.1 Å²	53.1	6%	0.058	29%	0.285	C	S	.	.	H	α-helix	trans	-60.6	-28.1	172.2	0	0	0	0	0	113	T286 Y672 I698	A282-T286 PolarHBondContact O-N 2.8Å; A282-T286 VanDerWaalsContact O-N 3.15Å; A282-T286 PolarHBondContact O-OG1 2.85Å; A282-Y672 HydrophobicContact CB-CE1 4.24Å; A282-I698 HydrophobicContact CB-CG2 3.83Å
283	E	88.3	Confident	83.9	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.009	27%	0.274	C	S	.	.	H	α-helix	trans	-65.5	-52.9	173.4	177.4	175.3	-165.5	0	0	110.9	S281 M285 T286 I287 K409 S668 W669 Y672	S281-E283 PolarHBondContact O-N 2.86Å; S281-E283 PolarHBondContact OG-N 3.45Å; E283-M285 VanDerWaalsContact C-N 3.3Å; E283-M285 PolarHBondContact O-N 3.28Å; E283-T286 WeakPolarHBondContact O-CB 3.29Å; E283-T286 PolarHBondContact O-N 3.48Å; E283-I287 HydrophobicContact CG-CD1 4.04Å; E283-I287 WeakPolarHBondContact O-CG1 3.29Å; E283-I287 PolarHBondContact O-N 3.34Å; E283-K409 WeakPolarHBondContact OE2-CE 3.29Å; E283-K409 IonicContact OE2-NZ 2.71Å; E283-K409 PolarHBondContact OE2-NZ 3.33Å; E283-S668 WeakPolarHBondContact OE1-CA 3.17Å; E283-S668 PolarHBondContact OE2-OG 2.87Å; E283-W669 WeakPolarHBondContact OE1-CB 3.49Å; E283-W669 PolarHBondContact OE1-N 2.89Å; E283-Y672 HydrophobicContact CB-CD1 3.89Å; E283-Y672 HydrophobicContact CB-CD2 3.92Å; E283-Y672 HydrophobicContact CB-CE1 4.15Å; E283-Y672 HydrophobicContact CB-CE2 4.19Å; E283-Y672 HydrophobicContact CB-CG 3.78Å; E283-Y672 HydrophobicContact CG-CD2 3.81Å; E283-Y672 HydrophobicContact CG-CE2 4.18Å; E283-Y672 HydrophobicContact CG-CG 4.08Å
284	W	85.5	Confident	84.5	Confident	65 Å²	65	48.7 Å²	48.7	25%	0.246	26%	0.263	C	S	.	.	H	α-helix	trans	-62.4	-38.3	177.6	-67.2	-2.9	0	0	0	112.1	L278 Y280 S281 T286 I287 D288 N438	L278-W284 HydrophobicContact CD1-CH2 4.4Å; L278-W284 HydrophobicContact CD1-CZ3 3.8Å; L278-W284 HydrophobicContact CG-CZ3 4.45Å; Y280-W284 HydrophobicContact CD2-CB 4.14Å; Y280-W284 AromaticContact CD2-CE3 3.83Å; Y280-W284 HydrophobicContact CD2-CE3 3.83Å; Y280-W284 HydrophobicContact CE2-CB 3.81Å; Y280-W284 HydrophobicContact CE2-CE3 4.39Å; S281-W284 PolarHBondContact O-N 3.47Å; S281-W284 PolarHBondContact OG-N 2.77Å; S281-W284 VanDerWaalsContact OG-N 3.09Å; W284-T286 PolarHBondContact O-N 3.24Å; W284-I287 PolarHBondContact O-N 2.9Å; W284-D288 WeakPolarHBondContact O-CB 3.46Å; W284-D288 VanDerWaalsContact O-CG 3.3Å; W284-D288 PolarHBondContact O-N 3.37Å; W284-N438 WeakPolarHBondContact CH2-ND2 3.42Å; W284-N438 WeakPolarHBondContact CH2-OD1 3.26Å; W284-N438 VanDerWaalsContact CZ3-ND2 3.28Å; W284-N438 WeakPolarHBondContact CZ3-ND2 3.42Å
285	M	85.3	Confident	84.8	Confident	40 Å²	40	49.2 Å²	49.2	20%	0.197	27%	0.268	C	S	.	.	H	α-helix	trans	-56.1	-37.8	171.5	-74.7	172.2	69.6	0	0	113	Y280 S281 E283 G289 F697	Y280-M285 HydrophobicContact CD1-CG 3.58Å; Y280-M285 HydrophobicContact CD1-SD 4.17Å; Y280-M285 HydrophobicContact CE1-CB 4.19Å; Y280-M285 HydrophobicContact CE1-CG 3.08Å; Y280-M285 HydrophobicContact CE1-SD 4.15Å; S281-M285 VanDerWaalsContact O-CG 3.27Å; S281-M285 WeakPolarHBondContact O-CG 3.34Å; S281-M285 PolarHBondContact O-N 3.46Å; E283-M285 VanDerWaalsContact C-N 3.3Å; E283-M285 PolarHBondContact O-N 3.28Å; M285-G289 PolarHBondContact O-N 3.25Å; M285-F697 HydrophobicContact CE-CD1 3.69Å; M285-F697 HydrophobicContact CE-CE1 3.17Å; M285-F697 HydrophobicContact CE-CZ 3.94Å
286	T	87.7	Confident	85	Confident	54 Å²	54	47.5 Å²	47.5	33%	0.331	26%	0.264	S	S	.	.	H	α-helix	trans	-77.9	-41.5	-178	-57.6	0	0	0	0	110.7	A282 E283 W284 G289 I290 Y672	A282-T286 PolarHBondContact O-N 2.8Å; A282-T286 VanDerWaalsContact O-N 3.15Å; A282-T286 PolarHBondContact O-OG1 2.85Å; E283-T286 WeakPolarHBondContact O-CB 3.29Å; E283-T286 PolarHBondContact O-N 3.48Å; W284-T286 PolarHBondContact O-N 3.24Å; T286-G289 PolarHBondContact O-N 3.48Å; T286-I290 HydrophobicContact CG2-CD1 4.08Å; T286-I290 VanDerWaalsContact O-CG1 3.26Å; T286-I290 WeakPolarHBondContact O-CG1 3.32Å; T286-I290 PolarHBondContact O-N 2.83Å; T286-Y672 WeakPolarHBondContact CB-OH 3.24Å; T286-Y672 WeakPolarHBondContact CG2-OH 3.47Å; T286-Y672 PolarHBondContact OG1-OH 3.44Å
287	I	86.6	Confident	85.4	Confident	43 Å²	43	46.8 Å²	46.8	22%	0.221	26%	0.263	C	S	.	.	H	α-helix	trans	-59.9	-53.6	173.9	-66.4	169.1	0	0	0	110.1	E283 W284 G289 I290 I291 W669	E283-I287 HydrophobicContact CG-CD1 4.04Å; E283-I287 WeakPolarHBondContact O-CG1 3.29Å; E283-I287 PolarHBondContact O-N 3.34Å; W284-I287 PolarHBondContact O-N 2.9Å; I287-G289 VanDerWaalsContact C-N 3.28Å; I287-G289 PolarHBondContact O-N 3.2Å; I287-I290 PolarHBondContact O-N 2.85Å; I287-I290 VanDerWaalsContact O-N 3.12Å; I287-I291 HydrophobicContact CG2-CD1 3.79Å; I287-I291 WeakPolarHBondContact O-CG1 3.43Å; I287-I291 PolarHBondContact O-N 2.99Å; I287-W669 HydrophobicContact CD1-CD2 4.49Å; I287-W669 HydrophobicContact CD1-CH2 4.34Å; I287-W669 HydrophobicContact CD1-CZ2 3.87Å; I287-W669 HydrophobicContact CG1-CH2 3.6Å; I287-W669 HydrophobicContact CG1-CZ2 3.57Å; I287-W669 HydrophobicContact CG1-CZ3 4.15Å
288	D	85	Confident	85.5	Confident	55 Å²	55	49.7 Å²	49.7	29%	0.294	28%	0.279	S	S	.	.	H	α-helix	trans	-61.5	-39.9	178.8	-70.4	-17.8	0	0	0	111	Y280 W284 I290 I291 M292	Y280-D288 VanDerWaalsContact CE2-OD2 3.31Å; Y280-D288 WeakPolarHBondContact CE2-OD2 3.29Å; Y280-D288 PolarHBondContact OH-OD2 3.19Å; W284-D288 WeakPolarHBondContact O-CB 3.46Å; W284-D288 VanDerWaalsContact O-CG 3.3Å; W284-D288 PolarHBondContact O-N 3.37Å; D288-I290 PolarHBondContact O-N 3.48Å; D288-I291 PolarHBondContact O-N 2.93Å; D288-M292 HydrophobicContact CB-CE 4Å; D288-M292 VanDerWaalsContact O-CB 3.3Å; D288-M292 WeakPolarHBondContact O-CB 3.2Å; D288-M292 VanDerWaalsContact O-CG 3.32Å; D288-M292 WeakPolarHBondContact O-CG 3.32Å; D288-M292 PolarHBondContact O-N 3.2Å
289	G	87.4	Confident	85.8	Confident	37 Å²	37	47.9 Å²	47.9	38%	0.381	27%	0.267	S	S	.	.	H	α-helix	trans	-59.8	-41.9	174.5	0	0	0	0	0	113.1	M285 T286 I287 G293	M285-G289 PolarHBondContact O-N 3.25Å; T286-G289 PolarHBondContact O-N 3.48Å; I287-G289 VanDerWaalsContact C-N 3.28Å; I287-G289 PolarHBondContact O-N 3.2Å; G289-G293 WeakPolarHBondContact O-CA 3.3Å; G289-G293 PolarHBondContact O-N 2.9Å
290	I	90.4	Very high	85.8	Confident	98 Å²	98	50.9 Å²	50.9	50%	0.503	28%	0.283	S	S	.	.	H	α-helix	trans	-67.1	-44.7	175.4	-70.7	163.4	0	0	0	110.6	T286 I287 D288 G293 S294 W669	T286-I290 HydrophobicContact CG2-CD1 4.08Å; T286-I290 VanDerWaalsContact O-CG1 3.26Å; T286-I290 WeakPolarHBondContact O-CG1 3.32Å; T286-I290 PolarHBondContact O-N 2.83Å; I287-I290 PolarHBondContact O-N 2.85Å; I287-I290 VanDerWaalsContact O-N 3.12Å; D288-I290 PolarHBondContact O-N 3.48Å; I290-G293 PolarHBondContact O-N 3.32Å; I290-S294 VanDerWaalsContact O-CB 3.22Å; I290-S294 WeakPolarHBondContact O-CB 3.38Å; I290-S294 PolarHBondContact O-N 3.2Å; I290-S294 PolarHBondContact O-OG 2.84Å; I290-W669 HydrophobicContact CD1-CH2 4.49Å
291	I	87	Confident	85.9	Confident	84 Å²	84	54.7 Å²	54.7	43%	0.431	30%	0.303	S	S	.	.	H	α-helix	trans	-63.2	-52.3	179.1	-66.8	169	0	0	0	110	I287 D288 G293 S294 L295	I287-I291 HydrophobicContact CG2-CD1 3.79Å; I287-I291 WeakPolarHBondContact O-CG1 3.43Å; I287-I291 PolarHBondContact O-N 2.99Å; D288-I291 PolarHBondContact O-N 2.93Å; I291-G293 PolarHBondContact O-N 2.78Å; I291-S294 PolarHBondContact O-N 3.42Å; I291-S294 PolarHBondContact O-OG 3.38Å; I291-L295 HydrophobicContact CG2-CD1 3.92Å; I291-L295 WeakPolarHBondContact O-CB 3.44Å; I291-L295 WeakPolarHBondContact O-CG 3.31Å; I291-L295 PolarHBondContact O-N 2.92Å
292	M	83.9	Confident	85.6	Confident	53 Å²	53	56.2 Å²	56.2	26%	0.261	31%	0.311	S	S	.	.	H	α-helix	trans	-61.9	-43.3	178.3	-71.5	-171.5	-76.1	0	0	111.7	D288 A296 A339	D288-M292 HydrophobicContact CB-CE 4Å; D288-M292 VanDerWaalsContact O-CB 3.3Å; D288-M292 WeakPolarHBondContact O-CB 3.2Å; D288-M292 VanDerWaalsContact O-CG 3.32Å; D288-M292 WeakPolarHBondContact O-CG 3.32Å; D288-M292 PolarHBondContact O-N 3.2Å; M292-A296 VanDerWaalsContact O-CB 3.29Å; M292-A296 WeakPolarHBondContact O-CB 3.34Å; M292-A296 PolarHBondContact O-N 3.39Å; M292-A339 HydrophobicContact SD-CB 3.91Å
293	G	87.3	Confident	85.2	Confident	31 Å²	31	56.4 Å²	56.4	32%	0.32	31%	0.314	S	S	.	.	H	α-helix	trans	-62.6	-45.3	177.5	0	0	0	0	0	112.5	G289 I290 I291 A296 I297	G289-G293 WeakPolarHBondContact O-CA 3.3Å; G289-G293 PolarHBondContact O-N 2.9Å; I290-G293 PolarHBondContact O-N 3.32Å; I291-G293 PolarHBondContact O-N 2.78Å; G293-A296 PolarHBondContact O-N 3.46Å; G293-I297 WeakPolarHBondContact O-CB 3.38Å; G293-I297 VanDerWaalsContact O-CG1 3.24Å; G293-I297 WeakPolarHBondContact O-CG1 3.25Å; G293-I297 PolarHBondContact O-N 2.93Å
294	S	88.8	Confident	84.7	Confident	61 Å²	61	60.2 Å²	60.2	43%	0.427	34%	0.337	S	S	.	.	H	α-helix	trans	-66.7	-41.6	178.5	63.9	0	0	0	0	112.5	I290 I291 I297 L298	I290-S294 VanDerWaalsContact O-CB 3.22Å; I290-S294 WeakPolarHBondContact O-CB 3.38Å; I290-S294 PolarHBondContact O-N 3.2Å; I290-S294 PolarHBondContact O-OG 2.84Å; I291-S294 PolarHBondContact O-N 3.42Å; I291-S294 PolarHBondContact O-OG 3.38Å; S294-I297 PolarHBondContact O-N 2.95Å; S294-L298 VanDerWaalsContact O-CB 3.29Å; S294-L298 WeakPolarHBondContact O-CB 3.42Å; S294-L298 PolarHBondContact O-N 3.44Å
295	L	84.9	Confident	84	Confident	102 Å²	102	62 Å²	62	53%	0.534	34%	0.344	S	S	.	.	H	α-helix	trans	-64.1	-40.8	174.4	-72	173.5	0	0	0	111.8	I291 L298 Y299	I291-L295 HydrophobicContact CG2-CD1 3.92Å; I291-L295 WeakPolarHBondContact O-CB 3.44Å; I291-L295 WeakPolarHBondContact O-CG 3.31Å; I291-L295 PolarHBondContact O-N 2.92Å; L295-L298 PolarHBondContact O-N 3.49Å; L295-Y299 VanDerWaalsContact O-CB 3.29Å; L295-Y299 WeakPolarHBondContact O-CB 3.46Å; L295-Y299 PolarHBondContact O-N 2.7Å
296	A	84.3	Confident	83.3	Confident	19 Å²	19	61.3 Å²	61.3	16%	0.157	34%	0.342	C	S	.	.	H	α-helix	trans	-64.3	-44.7	175.6	0	0	0	0	0	111.7	M292 G293 Y299 I300	M292-A296 VanDerWaalsContact O-CB 3.29Å; M292-A296 WeakPolarHBondContact O-CB 3.34Å; M292-A296 PolarHBondContact O-N 3.39Å; G293-A296 PolarHBondContact O-N 3.46Å; A296-Y299 PolarHBondContact O-N 2.95Å; A296-I300 VanDerWaalsContact O-CG1 3.25Å; A296-I300 WeakPolarHBondContact O-CG1 3.35Å; A296-I300 PolarHBondContact O-N 2.85Å
297	I	87.7	Confident	82.4	Confident	103 Å²	103	59.9 Å²	59.9	53%	0.528	33%	0.334	S	S	.	.	H	α-helix	trans	-61.7	-46.1	175.5	-70.4	165.9	0	0	0	110.4	G293 S294 Y299 I300 I301	G293-I297 WeakPolarHBondContact O-CB 3.38Å; G293-I297 VanDerWaalsContact O-CG1 3.24Å; G293-I297 WeakPolarHBondContact O-CG1 3.25Å; G293-I297 PolarHBondContact O-N 2.93Å; S294-I297 PolarHBondContact O-N 2.95Å; I297-Y299 VanDerWaalsContact C-N 3.34Å; I297-Y299 PolarHBondContact O-N 2.89Å; I297-I300 PolarHBondContact O-N 3.34Å; I297-I301 HydrophobicContact CG2-CD1 3.7Å; I297-I301 HydrophobicContact CG2-CG1 4.33Å; I297-I301 VanDerWaalsContact O-CG1 3.29Å; I297-I301 WeakPolarHBondContact O-CG1 3.25Å; I297-I301 PolarHBondContact O-N 2.95Å
298	L	84.6	Confident	81.4	Confident	92 Å²	92	62.5 Å²	62.5	48%	0.482	35%	0.353	S	S	.	.	H	α-helix	trans	-60.5	-44.2	177.4	-179.4	62.3	0	0	0	111.3	S294 L295 I300 I301 I302	S294-L298 VanDerWaalsContact O-CB 3.29Å; S294-L298 WeakPolarHBondContact O-CB 3.42Å; S294-L298 PolarHBondContact O-N 3.44Å; L295-L298 PolarHBondContact O-N 3.49Å; L298-I300 VanDerWaalsContact C-N 3.3Å; L298-I300 PolarHBondContact O-N 2.85Å; L298-I301 PolarHBondContact O-N 3.4Å; L298-I302 HydrophobicContact CD1-CD1 4.06Å; L298-I302 HydrophobicContact CD1-CG1 4.27Å; L298-I302 HydrophobicContact CG-CD1 3.85Å; L298-I302 HydrophobicContact CG-CG1 4.48Å; L298-I302 VanDerWaalsContact O-CG1 3.25Å; L298-I302 WeakPolarHBondContact O-CG1 3.26Å; L298-I302 PolarHBondContact O-N 3.45Å
299	Y	83.6	Confident	80.5	Confident	40 Å²	40	66 Å²	66	16%	0.157	37%	0.373	C	S	.	.	H	α-helix	trans	-61.4	-38.7	176.4	-169.9	-92.1	0	0	0	112.1	L295 A296 I297 G303 F322 W328 G331 F332 I335	L295-Y299 VanDerWaalsContact O-CB 3.29Å; L295-Y299 WeakPolarHBondContact O-CB 3.46Å; L295-Y299 PolarHBondContact O-N 2.7Å; A296-Y299 PolarHBondContact O-N 2.95Å; I297-Y299 VanDerWaalsContact C-N 3.34Å; I297-Y299 PolarHBondContact O-N 2.89Å; Y299-G303 PolarHBondContact O-N 2.99Å; Y299-G303 VanDerWaalsContact O-N 3.07Å; Y299-F322 AromaticContact CD2-CZ 3.98Å; Y299-F322 HydrophobicContact CD2-CZ 3.98Å; Y299-F322 HydrophobicContact CE1-CZ 4.46Å; Y299-F322 AromaticContact CE2-CE1 3.64Å; Y299-F322 HydrophobicContact CE2-CE1 3.64Å; Y299-F322 HydrophobicContact CE2-CE2 4.49Å; Y299-F322 AromaticContact CE2-CZ 3.37Å; Y299-F322 HydrophobicContact CE2-CZ 3.37Å; Y299-F322 AromaticContact CZ-CE1 3.71Å; Y299-F322 AromaticContact CZ-CZ 3.65Å; Y299-F322 WeakPolarHBondContact OH-CE1 3.31Å; Y299-W328 AromaticContact CD1-CD1 3.94Å; Y299-W328 AromaticContact CD1-NE1 3.44Å; Y299-W328 AromaticContact CE1-CD1 3.32Å; Y299-W328 HydrophobicContact CE1-CG 4.15Å; Y299-W328 AromaticContact CE1-NE1 3.28Å; Y299-W328 VanDerWaalsContact CE1-NE1 3.28Å; Y299-W328 WeakPolarHBondContact CE1-O 3.33Å; Y299-W328 AromaticContact CZ-CD1 3.74Å; Y299-W328 PolarHBondContact O-NE1 2.96Å; Y299-W328 PolarHBondContact OH-O 3.38Å; Y299-G331 WeakPolarHBondContact OH-CA 3.34Å; Y299-F332 HydrophobicContact CD1-CB 4.23Å; Y299-F332 HydrophobicContact CD1-CD2 4.28Å; Y299-F332 HydrophobicContact CE1-CB 3.9Å; Y299-I335 HydrophobicContact CD1-CD1 3.95Å; Y299-I335 HydrophobicContact CD2-CD1 3.75Å; Y299-I335 HydrophobicContact CE1-CD1 4.27Å; Y299-I335 HydrophobicContact CE2-CD1 4.07Å; Y299-I335 HydrophobicContact CG-CD1 3.68Å
300	I	83.4	Confident	79.3	Confident	63 Å²	63	67.7 Å²	67.7	32%	0.323	37%	0.372	S	S	.	.	H	α-helix	trans	-65.6	-47.2	173.9	-67.2	163	0	0	0	110.9	A296 I297 L298 I302 G303 V304 W328 F332	A296-I300 VanDerWaalsContact O-CG1 3.25Å; A296-I300 WeakPolarHBondContact O-CG1 3.35Å; A296-I300 PolarHBondContact O-N 2.85Å; I297-I300 PolarHBondContact O-N 3.34Å; L298-I300 VanDerWaalsContact C-N 3.3Å; L298-I300 PolarHBondContact O-N 2.85Å; I300-I302 PolarHBondContact O-N 3.2Å; I300-G303 PolarHBondContact O-N 2.94Å; I300-V304 HydrophobicContact CG2-CG2 4.11Å; I300-V304 WeakPolarHBondContact O-CG2 3.22Å; I300-V304 PolarHBondContact O-N 3.26Å; I300-W328 HydrophobicContact CB-CZ2 4.47Å; I300-W328 HydrophobicContact CG1-CZ2 4.29Å; I300-F332 HydrophobicContact CD1-CE2 3.76Å; I300-F332 HydrophobicContact CD1-CZ 4.21Å; I300-F332 HydrophobicContact CG1-CD2 4.16Å; I300-F332 HydrophobicContact CG1-CE2 3.88Å
301	I	82.9	Confident	77.8	Confident	99 Å²	99	71.9 Å²	71.9	51%	0.508	39%	0.389	S	S	.	.	H	α-helix	trans	-59.2	-47.1	179.5	-70.1	167.6	0	0	0	110.5	I297 L298 G303 V304 Y305	I297-I301 HydrophobicContact CG2-CD1 3.7Å; I297-I301 HydrophobicContact CG2-CG1 4.33Å; I297-I301 VanDerWaalsContact O-CG1 3.29Å; I297-I301 WeakPolarHBondContact O-CG1 3.25Å; I297-I301 PolarHBondContact O-N 2.95Å; L298-I301 PolarHBondContact O-N 3.4Å; I301-G303 VanDerWaalsContact C-N 3.31Å; I301-G303 PolarHBondContact O-N 2.85Å; I301-V304 PolarHBondContact O-N 3.35Å; I301-Y305 WeakPolarHBondContact O-CB 3.23Å; I301-Y305 PolarHBondContact O-N 2.79Å
302	I	79	Confident	76.5	Confident	33 Å²	33	71.7 Å²	71.7	17%	0.169	39%	0.386	C	S	.	.	H	α-helix	trans	-61.9	-41.6	178.4	-63.4	163.3	0	0	0	110.3	L298 I300 N306 F320 F322	L298-I302 HydrophobicContact CD1-CD1 4.06Å; L298-I302 HydrophobicContact CD1-CG1 4.27Å; L298-I302 HydrophobicContact CG-CD1 3.85Å; L298-I302 HydrophobicContact CG-CG1 4.48Å; L298-I302 VanDerWaalsContact O-CG1 3.25Å; L298-I302 WeakPolarHBondContact O-CG1 3.26Å; L298-I302 PolarHBondContact O-N 3.45Å; I300-I302 PolarHBondContact O-N 3.2Å; I302-N306 WeakPolarHBondContact CG2-ND2 3.29Å; I302-N306 WeakPolarHBondContact O-CB 3.35Å; I302-N306 PolarHBondContact O-N 3.49Å; I302-N306 PolarHBondContact O-ND2 2.89Å; I302-F320 HydrophobicContact CD1-CD1 3.88Å; I302-F320 HydrophobicContact CD1-CE1 3.83Å; I302-F320 HydrophobicContact CG1-CD1 4.26Å; I302-F320 HydrophobicContact CG2-CB 4.38Å; I302-F320 HydrophobicContact CG2-CD1 3.93Å; I302-F322 HydrophobicContact CB-CE2 4.2Å; I302-F322 HydrophobicContact CG2-CD2 4.28Å; I302-F322 HydrophobicContact CG2-CE2 3.57Å; I302-F322 HydrophobicContact CG2-CZ 4.39Å
303	G	76.2	Confident	75.1	Confident	11 Å²	11	80.7 Å²	80.7	11%	0.113	42%	0.417	C	S	.	.	H	α-helix	trans	-66	-45.6	177.9	0	0	0	0	0	114.1	Y299 I300 I301 N306 S307 W328	Y299-G303 PolarHBondContact O-N 2.99Å; Y299-G303 VanDerWaalsContact O-N 3.07Å; I300-G303 PolarHBondContact O-N 2.94Å; I301-G303 VanDerWaalsContact C-N 3.31Å; I301-G303 PolarHBondContact O-N 2.85Å; G303-N306 PolarHBondContact O-N 2.8Å; G303-S307 PolarHBondContact O-N 3.36Å; G303-W328 VanDerWaalsContact CA-NE1 3.35Å
304	V	76.9	Confident	73.7	Confident	82 Å²	82	86.5 Å²	86.5	50%	0.497	44%	0.436	S	S	.	.	H	α-helix	trans	-65.8	-44.4	177.7	172.5	0	0	0	0	110.1	I300 I301 N306 S307 I310	I300-V304 HydrophobicContact CG2-CG2 4.11Å; I300-V304 WeakPolarHBondContact O-CG2 3.22Å; I300-V304 PolarHBondContact O-N 3.26Å; I301-V304 PolarHBondContact O-N 3.35Å; V304-N306 PolarHBondContact O-N 3.19Å; V304-S307 WeakPolarHBondContact O-CB 3.18Å; V304-S307 PolarHBondContact O-N 3.14Å; V304-S307 VanDerWaalsContact O-N 3.09Å; V304-I310 VanDerWaalsContact O-CD1 3.25Å; V304-I310 WeakPolarHBondContact O-CD1 3.32Å
305	Y	72.2	Confident	72.1	Confident	101 Å²	101	95.7 Å²	95.7	40%	0.396	46%	0.461	S	S	.	.	H	α-helix	trans	-61.2	-43.7	178.1	-170.7	-92	0	0	0	110.9	I301 S307 H312 L316	I301-Y305 WeakPolarHBondContact O-CB 3.23Å; I301-Y305 PolarHBondContact O-N 2.79Å; Y305-S307 PolarHBondContact O-N 2.83Å; Y305-S307 VanDerWaalsContact O-N 3.16Å; Y305-H312 AromaticContact CE1-CE1 3.87Å; Y305-H312 AromaticContact CE1-ND1 3.78Å; Y305-H312 AromaticContact CZ-ND1 3.8Å; Y305-H312 PolarHBondContact O-CE1 3.02Å; Y305-H312 PolarHBondContact O-NE2 3.45Å; Y305-L316 HydrophobicContact CD1-CD1 3.6Å; Y305-L316 HydrophobicContact CE1-CD1 3.56Å; Y305-L316 HydrophobicContact CE1-CG 4.16Å
306	N	70.4	Confident	70.7	Confident	27 Å²	27	93.7 Å²	93.7	14%	0.144	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	8.6	176.2	-71.9	-49.4	0	0	0	114.9	I302 G303 V304 L316 F320	I302-N306 WeakPolarHBondContact CG2-ND2 3.29Å; I302-N306 WeakPolarHBondContact O-CB 3.35Å; I302-N306 PolarHBondContact O-N 3.49Å; I302-N306 PolarHBondContact O-ND2 2.89Å; G303-N306 PolarHBondContact O-N 2.8Å; V304-N306 PolarHBondContact O-N 3.19Å; N306-L316 WeakPolarHBondContact OD1-CD1 3.29Å; N306-F320 PolarHBondContact ND2-O 2.91Å
307	S	68.9	Low	69.5	Low	24 Å²	24	96.6 Å²	96.6	17%	0.168	47%	0.468	C	S	.	.			trans	-67.6	131.4	177.9	-175.5	0	0	0	0	109.9	G303 V304 Y305 N309 I310	G303-S307 PolarHBondContact O-N 3.36Å; V304-S307 WeakPolarHBondContact O-CB 3.18Å; V304-S307 PolarHBondContact O-N 3.14Å; V304-S307 VanDerWaalsContact O-N 3.09Å; Y305-S307 PolarHBondContact O-N 2.83Å; Y305-S307 VanDerWaalsContact O-N 3.16Å; S307-N309 PolarHBondContact O-N 2.9Å; S307-I310 PolarHBondContact O-N 3.31Å
308	P	65.6	Low	68.2	Low	97 Å²	97	99.8 Å²	99.8	63%	0.63	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-12.1	-175.5	20.2	-32.7	0	0	0	115	I310	P308-I310 VanDerWaalsContact C-N 3.28Å
309	N	65.2	Low	67	Low	130 Å²	130	104.5 Å²	104.5	70%	0.695	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-7.9	177.2	-63.5	9.6	0	0	0	113	S307	S307-N309 PolarHBondContact O-N 2.9Å
310	I	62.6	Low	65.7	Low	72 Å²	72	106.4 Å²	106.4	37%	0.369	51%	0.507	S	S	.	.	S	Bend	trans	-105.6	111.3	-179.2	-55.2	-177.4	0	0	0	108.3	V304 S307 P308 H312	V304-I310 VanDerWaalsContact O-CD1 3.25Å; V304-I310 WeakPolarHBondContact O-CD1 3.32Å; S307-I310 PolarHBondContact O-N 3.31Å; P308-I310 VanDerWaalsContact C-N 3.28Å; I310-H312 PolarHBondContact O-CD2 3.42Å; I310-H312 PolarHBondContact O-CE1 3.29Å; I310-H312 VanDerWaalsContact O-CE1 3.3Å; I310-H312 PolarHBondContact O-N 2.91Å; I310-H312 PolarHBondContact O-NE2 2.87Å
311	H	57.7	Low	64.6	Low	185 Å²	185	108 Å²	108	86%	0.856	52%	0.515	S	S	*	.			trans	-75.9	120.7	176.2	-72.5	-61.9	0	0	0	111
312	H	60.6	Low	63.6	Low	80 Å²	80	106.2 Å²	106.2	37%	0.37	50%	0.504	S	S	.	.			trans	-95.3	141.4	-175.8	-55.3	-53.2	0	0	0	113	Y305 I310	Y305-H312 AromaticContact CE1-CE1 3.87Å; Y305-H312 AromaticContact CE1-ND1 3.78Å; Y305-H312 AromaticContact CZ-ND1 3.8Å; Y305-H312 PolarHBondContact O-CE1 3.02Å; Y305-H312 PolarHBondContact O-NE2 3.45Å; I310-H312 PolarHBondContact O-CD2 3.42Å; I310-H312 PolarHBondContact O-CE1 3.29Å; I310-H312 VanDerWaalsContact O-CE1 3.3Å; I310-H312 PolarHBondContact O-N 2.91Å; I310-H312 PolarHBondContact O-NE2 2.87Å
313	R	55.2	Low	62.8	Low	243 Å²	243	109.9 Å²	109.9	92%	0.917	53%	0.53	S	S	*	.	S	Bend	trans	-87.6	-21	167.9	-74.8	-174	175.7	-176	-0.8	113.7
314	H	56.2	Low	62.5	Low	153 Å²	153	111.7 Å²	111.7	71%	0.708	54%	0.541	S	S	*	.	S	Bend	trans	-124.1	135.8	-177.4	-66.8	-62.6	0	0	0	111.5	L316	H314-L316 PolarHBondContact O-N 2.9Å
315	R	55.5	Low	62.3	Low	253 Å²	253	113.2 Å²	113.2	96%	0.955	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-72	119.9	174	-67.4	-172.9	-179.6	-171.4	0.4	108.9
316	L	56.8	Low	62.5	Low	60 Å²	60	118.5 Å²	118.5	31%	0.314	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-70.5	151.1	168.2	-80.8	168.4	0	0	0	110.1	Y305 N306 H314 E318	Y305-L316 HydrophobicContact CD1-CD1 3.6Å; Y305-L316 HydrophobicContact CE1-CD1 3.56Å; Y305-L316 HydrophobicContact CE1-CG 4.16Å; N306-L316 WeakPolarHBondContact OD1-CD1 3.29Å; H314-L316 PolarHBondContact O-N 2.9Å; L316-E318 PolarHBondContact O-N 3.48Å
317	P	58.3	Low	62.7	Low	80 Å²	80	121.2 Å²	121.2	52%	0.519	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-55.4	136.9	167.1	-17.6	28.2	0	0	0	109.7	F319 F320	P317-F319 PolarHBondContact O-N 2.86Å; P317-F320 HydrophobicContact CB-CD2 4.25Å; P317-F320 HydrophobicContact CG-CD2 4.12Å; P317-F320 HydrophobicContact CG-CE2 4.4Å; P317-F320 PolarHBondContact O-N 2.9Å
318	E	60	Low	63.2	Low	171 Å²	171	122.6 Å²	122.6	80%	0.799	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-52.8	-27.6	-176.6	-73.9	178.3	169.4	0	0	113.4	L316 F320 L321	L316-E318 PolarHBondContact O-N 3.48Å; E318-F320 PolarHBondContact O-N 3.36Å; E318-F320 VanDerWaalsContact O-N 3.16Å; E318-L321 HydrophobicContact CG-CD1 4.46Å; E318-L321 PolarHBondContact O-N 3.12Å
319	F	59.7	Low	63.9	Low	190 Å²	190	123.5 Å²	123.5	83%	0.833	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-56.8	-27.5	175.6	-172.4	-96.9	0	0	0	114.3	P317	P317-F319 PolarHBondContact O-N 2.86Å
320	F	57.2	Low	64.8	Low	81 Å²	81	121.9 Å²	121.9	36%	0.355	56%	0.564	S	S	.	*	G	3₁₀ helix	trans	-89.2	-9.4	179.1	-73.5	-76.6	0	0	0	113.7	I302 N306 P317 E318 F322	I302-F320 HydrophobicContact CD1-CD1 3.88Å; I302-F320 HydrophobicContact CD1-CE1 3.83Å; I302-F320 HydrophobicContact CG1-CD1 4.26Å; I302-F320 HydrophobicContact CG2-CB 4.38Å; I302-F320 HydrophobicContact CG2-CD1 3.93Å; N306-F320 PolarHBondContact ND2-O 2.91Å; P317-F320 HydrophobicContact CB-CD2 4.25Å; P317-F320 HydrophobicContact CG-CD2 4.12Å; P317-F320 HydrophobicContact CG-CE2 4.4Å; P317-F320 PolarHBondContact O-N 2.9Å; E318-F320 PolarHBondContact O-N 3.36Å; E318-F320 VanDerWaalsContact O-N 3.16Å; F320-F322 PolarHBondContact O-N 3.46Å
321	L	59.3	Low	65.7	Low	96 Å²	96	119.4 Å²	119.4	50%	0.503	56%	0.556	S	S	.	*			trans	-79.2	110.5	-176.4	-65.7	173.7	0	0	0	110.2	E318	E318-L321 HydrophobicContact CG-CD1 4.46Å; E318-L321 PolarHBondContact O-N 3.12Å
322	F	62.2	Low	66.9	Low	61 Å²	61	112.7 Å²	112.7	27%	0.268	53%	0.525	S	S	.	.			trans	-72.1	127.4	168.2	-68.8	-72.3	0	0	0	109.3	Y299 I302 F320 S324 W328	Y299-F322 AromaticContact CD2-CZ 3.98Å; Y299-F322 HydrophobicContact CD2-CZ 3.98Å; Y299-F322 HydrophobicContact CE1-CZ 4.46Å; Y299-F322 AromaticContact CE2-CE1 3.64Å; Y299-F322 HydrophobicContact CE2-CE1 3.64Å; Y299-F322 HydrophobicContact CE2-CE2 4.49Å; Y299-F322 AromaticContact CE2-CZ 3.37Å; Y299-F322 HydrophobicContact CE2-CZ 3.37Å; Y299-F322 AromaticContact CZ-CE1 3.71Å; Y299-F322 AromaticContact CZ-CZ 3.65Å; Y299-F322 WeakPolarHBondContact OH-CE1 3.31Å; I302-F322 HydrophobicContact CB-CE2 4.2Å; I302-F322 HydrophobicContact CG2-CD2 4.28Å; I302-F322 HydrophobicContact CG2-CE2 3.57Å; I302-F322 HydrophobicContact CG2-CZ 4.39Å; F320-F322 PolarHBondContact O-N 3.46Å; F322-S324 PolarHBondContact O-N 2.79Å; F322-S324 VanDerWaalsContact O-N 3.08Å; F322-W328 HydrophobicContact CB-CB 4.16Å; F322-W328 HydrophobicContact CD1-CB 4.24Å; F322-W328 HydrophobicContact CD2-CB 4.27Å; F322-W328 AromaticContact CD2-CD1 3.74Å; F322-W328 HydrophobicContact CD2-CG 4.32Å; F322-W328 AromaticContact CE2-CD1 3.55Å; F322-W328 HydrophobicContact CG-CB 3.96Å; F322-W328 HydrophobicContact CG-CG 4.46Å; F322-W328 AromaticContact CZ-CD1 3.88Å
323	P	62.5	Low	68.2	Low	110 Å²	110	112.1 Å²	112.1	71%	0.714	52%	0.524	S	S	*	.	S	Bend	trans	-63.5	-22.5	-174.5	-7.5	12.7	0	0	0	113	I327	P323-I327 HydrophobicContact CB-CD1 3.74Å; P323-I327 HydrophobicContact CG-CD1 3.68Å
324	S	69.5	Low	69.6	Low	49 Å²	49	102.7 Å²	102.7	34%	0.343	50%	0.498	S	S	.	.			trans	-161.1	159.4	173.3	68.9	0	0	0	0	112.6	F322 R326 I327 W328	F322-S324 PolarHBondContact O-N 2.79Å; F322-S324 VanDerWaalsContact O-N 3.08Å; S324-R326 PolarHBondContact O-N 3.36Å; S324-I327 PolarHBondContact O-N 2.94Å; S324-I327 VanDerWaalsContact O-N 3.14Å; S324-I327 WeakPolarHBondContact OG-CD1 3.47Å; S324-I327 WeakPolarHBondContact OG-CG1 3.26Å; S324-I327 PolarHBondContact OG-N 2.55Å; S324-W328 PolarHBondContact O-N 3.37Å; S324-W328 VanDerWaalsContact O-N 3.14Å
325	K	73.6	Confident	71	Confident	115 Å²	115	98.2 Å²	98.2	50%	0.5	48%	0.479	S	S	.	.	H	α-helix	trans	-54.6	-34.2	170.3	-68.7	-175.4	-179	178.9	0	112.6	F329	K325-F329 WeakPolarHBondContact O-CB 3.42Å; K325-F329 PolarHBondContact O-N 3.02Å
326	R	75.9	Confident	72.4	Confident	211 Å²	211	90.2 Å²	90.2	80%	0.796	45%	0.454	S	S	*	.	H	α-helix	trans	-66.2	-44.7	177.4	-74.3	-170.9	-180	-160.3	1.1	111.6	S324 F329 V330	S324-R326 PolarHBondContact O-N 3.36Å; R326-F329 PolarHBondContact O-N 3.46Å; R326-V330 WeakPolarHBondContact O-CB 3.32Å; R326-V330 VanDerWaalsContact O-CG2 3.28Å; R326-V330 WeakPolarHBondContact O-CG2 3.26Å; R326-V330 PolarHBondContact O-N 3.11Å
327	I	74.9	Confident	73.9	Confident	85 Å²	85	91.8 Å²	91.8	44%	0.436	46%	0.462	S	S	.	.	H	α-helix	trans	-65.6	-42	-179.7	-68.1	166.1	0	0	0	110.7	P323 S324 V330 G331	P323-I327 HydrophobicContact CB-CD1 3.74Å; P323-I327 HydrophobicContact CG-CD1 3.68Å; S324-I327 PolarHBondContact O-N 2.94Å; S324-I327 VanDerWaalsContact O-N 3.14Å; S324-I327 WeakPolarHBondContact OG-CD1 3.47Å; S324-I327 WeakPolarHBondContact OG-CG1 3.26Å; S324-I327 PolarHBondContact OG-N 2.55Å; I327-V330 PolarHBondContact O-N 3.03Å; I327-G331 PolarHBondContact O-N 3.43Å
328	W	79.6	Confident	75.3	Confident	53 Å²	53	91.9 Å²	91.9	20%	0.201	46%	0.461	C	S	.	.	H	α-helix	trans	-59.6	-46.8	172.9	172.8	78.2	0	0	0	112.1	Y299 I300 G303 F322 S324 V330 G331 F332	Y299-W328 AromaticContact CD1-CD1 3.94Å; Y299-W328 AromaticContact CD1-NE1 3.44Å; Y299-W328 AromaticContact CE1-CD1 3.32Å; Y299-W328 HydrophobicContact CE1-CG 4.15Å; Y299-W328 AromaticContact CE1-NE1 3.28Å; Y299-W328 VanDerWaalsContact CE1-NE1 3.28Å; Y299-W328 WeakPolarHBondContact CE1-O 3.33Å; Y299-W328 AromaticContact CZ-CD1 3.74Å; Y299-W328 PolarHBondContact O-NE1 2.96Å; Y299-W328 PolarHBondContact OH-O 3.38Å; I300-W328 HydrophobicContact CB-CZ2 4.47Å; I300-W328 HydrophobicContact CG1-CZ2 4.29Å; G303-W328 VanDerWaalsContact CA-NE1 3.35Å; F322-W328 HydrophobicContact CB-CB 4.16Å; F322-W328 HydrophobicContact CD1-CB 4.24Å; F322-W328 HydrophobicContact CD2-CB 4.27Å; F322-W328 AromaticContact CD2-CD1 3.74Å; F322-W328 HydrophobicContact CD2-CG 4.32Å; F322-W328 AromaticContact CE2-CD1 3.55Å; F322-W328 HydrophobicContact CG-CB 3.96Å; F322-W328 HydrophobicContact CG-CG 4.46Å; F322-W328 AromaticContact CZ-CD1 3.88Å; S324-W328 PolarHBondContact O-N 3.37Å; S324-W328 VanDerWaalsContact O-N 3.14Å; W328-V330 PolarHBondContact O-N 3.23Å; W328-G331 PolarHBondContact O-N 3.47Å; W328-F332 PolarHBondContact O-N 3.3Å
329	F	80.4	Confident	76.5	Confident	116 Å²	116	84.9 Å²	84.9	51%	0.509	43%	0.432	S	S	.	.	H	α-helix	trans	-63.2	-42.8	178.8	-176.2	-102.4	0	0	0	112.3	K325 R326 G331 F332 I333	K325-F329 WeakPolarHBondContact O-CB 3.42Å; K325-F329 PolarHBondContact O-N 3.02Å; R326-F329 PolarHBondContact O-N 3.46Å; F329-G331 VanDerWaalsContact C-N 3.34Å; F329-G331 PolarHBondContact O-N 2.79Å; F329-F332 PolarHBondContact O-N 3.44Å; F329-I333 HydrophobicContact CD1-CG1 4.32Å; F329-I333 HydrophobicContact CE1-CD1 4.42Å; F329-I333 HydrophobicContact CE1-CG1 3.94Å; F329-I333 HydrophobicContact CZ-CD1 4.1Å; F329-I333 HydrophobicContact CZ-CG1 4.08Å; F329-I333 WeakPolarHBondContact O-CG1 3.43Å; F329-I333 PolarHBondContact O-N 3.19Å
330	V	82.4	Confident	77.8	Confident	96 Å²	96	81.9 Å²	81.9	58%	0.582	42%	0.419	S	S	*	.	H	α-helix	trans	-61.6	-42.9	175	170.8	0	0	0	0	111	R326 I327 W328 F332 I333 A334	R326-V330 WeakPolarHBondContact O-CB 3.32Å; R326-V330 VanDerWaalsContact O-CG2 3.28Å; R326-V330 WeakPolarHBondContact O-CG2 3.26Å; R326-V330 PolarHBondContact O-N 3.11Å; I327-V330 PolarHBondContact O-N 3.03Å; W328-V330 PolarHBondContact O-N 3.23Å; V330-F332 VanDerWaalsContact C-N 3.35Å; V330-F332 PolarHBondContact O-N 2.82Å; V330-I333 PolarHBondContact O-N 3.19Å; V330-A334 WeakPolarHBondContact O-CB 3.37Å; V330-A334 PolarHBondContact O-N 3.12Å
331	G	82.7	Confident	79.2	Confident	20 Å²	20	82.6 Å²	82.6	21%	0.206	43%	0.426	C	S	.	.	H	α-helix	trans	-63.4	-38.5	176.1	0	0	0	0	0	112.9	Y299 I327 W328 F329 A334 I335	Y299-G331 WeakPolarHBondContact OH-CA 3.34Å; I327-G331 PolarHBondContact O-N 3.43Å; W328-G331 PolarHBondContact O-N 3.47Å; F329-G331 VanDerWaalsContact C-N 3.34Å; F329-G331 PolarHBondContact O-N 2.79Å; G331-A334 WeakPolarHBondContact O-CB 3.26Å; G331-A334 PolarHBondContact O-N 3.35Å; G331-I335 WeakPolarHBondContact O-CG1 3.44Å; G331-I335 PolarHBondContact O-N 2.83Å
332	F	83.3	Confident	80.3	Confident	43 Å²	43	81.3 Å²	81.3	19%	0.189	42%	0.418	C	S	.	.	H	α-helix	trans	-62.9	-46	173.7	-179.4	-108.6	0	0	0	112.2	Y299 I300 W328 F329 V330 A334 I335 L336	Y299-F332 HydrophobicContact CD1-CB 4.23Å; Y299-F332 HydrophobicContact CD1-CD2 4.28Å; Y299-F332 HydrophobicContact CE1-CB 3.9Å; I300-F332 HydrophobicContact CD1-CE2 3.76Å; I300-F332 HydrophobicContact CD1-CZ 4.21Å; I300-F332 HydrophobicContact CG1-CD2 4.16Å; I300-F332 HydrophobicContact CG1-CE2 3.88Å; W328-F332 PolarHBondContact O-N 3.3Å; F329-F332 PolarHBondContact O-N 3.44Å; V330-F332 VanDerWaalsContact C-N 3.35Å; V330-F332 PolarHBondContact O-N 2.82Å; F332-A334 VanDerWaalsContact C-N 3.29Å; F332-A334 PolarHBondContact O-N 3.31Å; F332-I335 PolarHBondContact O-N 2.95Å; F332-L336 HydrophobicContact CD1-CD1 4.2Å; F332-L336 HydrophobicContact CE1-CD1 3.65Å; F332-L336 HydrophobicContact CE1-CG 4.29Å; F332-L336 HydrophobicContact CZ-CD1 3.99Å; F332-L336 HydrophobicContact CZ-CD2 4.4Å; F332-L336 HydrophobicContact CZ-CG 4.27Å; F332-L336 PolarHBondContact O-N 3.38Å; F332-L336 VanDerWaalsContact O-N 3.1Å
333	I	86.4	Confident	81.2	Confident	68 Å²	68	82.5 Å²	82.5	35%	0.349	43%	0.427	S	S	.	.	H	α-helix	trans	-60.7	-40	174.4	-65.3	-62.2	0	0	0	110.9	F329 V330 I335 L336 I337	F329-I333 HydrophobicContact CD1-CG1 4.32Å; F329-I333 HydrophobicContact CE1-CD1 4.42Å; F329-I333 HydrophobicContact CE1-CG1 3.94Å; F329-I333 HydrophobicContact CZ-CD1 4.1Å; F329-I333 HydrophobicContact CZ-CG1 4.08Å; F329-I333 WeakPolarHBondContact O-CG1 3.43Å; F329-I333 PolarHBondContact O-N 3.19Å; V330-I333 PolarHBondContact O-N 3.19Å; I333-I335 PolarHBondContact O-N 3.34Å; I333-L336 PolarHBondContact O-N 3.07Å; I333-I337 HydrophobicContact CG2-CD1 3.85Å; I333-I337 HydrophobicContact CG2-CG1 4.41Å; I333-I337 WeakPolarHBondContact O-CG1 3.5Å; I333-I337 PolarHBondContact O-N 3.37Å
334	A	84.8	Confident	82.1	Confident	46 Å²	46	81.4 Å²	81.4	38%	0.38	42%	0.415	S	S	.	.	H	α-helix	trans	-62.2	-41.6	175.9	0	0	0	0	0	112.4	V330 G331 F332 L336 I337 V338	V330-A334 WeakPolarHBondContact O-CB 3.37Å; V330-A334 PolarHBondContact O-N 3.12Å; G331-A334 WeakPolarHBondContact O-CB 3.26Å; G331-A334 PolarHBondContact O-N 3.35Å; F332-A334 VanDerWaalsContact C-N 3.29Å; F332-A334 PolarHBondContact O-N 3.31Å; A334-L336 VanDerWaalsContact C-N 3.33Å; A334-L336 PolarHBondContact O-N 2.77Å; A334-I337 PolarHBondContact O-N 2.95Å; A334-V338 WeakPolarHBondContact O-CG2 3.38Å; A334-V338 PolarHBondContact O-N 2.75Å
335	I	85.6	Confident	82.4	Confident	59 Å²	59	83.7 Å²	83.7	30%	0.303	42%	0.423	S	S	.	.	H	α-helix	trans	-60.2	-43.6	174.7	-68.4	165.1	0	0	0	110.8	Y299 G331 F332 I333 V338 A339	Y299-I335 HydrophobicContact CD1-CD1 3.95Å; Y299-I335 HydrophobicContact CD2-CD1 3.75Å; Y299-I335 HydrophobicContact CE1-CD1 4.27Å; Y299-I335 HydrophobicContact CE2-CD1 4.07Å; Y299-I335 HydrophobicContact CG-CD1 3.68Å; G331-I335 WeakPolarHBondContact O-CG1 3.44Å; G331-I335 PolarHBondContact O-N 2.83Å; F332-I335 PolarHBondContact O-N 2.95Å; I333-I335 PolarHBondContact O-N 3.34Å; I335-V338 PolarHBondContact O-N 3.15Å; I335-A339 WeakPolarHBondContact O-CB 3.2Å; I335-A339 PolarHBondContact O-N 3.27Å
336	L	85.8	Confident	82.5	Confident	85 Å²	85	79.2 Å²	79.2	45%	0.445	40%	0.404	S	S	.	.	H	α-helix	trans	-63.9	-40.7	176.8	-67.9	180	0	0	0	112.2	F332 I333 A334 A339 F340	F332-L336 HydrophobicContact CD1-CD1 4.2Å; F332-L336 HydrophobicContact CE1-CD1 3.65Å; F332-L336 HydrophobicContact CE1-CG 4.29Å; F332-L336 HydrophobicContact CZ-CD1 3.99Å; F332-L336 HydrophobicContact CZ-CD2 4.4Å; F332-L336 HydrophobicContact CZ-CG 4.27Å; F332-L336 PolarHBondContact O-N 3.38Å; F332-L336 VanDerWaalsContact O-N 3.1Å; I333-L336 PolarHBondContact O-N 3.07Å; A334-L336 VanDerWaalsContact C-N 3.33Å; A334-L336 PolarHBondContact O-N 2.77Å; L336-A339 PolarHBondContact O-N 2.99Å; L336-F340 VanDerWaalsContact O-CB 3.29Å; L336-F340 WeakPolarHBondContact O-CB 3.45Å; L336-F340 PolarHBondContact O-N 3.47Å
337	I	88.8	Confident	82.4	Confident	92 Å²	92	78.3 Å²	78.3	47%	0.472	40%	0.401	S	S	.	.	H	α-helix	trans	-63.2	-45.4	175.4	-70	168.2	0	0	0	110.4	I333 A334 F340 I341	I333-I337 HydrophobicContact CG2-CD1 3.85Å; I333-I337 HydrophobicContact CG2-CG1 4.41Å; I333-I337 WeakPolarHBondContact O-CG1 3.5Å; I333-I337 PolarHBondContact O-N 3.37Å; A334-I337 PolarHBondContact O-N 2.95Å; I337-F340 PolarHBondContact O-N 3.11Å; I337-I341 HydrophobicContact CG2-CD1 3.71Å; I337-I341 HydrophobicContact CG2-CG1 4.34Å; I337-I341 VanDerWaalsContact O-CG1 3.28Å; I337-I341 WeakPolarHBondContact O-CG1 3.27Å; I337-I341 PolarHBondContact O-N 3.29Å
338	V	86.8	Confident	82.2	Confident	83 Å²	83	82.7 Å²	82.7	50%	0.503	42%	0.417	S	S	.	.	H	α-helix	trans	-61.9	-47.1	177.6	170.6	0	0	0	0	110.9	A334 I335 F340 I341 I342	A334-V338 WeakPolarHBondContact O-CG2 3.38Å; A334-V338 PolarHBondContact O-N 2.75Å; I335-V338 PolarHBondContact O-N 3.15Å; V338-F340 VanDerWaalsContact C-N 3.29Å; V338-F340 PolarHBondContact O-N 2.87Å; V338-I341 PolarHBondContact O-N 3.26Å; V338-I342 HydrophobicContact CG1-CD1 3.79Å; V338-I342 HydrophobicContact CG1-CG1 4.38Å; V338-I342 VanDerWaalsContact O-CG1 3.3Å; V338-I342 WeakPolarHBondContact O-CG1 3.47Å; V338-I342 PolarHBondContact O-N 3.09Å
339	A	85.1	Confident	81.6	Confident	23 Å²	23	84.4 Å²	84.4	19%	0.19	43%	0.429	C	S	.	.	H	α-helix	trans	-59.5	-41	176.1	0	0	0	0	0	111.7	M292 I335 L336 I342 L343	M292-A339 HydrophobicContact SD-CB 3.91Å; I335-A339 WeakPolarHBondContact O-CB 3.2Å; I335-A339 PolarHBondContact O-N 3.27Å; L336-A339 PolarHBondContact O-N 2.99Å; A339-I342 PolarHBondContact O-N 3.24Å; A339-L343 VanDerWaalsContact O-CG 3.31Å; A339-L343 WeakPolarHBondContact O-CG 3.27Å; A339-L343 PolarHBondContact O-N 3.39Å
340	F	86.4	Confident	81	Confident	127 Å²	127	82.5 Å²	82.5	56%	0.557	42%	0.421	S	S	*	.	H	α-helix	trans	-65.8	-41.5	175.9	-175.4	-106.1	0	0	0	112.5	L336 I337 V338 L343 L344	L336-F340 VanDerWaalsContact O-CB 3.29Å; L336-F340 WeakPolarHBondContact O-CB 3.45Å; L336-F340 PolarHBondContact O-N 3.47Å; I337-F340 PolarHBondContact O-N 3.11Å; V338-F340 VanDerWaalsContact C-N 3.29Å; V338-F340 PolarHBondContact O-N 2.87Å; F340-L343 PolarHBondContact O-N 3.23Å; F340-L344 HydrophobicContact CD1-CD1 3.89Å; F340-L344 HydrophobicContact CD1-CG 4.33Å; F340-L344 HydrophobicContact CE1-CD1 3.43Å; F340-L344 VanDerWaalsContact CE1-CD1 3.43Å; F340-L344 HydrophobicContact CE1-CG 4.01Å; F340-L344 HydrophobicContact CZ-CD1 3.98Å; F340-L344 HydrophobicContact CZ-CD2 4.32Å; F340-L344 HydrophobicContact CZ-CG 4.17Å; F340-L344 WeakPolarHBondContact O-CG 3.49Å; F340-L344 PolarHBondContact O-N 2.86Å
341	I	87.6	Confident	79.8	Confident	96 Å²	96	84.2 Å²	84.2	49%	0.492	43%	0.427	S	S	.	.	H	α-helix	trans	-63.3	-43.6	174.6	-70.3	167.9	0	0	0	110.5	I337 V338 L343 L344 L345	I337-I341 HydrophobicContact CG2-CD1 3.71Å; I337-I341 HydrophobicContact CG2-CG1 4.34Å; I337-I341 VanDerWaalsContact O-CG1 3.28Å; I337-I341 WeakPolarHBondContact O-CG1 3.27Å; I337-I341 PolarHBondContact O-N 3.29Å; V338-I341 PolarHBondContact O-N 3.26Å; I341-L343 VanDerWaalsContact C-N 3.33Å; I341-L343 PolarHBondContact O-N 3.25Å; I341-L344 PolarHBondContact O-N 2.65Å; I341-L345 WeakPolarHBondContact O-CB 3.43Å; I341-L345 PolarHBondContact O-N 3.3Å
342	I	82.7	Confident	79	Confident	69 Å²	69	92.4 Å²	92.4	35%	0.354	46%	0.457	S	S	.	.	H	α-helix	trans	-60.2	-44.7	176.1	-69.2	168.6	0	0	0	110.1	V338 A339 L344 L345 I346	V338-I342 HydrophobicContact CG1-CD1 3.79Å; V338-I342 HydrophobicContact CG1-CG1 4.38Å; V338-I342 VanDerWaalsContact O-CG1 3.3Å; V338-I342 WeakPolarHBondContact O-CG1 3.47Å; V338-I342 PolarHBondContact O-N 3.09Å; A339-I342 PolarHBondContact O-N 3.24Å; I342-L344 PolarHBondContact O-N 3.28Å; I342-L345 PolarHBondContact O-N 3.1Å; I342-I346 HydrophobicContact CG2-CD1 3.68Å; I342-I346 HydrophobicContact CG2-CG1 4.44Å; I342-I346 WeakPolarHBondContact O-CB 3.27Å; I342-I346 WeakPolarHBondContact O-CD1 3.3Å; I342-I346 VanDerWaalsContact O-CG1 3.25Å; I342-I346 WeakPolarHBondContact O-CG1 3.28Å; I342-I346 PolarHBondContact O-N 2.69Å
