A0A3Q0KMI0_SCHMA Loading...

Transmembrane protein

AlphaFold DB (A0A5K4EMW2), UniProt , Accession A0A3Q0KMI0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 570 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	51.5	Low	75.9	Confident	216 Å²	216	64 Å²	64	100%	1.064	40%	0.395	S	S	*	.				0	-36.3	0	-67.2	-176.1	105.6	0	0	112.6	V3 L4 G5	M1-V3 VanDerWaalsContact C-N 3.33Å; M1-V3 PolarHBondContact O-N 3.14Å; M1-L4 PolarHBondContact O-N 3.07Å; M1-G5 PolarHBondContact O-N 3.01Å
2	G	63.2	Low	77.1	Confident	64 Å²	64	68 Å²	68	66%	0.66	41%	0.411	S	S	*	.	H	α-helix	trans	-56.6	-37.3	179.7	0	0	0	0	0	115.8	G5 L6	G2-G5 PolarHBondContact O-N 3.37Å; G2-L6 PolarHBondContact O-N 3.28Å
3	V	63.4	Low	78	Confident	41 Å²	41	69.3 Å²	69.3	25%	0.248	42%	0.419	C	S	.	.	H	α-helix	trans	-62.4	-46.5	-179.4	179.7	0	0	0	0	113.2	M1 G5 L6 Q7 Y131 I135 V165	M1-V3 VanDerWaalsContact C-N 3.33Å; M1-V3 PolarHBondContact O-N 3.14Å; V3-G5 VanDerWaalsContact C-N 3.3Å; V3-G5 PolarHBondContact O-N 3.13Å; V3-L6 PolarHBondContact O-N 2.99Å; V3-Q7 PolarHBondContact O-N 3.47Å; V3-Y131 HydrophobicContact CG1-CE1 3.48Å; V3-Y131 VanDerWaalsContact CG1-CE1 3.48Å; V3-Y131 WeakPolarHBondContact CG1-OH 3.3Å; V3-I135 HydrophobicContact CG2-CD1 4.47Å; V3-V165 HydrophobicContact CG1-CG2 4.28Å
4	L	68.8	Low	78.6	Confident	75 Å²	75	64.8 Å²	64.8	39%	0.393	39%	0.393	S	S	.	.	H	α-helix	trans	-66.7	-35.1	175.5	-70.1	173.4	0	0	0	111.3	M1 L6 Q7 L8 N164	M1-L4 PolarHBondContact O-N 3.07Å; L4-L6 PolarHBondContact O-N 2.8Å; L4-Q7 PolarHBondContact O-N 3.16Å; L4-L8 WeakPolarHBondContact O-CB 3.24Å; L4-L8 PolarHBondContact O-N 3.07Å; L4-N164 HydrophobicContact CD1-CB 4.37Å; L4-N164 HydrophobicContact CD2-CB 4.42Å; L4-N164 HydrophobicContact CG-CB 4.22Å
5	G	79	Confident	79.3	Confident	39 Å²	39	63.5 Å²	63.5	40%	0.402	39%	0.391	S	S	.	.	H	α-helix	trans	-60.2	-43	175.2	0	0	0	0	0	112.4	M1 G2 V3 L8 A9	M1-G5 PolarHBondContact O-N 3.01Å; G2-G5 PolarHBondContact O-N 3.37Å; V3-G5 VanDerWaalsContact C-N 3.3Å; V3-G5 PolarHBondContact O-N 3.13Å; G5-L8 PolarHBondContact O-N 3.3Å; G5-A9 VanDerWaalsContact O-CB 3.28Å; G5-A9 WeakPolarHBondContact O-CB 3.16Å; G5-A9 PolarHBondContact O-N 3.36Å
6	L	79.9	Confident	79.8	Confident	73 Å²	73	62.4 Å²	62.4	38%	0.382	39%	0.387	S	S	.	.	H	α-helix	trans	-64.2	-46.9	176.5	-177.7	64.8	0	0	0	111.9	G2 V3 L4 L8 A9 T10 A130	G2-L6 PolarHBondContact O-N 3.28Å; V3-L6 PolarHBondContact O-N 2.99Å; L4-L6 PolarHBondContact O-N 2.8Å; L6-L8 PolarHBondContact O-N 3.26Å; L6-A9 PolarHBondContact O-N 2.96Å; L6-T10 HydrophobicContact CD1-CG2 4.32Å; L6-T10 WeakPolarHBondContact O-CG2 2.89Å; L6-T10 PolarHBondContact O-N 3.11Å; L6-T10 PolarHBondContact O-OG1 2.9Å; L6-A130 HydrophobicContact CD2-CB 3.69Å
7	Q	81.9	Confident	80.2	Confident	5 Å²	5	62.2 Å²	62.2	2%	0.023	39%	0.386	C	S	.	.	H	α-helix	trans	-61.8	-42.9	177.6	-67.5	-178.6	-6.1	0	0	112.2	V3 L4 A9 T10 T11 Y131 I167 L169	V3-Q7 PolarHBondContact O-N 3.47Å; L4-Q7 PolarHBondContact O-N 3.16Å; Q7-A9 VanDerWaalsContact C-N 3.32Å; Q7-A9 PolarHBondContact O-N 2.97Å; Q7-T10 PolarHBondContact O-N 3.14Å; Q7-T10 PolarHBondContact O-OG1 2.8Å; Q7-T10 VanDerWaalsContact O-OG1 3.06Å; Q7-T11 WeakPolarHBondContact O-CB 3.2Å; Q7-T11 VanDerWaalsContact O-CG2 3.3Å; Q7-T11 WeakPolarHBondContact O-CG2 3Å; Q7-T11 PolarHBondContact O-N 2.71Å; Q7-T11 PolarHBondContact O-OG1 3.08Å; Q7-Y131 VanDerWaalsContact CD-OH 3.24Å; Q7-Y131 HydrophobicContact CG-CE2 4.41Å; Q7-Y131 WeakPolarHBondContact CG-OH 3.23Å; Q7-Y131 PolarHBondContact NE2-OH 2.83Å; Q7-I167 PolarHBondContact OE1-O 2.91Å; Q7-L169 HydrophobicContact CB-CB 4.24Å
8	L	84.9	Confident	80.5	Confident	110 Å²	110	60.3 Å²	60.3	58%	0.576	37%	0.372	S	S	*	.	H	α-helix	trans	-65.3	-38.8	177.4	-171.4	124.9	0	0	0	111	L4 G5 L6 T11 L12	L4-L8 WeakPolarHBondContact O-CB 3.24Å; L4-L8 PolarHBondContact O-N 3.07Å; G5-L8 PolarHBondContact O-N 3.3Å; L6-L8 PolarHBondContact O-N 3.26Å; L8-T11 WeakPolarHBondContact CA-OG1 3.32Å; L8-T11 PolarHBondContact O-OG1 3.23Å; L8-L12 VanDerWaalsContact O-CB 3.29Å; L8-L12 WeakPolarHBondContact O-CB 3.39Å; L8-L12 PolarHBondContact O-N 3.35Å
9	A	87.4	Confident	80.8	Confident	47 Å²	47	61.4 Å²	61.4	39%	0.388	38%	0.383	S	S	.	.	H	α-helix	trans	-64.2	-48.4	174.3	0	0	0	0	0	112.1	G5 L6 Q7 T11 L12 V13	G5-A9 VanDerWaalsContact O-CB 3.28Å; G5-A9 WeakPolarHBondContact O-CB 3.16Å; G5-A9 PolarHBondContact O-N 3.36Å; L6-A9 PolarHBondContact O-N 2.96Å; Q7-A9 VanDerWaalsContact C-N 3.32Å; Q7-A9 PolarHBondContact O-N 2.97Å; A9-T11 VanDerWaalsContact C-N 3.3Å; A9-T11 PolarHBondContact O-N 3.26Å; A9-L12 PolarHBondContact O-N 2.8Å; A9-V13 WeakPolarHBondContact O-CB 3.2Å; A9-V13 VanDerWaalsContact O-CG2 3.26Å; A9-V13 WeakPolarHBondContact O-CG2 3.36Å; A9-V13 PolarHBondContact O-N 3.31Å
10	T	86.5	Confident	81	Confident	19 Å²	19	66 Å²	66	12%	0.117	40%	0.396	C	S	.	.	H	α-helix	trans	-62.9	-38.2	-179.4	55.5	0	0	0	0	111.8	L6 Q7 A14 I126 N127	L6-T10 HydrophobicContact CD1-CG2 4.32Å; L6-T10 WeakPolarHBondContact O-CG2 2.89Å; L6-T10 PolarHBondContact O-N 3.11Å; L6-T10 PolarHBondContact O-OG1 2.9Å; Q7-T10 PolarHBondContact O-N 3.14Å; Q7-T10 PolarHBondContact O-OG1 2.8Å; Q7-T10 VanDerWaalsContact O-OG1 3.06Å; T10-A14 WeakPolarHBondContact O-CB 3.23Å; T10-A14 PolarHBondContact O-N 3.42Å; T10-I126 HydrophobicContact CG2-CG2 3.88Å; T10-N127 PolarHBondContact OG1-OD1 2.85Å
11	T	89	Confident	80.7	Confident	15 Å²	15	65.7 Å²	65.7	9%	0.092	40%	0.395	C	S	.	.	H	α-helix	trans	-72.8	-36.9	176.6	55.3	0	0	0	0	114.2	Q7 L8 A9 A14 A15 V123 L169	Q7-T11 WeakPolarHBondContact O-CB 3.2Å; Q7-T11 VanDerWaalsContact O-CG2 3.3Å; Q7-T11 WeakPolarHBondContact O-CG2 3Å; Q7-T11 PolarHBondContact O-N 2.71Å; Q7-T11 PolarHBondContact O-OG1 3.08Å; L8-T11 WeakPolarHBondContact CA-OG1 3.32Å; L8-T11 PolarHBondContact O-OG1 3.23Å; A9-T11 VanDerWaalsContact C-N 3.3Å; A9-T11 PolarHBondContact O-N 3.26Å; T11-A14 PolarHBondContact O-N 3.49Å; T11-A15 WeakPolarHBondContact O-CB 3.49Å; T11-A15 PolarHBondContact O-N 3Å; T11-V123 HydrophobicContact CG2-CG1 4.24Å; T11-L169 HydrophobicContact CG2-CB 4.17Å; T11-L169 HydrophobicContact CG2-CD2 3.4Å; T11-L169 HydrophobicContact CG2-CG 3.64Å; T11-L169 WeakPolarHBondContact OG1-CD2 3.5Å
12	L	90	Very high	81.9	Confident	112 Å²	112	56.5 Å²	56.5	59%	0.586	35%	0.35	S	S	*	.	H	α-helix	trans	-64.3	-44.5	172.7	-169	162.1	0	0	0	110.5	L8 A9 A14 A15 S16	L8-L12 VanDerWaalsContact O-CB 3.29Å; L8-L12 WeakPolarHBondContact O-CB 3.39Å; L8-L12 PolarHBondContact O-N 3.35Å; A9-L12 PolarHBondContact O-N 2.8Å; L12-A14 VanDerWaalsContact C-N 3.34Å; L12-A14 PolarHBondContact O-N 3.15Å; L12-A15 PolarHBondContact O-N 3.21Å; L12-S16 WeakPolarHBondContact O-CB 3.46Å; L12-S16 PolarHBondContact O-N 3.08Å
13	V	88.4	Confident	82.3	Confident	85 Å²	85	57.4 Å²	57.4	52%	0.515	35%	0.346	S	S	.	.	H	α-helix	trans	-58.1	-47.9	173.9	170.7	0	0	0	0	110	A9 A15 S16 V17	A9-V13 WeakPolarHBondContact O-CB 3.2Å; A9-V13 VanDerWaalsContact O-CG2 3.26Å; A9-V13 WeakPolarHBondContact O-CG2 3.36Å; A9-V13 PolarHBondContact O-N 3.31Å; V13-A15 PolarHBondContact O-N 3.12Å; V13-S16 WeakPolarHBondContact O-CB 3.08Å; V13-S16 PolarHBondContact O-N 3.29Å; V13-S16 VanDerWaalsContact O-N 3.14Å; V13-S16 PolarHBondContact O-OG 3.19Å; V13-V17 HydrophobicContact CG1-CG2 4.39Å; V13-V17 WeakPolarHBondContact O-CG2 3.46Å; V13-V17 PolarHBondContact O-N 3.07Å
14	A	87	Confident	82.9	Confident	6 Å²	6	64.2 Å²	64.2	5%	0.05	37%	0.373	C	S	.	.	H	α-helix	trans	-61.9	-42.4	178.3	0	0	0	0	0	113.4	T10 T11 L12 S16 V17 L18 V123 W173	T10-A14 WeakPolarHBondContact O-CB 3.23Å; T10-A14 PolarHBondContact O-N 3.42Å; T11-A14 PolarHBondContact O-N 3.49Å; L12-A14 VanDerWaalsContact C-N 3.34Å; L12-A14 PolarHBondContact O-N 3.15Å; A14-S16 VanDerWaalsContact C-N 3.29Å; A14-S16 PolarHBondContact O-N 2.91Å; A14-V17 PolarHBondContact O-N 3.24Å; A14-L18 WeakPolarHBondContact O-CB 3.12Å; A14-L18 PolarHBondContact O-N 2.93Å; A14-V123 HydrophobicContact CB-CG2 3.19Å; A14-W173 HydrophobicContact CB-CH2 4.48Å; A14-W173 HydrophobicContact CB-CZ2 4.38Å
15	A	87.9	Confident	83.3	Confident	45 Å²	45	67.4 Å²	67.4	37%	0.372	38%	0.384	S	S	.	.	H	α-helix	trans	-63.4	-36.6	174.6	0	0	0	0	0	111.7	T11 L12 V13 S19 W173	T11-A15 WeakPolarHBondContact O-CB 3.49Å; T11-A15 PolarHBondContact O-N 3Å; L12-A15 PolarHBondContact O-N 3.21Å; V13-A15 PolarHBondContact O-N 3.12Å; A15-S19 WeakPolarHBondContact O-CB 3.17Å; A15-S19 PolarHBondContact O-N 3.18Å; A15-S19 PolarHBondContact O-OG 3.07Å; A15-W173 HydrophobicContact CB-CH2 4.4Å; A15-W173 HydrophobicContact CB-CZ2 4.46Å
16	S	88.2	Confident	83.5	Confident	46 Å²	46	65.6 Å²	65.6	32%	0.322	37%	0.365	S	S	.	.	H	α-helix	trans	-68	-38.2	174.4	81	0	0	0	0	112.4	L12 V13 A14 S19 K20	L12-S16 WeakPolarHBondContact O-CB 3.46Å; L12-S16 PolarHBondContact O-N 3.08Å; V13-S16 WeakPolarHBondContact O-CB 3.08Å; V13-S16 PolarHBondContact O-N 3.29Å; V13-S16 VanDerWaalsContact O-N 3.14Å; V13-S16 PolarHBondContact O-OG 3.19Å; A14-S16 VanDerWaalsContact C-N 3.29Å; A14-S16 PolarHBondContact O-N 2.91Å; S16-S19 WeakPolarHBondContact CA-OG 3.23Å; S16-S19 PolarHBondContact O-OG 3.07Å; S16-S19 VanDerWaalsContact O-OG 3.09Å; S16-K20 WeakPolarHBondContact O-CB 3.24Å; S16-K20 PolarHBondContact O-N 3.38Å
17	V	86.1	Confident	83.7	Confident	60 Å²	60	65.3 Å²	65.3	36%	0.364	36%	0.361	S	S	.	.	H	α-helix	trans	-66.4	-47.2	173.9	169.7	0	0	0	0	109.9	V13 A14 S19 K20 V21	V13-V17 HydrophobicContact CG1-CG2 4.39Å; V13-V17 WeakPolarHBondContact O-CG2 3.46Å; V13-V17 PolarHBondContact O-N 3.07Å; A14-V17 PolarHBondContact O-N 3.24Å; V17-S19 VanDerWaalsContact C-N 3.3Å; V17-S19 PolarHBondContact O-N 3.39Å; V17-K20 PolarHBondContact O-N 3.01Å; V17-V21 HydrophobicContact CB-CG2 4.3Å; V17-V21 HydrophobicContact CG1-CB 3.91Å; V17-V21 HydrophobicContact CG1-CG1 4.46Å; V17-V21 HydrophobicContact CG1-CG2 3.93Å; V17-V21 HydrophobicContact CG2-CG2 4.42Å; V17-V21 WeakPolarHBondContact O-CA 3.17Å; V17-V21 WeakPolarHBondContact O-CB 3.38Å; V17-V21 PolarHBondContact O-N 3.24Å
18	L	86.7	Confident	83.8	Confident	27 Å²	27	65 Å²	65	14%	0.141	36%	0.36	C	S	.	.	H	α-helix	trans	-63	-36.3	179.2	-171.9	69.8	0	0	0	111.9	A14 I22 F116 W173	A14-L18 WeakPolarHBondContact O-CB 3.12Å; A14-L18 PolarHBondContact O-N 2.93Å; L18-I22 HydrophobicContact CD1-CD1 3.97Å; L18-I22 WeakPolarHBondContact O-CB 3.34Å; L18-I22 WeakPolarHBondContact O-CG2 3.35Å; L18-F116 HydrophobicContact CD2-CD2 3.74Å; L18-F116 HydrophobicContact CD2-CE2 4.14Å; L18-W173 HydrophobicContact CD2-CZ3 4.33Å
19	S	85.5	Confident	83.8	Confident	82 Å²	82	62.7 Å²	62.7	57%	0.573	35%	0.346	S	S	*	.	H	α-helix	trans	-78.9	-33.4	179.2	52.8	0	0	0	0	114	A15 S16 V17	A15-S19 WeakPolarHBondContact O-CB 3.17Å; A15-S19 PolarHBondContact O-N 3.18Å; A15-S19 PolarHBondContact O-OG 3.07Å; S16-S19 WeakPolarHBondContact CA-OG 3.23Å; S16-S19 PolarHBondContact O-OG 3.07Å; S16-S19 VanDerWaalsContact O-OG 3.09Å; V17-S19 VanDerWaalsContact C-N 3.3Å; V17-S19 PolarHBondContact O-N 3.39Å
20	K	83.9	Confident	83.6	Confident	152 Å²	152	65 Å²	65	66%	0.661	35%	0.347	S	S	*	.	H	α-helix	trans	-107.2	-32.9	-173.5	-65.6	-176.4	175.4	-178.3	0	115.1	S16 V17 S23 F24	S16-K20 WeakPolarHBondContact O-CB 3.24Å; S16-K20 PolarHBondContact O-N 3.38Å; V17-K20 PolarHBondContact O-N 3.01Å; K20-S23 PolarHBondContact O-OG 3.16Å; K20-F24 WeakPolarHBondContact O-CD2 3.2Å
21	V	75.7	Confident	83.4	Confident	60 Å²	60	64.9 Å²	64.9	36%	0.364	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-32.3	-174.4	179.9	0	0	0	0	111.4	V17 S23 F24 F25	V17-V21 HydrophobicContact CB-CG2 4.3Å; V17-V21 HydrophobicContact CG1-CB 3.91Å; V17-V21 HydrophobicContact CG1-CG1 4.46Å; V17-V21 HydrophobicContact CG1-CG2 3.93Å; V17-V21 HydrophobicContact CG2-CG2 4.42Å; V17-V21 WeakPolarHBondContact O-CA 3.17Å; V17-V21 WeakPolarHBondContact O-CB 3.38Å; V17-V21 PolarHBondContact O-N 3.24Å; V21-S23 PolarHBondContact O-N 2.78Å; V21-S23 VanDerWaalsContact O-N 3.08Å; V21-F24 PolarHBondContact O-N 3.2Å; V21-F25 HydrophobicContact CG1-CB 4.16Å; V21-F25 PolarHBondContact O-N 3.43Å