343	L	80.4	Confident	78.7	Confident	87 Å²	87	93 Å²	93	46%	0.455	46%	0.458	S	S	.	.	H	α-helix	trans	-62.1	-39.6	175.3	-73.3	171.4	0	0	0	112.8	A339 F340 I341 R347	A339-L343 VanDerWaalsContact O-CG 3.31Å; A339-L343 WeakPolarHBondContact O-CG 3.27Å; A339-L343 PolarHBondContact O-N 3.39Å; F340-L343 PolarHBondContact O-N 3.23Å; I341-L343 VanDerWaalsContact C-N 3.33Å; I341-L343 PolarHBondContact O-N 3.25Å; L343-R347 WeakPolarHBondContact O-CB 3.15Å; L343-R347 PolarHBondContact O-N 3.23Å
344	L	80.8	Confident	78.5	Confident	86 Å²	86	93.5 Å²	93.5	45%	0.45	46%	0.46	S	S	.	.	H	α-helix	trans	-67.4	-41.4	174.5	-75.2	-178.9	0	0	0	111.9	F340 I341 I342 R347 F348	F340-L344 HydrophobicContact CD1-CD1 3.89Å; F340-L344 HydrophobicContact CD1-CG 4.33Å; F340-L344 HydrophobicContact CE1-CD1 3.43Å; F340-L344 VanDerWaalsContact CE1-CD1 3.43Å; F340-L344 HydrophobicContact CE1-CG 4.01Å; F340-L344 HydrophobicContact CZ-CD1 3.98Å; F340-L344 HydrophobicContact CZ-CD2 4.32Å; F340-L344 HydrophobicContact CZ-CG 4.17Å; F340-L344 WeakPolarHBondContact O-CG 3.49Å; F340-L344 PolarHBondContact O-N 2.86Å; I341-L344 PolarHBondContact O-N 2.65Å; I342-L344 PolarHBondContact O-N 3.28Å; L344-R347 CarbonylContact O-C 3.5Å; L344-R347 WeakPolarHBondContact O-CB 3.18Å; L344-R347 PolarHBondContact O-N 3.04Å; L344-F348 WeakPolarHBondContact O-CB 3.36Å; L344-F348 PolarHBondContact O-N 3.08Å
345	L	77.1	Confident	78.6	Confident	97 Å²	97	96.1 Å²	96.1	51%	0.508	47%	0.465	S	S	.	.	H	α-helix	trans	-63.7	-46.8	177.5	-170	108.8	0	0	0	110.4	I341 I342 R347 F348 L349	I341-L345 WeakPolarHBondContact O-CB 3.43Å; I341-L345 PolarHBondContact O-N 3.3Å; I342-L345 PolarHBondContact O-N 3.1Å; L345-R347 VanDerWaalsContact C-N 3.27Å; L345-R347 PolarHBondContact O-N 2.99Å; L345-F348 PolarHBondContact O-N 2.86Å; L345-F348 VanDerWaalsContact O-N 3.14Å; L345-L349 HydrophobicContact CD2-CD1 3.63Å; L345-L349 HydrophobicContact CG-CD1 3.88Å; L345-L349 HydrophobicContact CG-CG 4.35Å; L345-L349 WeakPolarHBondContact O-CB 3.18Å; L345-L349 VanDerWaalsContact O-CG 3.25Å; L345-L349 WeakPolarHBondContact O-CG 3.39Å; L345-L349 PolarHBondContact O-N 3.22Å
346	I	74.2	Confident	78.9	Confident	22 Å²	22	93.5 Å²	93.5	11%	0.113	45%	0.451	C	S	.	.	H	α-helix	trans	-55.5	-45.2	172	-73.2	159	0	0	0	110.3	Y280 I342 F348 L349 K350	Y280-I346 HydrophobicContact CD1-CB 4.33Å; Y280-I346 HydrophobicContact CD1-CD1 4.25Å; Y280-I346 HydrophobicContact CD1-CG1 4.22Å; Y280-I346 HydrophobicContact CD1-CG2 3.18Å; Y280-I346 HydrophobicContact CE1-CB 4.34Å; Y280-I346 HydrophobicContact CE1-CD1 3.5Å; Y280-I346 HydrophobicContact CE1-CG1 3.98Å; Y280-I346 HydrophobicContact CE1-CG2 3.48Å; Y280-I346 VanDerWaalsContact CE1-CG2 3.48Å; Y280-I346 HydrophobicContact CE2-CD1 4.08Å; Y280-I346 HydrophobicContact CE2-CG1 4.39Å; Y280-I346 HydrophobicContact CG-CG1 4.44Å; Y280-I346 HydrophobicContact CG-CG2 3.83Å; Y280-I346 VanDerWaalsContact CZ-CD1 3.46Å; I342-I346 HydrophobicContact CG2-CD1 3.68Å; I342-I346 HydrophobicContact CG2-CG1 4.44Å; I342-I346 WeakPolarHBondContact O-CB 3.27Å; I342-I346 WeakPolarHBondContact O-CD1 3.3Å; I342-I346 VanDerWaalsContact O-CG1 3.25Å; I342-I346 WeakPolarHBondContact O-CG1 3.28Å; I342-I346 PolarHBondContact O-N 2.69Å; I346-F348 VanDerWaalsContact C-N 3.33Å; I346-F348 PolarHBondContact O-N 3.48Å; I346-L349 PolarHBondContact O-N 3.34Å; I346-K350 WeakPolarHBondContact O-CG 3.43Å; I346-K350 PolarHBondContact O-N 3.06Å
347	R	73.9	Confident	79.3	Confident	191 Å²	191	90.5 Å²	90.5	72%	0.721	44%	0.441	S	S	*	.	H	α-helix	trans	-65.7	-36.9	179	-173.8	-178.5	176.8	141.5	-0.7	112.3	L343 L344 L345	L343-R347 WeakPolarHBondContact O-CB 3.15Å; L343-R347 PolarHBondContact O-N 3.23Å; L344-R347 CarbonylContact O-C 3.5Å; L344-R347 WeakPolarHBondContact O-CB 3.18Å; L344-R347 PolarHBondContact O-N 3.04Å; L345-R347 VanDerWaalsContact C-N 3.27Å; L345-R347 PolarHBondContact O-N 2.99Å
348	F	71	Confident	79.6	Confident	177 Å²	177	91.2 Å²	91.2	78%	0.776	44%	0.442	S	S	*	.	H	α-helix	trans	-70.7	-40.5	177.4	179.1	-98.7	0	0	0	111.7	L344 L345 I346 K350	L344-F348 WeakPolarHBondContact O-CB 3.36Å; L344-F348 PolarHBondContact O-N 3.08Å; L345-F348 PolarHBondContact O-N 2.86Å; L345-F348 VanDerWaalsContact O-N 3.14Å; I346-F348 VanDerWaalsContact C-N 3.33Å; I346-F348 PolarHBondContact O-N 3.48Å; F348-K350 VanDerWaalsContact C-N 3.29Å; F348-K350 PolarHBondContact O-N 3.5Å
349	L	68.3	Low	79.9	Confident	89 Å²	89	90.4 Å²	90.4	47%	0.466	45%	0.445	S	S	.	.	H	α-helix	trans	-75.8	-14.6	178.4	-66.9	173.9	0	0	0	113.4	L345 I346 N351	L345-L349 HydrophobicContact CD2-CD1 3.63Å; L345-L349 HydrophobicContact CG-CD1 3.88Å; L345-L349 HydrophobicContact CG-CG 4.35Å; L345-L349 WeakPolarHBondContact O-CB 3.18Å; L345-L349 VanDerWaalsContact O-CG 3.25Å; L345-L349 WeakPolarHBondContact O-CG 3.39Å; L345-L349 PolarHBondContact O-N 3.22Å; I346-L349 PolarHBondContact O-N 3.34Å; L349-N351 PolarHBondContact O-N 3.01Å
350	K	66.9	Low	80.4	Confident	77 Å²	77	90.9 Å²	90.9	34%	0.335	44%	0.444	S	S	.	.			trans	-68.9	68.5	167.4	-80.9	-178.9	-179.9	-169.3	0	110.4	I346 F348	I346-K350 WeakPolarHBondContact O-CG 3.43Å; I346-K350 PolarHBondContact O-N 3.06Å; F348-K350 VanDerWaalsContact C-N 3.29Å; F348-K350 PolarHBondContact O-N 3.5Å
351	N	58.2	Low	80.8	Confident	131 Å²	131	87.8 Å²	87.8	70%	0.701	43%	0.433	S	S	*	.			trans	-85.2	179.9	170.1	-159.3	6.9	0	0	0	110.8	L349 R353	L349-N351 PolarHBondContact O-N 3.01Å; N351-R353 PolarHBondContact O-N 3.28Å
352	K	65.4	Low	81.2	Confident	192 Å²	192	86.4 Å²	86.4	84%	0.835	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-51	123.7	175.5	-75.5	-176.4	176	-177.5	0	110.4
353	R	76.1	Confident	81.8	Confident	56 Å²	56	87 Å²	87	21%	0.211	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-80.9	127.2	177.4	-64.8	173.8	178	168.5	-4.3	109.4	Q277 N351 Q355 R700 D701	Q277-R353 VanDerWaalsContact OE1-CA 3.3Å; N351-R353 PolarHBondContact O-N 3.28Å; R353-Q355 PolarHBondContact O-N 2.7Å; R353-R700 PolarHBondContact NH1-O 3.49Å; R353-D701 WeakPolarHBondContact CD-OXT 3.32Å; R353-D701 PolarHBondContact NH1-OXT 2.71Å
354	I	83.5	Confident	82.6	Confident	78 Å²	78	85.7 Å²	85.7	40%	0.4	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-64.2	123.9	159.9	-61.7	171	0	0	0	106.2	Y437 Y439	I354-Y437 HydrophobicContact CB-CD1 4.07Å; I354-Y437 HydrophobicContact CB-CE1 4.16Å; I354-Y437 HydrophobicContact CD1-CD1 3.86Å; I354-Y437 HydrophobicContact CD1-CE1 3.35Å; I354-Y437 HydrophobicContact CG1-CE1 4.34Å; I354-Y437 HydrophobicContact CG2-CD1 4.16Å; I354-Y437 HydrophobicContact CG2-CE1 3.96Å; I354-Y437 HydrophobicContact CG2-CE2 4.32Å; I354-Y437 HydrophobicContact CG2-CG 4.43Å; I354-Y439 WeakPolarHBondContact O-CE2 3.45Å; I354-Y439 PolarHBondContact O-OH 2.92Å
355	Q	86.7	Confident	83.3	Confident	102 Å²	102	81.6 Å²	81.6	48%	0.477	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-91.8	138.6	174.9	-70.8	-170.1	-13	0	0	108.6	R353	R353-Q355 PolarHBondContact O-N 2.7Å
356	I	91.8	Very high	84.2	Confident	4 Å²	4	80.8 Å²	80.8	2%	0.021	40%	0.396	C	S	.	.	S	Bend	trans	-80.1	139.8	175.9	-51.6	-58.3	0	0	0	109.5	L403 I410 L430 E433 V434 Y437 Y439	I356-L403 HydrophobicContact CG2-CD1 3.91Å; I356-I410 HydrophobicContact CB-CD1 3.89Å; I356-I410 HydrophobicContact CB-CG1 4.36Å; I356-I410 HydrophobicContact CG1-CD1 3.93Å; I356-I410 HydrophobicContact CG1-CG1 4.16Å; I356-L430 HydrophobicContact CG2-CD1 4.49Å; I356-E433 HydrophobicContact CD1-CG 4.4Å; I356-E433 HydrophobicContact CG2-CG 4.5Å; I356-V434 HydrophobicContact CG1-CG1 4.22Å; I356-V434 HydrophobicContact CG2-CG1 4.04Å; I356-Y437 HydrophobicContact CD1-CD2 3.39Å; I356-Y437 HydrophobicContact CD1-CE2 4.17Å; I356-Y437 HydrophobicContact CD1-CG 4.04Å; I356-Y439 HydrophobicContact CD1-CD2 4.1Å; I356-Y439 HydrophobicContact CD1-CE2 4.23Å; I356-Y439 HydrophobicContact CG1-CD2 3.69Å; I356-Y439 HydrophobicContact CG1-CE2 3.91Å; I356-Y439 HydrophobicContact CG1-CG 4.43Å
357	G	93.3	Very high	85.3	Confident	22 Å²	22	83.5 Å²	83.5	23%	0.227	41%	0.408	C	S	.	.	S	Bend	trans	84.9	157	179.4	0	0	0	0	0	113.5	V388	G357-V388 CarbonylContact C-O 3.53Å; G357-V388 VanDerWaalsContact CA-O 3.23Å; G357-V388 WeakPolarHBondContact CA-O 3.25Å
358	E	94.9	Very high	86.5	Confident	106 Å²	106	74.4 Å²	74.4	50%	0.495	37%	0.374	S	S	.	.	B	Isolated β-bridge	trans	-101.5	168.1	-177.3	-63.7	173.3	-126.4	0	0	110.2	R364 K387 V388	E358-R364 IonicContact OE2-NH1 3.89Å; E358-R364 PolarHBondContact OE2-NH1 3.13Å; E358-K387 CarbonylContact O-C 3.51Å; E358-K387 WeakPolarHBondContact O-CA 3.22Å; E358-K387 WeakPolarHBondContact O-CD 3.35Å; E358-V388 PolarHBondContact N-O 2.92Å; E358-V388 PolarHBondContact O-N 2.87Å
359	A	94	Very high	87.7	Confident	67 Å²	67	66.1 Å²	66.1	55%	0.554	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-67.3	153.6	166.1	0	0	0	0	0	109.5	D361	A359-D361 PolarHBondContact O-N 3.38Å; A359-D361 VanDerWaalsContact O-N 3.17Å
360	L	94.1	Very high	89	Confident	32 Å²	32	65.8 Å²	65.8	17%	0.168	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-54	121.4	176.1	171.9	65	0	0	0	111	E362 I365 V381 F382 K384 V388	L360-E362 HydrophobicContact CD2-CG 3.85Å; L360-E362 HydrophobicContact CG-CG 4.07Å; L360-I365 HydrophobicContact CD1-CB 4.07Å; L360-I365 HydrophobicContact CD1-CD1 4.5Å; L360-I365 HydrophobicContact CD1-CG1 3.37Å; L360-V381 HydrophobicContact CD1-CG1 4.46Å; L360-V381 HydrophobicContact CD1-CG2 4.01Å; L360-F382 HydrophobicContact CD2-CD1 4.11Å; L360-K384 HydrophobicContact CD2-CG 3.76Å; L360-V388 HydrophobicContact CD1-CG2 4.4Å
361	D	96.5	Very high	90.4	Very high	62 Å²	62	65.5 Å²	65.5	33%	0.332	35%	0.347	S	S	.	.			trans	-99.4	109.5	157.8	-173.4	-31.5	0	0	0	108.5	A359 S363 R364 I365 Y390	A359-D361 PolarHBondContact O-N 3.38Å; A359-D361 VanDerWaalsContact O-N 3.17Å; D361-S363 VanDerWaalsContact C-N 3.27Å; D361-S363 PolarHBondContact O-N 3.23Å; D361-S363 WeakPolarHBondContact OD1-CB 3.25Å; D361-S363 PolarHBondContact OD1-N 2.99Å; D361-S363 PolarHBondContact OD1-OG 3.23Å; D361-R364 HydrophobicContact CB-CB 4.16Å; D361-R364 HydrophobicContact CB-CG 4.11Å; D361-R364 PolarHBondContact O-N 3.08Å; D361-R364 PolarHBondContact OD1-N 2.95Å; D361-R364 WeakPolarHBondContact OD2-CD 3.1Å; D361-I365 WeakPolarHBondContact O-CG1 3.12Å; D361-I365 PolarHBondContact O-N 3.22Å; D361-I365 VanDerWaalsContact O-N 3.13Å; D361-Y390 PolarHBondContact N-OH 2.94Å; D361-Y390 VanDerWaalsContact N-OH 3.13Å; D361-Y390 PolarHBondContact O-OH 2.86Å
362	E	94.9	Very high	92.2	Very high	67 Å²	67	62.4 Å²	62.4	31%	0.313	33%	0.326	S	S	.	.	H	α-helix	trans	-63.6	-33.3	-176.6	-65.6	-170.3	-155	0	0	112.7	L360 Q366 F382 K384 R542	L360-E362 HydrophobicContact CD2-CG 3.85Å; L360-E362 HydrophobicContact CG-CG 4.07Å; E362-Q366 WeakPolarHBondContact O-CB 3.43Å; E362-Q366 PolarHBondContact O-N 2.88Å; E362-F382 HydrophobicContact CB-CE1 4.45Å; E362-F382 HydrophobicContact CG-CD1 4.36Å; E362-F382 HydrophobicContact CG-CE1 4.38Å; E362-K384 WeakPolarHBondContact OE1-CE 3.12Å; E362-K384 IonicContact OE1-NZ 3.4Å; E362-K384 PolarHBondContact OE1-NZ 3.31Å; E362-R542 IonicContact OE1-NH2 3.77Å; E362-R542 PolarHBondContact OE1-NH2 3.47Å; E362-R542 VanDerWaalsContact OE1-NH2 3.12Å; E362-R542 IonicContact OE2-CZ 3.25Å; E362-R542 VanDerWaalsContact OE2-CZ 3.29Å; E362-R542 IonicContact OE2-NH1 3.74Å; E362-R542 PolarHBondContact OE2-NH1 2.96Å; E362-R542 IonicContact OE2-NH2 3.94Å; E362-R542 PolarHBondContact OE2-NH2 3.38Å
363	S	95.3	Very high	93.7	Very high	82 Å²	82	54 Å²	54	57%	0.573	29%	0.294	S	S	*	.	H	α-helix	trans	-68.8	-44	-178.2	69.7	0	0	0	0	111.3	D361 Q366 H367	D361-S363 VanDerWaalsContact C-N 3.27Å; D361-S363 PolarHBondContact O-N 3.23Å; D361-S363 WeakPolarHBondContact OD1-CB 3.25Å; D361-S363 PolarHBondContact OD1-N 2.99Å; D361-S363 PolarHBondContact OD1-OG 3.23Å; S363-Q366 PolarHBondContact O-N 3.23Å; S363-H367 WeakPolarHBondContact O-CB 3.45Å; S363-H367 PolarHBondContact O-N 3.25Å
364	R	96.8	Very high	94.6	Very high	60 Å²	60	52.1 Å²	52.1	23%	0.226	29%	0.292	C	S	.	.	H	α-helix	trans	-64.3	-46.2	176.6	-67.1	172	65.6	-168.5	6.2	111.4	E358 D361 H367 I368 Y390 D397	E358-R364 IonicContact OE2-NH1 3.89Å; E358-R364 PolarHBondContact OE2-NH1 3.13Å; D361-R364 HydrophobicContact CB-CB 4.16Å; D361-R364 HydrophobicContact CB-CG 4.11Å; D361-R364 PolarHBondContact O-N 3.08Å; D361-R364 PolarHBondContact OD1-N 2.95Å; D361-R364 WeakPolarHBondContact OD2-CD 3.1Å; R364-H367 WeakPolarHBondContact O-CB 3.48Å; R364-H367 PolarHBondContact O-N 3.44Å; R364-I368 WeakPolarHBondContact O-CG1 3.32Å; R364-I368 PolarHBondContact O-N 3.36Å; R364-Y390 HydrophobicContact CB-CE1 3.89Å; R364-Y390 VanDerWaalsContact NH2-CG 3.3Å; R364-D397 IonicContact CZ-OD2 2.71Å; R364-D397 IonicContact NE-OD2 3.47Å; R364-D397 PolarHBondContact NE-OD2 2.77Å; R364-D397 IonicContact NH2-OD1 3.1Å; R364-D397 IonicContact NH2-OD2 2.72Å; R364-D397 PolarHBondContact NH2-OD2 3.11Å
365	I	97.1	Very high	95.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.5	-47.8	177.6	-73.7	-60.8	0	0	0	111.5	L360 D361 H367 I368 L369 V381 F382 V388 Y390 F400	L360-I365 HydrophobicContact CD1-CB 4.07Å; L360-I365 HydrophobicContact CD1-CD1 4.5Å; L360-I365 HydrophobicContact CD1-CG1 3.37Å; D361-I365 WeakPolarHBondContact O-CG1 3.12Å; D361-I365 PolarHBondContact O-N 3.22Å; D361-I365 VanDerWaalsContact O-N 3.13Å; I365-H367 VanDerWaalsContact C-N 3.26Å; I365-H367 PolarHBondContact O-N 3.27Å; I365-I368 PolarHBondContact O-N 3.47Å; I365-L369 HydrophobicContact CG2-CD1 3.51Å; I365-L369 HydrophobicContact CG2-CG 4.22Å; I365-L369 WeakPolarHBondContact O-CB 3.06Å; I365-L369 WeakPolarHBondContact O-CG 3.48Å; I365-L369 PolarHBondContact O-N 3.05Å; I365-V381 HydrophobicContact CD1-CG2 4.46Å; I365-V381 HydrophobicContact CG2-CG1 3.71Å; I365-F382 HydrophobicContact CG2-CE1 3.98Å; I365-F382 HydrophobicContact CG2-CE2 4.2Å; I365-F382 HydrophobicContact CG2-CZ 3.57Å; I365-V388 HydrophobicContact CD1-CG1 3.98Å; I365-Y390 HydrophobicContact CD1-CD1 4.5Å; I365-Y390 HydrophobicContact CD1-CE1 3.59Å; I365-Y390 HydrophobicContact CG1-CE1 3.97Å; I365-F400 HydrophobicContact CD1-CB 3.93Å; I365-F400 HydrophobicContact CD1-CD1 3.37Å; I365-F400 HydrophobicContact CD1-CD2 3.5Å; I365-F400 VanDerWaalsContact CD1-CD2 3.5Å; I365-F400 HydrophobicContact CD1-CE1 3.61Å; I365-F400 HydrophobicContact CD1-CE2 3.75Å; I365-F400 HydrophobicContact CD1-CG 3.3Å; I365-F400 HydrophobicContact CD1-CZ 3.79Å; I365-F400 HydrophobicContact CG2-CE1 4.36Å; I365-F400 HydrophobicContact CG2-CZ 4.35Å
366	Q	96	Very high	95.5	Very high	80 Å²	80	45.4 Å²	45.4	37%	0.374	26%	0.262	S	S	.	.	H	α-helix	trans	-63.6	-36.1	-179.1	-171.4	63.3	32.2	0	0	111.2	E362 S363 S370 Y565	E362-Q366 WeakPolarHBondContact O-CB 3.43Å; E362-Q366 PolarHBondContact O-N 2.88Å; S363-Q366 PolarHBondContact O-N 3.23Å; Q366-S370 VanDerWaalsContact O-CB 3.28Å; Q366-S370 WeakPolarHBondContact O-CB 3.35Å; Q366-S370 PolarHBondContact O-N 3.32Å; Q366-S370 PolarHBondContact O-OG 2.86Å; Q366-Y565 PolarHBondContact OE1-OH 2.76Å
367	H	96.9	Very high	95.6	Very high	79 Å²	79	45.6 Å²	45.6	37%	0.366	26%	0.263	S	S	.	.	H	α-helix	trans	-60.3	-51.2	173.1	-179.3	64.7	0	0	0	111.8	S363 R364 I365 L369 S370 T371 E396	S363-H367 WeakPolarHBondContact O-CB 3.45Å; S363-H367 PolarHBondContact O-N 3.25Å; R364-H367 WeakPolarHBondContact O-CB 3.48Å; R364-H367 PolarHBondContact O-N 3.44Å; I365-H367 VanDerWaalsContact C-N 3.26Å; I365-H367 PolarHBondContact O-N 3.27Å; H367-L369 PolarHBondContact O-N 3.46Å; H367-S370 PolarHBondContact O-N 3.47Å; H367-S370 PolarHBondContact O-OG 2.72Å; H367-T371 PolarHBondContact CE1-OG1 3.02Å; H367-T371 WeakPolarHBondContact O-CB 3.48Å; H367-T371 PolarHBondContact O-N 3.1Å; H367-T371 PolarHBondContact O-OG1 2.77Å; H367-E396 IonicContact CD2-OE2 3.38Å; H367-E396 IonicContact CE1-OE2 3.8Å; H367-E396 IonicContact NE2-OE2 3.74Å; H367-E396 PolarHBondContact NE2-OE2 3.43Å
368	I	98.1	Very high	95.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.2	-49.9	178.8	-65	164.1	0	0	0	110.8	R364 I365 S370 T371 Y372 Y390 D397 T398 F400	R364-I368 WeakPolarHBondContact O-CG1 3.32Å; R364-I368 PolarHBondContact O-N 3.36Å; I365-I368 PolarHBondContact O-N 3.47Å; I368-S370 PolarHBondContact O-N 3.4Å; I368-T371 PolarHBondContact O-N 3.1Å; I368-Y372 HydrophobicContact CG2-CD2 4.5Å; I368-Y372 WeakPolarHBondContact O-CB 3.34Å; I368-Y372 PolarHBondContact O-N 3.39Å; I368-Y390 HydrophobicContact CD1-CD1 3.92Å; I368-Y390 HydrophobicContact CD1-CE1 4.32Å; I368-D397 HydrophobicContact CD1-CB 3.94Å; I368-D397 HydrophobicContact CG1-CB 4.28Å; I368-D397 WeakPolarHBondContact CG1-O 3.46Å; I368-T398 WeakPolarHBondContact CG2-O 3.46Å; I368-F400 HydrophobicContact CB-CD1 4.34Å; I368-F400 HydrophobicContact CD1-CB 4.3Å; I368-F400 HydrophobicContact CD1-CD1 4.05Å; I368-F400 HydrophobicContact CG2-CD1 3.97Å; I368-F400 HydrophobicContact CG2-CE1 4.34Å
369	L	97.4	Very high	95.8	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.016	23%	0.229	C	C	.	.	H	α-helix	trans	-66.6	-39	-175.4	-69	172.9	0	0	0	113	I365 H367 G373 F382 F400 Y565	I365-L369 HydrophobicContact CG2-CD1 3.51Å; I365-L369 HydrophobicContact CG2-CG 4.22Å; I365-L369 WeakPolarHBondContact O-CB 3.06Å; I365-L369 WeakPolarHBondContact O-CG 3.48Å; I365-L369 PolarHBondContact O-N 3.05Å; H367-L369 PolarHBondContact O-N 3.46Å; L369-G373 WeakPolarHBondContact O-CA 3.23Å; L369-G373 PolarHBondContact O-N 3.42Å; L369-G373 VanDerWaalsContact O-N 3.1Å; L369-F382 HydrophobicContact CD1-CE2 4.1Å; L369-F382 HydrophobicContact CD1-CZ 4.3Å; L369-F400 HydrophobicContact CD1-CE1 4.33Å; L369-F400 HydrophobicContact CD1-CZ 4.34Å; L369-F400 HydrophobicContact CD2-CE1 3.69Å; L369-F400 HydrophobicContact CD2-CZ 3.99Å; L369-F400 HydrophobicContact CG-CE1 3.86Å; L369-F400 HydrophobicContact CG-CZ 4.29Å; L369-Y565 HydrophobicContact CB-CD1 3.64Å; L369-Y565 HydrophobicContact CB-CD2 4.1Å; L369-Y565 HydrophobicContact CB-CE1 3.72Å; L369-Y565 HydrophobicContact CB-CE2 4.21Å; L369-Y565 HydrophobicContact CB-CG 3.81Å; L369-Y565 HydrophobicContact CD1-CD2 4.08Å; L369-Y565 HydrophobicContact CD1-CE1 4.29Å; L369-Y565 HydrophobicContact CD1-CE2 3.6Å; L369-Y565 HydrophobicContact CD2-CD2 4.04Å; L369-Y565 HydrophobicContact CD2-CE2 4.4Å; L369-Y565 HydrophobicContact CD2-CG 4.33Å; L369-Y565 HydrophobicContact CG-CD2 4.3Å; L369-Y565 HydrophobicContact CG-CE2 4.29Å; L369-Y565 HydrophobicContact CG-CG 4.48Å
370	S	95.1	Very high	95.9	Very high	81 Å²	81	36.7 Å²	36.7	57%	0.566	20%	0.204	S	C	*	.	H	α-helix	trans	-78.1	-27	179.1	58.1	0	0	0	0	113.6	Q366 H367 I368	Q366-S370 VanDerWaalsContact O-CB 3.28Å; Q366-S370 WeakPolarHBondContact O-CB 3.35Å; Q366-S370 PolarHBondContact O-N 3.32Å; Q366-S370 PolarHBondContact O-OG 2.86Å; H367-S370 PolarHBondContact O-N 3.47Å; H367-S370 PolarHBondContact O-OG 2.72Å; I368-S370 PolarHBondContact O-N 3.4Å
371	T	96.5	Very high	96	Very high	72 Å²	72	35.2 Å²	35.2	44%	0.442	20%	0.196	S	C	.	.	H	α-helix	trans	-87.6	-44.1	-178.9	-56	0	0	0	0	112.3	H367 I368	H367-T371 PolarHBondContact CE1-OG1 3.02Å; H367-T371 WeakPolarHBondContact O-CB 3.48Å; H367-T371 PolarHBondContact O-N 3.1Å; H367-T371 PolarHBondContact O-OG1 2.77Å; I368-T371 PolarHBondContact O-N 3.1Å
372	Y	96.4	Very high	96	Very high	66 Å²	66	32.3 Å²	32.3	26%	0.259	18%	0.18	S	C	.	.	H	α-helix	trans	-113.8	-12.8	-169.6	-61.2	-63.6	0	0	0	114.1	I368 E396 T398 K419	I368-Y372 HydrophobicContact CG2-CD2 4.5Å; I368-Y372 WeakPolarHBondContact O-CB 3.34Å; I368-Y372 PolarHBondContact O-N 3.39Å; Y372-E396 PolarHBondContact OH-OE1 3.18Å; Y372-T398 HydrophobicContact CE2-CG2 3.94Å; Y372-K419 HydrophobicContact CD1-CB 3.7Å; Y372-K419 HydrophobicContact CD1-CD 3.94Å; Y372-K419 HydrophobicContact CD1-CG 3.79Å; Y372-K419 HydrophobicContact CD2-CB 4.45Å; Y372-K419 HydrophobicContact CE1-CB 4.24Å; Y372-K419 HydrophobicContact CE1-CD 3.74Å; Y372-K419 HydrophobicContact CE1-CG 4.12Å; Y372-K419 HydrophobicContact CG-CB 3.8Å; Y372-K419 HydrophobicContact CG-CG 4.41Å
373	G	95.7	Very high	96	Very high	15 Å²	15	29.6 Å²	29.6	16%	0.155	17%	0.168	C	C	.	.			trans	91.5	-177.8	-176.8	0	0	0	0	0	113.3	L369 G418 Y565	L369-G373 WeakPolarHBondContact O-CA 3.23Å; L369-G373 PolarHBondContact O-N 3.42Å; L369-G373 VanDerWaalsContact O-N 3.1Å; G373-G418 WeakPolarHBondContact O-CA 3.37Å; G373-G418 PolarHBondContact O-N 3.43Å; G373-Y565 WeakPolarHBondContact CA-O 3.48Å
374	G	95.8	Very high	96	Very high	17 Å²	17	30.8 Å²	30.8	18%	0.175	16%	0.163	C	C	.	.			trans	-145.4	-156.3	-177	0	0	0	0	0	111.6	S378 T564 T566	G374-S378 WeakPolarHBondContact CA-OG 3.37Å; G374-T564 CarbonylContact C-O 3.57Å; G374-T564 WeakPolarHBondContact CA-O 3.33Å; G374-T566 WeakPolarHBondContact O-CG2 3.18Å
375	N	95.3	Very high	95.8	Very high	18 Å²	18	30.6 Å²	30.6	10%	0.096	17%	0.166	C	C	.	.			trans	-143.9	173.6	178.6	66.4	49.7	0	0	0	109.9	D377 S378 D415 P416 S417 T564	N375-D377 PolarHBondContact O-N 3.11Å; N375-D377 WeakPolarHBondContact OD1-CA 3.36Å; N375-D377 PolarHBondContact OD1-N 3.17Å; N375-S378 PolarHBondContact N-OG 3.23Å; N375-S378 WeakPolarHBondContact O-CB 3.5Å; N375-S378 PolarHBondContact O-N 2.93Å; N375-S378 VanDerWaalsContact O-N 3.1Å; N375-S378 PolarHBondContact O-OG 3.37Å; N375-S378 PolarHBondContact OD1-N 2.8Å; N375-S378 PolarHBondContact OD1-OG 2.95Å; N375-D415 PolarHBondContact ND2-O 3Å; N375-P416 PolarHBondContact ND2-O 2.96Å; N375-S417 PolarHBondContact ND2-OG 3.39Å; N375-T564 PolarHBondContact N-O 3.24Å
376	P	94.3	Very high	95.7	Very high	21 Å²	21	31 Å²	31	14%	0.136	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-12.2	-179	-30.8	39.5	0	0	0	116.2	R467 M562 T564 I569 T571	P376-R467 VanDerWaalsContact CB-NH2 3.35Å; P376-M562 WeakPolarHBondContact O-CE 3.35Å; P376-M562 VanDerWaalsContact O-SD 3.36Å; P376-T564 HydrophobicContact CG-CG2 4.48Å; P376-I569 HydrophobicContact CG-CD1 4.22Å; P376-I569 HydrophobicContact CG-CG2 4.22Å; P376-T571 HydrophobicContact CB-CG2 4.23Å
377	D	93.7	Very high	95.7	Very high	8 Å²	8	30.6 Å²	30.6	4%	0.043	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-9	-178.6	-51.5	-40.4	0	0	0	113	N375 Q379 L380 Q402 M413 R467	N375-D377 PolarHBondContact O-N 3.11Å; N375-D377 WeakPolarHBondContact OD1-CA 3.36Å; N375-D377 PolarHBondContact OD1-N 3.17Å; D377-Q379 VanDerWaalsContact C-N 3.33Å; D377-Q379 PolarHBondContact O-N 3.45Å; D377-L380 WeakPolarHBondContact O-CB 3.18Å; D377-L380 PolarHBondContact O-N 2.89Å; D377-Q402 PolarHBondContact O-NE2 2.95Å; D377-M413 HydrophobicContact CB-CE 3.8Å; D377-M413 HydrophobicContact CB-SD 4.38Å; D377-R467 IonicContact OD1-CZ 3.01Å; D377-R467 VanDerWaalsContact OD1-CZ 3.26Å; D377-R467 IonicContact OD1-NH1 3.91Å; D377-R467 PolarHBondContact OD1-NH1 2.67Å; D377-R467 IonicContact OD1-NH2 2.75Å; D377-R467 PolarHBondContact OD1-NH2 2.93Å; D377-R467 IonicContact OD2-CZ 2.81Å; D377-R467 IonicContact OD2-NH1 2.65Å; D377-R467 PolarHBondContact OD2-NH1 3.26Å
378	S	96.1	Very high	95.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-59	-39.5	-171.9	-62.4	0	0	0	0	113.7	G374 N375 L380 V381 S417	G374-S378 WeakPolarHBondContact CA-OG 3.37Å; N375-S378 PolarHBondContact N-OG 3.23Å; N375-S378 WeakPolarHBondContact O-CB 3.5Å; N375-S378 PolarHBondContact O-N 2.93Å; N375-S378 VanDerWaalsContact O-N 3.1Å; N375-S378 PolarHBondContact O-OG 3.37Å; N375-S378 PolarHBondContact OD1-N 2.8Å; N375-S378 PolarHBondContact OD1-OG 2.95Å; S378-L380 PolarHBondContact O-N 3.44Å; S378-V381 WeakPolarHBondContact O-CG1 3.03Å; S378-V381 PolarHBondContact O-N 2.77Å; S378-S417 WeakPolarHBondContact OG-CB 3.01Å; S378-S417 PolarHBondContact OG-OG 3.48Å
379	Q	96	Very high	95.7	Very high	3 Å²	3	28.2 Å²	28.2	1%	0.014	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-63.7	-26.4	-176	-171	75.8	1	0	0	112.5	D377 V381 F382 Y539 M562 Y565	D377-Q379 VanDerWaalsContact C-N 3.33Å; D377-Q379 PolarHBondContact O-N 3.45Å; Q379-V381 PolarHBondContact O-N 3.25Å; Q379-F382 HydrophobicContact CG-CD2 4.41Å; Q379-F382 WeakPolarHBondContact O-CD2 3.39Å; Q379-F382 PolarHBondContact O-N 3.17Å; Q379-F382 VanDerWaalsContact O-N 3.11Å; Q379-Y539 HydrophobicContact CG-CE2 3.81Å; Q379-Y539 WeakPolarHBondContact O-CE2 3.15Å; Q379-M562 HydrophobicContact CB-CE 3.76Å; Q379-M562 HydrophobicContact CB-CG 3.59Å; Q379-M562 HydrophobicContact CG-CG 4.13Å; Q379-Y565 VanDerWaalsContact OE1-CE2 3.29Å; Q379-Y565 PolarHBondContact OE1-OH 2.82Å; Q379-Y565 VanDerWaalsContact OE1-OH 3.06Å
380	L	96	Very high	95.8	Very high	4 Å²	4	29 Å²	29	2%	0.021	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-62.2	-16.1	-178.8	-73.5	164.6	0	0	0	113	D377 S378 F382 L383 K386 M413 S531 M562	D377-L380 WeakPolarHBondContact O-CB 3.18Å; D377-L380 PolarHBondContact O-N 2.89Å; S378-L380 PolarHBondContact O-N 3.44Å; L380-F382 PolarHBondContact O-N 2.94Å; L380-L383 HydrophobicContact CB-CD1 4.46Å; L380-L383 HydrophobicContact CD2-CD1 3.46Å; L380-L383 VanDerWaalsContact CD2-CD1 3.46Å; L380-L383 WeakPolarHBondContact O-CB 3.45Å; L380-L383 PolarHBondContact O-N 3.04Å; L380-K386 PolarHBondContact O-NZ 3.3Å; L380-M413 HydrophobicContact CD1-CE 3.57Å; L380-M413 HydrophobicContact CD1-SD 4.14Å; L380-S531 WeakPolarHBondContact CD1-O 3.41Å; L380-M562 HydrophobicContact CB-CE 4.28Å; L380-M562 HydrophobicContact CD1-CE 3.92Å; L380-M562 HydrophobicContact CD2-CE 4.37Å; L380-M562 HydrophobicContact CG-CE 3.49Å; L380-M562 VanDerWaalsContact CG-CE 3.49Å; L380-M562 HydrophobicContact CG-SD 4.45Å
381	V	96.7	Very high	95.9	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-61.1	-30.9	176.5	77.4	0	0	0	0	111.4	L360 I365 S378 Q379 L383 K384 V388 F400 Q402	L360-V381 HydrophobicContact CD1-CG1 4.46Å; L360-V381 HydrophobicContact CD1-CG2 4.01Å; I365-V381 HydrophobicContact CD1-CG2 4.46Å; I365-V381 HydrophobicContact CG2-CG1 3.71Å; S378-V381 WeakPolarHBondContact O-CG1 3.03Å; S378-V381 PolarHBondContact O-N 2.77Å; Q379-V381 PolarHBondContact O-N 3.25Å; V381-L383 PolarHBondContact O-N 3.12Å; V381-K384 PolarHBondContact O-N 3Å; V381-V388 HydrophobicContact CG2-CG2 3.64Å; V381-F400 HydrophobicContact CB-CE2 4.2Å; V381-F400 HydrophobicContact CG1-CE2 4.35Å; V381-F400 HydrophobicContact CG1-CZ 4.39Å; V381-F400 HydrophobicContact CG2-CE2 4.11Å; V381-Q402 HydrophobicContact CB-CG 4.22Å; V381-Q402 HydrophobicContact CG2-CG 4.15Å
382	F	96.6	Very high	95.9	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.009	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-73.5	-4.8	-179.6	-64.7	-68.6	0	0	0	114.5	L360 E362 I365 L369 Q379 L380 K384 Y539	L360-F382 HydrophobicContact CD2-CD1 4.11Å; E362-F382 HydrophobicContact CB-CE1 4.45Å; E362-F382 HydrophobicContact CG-CD1 4.36Å; E362-F382 HydrophobicContact CG-CE1 4.38Å; I365-F382 HydrophobicContact CG2-CE1 3.98Å; I365-F382 HydrophobicContact CG2-CE2 4.2Å; I365-F382 HydrophobicContact CG2-CZ 3.57Å; L369-F382 HydrophobicContact CD1-CE2 4.1Å; L369-F382 HydrophobicContact CD1-CZ 4.3Å; Q379-F382 HydrophobicContact CG-CD2 4.41Å; Q379-F382 WeakPolarHBondContact O-CD2 3.39Å; Q379-F382 PolarHBondContact O-N 3.17Å; Q379-F382 VanDerWaalsContact O-N 3.11Å; L380-F382 PolarHBondContact O-N 2.94Å; F382-K384 PolarHBondContact O-N 2.98Å; F382-Y539 HydrophobicContact CB-CD2 4.19Å
383	L	95	Very high	95.8	Very high	10 Å²	10	27 Å²	27	5%	0.052	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-74.4	-10.7	170.7	-71.1	165.1	0	0	0	113	L380 V381 D385 F534 Y539	L380-L383 HydrophobicContact CB-CD1 4.46Å; L380-L383 HydrophobicContact CD2-CD1 3.46Å; L380-L383 VanDerWaalsContact CD2-CD1 3.46Å; L380-L383 WeakPolarHBondContact O-CB 3.45Å; L380-L383 PolarHBondContact O-N 3.04Å; V381-L383 PolarHBondContact O-N 3.12Å; L383-D385 PolarHBondContact O-N 3.44Å; L383-D385 VanDerWaalsContact O-N 3.11Å; L383-F534 HydrophobicContact CB-CE1 3.74Å; L383-F534 HydrophobicContact CB-CZ 3.76Å; L383-F534 HydrophobicContact CD1-CD1 4.16Å; L383-F534 HydrophobicContact CD1-CE1 4.06Å; L383-F534 HydrophobicContact CD2-CD1 4.08Å; L383-F534 HydrophobicContact CD2-CD2 4.12Å; L383-F534 HydrophobicContact CD2-CE1 3.9Å; L383-F534 HydrophobicContact CD2-CE2 3.91Å; L383-F534 HydrophobicContact CD2-CG 4.21Å; L383-F534 HydrophobicContact CD2-CZ 3.81Å; L383-F534 HydrophobicContact CG-CE1 4.11Å; L383-F534 HydrophobicContact CG-CZ 4.28Å; L383-F534 WeakPolarHBondContact O-CZ 3.35Å; L383-Y539 HydrophobicContact CD1-CE2 4.49Å; L383-Y539 HydrophobicContact CD2-CD1 3.87Å; L383-Y539 HydrophobicContact CD2-CD2 3.77Å; L383-Y539 HydrophobicContact CD2-CE1 4.42Å; L383-Y539 HydrophobicContact CD2-CE2 4.31Å; L383-Y539 HydrophobicContact CD2-CG 3.53Å; L383-Y539 HydrophobicContact CG-CD2 3.78Å; L383-Y539 HydrophobicContact CG-CE2 4.01Å; L383-Y539 HydrophobicContact CG-CG 4.09Å
384	K	93.7	Very high	95.7	Very high	107 Å²	107	29.3 Å²	29.3	47%	0.465	16%	0.162	S	C	.	.	S	Bend	trans	61.1	20.5	173.3	-55.4	171.9	-173.9	173	0	113.9	L360 E362 V381 F382 D538	L360-K384 HydrophobicContact CD2-CG 3.76Å; E362-K384 WeakPolarHBondContact OE1-CE 3.12Å; E362-K384 IonicContact OE1-NZ 3.4Å; E362-K384 PolarHBondContact OE1-NZ 3.31Å; V381-K384 PolarHBondContact O-N 3Å; F382-K384 PolarHBondContact O-N 2.98Å; K384-D538 WeakPolarHBondContact CE-OD2 3.24Å; K384-D538 IonicContact NZ-OD2 3.31Å; K384-D538 PolarHBondContact NZ-OD2 3.21Å
385	D	93.2	Very high	95.5	Very high	55 Å²	55	35.8 Å²	35.8	29%	0.294	19%	0.193	S	C	.	.			trans	-98.1	-4.3	177.1	69.9	-28.9	0	0	0	113.1	L383 F530 F534	L383-D385 PolarHBondContact O-N 3.44Å; L383-D385 VanDerWaalsContact O-N 3.11Å; D385-F530 PolarHBondContact OD2-N 2.92Å; D385-F534 HydrophobicContact CB-CE1 4.14Å; D385-F534 HydrophobicContact CB-CZ 4.39Å
386	K	94.7	Very high	95.5	Very high	10 Å²	10	38.1 Å²	38.1	4%	0.043	20%	0.203	C	C	.	.	S	Bend	trans	-118.3	155.5	-179.1	-69.8	174	-64.8	-71.7	0	111.1	L380 Q402 F530	L380-K386 PolarHBondContact O-NZ 3.3Å; K386-Q402 HydrophobicContact CD-CB 3.99Å; K386-F530 HydrophobicContact CD-CD2 3.98Å; K386-F530 HydrophobicContact CD-CE2 4.37Å; K386-F530 HydrophobicContact CG-CD2 4.07Å; K386-F530 PolarHBondContact NZ-O 3.32Å; K386-F530 VanDerWaalsContact NZ-O 3.09Å
387	K	96.2	Very high	95.6	Very high	70 Å²	70	38.4 Å²	38.4	30%	0.304	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	159.8	165.8	-68	-67.8	-176.9	176.5	0	109.4	E358 L403	E358-K387 CarbonylContact O-C 3.51Å; E358-K387 WeakPolarHBondContact O-CA 3.22Å; E358-K387 WeakPolarHBondContact O-CD 3.35Å; K387-L403 HydrophobicContact CB-CB 4.19Å; K387-L403 PolarHBondContact N-O 2.89Å; K387-L403 PolarHBondContact O-N 2.93Å
388	V	98.1	Very high	95.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	130.4	-179.7	-173.9	0	0	0	0	109.7	G357 E358 L360 I365 V381 Y390 F400 F401	G357-V388 CarbonylContact C-O 3.53Å; G357-V388 VanDerWaalsContact CA-O 3.23Å; G357-V388 WeakPolarHBondContact CA-O 3.25Å; E358-V388 PolarHBondContact N-O 2.92Å; E358-V388 PolarHBondContact O-N 2.87Å; L360-V388 HydrophobicContact CD1-CG2 4.4Å; I365-V388 HydrophobicContact CD1-CG1 3.98Å; V381-V388 HydrophobicContact CG2-CG2 3.64Å; V388-Y390 HydrophobicContact CB-CD2 4.36Å; V388-Y390 HydrophobicContact CB-CE2 3.68Å; V388-Y390 HydrophobicContact CG1-CD1 4.07Å; V388-Y390 HydrophobicContact CG1-CD2 3.91Å; V388-Y390 HydrophobicContact CG1-CE1 3.7Å; V388-Y390 HydrophobicContact CG1-CE2 3.5Å; V388-Y390 VanDerWaalsContact CG1-CE2 3.5Å; V388-Y390 HydrophobicContact CG1-CG 4.17Å; V388-F400 HydrophobicContact CG1-CB 3.77Å; V388-F400 HydrophobicContact CG1-CD2 4.02Å; V388-F400 HydrophobicContact CG1-CG 4.23Å; V388-F401 WeakPolarHBondContact CA-O 3.5Å
389	F	98.2	Very high	96	Very high	30 Å²	30	38 Å²	38	13%	0.132	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	125.8	164.4	176.9	-94	0	0	0	108.7	F400 F401 L403 A429 L430 E433	F389-F400 CarbonylContact O-C 3.52Å; F389-F400 WeakPolarHBondContact O-CA 3.4Å; F389-F401 HydrophobicContact CB-CB 4.46Å; F389-F401 AromaticContact CD1-CD2 3.8Å; F389-F401 HydrophobicContact CD1-CD2 3.8Å; F389-F401 HydrophobicContact CD1-CE2 4.26Å; F389-F401 PolarHBondContact N-O 3.23Å; F389-F401 PolarHBondContact O-N 3.26Å; F389-L403 HydrophobicContact CB-CD1 3.65Å; F389-L403 HydrophobicContact CB-CG 4.32Å; F389-A429 HydrophobicContact CE1-CB 4.4Å; F389-A429 HydrophobicContact CZ-CB 4.22Å; F389-L430 HydrophobicContact CB-CD1 4.07Å; F389-L430 HydrophobicContact CD1-CB 4Å; F389-L430 HydrophobicContact CD1-CD1 3.88Å; F389-L430 HydrophobicContact CD1-CG 4.43Å; F389-L430 HydrophobicContact CD2-CD1 4.09Å; F389-L430 HydrophobicContact CE1-CB 3.79Å; F389-L430 HydrophobicContact CE1-CD1 4.32Å; F389-L430 HydrophobicContact CG-CD1 3.75Å; F389-L430 HydrophobicContact CZ-CB 4.32Å; F389-E433 HydrophobicContact CE2-CB 4.02Å; F389-E433 HydrophobicContact CE2-CG 3.98Å; F389-E433 HydrophobicContact CZ-CB 4.48Å
390	Y	98.1	Very high	96.1	Very high	18 Å²	18	37.9 Å²	37.9	7%	0.071	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132	179.8	-60.1	-91	0	0	0	109	D361 R364 I365 I368 V388 F400	D361-Y390 PolarHBondContact N-OH 2.94Å; D361-Y390 VanDerWaalsContact N-OH 3.13Å; D361-Y390 PolarHBondContact O-OH 2.86Å; R364-Y390 HydrophobicContact CB-CE1 3.89Å; R364-Y390 VanDerWaalsContact NH2-CG 3.3Å; I365-Y390 HydrophobicContact CD1-CD1 4.5Å; I365-Y390 HydrophobicContact CD1-CE1 3.59Å; I365-Y390 HydrophobicContact CG1-CE1 3.97Å; I368-Y390 HydrophobicContact CD1-CD1 3.92Å; I368-Y390 HydrophobicContact CD1-CE1 4.32Å; V388-Y390 HydrophobicContact CB-CD2 4.36Å; V388-Y390 HydrophobicContact CB-CE2 3.68Å; V388-Y390 HydrophobicContact CG1-CD1 4.07Å; V388-Y390 HydrophobicContact CG1-CD2 3.91Å; V388-Y390 HydrophobicContact CG1-CE1 3.7Å; V388-Y390 HydrophobicContact CG1-CE2 3.5Å; V388-Y390 VanDerWaalsContact CG1-CE2 3.5Å; V388-Y390 HydrophobicContact CG1-CG 4.17Å; Y390-F400 HydrophobicContact CD1-CB 4.05Å; Y390-F400 HydrophobicContact CE1-CB 4.4Å
391	Y	98.1	Very high	96.2	Very high	47 Å²	47	37.8 Å²	37.8	18%	0.184	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	126.2	169.6	176.3	-103.3	0	0	0	109.6	N393 D397 T398 V399 D422 A425 A426 A429	Y391-N393 HydrophobicContact CE1-CB 4.08Å; Y391-D397 WeakPolarHBondContact O-CA 3.34Å; Y391-T398 PolarHBondContact O-N 3.27Å; Y391-V399 PolarHBondContact N-O 3.32Å; Y391-D422 HydrophobicContact CD1-CB 4.35Å; Y391-D422 HydrophobicContact CE1-CB 4.1Å; Y391-A425 HydrophobicContact CE1-CB 4.34Å; Y391-A425 HydrophobicContact CE2-CB 4.37Å; Y391-A425 VanDerWaalsContact OH-CB 3.31Å; Y391-A425 WeakPolarHBondContact OH-CB 3.24Å; Y391-A426 HydrophobicContact CD1-CB 3.73Å; Y391-A426 HydrophobicContact CD2-CB 4.01Å; Y391-A426 HydrophobicContact CE1-CB 4.43Å; Y391-A426 HydrophobicContact CG-CB 3.47Å; Y391-A426 VanDerWaalsContact CG-CB 3.47Å; Y391-A429 HydrophobicContact CD2-CB 3.67Å; Y391-A429 HydrophobicContact CE2-CB 3.88Å
392	N	97	Very high	96.3	Very high	73 Å²	73	37.8 Å²	37.8	39%	0.39	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.1	175.2	-170.9	-69.7	0	0	0	108.8	G394 E396 D397	N392-G394 PolarHBondContact O-N 3.41Å; N392-G394 WeakPolarHBondContact OD1-CA 3.26Å; N392-G394 PolarHBondContact OD1-N 3.25Å; N392-E396 VanDerWaalsContact CA-O 3.31Å; N392-E396 WeakPolarHBondContact CA-O 3.45Å; N392-E396 WeakPolarHBondContact ND2-CA 3.4Å; N392-E396 PolarHBondContact ND2-O 3.04Å; N392-D397 PolarHBondContact ND2-N 2.91Å; N392-D397 PolarHBondContact ND2-OD1 3.34Å
393	N	93.3	Very high	96.3	Very high	57 Å²	57	37.7 Å²	37.7	31%	0.305	20%	0.2	S	C	.	.			trans	-82.4	3.4	-177.2	70	-3.9	0	0	0	113.8	Y391 D395 E396 T398	Y391-N393 HydrophobicContact CE1-CB 4.08Å; N393-D395 PolarHBondContact OD1-N 3.33Å; N393-E396 PolarHBondContact N-O 3.13Å; N393-E396 VanDerWaalsContact N-O 3.14Å; N393-E396 PolarHBondContact OD1-N 3.1Å; N393-E396 PolarHBondContact OD1-O 3.01Å; N393-T398 HydrophobicContact CB-CG2 4.25Å; N393-T398 WeakPolarHBondContact ND2-CG2 3.2Å
394	G	93.5	Very high	96.3	Very high	64 Å²	64	38.4 Å²	38.4	66%	0.66	21%	0.205	S	C	*	.	S	Bend	trans	113.6	-29.2	-174.6	0	0	0	0	0	113.1	N392	N392-G394 PolarHBondContact O-N 3.41Å; N392-G394 WeakPolarHBondContact OD1-CA 3.26Å; N392-G394 PolarHBondContact OD1-N 3.25Å
395	D	91.5	Very high	96.2	Very high	154 Å²	154	34.2 Å²	34.2	82%	0.824	19%	0.189	S	C	*	.	S	Bend	trans	-105.5	-48.1	-179.1	-64.5	-41.3	0	0	0	111.4	N393	N393-D395 PolarHBondContact OD1-N 3.33Å
396	E	95.2	Very high	96.1	Very high	66 Å²	66	32.1 Å²	32.1	31%	0.308	18%	0.177	S	C	.	.	S	Bend	trans	-153.6	172	-178.5	68.7	178.6	155.4	0	0	112.6	H367 Y372 N392 N393 T398	H367-E396 IonicContact CD2-OE2 3.38Å; H367-E396 IonicContact CE1-OE2 3.8Å; H367-E396 IonicContact NE2-OE2 3.74Å; H367-E396 PolarHBondContact NE2-OE2 3.43Å; Y372-E396 PolarHBondContact OH-OE1 3.18Å; N392-E396 VanDerWaalsContact CA-O 3.31Å; N392-E396 WeakPolarHBondContact CA-O 3.45Å; N392-E396 WeakPolarHBondContact ND2-CA 3.4Å; N392-E396 PolarHBondContact ND2-O 3.04Å; N393-E396 PolarHBondContact N-O 3.13Å; N393-E396 VanDerWaalsContact N-O 3.14Å; N393-E396 PolarHBondContact OD1-N 3.1Å; N393-E396 PolarHBondContact OD1-O 3.01Å; E396-T398 HydrophobicContact CG-CG2 4.17Å; E396-T398 PolarHBondContact O-N 3.12Å
397	D	97.7	Very high	95.8	Very high	27 Å²	27	32.4 Å²	32.4	14%	0.144	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	121.9	174.3	-59.9	-17.5	0	0	0	109.5	R364 I368 Y391 N392	R364-D397 IonicContact CZ-OD2 2.71Å; R364-D397 IonicContact NE-OD2 3.47Å; R364-D397 PolarHBondContact NE-OD2 2.77Å; R364-D397 IonicContact NH2-OD1 3.1Å; R364-D397 IonicContact NH2-OD2 2.72Å; R364-D397 PolarHBondContact NH2-OD2 3.11Å; I368-D397 HydrophobicContact CD1-CB 3.94Å; I368-D397 HydrophobicContact CG1-CB 4.28Å; I368-D397 WeakPolarHBondContact CG1-O 3.46Å; Y391-D397 WeakPolarHBondContact O-CA 3.34Å; N392-D397 PolarHBondContact ND2-N 2.91Å; N392-D397 PolarHBondContact ND2-OD1 3.34Å