22	I	76.5	Confident	83.1	Confident	23 Å²	23	64.3 Å²	64.3	12%	0.118	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.5	-179.6	-157.2	167.1	0	0	0	112.9	L18 F24 W112 D115	L18-I22 HydrophobicContact CD1-CD1 3.97Å; L18-I22 WeakPolarHBondContact O-CB 3.34Å; L18-I22 WeakPolarHBondContact O-CG2 3.35Å; I22-F24 VanDerWaalsContact C-N 3.31Å; I22-W112 HydrophobicContact CD1-CE3 4.27Å; I22-W112 HydrophobicContact CD1-CZ3 4.26Å; I22-D115 HydrophobicContact CD1-CB 3.36Å; I22-D115 WeakPolarHBondContact CD1-OD2 3.3Å; I22-D115 HydrophobicContact CG1-CB 3.88Å; I22-D115 WeakPolarHBondContact CG1-OD2 3.49Å
23	S	72.3	Confident	82.6	Confident	84 Å²	84	61.5 Å²	61.5	59%	0.587	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-21.3	175.7	58.7	0	0	0	0	113.5	K20 V21	K20-S23 PolarHBondContact O-OG 3.16Å; V21-S23 PolarHBondContact O-N 2.78Å; V21-S23 VanDerWaalsContact O-N 3.08Å
24	F	75.4	Confident	82.3	Confident	183 Å²	183	59.8 Å²	59.8	80%	0.803	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	-39.1	-177.6	-63.4	-72.1	0	0	0	113.3	K20 V21 I22	K20-F24 WeakPolarHBondContact O-CD2 3.2Å; V21-F24 PolarHBondContact O-N 3.2Å; I22-F24 VanDerWaalsContact C-N 3.31Å
25	F	77.8	Confident	82.2	Confident	142 Å²	142	59.9 Å²	59.9	62%	0.623	33%	0.334	S	S	*	.			trans	-134.8	95.2	-176.7	-169.5	-95.2	0	0	0	109.9	V21	V21-F25 HydrophobicContact CG1-CB 4.16Å; V21-F25 PolarHBondContact O-N 3.43Å
26	S	82	Confident	81.9	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.014	33%	0.329	C	S	.	.			trans	-92.8	131.7	171.7	173.1	0	0	0	0	110.3	T28 H29 F30 D115	S26-T28 PolarHBondContact O-N 2.79Å; S26-T28 WeakPolarHBondContact OG-CB 3.5Å; S26-T28 PolarHBondContact OG-N 3.12Å; S26-H29 WeakPolarHBondContact O-CB 3.43Å; S26-H29 PolarHBondContact O-N 2.64Å; S26-F30 PolarHBondContact O-N 3.35Å; S26-D115 VanDerWaalsContact CB-OD2 3.25Å; S26-D115 WeakPolarHBondContact CB-OD2 3.14Å; S26-D115 VanDerWaalsContact OG-CG 3.26Å; S26-D115 PolarHBondContact OG-OD1 3.4Å; S26-D115 PolarHBondContact OG-OD2 3.02Å
27	F	83.9	Confident	81.8	Confident	66 Å²	66	60 Å²	60	29%	0.289	32%	0.323	S	S	.	.	H	α-helix	trans	-67.2	-23.7	174.3	-169.6	-85.3	0	0	0	111.4	H29 F30 L31 V114 D115 V118	F27-H29 VanDerWaalsContact C-N 3.27Å; F27-H29 PolarHBondContact O-N 3.07Å; F27-F30 HydrophobicContact CD2-CD1 4.33Å; F27-F30 HydrophobicContact CE1-CD1 4.41Å; F27-F30 AromaticContact CE2-CD1 3.89Å; F27-F30 HydrophobicContact CE2-CD1 3.89Å; F27-F30 HydrophobicContact CE2-CE1 4.32Å; F27-F30 AromaticContact CZ-CD1 3.95Å; F27-F30 HydrophobicContact CZ-CD1 3.95Å; F27-F30 HydrophobicContact CZ-CE1 4.32Å; F27-F30 WeakPolarHBondContact O-CA 3.3Å; F27-F30 VanDerWaalsContact O-CB 3.32Å; F27-F30 WeakPolarHBondContact O-CB 3.04Å; F27-F30 PolarHBondContact O-N 3.03Å; F27-F30 VanDerWaalsContact O-N 3.07Å; F27-L31 HydrophobicContact CD1-CD1 4.12Å; F27-L31 HydrophobicContact CD1-CG 3.97Å; F27-L31 HydrophobicContact CE1-CD1 4.09Å; F27-L31 HydrophobicContact CE1-CD2 3.92Å; F27-L31 HydrophobicContact CE1-CG 3.81Å; F27-L31 PolarHBondContact O-N 2.93Å; F27-V114 HydrophobicContact CB-CG1 4.01Å; F27-V114 HydrophobicContact CD1-CG1 3.4Å; F27-V114 VanDerWaalsContact CD1-CG1 3.4Å; F27-V114 HydrophobicContact CE1-CG1 4.31Å; F27-V114 HydrophobicContact CG-CG1 4.14Å; F27-D115 WeakPolarHBondContact CA-OD1 3.44Å; F27-D115 WeakPolarHBondContact CB-OD1 3.43Å; F27-D115 PolarHBondContact N-OD1 3.45Å; F27-V118 HydrophobicContact CD1-CG2 3.9Å; F27-V118 HydrophobicContact CD2-CG1 4.25Å; F27-V118 HydrophobicContact CD2-CG2 4.38Å; F27-V118 HydrophobicContact CE1-CG2 4.11Å; F27-V118 HydrophobicContact CG-CG1 4.49Å; F27-V118 HydrophobicContact CG-CG2 4.02Å; F27-V118 HydrophobicContact CZ-CG2 4.45Å
28	T	84	Confident	81.7	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-59.5	-38.7	167.8	-75.2	0	0	0	0	112	S26 F30 L31 I32 Y107 H110 Q111 V114 D115	S26-T28 PolarHBondContact O-N 2.79Å; S26-T28 WeakPolarHBondContact OG-CB 3.5Å; S26-T28 PolarHBondContact OG-N 3.12Å; T28-F30 VanDerWaalsContact C-N 3.32Å; T28-F30 PolarHBondContact O-N 2.89Å; T28-L31 PolarHBondContact O-N 3.38Å; T28-I32 HydrophobicContact CG2-CD1 3.83Å; T28-I32 WeakPolarHBondContact O-CG1 3.45Å; T28-I32 PolarHBondContact O-N 3.19Å; T28-Y107 HydrophobicContact CG2-CE2 3.85Å; T28-H110 WeakPolarHBondContact CG2-CD2 3.26Å; T28-H110 WeakPolarHBondContact CG2-NE2 3.49Å; T28-H110 PolarHBondContact OG1-O 2.89Å; T28-Q111 WeakPolarHBondContact OG1-CA 3.48Å; T28-V114 VanDerWaalsContact OG1-CB 3.32Å; T28-V114 WeakPolarHBondContact OG1-CB 3.37Å; T28-D115 PolarHBondContact N-OD1 3.26Å
29	H	84.7	Confident	81.5	Confident	60 Å²	60	59.3 Å²	59.3	28%	0.278	32%	0.319	S	S	.	.	H	α-helix	trans	-64	-39	172.2	-71	-58.4	0	0	0	111.8	S26 F27 L31 I32 A33 Y107	S26-H29 WeakPolarHBondContact O-CB 3.43Å; S26-H29 PolarHBondContact O-N 2.64Å; F27-H29 VanDerWaalsContact C-N 3.27Å; F27-H29 PolarHBondContact O-N 3.07Å; H29-L31 PolarHBondContact O-N 3.39Å; H29-I32 PolarHBondContact O-N 3.41Å; H29-A33 WeakPolarHBondContact O-CB 3.36Å; H29-A33 PolarHBondContact O-N 2.84Å; H29-Y107 PolarHBondContact CE1-OH 3.49Å; H29-Y107 PolarHBondContact NE2-OH 3.35Å; H29-Y107 VanDerWaalsContact NE2-OH 3.16Å
30	F	83.4	Confident	81.4	Confident	96 Å²	96	58.6 Å²	58.6	42%	0.421	31%	0.31	S	S	.	.	H	α-helix	trans	-58	-50.1	173.9	-179.2	-105.5	0	0	0	110.2	S26 F27 T28 I32 A33 R396	S26-F30 PolarHBondContact O-N 3.35Å; F27-F30 HydrophobicContact CD2-CD1 4.33Å; F27-F30 HydrophobicContact CE1-CD1 4.41Å; F27-F30 AromaticContact CE2-CD1 3.89Å; F27-F30 HydrophobicContact CE2-CD1 3.89Å; F27-F30 HydrophobicContact CE2-CE1 4.32Å; F27-F30 AromaticContact CZ-CD1 3.95Å; F27-F30 HydrophobicContact CZ-CD1 3.95Å; F27-F30 HydrophobicContact CZ-CE1 4.32Å; F27-F30 WeakPolarHBondContact O-CA 3.3Å; F27-F30 VanDerWaalsContact O-CB 3.32Å; F27-F30 WeakPolarHBondContact O-CB 3.04Å; F27-F30 PolarHBondContact O-N 3.03Å; F27-F30 VanDerWaalsContact O-N 3.07Å; T28-F30 VanDerWaalsContact C-N 3.32Å; T28-F30 PolarHBondContact O-N 2.89Å; F30-I32 PolarHBondContact O-N 3.48Å; F30-I32 VanDerWaalsContact O-N 3.11Å; F30-A33 PolarHBondContact O-N 3.48Å; F30-R396 VanDerWaalsContact C-NH2 3.28Å; F30-R396 VanDerWaalsContact CE1-NH1 3.34Å; F30-R396 PolarHBondContact O-NE 2.91Å; F30-R396 PolarHBondContact O-NH2 3.41Å
31	L	82.9	Confident	81.3	Confident	17 Å²	17	51.4 Å²	51.4	9%	0.089	28%	0.279	C	S	.	.	H	α-helix	trans	-57.7	-30.6	-179.7	-71	176.6	0	0	0	114	F27 T28 H29 V114 V395 R396 I444	F27-L31 HydrophobicContact CD1-CD1 4.12Å; F27-L31 HydrophobicContact CD1-CG 3.97Å; F27-L31 HydrophobicContact CE1-CD1 4.09Å; F27-L31 HydrophobicContact CE1-CD2 3.92Å; F27-L31 HydrophobicContact CE1-CG 3.81Å; F27-L31 PolarHBondContact O-N 2.93Å; T28-L31 PolarHBondContact O-N 3.38Å; H29-L31 PolarHBondContact O-N 3.39Å; L31-V114 HydrophobicContact CD1-CG1 3.98Å; L31-V114 HydrophobicContact CD1-CG2 4.17Å; L31-V395 HydrophobicContact CD2-CG1 4.49Å; L31-R396 HydrophobicContact CD2-CG 4.34Å; L31-R396 WeakPolarHBondContact O-CG 3.43Å; L31-I444 HydrophobicContact CD1-CD1 3.72Å
32	I	83.4	Confident	81.7	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.015	28%	0.284	C	S	.	.	H	α-helix	trans	-103	-22.2	-173.7	-51.1	165.1	0	0	0	112.8	T28 H29 F30 G34 L35 V96 I101 L399 L436	T28-I32 HydrophobicContact CG2-CD1 3.83Å; T28-I32 WeakPolarHBondContact O-CG1 3.45Å; T28-I32 PolarHBondContact O-N 3.19Å; H29-I32 PolarHBondContact O-N 3.41Å; F30-I32 PolarHBondContact O-N 3.48Å; F30-I32 VanDerWaalsContact O-N 3.11Å; I32-G34 PolarHBondContact O-N 3.25Å; I32-L35 WeakPolarHBondContact O-CD1 3.16Å; I32-L35 PolarHBondContact O-N 2.86Å; I32-V96 HydrophobicContact CG2-CG1 4.43Å; I32-I101 HydrophobicContact CB-CD1 4.07Å; I32-I101 HydrophobicContact CD1-CD1 4.39Å; I32-I101 HydrophobicContact CD1-CG2 3.99Å; I32-I101 HydrophobicContact CG2-CD1 3.29Å; I32-I101 HydrophobicContact CG2-CG1 4.3Å; I32-L399 HydrophobicContact CG1-CD2 4.41Å; I32-L436 HydrophobicContact CG2-CD2 4.37Å
33	A	79.7	Confident	82	Confident	53 Å²	53	54 Å²	54	44%	0.438	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	129.4	177.3	0	0	0	0	0	110.8	H29 F30	H29-A33 WeakPolarHBondContact O-CB 3.36Å; H29-A33 PolarHBondContact O-N 2.84Å; F30-A33 PolarHBondContact O-N 3.48Å
34	G	80.7	Confident	82.4	Confident	49 Å²	49	56.2 Å²	56.2	51%	0.505	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.3	-7.6	-179.5	0	0	0	0	0	115	I32 H95	I32-G34 PolarHBondContact O-N 3.25Å; G34-H95 VanDerWaalsContact CA-NE2 3.32Å; G34-H95 WeakPolarHBondContact CA-NE2 3.41Å
35	L	85	Confident	82.7	Confident	7 Å²	7	50.3 Å²	50.3	4%	0.037	27%	0.27	C	S	.	.			trans	-72.5	142.2	177.4	-86	70.7	0	0	0	111.4	I32 V96 L399 L403	I32-L35 WeakPolarHBondContact O-CD1 3.16Å; I32-L35 PolarHBondContact O-N 2.86Å; L35-V96 HydrophobicContact CB-CG2 4.17Å; L35-V96 WeakPolarHBondContact O-CG2 3.36Å; L35-V96 PolarHBondContact O-N 3.05Å; L35-L399 HydrophobicContact CD2-CB 3.79Å; L35-L399 HydrophobicContact CD2-CD2 3.44Å; L35-L399 VanDerWaalsContact CD2-CD2 3.44Å; L35-L399 HydrophobicContact CD2-CG 3.41Å; L35-L399 VanDerWaalsContact CD2-CG 3.41Å; L35-L403 HydrophobicContact CB-CD1 4.01Å; L35-L403 HydrophobicContact CD2-CD1 3.84Å; L35-L403 HydrophobicContact CG-CD1 4.41Å
36	T	83	Confident	82.8	Confident	45 Å²	45	43.6 Å²	43.6	28%	0.276	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	131.9	173.5	60.9	0	0	0	0	109.7	Q400 L403	T36-Q400 PolarHBondContact O-NE2 3.45Å; T36-Q400 PolarHBondContact OG1-NE2 3.34Å; T36-L403 WeakPolarHBondContact O-CD1 3.47Å
37	R	84.3	Confident	82.7	Confident	50 Å²	50	44.8 Å²	44.8	19%	0.189	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	156.8	175.2	63.2	170.5	-178.1	169.7	-2.3	110.3	Q93 S94 V96 D100 L403	R37-Q93 CarbonylContact O-C 3.46Å; R37-Q93 WeakPolarHBondContact O-CA 3.25Å; R37-S94 WeakPolarHBondContact CG-O 3.48Å; R37-S94 PolarHBondContact N-O 3.39Å; R37-S94 PolarHBondContact O-N 3.02Å; R37-V96 HydrophobicContact CB-CG2 3.74Å; R37-V96 HydrophobicContact CG-CG2 3.78Å; R37-D100 IonicContact CZ-OD2 3.08Å; R37-D100 IonicContact NH1-OD2 3.87Å; R37-D100 IonicContact NH2-OD2 3.93Å; R37-D100 PolarHBondContact NH2-OD2 3.17Å; R37-L403 HydrophobicContact CB-CD1 4.4Å; R37-L403 HydrophobicContact CB-CD2 4.31Å
38	Y	84.2	Confident	82.6	Confident	42 Å²	42	47.5 Å²	47.5	17%	0.165	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	128.4	163.4	-71.2	-70	0	0	0	110	L91 Q93 N404 A406 Q407	Y38-L91 HydrophobicContact CD1-CB 3.36Å; Y38-L91 HydrophobicContact CD1-CD1 4.35Å; Y38-L91 HydrophobicContact CD1-CG 4.49Å; Y38-L91 WeakPolarHBondContact CD1-O 3.3Å; Y38-L91 HydrophobicContact CE1-CB 4.12Å; Y38-L91 HydrophobicContact CG-CB 3.84Å; Y38-L91 HydrophobicContact CG-CD1 4.03Å; Y38-Q93 HydrophobicContact CD1-CG 3.87Å; Y38-Q93 HydrophobicContact CE1-CG 3.55Å; Y38-N404 WeakPolarHBondContact CE2-O 3.31Å; Y38-A406 HydrophobicContact CD2-CB 3.93Å; Y38-Q407 HydrophobicContact CD2-CB 4.48Å; Y38-Q407 HydrophobicContact CE2-CB 3.82Å
39	A	84	Confident	82.2	Confident	30 Å²	30	49.8 Å²	49.8	25%	0.248	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-70.2	145	174.2	0	0	0	0	0	110	K92	A39-K92 PolarHBondContact N-O 2.86Å
40	V	83.8	Confident	81.7	Confident	66 Å²	66	47.8 Å²	47.8	40%	0.4	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-60.9	127.5	173.1	178.2	0	0	0	0	108.2	T42 Q426 A430	V40-T42 PolarHBondContact O-N 3.45Å; V40-Q426 HydrophobicContact CG1-CB 3.72Å; V40-Q426 HydrophobicContact CG1-CG 3.63Å; V40-A430 HydrophobicContact CG2-CB 4.03Å
41	P	80.7	Confident	81	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.006	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-66.4	131	-177.8	27	-33.1	0	0	0	109.8	L46 L91 V425 Q426	P41-L46 HydrophobicContact CB-CD1 4.38Å; P41-L46 HydrophobicContact CB-CD2 3.95Å; P41-L46 HydrophobicContact CB-CG 4.02Å; P41-L46 HydrophobicContact CG-CD1 4.3Å; P41-L46 HydrophobicContact CG-CD2 4.11Å; P41-L46 HydrophobicContact CG-CG 4.38Å; P41-L91 HydrophobicContact CB-CD2 4.06Å; P41-L91 HydrophobicContact CG-CD2 3.93Å; P41-V425 HydrophobicContact CG-CG1 4.08Å; P41-Q426 HydrophobicContact CG-CG 4.4Å; P41-Q426 WeakPolarHBondContact O-CG 2.97Å; P41-Q426 PolarHBondContact O-NE2 2.82Å