398	T	98.2	Very high	95.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	-23	-175.5	60	0	0	0	0	113.9	I368 Y372 Y391 N393 E396 G418 K419 D422	I368-T398 WeakPolarHBondContact CG2-O 3.46Å; Y372-T398 HydrophobicContact CE2-CG2 3.94Å; Y391-T398 PolarHBondContact O-N 3.27Å; N393-T398 HydrophobicContact CB-CG2 4.25Å; N393-T398 WeakPolarHBondContact ND2-CG2 3.2Å; E396-T398 HydrophobicContact CG-CG2 4.17Å; E396-T398 PolarHBondContact O-N 3.12Å; T398-G418 CarbonylContact O-C 3.58Å; T398-G418 WeakPolarHBondContact O-CA 3.36Å; T398-K419 HydrophobicContact CG2-CD 4.42Å; T398-K419 PolarHBondContact O-N 2.86Å; T398-D422 WeakPolarHBondContact CB-OD2 3.35Å; T398-D422 PolarHBondContact OG1-OD2 2.93Å
399	V	98.5	Very high	95.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	146.4	-176.9	-179.8	0	0	0	0	109.8	Y391 F401 P416 S417 D422 F423 A426	Y391-V399 PolarHBondContact N-O 3.32Å; V399-F401 HydrophobicContact CG1-CE2 4.12Å; V399-F401 HydrophobicContact CG1-CZ 4.48Å; V399-P416 HydrophobicContact CG1-CB 3.58Å; V399-S417 CarbonylContact C-O 3.58Å; V399-S417 VanDerWaalsContact CA-O 3.28Å; V399-S417 WeakPolarHBondContact CA-O 3.4Å; V399-D422 HydrophobicContact CG2-CB 3.87Å; V399-F423 HydrophobicContact CG1-CD1 3.95Å; V399-F423 HydrophobicContact CG1-CE1 4.04Å; V399-F423 HydrophobicContact CG2-CD1 3.79Å; V399-F423 HydrophobicContact CG2-CE1 4Å; V399-A426 HydrophobicContact CB-CB 3.92Å; V399-A426 HydrophobicContact CG1-CB 3.86Å; V399-A426 HydrophobicContact CG2-CB 4.22Å
400	F	98.5	Very high	95.2	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	156	167.1	75.1	-90.4	0	0	0	113.3	I365 I368 L369 V381 V388 F389 Y390 Q402 S417	I365-F400 HydrophobicContact CD1-CB 3.93Å; I365-F400 HydrophobicContact CD1-CD1 3.37Å; I365-F400 HydrophobicContact CD1-CD2 3.5Å; I365-F400 VanDerWaalsContact CD1-CD2 3.5Å; I365-F400 HydrophobicContact CD1-CE1 3.61Å; I365-F400 HydrophobicContact CD1-CE2 3.75Å; I365-F400 HydrophobicContact CD1-CG 3.3Å; I365-F400 HydrophobicContact CD1-CZ 3.79Å; I365-F400 HydrophobicContact CG2-CE1 4.36Å; I365-F400 HydrophobicContact CG2-CZ 4.35Å; I368-F400 HydrophobicContact CB-CD1 4.34Å; I368-F400 HydrophobicContact CD1-CB 4.3Å; I368-F400 HydrophobicContact CD1-CD1 4.05Å; I368-F400 HydrophobicContact CG2-CD1 3.97Å; I368-F400 HydrophobicContact CG2-CE1 4.34Å; L369-F400 HydrophobicContact CD1-CE1 4.33Å; L369-F400 HydrophobicContact CD1-CZ 4.34Å; L369-F400 HydrophobicContact CD2-CE1 3.69Å; L369-F400 HydrophobicContact CD2-CZ 3.99Å; L369-F400 HydrophobicContact CG-CE1 3.86Å; L369-F400 HydrophobicContact CG-CZ 4.29Å; V381-F400 HydrophobicContact CB-CE2 4.2Å; V381-F400 HydrophobicContact CG1-CE2 4.35Å; V381-F400 HydrophobicContact CG1-CZ 4.39Å; V381-F400 HydrophobicContact CG2-CE2 4.11Å; V388-F400 HydrophobicContact CG1-CB 3.77Å; V388-F400 HydrophobicContact CG1-CD2 4.02Å; V388-F400 HydrophobicContact CG1-CG 4.23Å; F389-F400 CarbonylContact O-C 3.52Å; F389-F400 WeakPolarHBondContact O-CA 3.4Å; Y390-F400 HydrophobicContact CD1-CB 4.05Å; Y390-F400 HydrophobicContact CE1-CB 4.4Å; F400-Q402 HydrophobicContact CD2-CG 4.27Å; F400-Q402 HydrophobicContact CE2-CG 3.88Å; F400-S417 PolarHBondContact N-O 2.96Å; F400-S417 PolarHBondContact O-N 3.17Å; F400-S417 VanDerWaalsContact O-N 3.09Å
401	F	98.4	Very high	95.1	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.009	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	142.4	174.9	-61.7	-97.5	0	0	0	110.7	V388 F389 V399 L403 V412 P416 A426 L430 F443	V388-F401 WeakPolarHBondContact CA-O 3.5Å; F389-F401 HydrophobicContact CB-CB 4.46Å; F389-F401 AromaticContact CD1-CD2 3.8Å; F389-F401 HydrophobicContact CD1-CD2 3.8Å; F389-F401 HydrophobicContact CD1-CE2 4.26Å; F389-F401 PolarHBondContact N-O 3.23Å; F389-F401 PolarHBondContact O-N 3.26Å; V399-F401 HydrophobicContact CG1-CE2 4.12Å; V399-F401 HydrophobicContact CG1-CZ 4.48Å; F401-L403 HydrophobicContact CB-CD2 3.97Å; F401-V412 HydrophobicContact CB-CG1 4.11Å; F401-V412 HydrophobicContact CD1-CG1 3.65Å; F401-V412 HydrophobicContact CG-CG1 4.32Å; F401-P416 HydrophobicContact CD1-CB 4.03Å; F401-P416 HydrophobicContact CE1-CB 3.6Å; F401-P416 HydrophobicContact CE1-CG 3.94Å; F401-P416 HydrophobicContact CE2-CB 4.48Å; F401-P416 HydrophobicContact CZ-CB 3.86Å; F401-P416 HydrophobicContact CZ-CG 4.31Å; F401-A426 HydrophobicContact CE2-CB 3.79Å; F401-A426 HydrophobicContact CZ-CB 4.05Å; F401-L430 HydrophobicContact CB-CD2 4.27Å; F401-L430 HydrophobicContact CD1-CD2 3.91Å; F401-L430 HydrophobicContact CD2-CD2 4.15Å; F401-L430 HydrophobicContact CE1-CD2 4.18Å; F401-L430 HydrophobicContact CE2-CB 4.44Å; F401-L430 HydrophobicContact CE2-CD2 4.4Å; F401-L430 HydrophobicContact CG-CD2 3.86Å; F401-L430 HydrophobicContact CZ-CD2 4.42Å; F401-F443 HydrophobicContact CE1-CE1 4.37Å
402	Q	97.9	Very high	95.1	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.009	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	119	177.5	-53.5	-175.8	71.5	0	0	109.8	D377 V381 K386 F400 V412 M413	D377-Q402 PolarHBondContact O-NE2 2.95Å; V381-Q402 HydrophobicContact CB-CG 4.22Å; V381-Q402 HydrophobicContact CG2-CG 4.15Å; K386-Q402 HydrophobicContact CD-CB 3.99Å; F400-Q402 HydrophobicContact CD2-CG 4.27Å; F400-Q402 HydrophobicContact CE2-CG 3.88Å; Q402-V412 WeakPolarHBondContact O-CA 3.49Å; Q402-M413 HydrophobicContact CB-CB 4.36Å; Q402-M413 PolarHBondContact O-N 2.65Å
403	L	97.3	Very high	95	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	144.8	-167.1	-53.8	-173.5	0	0	0	112.7	I356 K387 F389 F401 I410 L411 V412 L430	I356-L403 HydrophobicContact CG2-CD1 3.91Å; K387-L403 HydrophobicContact CB-CB 4.19Å; K387-L403 PolarHBondContact N-O 2.89Å; K387-L403 PolarHBondContact O-N 2.93Å; F389-L403 HydrophobicContact CB-CD1 3.65Å; F389-L403 HydrophobicContact CB-CG 4.32Å; F401-L403 HydrophobicContact CB-CD2 3.97Å; L403-I410 HydrophobicContact CB-CG2 4.33Å; L403-I410 HydrophobicContact CD1-CG2 4.08Å; L403-I410 HydrophobicContact CD2-CG2 3.85Å; L403-I410 HydrophobicContact CG-CG2 4.32Å; L403-L411 CarbonylContact C-O 3.56Å; L403-L411 WeakPolarHBondContact CA-O 3.29Å; L403-V412 HydrophobicContact CD2-CB 4.19Å; L403-V412 HydrophobicContact CD2-CG1 4.11Å; L403-V412 HydrophobicContact CD2-CG2 3.74Å; L403-L430 HydrophobicContact CD1-CD1 4.23Å; L403-L430 HydrophobicContact CD2-CD1 4.5Å; L403-L430 HydrophobicContact CD2-CD2 4.4Å
404	S	94.9	Very high	95	Very high	24 Å²	24	18.8 Å²	18.8	17%	0.168	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	136.3	163.3	-174.1	0	0	0	0	110.7	L411 T680	S404-L411 PolarHBondContact N-O 2.99Å; S404-L411 WeakPolarHBondContact O-CB 3.29Å; S404-L411 PolarHBondContact O-N 3.11Å; S404-T680 WeakPolarHBondContact OG-CG2 3.36Å
405	T	92.5	Very high	95.2	Very high	20 Å²	20	17 Å²	17	12%	0.123	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	127.7	-176.9	-56.6	0	0	0	0	110.3	I410 Y439	T405-I410 HydrophobicContact CG2-CD1 3.89Å; T405-I410 WeakPolarHBondContact OG1-CD1 3.15Å; T405-Y439 HydrophobicContact CG2-CD1 4.36Å; T405-Y439 HydrophobicContact CG2-CE1 3.71Å
406	F	89.8	Confident	95.5	Very high	10 Å²	10	9.8 Å²	9.8	4%	0.044	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	115.8	172	-174.2	-94.2	0	0	0	110.9	N408 K409 A676 I679 F699	F406-N408 PolarHBondContact O-N 2.92Å; F406-K409 PolarHBondContact N-O 3.5Å; F406-K409 WeakPolarHBondContact O-CA 3.34Å; F406-K409 WeakPolarHBondContact O-CB 3.29Å; F406-K409 PolarHBondContact O-N 2.84Å; F406-A676 HydrophobicContact CB-CB 4.46Å; F406-A676 HydrophobicContact CD1-CB 3.49Å; F406-A676 VanDerWaalsContact CD1-CB 3.49Å; F406-A676 HydrophobicContact CE1-CB 4.04Å; F406-A676 HydrophobicContact CG-CB 4.26Å; F406-I679 HydrophobicContact CD2-CG2 4.31Å; F406-I679 HydrophobicContact CE1-CD1 4.35Å; F406-I679 HydrophobicContact CE2-CB 4.13Å; F406-I679 HydrophobicContact CE2-CD1 4.32Å; F406-I679 HydrophobicContact CE2-CG2 3.52Å; F406-I679 HydrophobicContact CZ-CB 4.11Å; F406-I679 HydrophobicContact CZ-CD1 3.6Å; F406-I679 HydrophobicContact CZ-CG1 4.46Å; F406-I679 HydrophobicContact CZ-CG2 3.92Å; F406-F699 HydrophobicContact CE1-CD1 4.41Å; F406-F699 HydrophobicContact CE2-CD1 4.05Å; F406-F699 AromaticContact CZ-CD1 3.46Å; F406-F699 HydrophobicContact CZ-CD1 3.46Å; F406-F699 VanDerWaalsContact CZ-CD1 3.46Å; F406-F699 AromaticContact CZ-CE1 3.78Å; F406-F699 HydrophobicContact CZ-CE1 3.78Å
407	N	88.3	Confident	95.6	Very high	17 Å²	17	6.7 Å²	6.7	9%	0.091	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	-120.9	-171	-86.3	-57.5	0	0	0	111.6	I698	N407-I698 PolarHBondContact ND2-O 3.17Å; N407-I698 PolarHBondContact OD1-O 2.83Å
408	N	91	Very high	95.6	Very high	2 Å²	2	5.8 Å²	5.8	1%	0.011	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	18	172.8	74.2	-34.5	0	0	0	112.1	V279 S281 F406 Y439 L440	V279-N408 HydrophobicContact CB-CB 3.96Å; V279-N408 HydrophobicContact CG1-CB 3.67Å; S281-N408 WeakPolarHBondContact CB-OD1 3.27Å; F406-N408 PolarHBondContact O-N 2.92Å; N408-Y439 CarbonylContact O-C 3.48Å; N408-Y439 WeakPolarHBondContact O-CA 3.36Å; N408-L440 PolarHBondContact O-N 2.95Å
409	K	94.3	Very high	95.5	Very high	5 Å²	5	8.9 Å²	8.9	2%	0.022	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	131.6	177.7	-50.5	-53.2	-179.2	-157.7	0	110.5	E283 F406 L411 L440 V442 S668 A676	E283-K409 WeakPolarHBondContact OE2-CE 3.29Å; E283-K409 IonicContact OE2-NZ 2.71Å; E283-K409 PolarHBondContact OE2-NZ 3.33Å; F406-K409 PolarHBondContact N-O 3.5Å; F406-K409 WeakPolarHBondContact O-CA 3.34Å; F406-K409 WeakPolarHBondContact O-CB 3.29Å; F406-K409 PolarHBondContact O-N 2.84Å; K409-L411 HydrophobicContact CB-CD2 4.07Å; K409-L440 VanDerWaalsContact CA-O 3.26Å; K409-L440 WeakPolarHBondContact CA-O 3.44Å; K409-L440 HydrophobicContact CD-CB 4.04Å; K409-L440 VanDerWaalsContact NZ-CD1 3.31Å; K409-V442 HydrophobicContact CB-CG2 4.3Å; K409-V442 HydrophobicContact CD-CG2 4.36Å; K409-S668 WeakPolarHBondContact CE-OG 3.48Å; K409-S668 PolarHBondContact NZ-OG 2.91Å; K409-A676 HydrophobicContact CG-CB 4.37Å
410	I	96	Very high	95.4	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	104.2	167.4	-64	-62.6	0	0	0	106.9	I356 L403 T405 V412 V434 Y439 L440 P441 V442	I356-I410 HydrophobicContact CB-CD1 3.89Å; I356-I410 HydrophobicContact CB-CG1 4.36Å; I356-I410 HydrophobicContact CG1-CD1 3.93Å; I356-I410 HydrophobicContact CG1-CG1 4.16Å; L403-I410 HydrophobicContact CB-CG2 4.33Å; L403-I410 HydrophobicContact CD1-CG2 4.08Å; L403-I410 HydrophobicContact CD2-CG2 3.85Å; L403-I410 HydrophobicContact CG-CG2 4.32Å; T405-I410 HydrophobicContact CG2-CD1 3.89Å; T405-I410 WeakPolarHBondContact OG1-CD1 3.15Å; I410-V412 HydrophobicContact CG2-CG2 4.28Å; I410-V412 PolarHBondContact O-N 3.4Å; I410-V434 HydrophobicContact CB-CG1 4.16Å; I410-V434 HydrophobicContact CG1-CB 4.49Å; I410-V434 HydrophobicContact CG1-CG1 3.9Å; I410-V434 HydrophobicContact CG2-CG1 4.22Å; I410-Y439 HydrophobicContact CD1-CD1 3.98Å; I410-Y439 HydrophobicContact CD1-CE1 4.37Å; I410-Y439 HydrophobicContact CD1-CG 4.11Å; I410-Y439 HydrophobicContact CG1-CD1 4.04Å; I410-Y439 HydrophobicContact CG1-CG 3.86Å; I410-L440 PolarHBondContact N-O 2.86Å; I410-P441 CarbonylContact O-C 3.46Å; I410-P441 VanDerWaalsContact O-CA 3.25Å; I410-P441 WeakPolarHBondContact O-CA 3.25Å; I410-V442 PolarHBondContact O-N 3.16Å
411	L	96.5	Very high	95.3	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	110.7	178.6	-51	179.7	0	0	0	107.9	L403 S404 K409 V442 F530 A676 L677 T680	L403-L411 CarbonylContact C-O 3.56Å; L403-L411 WeakPolarHBondContact CA-O 3.29Å; S404-L411 PolarHBondContact N-O 2.99Å; S404-L411 WeakPolarHBondContact O-CB 3.29Å; S404-L411 PolarHBondContact O-N 3.11Å; K409-L411 HydrophobicContact CB-CD2 4.07Å; L411-V442 CarbonylContact C-O 3.57Å; L411-V442 WeakPolarHBondContact CA-O 3.4Å; L411-V442 HydrophobicContact CD2-CB 3.76Å; L411-V442 HydrophobicContact CD2-CG1 4.14Å; L411-V442 HydrophobicContact CD2-CG2 4.14Å; L411-F530 HydrophobicContact CB-CE1 4.31Å; L411-F530 HydrophobicContact CB-CE2 4.29Å; L411-F530 HydrophobicContact CB-CZ 3.6Å; L411-F530 HydrophobicContact CD1-CE1 4.46Å; L411-F530 HydrophobicContact CD1-CZ 4.43Å; L411-A676 HydrophobicContact CD2-CB 4.3Å; L411-L677 HydrophobicContact CD1-CD2 4.28Å; L411-L677 HydrophobicContact CD2-CD2 3.98Å; L411-L677 HydrophobicContact CD2-CG 4.48Å; L411-T680 HydrophobicContact CD1-CG2 3.83Å; L411-T680 WeakPolarHBondContact CD1-OG1 3.33Å
412	V	97.6	Very high	95.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	115	178.1	-172.4	0	0	0	0	107.4	F401 Q402 L403 I410 L430 P441 V442 F443 Y444	F401-V412 HydrophobicContact CB-CG1 4.11Å; F401-V412 HydrophobicContact CD1-CG1 3.65Å; F401-V412 HydrophobicContact CG-CG1 4.32Å; Q402-V412 WeakPolarHBondContact O-CA 3.49Å; L403-V412 HydrophobicContact CD2-CB 4.19Å; L403-V412 HydrophobicContact CD2-CG1 4.11Å; L403-V412 HydrophobicContact CD2-CG2 3.74Å; I410-V412 HydrophobicContact CG2-CG2 4.28Å; I410-V412 PolarHBondContact O-N 3.4Å; V412-L430 HydrophobicContact CG1-CD2 4.38Å; V412-L430 HydrophobicContact CG2-CD2 3.87Å; V412-P441 HydrophobicContact CG2-CB 4.35Å; V412-V442 PolarHBondContact N-O 3.42Å; V412-F443 HydrophobicContact CB-CD1 3.69Å; V412-F443 HydrophobicContact CB-CE1 4.05Å; V412-F443 HydrophobicContact CB-CG 4.23Å; V412-F443 HydrophobicContact CG1-CD1 3.73Å; V412-F443 HydrophobicContact CG1-CE1 3.9Å; V412-F443 HydrophobicContact CG2-CD1 3.96Å; V412-F443 HydrophobicContact CG2-CE1 3.89Å; V412-F443 HydrophobicContact CG2-CG 4.42Å; V412-F443 HydrophobicContact CG2-CZ 4.26Å; V412-Y444 PolarHBondContact O-N 3.32Å
413	M	94.9	Very high	95.2	Very high	2 Å²	2	18 Å²	18	1%	0.01	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	125.4	-175.9	-172.2	-117.7	164	0	0	111.2	D377 L380 Q402 F530	D377-M413 HydrophobicContact CB-CE 3.8Å; D377-M413 HydrophobicContact CB-SD 4.38Å; L380-M413 HydrophobicContact CD1-CE 3.57Å; L380-M413 HydrophobicContact CD1-SD 4.14Å; Q402-M413 HydrophobicContact CB-CB 4.36Å; Q402-M413 PolarHBondContact O-N 2.65Å; M413-F530 HydrophobicContact CB-CE2 3.94Å; M413-F530 HydrophobicContact CB-CZ 3.9Å; M413-F530 HydrophobicContact CG-CZ 4.45Å
414	G	93.4	Very high	95.2	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.8	-177.6	177	0	0	0	0	0	113.4	Y444 N446	G414-Y444 PolarHBondContact N-O 3.46Å; G414-N446 VanDerWaalsContact C-ND2 3.3Å; G414-N446 PolarHBondContact O-ND2 3.4Å
415	D	96.3	Very high	95.3	Very high	27 Å²	27	23.6 Å²	23.6	14%	0.144	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	152.9	171.1	-64.3	-30.4	0	0	0	110.2	N375 N446 S447 K660	N375-D415 PolarHBondContact ND2-O 3Å; D415-N446 WeakPolarHBondContact OD1-CA 3.23Å; D415-N446 WeakPolarHBondContact OD1-CB 3.21Å; D415-N446 PolarHBondContact OD1-ND2 2.91Å; D415-S447 VanDerWaalsContact CG-OG 3.27Å; D415-S447 PolarHBondContact OD1-N 2.93Å; D415-S447 PolarHBondContact OD1-OG 2.87Å; D415-S447 WeakPolarHBondContact OD2-CB 3.35Å; D415-S447 PolarHBondContact OD2-N 2.81Å; D415-S447 PolarHBondContact OD2-OG 2.8Å; D415-K660 IonicContact OD2-NZ 2.67Å; D415-K660 PolarHBondContact OD2-NZ 3.08Å; D415-K660 VanDerWaalsContact OD2-NZ 3.16Å
416	P	97.7	Very high	95.6	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.013	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	149.5	171.3	18.7	-29	0	0	0	111.6	N375 V399 F401 F423 M450	N375-P416 PolarHBondContact ND2-O 2.96Å; V399-P416 HydrophobicContact CG1-CB 3.58Å; F401-P416 HydrophobicContact CD1-CB 4.03Å; F401-P416 HydrophobicContact CE1-CB 3.6Å; F401-P416 HydrophobicContact CE1-CG 3.94Å; F401-P416 HydrophobicContact CE2-CB 4.48Å; F401-P416 HydrophobicContact CZ-CB 3.86Å; F401-P416 HydrophobicContact CZ-CG 4.31Å; P416-F423 HydrophobicContact CB-CD1 3.88Å; P416-F423 HydrophobicContact CB-CE1 3.85Å; P416-F423 HydrophobicContact CB-CG 4.24Å; P416-F423 HydrophobicContact CB-CZ 4.19Å; P416-F423 HydrophobicContact CG-CB 4.14Å; P416-F423 HydrophobicContact CG-CD1 3.78Å; P416-F423 HydrophobicContact CG-CD2 3.68Å; P416-F423 HydrophobicContact CG-CE1 4Å; P416-F423 HydrophobicContact CG-CE2 3.9Å; P416-F423 HydrophobicContact CG-CG 3.6Å; P416-F423 HydrophobicContact CG-CZ 4.06Å; P416-F423 WeakPolarHBondContact O-CZ 3.49Å; P416-M450 HydrophobicContact CG-SD 4.14Å
417	S	98	Very high	96	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.007	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	137.6	177.7	-63.7	0	0	0	0	110	N375 S378 V399 F400	N375-S417 PolarHBondContact ND2-OG 3.39Å; S378-S417 WeakPolarHBondContact OG-CB 3.01Å; S378-S417 PolarHBondContact OG-OG 3.48Å; V399-S417 CarbonylContact C-O 3.58Å; V399-S417 VanDerWaalsContact CA-O 3.28Å; V399-S417 WeakPolarHBondContact CA-O 3.4Å; F400-S417 PolarHBondContact N-O 2.96Å; F400-S417 PolarHBondContact O-N 3.17Å; F400-S417 VanDerWaalsContact O-N 3.09Å
418	G	97.5	Very high	96.4	Very high	7 Å²	7	26 Å²	26	7%	0.072	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	118.7	-143.9	-179	0	0	0	0	0	112.6	G373 T398 A420	G373-G418 WeakPolarHBondContact O-CA 3.37Å; G373-G418 PolarHBondContact O-N 3.43Å; T398-G418 CarbonylContact O-C 3.58Å; T398-G418 WeakPolarHBondContact O-CA 3.36Å; G418-A420 PolarHBondContact O-N 2.92Å; G418-A420 VanDerWaalsContact O-N 3.17Å
419	K	97.2	Very high	96.7	Very high	66 Å²	66	27.3 Å²	27.3	29%	0.287	16%	0.162	S	C	.	.			trans	-74.5	106.9	-169.4	-165.3	-177	174.4	-152.5	0	112	Y372 T398 S421 D422 F423	Y372-K419 HydrophobicContact CD1-CB 3.7Å; Y372-K419 HydrophobicContact CD1-CD 3.94Å; Y372-K419 HydrophobicContact CD1-CG 3.79Å; Y372-K419 HydrophobicContact CD2-CB 4.45Å; Y372-K419 HydrophobicContact CE1-CB 4.24Å; Y372-K419 HydrophobicContact CE1-CD 3.74Å; Y372-K419 HydrophobicContact CE1-CG 4.12Å; Y372-K419 HydrophobicContact CG-CB 3.8Å; Y372-K419 HydrophobicContact CG-CG 4.41Å; T398-K419 HydrophobicContact CG2-CD 4.42Å; T398-K419 PolarHBondContact O-N 2.86Å; K419-S421 VanDerWaalsContact C-N 3.26Å; K419-S421 WeakPolarHBondContact CE-OG 3.49Å; K419-S421 PolarHBondContact O-N 3.05Å; K419-S421 VanDerWaalsContact O-N 3.14Å; K419-D422 IonicContact NZ-OD1 2.86Å; K419-D422 PolarHBondContact NZ-OD1 2.78Å; K419-D422 IonicContact NZ-OD2 2.61Å; K419-D422 PolarHBondContact O-N 2.93Å; K419-F423 WeakPolarHBondContact O-CD1 3.3Å
420	A	95.2	Very high	96.9	Very high	61 Å²	61	27.1 Å²	27.1	50%	0.504	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-54.2	-36.4	-175.5	0	0	0	0	0	114.6	G418 D422 F423	G418-A420 PolarHBondContact O-N 2.92Å; G418-A420 VanDerWaalsContact O-N 3.17Å; A420-D422 PolarHBondContact O-N 2.99Å; A420-D422 VanDerWaalsContact O-N 3.15Å; A420-F423 HydrophobicContact CB-CD2 4.37Å; A420-F423 HydrophobicContact CB-CE2 4.13Å; A420-F423 HydrophobicContact CB-CZ 4.31Å; A420-F423 WeakPolarHBondContact O-CB 3.37Å; A420-F423 WeakPolarHBondContact O-CG 3.34Å; A420-F423 PolarHBondContact O-N 2.87Å; A420-F423 VanDerWaalsContact O-N 3.17Å
421	S	96.2	Very high	96.9	Very high	89 Å²	89	28 Å²	28	62%	0.622	17%	0.165	S	C	*	.	G	3₁₀ helix	trans	-62.5	-21.2	177.7	62.4	0	0	0	0	114.1	K419	K419-S421 VanDerWaalsContact C-N 3.26Å; K419-S421 WeakPolarHBondContact CE-OG 3.49Å; K419-S421 PolarHBondContact O-N 3.05Å; K419-S421 VanDerWaalsContact O-N 3.14Å
422	D	97.7	Very high	96.7	Very high	20 Å²	20	32.2 Å²	32.2	11%	0.107	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-98.8	-0.5	-176.1	-62.5	13.4	0	0	0	111.1	Y391 T398 V399 K419 A420 E424 A425 A426	Y391-D422 HydrophobicContact CD1-CB 4.35Å; Y391-D422 HydrophobicContact CE1-CB 4.1Å; T398-D422 WeakPolarHBondContact CB-OD2 3.35Å; T398-D422 PolarHBondContact OG1-OD2 2.93Å; V399-D422 HydrophobicContact CG2-CB 3.87Å; K419-D422 IonicContact NZ-OD1 2.86Å; K419-D422 PolarHBondContact NZ-OD1 2.78Å; K419-D422 IonicContact NZ-OD2 2.61Å; K419-D422 PolarHBondContact O-N 2.93Å; A420-D422 PolarHBondContact O-N 2.99Å; A420-D422 VanDerWaalsContact O-N 3.15Å; D422-E424 PolarHBondContact O-N 2.78Å; D422-A425 PolarHBondContact O-N 3.19Å; D422-A426 WeakPolarHBondContact O-CB 3.47Å; D422-A426 PolarHBondContact O-N 3.46Å
423	F	97.4	Very high	96.6	Very high	24 Å²	24	34.9 Å²	34.9	11%	0.105	20%	0.2	C	C	.	.	H	α-helix	trans	-62	-39.2	-175.3	-74.5	-1.2	0	0	0	113.7	V399 P416 K419 A420 T427 I453	V399-F423 HydrophobicContact CG1-CD1 3.95Å; V399-F423 HydrophobicContact CG1-CE1 4.04Å; V399-F423 HydrophobicContact CG2-CD1 3.79Å; V399-F423 HydrophobicContact CG2-CE1 4Å; P416-F423 HydrophobicContact CB-CD1 3.88Å; P416-F423 HydrophobicContact CB-CE1 3.85Å; P416-F423 HydrophobicContact CB-CG 4.24Å; P416-F423 HydrophobicContact CB-CZ 4.19Å; P416-F423 HydrophobicContact CG-CB 4.14Å; P416-F423 HydrophobicContact CG-CD1 3.78Å; P416-F423 HydrophobicContact CG-CD2 3.68Å; P416-F423 HydrophobicContact CG-CE1 4Å; P416-F423 HydrophobicContact CG-CE2 3.9Å; P416-F423 HydrophobicContact CG-CG 3.6Å; P416-F423 HydrophobicContact CG-CZ 4.06Å; P416-F423 WeakPolarHBondContact O-CZ 3.49Å; K419-F423 WeakPolarHBondContact O-CD1 3.3Å; A420-F423 HydrophobicContact CB-CD2 4.37Å; A420-F423 HydrophobicContact CB-CE2 4.13Å; A420-F423 HydrophobicContact CB-CZ 4.31Å; A420-F423 WeakPolarHBondContact O-CB 3.37Å; A420-F423 WeakPolarHBondContact O-CG 3.34Å; A420-F423 PolarHBondContact O-N 2.87Å; A420-F423 VanDerWaalsContact O-N 3.17Å; F423-T427 VanDerWaalsContact O-CB 3.24Å; F423-T427 WeakPolarHBondContact O-CB 3.13Å; F423-T427 PolarHBondContact O-N 2.85Å; F423-T427 PolarHBondContact O-OG1 3.38Å; F423-I453 HydrophobicContact CB-CD1 4.34Å
424	E	96.9	Very high	96.5	Very high	107 Å²	107	34.9 Å²	34.9	50%	0.5	20%	0.2	S	C	.	.	H	α-helix	trans	-62.6	-52.4	177.6	-170.8	-177.3	157	0	0	110.7	D422 A426 T427 E428 I453	D422-E424 PolarHBondContact O-N 2.78Å; E424-A426 VanDerWaalsContact C-N 3.35Å; E424-A426 PolarHBondContact O-N 2.85Å; E424-T427 PolarHBondContact O-N 2.9Å; E424-E428 PolarHBondContact O-N 2.93Å; E424-I453 HydrophobicContact CG-CG2 4.35Å
425	A	97.4	Very high	96.4	Very high	36 Å²	36	37.5 Å²	37.5	30%	0.298	21%	0.214	S	C	.	.	H	α-helix	trans	-65.2	-37	178.7	0	0	0	0	0	112.6	Y391 D422 E428 A429	Y391-A425 HydrophobicContact CE1-CB 4.34Å; Y391-A425 HydrophobicContact CE2-CB 4.37Å; Y391-A425 VanDerWaalsContact OH-CB 3.31Å; Y391-A425 WeakPolarHBondContact OH-CB 3.24Å; D422-A425 PolarHBondContact O-N 3.19Å; A425-E428 PolarHBondContact O-N 3.23Å; A425-A429 WeakPolarHBondContact O-CB 3.47Å; A425-A429 PolarHBondContact O-N 2.91Å
426	A	98	Very high	96.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66.4	-38.3	175.9	0	0	0	0	0	112.1	Y391 V399 F401 D422 E424 A429 L430	Y391-A426 HydrophobicContact CD1-CB 3.73Å; Y391-A426 HydrophobicContact CD2-CB 4.01Å; Y391-A426 HydrophobicContact CE1-CB 4.43Å; Y391-A426 HydrophobicContact CG-CB 3.47Å; Y391-A426 VanDerWaalsContact CG-CB 3.47Å; V399-A426 HydrophobicContact CB-CB 3.92Å; V399-A426 HydrophobicContact CG1-CB 3.86Å; V399-A426 HydrophobicContact CG2-CB 4.22Å; F401-A426 HydrophobicContact CE2-CB 3.79Å; F401-A426 HydrophobicContact CZ-CB 4.05Å; D422-A426 WeakPolarHBondContact O-CB 3.47Å; D422-A426 PolarHBondContact O-N 3.46Å; E424-A426 VanDerWaalsContact C-N 3.35Å; E424-A426 PolarHBondContact O-N 2.85Å; A426-A429 PolarHBondContact O-N 3.48Å; A426-L430 PolarHBondContact O-N 3.22Å
427	T	97.7	Very high	95.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-68.3	-44.1	176.2	-60.2	0	0	0	0	111	F423 E424 A429 L430 I431 F443 M450 I453 L454 F457	F423-T427 VanDerWaalsContact O-CB 3.24Å; F423-T427 WeakPolarHBondContact O-CB 3.13Å; F423-T427 PolarHBondContact O-N 2.85Å; F423-T427 PolarHBondContact O-OG1 3.38Å; E424-T427 PolarHBondContact O-N 2.9Å; T427-A429 VanDerWaalsContact C-N 3.34Å; T427-A429 PolarHBondContact O-N 3Å; T427-L430 PolarHBondContact O-N 2.78Å; T427-I431 HydrophobicContact CG2-CD1 3.89Å; T427-I431 HydrophobicContact CG2-CG1 4.47Å; T427-I431 VanDerWaalsContact O-CG1 3.31Å; T427-I431 WeakPolarHBondContact O-CG1 3.42Å; T427-I431 PolarHBondContact O-N 2.87Å; T427-F443 HydrophobicContact CG2-CE1 4.42Å; T427-F443 HydrophobicContact CG2-CZ 4.14Å; T427-M450 HydrophobicContact CG2-CE 3.53Å; T427-M450 WeakPolarHBondContact OG1-CE 3.23Å; T427-I453 HydrophobicContact CG2-CG2 4.34Å; T427-L454 HydrophobicContact CG2-CD2 3.64Å; T427-L454 HydrophobicContact CG2-CG 4.36Å; T427-F457 HydrophobicContact CG2-CE2 4.48Å
428	E	97.4	Very high	95.3	Very high	96 Å²	96	42.6 Å²	42.6	45%	0.449	23%	0.232	S	C	.	.	H	α-helix	trans	-58.1	-46.8	173.7	-176.2	175.9	-163	0	0	111.4	E424 A425 L430 I431 N432 F457	E424-E428 PolarHBondContact O-N 2.93Å; A425-E428 PolarHBondContact O-N 3.23Å; E428-L430 VanDerWaalsContact C-N 3.33Å; E428-L430 PolarHBondContact O-N 2.98Å; E428-I431 PolarHBondContact O-N 3.13Å; E428-N432 WeakPolarHBondContact O-CB 3.21Å; E428-N432 VanDerWaalsContact O-CG 3.31Å; E428-N432 PolarHBondContact O-N 2.91Å; E428-N432 PolarHBondContact O-ND2 3.44Å; E428-F457 HydrophobicContact CB-CE1 3.88Å; E428-F457 HydrophobicContact CB-CZ 3.71Å; E428-F457 HydrophobicContact CG-CE1 3.86Å; E428-F457 HydrophobicContact CG-CZ 4.18Å
429	A	97.5	Very high	95.1	Very high	31 Å²	31	42.4 Å²	42.4	26%	0.256	23%	0.229	S	C	.	.	H	α-helix	trans	-59.5	-43.7	177.7	0	0	0	0	0	111.9	F389 Y391 A425 A426 T427 N432 E433	F389-A429 HydrophobicContact CE1-CB 4.4Å; F389-A429 HydrophobicContact CZ-CB 4.22Å; Y391-A429 HydrophobicContact CD2-CB 3.67Å; Y391-A429 HydrophobicContact CE2-CB 3.88Å; A425-A429 WeakPolarHBondContact O-CB 3.47Å; A425-A429 PolarHBondContact O-N 2.91Å; A426-A429 PolarHBondContact O-N 3.48Å; T427-A429 VanDerWaalsContact C-N 3.34Å; T427-A429 PolarHBondContact O-N 3Å; A429-N432 PolarHBondContact O-N 2.79Å; A429-E433 WeakPolarHBondContact O-CB 3.45Å; A429-E433 PolarHBondContact O-N 3.17Å
430	L	97.5	Very high	94.9	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.7	-46.8	175.3	177.4	62.3	0	0	0	111.5	I356 F389 F401 L403 V412 A426 T427 E428 N432 E433 V434 F443	I356-L430 HydrophobicContact CG2-CD1 4.49Å; F389-L430 HydrophobicContact CB-CD1 4.07Å; F389-L430 HydrophobicContact CD1-CB 4Å; F389-L430 HydrophobicContact CD1-CD1 3.88Å; F389-L430 HydrophobicContact CD1-CG 4.43Å; F389-L430 HydrophobicContact CD2-CD1 4.09Å; F389-L430 HydrophobicContact CE1-CB 3.79Å; F389-L430 HydrophobicContact CE1-CD1 4.32Å; F389-L430 HydrophobicContact CG-CD1 3.75Å; F389-L430 HydrophobicContact CZ-CB 4.32Å; F401-L430 HydrophobicContact CB-CD2 4.27Å; F401-L430 HydrophobicContact CD1-CD2 3.91Å; F401-L430 HydrophobicContact CD2-CD2 4.15Å; F401-L430 HydrophobicContact CE1-CD2 4.18Å; F401-L430 HydrophobicContact CE2-CB 4.44Å; F401-L430 HydrophobicContact CE2-CD2 4.4Å; F401-L430 HydrophobicContact CG-CD2 3.86Å; F401-L430 HydrophobicContact CZ-CD2 4.42Å; L403-L430 HydrophobicContact CD1-CD1 4.23Å; L403-L430 HydrophobicContact CD2-CD1 4.5Å; L403-L430 HydrophobicContact CD2-CD2 4.4Å; V412-L430 HydrophobicContact CG1-CD2 4.38Å; V412-L430 HydrophobicContact CG2-CD2 3.87Å; A426-L430 PolarHBondContact O-N 3.22Å; T427-L430 PolarHBondContact O-N 2.78Å; E428-L430 VanDerWaalsContact C-N 3.33Å; E428-L430 PolarHBondContact O-N 2.98Å; L430-N432 VanDerWaalsContact C-N 3.33Å; L430-N432 PolarHBondContact O-N 3.11Å; L430-E433 PolarHBondContact O-N 3.34Å; L430-V434 HydrophobicContact CD1-CG1 3.93Å; L430-V434 HydrophobicContact CG-CG1 4.44Å; L430-V434 WeakPolarHBondContact O-CG1 3.34Å; L430-V434 WeakPolarHBondContact O-CG2 3.28Å; L430-V434 PolarHBondContact O-N 2.79Å; L430-F443 HydrophobicContact CD2-CE1 4.15Å; L430-F443 HydrophobicContact CD2-CZ 4.22Å
431	I	96	Very high	94.9	Very high	19 Å²	19	37.2 Å²	37.2	10%	0.097	20%	0.196	C	C	.	.	H	α-helix	trans	-59.2	-44.5	179.2	-71.7	169.4	0	0	0	110.9	T427 E428 V434 D435 P441 F443 L454 F457 Y459	T427-I431 HydrophobicContact CG2-CD1 3.89Å; T427-I431 HydrophobicContact CG2-CG1 4.47Å; T427-I431 VanDerWaalsContact O-CG1 3.31Å; T427-I431 WeakPolarHBondContact O-CG1 3.42Å; T427-I431 PolarHBondContact O-N 2.87Å; E428-I431 PolarHBondContact O-N 3.13Å; I431-V434 WeakPolarHBondContact O-CG2 2.93Å; I431-D435 WeakPolarHBondContact O-CB 3.25Å; I431-D435 PolarHBondContact O-N 3.45Å; I431-P441 HydrophobicContact CG1-CG 4.45Å; I431-F443 HydrophobicContact CG1-CZ 4.49Å; I431-L454 HydrophobicContact CD1-CD2 3.96Å; I431-F457 HydrophobicContact CD1-CB 3.82Å; I431-F457 HydrophobicContact CD1-CD1 3.96Å; I431-F457 HydrophobicContact CD1-CD2 3.91Å; I431-F457 HydrophobicContact CD1-CG 3.6Å; I431-Y459 HydrophobicContact CD1-CE2 3.83Å; I431-Y459 HydrophobicContact CG1-CE2 4.41Å
432	N	93.9	Very high	95	Very high	88 Å²	88	33 Å²	33	47%	0.471	17%	0.167	S	C	.	.	H	α-helix	trans	-65.9	-39.2	178.1	-72.4	-31.3	0	0	0	112	E428 A429 L430 R436	E428-N432 WeakPolarHBondContact O-CB 3.21Å; E428-N432 VanDerWaalsContact O-CG 3.31Å; E428-N432 PolarHBondContact O-N 2.91Å; E428-N432 PolarHBondContact O-ND2 3.44Å; A429-N432 PolarHBondContact O-N 2.79Å; L430-N432 VanDerWaalsContact C-N 3.33Å; L430-N432 PolarHBondContact O-N 3.11Å; N432-R436 WeakPolarHBondContact O-CB 3.47Å; N432-R436 PolarHBondContact O-N 3.11Å; N432-R436 VanDerWaalsContact O-N 3.1Å
433	E	94.6	Very high	95	Very high	57 Å²	57	32.1 Å²	32.1	27%	0.266	16%	0.161	S	C	.	.	H	α-helix	trans	-66.9	-44.9	178.1	-171.5	69	-179.6	0	0	111.7	I356 F389 A429 L430 R436 Y437	I356-E433 HydrophobicContact CD1-CG 4.4Å; I356-E433 HydrophobicContact CG2-CG 4.5Å; F389-E433 HydrophobicContact CE2-CB 4.02Å; F389-E433 HydrophobicContact CE2-CG 3.98Å; F389-E433 HydrophobicContact CZ-CB 4.48Å; A429-E433 WeakPolarHBondContact O-CB 3.45Å; A429-E433 PolarHBondContact O-N 3.17Å; L430-E433 PolarHBondContact O-N 3.34Å; E433-R436 IonicContact OE2-CZ 3.41Å; E433-R436 IonicContact OE2-NE 3.13Å; E433-R436 IonicContact OE2-NH2 3.26Å; E433-Y437 VanDerWaalsContact O-CD2 3.29Å; E433-Y437 WeakPolarHBondContact O-CD2 3.47Å; E433-Y437 WeakPolarHBondContact OE1-CE2 3.43Å
434	V	93.8	Very high	94.8	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	16%	0.158	C	C	.	.	H	α-helix	trans	-68.1	-38.6	178.9	-60.5	0	0	0	0	112.1	I356 I410 L430 I431 Y437 N438 Y439 P441	I356-V434 HydrophobicContact CG1-CG1 4.22Å; I356-V434 HydrophobicContact CG2-CG1 4.04Å; I410-V434 HydrophobicContact CB-CG1 4.16Å; I410-V434 HydrophobicContact CG1-CB 4.49Å; I410-V434 HydrophobicContact CG1-CG1 3.9Å; I410-V434 HydrophobicContact CG2-CG1 4.22Å; L430-V434 HydrophobicContact CD1-CG1 3.93Å; L430-V434 HydrophobicContact CG-CG1 4.44Å; L430-V434 WeakPolarHBondContact O-CG1 3.34Å; L430-V434 WeakPolarHBondContact O-CG2 3.28Å; L430-V434 PolarHBondContact O-N 2.79Å; I431-V434 WeakPolarHBondContact O-CG2 2.93Å; V434-Y437 PolarHBondContact O-N 3.41Å; V434-N438 PolarHBondContact O-N 3.36Å; V434-Y439 PolarHBondContact O-N 2.81Å; V434-P441 HydrophobicContact CG2-CB 4.09Å; V434-P441 HydrophobicContact CG2-CG 3.7Å
435	D	90.7	Very high	94.7	Very high	55 Å²	55	26.9 Å²	26.9	29%	0.294	14%	0.137	S	C	.	.	H	α-helix	trans	-68.1	-39.9	179.8	-174.8	42.8	0	0	0	112	H274 K275 I431 Y437 N438	H274-D435 IonicContact NE2-OD2 2.71Å; H274-D435 PolarHBondContact NE2-OD2 3Å; K275-D435 IonicContact NZ-OD1 3.88Å; K275-D435 PolarHBondContact NZ-OD1 3.22Å; I431-D435 WeakPolarHBondContact O-CB 3.25Å; I431-D435 PolarHBondContact O-N 3.45Å; D435-Y437 PolarHBondContact O-N 3.38Å; D435-Y437 VanDerWaalsContact O-N 3.13Å; D435-N438 WeakPolarHBondContact O-CA 3.17Å; D435-N438 PolarHBondContact O-N 3.19Å
436	R	89.9	Confident	94.6	Very high	103 Å²	103	25.2 Å²	25.2	39%	0.389	12%	0.123	S	C	.	.	H	α-helix	trans	-50.7	-38.9	173.3	-177.3	-164.2	-61.8	-133.3	11.6	112.6	K275 E276 N432 E433	K275-R436 CarbonylContact C-O 3.58Å; K275-R436 WeakPolarHBondContact CA-O 3.27Å; E276-R436 HydrophobicContact CB-CG 4.49Å; E276-R436 HydrophobicContact CG-CG 3.94Å; E276-R436 PolarHBondContact N-O 3.32Å; E276-R436 WeakPolarHBondContact OE1-CD 3.28Å; E276-R436 IonicContact OE1-NH1 2.61Å; E276-R436 PolarHBondContact OE1-NH1 3.41Å; N432-R436 WeakPolarHBondContact O-CB 3.47Å; N432-R436 PolarHBondContact O-N 3.11Å; N432-R436 VanDerWaalsContact O-N 3.1Å; E433-R436 IonicContact OE2-CZ 3.41Å; E433-R436 IonicContact OE2-NE 3.13Å; E433-R436 IonicContact OE2-NH2 3.26Å
437	Y	90.7	Very high	94.4	Very high	31 Å²	31	26.2 Å²	26.2	12%	0.122	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	14.3	179.1	-62.1	-69.5	0	0	0	114.1	E276 Q277 V279 I354 I356 E433 V434 D435 Y439	E276-Y437 HydrophobicContact CB-CD1 4.14Å; E276-Y437 HydrophobicContact CB-CE1 4.04Å; E276-Y437 WeakPolarHBondContact OE2-CE1 3.39Å; Q277-Y437 HydrophobicContact CB-CD1 4.22Å; V279-Y437 WeakPolarHBondContact CG2-O 3.1Å; I354-Y437 HydrophobicContact CB-CD1 4.07Å; I354-Y437 HydrophobicContact CB-CE1 4.16Å; I354-Y437 HydrophobicContact CD1-CD1 3.86Å; I354-Y437 HydrophobicContact CD1-CE1 3.35Å; I354-Y437 HydrophobicContact CG1-CE1 4.34Å; I354-Y437 HydrophobicContact CG2-CD1 4.16Å; I354-Y437 HydrophobicContact CG2-CE1 3.96Å; I354-Y437 HydrophobicContact CG2-CE2 4.32Å; I354-Y437 HydrophobicContact CG2-CG 4.43Å; I356-Y437 HydrophobicContact CD1-CD2 3.39Å; I356-Y437 HydrophobicContact CD1-CE2 4.17Å; I356-Y437 HydrophobicContact CD1-CG 4.04Å; E433-Y437 VanDerWaalsContact O-CD2 3.29Å; E433-Y437 WeakPolarHBondContact O-CD2 3.47Å; E433-Y437 WeakPolarHBondContact OE1-CE2 3.43Å; V434-Y437 PolarHBondContact O-N 3.41Å; D435-Y437 PolarHBondContact O-N 3.38Å; D435-Y437 VanDerWaalsContact O-N 3.13Å; Y437-Y439 PolarHBondContact O-N 3.29Å
438	N	88.8	Confident	94.2	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.021	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	39.4	177.3	-167.3	53.6	0	0	0	114.4	K275 Q277 V279 W284 V434 D435	K275-N438 HydrophobicContact CD-CB 4.1Å; K275-N438 PolarHBondContact NZ-OD1 3.01Å; Q277-N438 WeakPolarHBondContact O-CB 3.34Å; V279-N438 PolarHBondContact N-ND2 3.18Å; W284-N438 WeakPolarHBondContact CH2-ND2 3.42Å; W284-N438 WeakPolarHBondContact CH2-OD1 3.26Å; W284-N438 VanDerWaalsContact CZ3-ND2 3.28Å; W284-N438 WeakPolarHBondContact CZ3-ND2 3.42Å; V434-N438 PolarHBondContact O-N 3.36Å; D435-N438 WeakPolarHBondContact O-CA 3.17Å; D435-N438 PolarHBondContact O-N 3.19Å
439	Y	93.1	Very high	94.1	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.008	16%	0.161	C	C	.	.			trans	-99.7	160.8	165.3	-66.7	-83.8	0	0	0	110.9	V279 I354 I356 T405 N408 I410 V434 Y437	V279-Y439 HydrophobicContact CB-CE1 4.47Å; V279-Y439 HydrophobicContact CG1-CE1 4.16Å; V279-Y439 HydrophobicContact CG2-CD1 4.3Å; V279-Y439 HydrophobicContact CG2-CD2 4.38Å; V279-Y439 HydrophobicContact CG2-CE1 3.85Å; V279-Y439 HydrophobicContact CG2-CE2 3.97Å; I354-Y439 WeakPolarHBondContact O-CE2 3.45Å; I354-Y439 PolarHBondContact O-OH 2.92Å; I356-Y439 HydrophobicContact CD1-CD2 4.1Å; I356-Y439 HydrophobicContact CD1-CE2 4.23Å; I356-Y439 HydrophobicContact CG1-CD2 3.69Å; I356-Y439 HydrophobicContact CG1-CE2 3.91Å; I356-Y439 HydrophobicContact CG1-CG 4.43Å; T405-Y439 HydrophobicContact CG2-CD1 4.36Å; T405-Y439 HydrophobicContact CG2-CE1 3.71Å; N408-Y439 CarbonylContact O-C 3.48Å; N408-Y439 WeakPolarHBondContact O-CA 3.36Å; I410-Y439 HydrophobicContact CD1-CD1 3.98Å; I410-Y439 HydrophobicContact CD1-CE1 4.37Å; I410-Y439 HydrophobicContact CD1-CG 4.11Å; I410-Y439 HydrophobicContact CG1-CD1 4.04Å; I410-Y439 HydrophobicContact CG1-CG 3.86Å; V434-Y439 PolarHBondContact O-N 2.81Å; Y437-Y439 PolarHBondContact O-N 3.29Å
440	L	93.2	Very high	94	Very high	17 Å²	17	31.5 Å²	31.5	9%	0.089	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	115.3	176	-65.9	172.5	0	0	0	107.9	N408 K409 I410	N408-L440 PolarHBondContact O-N 2.95Å; K409-L440 VanDerWaalsContact CA-O 3.26Å; K409-L440 WeakPolarHBondContact CA-O 3.44Å; K409-L440 HydrophobicContact CD-CB 4.04Å; K409-L440 VanDerWaalsContact NZ-CD1 3.31Å; I410-L440 PolarHBondContact N-O 2.86Å
441	P	95.6	Very high	93.9	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.013	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	147.4	-178.8	34.1	-33.3	0	0	0	109.8	I410 V412 I431 V434 F443 Y459	I410-P441 CarbonylContact O-C 3.46Å; I410-P441 VanDerWaalsContact O-CA 3.25Å; I410-P441 WeakPolarHBondContact O-CA 3.25Å; V412-P441 HydrophobicContact CG2-CB 4.35Å; I431-P441 HydrophobicContact CG1-CG 4.45Å; V434-P441 HydrophobicContact CG2-CB 4.09Å; V434-P441 HydrophobicContact CG2-CG 3.7Å; P441-F443 HydrophobicContact CB-CE2 3.87Å; P441-F443 HydrophobicContact CB-CZ 4.32Å; P441-F443 HydrophobicContact CG-CE2 3.96Å; P441-Y459 VanDerWaalsContact CD-OH 3.28Å; P441-Y459 WeakPolarHBondContact CD-OH 3.34Å; P441-Y459 HydrophobicContact CG-CE1 3.9Å; P441-Y459 WeakPolarHBondContact CG-OH 3.36Å
442	V	97.2	Very high	93.8	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	111.8	175.4	175.8	0	0	0	0	106.1	K409 I410 L411 V412 V662 L663 V673 L677	K409-V442 HydrophobicContact CB-CG2 4.3Å; K409-V442 HydrophobicContact CD-CG2 4.36Å; I410-V442 PolarHBondContact O-N 3.16Å; L411-V442 CarbonylContact C-O 3.57Å; L411-V442 WeakPolarHBondContact CA-O 3.4Å; L411-V442 HydrophobicContact CD2-CB 3.76Å; L411-V442 HydrophobicContact CD2-CG1 4.14Å; L411-V442 HydrophobicContact CD2-CG2 4.14Å; V412-V442 PolarHBondContact N-O 3.42Å; V442-V662 HydrophobicContact CG1-CG1 4.1Å; V442-L663 CarbonylContact C-O 3.57Å; V442-L663 WeakPolarHBondContact CA-O 3.22Å; V442-V673 HydrophobicContact CB-CG1 4.42Å; V442-V673 HydrophobicContact CG1-CG1 3.53Å; V442-V673 HydrophobicContact CG2-CG1 3.97Å; V442-V673 HydrophobicContact CG2-CG2 4.3Å; V442-L677 HydrophobicContact CG1-CD1 4.37Å; V442-L677 HydrophobicContact CG1-CD2 4.34Å; V442-L677 HydrophobicContact CG1-CG 4.48Å
443	F	97.2	Very high	93.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	121	179	-63.7	-95.8	0	0	0	108.3	F401 V412 T427 L430 I431 P441 N446 L454 Y459 V662 L663	F401-F443 HydrophobicContact CE1-CE1 4.37Å; V412-F443 HydrophobicContact CB-CD1 3.69Å; V412-F443 HydrophobicContact CB-CE1 4.05Å; V412-F443 HydrophobicContact CB-CG 4.23Å; V412-F443 HydrophobicContact CG1-CD1 3.73Å; V412-F443 HydrophobicContact CG1-CE1 3.9Å; V412-F443 HydrophobicContact CG2-CD1 3.96Å; V412-F443 HydrophobicContact CG2-CE1 3.89Å; V412-F443 HydrophobicContact CG2-CG 4.42Å; V412-F443 HydrophobicContact CG2-CZ 4.26Å; T427-F443 HydrophobicContact CG2-CE1 4.42Å; T427-F443 HydrophobicContact CG2-CZ 4.14Å; L430-F443 HydrophobicContact CD2-CE1 4.15Å; L430-F443 HydrophobicContact CD2-CZ 4.22Å; I431-F443 HydrophobicContact CG1-CZ 4.49Å; P441-F443 HydrophobicContact CB-CE2 3.87Å; P441-F443 HydrophobicContact CB-CZ 4.32Å; P441-F443 HydrophobicContact CG-CE2 3.96Å; F443-N446 WeakPolarHBondContact CA-OD1 3.38Å; F443-N446 VanDerWaalsContact CB-OD1 3.23Å; F443-N446 WeakPolarHBondContact CB-OD1 3.42Å; F443-L454 HydrophobicContact CB-CD1 3.8Å; F443-L454 HydrophobicContact CD1-CD1 3.89Å; F443-L454 HydrophobicContact CD2-CD1 3.47Å; F443-L454 VanDerWaalsContact CD2-CD1 3.47Å; F443-L454 HydrophobicContact CD2-CD2 3.8Å; F443-L454 HydrophobicContact CD2-CG 4.31Å; F443-L454 HydrophobicContact CE1-CD1 4.31Å; F443-L454 HydrophobicContact CE1-CD2 4.34Å; F443-L454 HydrophobicContact CE2-CD1 3.94Å; F443-L454 HydrophobicContact CE2-CD2 3.39Å; F443-L454 HydrophobicContact CE2-CG 4.34Å; F443-L454 HydrophobicContact CG-CD1 3.44Å; F443-L454 VanDerWaalsContact CG-CD1 3.44Å; F443-L454 HydrophobicContact CG-CD2 4.44Å; F443-L454 HydrophobicContact CZ-CD1 4.34Å; F443-L454 HydrophobicContact CZ-CD2 3.7Å; F443-Y459 HydrophobicContact CD2-CD1 4.37Å; F443-Y459 HydrophobicContact CD2-CE1 4.22Å; F443-Y459 HydrophobicContact CE2-CD1 4.5Å; F443-Y459 HydrophobicContact CE2-CE1 4.02Å; F443-V662 CarbonylContact O-C 3.6Å; F443-V662 VanDerWaalsContact O-CA 3.29Å; F443-V662 WeakPolarHBondContact O-CA 3.42Å; F443-L663 HydrophobicContact CB-CB 4.14Å; F443-L663 HydrophobicContact CB-CD1 4.11Å; F443-L663 PolarHBondContact N-O 3.1Å; F443-L663 PolarHBondContact O-N 3.3Å
444	Y	94.8	Very high	94	Very high	8 Å²	8	31.1 Å²	31.1	3%	0.031	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.6	-169.6	177.7	-129.3	0	0	0	111.5	V412 G414 N446 F464 F530 V662 L677	V412-Y444 PolarHBondContact O-N 3.32Å; G414-Y444 PolarHBondContact N-O 3.46Å; Y444-N446 PolarHBondContact N-OD1 3.14Å; Y444-N446 PolarHBondContact O-OD1 3.21Å; Y444-F464 HydrophobicContact CD2-CD2 4.24Å; Y444-F464 HydrophobicContact CD2-CE2 4.15Å; Y444-F464 HydrophobicContact CE2-CD1 4.09Å; Y444-F464 AromaticContact CE2-CD2 3.65Å; Y444-F464 HydrophobicContact CE2-CD2 3.65Å; Y444-F464 AromaticContact CE2-CE1 3.72Å; Y444-F464 HydrophobicContact CE2-CE1 3.72Å; Y444-F464 AromaticContact CE2-CE2 3.23Å; Y444-F464 HydrophobicContact CE2-CE2 3.23Å; Y444-F464 HydrophobicContact CE2-CG 4.12Å; Y444-F464 AromaticContact CE2-CZ 3.33Å; Y444-F464 HydrophobicContact CE2-CZ 3.33Å; Y444-F464 AromaticContact CZ-CE2 3.98Å; Y444-F464 AromaticContact CZ-CZ 3.66Å; Y444-F464 WeakPolarHBondContact OH-CE1 3.38Å; Y444-F464 WeakPolarHBondContact OH-CZ 3.44Å; Y444-F530 AromaticContact CD1-CE1 3.7Å; Y444-F530 HydrophobicContact CD1-CE1 3.7Å; Y444-F530 HydrophobicContact CD1-CZ 4.39Å; Y444-F530 HydrophobicContact CE1-CE1 4.18Å; Y444-V662 HydrophobicContact CD2-CG2 3.69Å; Y444-V662 HydrophobicContact CE2-CG2 4.3Å; Y444-L677 HydrophobicContact CD1-CD2 4.08Å; Y444-L677 HydrophobicContact CD2-CD1 4.11Å; Y444-L677 HydrophobicContact CD2-CD2 3.84Å; Y444-L677 HydrophobicContact CG-CD2 3.6Å
445	E	93.3	Very high	93.9	Very high	14 Å²	14	36 Å²	36	7%	0.065	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67.9	31.9	-178.1	-51.9	-163.5	172.2	0	0	114.6	M611 K660 Y661	E445-M611 HydrophobicContact CB-CE 3.7Å; E445-M611 HydrophobicContact CG-CE 3.7Å; E445-M611 WeakPolarHBondContact OE2-CE 3.28Å; E445-K660 WeakPolarHBondContact O-CD 3.24Å; E445-K660 PolarHBondContact O-NZ 3.05Å; E445-Y661 PolarHBondContact N-O 3.47Å; E445-Y661 VanDerWaalsContact N-O 3.1Å
446	N	94.9	Very high	93.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	150.4	-178.1	-71.1	87.4	0	0	0	113.4	G414 D415 F443 Y444 M450 K660 Y661 L663	G414-N446 VanDerWaalsContact C-ND2 3.3Å; G414-N446 PolarHBondContact O-ND2 3.4Å; D415-N446 WeakPolarHBondContact OD1-CA 3.23Å; D415-N446 WeakPolarHBondContact OD1-CB 3.21Å; D415-N446 PolarHBondContact OD1-ND2 2.91Å; F443-N446 WeakPolarHBondContact CA-OD1 3.38Å; F443-N446 VanDerWaalsContact CB-OD1 3.23Å; F443-N446 WeakPolarHBondContact CB-OD1 3.42Å; Y444-N446 PolarHBondContact N-OD1 3.14Å; Y444-N446 PolarHBondContact O-OD1 3.21Å; N446-M450 HydrophobicContact CB-CB 3.94Å; N446-M450 HydrophobicContact CB-CG 4.1Å; N446-K660 WeakPolarHBondContact O-CA 3.34Å; N446-K660 VanDerWaalsContact O-CD 3.29Å; N446-K660 WeakPolarHBondContact O-CD 3.04Å; N446-Y661 PolarHBondContact N-O 3.42Å; N446-Y661 VanDerWaalsContact N-O 3.15Å; N446-Y661 PolarHBondContact O-N 2.84Å; N446-L663 HydrophobicContact CB-CD1 3.7Å
447	S	94.7	Very high	94	Very high	22 Å²	22	38.4 Å²	38.4	15%	0.154	18%	0.183	C	C	.	.			trans	-73.3	170.2	175.8	59	0	0	0	0	113	D415 E449 M450 V451	D415-S447 VanDerWaalsContact CG-OG 3.27Å; D415-S447 PolarHBondContact OD1-N 2.93Å; D415-S447 PolarHBondContact OD1-OG 2.87Å; D415-S447 WeakPolarHBondContact OD2-CB 3.35Å; D415-S447 PolarHBondContact OD2-N 2.81Å; D415-S447 PolarHBondContact OD2-OG 2.8Å; S447-E449 VanDerWaalsContact C-N 3.26Å; S447-E449 PolarHBondContact O-N 3.48Å; S447-M450 PolarHBondContact O-N 2.86Å; S447-V451 WeakPolarHBondContact O-CG2 3.07Å; S447-V451 PolarHBondContact O-N 2.52Å
448	E	94	Very high	94	Very high	115 Å²	115	38.4 Å²	38.4	54%	0.537	19%	0.192	S	C	.	.	H	α-helix	trans	-62.2	-31.6	173.1	-172	168.5	-176.8	0	0	112.9	M450 V451 M452 Y661	E448-M450 PolarHBondContact O-N 3.24Å; E448-V451 WeakPolarHBondContact O-CB 3.32Å; E448-V451 PolarHBondContact O-N 2.9Å; E448-V451 VanDerWaalsContact O-N 3.17Å; E448-M452 PolarHBondContact O-N 3.47Å; E448-Y661 HydrophobicContact CB-CE2 4.15Å
449	E	94.4	Very high	94.2	Very high	119 Å²	119	38.9 Å²	38.9	56%	0.556	19%	0.194	S	C	*	.	H	α-helix	trans	-59.2	-47.8	174	-178.4	178.6	-177.6	0	0	111.2	S447 V451 M452 I453	S447-E449 VanDerWaalsContact C-N 3.26Å; S447-E449 PolarHBondContact O-N 3.48Å; E449-V451 VanDerWaalsContact C-N 3.26Å; E449-V451 PolarHBondContact O-N 3.42Å; E449-M452 WeakPolarHBondContact O-CB 3.39Å; E449-M452 PolarHBondContact O-N 3.23Å; E449-M452 VanDerWaalsContact O-N 3.13Å; E449-I453 PolarHBondContact O-N 2.95Å
450	M	96.2	Very high	94.2	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.015	20%	0.203	C	C	.	.	H	α-helix	trans	-66.5	-28.9	177.7	-160.9	70.5	-125.1	0	0	112.4	P416 T427 N446 S447 E448 M452 I453 L454	P416-M450 HydrophobicContact CG-SD 4.14Å; T427-M450 HydrophobicContact CG2-CE 3.53Å; T427-M450 WeakPolarHBondContact OG1-CE 3.23Å; N446-M450 HydrophobicContact CB-CB 3.94Å; N446-M450 HydrophobicContact CB-CG 4.1Å; S447-M450 PolarHBondContact O-N 2.86Å; E448-M450 PolarHBondContact O-N 3.24Å; M450-M452 VanDerWaalsContact C-N 3.31Å; M450-I453 HydrophobicContact CE-CB 3.78Å; M450-I453 HydrophobicContact CE-CD1 4.21Å; M450-I453 HydrophobicContact CE-CG2 3.58Å; M450-I453 PolarHBondContact O-N 2.95Å; M450-I453 HydrophobicContact SD-CD1 4.36Å; M450-L454 HydrophobicContact CE-CD1 3.92Å; M450-L454 HydrophobicContact CE-CD2 4.24Å; M450-L454 HydrophobicContact CE-CG 3.63Å; M450-L454 HydrophobicContact CG-CD1 3.75Å; M450-L454 HydrophobicContact CG-CG 4.36Å; M450-L454 WeakPolarHBondContact O-CB 3.09Å; M450-L454 WeakPolarHBondContact O-CG 3.42Å; M450-L454 PolarHBondContact O-N 3.47Å
451	V	95.7	Very high	94	Very high	8 Å²	8	44.3 Å²	44.3	5%	0.048	22%	0.219	C	C	.	.	H	α-helix	trans	-60.5	-43.8	172.6	175	0	0	0	0	110.7	S447 E448 E449 H455 F461 Y661 L663	S447-V451 WeakPolarHBondContact O-CG2 3.07Å; S447-V451 PolarHBondContact O-N 2.52Å; E448-V451 WeakPolarHBondContact O-CB 3.32Å; E448-V451 PolarHBondContact O-N 2.9Å; E448-V451 VanDerWaalsContact O-N 3.17Å; E449-V451 VanDerWaalsContact C-N 3.26Å; E449-V451 PolarHBondContact O-N 3.42Å; V451-H455 WeakPolarHBondContact O-CB 3.03Å; V451-H455 PolarHBondContact O-N 3.46Å; V451-F461 HydrophobicContact CG1-CB 4.45Å; V451-F461 HydrophobicContact CG1-CD1 3.59Å; V451-F461 HydrophobicContact CG1-CD2 4.09Å; V451-F461 HydrophobicContact CG1-CE1 3.71Å; V451-F461 HydrophobicContact CG1-CE2 4.2Å; V451-F461 HydrophobicContact CG1-CG 3.79Å; V451-F461 HydrophobicContact CG1-CZ 4.01Å; V451-Y661 HydrophobicContact CG2-CD1 4.22Å; V451-Y661 HydrophobicContact CG2-CD2 3.44Å; V451-Y661 VanDerWaalsContact CG2-CD2 3.44Å; V451-Y661 HydrophobicContact CG2-CE2 3.99Å; V451-Y661 HydrophobicContact CG2-CG 3.57Å; V451-L663 HydrophobicContact CB-CD2 4.13Å; V451-L663 HydrophobicContact CG1-CD2 4.31Å; V451-L663 HydrophobicContact CG2-CD1 4.26Å; V451-L663 HydrophobicContact CG2-CD2 3.92Å; V451-L663 HydrophobicContact CG2-CG 4.44Å
452	M	93.8	Very high	93.7	Very high	124 Å²	124	44.6 Å²	44.6	61%	0.611	22%	0.22	S	C	*	.	H	α-helix	trans	-63.9	-46	179.2	-64.2	-57.7	-62.2	0	0	111.4	E448 E449 M450 H455	E448-M452 PolarHBondContact O-N 3.47Å; E449-M452 WeakPolarHBondContact O-CB 3.39Å; E449-M452 PolarHBondContact O-N 3.23Å; E449-M452 VanDerWaalsContact O-N 3.13Å; M450-M452 VanDerWaalsContact C-N 3.31Å; M452-H455 PolarHBondContact O-N 2.78Å
453	I	95.3	Very high	93.1	Very high	24 Å²	24	47.7 Å²	47.7	12%	0.123	23%	0.233	C	C	.	.	H	α-helix	trans	-60.1	-52.1	177	-63.2	170.8	0	0	0	110.7	F423 E424 T427 E449 M450 H455 E456 F457	F423-I453 HydrophobicContact CB-CD1 4.34Å; E424-I453 HydrophobicContact CG-CG2 4.35Å; T427-I453 HydrophobicContact CG2-CG2 4.34Å; E449-I453 PolarHBondContact O-N 2.95Å; M450-I453 HydrophobicContact CE-CB 3.78Å; M450-I453 HydrophobicContact CE-CD1 4.21Å; M450-I453 HydrophobicContact CE-CG2 3.58Å; M450-I453 PolarHBondContact O-N 2.95Å; M450-I453 HydrophobicContact SD-CD1 4.36Å; I453-H455 VanDerWaalsContact C-N 3.3Å; I453-H455 PolarHBondContact O-N 3.3Å; I453-E456 WeakPolarHBondContact O-CB 3.35Å; I453-E456 PolarHBondContact O-N 2.99Å; I453-F457 HydrophobicContact CG2-CE2 4.05Å; I453-F457 VanDerWaalsContact O-CD2 3.27Å; I453-F457 WeakPolarHBondContact O-CD2 3.37Å
454	L	95.8	Very high	92.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-71	-24.1	-175.8	-75.5	166.3	0	0	0	113.8	T427 I431 F443 M450 E456 F457 G458 Y459 L663	T427-L454 HydrophobicContact CG2-CD2 3.64Å; T427-L454 HydrophobicContact CG2-CG 4.36Å; I431-L454 HydrophobicContact CD1-CD2 3.96Å; F443-L454 HydrophobicContact CB-CD1 3.8Å; F443-L454 HydrophobicContact CD1-CD1 3.89Å; F443-L454 HydrophobicContact CD2-CD1 3.47Å; F443-L454 VanDerWaalsContact CD2-CD1 3.47Å; F443-L454 HydrophobicContact CD2-CD2 3.8Å; F443-L454 HydrophobicContact CD2-CG 4.31Å; F443-L454 HydrophobicContact CE1-CD1 4.31Å; F443-L454 HydrophobicContact CE1-CD2 4.34Å; F443-L454 HydrophobicContact CE2-CD1 3.94Å; F443-L454 HydrophobicContact CE2-CD2 3.39Å; F443-L454 HydrophobicContact CE2-CG 4.34Å; F443-L454 HydrophobicContact CG-CD1 3.44Å; F443-L454 VanDerWaalsContact CG-CD1 3.44Å; F443-L454 HydrophobicContact CG-CD2 4.44Å; F443-L454 HydrophobicContact CZ-CD1 4.34Å; F443-L454 HydrophobicContact CZ-CD2 3.7Å; M450-L454 HydrophobicContact CE-CD1 3.92Å; M450-L454 HydrophobicContact CE-CD2 4.24Å; M450-L454 HydrophobicContact CE-CG 3.63Å; M450-L454 HydrophobicContact CG-CD1 3.75Å; M450-L454 HydrophobicContact CG-CG 4.36Å; M450-L454 WeakPolarHBondContact O-CB 3.09Å; M450-L454 WeakPolarHBondContact O-CG 3.42Å; M450-L454 PolarHBondContact O-N 3.47Å; L454-E456 PolarHBondContact O-N 3.28Å; L454-F457 CarbonylContact O-C 3.59Å; L454-F457 PolarHBondContact O-N 3.25Å; L454-F457 VanDerWaalsContact O-N 3.14Å; L454-G458 PolarHBondContact O-N 2.94Å; L454-Y459 HydrophobicContact CB-CD2 4.5Å; L454-Y459 HydrophobicContact CB-CG 4.3Å; L454-Y459 HydrophobicContact CD2-CD2 4.11Å; L454-Y459 HydrophobicContact CD2-CE2 4.35Å; L454-Y459 HydrophobicContact CD2-CG 4.26Å; L454-Y459 WeakPolarHBondContact O-CB 3.16Å; L454-Y459 PolarHBondContact O-N 3.01Å; L454-Y459 VanDerWaalsContact O-N 3.16Å; L454-L663 HydrophobicContact CB-CD2 3.71Å; L454-L663 HydrophobicContact CD1-CB 3.93Å; L454-L663 HydrophobicContact CD1-CD1 3.99Å; L454-L663 HydrophobicContact CD1-CD2 3.79Å; L454-L663 HydrophobicContact CD1-CG 4.1Å; L454-L663 HydrophobicContact CG-CD2 4.4Å
455	H	92.2	Very high	91.9	Very high	105 Å²	105	47.8 Å²	47.8	49%	0.486	23%	0.234	S	C	.	.	H	α-helix	trans	-63.4	-32.7	173.5	-178.7	-89.5	0	0	0	111.5	V451 M452 I453 F457 G458	V451-H455 WeakPolarHBondContact O-CB 3.03Å; V451-H455 PolarHBondContact O-N 3.46Å; M452-H455 PolarHBondContact O-N 2.78Å; I453-H455 VanDerWaalsContact C-N 3.3Å; I453-H455 PolarHBondContact O-N 3.3Å; H455-F457 VanDerWaalsContact C-N 3.25Å; H455-F457 PolarHBondContact O-N 3.09Å; H455-G458 PolarHBondContact O-N 2.76Å
456	E	90.5	Very high	91.7	Very high	143 Å²	143	48.3 Å²	48.3	67%	0.668	24%	0.236	S	C	*	.	H	α-helix	trans	-65.6	-29.9	174.2	-59.4	-167.1	167.8	0	0	112.3	I453 L454 G458	I453-E456 WeakPolarHBondContact O-CB 3.35Å; I453-E456 PolarHBondContact O-N 2.99Å; L454-E456 PolarHBondContact O-N 3.28Å; E456-G458 VanDerWaalsContact C-N 3.28Å; E456-G458 PolarHBondContact O-N 2.78Å
457	F	91.8	Very high	91.5	Very high	64 Å²	64	49 Å²	49	28%	0.281	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	6.3	172.7	-60.7	-79	0	0	0	113.8	T427 E428 I431 I453 L454 H455 Y459	T427-F457 HydrophobicContact CG2-CE2 4.48Å; E428-F457 HydrophobicContact CB-CE1 3.88Å; E428-F457 HydrophobicContact CB-CZ 3.71Å; E428-F457 HydrophobicContact CG-CE1 3.86Å; E428-F457 HydrophobicContact CG-CZ 4.18Å; I431-F457 HydrophobicContact CD1-CB 3.82Å; I431-F457 HydrophobicContact CD1-CD1 3.96Å; I431-F457 HydrophobicContact CD1-CD2 3.91Å; I431-F457 HydrophobicContact CD1-CG 3.6Å; I453-F457 HydrophobicContact CG2-CE2 4.05Å; I453-F457 VanDerWaalsContact O-CD2 3.27Å; I453-F457 WeakPolarHBondContact O-CD2 3.37Å; L454-F457 CarbonylContact O-C 3.59Å; L454-F457 PolarHBondContact O-N 3.25Å; L454-F457 VanDerWaalsContact O-N 3.14Å; H455-F457 VanDerWaalsContact C-N 3.25Å; H455-F457 PolarHBondContact O-N 3.09Å; F457-Y459 HydrophobicContact CB-CD2 3.83Å; F457-Y459 HydrophobicContact CB-CE2 3.9Å
458	G	91	Very high	91.4	Very high	31 Å²	31	48 Å²	48	32%	0.32	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	19.5	174.4	0	0	0	0	0	115.6	L454 H455 E456	L454-G458 PolarHBondContact O-N 2.94Å; H455-G458 PolarHBondContact O-N 2.76Å; E456-G458 VanDerWaalsContact C-N 3.28Å; E456-G458 PolarHBondContact O-N 2.78Å
459	Y	94	Very high	91.5	Very high	15 Å²	15	43.2 Å²	43.2	6%	0.059	21%	0.21	C	C	.	.			trans	-74.7	140.7	176.6	-76	-111.5	0	0	0	111.2	I431 P441 F443 L454 F457	I431-Y459 HydrophobicContact CD1-CE2 3.83Å; I431-Y459 HydrophobicContact CG1-CE2 4.41Å; P441-Y459 VanDerWaalsContact CD-OH 3.28Å; P441-Y459 WeakPolarHBondContact CD-OH 3.34Å; P441-Y459 HydrophobicContact CG-CE1 3.9Å; P441-Y459 WeakPolarHBondContact CG-OH 3.36Å; F443-Y459 HydrophobicContact CD2-CD1 4.37Å; F443-Y459 HydrophobicContact CD2-CE1 4.22Å; F443-Y459 HydrophobicContact CE2-CD1 4.5Å; F443-Y459 HydrophobicContact CE2-CE1 4.02Å; L454-Y459 HydrophobicContact CB-CD2 4.5Å; L454-Y459 HydrophobicContact CB-CG 4.3Å; L454-Y459 HydrophobicContact CD2-CD2 4.11Å; L454-Y459 HydrophobicContact CD2-CE2 4.35Å; L454-Y459 HydrophobicContact CD2-CG 4.26Å; L454-Y459 WeakPolarHBondContact O-CB 3.16Å; L454-Y459 PolarHBondContact O-N 3.01Å; L454-Y459 VanDerWaalsContact O-N 3.16Å; F457-Y459 HydrophobicContact CB-CD2 3.83Å; F457-Y459 HydrophobicContact CB-CE2 3.9Å
460	D	92.1	Very high	91.6	Very high	39 Å²	39	37.6 Å²	37.6	21%	0.209	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	151.8	165.9	-73.1	-15.8	0	0	0	109.1	L663 Y664 R666	D460-L663 VanDerWaalsContact O-CA 3.3Å; D460-L663 WeakPolarHBondContact O-CA 3.28Å; D460-Y664 HydrophobicContact CB-CE1 4.28Å; D460-Y664 HydrophobicContact CB-CE2 4.23Å; D460-Y664 PolarHBondContact N-O 3.4Å; D460-Y664 PolarHBondContact O-N 2.85Å; D460-R666 IonicContact OD1-CZ 2.82Å; D460-R666 IonicContact OD1-NE 2.97Å; D460-R666 PolarHBondContact OD1-NE 2.95Å; D460-R666 IonicContact OD1-NH2 3.65Å; D460-R666 PolarHBondContact OD1-NH2 3.31Å; D460-R666 IonicContact OD2-NE 2.98Å
461	F	90.5	Very high	91.6	Very high	94 Å²	94	39 Å²	39	41%	0.412	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	150.1	179.3	65.2	-88.9	0	0	0	112	V451 Y661 V662 L663	V451-F461 HydrophobicContact CG1-CB 4.45Å; V451-F461 HydrophobicContact CG1-CD1 3.59Å; V451-F461 HydrophobicContact CG1-CD2 4.09Å; V451-F461 HydrophobicContact CG1-CE1 3.71Å; V451-F461 HydrophobicContact CG1-CE2 4.2Å; V451-F461 HydrophobicContact CG1-CG 3.79Å; V451-F461 HydrophobicContact CG1-CZ 4.01Å; F461-Y661 AromaticContact CD2-CD1 3.82Å; F461-Y661 HydrophobicContact CD2-CD1 3.82Å; F461-Y661 HydrophobicContact CD2-CE1 4.1Å; F461-Y661 HydrophobicContact CE2-CD1 4.48Å; F461-Y661 HydrophobicContact CE2-CE1 4.32Å; F461-V662 CarbonylContact C-O 3.45Å; F461-V662 VanDerWaalsContact CA-O 3.27Å; F461-V662 WeakPolarHBondContact CA-O 3.06Å; F461-L663 HydrophobicContact CB-CD2 3.78Å; F461-L663 HydrophobicContact CB-CG 3.74Å
462	I	87.5	Confident	91.7	Very high	7 Å²	7	38.6 Å²	38.6	4%	0.036	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	141	168.2	58.3	166.3	0	0	0	109.2	F464 A630 Y661 V662 Y664 I670 M674	I462-F464 PolarHBondContact O-N 3.06Å; I462-A630 HydrophobicContact CD1-CB 3.78Å; I462-Y661 VanDerWaalsContact O-CA 3.3Å; I462-Y661 WeakPolarHBondContact O-CA 3.5Å; I462-V662 HydrophobicContact CG1-CB 3.96Å; I462-V662 HydrophobicContact CG1-CG1 4.44Å; I462-V662 PolarHBondContact N-O 2.81Å; I462-V662 PolarHBondContact O-N 3.26Å; I462-Y664 HydrophobicContact CG2-CE1 4.36Å; I462-I670 HydrophobicContact CD1-CD1 3.86Å; I462-I670 HydrophobicContact CD1-CG1 4.3Å; I462-M674 HydrophobicContact CD1-SD 4.07Å
463	K	85	Confident	91.8	Very high	67 Å²	67	36 Å²	36	29%	0.291	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	121.9	170.5	-162.7	-179.6	-177.4	178.2	0	108.2	E466 L614 V617 P659 Y661	K463-E466 IonicContact NZ-OE1 3.84Å; K463-E466 PolarHBondContact NZ-OE1 3.22Å; K463-L614 HydrophobicContact CB-CD1 4.48Å; K463-L614 HydrophobicContact CD-CD1 3.39Å; K463-L614 VanDerWaalsContact CE-CD1 3.45Å; K463-L614 HydrophobicContact CG-CD1 3.7Å; K463-V617 HydrophobicContact CB-CG2 4.49Å; K463-V617 VanDerWaalsContact O-CG2 3.24Å; K463-V617 WeakPolarHBondContact O-CG2 3.41Å; K463-P659 HydrophobicContact CD-CB 4.35Å; K463-P659 VanDerWaalsContact CE-CB 3.41Å; K463-Y661 HydrophobicContact CB-CD1 4.08Å; K463-Y661 HydrophobicContact CB-CE1 3.92Å; K463-Y661 HydrophobicContact CG-CD1 4.34Å; K463-Y661 HydrophobicContact CG-CE1 4Å
464	F	82.1	Confident	91.7	Very high	10 Å²	10	40.2 Å²	40.2	4%	0.044	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-44.5	-176.9	175.7	-82.4	0	0	0	111	Y444 I462 M611 P613 L614 Y634 K660 V662	Y444-F464 HydrophobicContact CD2-CD2 4.24Å; Y444-F464 HydrophobicContact CD2-CE2 4.15Å; Y444-F464 HydrophobicContact CE2-CD1 4.09Å; Y444-F464 AromaticContact CE2-CD2 3.65Å; Y444-F464 HydrophobicContact CE2-CD2 3.65Å; Y444-F464 AromaticContact CE2-CE1 3.72Å; Y444-F464 HydrophobicContact CE2-CE1 3.72Å; Y444-F464 AromaticContact CE2-CE2 3.23Å; Y444-F464 HydrophobicContact CE2-CE2 3.23Å; Y444-F464 HydrophobicContact CE2-CG 4.12Å; Y444-F464 AromaticContact CE2-CZ 3.33Å; Y444-F464 HydrophobicContact CE2-CZ 3.33Å; Y444-F464 AromaticContact CZ-CE2 3.98Å; Y444-F464 AromaticContact CZ-CZ 3.66Å; Y444-F464 WeakPolarHBondContact OH-CE1 3.38Å; Y444-F464 WeakPolarHBondContact OH-CZ 3.44Å; I462-F464 PolarHBondContact O-N 3.06Å; F464-M611 HydrophobicContact CE1-CG 4.44Å; F464-P613 HydrophobicContact CE1-CB 4.38Å; F464-P613 HydrophobicContact CE1-CG 4.25Å; F464-L614 PolarHBondContact O-N 2.65Å; F464-Y634 AromaticContact CD2-CZ 3.89Å; F464-Y634 WeakPolarHBondContact CD2-OH 3.34Å; F464-Y634 AromaticContact CE2-CE1 3.84Å; F464-Y634 HydrophobicContact CE2-CE1 3.84Å; F464-Y634 AromaticContact CE2-CZ 3.59Å; F464-Y634 WeakPolarHBondContact CE2-OH 3.21Å; F464-Y634 WeakPolarHBondContact CG-OH 3.34Å; F464-Y634 HydrophobicContact CZ-CE1 4.1Å; F464-Y634 WeakPolarHBondContact CZ-OH 3.44Å; F464-K660 PolarHBondContact N-O 3.45Å; F464-V662 HydrophobicContact CB-CG2 4.01Å; F464-V662 HydrophobicContact CD2-CG2 3.43Å; F464-V662 VanDerWaalsContact CD2-CG2 3.43Å; F464-V662 HydrophobicContact CE2-CG2 4.31Å; F464-V662 HydrophobicContact CG-CG2 4.04Å
465	G	85.4	Confident	91.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	-171.8	-169.3	0	0	0	0	0	111.9	A612 K660	G465-A612 WeakPolarHBondContact CA-O 3.5Å; G465-K660 PolarHBondContact N-O 3.32Å; G465-K660 VanDerWaalsContact N-O 3.14Å; G465-K660 PolarHBondContact O-N 2.94Å
466	E	88.6	Confident	91.7	Very high	24 Å²	24	39.8 Å²	39.8	11%	0.112	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	140.5	172.7	-60	173.2	145.2	0	0	109.6	K463 M611 A612 L614 K647 W657 L658	K463-E466 IonicContact NZ-OE1 3.84Å; K463-E466 PolarHBondContact NZ-OE1 3.22Å; E466-M611 PolarHBondContact N-SD 3.42Å; E466-A612 PolarHBondContact N-O 2.87Å; E466-A612 PolarHBondContact O-N 3.13Å; E466-L614 HydrophobicContact CG-CD1 4.23Å; E466-L614 HydrophobicContact CG-CD2 4.16Å; E466-L614 HydrophobicContact CG-CG 4.23Å; E466-K647 IonicContact OE2-NZ 3.34Å; E466-K647 PolarHBondContact OE2-NZ 3.4Å; E466-W657 HydrophobicContact CB-CB 4.35Å; E466-W657 HydrophobicContact CB-CD2 4.45Å; E466-W657 HydrophobicContact CB-CE3 3.56Å; E466-W657 HydrophobicContact CB-CZ3 4.24Å; E466-L658 CarbonylContact C-O 3.55Å; E466-L658 WeakPolarHBondContact CA-O 3.06Å
467	R	90.8	Very high	91.8	Very high	15 Å²	15	34.5 Å²	34.5	6%	0.057	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	139.4	166.3	-68.8	-178.4	100.6	135.6	5.3	109.2	P376 D377 D608 M611 W657 L658 K660	P376-R467 VanDerWaalsContact CB-NH2 3.35Å; D377-R467 IonicContact OD1-CZ 3.01Å; D377-R467 VanDerWaalsContact OD1-CZ 3.26Å; D377-R467 IonicContact OD1-NH1 3.91Å; D377-R467 PolarHBondContact OD1-NH1 2.67Å; D377-R467 IonicContact OD1-NH2 2.75Å; D377-R467 PolarHBondContact OD1-NH2 2.93Å; D377-R467 IonicContact OD2-CZ 2.81Å; D377-R467 IonicContact OD2-NH1 2.65Å; D377-R467 PolarHBondContact OD2-NH1 3.26Å; R467-D608 IonicContact CZ-OD2 3.36Å; R467-D608 IonicContact NE-OD1 3.16Å; R467-D608 PolarHBondContact NE-OD1 2.75Å; R467-D608 IonicContact NE-OD2 3.8Å; R467-D608 PolarHBondContact NE-OD2 2.65Å; R467-D608 IonicContact NH2-OD2 2.87Å; R467-D608 PolarHBondContact NH2-OD2 3.2Å; R467-M611 HydrophobicContact CG-CE 4.18Å; R467-M611 HydrophobicContact CG-SD 4.33Å; R467-W657 CarbonylContact O-C 3.6Å; R467-W657 WeakPolarHBondContact O-CA 3.23Å; R467-L658 PolarHBondContact N-O 2.88Å; R467-L658 PolarHBondContact O-N 3.46Å; R467-K660 HydrophobicContact CG-CG 4.04Å
468	A	93.4	Very high	91.6	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	121.4	177.9	0	0	0	0	0	109.2	L609 K650 A654 W657	A468-L609 HydrophobicContact CB-CB 4.05Å; A468-L609 HydrophobicContact CB-CD1 4.15Å; A468-L609 WeakPolarHBondContact O-CB 3.43Å; A468-L609 PolarHBondContact O-N 3.49Å; A468-K650 HydrophobicContact CB-CB 4.12Å; A468-K650 HydrophobicContact CB-CD 4.25Å; A468-A654 HydrophobicContact CB-CB 3.73Å; A468-W657 HydrophobicContact CB-CD2 4.1Å; A468-W657 HydrophobicContact CB-CE3 3.77Å; A468-W657 HydrophobicContact CB-CH2 3.67Å; A468-W657 HydrophobicContact CB-CZ2 3.96Å; A468-W657 HydrophobicContact CB-CZ3 3.56Å
469	H	95.2	Very high	91.5	Very high	16 Å²	16	35.8 Å²	35.8	7%	0.074	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	146	171.3	-55.8	172.7	0	0	0	112	Y606 F607 D608 A654 N655 E656 L658	H469-Y606 HydrophobicContact CB-CD1 4.09Å; H469-F607 CarbonylContact C-O 3.49Å; H469-F607 VanDerWaalsContact CA-O 3.28Å; H469-F607 WeakPolarHBondContact CA-O 3.33Å; H469-D608 IonicContact CD2-OD1 3.79Å; H469-A654 CarbonylContact O-C 3.58Å; H469-A654 WeakPolarHBondContact O-CA 3.32Å; H469-N655 PolarHBondContact O-N 3.18Å; H469-E656 HydrophobicContact CB-CG 3.57Å; H469-E656 WeakPolarHBondContact CB-OE1 3.44Å; H469-E656 IonicContact CE1-OE1 3.89Å; H469-E656 IonicContact CG-OE1 3.38Å; H469-E656 PolarHBondContact N-O 3.28Å; H469-E656 IonicContact ND1-OE1 2.75Å; H469-E656 PolarHBondContact ND1-OE1 2.69Å; H469-E656 PolarHBondContact O-N 2.9Å; H469-L658 WeakPolarHBondContact CE1-CD1 3.22Å
470	V	96.7	Very high	91.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	124.4	171.9	-172.6	0	0	0	0	107.9	L472 F475 F595 Y606 F607 L609 N655	V470-L472 HydrophobicContact CG1-CD2 4.36Å; V470-L472 PolarHBondContact O-N 3.05Å; V470-F475 HydrophobicContact CG1-CD2 4.19Å; V470-F595 HydrophobicContact CG1-CE2 4.48Å; V470-F595 HydrophobicContact CG2-CE1 4.33Å; V470-F595 HydrophobicContact CG2-CE2 4.42Å; V470-F595 HydrophobicContact CG2-CZ 3.98Å; V470-Y606 CarbonylContact O-C 3.56Å; V470-Y606 WeakPolarHBondContact O-CA 3.5Å; V470-F607 HydrophobicContact CB-CB 4.31Å; V470-F607 PolarHBondContact N-O 2.79Å; V470-F607 PolarHBondContact O-N 3.03Å; V470-L609 HydrophobicContact CG2-CD1 3.61Å; V470-L609 HydrophobicContact CG2-CG 4.06Å; V470-N655 WeakPolarHBondContact CA-OD1 2.91Å
471	H	97.2	Very high	90.9	Very high	32 Å²	32	52.3 Å²	52.3	15%	0.148	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	106.6	172.8	-175	-124.4	0	0	0	108.4	D474 F475 Y606 N655	H471-D474 IonicContact CE1-OD1 3.83Å; H471-D474 IonicContact CE1-OD2 3.38Å; H471-D474 PolarHBondContact CE1-OD2 3Å; H471-D474 IonicContact CG-OD2 3.96Å; H471-D474 WeakPolarHBondContact ND1-CB 2.63Å; H471-D474 IonicContact ND1-OD1 3.75Å; H471-D474 IonicContact ND1-OD2 2.77Å; H471-D474 PolarHBondContact ND1-OD2 3.28Å; H471-D474 PolarHBondContact O-N 2.67Å; H471-F475 PolarHBondContact O-N 2.6Å; H471-Y606 HydrophobicContact CB-CD1 4.23Å; H471-Y606 HydrophobicContact CB-CE1 3.84Å; H471-Y606 AromaticContact CD2-CE1 3.64Å; H471-Y606 AromaticContact CD2-CZ 3.54Å; H471-N655 HydrophobicContact CB-CB 4.43Å; H471-N655 PolarHBondContact N-OD1 3.37Å
472	L	97.1	Very high	90.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-42.4	-170.5	-66.8	-174.1	0	0	0	113.4	V470 D474 F475 F595 M598 R599 I604 E605 F607	V470-L472 HydrophobicContact CG1-CD2 4.36Å; V470-L472 PolarHBondContact O-N 3.05Å; L472-D474 PolarHBondContact O-N 3.17Å; L472-F475 VanDerWaalsContact O-CB 3.26Å; L472-F475 WeakPolarHBondContact O-CB 2.64Å; L472-F475 PolarHBondContact O-N 3.42Å; L472-F595 HydrophobicContact CD2-CB 3.62Å; L472-F595 HydrophobicContact CD2-CD1 3.99Å; L472-F595 HydrophobicContact CD2-CG 3.93Å; L472-M598 HydrophobicContact CD1-CB 3.9Å; L472-R599 HydrophobicContact CB-CB 4.06Å; L472-R599 HydrophobicContact CB-CG 4.25Å; L472-R599 HydrophobicContact CD1-CB 4.43Å; L472-R599 WeakPolarHBondContact O-CD 3.34Å; L472-I604 HydrophobicContact CD1-CB 3.99Å; L472-I604 HydrophobicContact CD1-CG2 3.84Å; L472-E605 PolarHBondContact N-O 2.86Å; L472-F607 HydrophobicContact CD1-CB 4.22Å; L472-F607 HydrophobicContact CD2-CB 3.81Å; L472-F607 HydrophobicContact CG-CB 4.1Å
473	P	95.8	Very high	91	Very high	71 Å²	71	55.4 Å²	55.4	46%	0.461	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-36.3	176.4	-28.3	35.9	0	0	0	114	E605	P473-E605 WeakPolarHBondContact CD-O 3.41Å
474	D	93.9	Very high	91.2	Very high	112 Å²	112	54.6 Å²	54.6	60%	0.599	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-9.2	178	-69.1	-18.6	0	0	0	113.4	H471 L472 T476	H471-D474 IonicContact CE1-OD1 3.83Å; H471-D474 IonicContact CE1-OD2 3.38Å; H471-D474 PolarHBondContact CE1-OD2 3Å; H471-D474 IonicContact CG-OD2 3.96Å; H471-D474 WeakPolarHBondContact ND1-CB 2.63Å; H471-D474 IonicContact ND1-OD1 3.75Å; H471-D474 IonicContact ND1-OD2 2.77Å; H471-D474 PolarHBondContact ND1-OD2 3.28Å; H471-D474 PolarHBondContact O-N 2.67Å; L472-D474 PolarHBondContact O-N 3.17Å; D474-T476 PolarHBondContact O-N 3.21Å
475	F	94.9	Very high	91.6	Very high	19 Å²	19	55.3 Å²	55.3	8%	0.083	30%	0.3	C	S	.	.			trans	-67.8	120.2	-175.8	178.5	-103	0	0	0	111.4	V470 H471 L472 L477 M482 I592 F595 R599 Y653	V470-F475 HydrophobicContact CG1-CD2 4.19Å; H471-F475 PolarHBondContact O-N 2.6Å; L472-F475 VanDerWaalsContact O-CB 3.26Å; L472-F475 WeakPolarHBondContact O-CB 2.64Å; L472-F475 PolarHBondContact O-N 3.42Å; F475-L477 HydrophobicContact CE1-CD2 4.39Å; F475-L477 HydrophobicContact CZ-CD2 3.85Å; F475-L477 HydrophobicContact CZ-CG 4.45Å; F475-M482 HydrophobicContact CE2-CE 3.92Å; F475-M482 HydrophobicContact CZ-CE 4.29Å; F475-I592 HydrophobicContact CE1-CG2 4.46Å; F475-I592 HydrophobicContact CZ-CG1 4.21Å; F475-I592 HydrophobicContact CZ-CG2 4.47Å; F475-F595 HydrophobicContact CD1-CB 3.89Å; F475-F595 HydrophobicContact CD1-CD2 4.2Å; F475-F595 HydrophobicContact CD2-CD2 4.03Å; F475-F595 HydrophobicContact CE1-CB 4Å; F475-F595 AromaticContact CE1-CD2 3.89Å; F475-F595 HydrophobicContact CE1-CD2 3.89Å; F475-F595 HydrophobicContact CE1-CG 4.49Å; F475-F595 AromaticContact CE2-CD2 3.72Å; F475-F595 HydrophobicContact CE2-CD2 3.72Å; F475-F595 HydrophobicContact CE2-CE2 4.17Å; F475-F595 HydrophobicContact CG-CB 4.41Å; F475-F595 HydrophobicContact CG-CD2 4.27Å; F475-F595 AromaticContact CZ-CD2 3.65Å; F475-F595 HydrophobicContact CZ-CD2 3.65Å; F475-F595 HydrophobicContact CZ-CE2 4.37Å; F475-R599 PolarHBondContact O-NH1 3.25Å; F475-Y653 HydrophobicContact CE2-CD1 4.08Å
476	T	92.9	Very high	91.9	Very high	77 Å²	77	59.2 Å²	59.2	47%	0.472	31%	0.314	S	S	.	.			trans	-141	140.5	176.9	-176.1	0	0	0	0	111.4	D474 S478	D474-T476 PolarHBondContact O-N 3.21Å; T476-S478 VanDerWaalsContact CG2-OG 3.28Å; T476-S478 WeakPolarHBondContact CG2-OG 3.27Å; T476-S478 PolarHBondContact O-N 3.41Å; T476-S478 WeakPolarHBondContact OG1-CB 3.29Å; T476-S478 PolarHBondContact OG1-N 2.76Å; T476-S478 PolarHBondContact OG1-OG 3.13Å
477	L	91.5	Very high	92.1	Very high	32 Å²	32	61.9 Å²	61.9	17%	0.168	34%	0.336	C	S	.	.	S	Bend	trans	-78.2	-1.9	170.8	-64.2	176.9	0	0	0	112.8	F475 M482 R486 I592	F475-L477 HydrophobicContact CE1-CD2 4.39Å; F475-L477 HydrophobicContact CZ-CD2 3.85Å; F475-L477 HydrophobicContact CZ-CG 4.45Å; L477-M482 HydrophobicContact CD2-CE 3.99Å; L477-R486 PolarHBondContact O-NH1 3.3Å; L477-I592 HydrophobicContact CD1-CG2 3.7Å; L477-I592 HydrophobicContact CD2-CD1 3.87Å; L477-I592 HydrophobicContact CD2-CG1 4.04Å; L477-I592 HydrophobicContact CD2-CG2 3.81Å; L477-I592 HydrophobicContact CG-CG2 4.14Å
478	S	88.9	Confident	92.1	Very high	74 Å²	74	62.2 Å²	62.2	52%	0.517	34%	0.341	S	S	.	.			trans	-74.3	165.7	-179.9	70.7	0	0	0	0	112.3	T476	T476-S478 VanDerWaalsContact CG2-OG 3.28Å; T476-S478 WeakPolarHBondContact CG2-OG 3.27Å; T476-S478 PolarHBondContact O-N 3.41Å; T476-S478 WeakPolarHBondContact OG1-CB 3.29Å; T476-S478 PolarHBondContact OG1-N 2.76Å; T476-S478 PolarHBondContact OG1-OG 3.13Å
479	G	87.4	Confident	92.1	Very high	48 Å²	48	63.3 Å²	63.3	50%	0.495	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.4	176	177.6	0	0	0	0	0	115.8	R486	G479-R486 PolarHBondContact O-NH1 2.72Å
480	K	88.2	Confident	92	Very high	197 Å²	197	66.6 Å²	66.6	86%	0.857	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-36.1	-173.5	-170.7	-179.8	179.5	-176.9	0	112.7	M482 K483	K480-M482 VanDerWaalsContact C-N 3.31Å; K480-M482 PolarHBondContact O-N 3Å; K480-K483 WeakPolarHBondContact O-CB 3.3Å; K480-K483 PolarHBondContact O-N 2.79Å
481	K	85.4	Confident	91.8	Very high	203 Å²	203	71.2 Å²	71.2	88%	0.883	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-40.2	-179.6	-69.9	-172.4	178	-176.8	0	111.8	K483	K481-K483 VanDerWaalsContact C-N 3.34Å; K481-K483 PolarHBondContact O-N 3.39Å
482	M	90.3	Very high	91.6	Very high	23 Å²	23	69.7 Å²	69.7	11%	0.113	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	10.8	-178	-62.8	-58.2	-77.6	0	0	114.8	F475 L477 K480 G484 Q485 R486 Y653	F475-M482 HydrophobicContact CE2-CE 3.92Å; F475-M482 HydrophobicContact CZ-CE 4.29Å; L477-M482 HydrophobicContact CD2-CE 3.99Å; K480-M482 VanDerWaalsContact C-N 3.31Å; K480-M482 PolarHBondContact O-N 3Å; M482-G484 VanDerWaalsContact C-N 3.29Å; M482-G484 PolarHBondContact O-N 2.96Å; M482-Q485 HydrophobicContact CE-CB 3.86Å; M482-Q485 HydrophobicContact CE-CG 3.94Å; M482-Q485 PolarHBondContact O-N 2.71Å; M482-Q485 HydrophobicContact SD-CG 4.41Å; M482-R486 VanDerWaalsContact O-CB 3.28Å; M482-R486 WeakPolarHBondContact O-CB 3.48Å; M482-R486 PolarHBondContact O-N 3.12Å; M482-Y653 HydrophobicContact CE-CD1 4.09Å; M482-Y653 HydrophobicContact CE-CE1 3.87Å
483	K	90.2	Very high	91.4	Very high	144 Å²	144	74.1 Å²	74.1	63%	0.626	40%	0.4	S	S	*	.	H	α-helix	trans	-59.3	-40	-176.2	-175.9	-177.8	176.8	-175.4	0	112.1	K480 K481 S487	K480-K483 WeakPolarHBondContact O-CB 3.3Å; K480-K483 PolarHBondContact O-N 2.79Å; K481-K483 VanDerWaalsContact C-N 3.34Å; K481-K483 PolarHBondContact O-N 3.39Å; K483-S487 WeakPolarHBondContact O-CB 3.09Å; K483-S487 PolarHBondContact O-N 2.64Å
484	G	89.9	Confident	91.2	Very high	50 Å²	50	80 Å²	80	52%	0.515	42%	0.418	S	S	.	.	H	α-helix	trans	-65.7	-50.2	179.3	0	0	0	0	0	111.9	M482 S487 S488	M482-G484 VanDerWaalsContact C-N 3.29Å; M482-G484 PolarHBondContact O-N 2.96Å; G484-S487 WeakPolarHBondContact O-CB 3.43Å; G484-S487 PolarHBondContact O-N 3.31Å; G484-S488 PolarHBondContact O-N 3.3Å
485	Q	90.4	Very high	91.2	Very high	25 Å²	25	79 Å²	79	12%	0.117	41%	0.41	C	S	.	.	H	α-helix	trans	-61.8	-45.9	179.4	-68.7	74.3	13.4	0	0	111.2	M482 S487 S488 F489 I592 Y653	M482-Q485 HydrophobicContact CE-CB 3.86Å; M482-Q485 HydrophobicContact CE-CG 3.94Å; M482-Q485 PolarHBondContact O-N 2.71Å; M482-Q485 HydrophobicContact SD-CG 4.41Å; Q485-S487 VanDerWaalsContact C-N 3.32Å; Q485-S487 PolarHBondContact O-N 3.44Å; Q485-S488 WeakPolarHBondContact O-CB 3.46Å; Q485-S488 PolarHBondContact O-N 3.03Å; Q485-F489 WeakPolarHBondContact O-CB 3.45Å; Q485-F489 PolarHBondContact O-N 2.71Å; Q485-I592 HydrophobicContact CB-CD1 4.12Å; Q485-Y653 HydrophobicContact CG-CE1 3.95Å; Q485-Y653 WeakPolarHBondContact CG-OH 3.28Å
486	R	92.1	Very high	91.1	Very high	81 Å²	81	79.4 Å²	79.4	31%	0.306	42%	0.42	S	S	.	.	H	α-helix	trans	-62	-38.8	176	-174	171.4	65	-116.1	2.2	112.4	L477 G479 M482 N490	L477-R486 PolarHBondContact O-NH1 3.3Å; G479-R486 PolarHBondContact O-NH1 2.72Å; M482-R486 VanDerWaalsContact O-CB 3.28Å; M482-R486 WeakPolarHBondContact O-CB 3.48Å; M482-R486 PolarHBondContact O-N 3.12Å; R486-N490 WeakPolarHBondContact O-CB 3.23Å; R486-N490 VanDerWaalsContact O-CG 3.25Å; R486-N490 PolarHBondContact O-N 2.78Å; R486-N490 PolarHBondContact O-ND2 3.19Å
487	S	91.7	Very high	91.2	Very high	81 Å²	81	77.6 Å²	77.6	57%	0.566	41%	0.405	S	S	*	.	H	α-helix	trans	-66.8	-41.3	175.4	-170	0	0	0	0	112	K483 G484 Q485 K491	K483-S487 WeakPolarHBondContact O-CB 3.09Å; K483-S487 PolarHBondContact O-N 2.64Å; G484-S487 WeakPolarHBondContact O-CB 3.43Å; G484-S487 PolarHBondContact O-N 3.31Å; Q485-S487 VanDerWaalsContact C-N 3.32Å; Q485-S487 PolarHBondContact O-N 3.44Å; S487-K491 WeakPolarHBondContact O-CB 3.31Å; S487-K491 PolarHBondContact O-N 3.31Å; S487-K491 VanDerWaalsContact O-N 3.12Å
488	S	90.8	Very high	91.4	Very high	22 Å²	22	81.4 Å²	81.4	15%	0.154	42%	0.421	C	S	.	.	H	α-helix	trans	-62.2	-49.2	175.9	-166.4	0	0	0	0	110.8	G484 Q485 K491 V492 G585	G484-S488 PolarHBondContact O-N 3.3Å; Q485-S488 WeakPolarHBondContact O-CB 3.46Å; Q485-S488 PolarHBondContact O-N 3.03Å; S488-K491 WeakPolarHBondContact O-CB 3.41Å; S488-K491 PolarHBondContact O-N 3.14Å; S488-V492 PolarHBondContact O-N 2.92Å; S488-G585 VanDerWaalsContact OG-CA 3.23Å; S488-G585 WeakPolarHBondContact OG-CA 3.33Å
489	F	93.5	Very high	91.8	Very high	22 Å²	22	79.9 Å²	79.9	10%	0.096	41%	0.405	C	S	.	.	H	α-helix	trans	-57.3	-52.7	177.6	-176.2	-87.9	0	0	0	112.6	Q485 K491 V492 L493 F589 I592 N593	Q485-F489 WeakPolarHBondContact O-CB 3.45Å; Q485-F489 PolarHBondContact O-N 2.71Å; F489-K491 PolarHBondContact O-N 2.92Å; F489-V492 PolarHBondContact O-N 3.46Å; F489-L493 HydrophobicContact CE1-CD2 4.42Å; F489-L493 PolarHBondContact O-N 2.8Å; F489-F589 AromaticContact CD2-CD2 3.47Å; F489-F589 HydrophobicContact CD2-CD2 3.47Å; F489-F589 VanDerWaalsContact CD2-CD2 3.47Å; F489-F589 HydrophobicContact CD2-CE2 4.01Å; F489-F589 HydrophobicContact CD2-CG 4.31Å; F489-F589 HydrophobicContact CE1-CE2 4.38Å; F489-F589 AromaticContact CE2-CD2 3.61Å; F489-F589 HydrophobicContact CE2-CD2 3.61Å; F489-F589 AromaticContact CE2-CE2 3.72Å; F489-F589 HydrophobicContact CE2-CE2 3.72Å; F489-F589 HydrophobicContact CE2-CG 4.45Å; F489-F589 HydrophobicContact CG-CD2 4.01Å; F489-F589 HydrophobicContact CG-CE2 4.46Å; F489-F589 HydrophobicContact CZ-CD2 4.23Å; F489-F589 AromaticContact CZ-CE2 3.92Å; F489-F589 HydrophobicContact CZ-CE2 3.92Å; F489-I592 HydrophobicContact CB-CD1 4.1Å; F489-I592 HydrophobicContact CD2-CB 3.84Å; F489-I592 HydrophobicContact CD2-CD1 4.03Å; F489-I592 HydrophobicContact CD2-CG2 3.42Å; F489-I592 VanDerWaalsContact CD2-CG2 3.42Å; F489-I592 HydrophobicContact CE2-CB 4.1Å; F489-I592 HydrophobicContact CE2-CG2 3.48Å; F489-I592 VanDerWaalsContact CE2-CG2 3.48Å; F489-I592 HydrophobicContact CG-CD1 4.46Å; F489-I592 HydrophobicContact CG-CG2 4.3Å; F489-I592 HydrophobicContact CZ-CG2 4.39Å; F489-N593 WeakPolarHBondContact CE2-ND2 3.49Å
490	N	93.2	Very high	92.3	Very high	85 Å²	85	81.1 Å²	81.1	46%	0.455	40%	0.401	S	S	.	.	H	α-helix	trans	-65.3	-29	-179.1	-72.7	-12	0	0	0	112.8	R486 K494	R486-N490 WeakPolarHBondContact O-CB 3.23Å; R486-N490 VanDerWaalsContact O-CG 3.25Å; R486-N490 PolarHBondContact O-N 2.78Å; R486-N490 PolarHBondContact O-ND2 3.19Å; N490-K494 VanDerWaalsContact O-CB 3.25Å; N490-K494 WeakPolarHBondContact O-CB 3.34Å; N490-K494 PolarHBondContact O-N 3.24Å
491	K	93.1	Very high	92.7	Very high	98 Å²	98	72.7 Å²	72.7	43%	0.426	37%	0.366	S	S	.	.	H	α-helix	trans	-65.1	-52.6	175.3	178.9	-172.7	168.8	-169.4	0	110.3	S487 S488 F489 L493 K494 E495	S487-K491 WeakPolarHBondContact O-CB 3.31Å; S487-K491 PolarHBondContact O-N 3.31Å; S487-K491 VanDerWaalsContact O-N 3.12Å; S488-K491 WeakPolarHBondContact O-CB 3.41Å; S488-K491 PolarHBondContact O-N 3.14Å; F489-K491 PolarHBondContact O-N 2.92Å; K491-L493 VanDerWaalsContact C-N 3.3Å; K491-L493 PolarHBondContact O-N 3.1Å; K491-K494 PolarHBondContact O-N 3.36Å; K491-E495 WeakPolarHBondContact CE-OE1 3.37Å; K491-E495 IonicContact NZ-OE1 3.95Å; K491-E495 WeakPolarHBondContact O-CG 3.44Å; K491-E495 PolarHBondContact O-N 3.44Å