42	T	84.2	Confident	80.1	Confident	77 Å²	77	48.9 Å²	48.9	47%	0.472	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-73.6	153.8	177.1	61.5	0	0	0	0	110.7	V40 Q44 Q45 L46	V40-T42 PolarHBondContact O-N 3.45Å; T42-Q44 PolarHBondContact O-N 3.5Å; T42-Q44 VanDerWaalsContact O-N 3.12Å; T42-Q45 PolarHBondContact O-N 3.32Å; T42-Q45 PolarHBondContact OG1-N 2.73Å; T42-L46 PolarHBondContact O-N 3.11Å
43	D	83.6	Confident	78.4	Confident	61 Å²	61	52 Å²	52	33%	0.326	32%	0.317	S	S	.	.	H	α-helix	trans	-51	-36.9	175.3	-67.5	17.2	0	0	0	112.7	L47 F81 N422 Q426	D43-L47 WeakPolarHBondContact O-CB 3.46Å; D43-L47 VanDerWaalsContact O-CG 3.23Å; D43-L47 WeakPolarHBondContact O-CG 3.4Å; D43-L47 PolarHBondContact O-N 3.37Å; D43-L47 VanDerWaalsContact O-N 3.08Å; D43-F81 HydrophobicContact CB-CE1 3.81Å; D43-F81 HydrophobicContact CB-CZ 4.27Å; D43-F81 WeakPolarHBondContact O-CZ 3.42Å; D43-N422 PolarHBondContact OD1-ND2 2.98Å; D43-Q426 PolarHBondContact OD1-NE2 3.33Å
44	Q	80.7	Confident	76.9	Confident	131 Å²	131	58.6 Å²	58.6	61%	0.612	34%	0.336	S	S	*	.	H	α-helix	trans	-67.1	-46.3	177.4	-68	179.9	-14.9	0	0	111.8	T42 L46 L47 E48	T42-Q44 PolarHBondContact O-N 3.5Å; T42-Q44 VanDerWaalsContact O-N 3.12Å; Q44-L46 VanDerWaalsContact C-N 3.3Å; Q44-L46 PolarHBondContact O-N 2.69Å; Q44-L47 PolarHBondContact O-N 2.98Å; Q44-E48 WeakPolarHBondContact O-CG 3.42Å; Q44-E48 PolarHBondContact O-N 3.45Å
45	Q	80.7	Confident	75.3	Confident	59 Å²	59	61.5 Å²	61.5	28%	0.276	34%	0.344	S	S	.	.	H	α-helix	trans	-63.2	-36.5	179.1	-172.9	177.5	-5.1	0	0	112.1	T42 A49 H90	T42-Q45 PolarHBondContact O-N 3.32Å; T42-Q45 PolarHBondContact OG1-N 2.73Å; Q45-A49 VanDerWaalsContact O-CB 3.3Å; Q45-A49 WeakPolarHBondContact O-CB 3.43Å; Q45-A49 PolarHBondContact O-N 3.38Å; Q45-H90 PolarHBondContact NE2-O 3.11Å; Q45-H90 VanDerWaalsContact NE2-O 3.15Å
46	L	80.4	Confident	73.3	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-70.7	-36.6	175.7	-66.7	172.2	0	0	0	112.4	P41 T42 Q44 S50 F81 F83 I89 N422 V425	P41-L46 HydrophobicContact CB-CD1 4.38Å; P41-L46 HydrophobicContact CB-CD2 3.95Å; P41-L46 HydrophobicContact CB-CG 4.02Å; P41-L46 HydrophobicContact CG-CD1 4.3Å; P41-L46 HydrophobicContact CG-CD2 4.11Å; P41-L46 HydrophobicContact CG-CG 4.38Å; T42-L46 PolarHBondContact O-N 3.11Å; Q44-L46 VanDerWaalsContact C-N 3.3Å; Q44-L46 PolarHBondContact O-N 2.69Å; L46-S50 WeakPolarHBondContact O-CB 3.38Å; L46-S50 PolarHBondContact O-N 3.26Å; L46-S50 PolarHBondContact O-OG 3.26Å; L46-F81 HydrophobicContact CB-CE2 4.07Å; L46-F81 HydrophobicContact CB-CZ 3.91Å; L46-F83 HydrophobicContact CB-CE1 4.34Å; L46-F83 HydrophobicContact CD1-CE1 4.27Å; L46-F83 HydrophobicContact CD1-CZ 4.5Å; L46-F83 HydrophobicContact CD2-CE1 4.43Å; L46-F83 HydrophobicContact CD2-CZ 3.99Å; L46-I89 HydrophobicContact CD2-CD1 3.38Å; L46-I89 HydrophobicContact CD2-CG1 4Å; L46-I89 HydrophobicContact CD2-CG2 4.15Å; L46-N422 HydrophobicContact CD1-CB 4.06Å; L46-N422 WeakPolarHBondContact CD1-OD1 3.37Å; L46-V425 HydrophobicContact CD2-CG1 4.36Å
47	L	80.3	Confident	71.2	Confident	27 Å²	27	73.7 Å²	73.7	14%	0.141	40%	0.399	C	S	.	.	H	α-helix	trans	-68	-38	173.8	-73.1	169.5	0	0	0	112.3	D43 Q44 S50 G51 N52 F81	D43-L47 WeakPolarHBondContact O-CB 3.46Å; D43-L47 VanDerWaalsContact O-CG 3.23Å; D43-L47 WeakPolarHBondContact O-CG 3.4Å; D43-L47 PolarHBondContact O-N 3.37Å; D43-L47 VanDerWaalsContact O-N 3.08Å; Q44-L47 PolarHBondContact O-N 2.98Å; L47-S50 WeakPolarHBondContact CA-OG 3.43Å; L47-S50 PolarHBondContact O-OG 2.81Å; L47-G51 PolarHBondContact O-N 2.95Å; L47-N52 HydrophobicContact CD2-CB 4.34Å; L47-N52 PolarHBondContact O-N 3.45Å; L47-N52 VanDerWaalsContact O-N 3.08Å; L47-F81 HydrophobicContact CD1-CE1 4.31Å; L47-F81 HydrophobicContact CD1-CZ 4.34Å; L47-F81 HydrophobicContact CD2-CD1 4.46Å; L47-F81 HydrophobicContact CD2-CD2 3.7Å; L47-F81 HydrophobicContact CD2-CE1 4.39Å; L47-F81 HydrophobicContact CD2-CE2 3.64Å; L47-F81 HydrophobicContact CD2-CG 4.12Å; L47-F81 HydrophobicContact CD2-CZ 4.01Å; L47-F81 HydrophobicContact CG-CD2 4.31Å; L47-F81 HydrophobicContact CG-CE1 4.11Å; L47-F81 HydrophobicContact CG-CE2 3.78Å; L47-F81 HydrophobicContact CG-CZ 3.67Å
48	E	81.1	Confident	68.9	Low	124 Å²	124	80.9 Å²	80.9	58%	0.579	43%	0.431	S	S	*	.	H	α-helix	trans	-66.1	-48.3	174.5	-75	171.9	-172.8	0	0	111.3	Q44 S50 G51	Q44-E48 WeakPolarHBondContact O-CG 3.42Å; Q44-E48 PolarHBondContact O-N 3.45Å; E48-S50 VanDerWaalsContact C-N 3.33Å; E48-S50 PolarHBondContact O-N 3.42Å; E48-G51 PolarHBondContact O-N 3.15Å; E48-G51 VanDerWaalsContact O-N 3.12Å
49	A	75.9	Confident	66.5	Low	47 Å²	47	81.7 Å²	81.7	39%	0.388	45%	0.452	S	S	.	.	H	α-helix	trans	-62.5	-38.9	179.4	0	0	0	0	0	112.3	Q45 G51 T87 I89	Q45-A49 VanDerWaalsContact O-CB 3.3Å; Q45-A49 WeakPolarHBondContact O-CB 3.43Å; Q45-A49 PolarHBondContact O-N 3.38Å; A49-G51 PolarHBondContact O-N 3.04Å; A49-T87 HydrophobicContact CB-CG2 3.65Å; A49-T87 VanDerWaalsContact O-CG2 3.26Å; A49-T87 WeakPolarHBondContact O-CG2 3.48Å; A49-I89 HydrophobicContact CB-CG1 4.15Å
50	S	73.9	Confident	64.2	Low	19 Å²	19	89.8 Å²	89.8	13%	0.133	48%	0.482	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-3.2	177.7	57.8	0	0	0	0	114.4	L46 L47 E48 N52	L46-S50 WeakPolarHBondContact O-CB 3.38Å; L46-S50 PolarHBondContact O-N 3.26Å; L46-S50 PolarHBondContact O-OG 3.26Å; L47-S50 WeakPolarHBondContact CA-OG 3.43Å; L47-S50 PolarHBondContact O-OG 2.81Å; E48-S50 VanDerWaalsContact C-N 3.33Å; E48-S50 PolarHBondContact O-N 3.42Å; S50-N52 PolarHBondContact O-N 3.37Å
51	G	68.8	Low	61.7	Low	56 Å²	56	97.9 Å²	97.9	58%	0.577	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	4.5	-177.9	0	0	0	0	0	114.7	L47 E48 A49 C53	L47-G51 PolarHBondContact O-N 2.95Å; E48-G51 PolarHBondContact O-N 3.15Å; E48-G51 VanDerWaalsContact O-N 3.12Å; A49-G51 PolarHBondContact O-N 3.04Å; G51-C53 VanDerWaalsContact C-N 3.25Å; G51-C53 PolarHBondContact O-N 3.27Å
52	N	62.9	Low	59.2	Low	80 Å²	80	109.5 Å²	109.5	43%	0.428	55%	0.549	S	S	.	.	G	3₁₀ helix	trans	-82.6	14.5	-174.7	-85.6	-1.1	0	0	0	114.9	L47 S50 K54 T55	L47-N52 HydrophobicContact CD2-CB 4.34Å; L47-N52 PolarHBondContact O-N 3.45Å; L47-N52 VanDerWaalsContact O-N 3.08Å; S50-N52 PolarHBondContact O-N 3.37Å; N52-K54 PolarHBondContact O-N 3.37Å; N52-T55 PolarHBondContact O-N 3.4Å; N52-T55 PolarHBondContact O-OG1 3.27Å
53	C	48.4	Very low	56.7	Low	69 Å²	69	117.4 Å²	117.4	47%	0.466	57%	0.57	S	S	.	*	G	3₁₀ helix	trans	-59.2	-11.9	176.4	-94.9	0	0	0	0	115.2	G51 T55	G51-C53 VanDerWaalsContact C-N 3.25Å; G51-C53 PolarHBondContact O-N 3.27Å; C53-T55 VanDerWaalsContact C-N 3.32Å; C53-T55 PolarHBondContact O-N 3.35Å
54	K	48	Very low	54	Low	191 Å²	191	121.5 Å²	121.5	83%	0.83	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-72.2	-12.9	178.3	-71.7	-170.7	179.2	178.8	0	115.3	N52	N52-K54 PolarHBondContact O-N 3.37Å
55	T	47.8	Very low	51.6	Low	109 Å²	109	123.4 Å²	123.4	67%	0.669	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-89.6	-17.2	-179.1	49.5	0	0	0	0	115	N52 C53	N52-T55 PolarHBondContact O-N 3.4Å; N52-T55 PolarHBondContact O-OG1 3.27Å; C53-T55 VanDerWaalsContact C-N 3.32Å; C53-T55 PolarHBondContact O-N 3.35Å
56	K	42.4	Very low	49.2	Very low	150 Å²	150	128.1 Å²	128.1	65%	0.652	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-16.2	176.1	-84	-173.3	177.9	173.6	0	115.2
57	I	39.5	Very low	46.9	Very low	159 Å²	159	136 Å²	136	82%	0.815	67%	0.674	S	S	*	*	S	Bend	trans	-81	-22.6	177.5	-62.1	178.5	0	0	0	112.3
58	K	36.4	Very low	44.5	Very low	201 Å²	201	140.6 Å²	140.6	87%	0.874	71%	0.709	S	S	*	*	S	Bend	trans	-94.3	-5.4	-178.6	-141.5	175.5	180	-179	0	115.4
59	G	33.5	Very low	41.8	Very low	58 Å²	58	138.6 Å²	138.6	60%	0.598	72%	0.721	S	S	*	*	S	Bend	trans	-102.5	-15.5	-170.3	0	0	0	0	0	117.4
60	K	35.1	Very low	39.5	Very low	201 Å²	201	141.5 Å²	141.5	87%	0.874	74%	0.738	S	S	*	*	S	Bend	trans	-91.4	4.3	-172.7	-116.5	-178.6	-178.2	-177.4	0	115.9
61	R	30.9	Very low	37.5	Very low	235 Å²	235	146 Å²	146	89%	0.887	77%	0.77	S	S	*	*	S	Bend	trans	-115.4	77.7	165.4	-93.4	-173.8	173.6	169.1	-1.5	109.7
62	R	29.6	Very low	35.6	Very low	246 Å²	246	151.2 Å²	151.2	93%	0.928	78%	0.784	S	S	*	*			trans	177.8	72.4	151.6	-98.4	168.5	-167	-150.7	4.1	107.9
63	R	31.1	Very low	33.9	Very low	242 Å²	242	150.5 Å²	150.5	91%	0.913	80%	0.796	S	S	*	*			trans	-119.9	80.4	162.6	-161.8	-177.9	-147.1	165.5	5.9	105.9
64	N	27.2	Very low	33.2	Very low	148 Å²	148	151.9 Å²	151.9	79%	0.791	80%	0.803	S	S	*	*			trans	-172.5	85.7	160.2	-94.6	2.1	0	0	0	103.6
65	D	30.4	Very low	32.5	Very low	171 Å²	171	149.1 Å²	149.1	91%	0.914	80%	0.802	S	S	*	*			trans	-157.6	119.2	138	-88	-27.9	0	0	0	107.8
66	L	30.4	Very low	31.7	Very low	157 Å²	157	149.3 Å²	149.3	82%	0.822	81%	0.806	S	S	*	*			trans	-73.7	160.7	173.5	-69	132.1	0	0	0	109.2
67	L	31.6	Very low	31.7	Very low	165 Å²	165	149.5 Å²	149.5	86%	0.864	81%	0.809	S	S	*	*			trans	104.6	136.2	151.9	-59.8	143.3	0	0	0	118.2
68	S	28.9	Very low	32.5	Very low	125 Å²	125	146.5 Å²	146.5	87%	0.874	80%	0.802	S	S	*	*			trans	73.1	115.7	-177.2	73.1	0	0	0	0	114.1
69	G	26.1	Very low	34.2	Very low	81 Å²	81	141.9 Å²	141.9	84%	0.835	79%	0.787	S	S	*	*			cis	105.9	73.2	30.7	0	0	0	0	0	108.7
70	S	27.8	Very low	36.3	Very low	109 Å²	109	140.3 Å²	140.3	76%	0.762	77%	0.766	S	S	*	*			trans	-161.1	99.3	158.2	-167.6	0	0	0	0	110.4	N72	S70-N72 PolarHBondContact O-N 2.88Å; S70-N72 VanDerWaalsContact O-N 3.14Å
71	S	31.6	Very low	38.5	Very low	113 Å²	113	132.7 Å²	132.7	79%	0.79	73%	0.733	S	S	*	*			trans	-70.5	88.6	164.7	48	0	0	0	0	109.2
72	N	27.6	Very low	40.9	Very low	165 Å²	165	128.1 Å²	128.1	88%	0.882	72%	0.717	S	S	*	*			trans	179.2	67.9	155.2	-91.9	-18.1	0	0	0	108.7	S70	S70-N72 PolarHBondContact O-N 2.88Å; S70-N72 VanDerWaalsContact O-N 3.14Å
73	G	28.3	Very low	43.4	Very low	65 Å²	65	116.6 Å²	116.6	67%	0.67	67%	0.673	S	S	*	*			trans	-139.8	102.4	173.2	0	0	0	0	0	107.5	T75	G73-T75 PolarHBondContact O-N 2.97Å; G73-T75 VanDerWaalsContact O-N 3.07Å
74	T	32.5	Very low	45.8	Very low	99 Å²	99	107.9 Å²	107.9	61%	0.607	65%	0.648	S	S	*	*			trans	-38.5	119.8	155.9	36.8	0	0	0	0	108.4	C76	T74-C76 PolarHBondContact O-N 2.69Å
75	T	33.9	Very low	48.2	Very low	133 Å²	133	102.3 Å²	102.3	82%	0.816	62%	0.616	S	S	*	*			trans	-27.3	110.3	171.5	42.6	0	0	0	0	110.9	G73 H77	G73-T75 PolarHBondContact O-N 2.97Å; G73-T75 VanDerWaalsContact O-N 3.07Å; T75-H77 PolarHBondContact O-N 3.2Å
76	C	31.9	Very low	50.4	Low	112 Å²	112	98.6 Å²	98.6	76%	0.757	60%	0.603	S	S	*	*			trans	-42	127.8	179.8	-160.5	0	0	0	0	110.9	T74 S78	T74-C76 PolarHBondContact O-N 2.69Å; C76-S78 PolarHBondContact O-N 3.04Å
77	H	41.7	Very low	52.6	Low	154 Å²	154	91.7 Å²	91.7	71%	0.713	57%	0.568	S	S	*	*			trans	-64.6	52	169.5	-92.1	-101	0	0	0	112	T75 D79	T75-H77 PolarHBondContact O-N 3.2Å; H77-D79 VanDerWaalsContact C-N 3.25Å; H77-D79 PolarHBondContact O-N 3Å
78	S	55.9	Low	54.7	Low	97 Å²	97	89 Å²	89	68%	0.678	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-12.7	-174.4	57.5	0	0	0	0	115.1	C76	C76-S78 PolarHBondContact O-N 3.04Å
79	D	71.8	Confident	57.1	Low	103 Å²	103	83.2 Å²	83.2	55%	0.551	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-14.6	-177.1	-60.5	-15.2	0	0	0	113.1	H77	H77-D79 VanDerWaalsContact C-N 3.25Å; H77-D79 PolarHBondContact O-N 3Å
80	T	77.3	Confident	59.7	Low	26 Å²	26	86.4 Å²	86.4	16%	0.16	51%	0.511	C	S	.	.			trans	-100.3	108.9	-179.6	-60.4	0	0	0	0	109	Y82 S421 K423	T80-Y82 HydrophobicContact CG2-CE2 4.1Å; T80-S421 VanDerWaalsContact CG2-OG 3.24Å; T80-S421 WeakPolarHBondContact CG2-OG 3.4Å; T80-K423 WeakPolarHBondContact OG1-CD 3.41Å; T80-K423 WeakPolarHBondContact OG1-CE 2.95Å; T80-K423 PolarHBondContact OG1-NZ 3.18Å