492	V	93.5	Very high	93.3	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-59.5	-43	179.3	176.5	0	0	0	0	110.8	S488 F489 K494 E495 Y497 P583 F589	S488-V492 PolarHBondContact O-N 2.92Å; F489-V492 PolarHBondContact O-N 3.46Å; V492-K494 PolarHBondContact O-N 3.35Å; V492-E495 PolarHBondContact O-N 3.19Å; V492-Y497 HydrophobicContact CG1-CD2 4.29Å; V492-Y497 HydrophobicContact CG1-CG 4.16Å; V492-Y497 PolarHBondContact O-N 3.15Å; V492-P583 HydrophobicContact CG1-CG 4.06Å; V492-P583 HydrophobicContact CG2-CG 4.11Å; V492-F589 HydrophobicContact CB-CB 4.21Å; V492-F589 HydrophobicContact CB-CD2 3.83Å; V492-F589 HydrophobicContact CB-CE2 4.38Å; V492-F589 HydrophobicContact CB-CG 4.01Å; V492-F589 HydrophobicContact CG1-CB 4.05Å; V492-F589 HydrophobicContact CG1-CD1 3.83Å; V492-F589 HydrophobicContact CG1-CD2 3.78Å; V492-F589 HydrophobicContact CG1-CE1 4.17Å; V492-F589 HydrophobicContact CG1-CE2 4.15Å; V492-F589 HydrophobicContact CG1-CG 3.61Å; V492-F589 HydrophobicContact CG1-CZ 4.32Å; V492-F589 HydrophobicContact CG2-CB 4.28Å
493	L	91.8	Very high	93.6	Very high	93 Å²	93	67.5 Å²	67.5	49%	0.487	35%	0.352	S	S	.	.	H	α-helix	trans	-61.9	-42.6	176	-171	68.3	0	0	0	112.7	F489 K491 E495 G496 F589	F489-L493 HydrophobicContact CE1-CD2 4.42Å; F489-L493 PolarHBondContact O-N 2.8Å; K491-L493 VanDerWaalsContact C-N 3.3Å; K491-L493 PolarHBondContact O-N 3.1Å; L493-E495 VanDerWaalsContact C-N 3.29Å; L493-E495 PolarHBondContact O-N 3.23Å; L493-G496 PolarHBondContact O-N 2.9Å; L493-G496 VanDerWaalsContact O-N 3.13Å; L493-F589 HydrophobicContact CB-CE2 4.23Å; L493-F589 HydrophobicContact CD1-CE2 4.44Å
494	K	92.6	Very high	93.9	Very high	194 Å²	194	62.6 Å²	62.6	84%	0.843	33%	0.334	S	S	*	.	H	α-helix	trans	-67.5	-29.6	178.5	-176.7	179	177.1	-175.8	0	112.7	N490 K491 V492 G496	N490-K494 VanDerWaalsContact O-CB 3.25Å; N490-K494 WeakPolarHBondContact O-CB 3.34Å; N490-K494 PolarHBondContact O-N 3.24Å; K491-K494 PolarHBondContact O-N 3.36Å; V492-K494 PolarHBondContact O-N 3.35Å; K494-G496 PolarHBondContact O-N 2.92Å
495	E	92.4	Very high	94.3	Very high	90 Å²	90	66.1 Å²	66.1	42%	0.421	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-2.9	174.8	-71.9	172.9	-172.9	0	0	112.8	K491 V492 L493 Y497 P583	K491-E495 WeakPolarHBondContact CE-OE1 3.37Å; K491-E495 IonicContact NZ-OE1 3.95Å; K491-E495 WeakPolarHBondContact O-CG 3.44Å; K491-E495 PolarHBondContact O-N 3.44Å; V492-E495 PolarHBondContact O-N 3.19Å; L493-E495 VanDerWaalsContact C-N 3.29Å; L493-E495 PolarHBondContact O-N 3.23Å; E495-Y497 HydrophobicContact CB-CD2 3.81Å; E495-Y497 HydrophobicContact CB-CE2 3.88Å; E495-P583 WeakPolarHBondContact OE2-CB 3.47Å
496	G	93.2	Very high	94.6	Very high	29 Å²	29	65.6 Å²	65.6	30%	0.299	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	7.9	172.7	0	0	0	0	0	114.6	L493 K494	L493-G496 PolarHBondContact O-N 2.9Å; L493-G496 VanDerWaalsContact O-N 3.13Å; K494-G496 PolarHBondContact O-N 2.92Å
497	Y	95.7	Very high	94.8	Very high	39 Å²	39	64.1 Å²	64.1	15%	0.153	35%	0.348	C	S	.	.			trans	-75.4	141.6	175.1	-67.2	-94.2	0	0	0	111.1	V492 E495 I548 R549 N550 V556 E581 P583	V492-Y497 HydrophobicContact CG1-CD2 4.29Å; V492-Y497 HydrophobicContact CG1-CG 4.16Å; V492-Y497 PolarHBondContact O-N 3.15Å; E495-Y497 HydrophobicContact CB-CD2 3.81Å; E495-Y497 HydrophobicContact CB-CE2 3.88Å; Y497-I548 HydrophobicContact CD1-CG2 4.06Å; Y497-R549 CarbonylContact C-O 3.6Å; Y497-R549 VanDerWaalsContact CA-O 3.22Å; Y497-R549 WeakPolarHBondContact CA-O 3.19Å; Y497-R549 WeakPolarHBondContact CD1-O 3.46Å; Y497-N550 HydrophobicContact CD1-CB 3.98Å; Y497-N550 HydrophobicContact CE1-CB 3.55Å; Y497-V556 HydrophobicContact CD1-CG2 3.98Å; Y497-V556 HydrophobicContact CE1-CG1 4.5Å; Y497-V556 HydrophobicContact CE1-CG2 3.91Å; Y497-E581 PolarHBondContact OH-O 2.93Å; Y497-E581 VanDerWaalsContact OH-O 3.08Å; Y497-P583 HydrophobicContact CD1-CG 4.29Å; Y497-P583 HydrophobicContact CD2-CG 3.77Å; Y497-P583 HydrophobicContact CE1-CG 4.13Å; Y497-P583 HydrophobicContact CE2-CB 4.09Å; Y497-P583 HydrophobicContact CE2-CG 3.59Å; Y497-P583 HydrophobicContact CG-CG 4.13Å; Y497-P583 VanDerWaalsContact CZ-CD 3.47Å
498	Q	95.8	Very high	95.1	Very high	111 Å²	111	64.5 Å²	64.5	52%	0.519	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	145.5	-176.6	-59.1	-174.9	9.4	0	0	110.6	I548 R549	Q498-I548 CarbonylContact O-C 3.58Å; Q498-I548 VanDerWaalsContact O-CA 3.27Å; Q498-I548 WeakPolarHBondContact O-CA 3.31Å; Q498-R549 PolarHBondContact N-O 2.96Å; Q498-R549 PolarHBondContact O-N 2.96Å
499	F	97	Very high	95.3	Very high	42 Å²	42	70 Å²	70	18%	0.184	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	136	171.1	170.8	-91	0	0	0	108.8	V501 A546 F589 L590 N593 L594 Y597	F499-V501 HydrophobicContact CE1-CG2 3.63Å; F499-V501 HydrophobicContact CZ-CG2 3.58Å; F499-A546 HydrophobicContact CE2-CB 3.54Å; F499-A546 HydrophobicContact CZ-CB 3.93Å; F499-F589 HydrophobicContact CB-CE1 3.99Å; F499-F589 HydrophobicContact CB-CZ 4.45Å; F499-L590 HydrophobicContact CD2-CD1 4.22Å; F499-L590 HydrophobicContact CE2-CD1 4.03Å; F499-N593 HydrophobicContact CB-CB 3.96Å; F499-N593 HydrophobicContact CD1-CB 3.73Å; F499-N593 HydrophobicContact CD2-CB 3.43Å; F499-N593 VanDerWaalsContact CD2-CB 3.43Å; F499-N593 HydrophobicContact CE1-CB 4.01Å; F499-N593 HydrophobicContact CE2-CB 3.7Å; F499-N593 HydrophobicContact CG-CB 3.42Å; F499-N593 VanDerWaalsContact CG-CB 3.42Å; F499-N593 HydrophobicContact CZ-CB 3.99Å; F499-L594 HydrophobicContact CE2-CD2 4.39Å; F499-L594 HydrophobicContact CE2-CG 4.26Å; F499-L594 HydrophobicContact CZ-CD2 4.34Å; F499-Y597 HydrophobicContact CE1-CD2 4.26Å; F499-Y597 HydrophobicContact CE1-CG 4.35Å
500	D	96.9	Very high	95.5	Very high	74 Å²	74	70.6 Å²	70.6	40%	0.396	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	155.4	176.8	-172.8	22.2	0	0	0	109.8	A546 V547	D500-A546 CarbonylContact O-C 3.57Å; D500-A546 WeakPolarHBondContact O-CA 3.39Å; D500-V547 HydrophobicContact CB-CG2 3.98Å; D500-V547 PolarHBondContact N-O 2.9Å; D500-V547 PolarHBondContact O-N 3.41Å
501	V	98.1	Very high	95.7	Very high	20 Å²	20	67 Å²	67	12%	0.121	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	108.7	175.2	179.5	0	0	0	0	108.4	F499 P544 A546 F561 Y597	F499-V501 HydrophobicContact CE1-CG2 3.63Å; F499-V501 HydrophobicContact CZ-CG2 3.58Å; V501-P544 HydrophobicContact CG1-CB 3.79Å; V501-A546 HydrophobicContact CG2-CB 4.46Å; V501-F561 HydrophobicContact CG1-CE1 4.38Å; V501-F561 HydrophobicContact CG1-CZ 4.26Å; V501-F561 HydrophobicContact CG2-CZ 4.27Å; V501-Y597 HydrophobicContact CB-CE1 4.36Å; V501-Y597 HydrophobicContact CB-CE2 3.99Å; V501-Y597 HydrophobicContact CG1-CE1 4.15Å; V501-Y597 HydrophobicContact CG2-CD1 4.08Å; V501-Y597 HydrophobicContact CG2-CD2 3.85Å; V501-Y597 HydrophobicContact CG2-CE1 3.93Å; V501-Y597 HydrophobicContact CG2-CE2 3.7Å; V501-Y597 HydrophobicContact CG2-CG 4.04Å
502	I	97.5	Very high	95.9	Very high	25 Å²	25	70.5 Å²	70.5	13%	0.128	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	144.2	177.5	55.2	166.8	0	0	0	110.1	F506 T510 P544 I545 V547	I502-F506 HydrophobicContact CB-CE1 3.89Å; I502-F506 HydrophobicContact CD1-CD1 3.88Å; I502-F506 HydrophobicContact CD1-CE1 3.63Å; I502-F506 HydrophobicContact CD1-CZ 4.49Å; I502-F506 HydrophobicContact CG1-CD1 4.31Å; I502-F506 HydrophobicContact CG1-CE1 3.59Å; I502-F506 HydrophobicContact CG1-CZ 4.31Å; I502-T510 HydrophobicContact CD1-CG2 3.74Å; I502-P544 CarbonylContact O-C 3.58Å; I502-P544 VanDerWaalsContact O-CA 3.32Å; I502-P544 WeakPolarHBondContact O-CA 3.3Å; I502-I545 HydrophobicContact CD1-CB 4.41Å; I502-I545 HydrophobicContact CG1-CB 4.05Å; I502-I545 VanDerWaalsContact CG1-O 3.23Å; I502-I545 WeakPolarHBondContact CG1-O 3.1Å; I502-I545 PolarHBondContact N-O 2.98Å; I502-I545 PolarHBondContact O-N 3.45Å; I502-V547 HydrophobicContact CD1-CG1 3.81Å; I502-V547 HydrophobicContact CG1-CG1 3.99Å; I502-V547 HydrophobicContact CG1-CG2 4.49Å; I502-V547 HydrophobicContact CG2-CG2 4.29Å
503	T	97.3	Very high	96.1	Very high	93 Å²	93	72 Å²	72	57%	0.571	38%	0.384	S	S	*	.			trans	-112	146.8	-179.3	56.4	0	0	0	0	111.8	F506 P544	T503-F506 WeakPolarHBondContact O-CE1 3.49Å; T503-P544 HydrophobicContact CG2-CB 4.38Å; T503-P544 HydrophobicContact CG2-CG 4.31Å
504	P	96.4	Very high	96.4	Very high	41 Å²	41	67.6 Å²	67.6	27%	0.266	36%	0.36	S	S	.	.	S	Bend	trans	-67.1	160.2	174.3	28.8	-34.6	0	0	0	111.7	F506 Q541	P504-F506 HydrophobicContact CB-CD2 4.09Å; P504-F506 HydrophobicContact CB-CE2 3.81Å; P504-F506 HydrophobicContact CB-CZ 4.16Å; P504-F506 HydrophobicContact CG-CE2 4.37Å; P504-F506 HydrophobicContact CG-CZ 4.47Å; P504-Q541 WeakPolarHBondContact CB-O 3.28Å; P504-Q541 WeakPolarHBondContact CG-O 3.39Å
505	P	97.2	Very high	96.6	Very high	123 Å²	123	62 Å²	62	80%	0.799	34%	0.336	S	S	*	.	S	Bend	cis	-77.1	130.8	1.6	31	-33.9	0	0	0	112.2
506	F	97	Very high	96.9	Very high	15 Å²	15	59.8 Å²	59.8	7%	0.066	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-80.8	138.3	177.4	-56.6	-60.5	0	0	0	111	I502 T503 P504 T510 I511 L540 Q541 I545	I502-F506 HydrophobicContact CB-CE1 3.89Å; I502-F506 HydrophobicContact CD1-CD1 3.88Å; I502-F506 HydrophobicContact CD1-CE1 3.63Å; I502-F506 HydrophobicContact CD1-CZ 4.49Å; I502-F506 HydrophobicContact CG1-CD1 4.31Å; I502-F506 HydrophobicContact CG1-CE1 3.59Å; I502-F506 HydrophobicContact CG1-CZ 4.31Å; T503-F506 WeakPolarHBondContact O-CE1 3.49Å; P504-F506 HydrophobicContact CB-CD2 4.09Å; P504-F506 HydrophobicContact CB-CE2 3.81Å; P504-F506 HydrophobicContact CB-CZ 4.16Å; P504-F506 HydrophobicContact CG-CE2 4.37Å; P504-F506 HydrophobicContact CG-CZ 4.47Å; F506-T510 HydrophobicContact CB-CG2 4.22Å; F506-T510 HydrophobicContact CD1-CG2 4.22Å; F506-T510 HydrophobicContact CG-CG2 4.49Å; F506-I511 HydrophobicContact CB-CD1 3.86Å; F506-I511 HydrophobicContact CB-CG1 4.08Å; F506-I511 HydrophobicContact CD2-CD1 4.32Å; F506-I511 HydrophobicContact CG-CD1 4.46Å; F506-L540 VanDerWaalsContact CE2-O 3.32Å; F506-L540 WeakPolarHBondContact CE2-O 3.47Å; F506-Q541 VanDerWaalsContact CD2-OE1 3.31Å; F506-Q541 PolarHBondContact O-NE2 3.23Å; F506-I545 HydrophobicContact CD2-CD1 4.08Å; F506-I545 HydrophobicContact CE2-CD1 3.47Å; F506-I545 VanDerWaalsContact CE2-CD1 3.47Å; F506-I545 HydrophobicContact CE2-CG1 3.81Å; F506-I545 HydrophobicContact CZ-CB 4.13Å; F506-I545 HydrophobicContact CZ-CD1 3.75Å; F506-I545 HydrophobicContact CZ-CG1 3.69Å
507	S	96.9	Very high	97.1	Very high	50 Å²	50	58.6 Å²	58.6	35%	0.35	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-69.2	158.8	175.2	82.3	0	0	0	0	111.6	E509 T510 I511	S507-E509 WeakPolarHBondContact CB-OE2 3.33Å; S507-E509 PolarHBondContact O-N 2.81Å; S507-E509 PolarHBondContact OG-N 2.81Å; S507-E509 PolarHBondContact OG-OE2 2.92Å; S507-T510 WeakPolarHBondContact O-CB 3.45Å; S507-T510 PolarHBondContact O-N 2.68Å; S507-T510 PolarHBondContact OG-N 3.23Å; S507-T510 PolarHBondContact OG-OG1 3.37Å; S507-T510 VanDerWaalsContact OG-OG1 3.11Å; S507-I511 PolarHBondContact O-N 3.43Å
508	S	96.6	Very high	97.1	Very high	88 Å²	88	56.7 Å²	56.7	62%	0.615	31%	0.308	S	S	*	.	H	α-helix	trans	-59.5	-33.1	176.8	-57.6	0	0	0	0	112.5	Y512	S508-Y512 VanDerWaalsContact O-CB 3.29Å; S508-Y512 WeakPolarHBondContact O-CB 3.06Å; S508-Y512 PolarHBondContact O-N 3Å
509	E	96.2	Very high	97.1	Very high	138 Å²	138	54.9 Å²	54.9	65%	0.645	30%	0.302	S	S	*	.	H	α-helix	trans	-64.5	-41.2	173.7	-56.7	77.2	-166.3	0	0	111.5	S507 Y512 A513	S507-E509 WeakPolarHBondContact CB-OE2 3.33Å; S507-E509 PolarHBondContact O-N 2.81Å; S507-E509 PolarHBondContact OG-N 2.81Å; S507-E509 PolarHBondContact OG-OE2 2.92Å; E509-Y512 PolarHBondContact O-N 2.86Å; E509-A513 PolarHBondContact O-N 2.87Å
510	T	97.2	Very high	97	Very high	35 Å²	35	56 Å²	56	22%	0.215	31%	0.308	C	S	.	.	H	α-helix	trans	-66.1	-47.1	177.5	-56.5	0	0	0	0	110.7	I502 F506 S507 Y512 A513 L514	I502-T510 HydrophobicContact CD1-CG2 3.74Å; F506-T510 HydrophobicContact CB-CG2 4.22Å; F506-T510 HydrophobicContact CD1-CG2 4.22Å; F506-T510 HydrophobicContact CG-CG2 4.49Å; S507-T510 WeakPolarHBondContact O-CB 3.45Å; S507-T510 PolarHBondContact O-N 2.68Å; S507-T510 PolarHBondContact OG-N 3.23Å; S507-T510 PolarHBondContact OG-OG1 3.37Å; S507-T510 VanDerWaalsContact OG-OG1 3.11Å; T510-Y512 VanDerWaalsContact C-N 3.31Å; T510-Y512 PolarHBondContact O-N 2.9Å; T510-A513 PolarHBondContact O-N 3.09Å; T510-L514 HydrophobicContact CG2-CD1 4.36Å; T510-L514 WeakPolarHBondContact O-CG 3.37Å; T510-L514 PolarHBondContact O-N 3.45Å
511	I	97.9	Very high	96.9	Very high	10 Å²	10	56.2 Å²	56.2	5%	0.051	30%	0.303	C	S	.	.	H	α-helix	trans	-60.3	-41.3	175.8	-65.5	-62	0	0	0	111.1	F506 S507 L514 K515 F535 E537	F506-I511 HydrophobicContact CB-CD1 3.86Å; F506-I511 HydrophobicContact CB-CG1 4.08Å; F506-I511 HydrophobicContact CD2-CD1 4.32Å; F506-I511 HydrophobicContact CG-CD1 4.46Å; S507-I511 PolarHBondContact O-N 3.43Å; I511-L514 HydrophobicContact CD1-CD1 4.44Å; I511-L514 PolarHBondContact O-N 2.99Å; I511-K515 WeakPolarHBondContact O-CB 3.46Å; I511-K515 PolarHBondContact O-N 3.18Å; I511-F535 HydrophobicContact CG2-CE1 4.42Å; I511-F535 HydrophobicContact CG2-CZ 4.28Å; I511-E537 HydrophobicContact CD1-CG 4.15Å; I511-E537 HydrophobicContact CG1-CG 4.11Å; I511-E537 HydrophobicContact CG2-CB 4.4Å; I511-E537 HydrophobicContact CG2-CG 3.96Å
512	Y	97.7	Very high	96.7	Very high	171 Å²	171	56 Å²	56	67%	0.671	30%	0.301	S	S	*	.	H	α-helix	trans	-62.7	-41.9	175.9	-178.8	-93.9	0	0	0	112.3	S508 E509 T510 K515 T516	S508-Y512 VanDerWaalsContact O-CB 3.29Å; S508-Y512 WeakPolarHBondContact O-CB 3.06Å; S508-Y512 PolarHBondContact O-N 3Å; E509-Y512 PolarHBondContact O-N 2.86Å; T510-Y512 VanDerWaalsContact C-N 3.31Å; T510-Y512 PolarHBondContact O-N 2.9Å; Y512-K515 PolarHBondContact O-N 3.22Å; Y512-T516 PolarHBondContact O-N 3.28Å; Y512-T516 PolarHBondContact O-OG1 3.27Å
513	A	97.3	Very high	96.3	Very high	31 Å²	31	57.9 Å²	57.9	26%	0.256	33%	0.327	S	S	.	.	H	α-helix	trans	-62.3	-46.2	175.1	0	0	0	0	0	111.7	E509 T510 K515 T516 V517 I555	E509-A513 PolarHBondContact O-N 2.87Å; T510-A513 PolarHBondContact O-N 3.09Å; A513-K515 VanDerWaalsContact C-N 3.33Å; A513-K515 PolarHBondContact O-N 2.83Å; A513-T516 WeakPolarHBondContact O-CB 3.41Å; A513-T516 PolarHBondContact O-N 3.33Å; A513-V517 PolarHBondContact O-N 2.93Å; A513-V517 VanDerWaalsContact O-N 3.15Å; A513-I555 HydrophobicContact CB-CD1 4.45Å
514	L	97.9	Very high	95.8	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-61.1	-41.5	175.2	-65	172.7	0	0	0	111.6	T510 I511 T516 V517 S518 F535 I545 V547 I555 F558	T510-L514 HydrophobicContact CG2-CD1 4.36Å; T510-L514 WeakPolarHBondContact O-CG 3.37Å; T510-L514 PolarHBondContact O-N 3.45Å; I511-L514 HydrophobicContact CD1-CD1 4.44Å; I511-L514 PolarHBondContact O-N 2.99Å; L514-T516 VanDerWaalsContact C-N 3.34Å; L514-T516 PolarHBondContact O-N 3.19Å; L514-V517 PolarHBondContact O-N 2.83Å; L514-S518 WeakPolarHBondContact O-CB 3.48Å; L514-S518 PolarHBondContact O-N 2.98Å; L514-F535 HydrophobicContact CB-CE2 4Å; L514-F535 HydrophobicContact CB-CZ 4.3Å; L514-I545 HydrophobicContact CD1-CD1 3.66Å; L514-I545 HydrophobicContact CD2-CG2 4.35Å; L514-V547 HydrophobicContact CD2-CG1 4.27Å; L514-I555 HydrophobicContact CD2-CD1 4.36Å; L514-I555 HydrophobicContact CD2-CG2 4.26Å; L514-F558 HydrophobicContact CB-CD1 4.47Å; L514-F558 HydrophobicContact CB-CE1 4.33Å; L514-F558 HydrophobicContact CD2-CB 3.63Å; L514-F558 HydrophobicContact CD2-CD1 3.66Å; L514-F558 HydrophobicContact CD2-CD2 4.15Å; L514-F558 HydrophobicContact CD2-CE1 4.32Å; L514-F558 HydrophobicContact CD2-CG 3.56Å; L514-F558 VanDerWaalsContact O-CE1 3.31Å; L514-F558 WeakPolarHBondContact O-CE1 3.39Å
515	K	97.2	Very high	95.4	Very high	77 Å²	77	62 Å²	62	34%	0.335	35%	0.351	S	S	.	.	H	α-helix	trans	-62.9	-40.6	177.2	-173.4	62.1	166	74.6	0	111.9	I511 Y512 A513 S518 D519 F535	I511-K515 WeakPolarHBondContact O-CB 3.46Å; I511-K515 PolarHBondContact O-N 3.18Å; Y512-K515 PolarHBondContact O-N 3.22Å; A513-K515 VanDerWaalsContact C-N 3.33Å; A513-K515 PolarHBondContact O-N 2.83Å; K515-S518 VanDerWaalsContact O-CB 3.3Å; K515-S518 WeakPolarHBondContact O-CB 3.49Å; K515-S518 PolarHBondContact O-N 3.22Å; K515-D519 IonicContact NZ-OD1 2.76Å; K515-D519 PolarHBondContact NZ-OD1 3.14Å; K515-D519 IonicContact NZ-OD2 2.8Å; K515-D519 PolarHBondContact NZ-OD2 2.62Å; K515-D519 WeakPolarHBondContact O-CB 3.24Å; K515-D519 VanDerWaalsContact O-CG 3.24Å; K515-D519 PolarHBondContact O-N 3.35Å; K515-F535 HydrophobicContact CB-CE1 4.19Å; K515-F535 HydrophobicContact CB-CE2 4.19Å; K515-F535 HydrophobicContact CB-CZ 3.74Å; K515-F535 HydrophobicContact CD-CD1 3.64Å; K515-F535 HydrophobicContact CD-CD2 4.21Å; K515-F535 HydrophobicContact CD-CE1 3.62Å; K515-F535 HydrophobicContact CD-CE2 4.17Å; K515-F535 HydrophobicContact CD-CG 3.95Å; K515-F535 HydrophobicContact CD-CZ 3.89Å; K515-F535 HydrophobicContact CG-CE1 4.42Å; K515-F535 HydrophobicContact CG-CZ 4.42Å
516	T	97	Very high	94.9	Very high	43 Å²	43	62.2 Å²	62.2	26%	0.264	34%	0.339	S	S	.	.	H	α-helix	trans	-60.8	-52.4	177.6	-57.2	0	0	0	0	110.8	Y512 A513 L514 S518 D519 E520	Y512-T516 PolarHBondContact O-N 3.28Å; Y512-T516 PolarHBondContact O-OG1 3.27Å; A513-T516 WeakPolarHBondContact O-CB 3.41Å; A513-T516 PolarHBondContact O-N 3.33Å; L514-T516 VanDerWaalsContact C-N 3.34Å; L514-T516 PolarHBondContact O-N 3.19Å; T516-S518 VanDerWaalsContact C-N 3.26Å; T516-S518 PolarHBondContact O-N 3.03Å; T516-D519 PolarHBondContact O-N 2.86Å; T516-D519 VanDerWaalsContact O-N 3.17Å; T516-E520 WeakPolarHBondContact O-CG 3.33Å; T516-E520 PolarHBondContact O-N 3.15Å
517	V	97.4	Very high	94.5	Very high	4 Å²	4	62.3 Å²	62.3	2%	0.024	34%	0.34	C	S	.	.	H	α-helix	trans	-57.4	-42.3	175.3	173.5	0	0	0	0	111.3	A513 L514 W521 I555 F558 R576	A513-V517 PolarHBondContact O-N 2.93Å; A513-V517 VanDerWaalsContact O-N 3.15Å; L514-V517 PolarHBondContact O-N 2.83Å; V517-W521 VanDerWaalsContact O-CB 3.28Å; V517-W521 WeakPolarHBondContact O-CB 3.47Å; V517-W521 PolarHBondContact O-N 3.47Å; V517-I555 HydrophobicContact CG2-CG2 4.47Å; V517-I555 VanDerWaalsContact CG2-O 3.29Å; V517-I555 WeakPolarHBondContact CG2-O 3.41Å; V517-F558 HydrophobicContact CB-CD1 4.27Å; V517-F558 HydrophobicContact CB-CE1 4.29Å; V517-F558 HydrophobicContact CG1-CD1 3.96Å; V517-F558 HydrophobicContact CG1-CE1 4.16Å; V517-R576 HydrophobicContact CG1-CB 4.5Å
518	S	96.3	Very high	94.1	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60	-45.7	177.4	153.4	0	0	0	0	112.6	L514 K515 T516 W521 L522 R576	L514-S518 WeakPolarHBondContact O-CB 3.48Å; L514-S518 PolarHBondContact O-N 2.98Å; K515-S518 VanDerWaalsContact O-CB 3.3Å; K515-S518 WeakPolarHBondContact O-CB 3.49Å; K515-S518 PolarHBondContact O-N 3.22Å; T516-S518 VanDerWaalsContact C-N 3.26Å; T516-S518 PolarHBondContact O-N 3.03Å; S518-W521 PolarHBondContact O-N 3.48Å; S518-L522 WeakPolarHBondContact O-CG 3.18Å; S518-L522 PolarHBondContact O-N 3.48Å; S518-R576 PolarHBondContact OG-NH1 2.8Å
519	D	95.8	Very high	93.7	Very high	72 Å²	72	58 Å²	58	39%	0.385	31%	0.305	S	S	.	.	H	α-helix	trans	-71.8	-40.5	-176.8	-71.9	-14.6	0	0	0	112.3	K515 T516 W521 L522 G523	K515-D519 IonicContact NZ-OD1 2.76Å; K515-D519 PolarHBondContact NZ-OD1 3.14Å; K515-D519 IonicContact NZ-OD2 2.8Å; K515-D519 PolarHBondContact NZ-OD2 2.62Å; K515-D519 WeakPolarHBondContact O-CB 3.24Å; K515-D519 VanDerWaalsContact O-CG 3.24Å; K515-D519 PolarHBondContact O-N 3.35Å; T516-D519 PolarHBondContact O-N 2.86Å; T516-D519 VanDerWaalsContact O-N 3.17Å; D519-W521 VanDerWaalsContact C-N 3.34Å; D519-L522 PolarHBondContact O-N 3.11Å; D519-G523 PolarHBondContact O-N 2.98Å
520	E	95.9	Very high	93.5	Very high	67 Å²	67	51.7 Å²	51.7	31%	0.313	28%	0.275	S	S	.	.	H	α-helix	trans	-58.7	-46.6	171	-70.4	174.6	-168.7	0	0	111	T516 L522 G523 S578	T516-E520 WeakPolarHBondContact O-CG 3.33Å; T516-E520 PolarHBondContact O-N 3.15Å; E520-L522 PolarHBondContact O-N 3.13Å; E520-G523 PolarHBondContact O-N 3.47Å; E520-S578 WeakPolarHBondContact OE2-CB 3.3Å; E520-S578 PolarHBondContact OE2-OG 3.17Å
521	W	95	Very high	93.1	Very high	78 Å²	78	50.7 Å²	50.7	30%	0.295	27%	0.27	S	S	.	.	H	α-helix	trans	-62.8	-39.8	177.5	-178.3	84.8	0	0	0	112.5	V517 S518 D519 G523 R525 R576 H577	V517-W521 VanDerWaalsContact O-CB 3.28Å; V517-W521 WeakPolarHBondContact O-CB 3.47Å; V517-W521 PolarHBondContact O-N 3.47Å; S518-W521 PolarHBondContact O-N 3.48Å; D519-W521 VanDerWaalsContact C-N 3.34Å; W521-G523 VanDerWaalsContact C-N 3.3Å; W521-G523 PolarHBondContact O-N 3.31Å; W521-R525 PolarHBondContact O-NH2 2.93Å; W521-R576 HydrophobicContact CB-CB 4.12Å; W521-R576 HydrophobicContact CD2-CB 4.27Å; W521-R576 HydrophobicContact CD2-CG 4.04Å; W521-R576 HydrophobicContact CE3-CG 4.06Å; W521-R576 HydrophobicContact CG-CB 3.99Å; W521-R576 HydrophobicContact CG-CG 4.29Å; W521-H577 WeakPolarHBondContact CB-O 3.35Å; W521-H577 AromaticContact CD1-CE1 3.9Å; W521-H577 AromaticContact CD1-ND1 3.78Å; W521-H577 AromaticContact NE1-CE1 3.87Å; W521-H577 AromaticContact NE1-ND1 3.9Å
522	L	92	Very high	92.7	Very high	15 Å²	15	53 Å²	53	8%	0.079	28%	0.282	C	S	.	.	H	α-helix	trans	-64.3	-36.7	176.9	-78	170.2	0	0	0	111.3	S518 D519 E520 G524 R525 E527	S518-L522 WeakPolarHBondContact O-CG 3.18Å; S518-L522 PolarHBondContact O-N 3.48Å; D519-L522 PolarHBondContact O-N 3.11Å; E520-L522 PolarHBondContact O-N 3.13Å; L522-G524 PolarHBondContact O-N 3.06Å; L522-R525 HydrophobicContact CD2-CB 4.5Å; L522-R525 WeakPolarHBondContact O-CB 3.46Å; L522-R525 VanDerWaalsContact O-CG 3.25Å; L522-R525 WeakPolarHBondContact O-CG 3.48Å; L522-R525 PolarHBondContact O-N 3.4Å; L522-R525 PolarHBondContact O-NE 3.36Å; L522-E527 HydrophobicContact CD1-CG 4.03Å; L522-E527 HydrophobicContact CD2-CG 4.49Å
523	G	91.1	Very high	92.4	Very high	65 Å²	65	45.2 Å²	45.2	67%	0.67	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	35.9	176.5	0	0	0	0	0	113	D519 E520 W521	D519-G523 PolarHBondContact O-N 2.98Å; E520-G523 PolarHBondContact O-N 3.47Å; W521-G523 VanDerWaalsContact C-N 3.3Å; W521-G523 PolarHBondContact O-N 3.31Å
524	G	86.3	Confident	92.3	Very high	77 Å²	77	44.7 Å²	44.7	79%	0.794	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.5	-1.8	-176.7	0	0	0	0	0	115.7	L522	L522-G524 PolarHBondContact O-N 3.06Å
525	R	87.4	Confident	92.2	Very high	143 Å²	143	46.2 Å²	46.2	54%	0.54	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-67.7	149.7	169.6	-63.8	176.7	-69.6	167.2	1.9	110.3	W521 L522	W521-R525 PolarHBondContact O-NH2 2.93Å; L522-R525 HydrophobicContact CD2-CB 4.5Å; L522-R525 WeakPolarHBondContact O-CB 3.46Å; L522-R525 VanDerWaalsContact O-CG 3.25Å; L522-R525 WeakPolarHBondContact O-CG 3.48Å; L522-R525 PolarHBondContact O-N 3.4Å; L522-R525 PolarHBondContact O-NE 3.36Å
526	K	86.2	Confident	92.1	Very high	128 Å²	128	44 Å²	44	56%	0.557	25%	0.246	S	C	*	.	P	Polyproline II helix	trans	-86.3	143.6	173.5	-65.3	-170.7	178.2	-172.1	0	110.7	P684	K526-P684 HydrophobicContact CB-CB 4Å; K526-P684 HydrophobicContact CD-CB 3.82Å; K526-P684 HydrophobicContact CD-CG 4.43Å
527	E	89.6	Confident	92	Very high	16 Å²	16	46.5 Å²	46.5	8%	0.075	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-63.9	141.8	170	-64.4	-81.4	-150.8	0	0	110.9	L522 F534 F535 R576 P684 V685	L522-E527 HydrophobicContact CD1-CG 4.03Å; L522-E527 HydrophobicContact CD2-CG 4.49Å; E527-F534 HydrophobicContact CB-CB 3.89Å; E527-F534 HydrophobicContact CG-CB 4.22Å; E527-F535 PolarHBondContact OE1-N 3.26Å; E527-R576 IonicContact OE1-CZ 2.83Å; E527-R576 IonicContact OE1-NH1 3.04Å; E527-R576 PolarHBondContact OE1-NH1 2.76Å; E527-R576 IonicContact OE1-NH2 3.62Å; E527-R576 PolarHBondContact OE1-NH2 2.71Å; E527-R576 IonicContact OE2-CZ 2.71Å; E527-R576 IonicContact OE2-NH1 3.72Å; E527-R576 IonicContact OE2-NH2 3.48Å; E527-R576 PolarHBondContact OE2-NH2 3.4Å; E527-P684 VanDerWaalsContact O-CA 3.27Å; E527-P684 WeakPolarHBondContact O-CA 3.19Å; E527-V685 HydrophobicContact CB-CG2 4.31Å; E527-V685 PolarHBondContact O-N 2.83Å; E527-V685 VanDerWaalsContact O-N 3.13Å
528	K	87.3	Confident	91.9	Very high	43 Å²	43	49.8 Å²	49.8	19%	0.187	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-102.8	169.2	171.2	-62.5	178.4	-176	-178	0	109.2	L532 N682 V685	K528-L532 HydrophobicContact CB-CD1 4.01Å; K528-L532 HydrophobicContact CD-CD1 4.03Å; K528-N682 WeakPolarHBondContact CE-OD1 3.37Å; K528-N682 PolarHBondContact NZ-OD1 3.3Å; K528-V685 VanDerWaalsContact C-CG2 3.43Å; K528-V685 VanDerWaalsContact O-CG2 3.23Å; K528-V685 WeakPolarHBondContact O-CG2 3.3Å
529	G	89.5	Confident	91.9	Very high	4 Å²	4	49.9 Å²	49.9	4%	0.041	27%	0.273	C	S	.	.			trans	-138	-149.3	178.6	0	0	0	0	0	111.3	S531 L532	G529-S531 PolarHBondContact O-N 3.44Å; G529-L532 CarbonylContact C-O 3.09Å; G529-L532 WeakPolarHBondContact CA-O 3.17Å; G529-L532 PolarHBondContact O-N 2.84Å
530	F	91	Very high	91.9	Very high	7 Å²	7	46.6 Å²	46.6	3%	0.031	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	-88.5	-178.5	-174.8	-121.9	0	0	0	112.9	D385 K386 L411 M413 Y444 T680	D385-F530 PolarHBondContact OD2-N 2.92Å; K386-F530 HydrophobicContact CD-CD2 3.98Å; K386-F530 HydrophobicContact CD-CE2 4.37Å; K386-F530 HydrophobicContact CG-CD2 4.07Å; K386-F530 PolarHBondContact NZ-O 3.32Å; K386-F530 VanDerWaalsContact NZ-O 3.09Å; L411-F530 HydrophobicContact CB-CE1 4.31Å; L411-F530 HydrophobicContact CB-CE2 4.29Å; L411-F530 HydrophobicContact CB-CZ 3.6Å; L411-F530 HydrophobicContact CD1-CE1 4.46Å; L411-F530 HydrophobicContact CD1-CZ 4.43Å; M413-F530 HydrophobicContact CB-CE2 3.94Å; M413-F530 HydrophobicContact CB-CZ 3.9Å; M413-F530 HydrophobicContact CG-CZ 4.45Å; Y444-F530 AromaticContact CD1-CE1 3.7Å; Y444-F530 HydrophobicContact CD1-CE1 3.7Å; Y444-F530 HydrophobicContact CD1-CZ 4.39Å; Y444-F530 HydrophobicContact CE1-CE1 4.18Å; F530-T680 HydrophobicContact CB-CG2 4.06Å; F530-T680 HydrophobicContact CD1-CG2 3.76Å; F530-T680 HydrophobicContact CD2-CG2 4.02Å; F530-T680 HydrophobicContact CE1-CG2 4.17Å; F530-T680 HydrophobicContact CE2-CG2 4.43Å; F530-T680 HydrophobicContact CG-CG2 3.67Å
531	S	89.3	Confident	92	Very high	14 Å²	14	45.9 Å²	45.9	10%	0.098	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-14.5	177.3	78.1	0	0	0	0	113.6	L380 G529 D681	L380-S531 WeakPolarHBondContact CD1-O 3.41Å; G529-S531 PolarHBondContact O-N 3.44Å; S531-D681 WeakPolarHBondContact CB-OD1 3.19Å; S531-D681 PolarHBondContact OG-OD1 3.13Å
532	L	88.7	Confident	92	Very high	58 Å²	58	45.4 Å²	45.4	30%	0.304	25%	0.25	S	C	.	.	S	Bend	trans	-110.8	142.7	-177.1	-61.2	174.3	0	0	0	110.7	K528 G529 Y641	K528-L532 HydrophobicContact CB-CD1 4.01Å; K528-L532 HydrophobicContact CD-CD1 4.03Å; G529-L532 CarbonylContact C-O 3.09Å; G529-L532 WeakPolarHBondContact CA-O 3.17Å; G529-L532 PolarHBondContact O-N 2.84Å; L532-Y641 WeakPolarHBondContact CD1-OH 3.46Å
533	G	91.9	Very high	92.2	Very high	7 Å²	7	44.9 Å²	44.9	7%	0.072	25%	0.248	C	C	.	.			trans	-72.4	157	168.5	0	0	0	0	0	114.1	D573 L574	G533-D573 VanDerWaalsContact CA-OD1 3.31Å; G533-D573 WeakPolarHBondContact CA-OD1 3.48Å; G533-D573 VanDerWaalsContact CA-OD2 3.31Å; G533-D573 WeakPolarHBondContact CA-OD2 3.42Å; G533-D573 PolarHBondContact N-OD1 2.78Å; G533-L574 VanDerWaalsContact C-CD2 3.5Å; G533-L574 WeakPolarHBondContact O-CD2 3.48Å
534	F	94.5	Very high	92.5	Very high	21 Å²	21	43.8 Å²	43.8	9%	0.092	23%	0.229	C	C	.	.			trans	-136.7	160.3	172.6	55.3	-93.7	0	0	0	110.6	L383 D385 E527 S536 V685	L383-F534 HydrophobicContact CB-CE1 3.74Å; L383-F534 HydrophobicContact CB-CZ 3.76Å; L383-F534 HydrophobicContact CD1-CD1 4.16Å; L383-F534 HydrophobicContact CD1-CE1 4.06Å; L383-F534 HydrophobicContact CD2-CD1 4.08Å; L383-F534 HydrophobicContact CD2-CD2 4.12Å; L383-F534 HydrophobicContact CD2-CE1 3.9Å; L383-F534 HydrophobicContact CD2-CE2 3.91Å; L383-F534 HydrophobicContact CD2-CG 4.21Å; L383-F534 HydrophobicContact CD2-CZ 3.81Å; L383-F534 HydrophobicContact CG-CE1 4.11Å; L383-F534 HydrophobicContact CG-CZ 4.28Å; L383-F534 WeakPolarHBondContact O-CZ 3.35Å; D385-F534 HydrophobicContact CB-CE1 4.14Å; D385-F534 HydrophobicContact CB-CZ 4.39Å; E527-F534 HydrophobicContact CB-CB 3.89Å; E527-F534 HydrophobicContact CG-CB 4.22Å; F534-S536 PolarHBondContact O-N 3.36Å; F534-V685 HydrophobicContact CB-CG2 4.19Å; F534-V685 HydrophobicContact CD1-CG1 4.25Å; F534-V685 HydrophobicContact CD1-CG2 3.52Å; F534-V685 HydrophobicContact CD2-CG1 4.12Å; F534-V685 HydrophobicContact CD2-CG2 4.47Å; F534-V685 HydrophobicContact CE1-CG1 4.02Å; F534-V685 HydrophobicContact CE1-CG2 3.89Å; F534-V685 HydrophobicContact CE2-CG1 3.89Å; F534-V685 HydrophobicContact CG-CG1 4.28Å; F534-V685 HydrophobicContact CG-CG2 3.82Å; F534-V685 HydrophobicContact CZ-CG1 3.83Å
535	F	96	Very high	93.1	Very high	31 Å²	31	40.1 Å²	40.1	14%	0.136	19%	0.191	C	C	.	.			trans	-64	110.5	178.7	-165.3	-73.8	0	0	0	110.8	I511 L514 K515 E527 L540 F558	I511-F535 HydrophobicContact CG2-CE1 4.42Å; I511-F535 HydrophobicContact CG2-CZ 4.28Å; L514-F535 HydrophobicContact CB-CE2 4Å; L514-F535 HydrophobicContact CB-CZ 4.3Å; K515-F535 HydrophobicContact CB-CE1 4.19Å; K515-F535 HydrophobicContact CB-CE2 4.19Å; K515-F535 HydrophobicContact CB-CZ 3.74Å; K515-F535 HydrophobicContact CD-CD1 3.64Å; K515-F535 HydrophobicContact CD-CD2 4.21Å; K515-F535 HydrophobicContact CD-CE1 3.62Å; K515-F535 HydrophobicContact CD-CE2 4.17Å; K515-F535 HydrophobicContact CD-CG 3.95Å; K515-F535 HydrophobicContact CD-CZ 3.89Å; K515-F535 HydrophobicContact CG-CE1 4.42Å; K515-F535 HydrophobicContact CG-CZ 4.42Å; E527-F535 PolarHBondContact OE1-N 3.26Å; F535-L540 HydrophobicContact CD1-CD1 4.39Å; F535-L540 HydrophobicContact CD2-CD1 3.82Å; F535-L540 HydrophobicContact CE1-CD1 4.05Å; F535-L540 HydrophobicContact CE2-CD1 3.46Å; F535-L540 VanDerWaalsContact CE2-CD1 3.46Å; F535-L540 HydrophobicContact CG-CD1 4.28Å; F535-L540 HydrophobicContact CZ-CD1 3.59Å; F535-F558 HydrophobicContact CD2-CZ 4.33Å; F535-F558 HydrophobicContact CE2-CZ 4.36Å
536	S	95.4	Very high	93.6	Very high	30 Å²	30	33.3 Å²	33.3	21%	0.21	17%	0.165	C	C	.	.			trans	-135.7	125	171.6	167.9	0	0	0	0	108	F534 D538 Y539 L540	F534-S536 PolarHBondContact O-N 3.36Å; S536-D538 VanDerWaalsContact C-N 3.34Å; S536-D538 PolarHBondContact O-N 2.96Å; S536-Y539 WeakPolarHBondContact O-CB 3.39Å; S536-Y539 PolarHBondContact O-N 2.96Å; S536-Y539 VanDerWaalsContact O-N 3.16Å; S536-L540 WeakPolarHBondContact O-CG 3.4Å; S536-L540 PolarHBondContact O-N 2.92Å
537	E	95.7	Very high	94.2	Very high	97 Å²	97	27.2 Å²	27.2	45%	0.453	14%	0.139	S	C	.	.	H	α-helix	trans	-59.9	-45.4	-180	-177.4	174	171.3	0	0	111.3	I511 Y539 L540 Q541	I511-E537 HydrophobicContact CD1-CG 4.15Å; I511-E537 HydrophobicContact CG1-CG 4.11Å; I511-E537 HydrophobicContact CG2-CB 4.4Å; I511-E537 HydrophobicContact CG2-CG 3.96Å; E537-Y539 PolarHBondContact O-N 3.36Å; E537-L540 PolarHBondContact O-N 3.24Å; E537-Q541 HydrophobicContact CG-CG 4.32Å; E537-Q541 WeakPolarHBondContact O-CG 3.19Å; E537-Q541 PolarHBondContact O-N 3.46Å
538	D	94.4	Very high	94.6	Very high	72 Å²	72	26.5 Å²	26.5	39%	0.385	14%	0.135	S	C	.	.	H	α-helix	trans	-59.5	-32.5	176.7	-175	70.1	0	0	0	112.9	K384 S536 R542	K384-D538 WeakPolarHBondContact CE-OD2 3.24Å; K384-D538 IonicContact NZ-OD2 3.31Å; K384-D538 PolarHBondContact NZ-OD2 3.21Å; S536-D538 VanDerWaalsContact C-N 3.34Å; S536-D538 PolarHBondContact O-N 2.96Å; D538-R542 WeakPolarHBondContact O-CG 3.27Å; D538-R542 PolarHBondContact O-NE 2.71Å; D538-R542 IonicContact OD1-NH2 3.65Å; D538-R542 IonicContact OD2-CZ 3.4Å; D538-R542 IonicContact OD2-NE 2.71Å; D538-R542 IonicContact OD2-NH2 3.16Å; D538-R542 PolarHBondContact OD2-NH2 2.95Å
539	Y	96.2	Very high	95	Very high	3 Å²	3	26.6 Å²	26.6	1%	0.012	14%	0.135	C	C	.	.	H	α-helix	trans	-75.6	-45.7	176.6	177.6	-104.9	0	0	0	111.5	Q379 F382 L383 S536 E537 Q541 R542 N560 D573	Q379-Y539 HydrophobicContact CG-CE2 3.81Å; Q379-Y539 WeakPolarHBondContact O-CE2 3.15Å; F382-Y539 HydrophobicContact CB-CD2 4.19Å; L383-Y539 HydrophobicContact CD1-CE2 4.49Å; L383-Y539 HydrophobicContact CD2-CD1 3.87Å; L383-Y539 HydrophobicContact CD2-CD2 3.77Å; L383-Y539 HydrophobicContact CD2-CE1 4.42Å; L383-Y539 HydrophobicContact CD2-CE2 4.31Å; L383-Y539 HydrophobicContact CD2-CG 3.53Å; L383-Y539 HydrophobicContact CG-CD2 3.78Å; L383-Y539 HydrophobicContact CG-CE2 4.01Å; L383-Y539 HydrophobicContact CG-CG 4.09Å; S536-Y539 WeakPolarHBondContact O-CB 3.39Å; S536-Y539 PolarHBondContact O-N 2.96Å; S536-Y539 VanDerWaalsContact O-N 3.16Å; E537-Y539 PolarHBondContact O-N 3.36Å; Y539-Q541 VanDerWaalsContact C-N 3.27Å; Y539-Q541 PolarHBondContact O-N 3.28Å; Y539-R542 WeakPolarHBondContact O-CB 3.31Å; Y539-R542 PolarHBondContact O-N 3.2Å; Y539-N560 WeakPolarHBondContact CE1-ND2 3.42Å; Y539-D573 WeakPolarHBondContact CE1-OD2 3.34Å; Y539-D573 PolarHBondContact OH-OD2 2.79Å
540	L	97.2	Very high	95.3	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-64.9	-30.6	180	-71.2	179.8	0	0	0	112.5	F506 F535 S536 E537 R542 I545 N560 L574	F506-L540 VanDerWaalsContact CE2-O 3.32Å; F506-L540 WeakPolarHBondContact CE2-O 3.47Å; F535-L540 HydrophobicContact CD1-CD1 4.39Å; F535-L540 HydrophobicContact CD2-CD1 3.82Å; F535-L540 HydrophobicContact CE1-CD1 4.05Å; F535-L540 HydrophobicContact CE2-CD1 3.46Å; F535-L540 VanDerWaalsContact CE2-CD1 3.46Å; F535-L540 HydrophobicContact CG-CD1 4.28Å; F535-L540 HydrophobicContact CZ-CD1 3.59Å; S536-L540 WeakPolarHBondContact O-CG 3.4Å; S536-L540 PolarHBondContact O-N 2.92Å; E537-L540 PolarHBondContact O-N 3.24Å; L540-R542 PolarHBondContact O-N 3.16Å; L540-R542 VanDerWaalsContact O-N 3.13Å; L540-I545 HydrophobicContact CB-CD1 4.22Å; L540-I545 HydrophobicContact CD2-CD1 4.14Å; L540-N560 HydrophobicContact CD2-CB 3.7Å; L540-L574 HydrophobicContact CD2-CD1 4.23Å
541	Q	97	Very high	95.3	Very high	52 Å²	52	31.2 Å²	31.2	24%	0.243	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-3.4	177.5	-69.4	-74.2	21.2	0	0	114.5	P504 F506 E537 Y539	P504-Q541 WeakPolarHBondContact CB-O 3.28Å; P504-Q541 WeakPolarHBondContact CG-O 3.39Å; F506-Q541 VanDerWaalsContact CD2-OE1 3.31Å; F506-Q541 PolarHBondContact O-NE2 3.23Å; E537-Q541 HydrophobicContact CG-CG 4.32Å; E537-Q541 WeakPolarHBondContact O-CG 3.19Å; E537-Q541 PolarHBondContact O-N 3.46Å; Y539-Q541 VanDerWaalsContact C-N 3.27Å; Y539-Q541 PolarHBondContact O-N 3.28Å
542	R	95	Very high	95.4	Very high	69 Å²	69	36.8 Å²	36.8	26%	0.26	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-17.2	-175	-65.9	178.5	-173	-95.2	-7.2	114.8	E362 D538 Y539 L540	E362-R542 IonicContact OE1-NH2 3.77Å; E362-R542 PolarHBondContact OE1-NH2 3.47Å; E362-R542 VanDerWaalsContact OE1-NH2 3.12Å; E362-R542 IonicContact OE2-CZ 3.25Å; E362-R542 VanDerWaalsContact OE2-CZ 3.29Å; E362-R542 IonicContact OE2-NH1 3.74Å; E362-R542 PolarHBondContact OE2-NH1 2.96Å; E362-R542 IonicContact OE2-NH2 3.94Å; E362-R542 PolarHBondContact OE2-NH2 3.38Å; D538-R542 WeakPolarHBondContact O-CG 3.27Å; D538-R542 PolarHBondContact O-NE 2.71Å; D538-R542 IonicContact OD1-NH2 3.65Å; D538-R542 IonicContact OD2-CZ 3.4Å; D538-R542 IonicContact OD2-NE 2.71Å; D538-R542 IonicContact OD2-NH2 3.16Å; D538-R542 PolarHBondContact OD2-NH2 2.95Å; Y539-R542 WeakPolarHBondContact O-CB 3.31Å; Y539-R542 PolarHBondContact O-N 3.2Å; L540-R542 PolarHBondContact O-N 3.16Å; L540-R542 VanDerWaalsContact O-N 3.13Å
543	A	96.1	Very high	95.6	Very high	4 Å²	4	39 Å²	39	3%	0.033	20%	0.203	C	C	.	.	S	Bend	trans	-146.3	159.2	-172.4	0	0	0	0	0	111.9	F561 P563	A543-F561 HydrophobicContact CB-CB 4.35Å; A543-F561 VanDerWaalsContact CB-O 3.26Å; A543-F561 WeakPolarHBondContact CB-O 3.36Å; A543-P563 HydrophobicContact CB-CG 3.82Å
544	P	97.9	Very high	95.7	Very high	42 Å²	42	43 Å²	43	27%	0.273	22%	0.219	S	C	.	.			trans	-57.7	154.1	171.7	-23.3	34.2	0	0	0	112.7	V501 I502 T503 F561	V501-P544 HydrophobicContact CG1-CB 3.79Å; I502-P544 CarbonylContact O-C 3.58Å; I502-P544 VanDerWaalsContact O-CA 3.32Å; I502-P544 WeakPolarHBondContact O-CA 3.3Å; T503-P544 HydrophobicContact CG2-CB 4.38Å; T503-P544 HydrophobicContact CG2-CG 4.31Å; P544-F561 HydrophobicContact CB-CG 4.34Å; P544-F561 WeakPolarHBondContact O-CB 3.47Å; P544-F561 WeakPolarHBondContact O-CD1 3.37Å; P544-F561 PolarHBondContact O-N 3.14Å
545	I	98.5	Very high	95.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	121.5	177.8	-58.9	178.2	0	0	0	108	I502 F506 L514 L540 V547 F558 N560	I502-I545 HydrophobicContact CD1-CB 4.41Å; I502-I545 HydrophobicContact CG1-CB 4.05Å; I502-I545 VanDerWaalsContact CG1-O 3.23Å; I502-I545 WeakPolarHBondContact CG1-O 3.1Å; I502-I545 PolarHBondContact N-O 2.98Å; I502-I545 PolarHBondContact O-N 3.45Å; F506-I545 HydrophobicContact CD2-CD1 4.08Å; F506-I545 HydrophobicContact CE2-CD1 3.47Å; F506-I545 VanDerWaalsContact CE2-CD1 3.47Å; F506-I545 HydrophobicContact CE2-CG1 3.81Å; F506-I545 HydrophobicContact CZ-CB 4.13Å; F506-I545 HydrophobicContact CZ-CD1 3.75Å; F506-I545 HydrophobicContact CZ-CG1 3.69Å; L514-I545 HydrophobicContact CD1-CD1 3.66Å; L514-I545 HydrophobicContact CD2-CG2 4.35Å; L540-I545 HydrophobicContact CB-CD1 4.22Å; L540-I545 HydrophobicContact CD2-CD1 4.14Å; I545-V547 HydrophobicContact CG2-CG1 3.97Å; I545-F558 HydrophobicContact CG2-CB 3.87Å; I545-F558 HydrophobicContact CG2-CD2 4.08Å; I545-F558 HydrophobicContact CG2-CG 4.39Å; I545-N560 HydrophobicContact CD1-CB 4.45Å; I545-N560 HydrophobicContact CG1-CB 3.9Å