81	F	81.2	Confident	62.2	Low	41 Å²	41	81.9 Å²	81.9	18%	0.18	48%	0.478	C	S	.	.			trans	-112.4	151.7	167.9	62.9	-90.8	0	0	0	110.8	D43 L46 L47 F83 N422	D43-F81 HydrophobicContact CB-CE1 3.81Å; D43-F81 HydrophobicContact CB-CZ 4.27Å; D43-F81 WeakPolarHBondContact O-CZ 3.42Å; L46-F81 HydrophobicContact CB-CE2 4.07Å; L46-F81 HydrophobicContact CB-CZ 3.91Å; L47-F81 HydrophobicContact CD1-CE1 4.31Å; L47-F81 HydrophobicContact CD1-CZ 4.34Å; L47-F81 HydrophobicContact CD2-CD1 4.46Å; L47-F81 HydrophobicContact CD2-CD2 3.7Å; L47-F81 HydrophobicContact CD2-CE1 4.39Å; L47-F81 HydrophobicContact CD2-CE2 3.64Å; L47-F81 HydrophobicContact CD2-CG 4.12Å; L47-F81 HydrophobicContact CD2-CZ 4.01Å; L47-F81 HydrophobicContact CG-CD2 4.31Å; L47-F81 HydrophobicContact CG-CE1 4.11Å; L47-F81 HydrophobicContact CG-CE2 3.78Å; L47-F81 HydrophobicContact CG-CZ 3.67Å; F81-F83 HydrophobicContact CD2-CD1 4.02Å; F81-F83 AromaticContact CE2-CD1 3.77Å; F81-F83 HydrophobicContact CE2-CD1 3.77Å; F81-F83 HydrophobicContact CE2-CE1 4.23Å; F81-N422 HydrophobicContact CD1-CB 4.28Å; F81-N422 HydrophobicContact CD2-CB 4.4Å; F81-N422 HydrophobicContact CE1-CB 3.92Å; F81-N422 WeakPolarHBondContact CE1-ND2 3.3Å; F81-N422 HydrophobicContact CE2-CB 4.03Å; F81-N422 HydrophobicContact CZ-CB 3.77Å; F81-N422 WeakPolarHBondContact CZ-ND2 3.39Å; F81-N422 PolarHBondContact O-N 2.82Å; F81-N422 VanDerWaalsContact O-N 3.11Å
82	Y	82.9	Confident	64.6	Low	139 Å²	139	83.8 Å²	83.8	55%	0.545	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	140.2	179	-65.7	-91.9	0	0	0	109.8	T80 T420	T80-Y82 HydrophobicContact CG2-CE2 4.1Å; Y82-T420 WeakPolarHBondContact CA-O 3.36Å
83	F	81.7	Confident	67.3	Low	4 Å²	4	81.1 Å²	81.1	2%	0.018	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	158.2	175.4	59.4	-89.9	0	0	0	109.7	L46 F81 R85 I89 T420 N422 V425	L46-F83 HydrophobicContact CB-CE1 4.34Å; L46-F83 HydrophobicContact CD1-CE1 4.27Å; L46-F83 HydrophobicContact CD1-CZ 4.5Å; L46-F83 HydrophobicContact CD2-CE1 4.43Å; L46-F83 HydrophobicContact CD2-CZ 3.99Å; F81-F83 HydrophobicContact CD2-CD1 4.02Å; F81-F83 AromaticContact CE2-CD1 3.77Å; F81-F83 HydrophobicContact CE2-CD1 3.77Å; F81-F83 HydrophobicContact CE2-CE1 4.23Å; F83-R85 PolarHBondContact O-N 3.31Å; F83-I89 HydrophobicContact CE2-CD1 3.87Å; F83-I89 HydrophobicContact CZ-CD1 4.15Å; F83-T420 PolarHBondContact N-O 3.07Å; F83-T420 VanDerWaalsContact N-O 3.14Å; F83-T420 PolarHBondContact O-N 3.39Å; F83-N422 HydrophobicContact CE1-CB 4.21Å; F83-V425 HydrophobicContact CZ-CB 4.46Å; F83-V425 HydrophobicContact CZ-CG2 3.9Å
84	P	80.7	Confident	69.8	Low	58 Å²	58	80.3 Å²	80.3	38%	0.377	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	131.4	177.7	23.8	-33.6	0	0	0	110.8	S86 T87	P84-S86 PolarHBondContact O-N 3.48Å; P84-T87 WeakPolarHBondContact O-CB 3.39Å; P84-T87 PolarHBondContact O-N 2.8Å; P84-T87 PolarHBondContact O-OG1 3.28Å
85	R	78.6	Confident	72.2	Confident	31 Å²	31	80.7 Å²	80.7	12%	0.117	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-28.1	-176.6	-167.8	159.9	-161.7	-155.6	-25.4	112.9	F83 T87 F413 T414 E416 G418 T420	F83-R85 PolarHBondContact O-N 3.31Å; R85-T87 PolarHBondContact O-N 3.11Å; R85-F413 WeakPolarHBondContact CD-O 3.3Å; R85-F413 VanDerWaalsContact CG-O 3.23Å; R85-F413 WeakPolarHBondContact CG-O 3.47Å; R85-F413 PolarHBondContact NE-O 2.85Å; R85-F413 PolarHBondContact NH2-O 3.4Å; R85-T414 CarbonylContact C-O 3.48Å; R85-T414 CarbonylContact O-C 3.59Å; R85-T414 WeakPolarHBondContact O-CA 3.39Å; R85-T414 WeakPolarHBondContact O-CB 3.26Å; R85-T414 VanDerWaalsContact O-CG2 3.3Å; R85-T414 WeakPolarHBondContact O-CG2 3.24Å; R85-T414 VanDerWaalsContact O-O 3.13Å; R85-E416 WeakPolarHBondContact CD-O 3.21Å; R85-E416 VanDerWaalsContact CG-O 3.24Å; R85-E416 WeakPolarHBondContact CG-O 3.36Å; R85-E416 IonicContact CZ-OE2 3.12Å; R85-E416 IonicContact NH1-OE2 2.79Å; R85-E416 PolarHBondContact NH1-OE2 3.35Å; R85-E416 VanDerWaalsContact NH2-CD 3.28Å; R85-E416 IonicContact NH2-OE1 2.69Å; R85-E416 IonicContact NH2-OE2 3.69Å; R85-E416 PolarHBondContact NH2-OE2 2.99Å; R85-G418 WeakPolarHBondContact CB-O 3.43Å; R85-G418 PolarHBondContact N-O 2.93Å; R85-T420 HydrophobicContact CB-CG2 3.82Å; R85-T420 HydrophobicContact CG-CG2 3.47Å; R85-T420 VanDerWaalsContact CG-CG2 3.47Å
86	S	76.4	Confident	74.3	Confident	93 Å²	93	74.6 Å²	74.6	65%	0.65	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	5	178	63	0	0	0	0	115.4	P84 T88	P84-S86 PolarHBondContact O-N 3.48Å; S86-T88 PolarHBondContact O-N 3.36Å
87	T	77.2	Confident	76.4	Confident	12 Å²	12	71 Å²	71	7%	0.074	37%	0.372	C	S	.	.			trans	-72	120.4	-179.7	-56.1	0	0	0	0	110.1	A49 P84 R85 I89 T414	A49-T87 HydrophobicContact CB-CG2 3.65Å; A49-T87 VanDerWaalsContact O-CG2 3.26Å; A49-T87 WeakPolarHBondContact O-CG2 3.48Å; P84-T87 WeakPolarHBondContact O-CB 3.39Å; P84-T87 PolarHBondContact O-N 2.8Å; P84-T87 PolarHBondContact O-OG1 3.28Å; R85-T87 PolarHBondContact O-N 3.11Å; T87-I89 HydrophobicContact CG2-CG1 4.02Å; T87-I89 PolarHBondContact O-N 3.13Å; T87-T414 WeakPolarHBondContact O-CG2 3.46Å
88	T	75.8	Confident	78	Confident	110 Å²	110	67.5 Å²	67.5	68%	0.675	36%	0.361	S	S	*	.			trans	-75.7	104.5	176.3	48.5	0	0	0	0	110.6	S86	S86-T88 PolarHBondContact O-N 3.36Å
89	I	78.9	Confident	79.1	Confident	3 Å²	3	66.5 Å²	66.5	2%	0.015	35%	0.354	C	S	.	.			trans	-105.8	107.6	-177.4	-61.2	153.9	0	0	0	108.9	L46 A49 F83 T87 L91 Q407 L410	L46-I89 HydrophobicContact CD2-CD1 3.38Å; L46-I89 HydrophobicContact CD2-CG1 4Å; L46-I89 HydrophobicContact CD2-CG2 4.15Å; A49-I89 HydrophobicContact CB-CG1 4.15Å; F83-I89 HydrophobicContact CE2-CD1 3.87Å; F83-I89 HydrophobicContact CZ-CD1 4.15Å; T87-I89 HydrophobicContact CG2-CG1 4.02Å; T87-I89 PolarHBondContact O-N 3.13Å; I89-L91 HydrophobicContact CG2-CD2 4.27Å; I89-Q407 PolarHBondContact O-NE2 2.97Å; I89-L410 HydrophobicContact CB-CD2 4.08Å; I89-L410 HydrophobicContact CG2-CD2 4.11Å
90	H	80.5	Confident	79.6	Confident	148 Å²	148	64 Å²	64	69%	0.685	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-82.4	116.5	169.9	-69.5	-66.8	0	0	0	110	Q45	Q45-H90 PolarHBondContact NE2-O 3.11Å; Q45-H90 VanDerWaalsContact NE2-O 3.15Å
91	L	80.5	Confident	79.7	Confident	13 Å²	13	62.9 Å²	62.9	7%	0.068	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-76.8	137.2	179.7	-63.3	171.3	0	0	0	110.8	Y38 P41 I89 Q407 L410 V429	Y38-L91 HydrophobicContact CD1-CB 3.36Å; Y38-L91 HydrophobicContact CD1-CD1 4.35Å; Y38-L91 HydrophobicContact CD1-CG 4.49Å; Y38-L91 WeakPolarHBondContact CD1-O 3.3Å; Y38-L91 HydrophobicContact CE1-CB 4.12Å; Y38-L91 HydrophobicContact CG-CB 3.84Å; Y38-L91 HydrophobicContact CG-CD1 4.03Å; P41-L91 HydrophobicContact CB-CD2 4.06Å; P41-L91 HydrophobicContact CG-CD2 3.93Å; I89-L91 HydrophobicContact CG2-CD2 4.27Å; L91-Q407 VanDerWaalsContact N-OE1 3.12Å; L91-L410 HydrophobicContact CD1-CD2 3.75Å; L91-L410 HydrophobicContact CD2-CD2 3.79Å; L91-L410 HydrophobicContact CG-CD2 3.67Å; L91-V429 HydrophobicContact CD1-CG1 4.16Å; L91-V429 HydrophobicContact CD1-CG2 3.84Å; L91-V429 HydrophobicContact CD2-CG2 4.22Å
92	K	81.2	Confident	79.8	Confident	154 Å²	154	63.3 Å²	63.3	67%	0.67	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-75.1	132	174.3	-173.5	176.7	179.2	178.6	0	109.6	A39	A39-K92 PolarHBondContact N-O 2.86Å
93	Q	84	Confident	79.9	Confident	109 Å²	109	63.6 Å²	63.6	51%	0.509	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	135.3	171.3	-66.4	-178.2	8.5	0	0	110.4	R37 Y38	R37-Q93 CarbonylContact O-C 3.46Å; R37-Q93 WeakPolarHBondContact O-CA 3.25Å; Y38-Q93 HydrophobicContact CD1-CG 3.87Å; Y38-Q93 HydrophobicContact CE1-CG 3.55Å
94	S	82.2	Confident	80.2	Confident	47 Å²	47	64.3 Å²	64.3	33%	0.329	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	144	173.1	178	0	0	0	0	108.4	R37	R37-S94 WeakPolarHBondContact CG-O 3.48Å; R37-S94 PolarHBondContact N-O 3.39Å; R37-S94 PolarHBondContact O-N 3.02Å
95	H	81.8	Confident	80.4	Confident	108 Å²	108	63.3 Å²	63.3	50%	0.5	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	144.4	168.6	-165.3	-89.8	0	0	0	109.6	G34 S97	G34-H95 VanDerWaalsContact CA-NE2 3.32Å; G34-H95 WeakPolarHBondContact CA-NE2 3.41Å; H95-S97 PolarHBondContact O-N 3.37Å
96	V	79.1	Confident	80.7	Confident	4 Å²	4	64 Å²	64	2%	0.024	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-75.6	118.4	171.7	-176	0	0	0	0	108.1	I32 L35 R37 I101 L403 F433	I32-V96 HydrophobicContact CG2-CG1 4.43Å; L35-V96 HydrophobicContact CB-CG2 4.17Å; L35-V96 WeakPolarHBondContact O-CG2 3.36Å; L35-V96 PolarHBondContact O-N 3.05Å; R37-V96 HydrophobicContact CB-CG2 3.74Å; R37-V96 HydrophobicContact CG-CG2 3.78Å; V96-I101 HydrophobicContact CG1-CD1 3.44Å; V96-I101 VanDerWaalsContact CG1-CD1 3.44Å; V96-I101 HydrophobicContact CG1-CG1 3.54Å; V96-L403 HydrophobicContact CG2-CD1 4.17Å; V96-F433 HydrophobicContact CG1-CE2 3.81Å; V96-F433 HydrophobicContact CG1-CZ 4.18Å; V96-F433 HydrophobicContact CG2-CE2 4.34Å
97	S	75.9	Confident	81.3	Confident	38 Å²	38	60.5 Å²	60.5	27%	0.266	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-79.4	144.9	174.5	64.6	0	0	0	0	109.6	H95 S99 D100 I101	H95-S97 PolarHBondContact O-N 3.37Å; S97-S99 VanDerWaalsContact C-N 3.27Å; S97-S99 PolarHBondContact O-N 3.46Å; S97-D100 PolarHBondContact O-N 3.48Å; S97-D100 VanDerWaalsContact OG-CB 3.24Å; S97-D100 WeakPolarHBondContact OG-CB 3.47Å; S97-D100 PolarHBondContact OG-N 3.24Å; S97-D100 PolarHBondContact OG-OD1 2.86Å; S97-D100 PolarHBondContact OG-OD2 3.37Å; S97-D100 VanDerWaalsContact OG-OD2 3.13Å; S97-I101 WeakPolarHBondContact O-CD1 3.44Å
98	T	74.3	Confident	82	Confident	80 Å²	80	63.2 Å²	63.2	49%	0.491	35%	0.35	S	S	.	.	H	α-helix	trans	-65.5	-32	179.8	47.5	0	0	0	0	112.3
99	S	78.5	Confident	82.7	Confident	76 Å²	76	60.4 Å²	60.4	53%	0.531	33%	0.334	S	S	.	.	H	α-helix	trans	-67.1	-38.9	177.2	53.7	0	0	0	0	113.3	S97 I101 A102	S97-S99 VanDerWaalsContact C-N 3.27Å; S97-S99 PolarHBondContact O-N 3.46Å; S99-I101 PolarHBondContact O-N 3.32Å; S99-A102 PolarHBondContact O-N 3.16Å
100	D	82.2	Confident	83.3	Confident	49 Å²	49	60.3 Å²	60.3	26%	0.262	33%	0.334	S	S	.	.	H	α-helix	trans	-70.8	-21.2	-176.7	-68.9	13	0	0	0	112.2	R37 S97 I103 F433	R37-D100 IonicContact CZ-OD2 3.08Å; R37-D100 IonicContact NH1-OD2 3.87Å; R37-D100 IonicContact NH2-OD2 3.93Å; R37-D100 PolarHBondContact NH2-OD2 3.17Å; S97-D100 PolarHBondContact O-N 3.48Å; S97-D100 VanDerWaalsContact OG-CB 3.24Å; S97-D100 WeakPolarHBondContact OG-CB 3.47Å; S97-D100 PolarHBondContact OG-N 3.24Å; S97-D100 PolarHBondContact OG-OD1 2.86Å; S97-D100 PolarHBondContact OG-OD2 3.37Å; S97-D100 VanDerWaalsContact OG-OD2 3.13Å; D100-I103 WeakPolarHBondContact O-CG1 3.39Å; D100-F433 HydrophobicContact CB-CE1 4.33Å; D100-F433 HydrophobicContact CB-CZ 4.16Å
101	I	80.9	Confident	83.8	Confident	3 Å²	3	55 Å²	55	2%	0.015	31%	0.31	C	S	.	.	H	α-helix	trans	-82.5	-34.2	179.5	-59	154.5	0	0	0	111.1	I32 V96 S97 S99 I103 L104 Y107 F433	I32-I101 HydrophobicContact CB-CD1 4.07Å; I32-I101 HydrophobicContact CD1-CD1 4.39Å; I32-I101 HydrophobicContact CD1-CG2 3.99Å; I32-I101 HydrophobicContact CG2-CD1 3.29Å; I32-I101 HydrophobicContact CG2-CG1 4.3Å; V96-I101 HydrophobicContact CG1-CD1 3.44Å; V96-I101 VanDerWaalsContact CG1-CD1 3.44Å; V96-I101 HydrophobicContact CG1-CG1 3.54Å; S97-I101 WeakPolarHBondContact O-CD1 3.44Å; S99-I101 PolarHBondContact O-N 3.32Å; I101-I103 PolarHBondContact O-N 3.31Å; I101-L104 HydrophobicContact CG2-CD1 4.33Å; I101-L104 VanDerWaalsContact O-CB 3.24Å; I101-L104 WeakPolarHBondContact O-CB 3.25Å; I101-L104 PolarHBondContact O-N 2.89Å; I101-Y107 HydrophobicContact CG2-CD2 3.62Å; I101-Y107 HydrophobicContact CG2-CE2 3.84Å; I101-F433 HydrophobicContact CG1-CZ 4.38Å
102	A	82.4	Confident	84.3	Confident	51 Å²	51	60.7 Å²	60.7	42%	0.421	33%	0.33	S	S	.	.	H	α-helix	trans	-62.7	-26.4	-175.9	0	0	0	0	0	112.7	S99 Y107	S99-A102 PolarHBondContact O-N 3.16Å; A102-Y107 HydrophobicContact CB-CD1 4.19Å; A102-Y107 HydrophobicContact CB-CE1 3.99Å