546	A	98.4	Very high	95.9	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	132.3	165.3	0	0	0	0	0	109	F499 D500 V501 F558 A559 F561 L590 L594	F499-A546 HydrophobicContact CE2-CB 3.54Å; F499-A546 HydrophobicContact CZ-CB 3.93Å; D500-A546 CarbonylContact O-C 3.57Å; D500-A546 WeakPolarHBondContact O-CA 3.39Å; V501-A546 HydrophobicContact CG2-CB 4.46Å; A546-F558 CarbonylContact O-C 3.58Å; A546-F558 WeakPolarHBondContact O-CA 3.41Å; A546-F558 WeakPolarHBondContact O-CB 3.31Å; A546-A559 PolarHBondContact N-O 3.02Å; A546-A559 PolarHBondContact O-N 3.13Å; A546-F561 HydrophobicContact CB-CE1 3.84Å; A546-L590 HydrophobicContact CB-CD1 4.07Å; A546-L594 HydrophobicContact CB-CD2 3.69Å; A546-L594 HydrophobicContact CB-CG 4.37Å
547	V	98.1	Very high	96.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	149	177.5	-63.4	0	0	0	0	110.3	D500 I502 L514 I545 R549 I555 A557 F558	D500-V547 HydrophobicContact CB-CG2 3.98Å; D500-V547 PolarHBondContact N-O 2.9Å; D500-V547 PolarHBondContact O-N 3.41Å; I502-V547 HydrophobicContact CD1-CG1 3.81Å; I502-V547 HydrophobicContact CG1-CG1 3.99Å; I502-V547 HydrophobicContact CG1-CG2 4.49Å; I502-V547 HydrophobicContact CG2-CG2 4.29Å; L514-V547 HydrophobicContact CD2-CG1 4.27Å; I545-V547 HydrophobicContact CG2-CG1 3.97Å; V547-R549 HydrophobicContact CG2-CG 4.45Å; V547-I555 HydrophobicContact CB-CG1 4.31Å; V547-I555 HydrophobicContact CB-CG2 4.13Å; V547-I555 HydrophobicContact CG1-CD1 4.08Å; V547-I555 HydrophobicContact CG1-CG1 4.4Å; V547-I555 HydrophobicContact CG1-CG2 4.12Å; V547-A557 CarbonylContact C-O 3.34Å; V547-A557 WeakPolarHBondContact CA-O 3.18Å; V547-F558 HydrophobicContact CG1-CB 4.11Å
548	I	97.6	Very high	96.2	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	126.7	166.7	-63.7	170.6	0	0	0	107.5	Y497 Q498 I555 V556 A557 T586 F589 L590	Y497-I548 HydrophobicContact CD1-CG2 4.06Å; Q498-I548 CarbonylContact O-C 3.58Å; Q498-I548 VanDerWaalsContact O-CA 3.27Å; Q498-I548 WeakPolarHBondContact O-CA 3.31Å; I548-I555 WeakPolarHBondContact O-CA 3.17Å; I548-V556 HydrophobicContact CB-CG2 4.28Å; I548-V556 HydrophobicContact CG2-CG2 3.88Å; I548-V556 WeakPolarHBondContact O-CG2 3.31Å; I548-V556 PolarHBondContact O-N 2.86Å; I548-A557 HydrophobicContact CB-CB 4.17Å; I548-A557 HydrophobicContact CD1-CB 4.24Å; I548-A557 PolarHBondContact N-O 3.2Å; I548-A557 PolarHBondContact O-N 3.49Å; I548-T586 HydrophobicContact CD1-CG2 3.58Å; I548-F589 HydrophobicContact CD1-CD1 3.76Å; I548-F589 HydrophobicContact CD1-CE1 4.45Å; I548-F589 HydrophobicContact CG1-CD1 4.19Å; I548-F589 HydrophobicContact CG1-CE1 4.4Å; I548-L590 HydrophobicContact CD1-CB 3.83Å; I548-L590 HydrophobicContact CD1-CD1 4.15Å; I548-L590 HydrophobicContact CD1-CG 4.48Å; I548-L590 HydrophobicContact CG1-CD1 4.32Å
549	R	97.1	Very high	96.3	Very high	46 Å²	46	31.6 Å²	31.6	17%	0.174	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	145.2	176.8	-61.7	179	-171.5	-85.9	-0.5	110.5	Y497 Q498 V547 E553 K554 I555	Y497-R549 CarbonylContact C-O 3.6Å; Y497-R549 VanDerWaalsContact CA-O 3.22Å; Y497-R549 WeakPolarHBondContact CA-O 3.19Å; Y497-R549 WeakPolarHBondContact CD1-O 3.46Å; Q498-R549 PolarHBondContact N-O 2.96Å; Q498-R549 PolarHBondContact O-N 2.96Å; V547-R549 HydrophobicContact CG2-CG 4.45Å; R549-E553 VanDerWaalsContact CD-OE2 3.24Å; R549-E553 WeakPolarHBondContact CD-OE2 3.5Å; R549-E553 PolarHBondContact NH1-O 2.71Å; R549-K554 VanDerWaalsContact CA-O 3.24Å; R549-K554 WeakPolarHBondContact CA-O 3.31Å; R549-I555 HydrophobicContact CG-CG1 4.36Å
550	N	94.5	Very high	96.4	Very high	19 Å²	19	31.6 Å²	31.6	10%	0.102	16%	0.161	C	C	.	.			trans	-82.2	-176.3	168.3	71.7	1.8	0	0	0	110.7	Y497 D552 E553 K554 V556	Y497-N550 HydrophobicContact CD1-CB 3.98Å; Y497-N550 HydrophobicContact CE1-CB 3.55Å; N550-D552 PolarHBondContact O-N 3.38Å; N550-D552 VanDerWaalsContact O-N 3.13Å; N550-D552 WeakPolarHBondContact OD1-CA 3.21Å; N550-D552 PolarHBondContact OD1-N 3.4Å; N550-E553 PolarHBondContact O-N 3.27Å; N550-E553 VanDerWaalsContact O-N 3.13Å; N550-E553 PolarHBondContact OD1-N 3.06Å; N550-K554 PolarHBondContact N-O 3.49Å; N550-K554 WeakPolarHBondContact OD1-CB 3.28Å; N550-K554 PolarHBondContact OD1-N 3.48Å; N550-K554 PolarHBondContact OD1-O 2.61Å; N550-V556 HydrophobicContact CB-CG1 4.09Å
551	S	90.8	Very high	96.4	Very high	89 Å²	89	32 Å²	32	62%	0.622	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-16.4	178.1	52.9	0	0	0	0	115
552	D	92	Very high	96.3	Very high	131 Å²	131	30 Å²	30	70%	0.701	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99	16.7	179	-55.9	-39.4	0	0	0	112	N550 K554	N550-D552 PolarHBondContact O-N 3.38Å; N550-D552 VanDerWaalsContact O-N 3.13Å; N550-D552 WeakPolarHBondContact OD1-CA 3.21Å; N550-D552 PolarHBondContact OD1-N 3.4Å; D552-K554 PolarHBondContact O-N 2.96Å; D552-K554 VanDerWaalsContact O-N 3.07Å
553	E	92.4	Very high	96.3	Very high	105 Å²	105	28.7 Å²	28.7	49%	0.491	15%	0.153	S	C	.	.	S	Bend	trans	62.5	8.8	-177.4	-63.6	-62.1	147.4	0	0	115.2	R549 N550	R549-E553 VanDerWaalsContact CD-OE2 3.24Å; R549-E553 WeakPolarHBondContact CD-OE2 3.5Å; R549-E553 PolarHBondContact NH1-O 2.71Å; N550-E553 PolarHBondContact O-N 3.27Å; N550-E553 VanDerWaalsContact O-N 3.13Å; N550-E553 PolarHBondContact OD1-N 3.06Å
554	K	95.7	Very high	96.3	Very high	91 Å²	91	28.8 Å²	28.8	40%	0.396	15%	0.154	S	C	.	.			trans	-77.4	131.4	178.5	-174.6	180	174.3	-170.1	0	110.4	R549 N550 D552 V556 E581	R549-K554 VanDerWaalsContact CA-O 3.24Å; R549-K554 WeakPolarHBondContact CA-O 3.31Å; N550-K554 PolarHBondContact N-O 3.49Å; N550-K554 WeakPolarHBondContact OD1-CB 3.28Å; N550-K554 PolarHBondContact OD1-N 3.48Å; N550-K554 PolarHBondContact OD1-O 2.61Å; D552-K554 PolarHBondContact O-N 2.96Å; D552-K554 VanDerWaalsContact O-N 3.07Å; K554-V556 PolarHBondContact O-N 3.17Å; K554-E581 VanDerWaalsContact CD-OE2 3.28Å; K554-E581 WeakPolarHBondContact CD-OE2 3.38Å; K554-E581 WeakPolarHBondContact CE-OE2 3.16Å; K554-E581 IonicContact NZ-OE1 3.69Å; K554-E581 PolarHBondContact NZ-OE1 2.94Å; K554-E581 IonicContact NZ-OE2 2.76Å; K554-E581 PolarHBondContact NZ-OE2 3.22Å
555	I	97.5	Very high	96.2	Very high	10 Å²	10	29.6 Å²	29.6	5%	0.051	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	120.8	174.2	-60.1	170.5	0	0	0	109	A513 L514 V517 V547 I548 R549	A513-I555 HydrophobicContact CB-CD1 4.45Å; L514-I555 HydrophobicContact CD2-CD1 4.36Å; L514-I555 HydrophobicContact CD2-CG2 4.26Å; V517-I555 HydrophobicContact CG2-CG2 4.47Å; V517-I555 VanDerWaalsContact CG2-O 3.29Å; V517-I555 WeakPolarHBondContact CG2-O 3.41Å; V547-I555 HydrophobicContact CB-CG1 4.31Å; V547-I555 HydrophobicContact CB-CG2 4.13Å; V547-I555 HydrophobicContact CG1-CD1 4.08Å; V547-I555 HydrophobicContact CG1-CG1 4.4Å; V547-I555 HydrophobicContact CG1-CG2 4.12Å; I548-I555 WeakPolarHBondContact O-CA 3.17Å; R549-I555 HydrophobicContact CG-CG1 4.36Å
556	V	97.2	Very high	95.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	-18	178.5	-61.4	0	0	0	0	113.1	Y497 I548 N550 K554 H577 S578 E581 A582	Y497-V556 HydrophobicContact CD1-CG2 3.98Å; Y497-V556 HydrophobicContact CE1-CG1 4.5Å; Y497-V556 HydrophobicContact CE1-CG2 3.91Å; I548-V556 HydrophobicContact CB-CG2 4.28Å; I548-V556 HydrophobicContact CG2-CG2 3.88Å; I548-V556 WeakPolarHBondContact O-CG2 3.31Å; I548-V556 PolarHBondContact O-N 2.86Å; N550-V556 HydrophobicContact CB-CG1 4.09Å; K554-V556 PolarHBondContact O-N 3.17Å; V556-H577 CarbonylContact O-C 3.6Å; V556-H577 WeakPolarHBondContact O-CA 3.1Å; V556-S578 PolarHBondContact O-N 3.39Å; V556-E581 HydrophobicContact CB-CB 4.31Å; V556-E581 HydrophobicContact CG1-CB 3.74Å; V556-A582 HydrophobicContact CB-CB 4.47Å; V556-A582 HydrophobicContact CG2-CB 4.47Å
557	A	97.8	Very high	95.2	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	155.4	173.6	0	0	0	0	0	110.6	V547 I548 R576 H577 T586	V547-A557 CarbonylContact C-O 3.34Å; V547-A557 WeakPolarHBondContact CA-O 3.18Å; I548-A557 HydrophobicContact CB-CB 4.17Å; I548-A557 HydrophobicContact CD1-CB 4.24Å; I548-A557 PolarHBondContact N-O 3.2Å; I548-A557 PolarHBondContact O-N 3.49Å; A557-R576 CarbonylContact C-O 3.51Å; A557-R576 WeakPolarHBondContact CA-O 3.06Å; A557-R576 WeakPolarHBondContact CB-O 3.33Å; A557-H577 HydrophobicContact CB-CB 3.64Å; A557-T586 HydrophobicContact CB-CG2 3.66Å
558	F	98.1	Very high	95	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	156.4	175.1	74	-91.6	0	0	0	112.8	L514 V517 F535 I545 A546 V547 L574 M575 R576	L514-F558 HydrophobicContact CB-CD1 4.47Å; L514-F558 HydrophobicContact CB-CE1 4.33Å; L514-F558 HydrophobicContact CD2-CB 3.63Å; L514-F558 HydrophobicContact CD2-CD1 3.66Å; L514-F558 HydrophobicContact CD2-CD2 4.15Å; L514-F558 HydrophobicContact CD2-CE1 4.32Å; L514-F558 HydrophobicContact CD2-CG 3.56Å; L514-F558 VanDerWaalsContact O-CE1 3.31Å; L514-F558 WeakPolarHBondContact O-CE1 3.39Å; V517-F558 HydrophobicContact CB-CD1 4.27Å; V517-F558 HydrophobicContact CB-CE1 4.29Å; V517-F558 HydrophobicContact CG1-CD1 3.96Å; V517-F558 HydrophobicContact CG1-CE1 4.16Å; F535-F558 HydrophobicContact CD2-CZ 4.33Å; F535-F558 HydrophobicContact CE2-CZ 4.36Å; I545-F558 HydrophobicContact CG2-CB 3.87Å; I545-F558 HydrophobicContact CG2-CD2 4.08Å; I545-F558 HydrophobicContact CG2-CG 4.39Å; A546-F558 CarbonylContact O-C 3.58Å; A546-F558 WeakPolarHBondContact O-CA 3.41Å; A546-F558 WeakPolarHBondContact O-CB 3.31Å; V547-F558 HydrophobicContact CG1-CB 4.11Å; F558-L574 HydrophobicContact CE2-CB 4.1Å; F558-M575 WeakPolarHBondContact O-CA 3.19Å; F558-R576 HydrophobicContact CD1-CB 4.26Å; F558-R576 HydrophobicContact CE1-CB 3.77Å; F558-R576 HydrophobicContact CE1-CG 4.33Å; F558-R576 HydrophobicContact CZ-CB 4.02Å; F558-R576 HydrophobicContact CZ-CG 4.07Å; F558-R576 PolarHBondContact N-O 2.83Å; F558-R576 PolarHBondContact O-N 2.71Å
559	A	97.9	Very high	94.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	127.2	161.8	0	0	0	0	0	111.6	A546 I572 L574 M575 L590 L594	A546-A559 PolarHBondContact N-O 3.02Å; A546-A559 PolarHBondContact O-N 3.13Å; A559-I572 HydrophobicContact CB-CB 4.37Å; A559-I572 HydrophobicContact CB-CD1 3.91Å; A559-I572 HydrophobicContact CB-CG2 4.31Å; A559-L574 WeakPolarHBondContact CA-O 3.34Å; A559-L574 WeakPolarHBondContact CB-O 3.13Å; A559-M575 HydrophobicContact CB-CB 4.35Å; A559-M575 HydrophobicContact CB-CG 4.34Å; A559-L590 HydrophobicContact CB-CD2 3.94Å; A559-L594 HydrophobicContact CB-CD1 4.43Å
560	N	97.6	Very high	94.8	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.016	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	139	175.5	71.4	-78.3	0	0	0	110.4	Y539 L540 I545 I572 D573 L574	Y539-N560 WeakPolarHBondContact CE1-ND2 3.42Å; L540-N560 HydrophobicContact CD2-CB 3.7Å; I545-N560 HydrophobicContact CD1-CB 4.45Å; I545-N560 HydrophobicContact CG1-CB 3.9Å; N560-I572 WeakPolarHBondContact O-CA 3.49Å; N560-I572 WeakPolarHBondContact O-CB 3.47Å; N560-D573 PolarHBondContact O-N 3.24Å; N560-L574 PolarHBondContact N-O 2.79Å; N560-L574 WeakPolarHBondContact OD1-CA 3.48Å; N560-L574 WeakPolarHBondContact OD1-CB 3.37Å; N560-L574 WeakPolarHBondContact OD1-CG 3.29Å; N560-L574 PolarHBondContact OD1-N 3.38Å
561	F	97.2	Very high	94.9	Very high	11 Å²	11	40 Å²	40	5%	0.048	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	143.9	174.5	-74.7	41.4	0	0	0	107.5	V501 A543 P544 A546 P563 L594 Y597 M598 M602	V501-F561 HydrophobicContact CG1-CE1 4.38Å; V501-F561 HydrophobicContact CG1-CZ 4.26Å; V501-F561 HydrophobicContact CG2-CZ 4.27Å; A543-F561 HydrophobicContact CB-CB 4.35Å; A543-F561 VanDerWaalsContact CB-O 3.26Å; A543-F561 WeakPolarHBondContact CB-O 3.36Å; P544-F561 HydrophobicContact CB-CG 4.34Å; P544-F561 WeakPolarHBondContact O-CB 3.47Å; P544-F561 WeakPolarHBondContact O-CD1 3.37Å; P544-F561 PolarHBondContact O-N 3.14Å; A546-F561 HydrophobicContact CB-CE1 3.84Å; F561-P563 WeakPolarHBondContact O-CD 3.49Å; F561-L594 HydrophobicContact CD1-CD2 4.43Å; F561-L594 HydrophobicContact CE1-CD2 3.5Å; F561-L594 HydrophobicContact CZ-CD2 3.72Å; F561-Y597 HydrophobicContact CE2-CD1 4.03Å; F561-Y597 AromaticContact CE2-CE1 3.91Å; F561-Y597 HydrophobicContact CE2-CE1 3.91Å; F561-Y597 AromaticContact CZ-CD1 3.8Å; F561-Y597 HydrophobicContact CZ-CD1 3.8Å; F561-Y597 AromaticContact CZ-CE1 3.88Å; F561-Y597 HydrophobicContact CZ-CE1 3.88Å; F561-M598 HydrophobicContact CD1-CE 4.5Å; F561-M598 HydrophobicContact CD2-CE 3.54Å; F561-M598 HydrophobicContact CE1-CE 4.43Å; F561-M598 HydrophobicContact CE2-CE 3.46Å; F561-M598 VanDerWaalsContact CE2-CE 3.46Å; F561-M598 HydrophobicContact CE2-CG 4.18Å; F561-M598 HydrophobicContact CG-CE 4.08Å; F561-M598 HydrophobicContact CZ-CE 3.94Å; F561-M602 HydrophobicContact CD2-SD 4.21Å; F561-M602 HydrophobicContact CE2-SD 3.71Å
562	M	95.7	Very high	95.2	Very high	11 Å²	11	36.8 Å²	36.8	5%	0.054	19%	0.194	C	C	.	.			trans	-116	97.1	177.3	-173.3	175.5	172.9	0	0	107.9	P376 Q379 L380 T564 T571 D573	P376-M562 WeakPolarHBondContact O-CE 3.35Å; P376-M562 VanDerWaalsContact O-SD 3.36Å; Q379-M562 HydrophobicContact CB-CE 3.76Å; Q379-M562 HydrophobicContact CB-CG 3.59Å; Q379-M562 HydrophobicContact CG-CG 4.13Å; L380-M562 HydrophobicContact CB-CE 4.28Å; L380-M562 HydrophobicContact CD1-CE 3.92Å; L380-M562 HydrophobicContact CD2-CE 4.37Å; L380-M562 HydrophobicContact CG-CE 3.49Å; L380-M562 VanDerWaalsContact CG-CE 3.49Å; L380-M562 HydrophobicContact CG-SD 4.45Å; M562-T564 PolarHBondContact O-N 3.44Å; M562-T564 VanDerWaalsContact O-N 3.14Å; M562-T571 HydrophobicContact CB-CG2 3.76Å; M562-T571 HydrophobicContact CG-CG2 4.15Å; M562-T571 PolarHBondContact N-O 2.87Å; M562-T571 HydrophobicContact SD-CG2 4.28Å; M562-D573 HydrophobicContact CB-CB 4.25Å; M562-D573 HydrophobicContact CG-CB 4.44Å; M562-D573 HydrophobicContact SD-CB 3.93Å
563	P	95.2	Very high	95.4	Very high	40 Å²	40	32.3 Å²	32.3	26%	0.26	17%	0.17	S	C	.	.			trans	-52.2	120.7	178.8	-29.2	34.6	0	0	0	111.6	A543 F561 Y565	A543-P563 HydrophobicContact CB-CG 3.82Å; F561-P563 WeakPolarHBondContact O-CD 3.49Å; P563-Y565 HydrophobicContact CB-CD2 4.21Å; P563-Y565 HydrophobicContact CB-CE2 3.82Å; P563-Y565 WeakPolarHBondContact O-CD2 3.49Å; P563-Y565 WeakPolarHBondContact O-CE2 3.49Å
564	T	95.3	Very high	95.5	Very high	7 Å²	7	27.7 Å²	27.7	4%	0.043	15%	0.149	C	C	.	.			trans	-89	-13.1	177	65.5	0	0	0	0	111.7	G374 N375 P376 M562 T566 I569 T571	G374-T564 CarbonylContact C-O 3.57Å; G374-T564 WeakPolarHBondContact CA-O 3.33Å; N375-T564 PolarHBondContact N-O 3.24Å; P376-T564 HydrophobicContact CG-CG2 4.48Å; M562-T564 PolarHBondContact O-N 3.44Å; M562-T564 VanDerWaalsContact O-N 3.14Å; T564-T566 PolarHBondContact O-N 2.87Å; T564-T566 PolarHBondContact OG1-N 3.44Å; T564-T566 PolarHBondContact OG1-OG1 2.77Å; T564-I569 WeakPolarHBondContact CB-O 3.47Å; T564-I569 HydrophobicContact CG2-CG2 4.27Å; T564-I569 VanDerWaalsContact CG2-O 3.22Å; T564-I569 WeakPolarHBondContact CG2-O 3.2Å; T564-I569 PolarHBondContact OG1-O 3.28Å; T564-T571 HydrophobicContact CG2-CG2 3.77Å
565	Y	94.9	Very high	95.4	Very high	58 Å²	58	25.8 Å²	25.8	23%	0.227	14%	0.142	C	C	.	.	S	Bend	trans	55.5	32.7	-172.7	-55.7	-97.3	0	0	0	112.1	Q366 L369 G373 Q379 P563	Q366-Y565 PolarHBondContact OE1-OH 2.76Å; L369-Y565 HydrophobicContact CB-CD1 3.64Å; L369-Y565 HydrophobicContact CB-CD2 4.1Å; L369-Y565 HydrophobicContact CB-CE1 3.72Å; L369-Y565 HydrophobicContact CB-CE2 4.21Å; L369-Y565 HydrophobicContact CB-CG 3.81Å; L369-Y565 HydrophobicContact CD1-CD2 4.08Å; L369-Y565 HydrophobicContact CD1-CE1 4.29Å; L369-Y565 HydrophobicContact CD1-CE2 3.6Å; L369-Y565 HydrophobicContact CD2-CD2 4.04Å; L369-Y565 HydrophobicContact CD2-CE2 4.4Å; L369-Y565 HydrophobicContact CD2-CG 4.33Å; L369-Y565 HydrophobicContact CG-CD2 4.3Å; L369-Y565 HydrophobicContact CG-CE2 4.29Å; L369-Y565 HydrophobicContact CG-CG 4.48Å; G373-Y565 WeakPolarHBondContact CA-O 3.48Å; Q379-Y565 VanDerWaalsContact OE1-CE2 3.29Å; Q379-Y565 PolarHBondContact OE1-OH 2.82Å; Q379-Y565 VanDerWaalsContact OE1-OH 3.06Å; P563-Y565 HydrophobicContact CB-CD2 4.21Å; P563-Y565 HydrophobicContact CB-CE2 3.82Å; P563-Y565 WeakPolarHBondContact O-CD2 3.49Å; P563-Y565 WeakPolarHBondContact O-CE2 3.49Å
566	T	90.5	Very high	95.4	Very high	43 Å²	43	25.6 Å²	25.6	26%	0.264	14%	0.14	S	C	.	.	S	Bend	trans	-128.9	158	171.8	72.4	0	0	0	0	108.7	G374 T564 I569	G374-T566 WeakPolarHBondContact O-CG2 3.18Å; T564-T566 PolarHBondContact O-N 2.87Å; T564-T566 PolarHBondContact OG1-N 3.44Å; T564-T566 PolarHBondContact OG1-OG1 2.77Å; T566-I569 VanDerWaalsContact OG1-CG2 3.23Å; T566-I569 WeakPolarHBondContact OG1-CG2 3.38Å; T566-I569 PolarHBondContact OG1-N 3.31Å
567	N	86.9	Confident	95.3	Very high	154 Å²	154	28 Å²	28	82%	0.824	15%	0.152	S	C	*	.	S	Bend	trans	-92	-6.8	177.8	-65	-18	0	0	0	113.1
568	S	92.2	Very high	95.2	Very high	55 Å²	55	28 Å²	28	39%	0.385	15%	0.152	S	C	.	.	S	Bend	trans	-105	-28.5	-170.3	54.4	0	0	0	0	113.7	E605 Y606	S568-E605 WeakPolarHBondContact O-CB 3.46Å; S568-E605 PolarHBondContact O-N 3.3Å; S568-E605 VanDerWaalsContact O-N 3.08Å; S568-Y606 PolarHBondContact O-N 3.21Å
569	I	95.9	Very high	95	Very high	21 Å²	21	32 Å²	32	11%	0.108	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	129.3	-173.1	-165.7	164.1	0	0	0	113	P376 T564 T566 Y606 D608	P376-I569 HydrophobicContact CG-CD1 4.22Å; P376-I569 HydrophobicContact CG-CG2 4.22Å; T564-I569 WeakPolarHBondContact CB-O 3.47Å; T564-I569 HydrophobicContact CG2-CG2 4.27Å; T564-I569 VanDerWaalsContact CG2-O 3.22Å; T564-I569 WeakPolarHBondContact CG2-O 3.2Å; T564-I569 PolarHBondContact OG1-O 3.28Å; T566-I569 VanDerWaalsContact OG1-CG2 3.23Å; T566-I569 WeakPolarHBondContact OG1-CG2 3.38Å; T566-I569 PolarHBondContact OG1-N 3.31Å; I569-Y606 CarbonylContact C-O 3.58Å; I569-Y606 VanDerWaalsContact CA-O 3.28Å; I569-Y606 WeakPolarHBondContact CA-O 3.18Å; I569-D608 HydrophobicContact CD1-CB 3.88Å; I569-D608 HydrophobicContact CG1-CB 4.16Å
570	G	96.4	Very high	94.6	Very high	7 Å²	7	40.4 Å²	40.4	7%	0.072	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	149.9	174.5	0	0	0	0	0	111.2	I604 Y606 F607 D608	G570-I604 VanDerWaalsContact N-CG2 3.33Å; G570-Y606 PolarHBondContact N-O 3.48Å; G570-F607 CarbonylContact O-C 3.43Å; G570-F607 WeakPolarHBondContact O-CA 3.29Å; G570-D608 PolarHBondContact O-N 2.98Å
571	T	96.7	Very high	94.3	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.031	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	171.6	176.6	-166.1	0	0	0	0	111.3	P376 M562 T564 D608	P376-T571 HydrophobicContact CB-CG2 4.23Å; M562-T571 HydrophobicContact CB-CG2 3.76Å; M562-T571 HydrophobicContact CG-CG2 4.15Å; M562-T571 PolarHBondContact N-O 2.87Å; M562-T571 HydrophobicContact SD-CG2 4.28Å; T564-T571 HydrophobicContact CG2-CG2 3.77Å; T571-D608 PolarHBondContact OG1-O 3.35Å
572	I	96.2	Very high	94.1	Very high	21 Å²	21	43.4 Å²	43.4	11%	0.108	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	157.8	176.8	61.9	173	0	0	0	109.4	A559 N560 M575 F591 L594 M598 F607	A559-I572 HydrophobicContact CB-CB 4.37Å; A559-I572 HydrophobicContact CB-CD1 3.91Å; A559-I572 HydrophobicContact CB-CG2 4.31Å; N560-I572 WeakPolarHBondContact O-CA 3.49Å; N560-I572 WeakPolarHBondContact O-CB 3.47Å; I572-M575 HydrophobicContact CD1-CB 4.21Å; I572-M575 HydrophobicContact CD1-CG 4.33Å; I572-M575 HydrophobicContact CD1-SD 3.92Å; I572-F591 HydrophobicContact CD1-CE1 3.77Å; I572-F591 HydrophobicContact CD1-CZ 4.21Å; I572-L594 HydrophobicContact CD1-CD1 4.06Å; I572-L594 HydrophobicContact CG2-CD1 4Å; I572-L594 HydrophobicContact CG2-CD2 4.38Å; I572-M598 HydrophobicContact CG2-CE 4.44Å; I572-F607 HydrophobicContact CD1-CZ 4.37Å; I572-F607 HydrophobicContact CG1-CZ 4.07Å; I572-F607 HydrophobicContact CG2-CE2 4.35Å; I572-F607 HydrophobicContact CG2-CZ 4Å
573	D	95.3	Very high	93.8	Very high	36 Å²	36	43.9 Å²	43.9	19%	0.193	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-84.4	176.4	172.5	38.6	0	0	0	111.5	G533 Y539 N560 M562 M575	G533-D573 VanDerWaalsContact CA-OD1 3.31Å; G533-D573 WeakPolarHBondContact CA-OD1 3.48Å; G533-D573 VanDerWaalsContact CA-OD2 3.31Å; G533-D573 WeakPolarHBondContact CA-OD2 3.42Å; G533-D573 PolarHBondContact N-OD1 2.78Å; Y539-D573 WeakPolarHBondContact CE1-OD2 3.34Å; Y539-D573 PolarHBondContact OH-OD2 2.79Å; N560-D573 PolarHBondContact O-N 3.24Å; M562-D573 HydrophobicContact CB-CB 4.25Å; M562-D573 HydrophobicContact CG-CB 4.44Å; M562-D573 HydrophobicContact SD-CB 3.93Å; D573-M575 PolarHBondContact O-N 3.34Å
574	L	95.2	Very high	93.5	Very high	9 Å²	9	46.5 Å²	46.5	5%	0.047	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	135.5	176.7	-53	-176.7	0	0	0	109.4	G533 L540 F558 A559 N560	G533-L574 VanDerWaalsContact C-CD2 3.5Å; G533-L574 WeakPolarHBondContact O-CD2 3.48Å; L540-L574 HydrophobicContact CD2-CD1 4.23Å; F558-L574 HydrophobicContact CE2-CB 4.1Å; A559-L574 WeakPolarHBondContact CA-O 3.34Å; A559-L574 WeakPolarHBondContact CB-O 3.13Å; N560-L574 PolarHBondContact N-O 2.79Å; N560-L574 WeakPolarHBondContact OD1-CA 3.48Å; N560-L574 WeakPolarHBondContact OD1-CB 3.37Å; N560-L574 WeakPolarHBondContact OD1-CG 3.29Å; N560-L574 PolarHBondContact OD1-N 3.38Å
575	M	94.4	Very high	93.3	Very high	50 Å²	50	46.9 Å²	46.9	25%	0.246	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	105.5	173.6	-177.1	179.8	54.1	0	0	108.8	F558 A559 I572 D573 M587 L590 F591	F558-M575 WeakPolarHBondContact O-CA 3.19Å; A559-M575 HydrophobicContact CB-CB 4.35Å; A559-M575 HydrophobicContact CB-CG 4.34Å; I572-M575 HydrophobicContact CD1-CB 4.21Å; I572-M575 HydrophobicContact CD1-CG 4.33Å; I572-M575 HydrophobicContact CD1-SD 3.92Å; D573-M575 PolarHBondContact O-N 3.34Å; M575-M587 HydrophobicContact CE-CE 3.17Å; M575-M587 HydrophobicContact CG-CE 3.62Å; M575-M587 HydrophobicContact SD-CE 3.16Å; M575-M587 WeakPolarHBondContact SD-CE 3.36Å; M575-L590 HydrophobicContact CG-CD2 3.81Å; M575-L590 HydrophobicContact SD-CD2 4.22Å; M575-F591 HydrophobicContact CE-CE2 3.84Å; M575-F591 HydrophobicContact CE-CZ 3.71Å; M575-F591 HydrophobicContact SD-CD2 4.36Å; M575-F591 HydrophobicContact SD-CE1 4.15Å; M575-F591 HydrophobicContact SD-CE2 3.47Å; M575-F591 WeakPolarHBondContact SD-CE2 3.36Å; M575-F591 HydrophobicContact SD-CZ 3.35Å; M575-F591 WeakPolarHBondContact SD-CZ 3.34Å
576	R	96	Very high	93.2	Very high	6 Å²	6	44.3 Å²	44.3	2%	0.023	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	148.2	-168.3	-55.9	-173.7	-172	-160.5	-9	110.9	V517 S518 W521 E527 A557 F558	V517-R576 HydrophobicContact CG1-CB 4.5Å; S518-R576 PolarHBondContact OG-NH1 2.8Å; W521-R576 HydrophobicContact CB-CB 4.12Å; W521-R576 HydrophobicContact CD2-CB 4.27Å; W521-R576 HydrophobicContact CD2-CG 4.04Å; W521-R576 HydrophobicContact CE3-CG 4.06Å; W521-R576 HydrophobicContact CG-CB 3.99Å; W521-R576 HydrophobicContact CG-CG 4.29Å; E527-R576 IonicContact OE1-CZ 2.83Å; E527-R576 IonicContact OE1-NH1 3.04Å; E527-R576 PolarHBondContact OE1-NH1 2.76Å; E527-R576 IonicContact OE1-NH2 3.62Å; E527-R576 PolarHBondContact OE1-NH2 2.71Å; E527-R576 IonicContact OE2-CZ 2.71Å; E527-R576 IonicContact OE2-NH1 3.72Å; E527-R576 IonicContact OE2-NH2 3.48Å; E527-R576 PolarHBondContact OE2-NH2 3.4Å; A557-R576 CarbonylContact C-O 3.51Å; A557-R576 WeakPolarHBondContact CA-O 3.06Å; A557-R576 WeakPolarHBondContact CB-O 3.33Å; F558-R576 HydrophobicContact CD1-CB 4.26Å; F558-R576 HydrophobicContact CE1-CB 3.77Å; F558-R576 HydrophobicContact CE1-CG 4.33Å; F558-R576 HydrophobicContact CZ-CB 4.02Å; F558-R576 HydrophobicContact CZ-CG 4.07Å; F558-R576 PolarHBondContact N-O 2.83Å; F558-R576 PolarHBondContact O-N 2.71Å
577	H	96	Very high	93.2	Very high	51 Å²	51	44.2 Å²	44.2	24%	0.236	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	148.2	179	63.6	-90	0	0	0	110.8	W521 V556 A557 P579 A582 T586 M587	W521-H577 WeakPolarHBondContact CB-O 3.35Å; W521-H577 AromaticContact CD1-CE1 3.9Å; W521-H577 AromaticContact CD1-ND1 3.78Å; W521-H577 AromaticContact NE1-CE1 3.87Å; W521-H577 AromaticContact NE1-ND1 3.9Å; V556-H577 CarbonylContact O-C 3.6Å; V556-H577 WeakPolarHBondContact O-CA 3.1Å; A557-H577 HydrophobicContact CB-CB 3.64Å; H577-P579 WeakPolarHBondContact O-CD 3.38Å; H577-A582 HydrophobicContact CB-CB 3.9Å; H577-T586 HydrophobicContact CB-CG2 4.35Å; H577-M587 PolarHBondContact ND1-SD 3.16Å; H577-M587 VanDerWaalsContact ND1-SD 3.42Å
578	S	95.9	Very high	93.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.216	C	C	.	.			trans	-68.1	122.1	171.6	177.8	0	0	0	0	109	E520 V556 E580 E581 A582	E520-S578 WeakPolarHBondContact OE2-CB 3.3Å; E520-S578 PolarHBondContact OE2-OG 3.17Å; V556-S578 PolarHBondContact O-N 3.39Å; S578-E580 PolarHBondContact O-N 3.15Å; S578-E580 PolarHBondContact OG-N 3.42Å; S578-E581 PolarHBondContact OG-N 3.5Å; S578-A582 WeakPolarHBondContact O-CB 3.35Å; S578-A582 PolarHBondContact O-N 3.39Å
579	P	92.8	Very high	93.6	Very high	85 Å²	85	35.4 Å²	35.4	55%	0.552	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-20.7	176.7	27.2	-32.9	0	0	0	113	H577	H577-P579 WeakPolarHBondContact O-CD 3.38Å
580	E	90.8	Very high	93.6	Very high	175 Å²	175	34.4 Å²	34.4	82%	0.818	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-41.8	-179.1	-63.2	-174.2	-178.4	0	0	112	S578	S578-E580 PolarHBondContact O-N 3.15Å; S578-E580 PolarHBondContact OG-N 3.42Å
581	E	91.9	Very high	93.6	Very high	62 Å²	62	34.6 Å²	34.6	29%	0.29	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-23.4	-172.6	-60.5	-172.6	-179.6	0	0	114.3	Y497 K554 V556 S578	Y497-E581 PolarHBondContact OH-O 2.93Å; Y497-E581 VanDerWaalsContact OH-O 3.08Å; K554-E581 VanDerWaalsContact CD-OE2 3.28Å; K554-E581 WeakPolarHBondContact CD-OE2 3.38Å; K554-E581 WeakPolarHBondContact CE-OE2 3.16Å; K554-E581 IonicContact NZ-OE1 3.69Å; K554-E581 PolarHBondContact NZ-OE1 2.94Å; K554-E581 IonicContact NZ-OE2 2.76Å; K554-E581 PolarHBondContact NZ-OE2 3.22Å; V556-E581 HydrophobicContact CB-CB 4.31Å; V556-E581 HydrophobicContact CG1-CB 3.74Å; S578-E581 PolarHBondContact OG-N 3.5Å
582	A	92.5	Very high	93.5	Very high	16 Å²	16	34.4 Å²	34.4	13%	0.132	19%	0.19	C	C	.	.	S	Bend	trans	-81	128.7	179.7	0	0	0	0	0	110.8	V556 H577 S578 T586	V556-A582 HydrophobicContact CB-CB 4.47Å; V556-A582 HydrophobicContact CG2-CB 4.47Å; H577-A582 HydrophobicContact CB-CB 3.9Å; S578-A582 WeakPolarHBondContact O-CB 3.35Å; S578-A582 PolarHBondContact O-N 3.39Å; A582-T586 HydrophobicContact CB-CG2 4.08Å
583	P	90.2	Very high	93.6	Very high	20 Å²	20	34.6 Å²	34.6	13%	0.13	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-70.2	160.6	-177	29.1	-37	0	0	0	112.2	V492 E495 Y497 G585 T586	V492-P583 HydrophobicContact CG1-CG 4.06Å; V492-P583 HydrophobicContact CG2-CG 4.11Å; E495-P583 WeakPolarHBondContact OE2-CB 3.47Å; Y497-P583 HydrophobicContact CD1-CG 4.29Å; Y497-P583 HydrophobicContact CD2-CG 3.77Å; Y497-P583 HydrophobicContact CE1-CG 4.13Å; Y497-P583 HydrophobicContact CE2-CB 4.09Å; Y497-P583 HydrophobicContact CE2-CG 3.59Å; Y497-P583 HydrophobicContact CG-CG 4.13Å; Y497-P583 VanDerWaalsContact CZ-CD 3.47Å; P583-G585 PolarHBondContact O-N 3.22Å; P583-G585 VanDerWaalsContact O-N 3.14Å; P583-T586 WeakPolarHBondContact CD-OG1 3.49Å; P583-T586 WeakPolarHBondContact CG-OG1 3.48Å; P583-T586 WeakPolarHBondContact O-CB 3Å; P583-T586 PolarHBondContact O-N 3.1Å; P583-T586 PolarHBondContact O-OG1 3.25Å
584	S	87.9	Confident	93.7	Very high	95 Å²	95	32.9 Å²	32.9	66%	0.664	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	118.9	169.5	170.6	0	0	0	0	110
585	G	90.4	Very high	93.8	Very high	15 Å²	15	32.5 Å²	32.5	16%	0.155	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	113	-6.4	-177.9	0	0	0	0	0	114.2	S488 P583 M587 D588 F589	S488-G585 VanDerWaalsContact OG-CA 3.23Å; S488-G585 WeakPolarHBondContact OG-CA 3.33Å; P583-G585 PolarHBondContact O-N 3.22Å; P583-G585 VanDerWaalsContact O-N 3.14Å; G585-M587 PolarHBondContact O-N 2.81Å; G585-M587 VanDerWaalsContact O-N 3.12Å; G585-D588 PolarHBondContact O-N 3.14Å; G585-D588 VanDerWaalsContact O-N 3.07Å; G585-F589 PolarHBondContact O-N 3.31Å
586	T	92.8	Very high	93.9	Very high	4 Å²	4	32.8 Å²	32.8	3%	0.025	18%	0.181	C	C	.	.	H	α-helix	trans	-48.2	-40.3	178.9	-65.2	0	0	0	0	113.6	I548 A557 H577 A582 P583 F589 L590	I548-T586 HydrophobicContact CD1-CG2 3.58Å; A557-T586 HydrophobicContact CB-CG2 3.66Å; H577-T586 HydrophobicContact CB-CG2 4.35Å; A582-T586 HydrophobicContact CB-CG2 4.08Å; P583-T586 WeakPolarHBondContact CD-OG1 3.49Å; P583-T586 WeakPolarHBondContact CG-OG1 3.48Å; P583-T586 WeakPolarHBondContact O-CB 3Å; P583-T586 PolarHBondContact O-N 3.1Å; P583-T586 PolarHBondContact O-OG1 3.25Å; T586-F589 PolarHBondContact O-N 2.69Å; T586-L590 VanDerWaalsContact O-CB 3.3Å; T586-L590 WeakPolarHBondContact O-CB 3.22Å; T586-L590 PolarHBondContact O-N 3.05Å
587	M	90.7	Very high	94	Very high	42 Å²	42	35.9 Å²	35.9	21%	0.207	19%	0.194	C	C	.	.	H	α-helix	trans	-67.5	-44.2	-179	-56.9	-57.6	-64.7	0	0	112.5	M575 H577 G585 F589 L590 F591 Y649	M575-M587 HydrophobicContact CE-CE 3.17Å; M575-M587 HydrophobicContact CG-CE 3.62Å; M575-M587 HydrophobicContact SD-CE 3.16Å; M575-M587 WeakPolarHBondContact SD-CE 3.36Å; H577-M587 PolarHBondContact ND1-SD 3.16Å; H577-M587 VanDerWaalsContact ND1-SD 3.42Å; G585-M587 PolarHBondContact O-N 2.81Å; G585-M587 VanDerWaalsContact O-N 3.12Å; M587-F589 VanDerWaalsContact C-N 3.33Å; M587-L590 PolarHBondContact O-N 3.19Å; M587-F591 VanDerWaalsContact O-CD2 3.27Å; M587-F591 WeakPolarHBondContact O-CD2 3.47Å; M587-F591 PolarHBondContact O-N 2.93Å; M587-Y649 VanDerWaalsContact C-OH 3.27Å; M587-Y649 HydrophobicContact CB-CE2 4.5Å; M587-Y649 WeakPolarHBondContact CB-OH 3.37Å
588	D	92.6	Very high	94	Very high	20 Å²	20	33.6 Å²	33.6	11%	0.107	18%	0.183	C	C	.	.	H	α-helix	trans	-65.4	-42.5	175.1	-68.6	-46.7	0	0	0	109.2	G585 L590 F591 I592 Y649 K652 Y653	G585-D588 PolarHBondContact O-N 3.14Å; G585-D588 VanDerWaalsContact O-N 3.07Å; D588-L590 PolarHBondContact O-N 3Å; D588-F591 PolarHBondContact O-N 3.18Å; D588-I592 HydrophobicContact CB-CD1 4.33Å; D588-I592 VanDerWaalsContact O-CB 3.22Å; D588-I592 WeakPolarHBondContact O-CB 3.42Å; D588-I592 VanDerWaalsContact O-CD1 3.23Å; D588-I592 WeakPolarHBondContact O-CD1 3.21Å; D588-I592 WeakPolarHBondContact O-CG1 3.38Å; D588-I592 PolarHBondContact O-N 2.94Å; D588-Y649 PolarHBondContact N-OH 2.75Å; D588-Y649 PolarHBondContact OD1-OH 2.61Å; D588-K652 IonicContact OD1-NZ 3.16Å; D588-K652 PolarHBondContact OD1-NZ 3.49Å; D588-K652 IonicContact OD2-NZ 2.6Å; D588-Y653 WeakPolarHBondContact CB-OH 3.04Å; D588-Y653 VanDerWaalsContact CG-OH 3.25Å; D588-Y653 PolarHBondContact OD1-OH 3.42Å
589	F	95.6	Very high	94	Very high	3 Å²	3	36.7 Å²	36.7	1%	0.013	20%	0.195	C	C	.	.	H	α-helix	trans	-59.2	-43.8	176.2	-174.2	-99.4	0	0	0	112.3	F489 V492 L493 F499 I548 G585 T586 M587 N593	F489-F589 AromaticContact CD2-CD2 3.47Å; F489-F589 HydrophobicContact CD2-CD2 3.47Å; F489-F589 VanDerWaalsContact CD2-CD2 3.47Å; F489-F589 HydrophobicContact CD2-CE2 4.01Å; F489-F589 HydrophobicContact CD2-CG 4.31Å; F489-F589 HydrophobicContact CE1-CE2 4.38Å; F489-F589 AromaticContact CE2-CD2 3.61Å; F489-F589 HydrophobicContact CE2-CD2 3.61Å; F489-F589 AromaticContact CE2-CE2 3.72Å; F489-F589 HydrophobicContact CE2-CE2 3.72Å; F489-F589 HydrophobicContact CE2-CG 4.45Å; F489-F589 HydrophobicContact CG-CD2 4.01Å; F489-F589 HydrophobicContact CG-CE2 4.46Å; F489-F589 HydrophobicContact CZ-CD2 4.23Å; F489-F589 AromaticContact CZ-CE2 3.92Å; F489-F589 HydrophobicContact CZ-CE2 3.92Å; V492-F589 HydrophobicContact CB-CB 4.21Å; V492-F589 HydrophobicContact CB-CD2 3.83Å; V492-F589 HydrophobicContact CB-CE2 4.38Å; V492-F589 HydrophobicContact CB-CG 4.01Å; V492-F589 HydrophobicContact CG1-CB 4.05Å; V492-F589 HydrophobicContact CG1-CD1 3.83Å; V492-F589 HydrophobicContact CG1-CD2 3.78Å; V492-F589 HydrophobicContact CG1-CE1 4.17Å; V492-F589 HydrophobicContact CG1-CE2 4.15Å; V492-F589 HydrophobicContact CG1-CG 3.61Å; V492-F589 HydrophobicContact CG1-CZ 4.32Å; V492-F589 HydrophobicContact CG2-CB 4.28Å; L493-F589 HydrophobicContact CB-CE2 4.23Å; L493-F589 HydrophobicContact CD1-CE2 4.44Å; F499-F589 HydrophobicContact CB-CE1 3.99Å; F499-F589 HydrophobicContact CB-CZ 4.45Å; I548-F589 HydrophobicContact CD1-CD1 3.76Å; I548-F589 HydrophobicContact CD1-CE1 4.45Å; I548-F589 HydrophobicContact CG1-CD1 4.19Å; I548-F589 HydrophobicContact CG1-CE1 4.4Å; G585-F589 PolarHBondContact O-N 3.31Å; T586-F589 PolarHBondContact O-N 2.69Å; M587-F589 VanDerWaalsContact C-N 3.33Å; F589-N593 WeakPolarHBondContact CD1-ND2 3.45Å; F589-N593 VanDerWaalsContact CE1-ND2 3.32Å; F589-N593 WeakPolarHBondContact CE1-ND2 3.1Å; F589-N593 VanDerWaalsContact CZ-ND2 3.34Å; F589-N593 WeakPolarHBondContact CZ-ND2 3.45Å; F589-N593 WeakPolarHBondContact O-CB 3.41Å; F589-N593 PolarHBondContact O-N 2.82Å; F589-N593 VanDerWaalsContact O-N 3.1Å; F589-N593 PolarHBondContact O-ND2 3.21Å
590	L	95.6	Very high	94.2	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-62.8	-54	178.1	-177.4	59.1	0	0	0	111.6	F499 A546 I548 A559 M575 T586 M587 D588 I592 N593 L594	F499-L590 HydrophobicContact CD2-CD1 4.22Å; F499-L590 HydrophobicContact CE2-CD1 4.03Å; A546-L590 HydrophobicContact CB-CD1 4.07Å; I548-L590 HydrophobicContact CD1-CB 3.83Å; I548-L590 HydrophobicContact CD1-CD1 4.15Å; I548-L590 HydrophobicContact CD1-CG 4.48Å; I548-L590 HydrophobicContact CG1-CD1 4.32Å; A559-L590 HydrophobicContact CB-CD2 3.94Å; M575-L590 HydrophobicContact CG-CD2 3.81Å; M575-L590 HydrophobicContact SD-CD2 4.22Å; T586-L590 VanDerWaalsContact O-CB 3.3Å; T586-L590 WeakPolarHBondContact O-CB 3.22Å; T586-L590 PolarHBondContact O-N 3.05Å; M587-L590 PolarHBondContact O-N 3.19Å; D588-L590 PolarHBondContact O-N 3Å; L590-I592 PolarHBondContact O-N 3.24Å; L590-N593 PolarHBondContact O-N 2.85Å; L590-L594 HydrophobicContact CD1-CD1 4.16Å; L590-L594 HydrophobicContact CD1-CG 4.34Å; L590-L594 HydrophobicContact CG-CD1 3.94Å; L590-L594 WeakPolarHBondContact O-CB 3.4Å; L590-L594 WeakPolarHBondContact O-CG 3.32Å; L590-L594 PolarHBondContact O-N 3.08Å
591	F	95.5	Very high	94.4	Very high	11 Å²	11	35.7 Å²	35.7	5%	0.048	19%	0.186	C	C	.	.	H	α-helix	trans	-61.3	-45	-179.5	-83.5	-60.1	0	0	0	112.3	I572 M575 M587 D588 N593 L594 F595 F607 L609 Y649	I572-F591 HydrophobicContact CD1-CE1 3.77Å; I572-F591 HydrophobicContact CD1-CZ 4.21Å; M575-F591 HydrophobicContact CE-CE2 3.84Å; M575-F591 HydrophobicContact CE-CZ 3.71Å; M575-F591 HydrophobicContact SD-CD2 4.36Å; M575-F591 HydrophobicContact SD-CE1 4.15Å; M575-F591 HydrophobicContact SD-CE2 3.47Å; M575-F591 WeakPolarHBondContact SD-CE2 3.36Å; M575-F591 HydrophobicContact SD-CZ 3.35Å; M575-F591 WeakPolarHBondContact SD-CZ 3.34Å; M587-F591 VanDerWaalsContact O-CD2 3.27Å; M587-F591 WeakPolarHBondContact O-CD2 3.47Å; M587-F591 PolarHBondContact O-N 2.93Å; D588-F591 PolarHBondContact O-N 3.18Å; F591-N593 VanDerWaalsContact C-N 3.29Å; F591-N593 PolarHBondContact O-N 2.81Å; F591-L594 HydrophobicContact CD1-CD1 4.5Å; F591-L594 WeakPolarHBondContact O-CB 3.39Å; F591-L594 PolarHBondContact O-N 2.87Å; F591-F595 HydrophobicContact CB-CE1 4.2Å; F591-F595 HydrophobicContact CB-CE2 4.05Å; F591-F595 HydrophobicContact CB-CZ 3.74Å; F591-F595 AromaticContact CD1-CE1 3.88Å; F591-F595 HydrophobicContact CD1-CE1 3.88Å; F591-F595 AromaticContact CD1-CZ 3.95Å; F591-F595 HydrophobicContact CD1-CZ 3.95Å; F591-F595 HydrophobicContact CG-CE1 4.45Å; F591-F595 HydrophobicContact CG-CZ 4.14Å; F591-F595 WeakPolarHBondContact O-CB 3.47Å; F591-F595 VanDerWaalsContact O-CD1 3.24Å; F591-F595 WeakPolarHBondContact O-CD1 3.46Å; F591-F595 WeakPolarHBondContact O-CD2 3.36Å; F591-F595 WeakPolarHBondContact O-CG 3.35Å; F591-F595 PolarHBondContact O-N 2.78Å; F591-F607 HydrophobicContact CD1-CE1 4.24Å; F591-F607 HydrophobicContact CD1-CZ 4.36Å; F591-F607 HydrophobicContact CE1-CE1 4.04Å; F591-F607 HydrophobicContact CE1-CZ 4.28Å; F591-L609 HydrophobicContact CD1-CD2 3.69Å; F591-L609 HydrophobicContact CE1-CD2 3.39Å; F591-L609 HydrophobicContact CG-CD2 4.43Å; F591-L609 HydrophobicContact CZ-CD2 3.9Å; F591-Y649 AromaticContact CD2-CE1 3.94Å; F591-Y649 HydrophobicContact CD2-CE1 3.94Å; F591-Y649 AromaticContact CE2-CE1 3.74Å; F591-Y649 HydrophobicContact CE2-CE1 3.74Å
592	I	96.3	Very high	94.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61	-40.4	180	-70.2	166.1	0	0	0	111.2	F475 L477 Q485 F489 D588 L590 Q596 Y653	F475-I592 HydrophobicContact CE1-CG2 4.46Å; F475-I592 HydrophobicContact CZ-CG1 4.21Å; F475-I592 HydrophobicContact CZ-CG2 4.47Å; L477-I592 HydrophobicContact CD1-CG2 3.7Å; L477-I592 HydrophobicContact CD2-CD1 3.87Å; L477-I592 HydrophobicContact CD2-CG1 4.04Å; L477-I592 HydrophobicContact CD2-CG2 3.81Å; L477-I592 HydrophobicContact CG-CG2 4.14Å; Q485-I592 HydrophobicContact CB-CD1 4.12Å; F489-I592 HydrophobicContact CB-CD1 4.1Å; F489-I592 HydrophobicContact CD2-CB 3.84Å; F489-I592 HydrophobicContact CD2-CD1 4.03Å; F489-I592 HydrophobicContact CD2-CG2 3.42Å; F489-I592 VanDerWaalsContact CD2-CG2 3.42Å; F489-I592 HydrophobicContact CE2-CB 4.1Å; F489-I592 HydrophobicContact CE2-CG2 3.48Å; F489-I592 VanDerWaalsContact CE2-CG2 3.48Å; F489-I592 HydrophobicContact CG-CD1 4.46Å; F489-I592 HydrophobicContact CG-CG2 4.3Å; F489-I592 HydrophobicContact CZ-CG2 4.39Å; D588-I592 HydrophobicContact CB-CD1 4.33Å; D588-I592 VanDerWaalsContact O-CB 3.22Å; D588-I592 WeakPolarHBondContact O-CB 3.42Å; D588-I592 VanDerWaalsContact O-CD1 3.23Å; D588-I592 WeakPolarHBondContact O-CD1 3.21Å; D588-I592 WeakPolarHBondContact O-CG1 3.38Å; D588-I592 PolarHBondContact O-N 2.94Å; L590-I592 PolarHBondContact O-N 3.24Å; I592-Q596 WeakPolarHBondContact O-CG 3.14Å; I592-Q596 PolarHBondContact O-N 3.03Å; I592-Q596 PolarHBondContact O-NE2 2.85Å; I592-Y653 HydrophobicContact CG1-CE1 4.11Å