103	I	86.1	Confident	85	Confident	145 Å²	145	53.5 Å²	53.5	74%	0.744	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-10.2	176.1	60.5	167	0	0	0	113.6	D100 I101	D100-I103 WeakPolarHBondContact O-CG1 3.39Å; I101-I103 PolarHBondContact O-N 3.31Å
104	L	86.7	Confident	85.5	Confident	19 Å²	19	48.3 Å²	48.3	10%	0.099	28%	0.275	C	S	.	.	S	Bend	trans	-73.7	151.8	-177.7	-68.4	-178.7	0	0	0	111.6	I101 Y107 F433 Y434 L436 N437	I101-L104 HydrophobicContact CG2-CD1 4.33Å; I101-L104 VanDerWaalsContact O-CB 3.24Å; I101-L104 WeakPolarHBondContact O-CB 3.25Å; I101-L104 PolarHBondContact O-N 2.89Å; L104-Y107 WeakPolarHBondContact O-CB 3.07Å; L104-Y107 PolarHBondContact O-N 3.44Å; L104-F433 HydrophobicContact CD1-CD1 4.36Å; L104-F433 HydrophobicContact CD1-CE1 3.92Å; L104-F433 HydrophobicContact CD1-CE2 4.25Å; L104-F433 HydrophobicContact CD1-CZ 3.86Å; L104-F433 HydrophobicContact CD2-CD1 4.21Å; L104-F433 HydrophobicContact CD2-CE1 4.02Å; L104-F433 HydrophobicContact CG-CE1 4.3Å; L104-Y434 HydrophobicContact CD2-CD2 4.42Å; L104-L436 HydrophobicContact CD1-CB 4.41Å; L104-N437 VanDerWaalsContact CB-ND2 3.34Å; L104-N437 WeakPolarHBondContact CB-ND2 3.49Å
105	P	84.6	Confident	85.9	Confident	36 Å²	36	46.6 Å²	46.6	23%	0.234	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	149.2	175.9	30.7	-41.5	0	0	0	111	Y107 Y434 N437	P105-Y107 PolarHBondContact O-N 3.4Å; P105-Y434 HydrophobicContact CB-CE2 4.48Å; P105-Y434 VanDerWaalsContact CD-CE2 3.41Å; P105-Y434 HydrophobicContact CG-CD1 4.07Å; P105-Y434 HydrophobicContact CG-CD2 4.08Å; P105-Y434 HydrophobicContact CG-CE1 3.67Å; P105-Y434 HydrophobicContact CG-CE2 3.68Å; P105-Y434 HydrophobicContact CG-CG 4.26Å; P105-Y434 VanDerWaalsContact CG-CZ 3.45Å; P105-Y434 WeakPolarHBondContact CG-O 3.34Å; P105-N437 WeakPolarHBondContact O-CB 3.24Å; P105-N437 PolarHBondContact O-ND2 2.85Å
106	L	86.7	Confident	86.5	Confident	47 Å²	47	42.1 Å²	42.1	25%	0.246	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	8.3	178.8	-75.5	72.6	0	0	0	115.1	S108 S109 H110 L188 I191 L438 L441	L106-S108 VanDerWaalsContact C-N 3.31Å; L106-S108 PolarHBondContact O-N 3.19Å; L106-S109 PolarHBondContact O-N 3.33Å; L106-H110 WeakPolarHBondContact O-CB 3.24Å; L106-H110 PolarHBondContact O-N 3.48Å; L106-L188 HydrophobicContact CD2-CD2 4.02Å; L106-I191 HydrophobicContact CD1-CD1 4.22Å; L106-I191 HydrophobicContact CD2-CD1 3.9Å; L106-L438 HydrophobicContact CD2-CD1 4.05Å; L106-L441 HydrophobicContact CD2-CD2 4.09Å
107	Y	89.1	Confident	87.2	Confident	19 Å²	19	42 Å²	42	8%	0.075	24%	0.24	C	C	.	.	H	α-helix	trans	-56.3	-47.5	176.7	177	-107.5	0	0	0	111.5	T28 H29 I101 A102 L104 P105 S109 H110 Q111 N437	T28-Y107 HydrophobicContact CG2-CE2 3.85Å; H29-Y107 PolarHBondContact CE1-OH 3.49Å; H29-Y107 PolarHBondContact NE2-OH 3.35Å; H29-Y107 VanDerWaalsContact NE2-OH 3.16Å; I101-Y107 HydrophobicContact CG2-CD2 3.62Å; I101-Y107 HydrophobicContact CG2-CE2 3.84Å; A102-Y107 HydrophobicContact CB-CD1 4.19Å; A102-Y107 HydrophobicContact CB-CE1 3.99Å; L104-Y107 WeakPolarHBondContact O-CB 3.07Å; L104-Y107 PolarHBondContact O-N 3.44Å; P105-Y107 PolarHBondContact O-N 3.4Å; Y107-S109 PolarHBondContact O-N 3.44Å; Y107-H110 PolarHBondContact O-N 3.13Å; Y107-H110 VanDerWaalsContact O-N 3.16Å; Y107-Q111 WeakPolarHBondContact O-CB 3.41Å; Y107-Q111 PolarHBondContact O-N 2.99Å; Y107-N437 WeakPolarHBondContact CA-ND2 3.37Å; Y107-N437 WeakPolarHBondContact CB-ND2 3.45Å; Y107-N437 PolarHBondContact N-ND2 2.73Å
108	S	90.7	Very high	88	Confident	69 Å²	69	42 Å²	42	48%	0.483	24%	0.238	S	C	.	.	H	α-helix	trans	-55.3	-49.4	176.3	178.2	0	0	0	0	111.8	L106 H110 Q111 W112	L106-S108 VanDerWaalsContact C-N 3.31Å; L106-S108 PolarHBondContact O-N 3.19Å; S108-H110 VanDerWaalsContact C-N 3.31Å; S108-H110 PolarHBondContact O-N 2.94Å; S108-Q111 PolarHBondContact O-N 2.84Å; S108-W112 WeakPolarHBondContact O-CB 3.39Å; S108-W112 PolarHBondContact O-N 3.36Å
109	S	90.5	Very high	88.9	Confident	51 Å²	51	39 Å²	39	36%	0.357	22%	0.221	S	C	.	.	H	α-helix	trans	-61.7	-39.6	178.8	-57	0	0	0	0	112.4	L106 Y107 L113	L106-S109 PolarHBondContact O-N 3.33Å; Y107-S109 PolarHBondContact O-N 3.44Å; S109-L113 VanDerWaalsContact O-CB 3.25Å; S109-L113 WeakPolarHBondContact O-CB 3.36Å; S109-L113 PolarHBondContact O-N 3.02Å
110	H	91	Very high	89.6	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-66.5	-46.8	177	177.6	41.8	0	0	0	112.1	T28 L106 Y107 S108 V114 L441	T28-H110 WeakPolarHBondContact CG2-CD2 3.26Å; T28-H110 WeakPolarHBondContact CG2-NE2 3.49Å; T28-H110 PolarHBondContact OG1-O 2.89Å; L106-H110 WeakPolarHBondContact O-CB 3.24Å; L106-H110 PolarHBondContact O-N 3.48Å; Y107-H110 PolarHBondContact O-N 3.13Å; Y107-H110 VanDerWaalsContact O-N 3.16Å; S108-H110 VanDerWaalsContact C-N 3.31Å; S108-H110 PolarHBondContact O-N 2.94Å; H110-V114 WeakPolarHBondContact O-CB 3.46Å; H110-V114 VanDerWaalsContact O-CG2 3.32Å; H110-V114 WeakPolarHBondContact O-CG2 3.46Å; H110-V114 PolarHBondContact O-N 3.29Å; H110-V114 VanDerWaalsContact O-N 3.1Å; H110-L441 HydrophobicContact CB-CD1 4.27Å
111	Q	91.7	Very high	90.1	Very high	37 Å²	37	34.2 Å²	34.2	17%	0.173	19%	0.191	C	C	.	.	H	α-helix	trans	-56.5	-55.8	175.5	-176.8	178.6	-10.3	0	0	111.6	T28 Y107 S108 L113 V114 D115	T28-Q111 WeakPolarHBondContact OG1-CA 3.48Å; Y107-Q111 WeakPolarHBondContact O-CB 3.41Å; Y107-Q111 PolarHBondContact O-N 2.99Å; S108-Q111 PolarHBondContact O-N 2.84Å; Q111-L113 PolarHBondContact O-N 3.24Å; Q111-V114 PolarHBondContact O-N 3.4Å; Q111-D115 VanDerWaalsContact CG-OD2 3.23Å; Q111-D115 WeakPolarHBondContact CG-OD2 3.14Å; Q111-D115 WeakPolarHBondContact O-CB 3.42Å; Q111-D115 VanDerWaalsContact O-CG 3.3Å; Q111-D115 PolarHBondContact O-N 3.48Å
112	W	91.5	Very high	90.6	Very high	132 Å²	132	37 Å²	37	50%	0.5	21%	0.21	S	C	.	.	H	α-helix	trans	-61	-43	-178.6	-80	107.2	0	0	0	112.5	I22 S108 F116	I22-W112 HydrophobicContact CD1-CE3 4.27Å; I22-W112 HydrophobicContact CD1-CZ3 4.26Å; S108-W112 WeakPolarHBondContact O-CB 3.39Å; S108-W112 PolarHBondContact O-N 3.36Å; W112-F116 WeakPolarHBondContact O-CB 3.14Å; W112-F116 PolarHBondContact O-N 3.02Å
113	L	94.6	Very high	91	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-60.9	-50	179.5	-175.9	69.9	0	0	0	111.3	S109 Q111 T117 F180 T181 T184 L441 S445 F448	S109-L113 VanDerWaalsContact O-CB 3.25Å; S109-L113 WeakPolarHBondContact O-CB 3.36Å; S109-L113 PolarHBondContact O-N 3.02Å; Q111-L113 PolarHBondContact O-N 3.24Å; L113-T117 VanDerWaalsContact O-CB 3.27Å; L113-T117 WeakPolarHBondContact O-CB 3.39Å; L113-T117 PolarHBondContact O-N 3.24Å; L113-T117 PolarHBondContact O-OG1 3.5Å; L113-F180 HydrophobicContact CD1-CB 4.02Å; L113-T181 HydrophobicContact CD1-CG2 3.67Å; L113-T184 HydrophobicContact CD2-CG2 4.18Å; L113-L441 HydrophobicContact CB-CD1 4.43Å; L113-L441 HydrophobicContact CD2-CD1 3.51Å; L113-S445 WeakPolarHBondContact CD2-OG 3.26Å; L113-F448 HydrophobicContact CD2-CD2 4.22Å; L113-F448 HydrophobicContact CG-CD2 4.03Å; L113-F448 HydrophobicContact CG-CE2 4.38Å
114	V	94.2	Very high	91.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-67.6	-51.4	-176.5	171.2	0	0	0	0	111.7	F27 T28 L31 H110 Q111 F116 T117 V118 I444 F448	F27-V114 HydrophobicContact CB-CG1 4.01Å; F27-V114 HydrophobicContact CD1-CG1 3.4Å; F27-V114 VanDerWaalsContact CD1-CG1 3.4Å; F27-V114 HydrophobicContact CE1-CG1 4.31Å; F27-V114 HydrophobicContact CG-CG1 4.14Å; T28-V114 VanDerWaalsContact OG1-CB 3.32Å; T28-V114 WeakPolarHBondContact OG1-CB 3.37Å; L31-V114 HydrophobicContact CD1-CG1 3.98Å; L31-V114 HydrophobicContact CD1-CG2 4.17Å; H110-V114 WeakPolarHBondContact O-CB 3.46Å; H110-V114 VanDerWaalsContact O-CG2 3.32Å; H110-V114 WeakPolarHBondContact O-CG2 3.46Å; H110-V114 PolarHBondContact O-N 3.29Å; H110-V114 VanDerWaalsContact O-N 3.1Å; Q111-V114 PolarHBondContact O-N 3.4Å; V114-F116 VanDerWaalsContact C-N 3.35Å; V114-F116 PolarHBondContact O-N 2.92Å; V114-T117 PolarHBondContact O-N 2.84Å; V114-V118 HydrophobicContact CG1-CG2 4.4Å; V114-V118 WeakPolarHBondContact O-CB 3.22Å; V114-V118 VanDerWaalsContact O-CG2 3.23Å; V114-V118 WeakPolarHBondContact O-CG2 3.44Å; V114-V118 PolarHBondContact O-N 2.91Å; V114-I444 HydrophobicContact CG2-CD1 4.19Å; V114-I444 HydrophobicContact CG2-CG2 4.19Å; V114-F448 HydrophobicContact CB-CE2 4.41Å; V114-F448 HydrophobicContact CG2-CE2 4.01Å; V114-F448 HydrophobicContact CG2-CZ 4.41Å
115	D	92.3	Very high	91.4	Very high	11 Å²	11	32 Å²	32	6%	0.059	18%	0.177	C	C	.	.	H	α-helix	trans	-67.3	-38.9	-175	-65.4	-23.3	0	0	0	111.3	I22 S26 F27 T28 Q111 C119	I22-D115 HydrophobicContact CD1-CB 3.36Å; I22-D115 WeakPolarHBondContact CD1-OD2 3.3Å; I22-D115 HydrophobicContact CG1-CB 3.88Å; I22-D115 WeakPolarHBondContact CG1-OD2 3.49Å; S26-D115 VanDerWaalsContact CB-OD2 3.25Å; S26-D115 WeakPolarHBondContact CB-OD2 3.14Å; S26-D115 VanDerWaalsContact OG-CG 3.26Å; S26-D115 PolarHBondContact OG-OD1 3.4Å; S26-D115 PolarHBondContact OG-OD2 3.02Å; F27-D115 WeakPolarHBondContact CA-OD1 3.44Å; F27-D115 WeakPolarHBondContact CB-OD1 3.43Å; F27-D115 PolarHBondContact N-OD1 3.45Å; T28-D115 PolarHBondContact N-OD1 3.26Å; Q111-D115 VanDerWaalsContact CG-OD2 3.23Å; Q111-D115 WeakPolarHBondContact CG-OD2 3.14Å; Q111-D115 WeakPolarHBondContact O-CB 3.42Å; Q111-D115 VanDerWaalsContact O-CG 3.3Å; Q111-D115 PolarHBondContact O-N 3.48Å; D115-C119 WeakPolarHBondContact O-CB 3.41Å; D115-C119 PolarHBondContact O-N 3.12Å
116	F	93.6	Very high	91.6	Very high	14 Å²	14	34.8 Å²	34.8	6%	0.061	19%	0.189	C	C	.	.	H	α-helix	trans	-65.9	-48.4	175.4	-173.3	-87.2	0	0	0	111.7	L18 W112 V114 V118 C119 A120 W173 L176 F180	L18-F116 HydrophobicContact CD2-CD2 3.74Å; L18-F116 HydrophobicContact CD2-CE2 4.14Å; W112-F116 WeakPolarHBondContact O-CB 3.14Å; W112-F116 PolarHBondContact O-N 3.02Å; V114-F116 VanDerWaalsContact C-N 3.35Å; V114-F116 PolarHBondContact O-N 2.92Å; F116-V118 PolarHBondContact O-N 3.43Å; F116-C119 PolarHBondContact O-N 3.47Å; F116-A120 HydrophobicContact CE1-CB 4.37Å; F116-A120 VanDerWaalsContact O-CB 3.3Å; F116-A120 WeakPolarHBondContact O-CB 3.46Å; F116-A120 PolarHBondContact O-N 3.34Å; F116-W173 HydrophobicContact CD2-CZ3 4.27Å; F116-W173 HydrophobicContact CE1-CE3 4.33Å; F116-W173 AromaticContact CE2-CE3 3.75Å; F116-W173 HydrophobicContact CE2-CE3 3.75Å; F116-W173 AromaticContact CE2-CZ3 3.52Å; F116-W173 HydrophobicContact CE2-CZ3 3.52Å; F116-W173 AromaticContact CZ-CE3 3.57Å; F116-W173 HydrophobicContact CZ-CE3 3.57Å; F116-W173 AromaticContact CZ-CZ3 3.87Å; F116-W173 HydrophobicContact CZ-CZ3 3.87Å; F116-L176 HydrophobicContact CE1-CB 3.84Å; F116-L176 HydrophobicContact CZ-CB 3.64Å; F116-L176 HydrophobicContact CZ-CD1 4.22Å; F116-F180 AromaticContact CD1-CD2 3.6Å; F116-F180 HydrophobicContact CD1-CD2 3.6Å; F116-F180 AromaticContact CD1-CE2 3.92Å; F116-F180 HydrophobicContact CD1-CE2 3.92Å; F116-F180 HydrophobicContact CD2-CD2 4.37Å; F116-F180 AromaticContact CD2-CE2 3.89Å; F116-F180 HydrophobicContact CD2-CE2 3.89Å; F116-F180 AromaticContact CE1-CD2 3.77Å; F116-F180 HydrophobicContact CE1-CD2 3.77Å; F116-F180 AromaticContact CE1-CE2 3.9Å; F116-F180 HydrophobicContact CE1-CE2 3.9Å; F116-F180 AromaticContact CE2-CE2 3.86Å; F116-F180 HydrophobicContact CE2-CE2 3.86Å; F116-F180 AromaticContact CG-CD2 3.93Å; F116-F180 HydrophobicContact CG-CD2 3.93Å; F116-F180 AromaticContact CG-CE2 3.92Å; F116-F180 HydrophobicContact CG-CE2 3.92Å; F116-F180 HydrophobicContact CZ-CD2 4.23Å; F116-F180 AromaticContact CZ-CE2 3.87Å; F116-F180 HydrophobicContact CZ-CE2 3.87Å
117	T	94.3	Very high	91.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66.2	-38	-178.4	-62.3	0	0	0	0	111.9	L113 V114 S121 S177 F448	L113-T117 VanDerWaalsContact O-CB 3.27Å; L113-T117 WeakPolarHBondContact O-CB 3.39Å; L113-T117 PolarHBondContact O-N 3.24Å; L113-T117 PolarHBondContact O-OG1 3.5Å; V114-T117 PolarHBondContact O-N 2.84Å; T117-S121 VanDerWaalsContact O-CB 3.28Å; T117-S121 WeakPolarHBondContact O-CB 3.07Å; T117-S121 PolarHBondContact O-N 3.36Å; T117-S121 PolarHBondContact O-OG 3.49Å; T117-S177 WeakPolarHBondContact CB-OG 3.38Å; T117-S177 WeakPolarHBondContact CG2-OG 3.32Å; T117-S177 PolarHBondContact OG1-OG 3.31Å; T117-F448 HydrophobicContact CG2-CB 4.06Å; T117-F448 HydrophobicContact CG2-CD1 3.75Å; T117-F448 HydrophobicContact CG2-CD2 3.78Å; T117-F448 HydrophobicContact CG2-CE1 4.04Å; T117-F448 HydrophobicContact CG2-CE2 4.08Å; T117-F448 HydrophobicContact CG2-CG 3.62Å; T117-F448 HydrophobicContact CG2-CZ 4.19Å
118	V	93	Very high	91.5	Very high	39 Å²	39	33.1 Å²	33.1	24%	0.236	18%	0.181	C	C	.	.	H	α-helix	trans	-65	-46.2	174.7	171.3	0	0	0	0	110.3	F27 V114 F116 A120 S121 C122	F27-V118 HydrophobicContact CD1-CG2 3.9Å; F27-V118 HydrophobicContact CD2-CG1 4.25Å; F27-V118 HydrophobicContact CD2-CG2 4.38Å; F27-V118 HydrophobicContact CE1-CG2 4.11Å; F27-V118 HydrophobicContact CG-CG1 4.49Å; F27-V118 HydrophobicContact CG-CG2 4.02Å; F27-V118 HydrophobicContact CZ-CG2 4.45Å; V114-V118 HydrophobicContact CG1-CG2 4.4Å; V114-V118 WeakPolarHBondContact O-CB 3.22Å; V114-V118 VanDerWaalsContact O-CG2 3.23Å; V114-V118 WeakPolarHBondContact O-CG2 3.44Å; V114-V118 PolarHBondContact O-N 2.91Å; F116-V118 PolarHBondContact O-N 3.43Å; V118-A120 PolarHBondContact O-N 3.3Å; V118-S121 PolarHBondContact O-N 2.81Å; V118-C122 PolarHBondContact O-N 3.21Å; V118-C122 PolarHBondContact O-SG 3.31Å
119	C	92.1	Very high	91.2	Very high	18 Å²	18	33.2 Å²	33.2	12%	0.122	18%	0.178	C	C	.	.	H	α-helix	trans	-59.3	-48	176	-173.5	0	0	0	0	111.9	D115 F116 S121 C122 V123	D115-C119 WeakPolarHBondContact O-CB 3.41Å; D115-C119 PolarHBondContact O-N 3.12Å; F116-C119 PolarHBondContact O-N 3.47Å; C119-S121 VanDerWaalsContact C-N 3.31Å; C119-S121 PolarHBondContact O-N 2.83Å; C119-C122 WeakPolarHBondContact O-CB 3.3Å; C119-C122 PolarHBondContact O-N 3.42Å; C119-V123 WeakPolarHBondContact O-CG2 3.33Å; C119-V123 PolarHBondContact O-N 2.85Å
120	A	93.4	Very high	90.8	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.1	-42.2	176	0	0	0	0	0	111.9	F116 V118 V123 Y124 W173 M174	F116-A120 HydrophobicContact CE1-CB 4.37Å; F116-A120 VanDerWaalsContact O-CB 3.3Å; F116-A120 WeakPolarHBondContact O-CB 3.46Å; F116-A120 PolarHBondContact O-N 3.34Å; V118-A120 PolarHBondContact O-N 3.3Å; A120-V123 PolarHBondContact O-N 3.4Å; A120-Y124 VanDerWaalsContact O-CB 3.31Å; A120-Y124 WeakPolarHBondContact O-CB 3.4Å; A120-Y124 PolarHBondContact O-N 2.75Å; A120-W173 HydrophobicContact CB-CB 3.93Å; A120-W173 HydrophobicContact CB-CE3 4.42Å; A120-M174 HydrophobicContact CB-SD 4.24Å
121	S	93	Very high	90.2	Very high	24 Å²	24	32.4 Å²	32.4	17%	0.168	17%	0.168	C	C	.	.	H	α-helix	trans	-64.9	-40.3	176.5	-58.4	0	0	0	0	111.6	T117 V118 C119 Y124 L125	T117-S121 VanDerWaalsContact O-CB 3.28Å; T117-S121 WeakPolarHBondContact O-CB 3.07Å; T117-S121 PolarHBondContact O-N 3.36Å; T117-S121 PolarHBondContact O-OG 3.49Å; V118-S121 PolarHBondContact O-N 2.81Å; C119-S121 VanDerWaalsContact C-N 3.31Å; C119-S121 PolarHBondContact O-N 2.83Å; S121-Y124 WeakPolarHBondContact O-CB 3.36Å; S121-Y124 PolarHBondContact O-N 3.07Å; S121-L125 WeakPolarHBondContact O-CB 3.5Å; S121-L125 VanDerWaalsContact O-CG 3.28Å; S121-L125 WeakPolarHBondContact O-CG 3.48Å; S121-L125 PolarHBondContact O-N 3.09Å
122	C	91.3	Very high	89.5	Confident	62 Å²	62	34.5 Å²	34.5	42%	0.419	18%	0.181	S	C	.	.	H	α-helix	trans	-63.4	-45.6	174.7	-70.7	0	0	0	0	111.9	V118 C119 Y124 L125 I126	V118-C122 PolarHBondContact O-N 3.21Å; V118-C122 PolarHBondContact O-SG 3.31Å; C119-C122 WeakPolarHBondContact O-CB 3.3Å; C119-C122 PolarHBondContact O-N 3.42Å; C122-Y124 VanDerWaalsContact C-N 3.28Å; C122-Y124 PolarHBondContact O-N 3.49Å; C122-L125 PolarHBondContact O-N 2.93Å; C122-I126 VanDerWaalsContact O-CG1 3.27Å; C122-I126 WeakPolarHBondContact O-CG1 3.48Å; C122-I126 PolarHBondContact O-N 2.96Å
123	V	91.3	Very high	88.8	Confident	5 Å²	5	32 Å²	32	3%	0.03	18%	0.182	C	C	.	.	H	α-helix	trans	-59.1	-44.3	174.8	173.5	0	0	0	0	110.8	T11 A14 C119 A120 I126 N127	T11-V123 HydrophobicContact CG2-CG1 4.24Å; A14-V123 HydrophobicContact CB-CG2 3.19Å; C119-V123 WeakPolarHBondContact O-CG2 3.33Å; C119-V123 PolarHBondContact O-N 2.85Å; A120-V123 PolarHBondContact O-N 3.4Å; V123-I126 PolarHBondContact O-N 3.48Å; V123-N127 WeakPolarHBondContact O-CB 3.41Å; V123-N127 PolarHBondContact O-N 3.4Å
124	Y	91.2	Very high	88	Confident	6 Å²	6	36.1 Å²	36.1	2%	0.024	20%	0.204	C	C	.	.	H	α-helix	trans	-60.4	-46.7	177.1	176.3	-102	0	0	0	111.8	A120 S121 C122 N127 E128 M174 C455 K458 N459	A120-Y124 VanDerWaalsContact O-CB 3.31Å; A120-Y124 WeakPolarHBondContact O-CB 3.4Å; A120-Y124 PolarHBondContact O-N 2.75Å; S121-Y124 WeakPolarHBondContact O-CB 3.36Å; S121-Y124 PolarHBondContact O-N 3.07Å; C122-Y124 VanDerWaalsContact C-N 3.28Å; C122-Y124 PolarHBondContact O-N 3.49Å; Y124-N127 PolarHBondContact O-N 3.36Å; Y124-E128 VanDerWaalsContact O-CB 3.25Å; Y124-E128 WeakPolarHBondContact O-CB 3.38Å; Y124-E128 PolarHBondContact O-N 3.01Å; Y124-M174 HydrophobicContact CD2-CG 4.26Å; Y124-M174 HydrophobicContact CG-CG 4.36Å; Y124-M174 HydrophobicContact CG-SD 4.37Å; Y124-C455 HydrophobicContact CE1-CB 4.23Å; Y124-K458 PolarHBondContact OH-NZ 3.43Å; Y124-N459 WeakPolarHBondContact CE2-ND2 3.41Å; Y124-N459 VanDerWaalsContact CZ-ND2 3.32Å; Y124-N459 PolarHBondContact OH-ND2 3.45Å
125	L	90	Very high	87.1	Confident	97 Å²	97	38.4 Å²	38.4	51%	0.508	22%	0.215	S	C	.	.	H	α-helix	trans	-64.3	-43.5	177.4	-72.5	172.7	0	0	0	112.6	S121 C122 N127 E128 V129	S121-L125 WeakPolarHBondContact O-CB 3.5Å; S121-L125 VanDerWaalsContact O-CG 3.28Å; S121-L125 WeakPolarHBondContact O-CG 3.48Å; S121-L125 PolarHBondContact O-N 3.09Å; C122-L125 PolarHBondContact O-N 2.93Å; L125-N127 VanDerWaalsContact C-N 3.34Å; L125-N127 PolarHBondContact O-N 3Å; L125-E128 PolarHBondContact O-N 3.41Å; L125-V129 WeakPolarHBondContact O-CG2 3.25Å; L125-V129 PolarHBondContact O-N 3.08Å
126	I	88.8	Confident	86.2	Confident	96 Å²	96	41 Å²	41	49%	0.492	23%	0.233	S	C	.	.	H	α-helix	trans	-60.8	-46.2	177	-69.4	164.4	0	0	0	110.2	T10 C122 V123 E128 V129 A130	T10-I126 HydrophobicContact CG2-CG2 3.88Å; C122-I126 VanDerWaalsContact O-CG1 3.27Å; C122-I126 WeakPolarHBondContact O-CG1 3.48Å; C122-I126 PolarHBondContact O-N 2.96Å; V123-I126 PolarHBondContact O-N 3.48Å; I126-E128 VanDerWaalsContact C-N 3.33Å; I126-E128 PolarHBondContact O-N 3.43Å; I126-V129 PolarHBondContact O-N 2.93Å; I126-A130 VanDerWaalsContact O-CB 3.32Å; I126-A130 WeakPolarHBondContact O-CB 3.31Å; I126-A130 PolarHBondContact O-N 3.39Å
127	N	87.2	Confident	85.3	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-63.8	-41.7	177	-75.4	9.5	0	0	0	110.7	T10 V123 Y124 L125 A130 Y131 N168	T10-N127 PolarHBondContact OG1-OD1 2.85Å; V123-N127 WeakPolarHBondContact O-CB 3.41Å; V123-N127 PolarHBondContact O-N 3.4Å; Y124-N127 PolarHBondContact O-N 3.36Å; L125-N127 VanDerWaalsContact C-N 3.34Å; L125-N127 PolarHBondContact O-N 3Å; N127-A130 PolarHBondContact O-N 2.97Å; N127-Y131 HydrophobicContact CB-CD2 4.34Å; N127-Y131 HydrophobicContact CB-CE2 4.24Å; N127-Y131 WeakPolarHBondContact O-CD2 3.28Å; N127-Y131 PolarHBondContact O-N 3.16Å; N127-N168 PolarHBondContact ND2-OD1 3.24Å
128	E	85.2	Confident	84.4	Confident	30 Å²	30	55 Å²	55	14%	0.14	29%	0.286	C	S	.	.	H	α-helix	trans	-62.2	-45.1	179.1	-168.8	-79.5	154.1	0	0	112.2	Y124 L125 I126 Y131 N132 K458	Y124-E128 VanDerWaalsContact O-CB 3.25Å; Y124-E128 WeakPolarHBondContact O-CB 3.38Å; Y124-E128 PolarHBondContact O-N 3.01Å; L125-E128 PolarHBondContact O-N 3.41Å; I126-E128 VanDerWaalsContact C-N 3.33Å; I126-E128 PolarHBondContact O-N 3.43Å; E128-Y131 PolarHBondContact O-N 3.38Å; E128-N132 WeakPolarHBondContact O-CB 3.46Å; E128-N132 PolarHBondContact O-N 3.02Å; E128-N132 PolarHBondContact OE1-ND2 3.16Å; E128-K458 IonicContact OE1-NZ 3.92Å
129	V	85.1	Confident	83.4	Confident	70 Å²	70	58.7 Å²	58.7	42%	0.424	30%	0.301	S	S	.	.	H	α-helix	trans	-63.7	-41.5	173.6	171.9	0	0	0	0	111	L125 I126 Y131 C133 I134	L125-V129 WeakPolarHBondContact O-CG2 3.25Å; L125-V129 PolarHBondContact O-N 3.08Å; I126-V129 PolarHBondContact O-N 2.93Å; V129-Y131 VanDerWaalsContact C-N 3.35Å; V129-Y131 PolarHBondContact O-N 3.38Å; V129-C133 HydrophobicContact CG1-CB 4.25Å; V129-C133 WeakPolarHBondContact O-CA 3.48Å; V129-C133 WeakPolarHBondContact O-CB 3.33Å; V129-C133 PolarHBondContact O-N 3.2Å; V129-I134 PolarHBondContact O-N 3.4Å; V129-I134 VanDerWaalsContact O-N 3.13Å
130	A	82.9	Confident	82.3	Confident	4 Å²	4	59.2 Å²	59.2	3%	0.033	31%	0.309	C	S	.	.	I	π-helix	trans	-61.4	-43.7	177.2	0	0	0	0	0	112.2	L6 I126 N127 I134 I135	L6-A130 HydrophobicContact CD2-CB 3.69Å; I126-A130 VanDerWaalsContact O-CB 3.32Å; I126-A130 WeakPolarHBondContact O-CB 3.31Å; I126-A130 PolarHBondContact O-N 3.39Å; N127-A130 PolarHBondContact O-N 2.97Å; A130-I134 HydrophobicContact CB-CD1 4.35Å; A130-I134 PolarHBondContact O-N 2.94Å; A130-I135 WeakPolarHBondContact O-CG1 3.29Å; A130-I135 PolarHBondContact O-N 3.35Å
131	Y	77.3	Confident	81.1	Confident	31 Å²	31	64.2 Å²	64.2	12%	0.122	33%	0.331	C	S	.	.	I	π-helix	trans	-74.1	-42.5	-179.1	-77.7	-61.8	0	0	0	114.1	V3 Q7 N127 E128 V129 I135 P136 V165	V3-Y131 HydrophobicContact CG1-CE1 3.48Å; V3-Y131 VanDerWaalsContact CG1-CE1 3.48Å; V3-Y131 WeakPolarHBondContact CG1-OH 3.3Å; Q7-Y131 VanDerWaalsContact CD-OH 3.24Å; Q7-Y131 HydrophobicContact CG-CE2 4.41Å; Q7-Y131 WeakPolarHBondContact CG-OH 3.23Å; Q7-Y131 PolarHBondContact NE2-OH 2.83Å; N127-Y131 HydrophobicContact CB-CD2 4.34Å; N127-Y131 HydrophobicContact CB-CE2 4.24Å; N127-Y131 WeakPolarHBondContact O-CD2 3.28Å; N127-Y131 PolarHBondContact O-N 3.16Å; E128-Y131 PolarHBondContact O-N 3.38Å; V129-Y131 VanDerWaalsContact C-N 3.35Å; V129-Y131 PolarHBondContact O-N 3.38Å; Y131-I135 HydrophobicContact CD1-CD1 3.65Å; Y131-I135 HydrophobicContact CE1-CD1 3.83Å; Y131-P136 VanDerWaalsContact O-CD 3.25Å; Y131-P136 WeakPolarHBondContact O-CD 3.34Å; Y131-V165 HydrophobicContact CD1-CG1 4.23Å; Y131-V165 HydrophobicContact CE1-CG1 4.2Å
132	N	76.9	Confident	79.6	Confident	82 Å²	82	66.2 Å²	66.2	44%	0.439	34%	0.34	S	S	.	.	I	π-helix	trans	-93.5	-22.1	-172	-69.1	-22	0	0	0	113.3	E128	E128-N132 WeakPolarHBondContact O-CB 3.46Å; E128-N132 PolarHBondContact O-N 3.02Å; E128-N132 PolarHBondContact OE1-ND2 3.16Å
133	C	76.5	Confident	77.9	Confident	78 Å²	78	68.5 Å²	68.5	53%	0.527	35%	0.345	S	S	.	.	I	π-helix	trans	-113.3	-56.4	-178.1	-170.4	0	0	0	0	111.6	V129 W137	V129-C133 HydrophobicContact CG1-CB 4.25Å; V129-C133 WeakPolarHBondContact O-CA 3.48Å; V129-C133 WeakPolarHBondContact O-CB 3.33Å; V129-C133 PolarHBondContact O-N 3.2Å; C133-W137 WeakPolarHBondContact O-CB 3.49Å; C133-W137 PolarHBondContact O-N 2.82Å; C133-W137 VanDerWaalsContact O-N 3.12Å
134	I	77.9	Confident	76.1	Confident	91 Å²	91	74.4 Å²	74.4	47%	0.467	38%	0.376	S	S	.	.	I	π-helix	trans	-72.3	-48	-168.6	-56.1	178.4	0	0	0	112.4	V129 A130 W137 Y138	V129-I134 PolarHBondContact O-N 3.4Å; V129-I134 VanDerWaalsContact O-N 3.13Å; A130-I134 HydrophobicContact CB-CD1 4.35Å; A130-I134 PolarHBondContact O-N 2.94Å; I134-W137 PolarHBondContact O-N 2.76Å; I134-Y138 WeakPolarHBondContact O-CB 3.43Å; I134-Y138 PolarHBondContact O-N 3.05Å
135	I	76.3	Confident	74.3	Confident	48 Å²	48	79.8 Å²	79.8	25%	0.246	40%	0.401	C	S	.	.	H	α-helix	trans	-64.1	-51.1	-177.8	-66.1	170.2	0	0	0	111.5	V3 A130 Y131 W137 Y138 E139	V3-I135 HydrophobicContact CG2-CD1 4.47Å; A130-I135 WeakPolarHBondContact O-CG1 3.29Å; A130-I135 PolarHBondContact O-N 3.35Å; Y131-I135 HydrophobicContact CD1-CD1 3.65Å; Y131-I135 HydrophobicContact CE1-CD1 3.83Å; I135-W137 VanDerWaalsContact C-N 3.26Å; I135-W137 PolarHBondContact O-N 2.94Å; I135-Y138 PolarHBondContact O-N 2.92Å; I135-E139 HydrophobicContact CG2-CG 4.48Å; I135-E139 PolarHBondContact O-N 3.37Å
136	P	72.6	Confident	72.4	Confident	66 Å²	66	79.3 Å²	79.3	43%	0.429	40%	0.403	S	S	.	.	H	α-helix	trans	-62.3	-35.2	177.5	-23.4	35.1	0	0	0	112.5	Y131 G140	Y131-P136 VanDerWaalsContact O-CD 3.25Å; Y131-P136 WeakPolarHBondContact O-CD 3.34Å; P136-G140 PolarHBondContact O-N 3.37Å