593	N	97.4	Very high	94.6	Very high	26 Å²	26	39.3 Å²	39.3	14%	0.139	22%	0.216	C	C	.	.	H	α-helix	trans	-70.8	-40.9	174.6	-78.7	-63.5	0	0	0	112	F489 F499 F589 L590 F591 F595 Q596 Y597	F489-N593 WeakPolarHBondContact CE2-ND2 3.49Å; F499-N593 HydrophobicContact CB-CB 3.96Å; F499-N593 HydrophobicContact CD1-CB 3.73Å; F499-N593 HydrophobicContact CD2-CB 3.43Å; F499-N593 VanDerWaalsContact CD2-CB 3.43Å; F499-N593 HydrophobicContact CE1-CB 4.01Å; F499-N593 HydrophobicContact CE2-CB 3.7Å; F499-N593 HydrophobicContact CG-CB 3.42Å; F499-N593 VanDerWaalsContact CG-CB 3.42Å; F499-N593 HydrophobicContact CZ-CB 3.99Å; F589-N593 WeakPolarHBondContact CD1-ND2 3.45Å; F589-N593 VanDerWaalsContact CE1-ND2 3.32Å; F589-N593 WeakPolarHBondContact CE1-ND2 3.1Å; F589-N593 VanDerWaalsContact CZ-ND2 3.34Å; F589-N593 WeakPolarHBondContact CZ-ND2 3.45Å; F589-N593 WeakPolarHBondContact O-CB 3.41Å; F589-N593 PolarHBondContact O-N 2.82Å; F589-N593 VanDerWaalsContact O-N 3.1Å; F589-N593 PolarHBondContact O-ND2 3.21Å; L590-N593 PolarHBondContact O-N 2.85Å; F591-N593 VanDerWaalsContact C-N 3.29Å; F591-N593 PolarHBondContact O-N 2.81Å; N593-F595 VanDerWaalsContact C-N 3.33Å; N593-F595 PolarHBondContact O-N 3.23Å; N593-Q596 PolarHBondContact O-N 2.86Å; N593-Y597 VanDerWaalsContact O-CB 3.3Å; N593-Y597 WeakPolarHBondContact O-CB 3.28Å; N593-Y597 PolarHBondContact O-N 3.36Å
594	L	97.3	Very high	94.9	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-58.1	-44.3	174.8	-79.8	168.9	0	0	0	112.1	F499 A546 A559 F561 I572 L590 F591 Q596 Y597 M598 F607	F499-L594 HydrophobicContact CE2-CD2 4.39Å; F499-L594 HydrophobicContact CE2-CG 4.26Å; F499-L594 HydrophobicContact CZ-CD2 4.34Å; A546-L594 HydrophobicContact CB-CD2 3.69Å; A546-L594 HydrophobicContact CB-CG 4.37Å; A559-L594 HydrophobicContact CB-CD1 4.43Å; F561-L594 HydrophobicContact CD1-CD2 4.43Å; F561-L594 HydrophobicContact CE1-CD2 3.5Å; F561-L594 HydrophobicContact CZ-CD2 3.72Å; I572-L594 HydrophobicContact CD1-CD1 4.06Å; I572-L594 HydrophobicContact CG2-CD1 4Å; I572-L594 HydrophobicContact CG2-CD2 4.38Å; L590-L594 HydrophobicContact CD1-CD1 4.16Å; L590-L594 HydrophobicContact CD1-CG 4.34Å; L590-L594 HydrophobicContact CG-CD1 3.94Å; L590-L594 WeakPolarHBondContact O-CB 3.4Å; L590-L594 WeakPolarHBondContact O-CG 3.32Å; L590-L594 PolarHBondContact O-N 3.08Å; F591-L594 HydrophobicContact CD1-CD1 4.5Å; F591-L594 WeakPolarHBondContact O-CB 3.39Å; F591-L594 PolarHBondContact O-N 2.87Å; L594-Q596 PolarHBondContact O-N 2.61Å; L594-Y597 PolarHBondContact O-N 3.27Å; L594-M598 WeakPolarHBondContact O-CB 3.36Å; L594-M598 WeakPolarHBondContact O-CG 3.42Å; L594-M598 PolarHBondContact O-N 2.9Å; L594-F607 HydrophobicContact CB-CE2 4.23Å; L594-F607 HydrophobicContact CD1-CZ 4.48Å
595	F	97.3	Very high	95.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.7	-45	178	-60.6	-17.6	0	0	0	111.5	V470 L472 F475 F591 N593 R599 F607 L609 Y653	V470-F595 HydrophobicContact CG1-CE2 4.48Å; V470-F595 HydrophobicContact CG2-CE1 4.33Å; V470-F595 HydrophobicContact CG2-CE2 4.42Å; V470-F595 HydrophobicContact CG2-CZ 3.98Å; L472-F595 HydrophobicContact CD2-CB 3.62Å; L472-F595 HydrophobicContact CD2-CD1 3.99Å; L472-F595 HydrophobicContact CD2-CG 3.93Å; F475-F595 HydrophobicContact CD1-CB 3.89Å; F475-F595 HydrophobicContact CD1-CD2 4.2Å; F475-F595 HydrophobicContact CD2-CD2 4.03Å; F475-F595 HydrophobicContact CE1-CB 4Å; F475-F595 AromaticContact CE1-CD2 3.89Å; F475-F595 HydrophobicContact CE1-CD2 3.89Å; F475-F595 HydrophobicContact CE1-CG 4.49Å; F475-F595 AromaticContact CE2-CD2 3.72Å; F475-F595 HydrophobicContact CE2-CD2 3.72Å; F475-F595 HydrophobicContact CE2-CE2 4.17Å; F475-F595 HydrophobicContact CG-CB 4.41Å; F475-F595 HydrophobicContact CG-CD2 4.27Å; F475-F595 AromaticContact CZ-CD2 3.65Å; F475-F595 HydrophobicContact CZ-CD2 3.65Å; F475-F595 HydrophobicContact CZ-CE2 4.37Å; F591-F595 HydrophobicContact CB-CE1 4.2Å; F591-F595 HydrophobicContact CB-CE2 4.05Å; F591-F595 HydrophobicContact CB-CZ 3.74Å; F591-F595 AromaticContact CD1-CE1 3.88Å; F591-F595 HydrophobicContact CD1-CE1 3.88Å; F591-F595 AromaticContact CD1-CZ 3.95Å; F591-F595 HydrophobicContact CD1-CZ 3.95Å; F591-F595 HydrophobicContact CG-CE1 4.45Å; F591-F595 HydrophobicContact CG-CZ 4.14Å; F591-F595 WeakPolarHBondContact O-CB 3.47Å; F591-F595 VanDerWaalsContact O-CD1 3.24Å; F591-F595 WeakPolarHBondContact O-CD1 3.46Å; F591-F595 WeakPolarHBondContact O-CD2 3.36Å; F591-F595 WeakPolarHBondContact O-CG 3.35Å; F591-F595 PolarHBondContact O-N 2.78Å; N593-F595 VanDerWaalsContact C-N 3.33Å; N593-F595 PolarHBondContact O-N 3.23Å; F595-R599 WeakPolarHBondContact O-CB 3.26Å; F595-R599 PolarHBondContact O-N 3.22Å; F595-R599 VanDerWaalsContact O-N 3.08Å; F595-F607 HydrophobicContact CD1-CB 4.08Å; F595-F607 HydrophobicContact CD1-CD1 4.16Å; F595-F607 AromaticContact CD1-CD2 3.88Å; F595-F607 HydrophobicContact CD1-CD2 3.88Å; F595-F607 HydrophobicContact CD1-CE2 4.36Å; F595-F607 AromaticContact CD1-CG 3.77Å; F595-F607 HydrophobicContact CD1-CG 3.77Å; F595-F607 HydrophobicContact CE1-CB 4.17Å; F595-F607 AromaticContact CE1-CD1 3.56Å; F595-F607 HydrophobicContact CE1-CD1 3.56Å; F595-F607 HydrophobicContact CE1-CD2 4.09Å; F595-F607 AromaticContact CE1-CE1 3.93Å; F595-F607 HydrophobicContact CE1-CE1 3.93Å; F595-F607 HydrophobicContact CE1-CE2 4.4Å; F595-F607 AromaticContact CE1-CG 3.67Å; F595-F607 HydrophobicContact CE1-CG 3.67Å; F595-F607 HydrophobicContact CE1-CZ 4.32Å; F595-L609 HydrophobicContact CE1-CD2 4.17Å; F595-L609 HydrophobicContact CZ-CD2 3.99Å; F595-Y653 AromaticContact CE2-CD1 3.69Å; F595-Y653 HydrophobicContact CE2-CD1 3.69Å; F595-Y653 HydrophobicContact CE2-CD2 4.43Å; F595-Y653 HydrophobicContact CE2-CE1 4.21Å; F595-Y653 AromaticContact CE2-CG 3.8Å; F595-Y653 HydrophobicContact CE2-CG 3.8Å; F595-Y653 HydrophobicContact CZ-CG 4.21Å
596	Q	96.8	Very high	95.7	Very high	57 Å²	57	40.8 Å²	40.8	27%	0.266	21%	0.205	S	C	.	.	H	α-helix	trans	-65.4	-47.7	176.8	-73.9	170	83.6	0	0	111.1	I592 N593 L594 R599 D600	I592-Q596 WeakPolarHBondContact O-CG 3.14Å; I592-Q596 PolarHBondContact O-N 3.03Å; I592-Q596 PolarHBondContact O-NE2 2.85Å; N593-Q596 PolarHBondContact O-N 2.86Å; L594-Q596 PolarHBondContact O-N 2.61Å; Q596-R599 PolarHBondContact O-N 3.36Å; Q596-D600 VanDerWaalsContact O-CB 3.23Å; Q596-D600 WeakPolarHBondContact O-CB 3.38Å; Q596-D600 PolarHBondContact O-N 3.49Å
597	Y	97.4	Very high	95.9	Very high	71 Å²	71	40.6 Å²	40.6	28%	0.278	20%	0.204	S	C	.	.	H	α-helix	trans	-60	-50.5	179.5	-177	-90.1	0	0	0	112.1	F499 V501 F561 N593 L594 R599 D600 E601 M602	F499-Y597 HydrophobicContact CE1-CD2 4.26Å; F499-Y597 HydrophobicContact CE1-CG 4.35Å; V501-Y597 HydrophobicContact CB-CE1 4.36Å; V501-Y597 HydrophobicContact CB-CE2 3.99Å; V501-Y597 HydrophobicContact CG1-CE1 4.15Å; V501-Y597 HydrophobicContact CG2-CD1 4.08Å; V501-Y597 HydrophobicContact CG2-CD2 3.85Å; V501-Y597 HydrophobicContact CG2-CE1 3.93Å; V501-Y597 HydrophobicContact CG2-CE2 3.7Å; V501-Y597 HydrophobicContact CG2-CG 4.04Å; F561-Y597 HydrophobicContact CE2-CD1 4.03Å; F561-Y597 AromaticContact CE2-CE1 3.91Å; F561-Y597 HydrophobicContact CE2-CE1 3.91Å; F561-Y597 AromaticContact CZ-CD1 3.8Å; F561-Y597 HydrophobicContact CZ-CD1 3.8Å; F561-Y597 AromaticContact CZ-CE1 3.88Å; F561-Y597 HydrophobicContact CZ-CE1 3.88Å; N593-Y597 VanDerWaalsContact O-CB 3.3Å; N593-Y597 WeakPolarHBondContact O-CB 3.28Å; N593-Y597 PolarHBondContact O-N 3.36Å; L594-Y597 PolarHBondContact O-N 3.27Å; Y597-R599 VanDerWaalsContact C-N 3.3Å; Y597-R599 PolarHBondContact O-N 3.24Å; Y597-D600 PolarHBondContact O-N 3.06Å; Y597-E601 HydrophobicContact CD2-CB 4.28Å; Y597-E601 HydrophobicContact CD2-CG 3.81Å; Y597-E601 HydrophobicContact CE2-CB 4.13Å; Y597-E601 HydrophobicContact CE2-CG 3.83Å; Y597-E601 HydrophobicContact CG-CG 4.41Å; Y597-E601 WeakPolarHBondContact O-CA 3.29Å; Y597-E601 VanDerWaalsContact O-CB 3.28Å; Y597-E601 WeakPolarHBondContact O-CB 3.48Å; Y597-E601 PolarHBondContact O-N 3.31Å; Y597-M602 HydrophobicContact CD1-SD 4.37Å; Y597-M602 HydrophobicContact CE1-CG 4.25Å; Y597-M602 HydrophobicContact CE1-SD 4.04Å; Y597-M602 PolarHBondContact O-N 2.94Å
598	M	96.6	Very high	96.2	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.015	19%	0.194	C	C	.	.	H	α-helix	trans	-66.1	-32.2	179.8	-71.4	-169.9	178.7	0	0	112.5	L472 F561 I572 L594 M602 G603 I604 F607	L472-M598 HydrophobicContact CD1-CB 3.9Å; F561-M598 HydrophobicContact CD1-CE 4.5Å; F561-M598 HydrophobicContact CD2-CE 3.54Å; F561-M598 HydrophobicContact CE1-CE 4.43Å; F561-M598 HydrophobicContact CE2-CE 3.46Å; F561-M598 VanDerWaalsContact CE2-CE 3.46Å; F561-M598 HydrophobicContact CE2-CG 4.18Å; F561-M598 HydrophobicContact CG-CE 4.08Å; F561-M598 HydrophobicContact CZ-CE 3.94Å; I572-M598 HydrophobicContact CG2-CE 4.44Å; L594-M598 WeakPolarHBondContact O-CB 3.36Å; L594-M598 WeakPolarHBondContact O-CG 3.42Å; L594-M598 PolarHBondContact O-N 2.9Å; M598-M602 HydrophobicContact CG-SD 4.06Å; M598-M602 CarbonylContact O-C 3.5Å; M598-M602 WeakPolarHBondContact O-CB 3.14Å; M598-M602 PolarHBondContact O-N 3.46Å; M598-G603 PolarHBondContact O-N 2.91Å; M598-I604 HydrophobicContact CB-CB 4.15Å; M598-I604 HydrophobicContact CB-CG1 4.19Å; M598-I604 WeakPolarHBondContact O-CB 3.4Å; M598-I604 PolarHBondContact O-N 3.49Å; M598-F607 HydrophobicContact CE-CD2 4.31Å; M598-F607 HydrophobicContact CE-CE2 3.79Å; M598-F607 HydrophobicContact SD-CD2 3.42Å; M598-F607 WeakPolarHBondContact SD-CD2 3.32Å; M598-F607 HydrophobicContact SD-CE2 3.52Å; M598-F607 VanDerWaalsContact SD-CE2 3.52Å
599	R	96.5	Very high	96.2	Very high	64 Å²	64	38.5 Å²	38.5	24%	0.242	19%	0.193	C	C	.	.	H	α-helix	trans	-70.4	-53	174.3	-174.2	-173.8	66.5	-153.2	-9.8	112.1	L472 F475 F595 Q596 Y597 G603	L472-R599 HydrophobicContact CB-CB 4.06Å; L472-R599 HydrophobicContact CB-CG 4.25Å; L472-R599 HydrophobicContact CD1-CB 4.43Å; L472-R599 WeakPolarHBondContact O-CD 3.34Å; F475-R599 PolarHBondContact O-NH1 3.25Å; F595-R599 WeakPolarHBondContact O-CB 3.26Å; F595-R599 PolarHBondContact O-N 3.22Å; F595-R599 VanDerWaalsContact O-N 3.08Å; Q596-R599 PolarHBondContact O-N 3.36Å; Y597-R599 VanDerWaalsContact C-N 3.3Å; Y597-R599 PolarHBondContact O-N 3.24Å; R599-G603 WeakPolarHBondContact O-CA 3.47Å; R599-G603 PolarHBondContact O-N 2.86Å
600	D	96.4	Very high	95.9	Very high	98 Å²	98	39.1 Å²	39.1	52%	0.524	20%	0.201	S	C	.	.	H	α-helix	trans	-84.1	-39.6	-165.3	-61.1	-29	0	0	0	111.4	Q596 Y597	Q596-D600 VanDerWaalsContact O-CB 3.23Å; Q596-D600 WeakPolarHBondContact O-CB 3.38Å; Q596-D600 PolarHBondContact O-N 3.49Å; Y597-D600 PolarHBondContact O-N 3.06Å
601	E	95.4	Very high	95.5	Very high	142 Å²	142	40.4 Å²	40.4	66%	0.664	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-31.5	-177.4	-58	-63.3	152.8	0	0	113.2	Y597	Y597-E601 HydrophobicContact CD2-CB 4.28Å; Y597-E601 HydrophobicContact CD2-CG 3.81Å; Y597-E601 HydrophobicContact CE2-CB 4.13Å; Y597-E601 HydrophobicContact CE2-CG 3.83Å; Y597-E601 HydrophobicContact CG-CG 4.41Å; Y597-E601 WeakPolarHBondContact O-CA 3.29Å; Y597-E601 VanDerWaalsContact O-CB 3.28Å; Y597-E601 WeakPolarHBondContact O-CB 3.48Å; Y597-E601 PolarHBondContact O-N 3.31Å
602	M	93.5	Very high	94.8	Very high	96 Å²	96	40 Å²	40	47%	0.473	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-12.7	-176.7	-59.3	177.9	65.3	0	0	114.3	F561 Y597 M598 I604	F561-M602 HydrophobicContact CD2-SD 4.21Å; F561-M602 HydrophobicContact CE2-SD 3.71Å; Y597-M602 HydrophobicContact CD1-SD 4.37Å; Y597-M602 HydrophobicContact CE1-CG 4.25Å; Y597-M602 HydrophobicContact CE1-SD 4.04Å; Y597-M602 PolarHBondContact O-N 2.94Å; M598-M602 HydrophobicContact CG-SD 4.06Å; M598-M602 CarbonylContact O-C 3.5Å; M598-M602 WeakPolarHBondContact O-CB 3.14Å; M598-M602 PolarHBondContact O-N 3.46Å; M602-I604 VanDerWaalsContact C-N 3.3Å; M602-I604 HydrophobicContact CB-CG1 3.84Å; M602-I604 PolarHBondContact O-N 3.41Å
603	G	95.2	Very high	93.8	Very high	57 Å²	57	41.1 Å²	41.1	59%	0.588	21%	0.213	S	C	*	.			trans	67.4	25.4	-179.9	0	0	0	0	0	114.8	M598 R599	M598-G603 PolarHBondContact O-N 2.91Å; R599-G603 WeakPolarHBondContact O-CA 3.47Å; R599-G603 PolarHBondContact O-N 2.86Å
604	I	96.6	Very high	92.4	Very high	13 Å²	13	41.2 Å²	41.2	7%	0.067	21%	0.213	C	C	.	.			trans	-73.5	139.9	-179	-61.8	-62.2	0	0	0	110.7	L472 G570 M598 M602 Y606	L472-I604 HydrophobicContact CD1-CB 3.99Å; L472-I604 HydrophobicContact CD1-CG2 3.84Å; G570-I604 VanDerWaalsContact N-CG2 3.33Å; M598-I604 HydrophobicContact CB-CB 4.15Å; M598-I604 HydrophobicContact CB-CG1 4.19Å; M598-I604 WeakPolarHBondContact O-CB 3.4Å; M598-I604 PolarHBondContact O-N 3.49Å; M602-I604 VanDerWaalsContact C-N 3.3Å; M602-I604 HydrophobicContact CB-CG1 3.84Å; M602-I604 PolarHBondContact O-N 3.41Å; I604-Y606 WeakPolarHBondContact CG2-O 3.43Å
605	E	96.4	Very high	90.5	Very high	89 Å²	89	43.7 Å²	43.7	42%	0.416	23%	0.233	S	C	.	.	S	Bend	trans	-87.3	-44.4	-178.4	-168	-177.2	169.7	0	0	112.3	L472 P473 S568	L472-E605 PolarHBondContact N-O 2.86Å; P473-E605 WeakPolarHBondContact CD-O 3.41Å; S568-E605 WeakPolarHBondContact O-CB 3.46Å; S568-E605 PolarHBondContact O-N 3.3Å; S568-E605 VanDerWaalsContact O-N 3.08Å
606	Y	97.5	Very high	88.7	Confident	60 Å²	60	49.2 Å²	49.2	24%	0.235	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	142.5	-178.8	-69.5	-85.7	0	0	0	112.2	H469 V470 H471 S568 I569 G570 I604	H469-Y606 HydrophobicContact CB-CD1 4.09Å; V470-Y606 CarbonylContact O-C 3.56Å; V470-Y606 WeakPolarHBondContact O-CA 3.5Å; H471-Y606 HydrophobicContact CB-CD1 4.23Å; H471-Y606 HydrophobicContact CB-CE1 3.84Å; H471-Y606 AromaticContact CD2-CE1 3.64Å; H471-Y606 AromaticContact CD2-CZ 3.54Å; S568-Y606 PolarHBondContact O-N 3.21Å; I569-Y606 CarbonylContact C-O 3.58Å; I569-Y606 VanDerWaalsContact CA-O 3.28Å; I569-Y606 WeakPolarHBondContact CA-O 3.18Å; G570-Y606 PolarHBondContact N-O 3.48Å; I604-Y606 WeakPolarHBondContact CG2-O 3.43Å
607	F	97.5	Very high	87.2	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	124	167	-171.9	-75.8	0	0	0	110	H469 V470 L472 G570 I572 F591 L594 F595 M598 L609	H469-F607 CarbonylContact C-O 3.49Å; H469-F607 VanDerWaalsContact CA-O 3.28Å; H469-F607 WeakPolarHBondContact CA-O 3.33Å; V470-F607 HydrophobicContact CB-CB 4.31Å; V470-F607 PolarHBondContact N-O 2.79Å; V470-F607 PolarHBondContact O-N 3.03Å; L472-F607 HydrophobicContact CD1-CB 4.22Å; L472-F607 HydrophobicContact CD2-CB 3.81Å; L472-F607 HydrophobicContact CG-CB 4.1Å; G570-F607 CarbonylContact O-C 3.43Å; G570-F607 WeakPolarHBondContact O-CA 3.29Å; I572-F607 HydrophobicContact CD1-CZ 4.37Å; I572-F607 HydrophobicContact CG1-CZ 4.07Å; I572-F607 HydrophobicContact CG2-CE2 4.35Å; I572-F607 HydrophobicContact CG2-CZ 4Å; F591-F607 HydrophobicContact CD1-CE1 4.24Å; F591-F607 HydrophobicContact CD1-CZ 4.36Å; F591-F607 HydrophobicContact CE1-CE1 4.04Å; F591-F607 HydrophobicContact CE1-CZ 4.28Å; L594-F607 HydrophobicContact CB-CE2 4.23Å; L594-F607 HydrophobicContact CD1-CZ 4.48Å; F595-F607 HydrophobicContact CD1-CB 4.08Å; F595-F607 HydrophobicContact CD1-CD1 4.16Å; F595-F607 AromaticContact CD1-CD2 3.88Å; F595-F607 HydrophobicContact CD1-CD2 3.88Å; F595-F607 HydrophobicContact CD1-CE2 4.36Å; F595-F607 AromaticContact CD1-CG 3.77Å; F595-F607 HydrophobicContact CD1-CG 3.77Å; F595-F607 HydrophobicContact CE1-CB 4.17Å; F595-F607 AromaticContact CE1-CD1 3.56Å; F595-F607 HydrophobicContact CE1-CD1 3.56Å; F595-F607 HydrophobicContact CE1-CD2 4.09Å; F595-F607 AromaticContact CE1-CE1 3.93Å; F595-F607 HydrophobicContact CE1-CE1 3.93Å; F595-F607 HydrophobicContact CE1-CE2 4.4Å; F595-F607 AromaticContact CE1-CG 3.67Å; F595-F607 HydrophobicContact CE1-CG 3.67Å; F595-F607 HydrophobicContact CE1-CZ 4.32Å; M598-F607 HydrophobicContact CE-CD2 4.31Å; M598-F607 HydrophobicContact CE-CE2 3.79Å; M598-F607 HydrophobicContact SD-CD2 3.42Å; M598-F607 WeakPolarHBondContact SD-CD2 3.32Å; M598-F607 HydrophobicContact SD-CE2 3.52Å; M598-F607 VanDerWaalsContact SD-CE2 3.52Å; F607-L609 HydrophobicContact CD1-CD2 3.96Å; F607-L609 HydrophobicContact CD1-CG 4.14Å; F607-L609 HydrophobicContact CE1-CD2 3.8Å; F607-L609 HydrophobicContact CE1-CG 4.36Å
608	D	96.1	Very high	85.6	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	118.1	173.2	175.6	23.1	0	0	0	111	R467 H469 I569 G570 T571 G610	R467-D608 IonicContact CZ-OD2 3.36Å; R467-D608 IonicContact NE-OD1 3.16Å; R467-D608 PolarHBondContact NE-OD1 2.75Å; R467-D608 IonicContact NE-OD2 3.8Å; R467-D608 PolarHBondContact NE-OD2 2.65Å; R467-D608 IonicContact NH2-OD2 2.87Å; R467-D608 PolarHBondContact NH2-OD2 3.2Å; H469-D608 IonicContact CD2-OD1 3.79Å; I569-D608 HydrophobicContact CD1-CB 3.88Å; I569-D608 HydrophobicContact CG1-CB 4.16Å; G570-D608 PolarHBondContact O-N 2.98Å; T571-D608 PolarHBondContact OG1-O 3.35Å; D608-G610 PolarHBondContact O-N 2.76Å; D608-G610 WeakPolarHBondContact OD1-CA 3.16Å; D608-G610 PolarHBondContact OD1-N 2.55Å
609	L	93.2	Very high	83.9	Confident	17 Å²	17	48 Å²	48	9%	0.089	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	2.6	176.5	-69.8	167.6	0	0	0	113.1	A468 V470 F591 F595 F607 K650	A468-L609 HydrophobicContact CB-CB 4.05Å; A468-L609 HydrophobicContact CB-CD1 4.15Å; A468-L609 WeakPolarHBondContact O-CB 3.43Å; A468-L609 PolarHBondContact O-N 3.49Å; V470-L609 HydrophobicContact CG2-CD1 3.61Å; V470-L609 HydrophobicContact CG2-CG 4.06Å; F591-L609 HydrophobicContact CD1-CD2 3.69Å; F591-L609 HydrophobicContact CE1-CD2 3.39Å; F591-L609 HydrophobicContact CG-CD2 4.43Å; F591-L609 HydrophobicContact CZ-CD2 3.9Å; F595-L609 HydrophobicContact CE1-CD2 4.17Å; F595-L609 HydrophobicContact CZ-CD2 3.99Å; F607-L609 HydrophobicContact CD1-CD2 3.96Å; F607-L609 HydrophobicContact CD1-CG 4.14Å; F607-L609 HydrophobicContact CE1-CD2 3.8Å; F607-L609 HydrophobicContact CE1-CG 4.36Å; L609-K650 HydrophobicContact CB-CD 4.16Å; L609-K650 HydrophobicContact CB-CG 4.19Å; L609-K650 HydrophobicContact CD1-CB 4.24Å; L609-K650 HydrophobicContact CD1-CG 4.34Å; L609-K650 WeakPolarHBondContact O-CE 3.43Å; L609-K650 PolarHBondContact O-NZ 3.28Å
610	G	89.1	Confident	82.6	Confident	16 Å²	16	47.9 Å²	47.9	17%	0.165	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	79.3	-179.4	-177.1	0	0	0	0	0	113.2	D608 K650	D608-G610 PolarHBondContact O-N 2.76Å; D608-G610 WeakPolarHBondContact OD1-CA 3.16Å; D608-G610 PolarHBondContact OD1-N 2.55Å; G610-K650 PolarHBondContact O-NZ 3.25Å
611	M	86.8	Confident	81.2	Confident	29 Å²	29	54.3 Å²	54.3	14%	0.143	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	141.6	-175	-171.8	67.7	70.4	0	0	113.9	E445 F464 E466 R467 K650 K660	E445-M611 HydrophobicContact CB-CE 3.7Å; E445-M611 HydrophobicContact CG-CE 3.7Å; E445-M611 WeakPolarHBondContact OE2-CE 3.28Å; F464-M611 HydrophobicContact CE1-CG 4.44Å; E466-M611 PolarHBondContact N-SD 3.42Å; R467-M611 HydrophobicContact CG-CE 4.18Å; R467-M611 HydrophobicContact CG-SD 4.33Å; M611-K650 PolarHBondContact O-NZ 3.41Å; M611-K660 HydrophobicContact CE-CB 3.36Å; M611-K660 HydrophobicContact CE-CG 3.44Å; M611-K660 VanDerWaalsContact CE-CG 3.44Å; M611-K660 HydrophobicContact SD-CB 3.87Å; M611-K660 HydrophobicContact SD-CG 4.09Å
612	A	82.8	Confident	80.3	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.008	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	111.7	159.2	0	0	0	0	0	109	G465 E466 K647 K650 W657	G465-A612 WeakPolarHBondContact CA-O 3.5Å; E466-A612 PolarHBondContact N-O 2.87Å; E466-A612 PolarHBondContact O-N 3.13Å; A612-K647 HydrophobicContact CB-CB 4.32Å; A612-K650 HydrophobicContact CB-CD 4.49Å; A612-W657 HydrophobicContact CB-CH2 3.95Å; A612-W657 HydrophobicContact CB-CZ3 3.64Å
613	P	75.2	Confident	79.3	Confident	25 Å²	25	53.3 Å²	53.3	16%	0.162	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	140.1	175.8	-26.4	37.1	0	0	0	111.6	F464 A615 F643	F464-P613 HydrophobicContact CE1-CB 4.38Å; F464-P613 HydrophobicContact CE1-CG 4.25Å; P613-A615 PolarHBondContact O-N 3.11Å; P613-F643 HydrophobicContact CB-CD1 3.77Å; P613-F643 HydrophobicContact CB-CE1 4Å; P613-F643 HydrophobicContact CB-CG 4.31Å; P613-F643 HydrophobicContact CG-CD1 3.57Å; P613-F643 HydrophobicContact CG-CE1 3.63Å
614	L	67.7	Low	78.4	Confident	28 Å²	28	57.5 Å²	57.5	15%	0.147	29%	0.29	C	S	.	.			trans	-81.6	109.6	-178.9	-77.4	175.1	0	0	0	111.2	K463 F464 E466 N616 V617	K463-L614 HydrophobicContact CB-CD1 4.48Å; K463-L614 HydrophobicContact CD-CD1 3.39Å; K463-L614 VanDerWaalsContact CE-CD1 3.45Å; K463-L614 HydrophobicContact CG-CD1 3.7Å; F464-L614 PolarHBondContact O-N 2.65Å; E466-L614 HydrophobicContact CG-CD1 4.23Å; E466-L614 HydrophobicContact CG-CD2 4.16Å; E466-L614 HydrophobicContact CG-CG 4.23Å; L614-N616 PolarHBondContact O-N 3.24Å; L614-V617 HydrophobicContact CB-CG2 3.61Å; L614-V617 HydrophobicContact CD1-CG2 3.83Å; L614-V617 HydrophobicContact CG-CG2 4.41Å
615	A	56.6	Low	77.1	Confident	51 Å²	51	61.8 Å²	61.8	42%	0.421	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-14.8	170.1	0	0	0	0	0	113.5	P613 Y631	P613-A615 PolarHBondContact O-N 3.11Å; A615-Y631 WeakPolarHBondContact O-CE2 3.22Å
616	N	59.1	Low	76	Confident	117 Å²	117	60.9 Å²	60.9	63%	0.626	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-3.9	-170	-64.9	-25.7	0	0	0	114.8	L614 T619	L614-N616 PolarHBondContact O-N 3.24Å; N616-T619 WeakPolarHBondContact O-CB 3.16Å; N616-T619 WeakPolarHBondContact O-CG2 3.34Å; N616-T619 PolarHBondContact O-N 3.01Å; N616-T619 PolarHBondContact O-OG1 2.72Å
617	V	66	Low	74.9	Confident	20 Å²	20	60.4 Å²	60.4	12%	0.121	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	136.3	175.8	174	0	0	0	0	109.1	K463 L614 T619 E627 Y631	K463-V617 HydrophobicContact CB-CG2 4.49Å; K463-V617 VanDerWaalsContact O-CG2 3.24Å; K463-V617 WeakPolarHBondContact O-CG2 3.41Å; L614-V617 HydrophobicContact CB-CG2 3.61Å; L614-V617 HydrophobicContact CD1-CG2 3.83Å; L614-V617 HydrophobicContact CG-CG2 4.41Å; V617-T619 VanDerWaalsContact C-N 3.25Å; V617-T619 PolarHBondContact O-N 3.26Å; V617-E627 HydrophobicContact CG1-CB 4.08Å; V617-E627 HydrophobicContact CG1-CG 4.21Å; V617-Y631 WeakPolarHBondContact O-CB 3.48Å; V617-Y631 WeakPolarHBondContact O-CD2 3.36Å
618	G	64.1	Low	73.7	Confident	6 Å²	6	65.4 Å²	65.4	6%	0.062	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	0.3	179.7	0	0	0	0	0	116.1	S623	G618-S623 WeakPolarHBondContact CA-OG 3.13Å
619	T	60.5	Low	72.6	Confident	78 Å²	78	68.9 Å²	68.9	48%	0.479	35%	0.349	S	S	.	.			trans	-76.5	-23.6	-178.5	58.9	0	0	0	0	113.7	N616 V617 Y631	N616-T619 WeakPolarHBondContact O-CB 3.16Å; N616-T619 WeakPolarHBondContact O-CG2 3.34Å; N616-T619 PolarHBondContact O-N 3.01Å; N616-T619 PolarHBondContact O-OG1 2.72Å; V617-T619 VanDerWaalsContact C-N 3.25Å; V617-T619 PolarHBondContact O-N 3.26Å; T619-Y631 HydrophobicContact CG2-CD2 4.07Å; T619-Y631 HydrophobicContact CG2-CE2 3.57Å
620	S	70.1	Confident	71.5	Confident	63 Å²	63	68 Å²	68	44%	0.441	35%	0.345	S	S	.	.	S	Bend	trans	-69.3	142.3	-179.7	178.5	0	0	0	0	111.4	K622 S623 R628	S620-K622 PolarHBondContact O-N 3.38Å; S620-K622 VanDerWaalsContact O-N 3.11Å; S620-K622 PolarHBondContact OG-N 3.4Å; S620-S623 WeakPolarHBondContact CB-OG 3.34Å; S620-S623 WeakPolarHBondContact O-CB 3.26Å; S620-S623 PolarHBondContact O-N 3.27Å; S620-R628 PolarHBondContact O-NH2 3.31Å
621	R	66.6	Low	70.8	Confident	232 Å²	232	71.2 Å²	71.2	88%	0.875	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.4	174.5	-168.6	175.7	178.1	-174.7	0.5	112.2	R628	R621-R628 VanDerWaalsContact C-NH2 3.32Å; R621-R628 PolarHBondContact O-NH2 2.93Å
622	K	76.1	Confident	69.9	Low	196 Å²	196	74.1 Å²	74.1	85%	0.852	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	2.3	177.3	-65.4	-170.6	178.2	-176.7	0	114.1	S620	S620-K622 PolarHBondContact O-N 3.38Å; S620-K622 VanDerWaalsContact O-N 3.11Å; S620-K622 PolarHBondContact OG-N 3.4Å
623	S	72.9	Confident	69.3	Low	22 Å²	22	75.4 Å²	75.4	15%	0.154	38%	0.376	C	S	.	.			trans	-57	144	174.6	-83.8	0	0	0	0	111.3	G618 S620 E627	G618-S623 WeakPolarHBondContact CA-OG 3.13Å; S620-S623 WeakPolarHBondContact CB-OG 3.34Å; S620-S623 WeakPolarHBondContact O-CB 3.26Å; S620-S623 PolarHBondContact O-N 3.27Å; S623-E627 WeakPolarHBondContact CB-OE2 3.35Å; S623-E627 PolarHBondContact OG-OE2 3.03Å
624	F	74.6	Confident	68.8	Low	145 Å²	145	76.3 Å²	76.3	64%	0.636	38%	0.377	S	S	*	.			trans	-59	152.5	176	-66.4	-74.9	0	0	0	111	Q626 E627 R628	F624-Q626 PolarHBondContact O-N 2.94Å; F624-E627 HydrophobicContact CB-CG 4.37Å; F624-E627 PolarHBondContact O-N 2.96Å; F624-R628 PolarHBondContact O-N 3.09Å
625	T	70.8	Confident	68.8	Low	103 Å²	103	78.2 Å²	78.2	63%	0.632	39%	0.387	S	S	*	.	H	α-helix	trans	-60.1	-33	178.7	42.6	0	0	0	0	111.9	R628 I629	T625-R628 PolarHBondContact O-N 2.92Å; T625-I629 WeakPolarHBondContact O-CG1 3.14Å; T625-I629 PolarHBondContact O-N 2.85Å
626	Q	73.6	Confident	69.1	Low	69 Å²	69	83.7 Å²	83.7	32%	0.322	40%	0.402	S	S	.	.	H	α-helix	trans	-63.3	-44.8	176	-62.5	112	-27.5	0	0	112	F624 R628 I629 A630 I670	F624-Q626 PolarHBondContact O-N 2.94Å; Q626-R628 VanDerWaalsContact C-N 3.28Å; Q626-R628 PolarHBondContact O-N 2.95Å; Q626-I629 PolarHBondContact O-N 3.14Å; Q626-A630 PolarHBondContact O-N 2.73Å; Q626-I670 HydrophobicContact CB-CB 4.42Å; Q626-I670 HydrophobicContact CB-CG2 3.93Å; Q626-I670 HydrophobicContact CG-CG2 4.09Å
627	E	74.1	Confident	69	Low	50 Å²	50	78.7 Å²	78.7	23%	0.234	38%	0.377	C	S	.	.	H	α-helix	trans	-62	-36.7	177.2	-64.2	179.3	176.5	0	0	112	V617 S623 F624 A630 Y631	V617-E627 HydrophobicContact CG1-CB 4.08Å; V617-E627 HydrophobicContact CG1-CG 4.21Å; S623-E627 WeakPolarHBondContact CB-OE2 3.35Å; S623-E627 PolarHBondContact OG-OE2 3.03Å; F624-E627 HydrophobicContact CB-CG 4.37Å; F624-E627 PolarHBondContact O-N 2.96Å; E627-A630 PolarHBondContact O-N 3.18Å; E627-Y631 WeakPolarHBondContact O-CB 3.3Å; E627-Y631 PolarHBondContact O-N 3.36Å
628	R	72.4	Confident	68.3	Low	105 Å²	105	79.5 Å²	79.5	40%	0.396	38%	0.384	S	S	.	.	H	α-helix	trans	-67	-40.1	175.5	-72.1	-175.6	170.2	-176.8	4.5	112.5	S620 R621 F624 T625 Q626 A630 Y631 L632	S620-R628 PolarHBondContact O-NH2 3.31Å; R621-R628 VanDerWaalsContact C-NH2 3.32Å; R621-R628 PolarHBondContact O-NH2 2.93Å; F624-R628 PolarHBondContact O-N 3.09Å; T625-R628 PolarHBondContact O-N 2.92Å; Q626-R628 VanDerWaalsContact C-N 3.28Å; Q626-R628 PolarHBondContact O-N 2.95Å; R628-A630 VanDerWaalsContact C-N 3.34Å; R628-Y631 WeakPolarHBondContact O-CB 3.48Å; R628-Y631 PolarHBondContact O-N 2.87Å; R628-L632 VanDerWaalsContact O-CG 3.29Å; R628-L632 WeakPolarHBondContact O-CG 3.19Å; R628-L632 PolarHBondContact O-N 3.23Å
629	I	72.5	Confident	67.6	Low	73 Å²	73	90.5 Å²	90.5	37%	0.374	42%	0.424	S	S	.	.	H	α-helix	trans	-64.2	-44.8	175.2	-68.1	166.4	0	0	0	109.4	T625 Q626 Y631 L632 V633 I670	T625-I629 WeakPolarHBondContact O-CG1 3.14Å; T625-I629 PolarHBondContact O-N 2.85Å; Q626-I629 PolarHBondContact O-N 3.14Å; I629-Y631 PolarHBondContact O-N 2.8Å; I629-L632 PolarHBondContact O-N 2.97Å; I629-V633 HydrophobicContact CG2-CG2 4.41Å; I629-V633 WeakPolarHBondContact O-CG2 3.16Å; I629-V633 PolarHBondContact O-N 3.33Å; I629-I670 HydrophobicContact CB-CG2 4.04Å; I629-I670 HydrophobicContact CD1-CG2 4.24Å; I629-I670 HydrophobicContact CG2-CG2 3.94Å
630	A	70.9	Confident	67.1	Low	0 Å²	0	93.6 Å²	93.6	0%	0	43%	0.431	C	S	.	.	H	α-helix	trans	-56.7	-52.4	174.4	0	0	0	0	0	110.6	I462 Q626 E627 R628 L632 V633 Y634 M674	I462-A630 HydrophobicContact CD1-CB 3.78Å; Q626-A630 PolarHBondContact O-N 2.73Å; E627-A630 PolarHBondContact O-N 3.18Å; R628-A630 VanDerWaalsContact C-N 3.34Å; A630-L632 VanDerWaalsContact C-N 3.3Å; A630-L632 PolarHBondContact O-N 2.88Å; A630-V633 PolarHBondContact O-N 3.26Å; A630-V633 VanDerWaalsContact O-N 3.12Å; A630-Y634 HydrophobicContact CB-CD2 4.48Å; A630-Y634 HydrophobicContact CB-CE2 4.27Å; A630-Y634 WeakPolarHBondContact O-CD2 3.46Å; A630-Y634 PolarHBondContact O-N 3.12Å; A630-M674 HydrophobicContact CB-CG 4.23Å; A630-M674 HydrophobicContact CB-SD 4.38Å
631	Y	73.5	Confident	66.1	Low	83 Å²	83	94.7 Å²	94.7	33%	0.325	43%	0.426	S	S	.	.	H	α-helix	trans	-52.2	-44.1	175.5	178	-103.4	0	0	0	113.2	A615 V617 T619 E627 R628 I629 N635	A615-Y631 WeakPolarHBondContact O-CE2 3.22Å; V617-Y631 WeakPolarHBondContact O-CB 3.48Å; V617-Y631 WeakPolarHBondContact O-CD2 3.36Å; T619-Y631 HydrophobicContact CG2-CD2 4.07Å; T619-Y631 HydrophobicContact CG2-CE2 3.57Å; E627-Y631 WeakPolarHBondContact O-CB 3.3Å; E627-Y631 PolarHBondContact O-N 3.36Å; R628-Y631 WeakPolarHBondContact O-CB 3.48Å; R628-Y631 PolarHBondContact O-N 2.87Å; I629-Y631 PolarHBondContact O-N 2.8Å; Y631-N635 WeakPolarHBondContact CD1-ND2 3.27Å; Y631-N635 WeakPolarHBondContact CD2-ND2 3.41Å; Y631-N635 WeakPolarHBondContact CE1-ND2 3.37Å; Y631-N635 WeakPolarHBondContact CE2-ND2 3.24Å; Y631-N635 WeakPolarHBondContact O-CB 3.47Å; Y631-N635 PolarHBondContact O-N 3.07Å; Y631-N635 PolarHBondContact O-ND2 3.06Å; Y631-N635 PolarHBondContact OH-ND2 3.43Å
632	L	68.2	Low	65.5	Low	90 Å²	90	88.2 Å²	88.2	47%	0.471	42%	0.416	S	S	.	.	H	α-helix	trans	-64.2	-50.6	176.9	-73	171.8	0	0	0	111.1	R628 I629 A630 Y634 N635 F636	R628-L632 VanDerWaalsContact O-CG 3.29Å; R628-L632 WeakPolarHBondContact O-CG 3.19Å; R628-L632 PolarHBondContact O-N 3.23Å; I629-L632 PolarHBondContact O-N 2.97Å; A630-L632 VanDerWaalsContact C-N 3.3Å; A630-L632 PolarHBondContact O-N 2.88Å; L632-Y634 VanDerWaalsContact C-N 3.26Å; L632-Y634 PolarHBondContact O-N 3.17Å; L632-N635 PolarHBondContact O-N 3.04Å; L632-F636 HydrophobicContact CB-CD2 4.48Å; L632-F636 HydrophobicContact CB-CE2 4.41Å; L632-F636 HydrophobicContact CD2-CE2 4.32Å; L632-F636 WeakPolarHBondContact O-CD2 3.47Å; L632-F636 PolarHBondContact O-N 3.14Å
633	V	68.8	Low	64.8	Low	28 Å²	28	80.8 Å²	80.8	17%	0.17	38%	0.384	C	S	.	.	H	α-helix	trans	-57.8	-41.5	179	177.4	0	0	0	0	110.7	I629 A630 F636 G637 M674 L678	I629-V633 HydrophobicContact CG2-CG2 4.41Å; I629-V633 WeakPolarHBondContact O-CG2 3.16Å; I629-V633 PolarHBondContact O-N 3.33Å; A630-V633 PolarHBondContact O-N 3.26Å; A630-V633 VanDerWaalsContact O-N 3.12Å; V633-F636 PolarHBondContact O-N 3.1Å; V633-G637 PolarHBondContact O-N 2.91Å; V633-M674 HydrophobicContact CB-CB 4.03Å; V633-M674 HydrophobicContact CG1-CB 3.71Å; V633-M674 HydrophobicContact CG2-CB 4.22Å; V633-L678 HydrophobicContact CG1-CD1 4.14Å
634	Y	66.2	Low	64.3	Low	43 Å²	43	81.6 Å²	81.6	17%	0.169	40%	0.395	C	S	.	.	H	α-helix	trans	-64.7	-45.9	174.4	-78	-69.7	0	0	0	113.8	F464 A630 L632 F636 G637 S638 M674	F464-Y634 AromaticContact CD2-CZ 3.89Å; F464-Y634 WeakPolarHBondContact CD2-OH 3.34Å; F464-Y634 AromaticContact CE2-CE1 3.84Å; F464-Y634 HydrophobicContact CE2-CE1 3.84Å; F464-Y634 AromaticContact CE2-CZ 3.59Å; F464-Y634 WeakPolarHBondContact CE2-OH 3.21Å; F464-Y634 WeakPolarHBondContact CG-OH 3.34Å; F464-Y634 HydrophobicContact CZ-CE1 4.1Å; F464-Y634 WeakPolarHBondContact CZ-OH 3.44Å; A630-Y634 HydrophobicContact CB-CD2 4.48Å; A630-Y634 HydrophobicContact CB-CE2 4.27Å; A630-Y634 WeakPolarHBondContact O-CD2 3.46Å; A630-Y634 PolarHBondContact O-N 3.12Å; L632-Y634 VanDerWaalsContact C-N 3.26Å; L632-Y634 PolarHBondContact O-N 3.17Å; Y634-F636 VanDerWaalsContact C-N 3.25Å; Y634-F636 PolarHBondContact O-N 3.04Å; Y634-G637 CarbonylContact O-C 3.56Å; Y634-G637 WeakPolarHBondContact O-CA 3.27Å; Y634-G637 PolarHBondContact O-N 2.86Å; Y634-S638 WeakPolarHBondContact O-CA 3.39Å; Y634-S638 WeakPolarHBondContact O-CB 3.48Å; Y634-S638 PolarHBondContact O-N 3Å; Y634-M674 HydrophobicContact CD2-CE 4.08Å; Y634-M674 HydrophobicContact CE1-CE 3.89Å; Y634-M674 HydrophobicContact CE2-CE 3.31Å; Y634-M674 VanDerWaalsContact OH-CE 3.3Å; Y634-M674 WeakPolarHBondContact OH-CE 3.47Å
635	N	67	Low	64.2	Low	68 Å²	68	76.6 Å²	76.6	36%	0.364	39%	0.385	S	S	.	.	H	α-helix	trans	-67.2	-30.6	-179.2	-78.5	-52.7	0	0	0	112.4	Y631 L632 G637 S638	Y631-N635 WeakPolarHBondContact CD1-ND2 3.27Å; Y631-N635 WeakPolarHBondContact CD2-ND2 3.41Å; Y631-N635 WeakPolarHBondContact CE1-ND2 3.37Å; Y631-N635 WeakPolarHBondContact CE2-ND2 3.24Å; Y631-N635 WeakPolarHBondContact O-CB 3.47Å; Y631-N635 PolarHBondContact O-N 3.07Å; Y631-N635 PolarHBondContact O-ND2 3.06Å; Y631-N635 PolarHBondContact OH-ND2 3.43Å; L632-N635 PolarHBondContact O-N 3.04Å; N635-G637 VanDerWaalsContact C-N 3.32Å; N635-S638 PolarHBondContact O-OG 2.83Å
636	F	62.8	Low	64.5	Low	167 Å²	167	75 Å²	75	73%	0.732	37%	0.373	S	S	*	.	H	α-helix	trans	-71.2	-30.8	170.1	-73.1	-64.9	0	0	0	111.8	L632 V633 Y634	L632-F636 HydrophobicContact CB-CD2 4.48Å; L632-F636 HydrophobicContact CB-CE2 4.41Å; L632-F636 HydrophobicContact CD2-CE2 4.32Å; L632-F636 WeakPolarHBondContact O-CD2 3.47Å; L632-F636 PolarHBondContact O-N 3.14Å; V633-F636 PolarHBondContact O-N 3.1Å; Y634-F636 VanDerWaalsContact C-N 3.25Å; Y634-F636 PolarHBondContact O-N 3.04Å
637	G	58.1	Low	64.7	Low	11 Å²	11	74.4 Å²	74.4	11%	0.113	37%	0.369	C	S	.	.	H	α-helix	trans	-80.4	-24.3	173	0	0	0	0	0	115.5	V633 Y634 N635 R639 F640	V633-G637 PolarHBondContact O-N 2.91Å; Y634-G637 CarbonylContact O-C 3.56Å; Y634-G637 WeakPolarHBondContact O-CA 3.27Å; Y634-G637 PolarHBondContact O-N 2.86Å; N635-G637 VanDerWaalsContact C-N 3.32Å; G637-R639 PolarHBondContact O-N 2.94Å; G637-R639 VanDerWaalsContact O-N 3.11Å; G637-F640 WeakPolarHBondContact O-CB 3.42Å; G637-F640 WeakPolarHBondContact O-CD2 3.23Å; G637-F640 PolarHBondContact O-N 2.89Å
638	S	50.3	Low	65.1	Low	38 Å²	38	78.9 Å²	78.9	27%	0.266	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-71.4	-10.9	-172.2	67.7	0	0	0	0	113	Y634 N635 F640 Y641	Y634-S638 WeakPolarHBondContact O-CA 3.39Å; Y634-S638 WeakPolarHBondContact O-CB 3.48Å; Y634-S638 PolarHBondContact O-N 3Å; N635-S638 PolarHBondContact O-OG 2.83Å; S638-F640 PolarHBondContact O-N 2.87Å; S638-Y641 CarbonylContact O-C 3.55Å; S638-Y641 PolarHBondContact O-N 2.81Å
639	R	49	Very low	65.7	Low	237 Å²	237	76.7 Å²	76.7	89%	0.894	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-52.7	-16.9	163.4	-133.5	179	-172.9	176.7	1.8	112.4	G637	G637-R639 PolarHBondContact O-N 2.94Å; G637-R639 VanDerWaalsContact O-N 3.11Å
640	F	49.6	Very low	66.5	Low	142 Å²	142	74.2 Å²	74.2	62%	0.623	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-100.7	-11.1	175.2	-55.1	-68.6	0	0	0	115.3	G637 S638	G637-F640 WeakPolarHBondContact O-CB 3.42Å; G637-F640 WeakPolarHBondContact O-CD2 3.23Å; G637-F640 PolarHBondContact O-N 2.89Å; S638-F640 PolarHBondContact O-N 2.87Å
641	Y	49.9	Very low	67.4	Low	87 Å²	87	78 Å²	78	34%	0.341	39%	0.389	S	S	.	.			trans	-150.6	130	-179.8	-91.1	-77.2	0	0	0	113.8	L532 S638 F643 L646	L532-Y641 WeakPolarHBondContact CD1-OH 3.46Å; S638-Y641 CarbonylContact O-C 3.55Å; S638-Y641 PolarHBondContact O-N 2.81Å; Y641-F643 VanDerWaalsContact CB-CE1 3.44Å; Y641-F643 HydrophobicContact CD2-CE1 4.37Å; Y641-F643 HydrophobicContact CD2-CZ 4.39Å; Y641-F643 AromaticContact CG-CE1 3.94Å; Y641-F643 HydrophobicContact CG-CE1 3.94Å; Y641-F643 HydrophobicContact CG-CZ 4.16Å; Y641-F643 WeakPolarHBondContact O-CD2 3.36Å; Y641-F643 PolarHBondContact O-N 2.97Å; Y641-L646 HydrophobicContact CD1-CD1 4.45Å
642	S	54.9	Low	68.2	Low	95 Å²	95	77.7 Å²	77.7	66%	0.664	39%	0.389	S	S	*	.			trans	-86.6	75	172.9	61	0	0	0	0	112.1	G644 G645	S642-G644 VanDerWaalsContact C-N 3.34Å; S642-G644 PolarHBondContact O-N 3.39Å; S642-G645 PolarHBondContact O-N 3.49Å
643	F	61.6	Low	69.4	Low	40 Å²	40	74 Å²	74	18%	0.175	37%	0.369	C	S	.	.	H	α-helix	trans	-59.4	-35.9	-172.9	-58.2	-67.7	0	0	0	115	P613 Y641 G645 L646 K647	P613-F643 HydrophobicContact CB-CD1 3.77Å; P613-F643 HydrophobicContact CB-CE1 4Å; P613-F643 HydrophobicContact CB-CG 4.31Å; P613-F643 HydrophobicContact CG-CD1 3.57Å; P613-F643 HydrophobicContact CG-CE1 3.63Å; Y641-F643 VanDerWaalsContact CB-CE1 3.44Å; Y641-F643 HydrophobicContact CD2-CE1 4.37Å; Y641-F643 HydrophobicContact CD2-CZ 4.39Å; Y641-F643 AromaticContact CG-CE1 3.94Å; Y641-F643 HydrophobicContact CG-CE1 3.94Å; Y641-F643 HydrophobicContact CG-CZ 4.16Å; Y641-F643 WeakPolarHBondContact O-CD2 3.36Å; Y641-F643 PolarHBondContact O-N 2.97Å; F643-G645 PolarHBondContact O-N 3.49Å; F643-L646 PolarHBondContact O-N 3.05Å; F643-K647 PolarHBondContact O-N 3.07Å
644	G	62.1	Low	70.5	Confident	39 Å²	39	73.6 Å²	73.6	40%	0.402	37%	0.369	S	S	.	.	H	α-helix	trans	-60.5	-43.4	-179.6	0	0	0	0	0	113.3	S642 L646 K647 E648	S642-G644 VanDerWaalsContact C-N 3.34Å; S642-G644 PolarHBondContact O-N 3.39Å; G644-L646 VanDerWaalsContact C-N 3.32Å; G644-L646 PolarHBondContact O-N 3.13Å; G644-K647 PolarHBondContact O-N 2.97Å; G644-E648 WeakPolarHBondContact O-CG 3.34Å; G644-E648 PolarHBondContact O-N 3.13Å
645	G	72.2	Confident	71.7	Confident	41 Å²	41	76.2 Å²	76.2	42%	0.423	39%	0.386	S	S	.	.	H	α-helix	trans	-67.9	-30.4	-179.7	0	0	0	0	0	113.6	S642 F643 Y649	S642-G645 PolarHBondContact O-N 3.49Å; F643-G645 PolarHBondContact O-N 3.49Å; G645-Y649 WeakPolarHBondContact O-CB 3.44Å; G645-Y649 PolarHBondContact O-N 2.97Å
646	L	75.8	Confident	72.8	Confident	70 Å²	70	76 Å²	76	37%	0.366	38%	0.382	S	S	.	.	H	α-helix	trans	-65.7	-44	174.1	-86.2	139.1	0	0	0	111.5	Y641 F643 G644 Y649 K650	Y641-L646 HydrophobicContact CD1-CD1 4.45Å; F643-L646 PolarHBondContact O-N 3.05Å; G644-L646 VanDerWaalsContact C-N 3.32Å; G644-L646 PolarHBondContact O-N 3.13Å; L646-Y649 PolarHBondContact O-N 3.35Å; L646-K650 WeakPolarHBondContact O-CG 3.24Å; L646-K650 PolarHBondContact O-N 3.41Å; L646-K650 VanDerWaalsContact O-N 3.14Å
647	K	79.9	Confident	74.2	Confident	56 Å²	56	70.9 Å²	70.9	24%	0.243	36%	0.358	C	S	.	.	H	α-helix	trans	-64.7	-48.8	177.2	-178.4	160.5	-177.7	160.9	0	111.5	E466 A612 F643 G644 Y649 K650 D651 W657	E466-K647 IonicContact OE2-NZ 3.34Å; E466-K647 PolarHBondContact OE2-NZ 3.4Å; A612-K647 HydrophobicContact CB-CB 4.32Å; F643-K647 PolarHBondContact O-N 3.07Å; G644-K647 PolarHBondContact O-N 2.97Å; K647-Y649 VanDerWaalsContact C-N 3.25Å; K647-Y649 PolarHBondContact O-N 3.34Å; K647-K650 PolarHBondContact O-N 2.89Å; K647-K650 VanDerWaalsContact O-N 3.09Å; K647-D651 PolarHBondContact O-N 2.93Å; K647-W657 HydrophobicContact CB-CH2 4.43Å; K647-W657 HydrophobicContact CD-CH2 4.41Å; K647-W657 HydrophobicContact CG-CH2 3.8Å; K647-W657 HydrophobicContact CG-CZ2 3.93Å
648	E	82	Confident	75.8	Confident	143 Å²	143	73.6 Å²	73.6	67%	0.668	37%	0.37	S	S	*	.	H	α-helix	trans	-58.4	-36.2	177.3	-72.7	175.7	-174.2	0	0	112.8	G644	G644-E648 WeakPolarHBondContact O-CG 3.34Å; G644-E648 PolarHBondContact O-N 3.13Å