137	W	75.2	Confident	70.3	Confident	178 Å²	178	79.9 Å²	79.9	67%	0.674	41%	0.411	S	S	*	.	H	α-helix	trans	-64.6	-41.8	175.7	177.2	77.7	0	0	0	112.2	C133 I134 I135 G140 F141	C133-W137 WeakPolarHBondContact O-CB 3.49Å; C133-W137 PolarHBondContact O-N 2.82Å; C133-W137 VanDerWaalsContact O-N 3.12Å; I134-W137 PolarHBondContact O-N 2.76Å; I135-W137 VanDerWaalsContact C-N 3.26Å; I135-W137 PolarHBondContact O-N 2.94Å; W137-G140 PolarHBondContact O-N 2.95Å; W137-F141 PolarHBondContact O-N 3.46Å; W137-F141 VanDerWaalsContact O-N 3.12Å
138	Y	75.3	Confident	68.2	Low	130 Å²	130	87.9 Å²	87.9	51%	0.51	45%	0.452	S	S	.	.	H	α-helix	trans	-66.9	-45.9	176.5	-176.4	-90.4	0	0	0	111.9	I134 I135 G140 F141 D142	I134-Y138 WeakPolarHBondContact O-CB 3.43Å; I134-Y138 PolarHBondContact O-N 3.05Å; I135-Y138 PolarHBondContact O-N 2.92Å; Y138-G140 VanDerWaalsContact C-N 3.28Å; Y138-G140 PolarHBondContact O-N 2.93Å; Y138-F141 WeakPolarHBondContact O-CB 3.38Å; Y138-F141 PolarHBondContact O-N 3.14Å; Y138-D142 VanDerWaalsContact CE1-OD2 3.23Å; Y138-D142 WeakPolarHBondContact CE1-OD2 3.31Å; Y138-D142 PolarHBondContact O-N 3.06Å; Y138-D142 VanDerWaalsContact O-N 3.15Å
139	E	72.1	Confident	65.8	Low	115 Å²	115	90.4 Å²	90.4	54%	0.537	47%	0.473	S	S	.	.	H	α-helix	trans	-61.4	-37.3	176	-71.4	178.9	178.8	0	0	112.1	I135 F141 D142 Q143	I135-E139 HydrophobicContact CG2-CG 4.48Å; I135-E139 PolarHBondContact O-N 3.37Å; E139-F141 VanDerWaalsContact C-N 3.29Å; E139-F141 PolarHBondContact O-N 3.31Å; E139-D142 PolarHBondContact O-N 2.93Å; E139-Q143 WeakPolarHBondContact O-CG 3.34Å; E139-Q143 PolarHBondContact O-N 2.85Å; E139-Q143 VanDerWaalsContact O-N 3.1Å
140	G	69.7	Low	63.3	Low	29 Å²	29	95.3 Å²	95.3	30%	0.299	49%	0.491	S	S	.	.	H	α-helix	trans	-65.3	-29.9	173.2	0	0	0	0	0	113.6	P136 W137 Y138 N144	P136-G140 PolarHBondContact O-N 3.37Å; W137-G140 PolarHBondContact O-N 2.95Å; Y138-G140 VanDerWaalsContact C-N 3.28Å; Y138-G140 PolarHBondContact O-N 2.93Å; G140-N144 PolarHBondContact O-N 3.43Å
141	F	67.5	Low	60.9	Low	106 Å²	106	100.5 Å²	100.5	47%	0.465	53%	0.534	S	S	.	.	H	α-helix	trans	-72.2	-43.7	176.3	-168.4	-102.2	0	0	0	112	W137 Y138 E139 Q143 N144 Q145	W137-F141 PolarHBondContact O-N 3.46Å; W137-F141 VanDerWaalsContact O-N 3.12Å; Y138-F141 WeakPolarHBondContact O-CB 3.38Å; Y138-F141 PolarHBondContact O-N 3.14Å; E139-F141 VanDerWaalsContact C-N 3.29Å; E139-F141 PolarHBondContact O-N 3.31Å; F141-Q143 VanDerWaalsContact C-N 3.35Å; F141-Q143 PolarHBondContact O-N 3.2Å; F141-N144 PolarHBondContact O-N 2.96Å; F141-Q145 PolarHBondContact O-N 3.44Å; F141-Q145 VanDerWaalsContact O-N 3.15Å
142	D	60.5	Low	58.5	Low	65 Å²	65	103.8 Å²	103.8	35%	0.348	56%	0.562	S	S	.	*	H	α-helix	trans	-65.5	-36.3	176.3	-79.6	-12.5	0	0	0	111.9	Y138 E139 Q145 T146	Y138-D142 VanDerWaalsContact CE1-OD2 3.23Å; Y138-D142 WeakPolarHBondContact CE1-OD2 3.31Å; Y138-D142 PolarHBondContact O-N 3.06Å; Y138-D142 VanDerWaalsContact O-N 3.15Å; E139-D142 PolarHBondContact O-N 2.93Å; D142-Q145 PolarHBondContact O-N 2.88Å; D142-T146 WeakPolarHBondContact O-CG2 3.36Å; D142-T146 PolarHBondContact O-N 2.72Å; D142-T146 PolarHBondContact O-OG1 3.48Å
143	Q	56.5	Low	56.4	Low	111 Å²	111	105 Å²	105	52%	0.519	58%	0.576	S	S	.	*	H	α-helix	trans	-63	-40.9	172.3	-75.5	-177	10.5	0	0	112.1	E139 F141 Q145 T146 T147	E139-Q143 WeakPolarHBondContact O-CG 3.34Å; E139-Q143 PolarHBondContact O-N 2.85Å; E139-Q143 VanDerWaalsContact O-N 3.1Å; F141-Q143 VanDerWaalsContact C-N 3.35Å; F141-Q143 PolarHBondContact O-N 3.2Å; Q143-Q145 VanDerWaalsContact C-N 3.27Å; Q143-Q145 PolarHBondContact O-N 2.92Å; Q143-T146 WeakPolarHBondContact CA-OG1 3.34Å; Q143-T146 PolarHBondContact O-N 3.26Å; Q143-T146 PolarHBondContact O-OG1 3.28Å; Q143-T147 WeakPolarHBondContact O-CB 3.4Å; Q143-T147 WeakPolarHBondContact O-CG2 3.48Å; Q143-T147 PolarHBondContact O-N 3.3Å; Q143-T147 PolarHBondContact O-OG1 3.02Å
144	N	54.6	Low	54	Low	128 Å²	128	110.2 Å²	110.2	68%	0.684	59%	0.59	S	S	*	*	H	α-helix	trans	-67.6	-25.3	176.8	-76.6	-13.1	0	0	0	113.2	G140 F141 T147	G140-N144 PolarHBondContact O-N 3.43Å; F141-N144 PolarHBondContact O-N 2.96Å; N144-T147 PolarHBondContact O-OG1 3.24Å; N144-T147 VanDerWaalsContact O-OG1 3.14Å
145	Q	52.1	Low	51.7	Low	120 Å²	120	114.1 Å²	114.1	56%	0.561	61%	0.607	S	S	*	*	H	α-helix	trans	-82.6	-35.3	173.2	-68.6	-169.6	5.1	0	0	113.2	F141 D142 Q143	F141-Q145 PolarHBondContact O-N 3.44Å; F141-Q145 VanDerWaalsContact O-N 3.15Å; D142-Q145 PolarHBondContact O-N 2.88Å; Q143-Q145 VanDerWaalsContact C-N 3.27Å; Q143-Q145 PolarHBondContact O-N 2.92Å
146	T	49.8	Very low	49.3	Very low	87 Å²	87	117.5 Å²	117.5	53%	0.534	63%	0.625	S	S	.	*	H	α-helix	trans	-83.5	-16.3	-177.6	50.4	0	0	0	0	114	D142 Q143 L148 S149	D142-T146 WeakPolarHBondContact O-CG2 3.36Å; D142-T146 PolarHBondContact O-N 2.72Å; D142-T146 PolarHBondContact O-OG1 3.48Å; Q143-T146 WeakPolarHBondContact CA-OG1 3.34Å; Q143-T146 PolarHBondContact O-N 3.26Å; Q143-T146 PolarHBondContact O-OG1 3.28Å; T146-L148 PolarHBondContact O-N 3.39Å; T146-L148 VanDerWaalsContact O-N 3.14Å; T146-S149 CarbonylContact O-C 3.38Å; T146-S149 PolarHBondContact O-N 3.39Å
147	T	45.4	Very low	47.1	Very low	108 Å²	108	118 Å²	118	66%	0.663	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-8	174.3	41.7	0	0	0	0	114.5	Q143 N144	Q143-T147 WeakPolarHBondContact O-CB 3.4Å; Q143-T147 WeakPolarHBondContact O-CG2 3.48Å; Q143-T147 PolarHBondContact O-N 3.3Å; Q143-T147 PolarHBondContact O-OG1 3.02Å; N144-T147 PolarHBondContact O-OG1 3.24Å; N144-T147 VanDerWaalsContact O-OG1 3.14Å
148	L	42.1	Very low	45.1	Very low	168 Å²	168	115 Å²	115	88%	0.88	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-11.9	168.3	-143.8	81.6	0	0	0	113.7	T146	T146-L148 PolarHBondContact O-N 3.39Å; T146-L148 VanDerWaalsContact O-N 3.14Å
149	S	36.2	Very low	43	Very low	83 Å²	83	118 Å²	118	58%	0.58	65%	0.645	S	S	*	*	S	Bend	trans	-155.2	74.9	-178.9	62.9	0	0	0	0	112.4	T146	T146-S149 CarbonylContact O-C 3.38Å; T146-S149 PolarHBondContact O-N 3.39Å
150	H	32.7	Very low	41.3	Very low	174 Å²	174	117.2 Å²	117.2	81%	0.806	65%	0.65	S	S	*	*			trans	160.9	75.6	146.2	-94	-75	0	0	0	109.9	S152	H150-S152 VanDerWaalsContact C-N 3.31Å; H150-S152 PolarHBondContact O-N 3.17Å
151	A	31	Very low	40	Very low	113 Å²	113	118.6 Å²	118.6	93%	0.934	65%	0.65	S	S	*	*			trans	-80.3	79.5	161.4	0	0	0	0	0	109.1
152	S	28.8	Very low	38.7	Very low	100 Å²	100	116.1 Å²	116.1	70%	0.699	65%	0.646	S	S	*	*			trans	-161.6	144.2	160.5	-157.3	0	0	0	0	111.4	H150	H150-S152 VanDerWaalsContact C-N 3.31Å; H150-S152 PolarHBondContact O-N 3.17Å
153	S	30.9	Very low	37.8	Very low	106 Å²	106	114.4 Å²	114.4	74%	0.741	64%	0.637	S	S	*	*			trans	64.3	77.8	-179.8	66	0	0	0	0	117.2	Q155	S153-Q155 PolarHBondContact O-N 3.2Å
154	K	27.6	Very low	37.4	Very low	188 Å²	188	112.4 Å²	112.4	82%	0.817	63%	0.629	S	S	*	*			trans	-75.2	77.6	156.2	-161.2	-179.6	-172.1	-175	0	108.5
155	Q	28.6	Very low	37.3	Very low	174 Å²	174	108.5 Å²	108.5	81%	0.813	61%	0.61	S	S	*	*			trans	-90.5	100.4	163.4	-159.5	170.2	7.9	0	0	105.1	S153 S157	S153-Q155 PolarHBondContact O-N 3.2Å; Q155-S157 PolarHBondContact O-N 3.25Å
156	D	27	Very low	37.3	Very low	118 Å²	118	106.7 Å²	106.7	63%	0.631	60%	0.598	S	S	*	*			trans	-63.3	79.4	176.3	-67.6	-39	0	0	0	108.5	P158	D156-P158 WeakPolarHBondContact O-CD 3.37Å
157	S	26	Very low	37.9	Very low	78 Å²	78	107.6 Å²	107.6	55%	0.545	60%	0.599	S	S	.	*			trans	-71.2	109.7	157.4	53	0	0	0	0	105.3	Q155 Y159	Q155-S157 PolarHBondContact O-N 3.25Å; S157-Y159 PolarHBondContact O-N 3.48Å
158	P	32.8	Very low	39.2	Very low	114 Å²	114	103 Å²	103	74%	0.74	57%	0.57	S	S	*	*			trans	-61.3	110.7	172.5	25.9	-29.9	0	0	0	104.6	D156 P160	D156-P158 WeakPolarHBondContact O-CD 3.37Å; P158-P160 WeakPolarHBondContact O-CD 3.23Å
159	Y	31.4	Very low	41.2	Very low	193 Å²	193	97.8 Å²	97.8	76%	0.757	54%	0.543	S	S	*	.			trans	-48.5	107.5	175.4	-64.1	-87.7	0	0	0	106.8	S157 I161	S157-Y159 PolarHBondContact O-N 3.48Å; Y159-I161 VanDerWaalsContact C-N 3.27Å; Y159-I161 PolarHBondContact O-N 3.38Å
160	P	35.7	Very low	43.6	Very low	98 Å²	98	93.9 Å²	93.9	64%	0.636	52%	0.515	S	S	*	.			trans	-70.2	103.5	173.2	27.1	-24.5	0	0	0	102.8	P158 S162	P158-P160 WeakPolarHBondContact O-CD 3.23Å; P160-S162 VanDerWaalsContact C-N 3.33Å; P160-S162 WeakPolarHBondContact O-CA 3.34Å; P160-S162 PolarHBondContact O-N 2.99Å
161	I	42.6	Very low	46.3	Very low	59 Å²	59	86.6 Å²	86.6	30%	0.303	48%	0.483	S	S	.	.			trans	-43.4	103.6	177.7	-69	153.7	0	0	0	106.3	Y159 L163 V165 R166	Y159-I161 VanDerWaalsContact C-N 3.27Å; Y159-I161 PolarHBondContact O-N 3.38Å; I161-L163 PolarHBondContact O-N 3.13Å; I161-V165 HydrophobicContact CG2-CB 4.15Å; I161-V165 HydrophobicContact CG2-CG1 4.01Å; I161-R166 HydrophobicContact CG2-CG 4.34Å
162	S	40.1	Very low	49.1	Very low	54 Å²	54	84.7 Å²	84.7	38%	0.378	46%	0.459	S	S	.	.			trans	-55.6	139.1	-163.7	64.8	0	0	0	0	109.7	P160 N164 V165	P160-S162 VanDerWaalsContact C-N 3.33Å; P160-S162 WeakPolarHBondContact O-CA 3.34Å; P160-S162 PolarHBondContact O-N 2.99Å; S162-N164 PolarHBondContact O-N 2.87Å; S162-V165 WeakPolarHBondContact O-CA 3.14Å; S162-V165 WeakPolarHBondContact O-CB 3.38Å; S162-V165 PolarHBondContact O-N 3.16Å; S162-V165 VanDerWaalsContact OG-CG2 3.32Å; S162-V165 WeakPolarHBondContact OG-CG2 3.41Å
163	L	43.1	Very low	52.1	Low	29 Å²	29	81.5 Å²	81.5	15%	0.152	43%	0.431	C	S	.	.	H	α-helix	trans	-43	-33.1	174.1	-171.4	151.8	0	0	0	113.4	I161 V165 R166 I167 M528 L532	I161-L163 PolarHBondContact O-N 3.13Å; L163-V165 VanDerWaalsContact C-N 3.34Å; L163-V165 PolarHBondContact O-N 3.31Å; L163-R166 PolarHBondContact O-N 2.93Å; L163-I167 HydrophobicContact CD2-CD1 4.04Å; L163-I167 PolarHBondContact O-N 3.21Å; L163-M528 HydrophobicContact CD1-CB 3.19Å; L163-M528 HydrophobicContact CD1-CE 4.08Å; L163-M528 HydrophobicContact CD1-CG 3.69Å; L163-L532 HydrophobicContact CD1-CD1 4.3Å; L163-L532 HydrophobicContact CG-CD1 4.05Å
164	N	46.2	Very low	55.1	Low	68 Å²	68	76.4 Å²	76.4	36%	0.364	40%	0.396	S	S	.	.	H	α-helix	trans	-67	-23.7	175.6	-66.6	-40.1	0	0	0	115.1	L4 S162	L4-N164 HydrophobicContact CD1-CB 4.37Å; L4-N164 HydrophobicContact CD2-CB 4.42Å; L4-N164 HydrophobicContact CG-CB 4.22Å; S162-N164 PolarHBondContact O-N 2.87Å
165	V	52.3	Low	58.3	Low	47 Å²	47	70.9 Å²	70.9	29%	0.285	38%	0.378	S	S	.	.	H	α-helix	trans	-77.5	-23.6	174.8	172.8	0	0	0	0	110.9	V3 Y131 I161 S162 L163	V3-V165 HydrophobicContact CG1-CG2 4.28Å; Y131-V165 HydrophobicContact CD1-CG1 4.23Å; Y131-V165 HydrophobicContact CE1-CG1 4.2Å; I161-V165 HydrophobicContact CG2-CB 4.15Å; I161-V165 HydrophobicContact CG2-CG1 4.01Å; S162-V165 WeakPolarHBondContact O-CA 3.14Å; S162-V165 WeakPolarHBondContact O-CB 3.38Å; S162-V165 PolarHBondContact O-N 3.16Å; S162-V165 VanDerWaalsContact OG-CG2 3.32Å; S162-V165 WeakPolarHBondContact OG-CG2 3.41Å; L163-V165 VanDerWaalsContact C-N 3.34Å; L163-V165 PolarHBondContact O-N 3.31Å
166	R	53.1	Low	61.4	Low	81 Å²	81	66.4 Å²	66.4	31%	0.306	36%	0.359	S	S	.	.	H	α-helix	trans	-97.4	-32.6	-173.5	-69.7	-176	-167.4	-107.3	5.4	115.5	I161 L163 N168 M536	I161-R166 HydrophobicContact CG2-CG 4.34Å; L163-R166 PolarHBondContact O-N 2.93Å; R166-N168 PolarHBondContact O-N 3.49Å; R166-M536 PolarHBondContact NH1-SD 2.96Å
167	I	63	Low	64.7	Low	107 Å²	107	60.8 Å²	60.8	55%	0.549	33%	0.329	S	S	.	.	S	Bend	trans	-73.8	76.4	169.3	-54.2	177.7	0	0	0	107.5	Q7 L163 L169	Q7-I167 PolarHBondContact OE1-O 2.91Å; L163-I167 HydrophobicContact CD2-CD1 4.04Å; L163-I167 PolarHBondContact O-N 3.21Å; I167-L169 PolarHBondContact O-N 3Å