649	Y	85	Confident	77.7	Confident	60 Å²	60	73 Å²	73	24%	0.235	37%	0.365	C	S	.	.	H	α-helix	trans	-66.8	-44.2	175.6	-175.6	-85.4	0	0	0	111.9	M587 D588 F591 G645 L646 K647 K652 Y653	M587-Y649 VanDerWaalsContact C-OH 3.27Å; M587-Y649 HydrophobicContact CB-CE2 4.5Å; M587-Y649 WeakPolarHBondContact CB-OH 3.37Å; D588-Y649 PolarHBondContact N-OH 2.75Å; D588-Y649 PolarHBondContact OD1-OH 2.61Å; F591-Y649 AromaticContact CD2-CE1 3.94Å; F591-Y649 HydrophobicContact CD2-CE1 3.94Å; F591-Y649 AromaticContact CE2-CE1 3.74Å; F591-Y649 HydrophobicContact CE2-CE1 3.74Å; G645-Y649 WeakPolarHBondContact O-CB 3.44Å; G645-Y649 PolarHBondContact O-N 2.97Å; L646-Y649 PolarHBondContact O-N 3.35Å; K647-Y649 VanDerWaalsContact C-N 3.25Å; K647-Y649 PolarHBondContact O-N 3.34Å; Y649-K652 HydrophobicContact CD2-CD 4.46Å; Y649-K652 VanDerWaalsContact CD2-NZ 3.3Å; Y649-K652 WeakPolarHBondContact O-CB 3.32Å; Y649-K652 WeakPolarHBondContact O-CD 3.34Å; Y649-K652 VanDerWaalsContact O-CG 3.26Å; Y649-K652 WeakPolarHBondContact O-CG 3.41Å; Y649-K652 PolarHBondContact O-N 2.84Å; Y649-Y653 HydrophobicContact CE1-CE2 4.35Å
650	K	89.6	Confident	79.8	Confident	20 Å²	20	62.5 Å²	62.5	9%	0.087	33%	0.326	C	S	.	.	H	α-helix	trans	-69.5	-33	-179.6	-69.1	175.4	178.3	-167.4	0	112.5	A468 L609 G610 M611 A612 L646 K647 K652 Y653 A654 W657	A468-K650 HydrophobicContact CB-CB 4.12Å; A468-K650 HydrophobicContact CB-CD 4.25Å; L609-K650 HydrophobicContact CB-CD 4.16Å; L609-K650 HydrophobicContact CB-CG 4.19Å; L609-K650 HydrophobicContact CD1-CB 4.24Å; L609-K650 HydrophobicContact CD1-CG 4.34Å; L609-K650 WeakPolarHBondContact O-CE 3.43Å; L609-K650 PolarHBondContact O-NZ 3.28Å; G610-K650 PolarHBondContact O-NZ 3.25Å; M611-K650 PolarHBondContact O-NZ 3.41Å; A612-K650 HydrophobicContact CB-CD 4.49Å; L646-K650 WeakPolarHBondContact O-CG 3.24Å; L646-K650 PolarHBondContact O-N 3.41Å; L646-K650 VanDerWaalsContact O-N 3.14Å; K647-K650 PolarHBondContact O-N 2.89Å; K647-K650 VanDerWaalsContact O-N 3.09Å; K650-K652 PolarHBondContact O-N 3.27Å; K650-Y653 PolarHBondContact O-N 2.89Å; K650-A654 WeakPolarHBondContact O-CB 3.23Å; K650-A654 PolarHBondContact O-N 3.18Å; K650-W657 HydrophobicContact CB-CH2 3.77Å; K650-W657 HydrophobicContact CB-CZ2 4.02Å; K650-W657 HydrophobicContact CD-CH2 4.19Å
651	D	89.6	Confident	81.8	Confident	81 Å²	81	57.2 Å²	57.2	43%	0.433	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-18.1	175.8	-83	-26.2	0	0	0	113.8	K647 Y653 W657	K647-D651 PolarHBondContact O-N 2.93Å; D651-Y653 PolarHBondContact O-N 2.96Å; D651-W657 VanDerWaalsContact OD1-CE2 3.29Å; D651-W657 WeakPolarHBondContact OD1-CZ2 3.44Å; D651-W657 PolarHBondContact OD1-NE1 3.45Å
652	K	89.9	Confident	83.8	Confident	76 Å²	76	53 Å²	53	33%	0.33	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-30.2	172.4	-64.5	173.2	-178.9	176.4	0	112.8	D588 Y649 K650	D588-K652 IonicContact OD1-NZ 3.16Å; D588-K652 PolarHBondContact OD1-NZ 3.49Å; D588-K652 IonicContact OD2-NZ 2.6Å; Y649-K652 HydrophobicContact CD2-CD 4.46Å; Y649-K652 VanDerWaalsContact CD2-NZ 3.3Å; Y649-K652 WeakPolarHBondContact O-CB 3.32Å; Y649-K652 WeakPolarHBondContact O-CD 3.34Å; Y649-K652 VanDerWaalsContact O-CG 3.26Å; Y649-K652 WeakPolarHBondContact O-CG 3.41Å; Y649-K652 PolarHBondContact O-N 2.84Å; K650-K652 PolarHBondContact O-N 3.27Å
653	Y	92.7	Very high	85.8	Confident	11 Å²	11	48.5 Å²	48.5	4%	0.043	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-33.1	-168.9	-56.3	-69.1	0	0	0	112.9	F475 M482 Q485 D588 I592 F595 Y649 K650 D651 N655	F475-Y653 HydrophobicContact CE2-CD1 4.08Å; M482-Y653 HydrophobicContact CE-CD1 4.09Å; M482-Y653 HydrophobicContact CE-CE1 3.87Å; Q485-Y653 HydrophobicContact CG-CE1 3.95Å; Q485-Y653 WeakPolarHBondContact CG-OH 3.28Å; D588-Y653 WeakPolarHBondContact CB-OH 3.04Å; D588-Y653 VanDerWaalsContact CG-OH 3.25Å; D588-Y653 PolarHBondContact OD1-OH 3.42Å; I592-Y653 HydrophobicContact CG1-CE1 4.11Å; F595-Y653 AromaticContact CE2-CD1 3.69Å; F595-Y653 HydrophobicContact CE2-CD1 3.69Å; F595-Y653 HydrophobicContact CE2-CD2 4.43Å; F595-Y653 HydrophobicContact CE2-CE1 4.21Å; F595-Y653 AromaticContact CE2-CG 3.8Å; F595-Y653 HydrophobicContact CE2-CG 3.8Å; F595-Y653 HydrophobicContact CZ-CG 4.21Å; Y649-Y653 HydrophobicContact CE1-CE2 4.35Å; K650-Y653 PolarHBondContact O-N 2.89Å; D651-Y653 PolarHBondContact O-N 2.96Å; Y653-N655 PolarHBondContact O-N 3.44Å; Y653-N655 PolarHBondContact O-OD1 2.84Å
654	A	91.6	Very high	87.3	Confident	21 Å²	21	46.9 Å²	46.9	17%	0.174	25%	0.247	C	C	.	.			trans	-60	130	-173.7	0	0	0	0	0	112.5	A468 H469 K650 W657	A468-A654 HydrophobicContact CB-CB 3.73Å; H469-A654 CarbonylContact O-C 3.58Å; H469-A654 WeakPolarHBondContact O-CA 3.32Å; K650-A654 WeakPolarHBondContact O-CB 3.23Å; K650-A654 PolarHBondContact O-N 3.18Å; A654-W657 HydrophobicContact CB-CZ2 4.27Å
655	N	91.3	Very high	88.7	Confident	97 Å²	97	45.7 Å²	45.7	52%	0.519	23%	0.232	S	C	.	.	S	Bend	trans	-92.9	-36.1	171.1	-62.2	89	0	0	0	110.9	H469 V470 H471 Y653	H469-N655 PolarHBondContact O-N 3.18Å; V470-N655 WeakPolarHBondContact CA-OD1 2.91Å; H471-N655 HydrophobicContact CB-CB 4.43Å; H471-N655 PolarHBondContact N-OD1 3.37Å; Y653-N655 PolarHBondContact O-N 3.44Å; Y653-N655 PolarHBondContact O-OD1 2.84Å
656	E	91.9	Very high	89.3	Confident	63 Å²	63	51.4 Å²	51.4	29%	0.294	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	149.4	-178.2	63.1	177.7	-167.6	0	0	111.3	H469	H469-E656 HydrophobicContact CB-CG 3.57Å; H469-E656 WeakPolarHBondContact CB-OE1 3.44Å; H469-E656 IonicContact CE1-OE1 3.89Å; H469-E656 IonicContact CG-OE1 3.38Å; H469-E656 PolarHBondContact N-O 3.28Å; H469-E656 IonicContact ND1-OE1 2.75Å; H469-E656 PolarHBondContact ND1-OE1 2.69Å; H469-E656 PolarHBondContact O-N 2.9Å
657	W	91.4	Very high	89.7	Confident	60 Å²	60	53.8 Å²	53.8	23%	0.227	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	108.2	177.6	-76.9	98.1	0	0	0	108.6	E466 R467 A468 A612 K647 K650 D651 A654	E466-W657 HydrophobicContact CB-CB 4.35Å; E466-W657 HydrophobicContact CB-CD2 4.45Å; E466-W657 HydrophobicContact CB-CE3 3.56Å; E466-W657 HydrophobicContact CB-CZ3 4.24Å; R467-W657 CarbonylContact O-C 3.6Å; R467-W657 WeakPolarHBondContact O-CA 3.23Å; A468-W657 HydrophobicContact CB-CD2 4.1Å; A468-W657 HydrophobicContact CB-CE3 3.77Å; A468-W657 HydrophobicContact CB-CH2 3.67Å; A468-W657 HydrophobicContact CB-CZ2 3.96Å; A468-W657 HydrophobicContact CB-CZ3 3.56Å; A612-W657 HydrophobicContact CB-CH2 3.95Å; A612-W657 HydrophobicContact CB-CZ3 3.64Å; K647-W657 HydrophobicContact CB-CH2 4.43Å; K647-W657 HydrophobicContact CD-CH2 4.41Å; K647-W657 HydrophobicContact CG-CH2 3.8Å; K647-W657 HydrophobicContact CG-CZ2 3.93Å; K650-W657 HydrophobicContact CB-CH2 3.77Å; K650-W657 HydrophobicContact CB-CZ2 4.02Å; K650-W657 HydrophobicContact CD-CH2 4.19Å; D651-W657 VanDerWaalsContact OD1-CE2 3.29Å; D651-W657 WeakPolarHBondContact OD1-CZ2 3.44Å; D651-W657 PolarHBondContact OD1-NE1 3.45Å; A654-W657 HydrophobicContact CB-CZ2 4.27Å
658	L	91.5	Very high	90.1	Very high	68 Å²	68	51.4 Å²	51.4	36%	0.356	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	127.5	-178.1	-62	-173.9	0	0	0	110.7	E466 R467 H469	E466-L658 CarbonylContact C-O 3.55Å; E466-L658 WeakPolarHBondContact CA-O 3.06Å; R467-L658 PolarHBondContact N-O 2.88Å; R467-L658 PolarHBondContact O-N 3.46Å; H469-L658 WeakPolarHBondContact CE1-CD1 3.22Å
659	P	91	Very high	90.4	Very high	26 Å²	26	50.7 Å²	50.7	17%	0.169	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	142.4	-177	32.7	-37.6	0	0	0	111.5	K463 Y661	K463-P659 HydrophobicContact CD-CB 4.35Å; K463-P659 VanDerWaalsContact CE-CB 3.41Å; P659-Y661 HydrophobicContact CB-CE2 3.79Å; P659-Y661 WeakPolarHBondContact CB-OH 3.49Å; P659-Y661 HydrophobicContact CG-CE2 3.95Å
660	K	91.7	Very high	90.5	Very high	17 Å²	17	48.2 Å²	48.2	7%	0.074	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	145.8	174.3	-68.8	-63	-160	157.8	0	111.4	D415 E445 N446 F464 G465 R467 M611	D415-K660 IonicContact OD2-NZ 2.67Å; D415-K660 PolarHBondContact OD2-NZ 3.08Å; D415-K660 VanDerWaalsContact OD2-NZ 3.16Å; E445-K660 WeakPolarHBondContact O-CD 3.24Å; E445-K660 PolarHBondContact O-NZ 3.05Å; N446-K660 WeakPolarHBondContact O-CA 3.34Å; N446-K660 VanDerWaalsContact O-CD 3.29Å; N446-K660 WeakPolarHBondContact O-CD 3.04Å; F464-K660 PolarHBondContact N-O 3.45Å; G465-K660 PolarHBondContact N-O 3.32Å; G465-K660 VanDerWaalsContact N-O 3.14Å; G465-K660 PolarHBondContact O-N 2.94Å; R467-K660 HydrophobicContact CG-CG 4.04Å; M611-K660 HydrophobicContact CE-CB 3.36Å; M611-K660 HydrophobicContact CE-CG 3.44Å; M611-K660 VanDerWaalsContact CE-CG 3.44Å; M611-K660 HydrophobicContact SD-CB 3.87Å; M611-K660 HydrophobicContact SD-CG 4.09Å
661	Y	91.7	Very high	90.3	Very high	30 Å²	30	48 Å²	48	12%	0.118	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	155	-164	-58.9	-87.8	0	0	0	112.4	E445 N446 E448 V451 F461 I462 K463 P659	E445-Y661 PolarHBondContact N-O 3.47Å; E445-Y661 VanDerWaalsContact N-O 3.1Å; N446-Y661 PolarHBondContact N-O 3.42Å; N446-Y661 VanDerWaalsContact N-O 3.15Å; N446-Y661 PolarHBondContact O-N 2.84Å; E448-Y661 HydrophobicContact CB-CE2 4.15Å; V451-Y661 HydrophobicContact CG2-CD1 4.22Å; V451-Y661 HydrophobicContact CG2-CD2 3.44Å; V451-Y661 VanDerWaalsContact CG2-CD2 3.44Å; V451-Y661 HydrophobicContact CG2-CE2 3.99Å; V451-Y661 HydrophobicContact CG2-CG 3.57Å; F461-Y661 AromaticContact CD2-CD1 3.82Å; F461-Y661 HydrophobicContact CD2-CD1 3.82Å; F461-Y661 HydrophobicContact CD2-CE1 4.1Å; F461-Y661 HydrophobicContact CE2-CD1 4.48Å; F461-Y661 HydrophobicContact CE2-CE1 4.32Å; I462-Y661 VanDerWaalsContact O-CA 3.3Å; I462-Y661 WeakPolarHBondContact O-CA 3.5Å; K463-Y661 HydrophobicContact CB-CD1 4.08Å; K463-Y661 HydrophobicContact CB-CE1 3.92Å; K463-Y661 HydrophobicContact CG-CD1 4.34Å; K463-Y661 HydrophobicContact CG-CE1 4Å; P659-Y661 HydrophobicContact CB-CE2 3.79Å; P659-Y661 WeakPolarHBondContact CB-OH 3.49Å; P659-Y661 HydrophobicContact CG-CE2 3.95Å
662	V	93.2	Very high	90.3	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	126.6	159.1	164.6	0	0	0	0	107.5	V442 F443 Y444 F461 I462 F464 Y664 V673 L677	V442-V662 HydrophobicContact CG1-CG1 4.1Å; F443-V662 CarbonylContact O-C 3.6Å; F443-V662 VanDerWaalsContact O-CA 3.29Å; F443-V662 WeakPolarHBondContact O-CA 3.42Å; Y444-V662 HydrophobicContact CD2-CG2 3.69Å; Y444-V662 HydrophobicContact CE2-CG2 4.3Å; F461-V662 CarbonylContact C-O 3.45Å; F461-V662 VanDerWaalsContact CA-O 3.27Å; F461-V662 WeakPolarHBondContact CA-O 3.06Å; I462-V662 HydrophobicContact CG1-CB 3.96Å; I462-V662 HydrophobicContact CG1-CG1 4.44Å; I462-V662 PolarHBondContact N-O 2.81Å; I462-V662 PolarHBondContact O-N 3.26Å; F464-V662 HydrophobicContact CB-CG2 4.01Å; F464-V662 HydrophobicContact CD2-CG2 3.43Å; F464-V662 VanDerWaalsContact CD2-CG2 3.43Å; F464-V662 HydrophobicContact CE2-CG2 4.31Å; F464-V662 HydrophobicContact CG-CG2 4.04Å; V662-Y664 HydrophobicContact CG1-CD1 4.23Å; V662-V673 HydrophobicContact CG1-CG1 4.07Å; V662-L677 HydrophobicContact CG1-CD1 4.03Å; V662-L677 HydrophobicContact CG2-CD1 3.69Å
663	L	95.2	Very high	90.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	135.6	174.3	-53.4	96.6	0	0	0	110.5	V442 F443 N446 V451 L454 D460 F461	V442-L663 CarbonylContact C-O 3.57Å; V442-L663 WeakPolarHBondContact CA-O 3.22Å; F443-L663 HydrophobicContact CB-CB 4.14Å; F443-L663 HydrophobicContact CB-CD1 4.11Å; F443-L663 PolarHBondContact N-O 3.1Å; F443-L663 PolarHBondContact O-N 3.3Å; N446-L663 HydrophobicContact CB-CD1 3.7Å; V451-L663 HydrophobicContact CB-CD2 4.13Å; V451-L663 HydrophobicContact CG1-CD2 4.31Å; V451-L663 HydrophobicContact CG2-CD1 4.26Å; V451-L663 HydrophobicContact CG2-CD2 3.92Å; V451-L663 HydrophobicContact CG2-CG 4.44Å; L454-L663 HydrophobicContact CB-CD2 3.71Å; L454-L663 HydrophobicContact CD1-CB 3.93Å; L454-L663 HydrophobicContact CD1-CD1 3.99Å; L454-L663 HydrophobicContact CD1-CD2 3.79Å; L454-L663 HydrophobicContact CD1-CG 4.1Å; L454-L663 HydrophobicContact CG-CD2 4.4Å; D460-L663 VanDerWaalsContact O-CA 3.3Å; D460-L663 WeakPolarHBondContact O-CA 3.28Å; F461-L663 HydrophobicContact CB-CD2 3.78Å; F461-L663 HydrophobicContact CB-CG 3.74Å
664	Y	94.5	Very high	90.1	Very high	6 Å²	6	43.1 Å²	43.1	2%	0.024	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	151.8	-174.1	61.9	-81.4	0	0	0	111.4	D460 I462 V662 I670 V673	D460-Y664 HydrophobicContact CB-CE1 4.28Å; D460-Y664 HydrophobicContact CB-CE2 4.23Å; D460-Y664 PolarHBondContact N-O 3.4Å; D460-Y664 PolarHBondContact O-N 2.85Å; I462-Y664 HydrophobicContact CG2-CE1 4.36Å; V662-Y664 HydrophobicContact CG1-CD1 4.23Å; Y664-I670 HydrophobicContact CD1-CD1 3.84Å; Y664-I670 HydrophobicContact CE1-CD1 3.5Å; Y664-I670 HydrophobicContact CE1-CG1 4.33Å; Y664-I670 HydrophobicContact CE2-CB 4.31Å; Y664-I670 HydrophobicContact CE2-CD1 4.36Å; Y664-I670 HydrophobicContact CG-CD1 4.4Å; Y664-V673 HydrophobicContact CD2-CG2 4.18Å; Y664-V673 HydrophobicContact CG-CG1 4.47Å; Y664-V673 HydrophobicContact CG-CG2 4.13Å
665	S	90.6	Very high	89.9	Confident	14 Å²	14	45.4 Å²	45.4	10%	0.098	21%	0.213	C	C	.	.			trans	-63.1	142.8	176.1	164.6	0	0	0	0	111.4	D667 S668	S665-D667 PolarHBondContact O-N 3.05Å; S665-D667 VanDerWaalsContact O-N 3.17Å; S665-D667 PolarHBondContact OG-N 3.4Å; S665-D667 VanDerWaalsContact OG-N 3.11Å; S665-D667 PolarHBondContact OG-OD2 2.89Å; S665-S668 WeakPolarHBondContact O-CB 3.22Å; S665-S668 PolarHBondContact O-N 3.36Å
666	R	85.7	Confident	89.9	Confident	160 Å²	160	40.9 Å²	40.9	60%	0.604	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-21.2	173.8	-71.9	-176	168.8	174.6	6.7	114	D460 S668	D460-R666 IonicContact OD1-CZ 2.82Å; D460-R666 IonicContact OD1-NE 2.97Å; D460-R666 PolarHBondContact OD1-NE 2.95Å; D460-R666 IonicContact OD1-NH2 3.65Å; D460-R666 PolarHBondContact OD1-NH2 3.31Å; D460-R666 IonicContact OD2-NE 2.98Å; R666-S668 PolarHBondContact O-N 2.86Å
667	D	83.9	Confident	89.8	Confident	121 Å²	121	38.1 Å²	38.1	65%	0.647	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-1.3	175.6	-56.7	-44.5	0	0	0	112.7	S665	S665-D667 PolarHBondContact O-N 3.05Å; S665-D667 VanDerWaalsContact O-N 3.17Å; S665-D667 PolarHBondContact OG-N 3.4Å; S665-D667 VanDerWaalsContact OG-N 3.11Å; S665-D667 PolarHBondContact OG-OD2 2.89Å
668	S	88.6	Confident	89.5	Confident	6 Å²	6	37.8 Å²	37.8	4%	0.042	18%	0.179	C	C	.	.	S	Bend	trans	-111.7	132.8	178	-162.5	0	0	0	0	112.1	E283 K409 S665 R666 I670 V673	E283-S668 WeakPolarHBondContact OE1-CA 3.17Å; E283-S668 PolarHBondContact OE2-OG 2.87Å; K409-S668 WeakPolarHBondContact CE-OG 3.48Å; K409-S668 PolarHBondContact NZ-OG 2.91Å; S665-S668 WeakPolarHBondContact O-CB 3.22Å; S665-S668 PolarHBondContact O-N 3.36Å; R666-S668 PolarHBondContact O-N 2.86Å; S668-I670 PolarHBondContact O-N 3.21Å; S668-V673 VanDerWaalsContact OG-CG2 3.22Å; S668-V673 WeakPolarHBondContact OG-CG2 3.23Å
669	W	88.4	Confident	89.2	Confident	128 Å²	128	36.6 Å²	36.6	49%	0.485	17%	0.172	S	C	.	.			trans	-72.9	125	169.1	-68.4	5.4	0	0	0	109.9	E283 I287 I290 G671 Y672 V673	E283-W669 WeakPolarHBondContact OE1-CB 3.49Å; E283-W669 PolarHBondContact OE1-N 2.89Å; I287-W669 HydrophobicContact CD1-CD2 4.49Å; I287-W669 HydrophobicContact CD1-CH2 4.34Å; I287-W669 HydrophobicContact CD1-CZ2 3.87Å; I287-W669 HydrophobicContact CG1-CH2 3.6Å; I287-W669 HydrophobicContact CG1-CZ2 3.57Å; I287-W669 HydrophobicContact CG1-CZ3 4.15Å; I290-W669 HydrophobicContact CD1-CH2 4.49Å; W669-G671 PolarHBondContact O-N 2.92Å; W669-Y672 HydrophobicContact CB-CD2 4.23Å; W669-Y672 HydrophobicContact CE3-CD2 4.26Å; W669-Y672 HydrophobicContact CE3-CE2 4.08Å; W669-Y672 PolarHBondContact O-N 3.12Å; W669-V673 PolarHBondContact O-N 3.22Å
670	I	86.9	Confident	89.1	Confident	8 Å²	8	36 Å²	36	4%	0.041	17%	0.168	C	C	.	.	H	α-helix	trans	-53.4	-32.7	-179.7	-170	50.1	0	0	0	112.9	I462 Q626 I629 Y664 S668 Y672 V673 M674	I462-I670 HydrophobicContact CD1-CD1 3.86Å; I462-I670 HydrophobicContact CD1-CG1 4.3Å; Q626-I670 HydrophobicContact CB-CB 4.42Å; Q626-I670 HydrophobicContact CB-CG2 3.93Å; Q626-I670 HydrophobicContact CG-CG2 4.09Å; I629-I670 HydrophobicContact CB-CG2 4.04Å; I629-I670 HydrophobicContact CD1-CG2 4.24Å; I629-I670 HydrophobicContact CG2-CG2 3.94Å; Y664-I670 HydrophobicContact CD1-CD1 3.84Å; Y664-I670 HydrophobicContact CE1-CD1 3.5Å; Y664-I670 HydrophobicContact CE1-CG1 4.33Å; Y664-I670 HydrophobicContact CE2-CB 4.31Å; Y664-I670 HydrophobicContact CE2-CD1 4.36Å; Y664-I670 HydrophobicContact CG-CD1 4.4Å; S668-I670 PolarHBondContact O-N 3.21Å; I670-Y672 VanDerWaalsContact C-N 3.33Å; I670-Y672 PolarHBondContact O-N 3.4Å; I670-V673 HydrophobicContact CD1-CB 4.08Å; I670-V673 HydrophobicContact CD1-CG1 4.21Å; I670-V673 WeakPolarHBondContact O-CB 3.34Å; I670-V673 PolarHBondContact O-N 3.48Å; I670-M674 HydrophobicContact CD1-CG 3.97Å; I670-M674 HydrophobicContact CD1-SD 4.08Å; I670-M674 HydrophobicContact CG1-CG 4.08Å; I670-M674 WeakPolarHBondContact O-CB 3.32Å; I670-M674 VanDerWaalsContact O-CG 3.24Å; I670-M674 WeakPolarHBondContact O-CG 3.48Å; I670-M674 PolarHBondContact O-N 3Å
671	G	85.5	Confident	88.7	Confident	16 Å²	16	36.3 Å²	36.3	17%	0.165	17%	0.171	C	C	.	.	H	α-helix	trans	-58.2	-43	175.6	0	0	0	0	0	113	W669 I675	W669-G671 PolarHBondContact O-N 2.92Å; G671-I675 WeakPolarHBondContact O-CB 3.44Å; G671-I675 WeakPolarHBondContact O-CD1 3.43Å; G671-I675 WeakPolarHBondContact O-CG1 3.44Å; G671-I675 PolarHBondContact O-N 2.83Å
672	Y	89.6	Confident	88.2	Confident	60 Å²	60	37 Å²	37	24%	0.235	18%	0.177	C	C	.	.	H	α-helix	trans	-72.7	-35.7	177.1	-81.8	-86.3	0	0	0	112.4	A282 E283 T286 W669 I670 I675 A676	A282-Y672 HydrophobicContact CB-CE1 4.24Å; E283-Y672 HydrophobicContact CB-CD1 3.89Å; E283-Y672 HydrophobicContact CB-CD2 3.92Å; E283-Y672 HydrophobicContact CB-CE1 4.15Å; E283-Y672 HydrophobicContact CB-CE2 4.19Å; E283-Y672 HydrophobicContact CB-CG 3.78Å; E283-Y672 HydrophobicContact CG-CD2 3.81Å; E283-Y672 HydrophobicContact CG-CE2 4.18Å; E283-Y672 HydrophobicContact CG-CG 4.08Å; T286-Y672 WeakPolarHBondContact CB-OH 3.24Å; T286-Y672 WeakPolarHBondContact CG2-OH 3.47Å; T286-Y672 PolarHBondContact OG1-OH 3.44Å; W669-Y672 HydrophobicContact CB-CD2 4.23Å; W669-Y672 HydrophobicContact CE3-CD2 4.26Å; W669-Y672 HydrophobicContact CE3-CE2 4.08Å; W669-Y672 PolarHBondContact O-N 3.12Å; I670-Y672 VanDerWaalsContact C-N 3.33Å; I670-Y672 PolarHBondContact O-N 3.4Å; Y672-I675 PolarHBondContact O-N 2.84Å; Y672-A676 WeakPolarHBondContact O-CB 3.39Å; Y672-A676 PolarHBondContact O-N 2.99Å
673	V	90.8	Very high	87.7	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58.9	-51.6	173.1	176.8	0	0	0	0	110.1	V442 V662 Y664 S668 W669 I670 I675 A676 L677	V442-V673 HydrophobicContact CB-CG1 4.42Å; V442-V673 HydrophobicContact CG1-CG1 3.53Å; V442-V673 HydrophobicContact CG2-CG1 3.97Å; V442-V673 HydrophobicContact CG2-CG2 4.3Å; V662-V673 HydrophobicContact CG1-CG1 4.07Å; Y664-V673 HydrophobicContact CD2-CG2 4.18Å; Y664-V673 HydrophobicContact CG-CG1 4.47Å; Y664-V673 HydrophobicContact CG-CG2 4.13Å; S668-V673 VanDerWaalsContact OG-CG2 3.22Å; S668-V673 WeakPolarHBondContact OG-CG2 3.23Å; W669-V673 PolarHBondContact O-N 3.22Å; I670-V673 HydrophobicContact CD1-CB 4.08Å; I670-V673 HydrophobicContact CD1-CG1 4.21Å; I670-V673 WeakPolarHBondContact O-CB 3.34Å; I670-V673 PolarHBondContact O-N 3.48Å; V673-I675 PolarHBondContact O-N 3.25Å; V673-A676 WeakPolarHBondContact O-CB 3.22Å; V673-A676 PolarHBondContact O-N 3.04Å; V673-A676 VanDerWaalsContact O-N 3.17Å; V673-L677 HydrophobicContact CG1-CD1 4.23Å; V673-L677 WeakPolarHBondContact O-CG 3.28Å; V673-L677 PolarHBondContact O-N 2.93Å
674	M	87.9	Confident	87.1	Confident	5 Å²	5	41 Å²	41	3%	0.025	21%	0.205	C	C	.	.	H	α-helix	trans	-64.8	-37.4	179.9	-65.3	-50.7	-55.5	0	0	112.6	I462 A630 V633 Y634 I670 L677 L678	I462-M674 HydrophobicContact CD1-SD 4.07Å; A630-M674 HydrophobicContact CB-CG 4.23Å; A630-M674 HydrophobicContact CB-SD 4.38Å; V633-M674 HydrophobicContact CB-CB 4.03Å; V633-M674 HydrophobicContact CG1-CB 3.71Å; V633-M674 HydrophobicContact CG2-CB 4.22Å; Y634-M674 HydrophobicContact CD2-CE 4.08Å; Y634-M674 HydrophobicContact CE1-CE 3.89Å; Y634-M674 HydrophobicContact CE2-CE 3.31Å; Y634-M674 VanDerWaalsContact OH-CE 3.3Å; Y634-M674 WeakPolarHBondContact OH-CE 3.47Å; I670-M674 HydrophobicContact CD1-CG 3.97Å; I670-M674 HydrophobicContact CD1-SD 4.08Å; I670-M674 HydrophobicContact CG1-CG 4.08Å; I670-M674 WeakPolarHBondContact O-CB 3.32Å; I670-M674 VanDerWaalsContact O-CG 3.24Å; I670-M674 WeakPolarHBondContact O-CG 3.48Å; I670-M674 PolarHBondContact O-N 3Å; M674-L677 HydrophobicContact SD-CD1 4.24Å; M674-L678 WeakPolarHBondContact O-CB 3.42Å; M674-L678 PolarHBondContact O-N 3.26Å
675	I	87.4	Confident	86.4	Confident	69 Å²	69	43.6 Å²	43.6	35%	0.354	22%	0.221	S	C	.	.	H	α-helix	trans	-65	-41.8	173.9	-71.9	165.5	0	0	0	110.8	G671 Y672 V673 L678 I679	G671-I675 WeakPolarHBondContact O-CB 3.44Å; G671-I675 WeakPolarHBondContact O-CD1 3.43Å; G671-I675 WeakPolarHBondContact O-CG1 3.44Å; G671-I675 PolarHBondContact O-N 2.83Å; Y672-I675 PolarHBondContact O-N 2.84Å; V673-I675 PolarHBondContact O-N 3.25Å; I675-L678 PolarHBondContact O-N 3.47Å; I675-I679 HydrophobicContact CG2-CD1 3.57Å; I675-I679 HydrophobicContact CG2-CG1 4.33Å; I675-I679 WeakPolarHBondContact O-CB 3.37Å; I675-I679 VanDerWaalsContact O-CG1 3.25Å; I675-I679 WeakPolarHBondContact O-CG1 3.48Å; I675-I679 PolarHBondContact O-N 3.3Å
676	A	90.7	Very high	85.1	Confident	2 Å²	2	49.2 Å²	49.2	2%	0.017	25%	0.246	C	C	.	.	H	α-helix	trans	-62.2	-47.3	177.1	0	0	0	0	0	111.2	F406 K409 L411 Y672 V673 I679 T680	F406-A676 HydrophobicContact CB-CB 4.46Å; F406-A676 HydrophobicContact CD1-CB 3.49Å; F406-A676 VanDerWaalsContact CD1-CB 3.49Å; F406-A676 HydrophobicContact CE1-CB 4.04Å; F406-A676 HydrophobicContact CG-CB 4.26Å; K409-A676 HydrophobicContact CG-CB 4.37Å; L411-A676 HydrophobicContact CD2-CB 4.3Å; Y672-A676 WeakPolarHBondContact O-CB 3.39Å; Y672-A676 PolarHBondContact O-N 2.99Å; V673-A676 WeakPolarHBondContact O-CB 3.22Å; V673-A676 PolarHBondContact O-N 3.04Å; V673-A676 VanDerWaalsContact O-N 3.17Å; A676-I679 PolarHBondContact O-N 3.27Å; A676-T680 WeakPolarHBondContact O-CB 3.36Å; A676-T680 PolarHBondContact O-N 3.43Å; A676-T680 PolarHBondContact O-OG1 3.33Å
677	L	89.3	Confident	83.6	Confident	4 Å²	4	43.5 Å²	43.5	2%	0.021	23%	0.233	C	C	.	.	H	α-helix	trans	-59.2	-51.2	174.5	-69.6	172.8	0	0	0	111.2	L411 V442 Y444 V662 V673 M674 I679 T680 D681	L411-L677 HydrophobicContact CD1-CD2 4.28Å; L411-L677 HydrophobicContact CD2-CD2 3.98Å; L411-L677 HydrophobicContact CD2-CG 4.48Å; V442-L677 HydrophobicContact CG1-CD1 4.37Å; V442-L677 HydrophobicContact CG1-CD2 4.34Å; V442-L677 HydrophobicContact CG1-CG 4.48Å; Y444-L677 HydrophobicContact CD1-CD2 4.08Å; Y444-L677 HydrophobicContact CD2-CD1 4.11Å; Y444-L677 HydrophobicContact CD2-CD2 3.84Å; Y444-L677 HydrophobicContact CG-CD2 3.6Å; V662-L677 HydrophobicContact CG1-CD1 4.03Å; V662-L677 HydrophobicContact CG2-CD1 3.69Å; V673-L677 HydrophobicContact CG1-CD1 4.23Å; V673-L677 WeakPolarHBondContact O-CG 3.28Å; V673-L677 PolarHBondContact O-N 2.93Å; M674-L677 HydrophobicContact SD-CD1 4.24Å; L677-I679 VanDerWaalsContact C-N 3.31Å; L677-I679 PolarHBondContact O-N 3.5Å; L677-T680 PolarHBondContact O-N 3.02Å; L677-D681 WeakPolarHBondContact O-CB 3.26Å; L677-D681 PolarHBondContact O-N 3.17Å
678	L	84.5	Confident	82	Confident	53 Å²	53	44.8 Å²	44.8	28%	0.277	24%	0.235	S	C	.	.	H	α-helix	trans	-60	-39.7	-178.4	-173.6	152.4	0	0	0	112.4	V633 M674 I675 N682	V633-L678 HydrophobicContact CG1-CD1 4.14Å; M674-L678 WeakPolarHBondContact O-CB 3.42Å; M674-L678 PolarHBondContact O-N 3.26Å; I675-L678 PolarHBondContact O-N 3.47Å; L678-N682 VanDerWaalsContact O-CB 3.27Å; L678-N682 WeakPolarHBondContact O-CB 3.25Å; L678-N682 PolarHBondContact O-N 3.41Å; L678-N682 PolarHBondContact O-ND2 3.38Å
679	I	86.2	Confident	80.3	Confident	44 Å²	44	49.8 Å²	49.8	23%	0.226	26%	0.257	C	S	.	.	H	α-helix	trans	-72.4	-45	179.6	-69.8	170.6	0	0	0	111.2	F406 I675 A676 L677 A683 F699	F406-I679 HydrophobicContact CD2-CG2 4.31Å; F406-I679 HydrophobicContact CE1-CD1 4.35Å; F406-I679 HydrophobicContact CE2-CB 4.13Å; F406-I679 HydrophobicContact CE2-CD1 4.32Å; F406-I679 HydrophobicContact CE2-CG2 3.52Å; F406-I679 HydrophobicContact CZ-CB 4.11Å; F406-I679 HydrophobicContact CZ-CD1 3.6Å; F406-I679 HydrophobicContact CZ-CG1 4.46Å; F406-I679 HydrophobicContact CZ-CG2 3.92Å; I675-I679 HydrophobicContact CG2-CD1 3.57Å; I675-I679 HydrophobicContact CG2-CG1 4.33Å; I675-I679 WeakPolarHBondContact O-CB 3.37Å; I675-I679 VanDerWaalsContact O-CG1 3.25Å; I675-I679 WeakPolarHBondContact O-CG1 3.48Å; I675-I679 PolarHBondContact O-N 3.3Å; A676-I679 PolarHBondContact O-N 3.27Å; L677-I679 VanDerWaalsContact C-N 3.31Å; L677-I679 PolarHBondContact O-N 3.5Å; I679-A683 WeakPolarHBondContact O-CB 3.37Å; I679-A683 PolarHBondContact O-N 3.08Å; I679-A683 VanDerWaalsContact O-N 3.12Å; I679-F699 HydrophobicContact CD1-CD1 4.19Å; I679-F699 HydrophobicContact CD1-CE1 3.47Å; I679-F699 VanDerWaalsContact CD1-CE1 3.47Å; I679-F699 HydrophobicContact CD1-CZ 4.02Å
680	T	88.1	Confident	78.2	Confident	14 Å²	14	50.8 Å²	50.8	9%	0.086	26%	0.264	C	S	.	.	H	α-helix	trans	-67.1	-45	-179.2	-58.8	0	0	0	0	111.2	S404 L411 F530 A676 L677 N682 A683	S404-T680 WeakPolarHBondContact OG-CG2 3.36Å; L411-T680 HydrophobicContact CD1-CG2 3.83Å; L411-T680 WeakPolarHBondContact CD1-OG1 3.33Å; F530-T680 HydrophobicContact CB-CG2 4.06Å; F530-T680 HydrophobicContact CD1-CG2 3.76Å; F530-T680 HydrophobicContact CD2-CG2 4.02Å; F530-T680 HydrophobicContact CE1-CG2 4.17Å; F530-T680 HydrophobicContact CE2-CG2 4.43Å; F530-T680 HydrophobicContact CG-CG2 3.67Å; A676-T680 WeakPolarHBondContact O-CB 3.36Å; A676-T680 PolarHBondContact O-N 3.43Å; A676-T680 PolarHBondContact O-OG1 3.33Å; L677-T680 PolarHBondContact O-N 3.02Å; T680-N682 PolarHBondContact O-N 2.8Å; T680-A683 VanDerWaalsContact O-CB 3.29Å; T680-A683 WeakPolarHBondContact O-CB 3.41Å; T680-A683 PolarHBondContact O-N 3.44Å
681	D	84.6	Confident	76.6	Confident	23 Å²	23	53.1 Å²	53.1	12%	0.123	27%	0.273	C	S	.	.	H	α-helix	trans	-71.6	-28.3	-176.8	-163.5	60.2	0	0	0	113.3	S531 L677	S531-D681 WeakPolarHBondContact CB-OD1 3.19Å; S531-D681 PolarHBondContact OG-OD1 3.13Å; L677-D681 WeakPolarHBondContact O-CB 3.26Å; L677-D681 PolarHBondContact O-N 3.17Å
682	N	81.5	Confident	74.6	Confident	45 Å²	45	59.5 Å²	59.5	24%	0.241	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	8.2	173.8	-65.6	-70.2	0	0	0	113.7	K528 L678 T680	K528-N682 WeakPolarHBondContact CE-OD1 3.37Å; K528-N682 PolarHBondContact NZ-OD1 3.3Å; L678-N682 VanDerWaalsContact O-CB 3.27Å; L678-N682 WeakPolarHBondContact O-CB 3.25Å; L678-N682 PolarHBondContact O-N 3.41Å; L678-N682 PolarHBondContact O-ND2 3.38Å; T680-N682 PolarHBondContact O-N 2.8Å
683	A	82.2	Confident	73	Confident	34 Å²	34	59.5 Å²	59.5	28%	0.281	32%	0.317	S	S	.	.			trans	-69	128.4	178.5	0	0	0	0	0	110.2	I679 T680	I679-A683 WeakPolarHBondContact O-CB 3.37Å; I679-A683 PolarHBondContact O-N 3.08Å; I679-A683 VanDerWaalsContact O-N 3.12Å; T680-A683 VanDerWaalsContact O-CB 3.29Å; T680-A683 WeakPolarHBondContact O-CB 3.41Å; T680-A683 PolarHBondContact O-N 3.44Å
684	P	81.7	Confident	71	Confident	49 Å²	49	67 Å²	67	32%	0.318	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-74.2	133.1	176.4	28.3	-32.4	0	0	0	110.9	K526 E527 Q686 A687	K526-P684 HydrophobicContact CB-CB 4Å; K526-P684 HydrophobicContact CD-CB 3.82Å; K526-P684 HydrophobicContact CD-CG 4.43Å; E527-P684 VanDerWaalsContact O-CA 3.27Å; E527-P684 WeakPolarHBondContact O-CA 3.19Å; P684-Q686 PolarHBondContact O-N 2.95Å; P684-A687 HydrophobicContact CB-CB 4.43Å; P684-A687 HydrophobicContact CG-CB 3.7Å; P684-A687 PolarHBondContact O-N 3.06Å
685	V	79.3	Confident	69.3	Low	60 Å²	60	75.2 Å²	75.2	36%	0.364	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-35.4	-178.2	-177.1	0	0	0	0	112	E527 K528 F534	E527-V685 HydrophobicContact CB-CG2 4.31Å; E527-V685 PolarHBondContact O-N 2.83Å; E527-V685 VanDerWaalsContact O-N 3.13Å; K528-V685 VanDerWaalsContact C-CG2 3.43Å; K528-V685 VanDerWaalsContact O-CG2 3.23Å; K528-V685 WeakPolarHBondContact O-CG2 3.3Å; F534-V685 HydrophobicContact CB-CG2 4.19Å; F534-V685 HydrophobicContact CD1-CG1 4.25Å; F534-V685 HydrophobicContact CD1-CG2 3.52Å; F534-V685 HydrophobicContact CD2-CG1 4.12Å; F534-V685 HydrophobicContact CD2-CG2 4.47Å; F534-V685 HydrophobicContact CE1-CG1 4.02Å; F534-V685 HydrophobicContact CE1-CG2 3.89Å; F534-V685 HydrophobicContact CE2-CG1 3.89Å; F534-V685 HydrophobicContact CG-CG1 4.28Å; F534-V685 HydrophobicContact CG-CG2 3.82Å; F534-V685 HydrophobicContact CZ-CG1 3.83Å
686	Q	65.2	Low	67.6	Low	132 Å²	132	78.9 Å²	78.9	62%	0.617	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-7.4	-170.7	-63.3	153.8	5.7	0	0	114.3	P684	P684-Q686 PolarHBondContact O-N 2.95Å
687	A	53.5	Low	65.7	Low	41 Å²	41	84 Å²	84	34%	0.339	41%	0.412	S	S	.	.			trans	-93.7	122.3	-174.4	0	0	0	0	0	111.8	P684 K689	P684-A687 HydrophobicContact CB-CB 4.43Å; P684-A687 HydrophobicContact CG-CB 3.7Å; P684-A687 PolarHBondContact O-N 3.06Å; A687-K689 PolarHBondContact O-N 3.46Å; A687-K689 VanDerWaalsContact O-N 3.1Å
688	E	50.3	Low	63.8	Low	147 Å²	147	86.1 Å²	86.1	69%	0.687	42%	0.422	S	S	*	.			trans	-54.3	119.3	153.5	-78.4	-172.5	158.2	0	0	108	K690	E688-K690 PolarHBondContact O-N 2.87Å; E688-K690 WeakPolarHBondContact OE2-CE 3.46Å; E688-K690 IonicContact OE2-NZ 3.4Å; E688-K690 PolarHBondContact OE2-NZ 3.48Å
689	K	51.8	Low	62.4	Low	112 Å²	112	85.3 Å²	85.3	49%	0.487	42%	0.417	S	S	.	.			trans	-60.1	75	177	-73.1	179	177	-179.4	0	111.3	A687 Y691 D701	A687-K689 PolarHBondContact O-N 3.46Å; A687-K689 VanDerWaalsContact O-N 3.1Å; K689-Y691 HydrophobicContact CB-CD2 4.37Å; K689-Y691 HydrophobicContact CB-CE2 3.88Å; K689-Y691 HydrophobicContact CD-CE2 4.17Å; K689-Y691 HydrophobicContact CG-CE2 4.3Å; K689-Y691 PolarHBondContact O-N 2.81Å; K689-D701 WeakPolarHBondContact CD-OD2 3.36Å; K689-D701 VanDerWaalsContact NZ-CG 3.31Å; K689-D701 IonicContact NZ-OD1 2.96Å; K689-D701 PolarHBondContact NZ-OD1 2.98Å; K689-D701 VanDerWaalsContact NZ-OD1 3.1Å; K689-D701 IonicContact NZ-OD2 3.72Å; K689-D701 PolarHBondContact NZ-OD2 3.23Å
690	K	45.5	Very low	60.5	Low	149 Å²	149	91.1 Å²	91.1	65%	0.648	44%	0.436	S	S	*	.			trans	-88.5	86.4	173.4	-77.5	-178.9	-176.5	158.4	0	109.9	E688	E688-K690 PolarHBondContact O-N 2.87Å; E688-K690 WeakPolarHBondContact OE2-CE 3.46Å; E688-K690 IonicContact OE2-NZ 3.4Å; E688-K690 PolarHBondContact OE2-NZ 3.48Å
691	Y	53.7	Low	58.6	Low	56 Å²	56	94 Å²	94	22%	0.22	45%	0.451	C	S	.	.			trans	-77.7	130.3	169.1	-59.3	-72.8	0	0	0	110.8	K689 R695 R696 F699	K689-Y691 HydrophobicContact CB-CD2 4.37Å; K689-Y691 HydrophobicContact CB-CE2 3.88Å; K689-Y691 HydrophobicContact CD-CE2 4.17Å; K689-Y691 HydrophobicContact CG-CE2 4.3Å; K689-Y691 PolarHBondContact O-N 2.81Å; Y691-R695 HydrophobicContact CD1-CB 4.48Å; Y691-R696 WeakPolarHBondContact O-CB 3.28Å; Y691-F699 HydrophobicContact CD1-CB 3.84Å; Y691-F699 HydrophobicContact CD1-CD2 4.28Å; Y691-F699 HydrophobicContact CD1-CG 4.4Å; Y691-F699 HydrophobicContact CD2-CB 4.1Å; Y691-F699 HydrophobicContact CE1-CB 3.69Å; Y691-F699 HydrophobicContact CE1-CD2 4.37Å; Y691-F699 HydrophobicContact CE1-CG 4.19Å; Y691-F699 HydrophobicContact CE2-CB 3.94Å; Y691-F699 VanDerWaalsContact CE2-O 3.23Å; Y691-F699 WeakPolarHBondContact CE2-O 3.48Å; Y691-F699 HydrophobicContact CG-CB 4.04Å
692	H	43.9	Very low	57.3	Low	150 Å²	150	97.6 Å²	97.6	69%	0.694	47%	0.467	S	S	*	.			trans	-109.9	145.9	176.4	-70.2	-68.9	0	0	0	112.6	R695	H692-R695 WeakPolarHBondContact O-CB 3.48Å; H692-R695 PolarHBondContact O-N 3.41Å
693	G	54.3	Low	56	Low	61 Å²	61	100.3 Å²	100.3	63%	0.629	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	-136.4	173.5	0	0	0	0	0	114.6	R695 R696 F697	G693-R695 PolarHBondContact O-N 3.02Å; G693-R696 VanDerWaalsContact O-CB 3.26Å; G693-R696 WeakPolarHBondContact O-CB 3.23Å; G693-R696 PolarHBondContact O-N 3.38Å; G693-F697 PolarHBondContact O-N 2.77Å
694	F	49.9	Very low	54.6	Low	157 Å²	157	104 Å²	104	69%	0.689	49%	0.49	S	S	*	.	H	α-helix	trans	-59.9	-28.7	179.5	-152.8	-104.2	0	0	0	112.6	R696 F697 I698	F694-R696 VanDerWaalsContact C-N 3.31Å; F694-R696 PolarHBondContact O-N 3.41Å; F694-F697 WeakPolarHBondContact O-CA 3.35Å; F694-F697 VanDerWaalsContact O-CB 3.26Å; F694-F697 WeakPolarHBondContact O-CB 3.4Å; F694-F697 PolarHBondContact O-N 3.25Å; F694-I698 HydrophobicContact CD1-CD1 3.6Å; F694-I698 HydrophobicContact CD1-CG1 4.16Å; F694-I698 HydrophobicContact CE1-CD1 3.65Å; F694-I698 HydrophobicContact CE1-CG1 4.21Å; F694-I698 PolarHBondContact O-N 3.29Å; F694-I698 VanDerWaalsContact O-N 3.11Å
695	R	51.1	Low	53	Low	177 Å²	177	107.2 Å²	107.2	67%	0.668	50%	0.5	S	S	*	.	H	α-helix	trans	-62.9	-37.5	172.7	-68.4	-169.7	175.8	-179.5	-1.6	111.6	Y691 H692 G693 F697 I698 F699	Y691-R695 HydrophobicContact CD1-CB 4.48Å; H692-R695 WeakPolarHBondContact O-CB 3.48Å; H692-R695 PolarHBondContact O-N 3.41Å; G693-R695 PolarHBondContact O-N 3.02Å; R695-F697 PolarHBondContact O-N 2.69Å; R695-I698 PolarHBondContact O-N 3.38Å; R695-F699 HydrophobicContact CB-CD2 3.77Å; R695-F699 HydrophobicContact CB-CE2 4.14Å; R695-F699 HydrophobicContact CG-CD2 4.17Å; R695-F699 HydrophobicContact CG-CE2 4.02Å; R695-F699 VanDerWaalsContact O-CB 3.27Å; R695-F699 WeakPolarHBondContact O-CB 3.28Å; R695-F699 WeakPolarHBondContact O-CD2 3.13Å; R695-F699 PolarHBondContact O-N 3.24Å
696	R	52.3	Low	51.3	Low	146 Å²	146	110.2 Å²	110.2	55%	0.551	51%	0.509	S	S	*	.	H	α-helix	trans	-64.4	-27.9	173.6	-160.2	179.6	-177.4	-179.5	2.5	112.2	Y691 G693 F694 R700	Y691-R696 WeakPolarHBondContact O-CB 3.28Å; G693-R696 VanDerWaalsContact O-CB 3.26Å; G693-R696 WeakPolarHBondContact O-CB 3.23Å; G693-R696 PolarHBondContact O-N 3.38Å; F694-R696 VanDerWaalsContact C-N 3.31Å; F694-R696 PolarHBondContact O-N 3.41Å; R696-R700 VanDerWaalsContact O-CB 3.32Å; R696-R700 WeakPolarHBondContact O-CB 3.39Å
697	F	50.7	Low	50.4	Low	110 Å²	110	108.7 Å²	108.7	48%	0.482	50%	0.502	S	S	.	.	H	α-helix	trans	-76	-34.6	178.6	-163.2	-107.7	0	0	0	112.4	M285 G693 F694 R695	M285-F697 HydrophobicContact CE-CD1 3.69Å; M285-F697 HydrophobicContact CE-CE1 3.17Å; M285-F697 HydrophobicContact CE-CZ 3.94Å; G693-F697 PolarHBondContact O-N 2.77Å; F694-F697 WeakPolarHBondContact O-CA 3.35Å; F694-F697 VanDerWaalsContact O-CB 3.26Å; F694-F697 WeakPolarHBondContact O-CB 3.4Å; F694-F697 PolarHBondContact O-N 3.25Å; R695-F697 PolarHBondContact O-N 2.69Å
698	I	49.8	Very low	50.2	Low	48 Å²	48	113.6 Å²	113.6	25%	0.246	51%	0.513	C	S	.	.	H	α-helix	trans	-87.8	-35.2	-179.7	-64.2	177.2	0	0	0	113	A282 N407 F694 R695	A282-I698 HydrophobicContact CB-CG2 3.83Å; N407-I698 PolarHBondContact ND2-O 3.17Å; N407-I698 PolarHBondContact OD1-O 2.83Å; F694-I698 HydrophobicContact CD1-CD1 3.6Å; F694-I698 HydrophobicContact CD1-CG1 4.16Å; F694-I698 HydrophobicContact CE1-CD1 3.65Å; F694-I698 HydrophobicContact CE1-CG1 4.21Å; F694-I698 PolarHBondContact O-N 3.29Å; F694-I698 VanDerWaalsContact O-N 3.11Å; R695-I698 PolarHBondContact O-N 3.38Å
699	F	54.8	Low	50.2	Low	37 Å²	37	111 Å²	111	16%	0.162	50%	0.5	C	S	.	.	H	α-helix	trans	-116.3	6.8	-162.5	-58.3	-63.4	0	0	0	115.3	F406 I679 Y691 R695 D701	F406-F699 HydrophobicContact CE1-CD1 4.41Å; F406-F699 HydrophobicContact CE2-CD1 4.05Å; F406-F699 AromaticContact CZ-CD1 3.46Å; F406-F699 HydrophobicContact CZ-CD1 3.46Å; F406-F699 VanDerWaalsContact CZ-CD1 3.46Å; F406-F699 AromaticContact CZ-CE1 3.78Å; F406-F699 HydrophobicContact CZ-CE1 3.78Å; I679-F699 HydrophobicContact CD1-CD1 4.19Å; I679-F699 HydrophobicContact CD1-CE1 3.47Å; I679-F699 VanDerWaalsContact CD1-CE1 3.47Å; I679-F699 HydrophobicContact CD1-CZ 4.02Å; Y691-F699 HydrophobicContact CD1-CB 3.84Å; Y691-F699 HydrophobicContact CD1-CD2 4.28Å; Y691-F699 HydrophobicContact CD1-CG 4.4Å; Y691-F699 HydrophobicContact CD2-CB 4.1Å; Y691-F699 HydrophobicContact CE1-CB 3.69Å; Y691-F699 HydrophobicContact CE1-CD2 4.37Å; Y691-F699 HydrophobicContact CE1-CG 4.19Å; Y691-F699 HydrophobicContact CE2-CB 3.94Å; Y691-F699 VanDerWaalsContact CE2-O 3.23Å; Y691-F699 WeakPolarHBondContact CE2-O 3.48Å; Y691-F699 HydrophobicContact CG-CB 4.04Å; R695-F699 HydrophobicContact CB-CD2 3.77Å; R695-F699 HydrophobicContact CB-CE2 4.14Å; R695-F699 HydrophobicContact CG-CD2 4.17Å; R695-F699 HydrophobicContact CG-CE2 4.02Å; R695-F699 VanDerWaalsContact O-CB 3.27Å; R695-F699 WeakPolarHBondContact O-CB 3.28Å; R695-F699 WeakPolarHBondContact O-CD2 3.13Å; R695-F699 PolarHBondContact O-N 3.24Å; F699-D701 PolarHBondContact O-N 2.89Å; F699-D701 VanDerWaalsContact O-N 3.1Å
700	R	46.5	Very low	50	Low	165 Å²	165	110.9 Å²	110.9	62%	0.623	50%	0.501	S	S	*	.			trans	-72	110.6	176	-169.7	175.1	168.2	179.1	-4.9	109	R353 R696	R353-R700 PolarHBondContact NH1-O 3.49Å; R696-R700 VanDerWaalsContact O-CB 3.32Å; R696-R700 WeakPolarHBondContact O-CB 3.39Å
701	D	48.2	Very low	50.5	Low	75 Å²	75	107.5 Å²	107.5	40%	0.401	49%	0.488	S	S	.	.			trans	-40.6	0	174.4	-65.8	-21.4	0	0	0	113.3	R353 K689 F699	R353-D701 WeakPolarHBondContact CD-OXT 3.32Å; R353-D701 PolarHBondContact NH1-OXT 2.71Å; K689-D701 WeakPolarHBondContact CD-OD2 3.36Å; K689-D701 VanDerWaalsContact NZ-CG 3.31Å; K689-D701 IonicContact NZ-OD1 2.96Å; K689-D701 PolarHBondContact NZ-OD1 2.98Å; K689-D701 VanDerWaalsContact NZ-OD1 3.1Å; K689-D701 IonicContact NZ-OD2 3.72Å; K689-D701 PolarHBondContact NZ-OD2 3.23Å; F699-D701 PolarHBondContact O-N 2.89Å; F699-D701 VanDerWaalsContact O-N 3.1Å

Retrieved 701 of 701 residues in 209.3 ms (Link to these results)

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