168	N	72.9	Confident	68.1	Low	11 Å²	11	58.2 Å²	58.2	6%	0.059	31%	0.309	C	S	.	.			trans	-78.5	112.5	-179.7	-170.1	-9.3	0	0	0	108.3	N127 R166 S170 L171	N127-N168 PolarHBondContact ND2-OD1 3.24Å; R166-N168 PolarHBondContact O-N 3.49Å; N168-S170 PolarHBondContact ND2-OG 3.33Å; N168-S170 VanDerWaalsContact ND2-OG 3.1Å; N168-S170 PolarHBondContact O-N 3.34Å; N168-S170 WeakPolarHBondContact OD1-CB 3.17Å; N168-S170 PolarHBondContact OD1-N 3.08Å; N168-S170 PolarHBondContact OD1-OG 3.42Å; N168-L171 HydrophobicContact CB-CD1 4.05Å; N168-L171 HydrophobicContact CB-CG 4.01Å; N168-L171 VanDerWaalsContact O-CB 3.26Å; N168-L171 WeakPolarHBondContact O-CB 3.5Å; N168-L171 PolarHBondContact O-N 3.32Å
169	L	83.8	Confident	71.1	Confident	59 Å²	59	60.9 Å²	60.9	31%	0.309	31%	0.305	S	S	.	.	H	α-helix	trans	-56	-23.6	178.4	-169.3	62.8	0	0	0	112.1	Q7 T11 I167 L171 V172	Q7-L169 HydrophobicContact CB-CB 4.24Å; T11-L169 HydrophobicContact CG2-CB 4.17Å; T11-L169 HydrophobicContact CG2-CD2 3.4Å; T11-L169 HydrophobicContact CG2-CG 3.64Å; T11-L169 WeakPolarHBondContact OG1-CD2 3.5Å; I167-L169 PolarHBondContact O-N 3Å; L169-L171 VanDerWaalsContact C-N 3.25Å; L169-L171 PolarHBondContact O-N 3.25Å; L169-V172 HydrophobicContact CD1-CB 4.45Å; L169-V172 HydrophobicContact CD1-CG2 4.11Å; L169-V172 WeakPolarHBondContact O-CB 3.34Å; L169-V172 PolarHBondContact O-N 3.35Å; L169-V172 VanDerWaalsContact O-N 3.14Å
170	S	86.5	Confident	74.1	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.6	-26.8	171.5	71.1	0	0	0	0	113.7	N168 V172 W173 M174	N168-S170 PolarHBondContact ND2-OG 3.33Å; N168-S170 VanDerWaalsContact ND2-OG 3.1Å; N168-S170 PolarHBondContact O-N 3.34Å; N168-S170 WeakPolarHBondContact OD1-CB 3.17Å; N168-S170 PolarHBondContact OD1-N 3.08Å; N168-S170 PolarHBondContact OD1-OG 3.42Å; S170-V172 VanDerWaalsContact C-N 3.25Å; S170-V172 PolarHBondContact O-N 3.11Å; S170-W173 WeakPolarHBondContact O-CB 3.28Å; S170-W173 PolarHBondContact O-N 2.85Å; S170-W173 VanDerWaalsContact O-N 3.13Å; S170-M174 WeakPolarHBondContact O-CG 3.33Å; S170-M174 PolarHBondContact O-N 3.24Å
171	L	88.6	Confident	77	Confident	22 Å²	22	50.1 Å²	50.1	12%	0.115	25%	0.252	C	S	.	.	H	α-helix	trans	-67.3	-30.2	175	-61.5	172.5	0	0	0	111.4	N168 L169 W173 M174 T175 L456 N459	N168-L171 HydrophobicContact CB-CD1 4.05Å; N168-L171 HydrophobicContact CB-CG 4.01Å; N168-L171 VanDerWaalsContact O-CB 3.26Å; N168-L171 WeakPolarHBondContact O-CB 3.5Å; N168-L171 PolarHBondContact O-N 3.32Å; L169-L171 VanDerWaalsContact C-N 3.25Å; L169-L171 PolarHBondContact O-N 3.25Å; L171-W173 VanDerWaalsContact C-N 3.32Å; L171-M174 PolarHBondContact O-N 3.46Å; L171-T175 WeakPolarHBondContact O-CB 3.43Å; L171-T175 PolarHBondContact O-N 2.99Å; L171-T175 PolarHBondContact O-OG1 2.95Å; L171-L456 HydrophobicContact CB-CD2 4.47Å; L171-L456 HydrophobicContact CD2-CD2 4.14Å; L171-N459 HydrophobicContact CD1-CB 4.13Å; L171-N459 HydrophobicContact CD2-CB 3.61Å; L171-N459 HydrophobicContact CG-CB 4.45Å
172	V	90.4	Very high	79.5	Confident	72 Å²	72	50.2 Å²	50.2	44%	0.436	25%	0.253	S	S	.	.	H	α-helix	trans	-63	-43.8	171.5	-177.9	0	0	0	0	109.6	L169 S170 M174 T175 L176	L169-V172 HydrophobicContact CD1-CB 4.45Å; L169-V172 HydrophobicContact CD1-CG2 4.11Å; L169-V172 WeakPolarHBondContact O-CB 3.34Å; L169-V172 PolarHBondContact O-N 3.35Å; L169-V172 VanDerWaalsContact O-N 3.14Å; S170-V172 VanDerWaalsContact C-N 3.25Å; S170-V172 PolarHBondContact O-N 3.11Å; V172-M174 PolarHBondContact O-N 3.36Å; V172-T175 PolarHBondContact O-N 3.45Å; V172-L176 HydrophobicContact CG1-CD1 4.18Å; V172-L176 HydrophobicContact CG1-CG 4.45Å; V172-L176 WeakPolarHBondContact O-CB 3.48Å; V172-L176 VanDerWaalsContact O-CG 3.29Å; V172-L176 WeakPolarHBondContact O-CG 3.49Å; V172-L176 PolarHBondContact O-N 2.92Å
173	W	92.2	Very high	82.1	Confident	33 Å²	33	55.4 Å²	55.4	13%	0.125	26%	0.264	C	S	.	.	H	α-helix	trans	-62.7	-42.5	175.1	-72.4	87.5	0	0	0	112.8	A14 A15 L18 F116 A120 S170 L171 T175 L176 S177	A14-W173 HydrophobicContact CB-CH2 4.48Å; A14-W173 HydrophobicContact CB-CZ2 4.38Å; A15-W173 HydrophobicContact CB-CH2 4.4Å; A15-W173 HydrophobicContact CB-CZ2 4.46Å; L18-W173 HydrophobicContact CD2-CZ3 4.33Å; F116-W173 HydrophobicContact CD2-CZ3 4.27Å; F116-W173 HydrophobicContact CE1-CE3 4.33Å; F116-W173 AromaticContact CE2-CE3 3.75Å; F116-W173 HydrophobicContact CE2-CE3 3.75Å; F116-W173 AromaticContact CE2-CZ3 3.52Å; F116-W173 HydrophobicContact CE2-CZ3 3.52Å; F116-W173 AromaticContact CZ-CE3 3.57Å; F116-W173 HydrophobicContact CZ-CE3 3.57Å; F116-W173 AromaticContact CZ-CZ3 3.87Å; F116-W173 HydrophobicContact CZ-CZ3 3.87Å; A120-W173 HydrophobicContact CB-CB 3.93Å; A120-W173 HydrophobicContact CB-CE3 4.42Å; S170-W173 WeakPolarHBondContact O-CB 3.28Å; S170-W173 PolarHBondContact O-N 2.85Å; S170-W173 VanDerWaalsContact O-N 3.13Å; L171-W173 VanDerWaalsContact C-N 3.32Å; W173-T175 VanDerWaalsContact C-N 3.32Å; W173-T175 PolarHBondContact O-N 3.03Å; W173-L176 PolarHBondContact O-N 3.39Å; W173-S177 WeakPolarHBondContact O-CB 3.47Å; W173-S177 PolarHBondContact O-N 3.37Å
174	M	94.1	Very high	84.6	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-65.6	-36.2	175.7	-63.9	-49.3	-61.1	0	0	112.2	A120 Y124 S170 L171 V172 S177 L178 L451 C452 C455 L456	A120-M174 HydrophobicContact CB-SD 4.24Å; Y124-M174 HydrophobicContact CD2-CG 4.26Å; Y124-M174 HydrophobicContact CG-CG 4.36Å; Y124-M174 HydrophobicContact CG-SD 4.37Å; S170-M174 WeakPolarHBondContact O-CG 3.33Å; S170-M174 PolarHBondContact O-N 3.24Å; L171-M174 PolarHBondContact O-N 3.46Å; V172-M174 PolarHBondContact O-N 3.36Å; M174-S177 PolarHBondContact O-N 3.08Å; M174-L178 WeakPolarHBondContact O-CB 3.45Å; M174-L178 PolarHBondContact O-N 3.47Å; M174-L451 HydrophobicContact CE-CD2 3.78Å; M174-C452 HydrophobicContact CE-CB 4.08Å; M174-C455 HydrophobicContact CE-CB 3.86Å; M174-C455 HydrophobicContact CG-CB 4.32Å; M174-L456 HydrophobicContact CB-CD2 4.29Å; M174-L456 HydrophobicContact CB-CG 4.48Å
175	T	93.8	Very high	86.9	Confident	72 Å²	72	51.6 Å²	51.6	44%	0.442	24%	0.244	S	C	.	.	H	α-helix	trans	-69.3	-40.9	175.9	-55.8	0	0	0	0	111.4	L171 V172 W173 S177 L178 W179	L171-T175 WeakPolarHBondContact O-CB 3.43Å; L171-T175 PolarHBondContact O-N 2.99Å; L171-T175 PolarHBondContact O-OG1 2.95Å; V172-T175 PolarHBondContact O-N 3.45Å; W173-T175 VanDerWaalsContact C-N 3.32Å; W173-T175 PolarHBondContact O-N 3.03Å; T175-S177 VanDerWaalsContact C-N 3.32Å; T175-L178 WeakPolarHBondContact O-CB 3.15Å; T175-L178 PolarHBondContact O-N 3.31Å; T175-W179 PolarHBondContact O-N 3.39Å
176	L	94.6	Very high	88.9	Confident	79 Å²	79	53 Å²	53	41%	0.414	25%	0.252	S	S	.	.	H	α-helix	trans	-64	-39	172.9	-71.9	172.7	0	0	0	111.6	F116 V172 W173 W179 F180	F116-L176 HydrophobicContact CE1-CB 3.84Å; F116-L176 HydrophobicContact CZ-CB 3.64Å; F116-L176 HydrophobicContact CZ-CD1 4.22Å; V172-L176 HydrophobicContact CG1-CD1 4.18Å; V172-L176 HydrophobicContact CG1-CG 4.45Å; V172-L176 WeakPolarHBondContact O-CB 3.48Å; V172-L176 VanDerWaalsContact O-CG 3.29Å; V172-L176 WeakPolarHBondContact O-CG 3.49Å; V172-L176 PolarHBondContact O-N 2.92Å; W173-L176 PolarHBondContact O-N 3.39Å; L176-W179 WeakPolarHBondContact O-CB 2.94Å; L176-W179 PolarHBondContact O-N 3.35Å; L176-F180 WeakPolarHBondContact O-CD2 3.21Å; L176-F180 PolarHBondContact O-N 3.4Å
177	S	95.7	Very high	90.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.8	-42.5	175.4	-179	0	0	0	0	110.8	T117 W173 M174 T175 W179 F180 T181 C452	T117-S177 WeakPolarHBondContact CB-OG 3.38Å; T117-S177 WeakPolarHBondContact CG2-OG 3.32Å; T117-S177 PolarHBondContact OG1-OG 3.31Å; W173-S177 WeakPolarHBondContact O-CB 3.47Å; W173-S177 PolarHBondContact O-N 3.37Å; M174-S177 PolarHBondContact O-N 3.08Å; T175-S177 VanDerWaalsContact C-N 3.32Å; S177-W179 VanDerWaalsContact C-N 3.32Å; S177-W179 PolarHBondContact O-N 3.05Å; S177-F180 PolarHBondContact O-N 2.91Å; S177-T181 WeakPolarHBondContact O-CG2 3.4Å; S177-T181 PolarHBondContact O-N 3.49Å; S177-T181 PolarHBondContact O-OG1 3.37Å; S177-C452 PolarHBondContact OG-SG 2.8Å
178	L	96.1	Very high	92	Very high	24 Å²	24	47 Å²	47	13%	0.126	23%	0.232	C	C	.	.	H	α-helix	trans	-58.4	-44.7	172.6	-176.5	66.1	0	0	0	111.1	M174 T175 F180 T181 I182 L449 C452 L453 L456	M174-L178 WeakPolarHBondContact O-CB 3.45Å; M174-L178 PolarHBondContact O-N 3.47Å; T175-L178 WeakPolarHBondContact O-CB 3.15Å; T175-L178 PolarHBondContact O-N 3.31Å; L178-F180 PolarHBondContact O-N 3.17Å; L178-T181 WeakPolarHBondContact CA-OG1 3.36Å; L178-T181 PolarHBondContact O-N 3.13Å; L178-T181 PolarHBondContact O-OG1 3.23Å; L178-I182 HydrophobicContact CD1-CD1 4.22Å; L178-I182 HydrophobicContact CG-CD1 3.99Å; L178-I182 WeakPolarHBondContact O-CG1 3.25Å; L178-I182 PolarHBondContact O-N 3.3Å; L178-L449 HydrophobicContact CD1-CG 4.02Å; L178-C452 HydrophobicContact CB-CB 3.96Å; L178-C452 HydrophobicContact CD1-CB 4.07Å; L178-L453 HydrophobicContact CD1-CD2 4.01Å; L178-L453 HydrophobicContact CD1-CG 3.97Å; L178-L453 HydrophobicContact CD2-CD2 3.87Å; L178-L456 HydrophobicContact CD2-CD1 3.79Å
179	W	95.7	Very high	92.7	Very high	170 Å²	170	46.8 Å²	46.8	64%	0.644	23%	0.232	S	C	*	.	H	α-helix	trans	-59.9	-46.2	175	174.6	-96.3	0	0	0	112.5	T175 L176 S177 T181 I182 R183	T175-W179 PolarHBondContact O-N 3.39Å; L176-W179 WeakPolarHBondContact O-CB 2.94Å; L176-W179 PolarHBondContact O-N 3.35Å; S177-W179 VanDerWaalsContact C-N 3.32Å; S177-W179 PolarHBondContact O-N 3.05Å; W179-T181 VanDerWaalsContact C-N 3.35Å; W179-T181 PolarHBondContact O-N 3.01Å; W179-I182 PolarHBondContact O-N 3.14Å; W179-R183 WeakPolarHBondContact O-CB 3.34Å; W179-R183 PolarHBondContact O-N 3.25Å
180	F	95.7	Very high	92.9	Very high	65 Å²	65	46.4 Å²	46.4	29%	0.285	24%	0.237	S	C	.	.	H	α-helix	trans	-62.9	-39.6	177.7	-76.2	-51.8	0	0	0	112.9	L113 F116 L176 S177 L178 T184	L113-F180 HydrophobicContact CD1-CB 4.02Å; F116-F180 AromaticContact CD1-CD2 3.6Å; F116-F180 HydrophobicContact CD1-CD2 3.6Å; F116-F180 AromaticContact CD1-CE2 3.92Å; F116-F180 HydrophobicContact CD1-CE2 3.92Å; F116-F180 HydrophobicContact CD2-CD2 4.37Å; F116-F180 AromaticContact CD2-CE2 3.89Å; F116-F180 HydrophobicContact CD2-CE2 3.89Å; F116-F180 AromaticContact CE1-CD2 3.77Å; F116-F180 HydrophobicContact CE1-CD2 3.77Å; F116-F180 AromaticContact CE1-CE2 3.9Å; F116-F180 HydrophobicContact CE1-CE2 3.9Å; F116-F180 AromaticContact CE2-CE2 3.86Å; F116-F180 HydrophobicContact CE2-CE2 3.86Å; F116-F180 AromaticContact CG-CD2 3.93Å; F116-F180 HydrophobicContact CG-CD2 3.93Å; F116-F180 AromaticContact CG-CE2 3.92Å; F116-F180 HydrophobicContact CG-CE2 3.92Å; F116-F180 HydrophobicContact CZ-CD2 4.23Å; F116-F180 AromaticContact CZ-CE2 3.87Å; F116-F180 HydrophobicContact CZ-CE2 3.87Å; L176-F180 WeakPolarHBondContact O-CD2 3.21Å; L176-F180 PolarHBondContact O-N 3.4Å; S177-F180 PolarHBondContact O-N 2.91Å; L178-F180 PolarHBondContact O-N 3.17Å; F180-T184 VanDerWaalsContact O-CB 3.28Å; F180-T184 WeakPolarHBondContact O-CB 3.32Å; F180-T184 PolarHBondContact O-N 3.44Å; F180-T184 PolarHBondContact O-OG1 3.44Å
181	T	96	Very high	92.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65	-45.4	176.5	57.1	0	0	0	0	111.8	L113 S177 L178 W179 T184 L185 F448	L113-T181 HydrophobicContact CD1-CG2 3.67Å; S177-T181 WeakPolarHBondContact O-CG2 3.4Å; S177-T181 PolarHBondContact O-N 3.49Å; S177-T181 PolarHBondContact O-OG1 3.37Å; L178-T181 WeakPolarHBondContact CA-OG1 3.36Å; L178-T181 PolarHBondContact O-N 3.13Å; L178-T181 PolarHBondContact O-OG1 3.23Å; W179-T181 VanDerWaalsContact C-N 3.35Å; W179-T181 PolarHBondContact O-N 3.01Å; T181-T184 PolarHBondContact O-N 3.44Å; T181-L185 WeakPolarHBondContact O-CG 3.35Å; T181-L185 PolarHBondContact O-N 2.85Å; T181-F448 HydrophobicContact CG2-CB 3.46Å; T181-F448 VanDerWaalsContact CG2-CB 3.46Å
182	I	96	Very high	92.2	Very high	62 Å²	62	50.9 Å²	50.9	32%	0.318	26%	0.257	S	S	.	.	H	α-helix	trans	-62.5	-48.3	176.2	-67.8	168.9	0	0	0	110.6	L178 W179 T184 L185 V186 L449	L178-I182 HydrophobicContact CD1-CD1 4.22Å; L178-I182 HydrophobicContact CG-CD1 3.99Å; L178-I182 WeakPolarHBondContact O-CG1 3.25Å; L178-I182 PolarHBondContact O-N 3.3Å; W179-I182 PolarHBondContact O-N 3.14Å; I182-T184 PolarHBondContact O-N 2.84Å; I182-L185 PolarHBondContact O-N 3.28Å; I182-L185 VanDerWaalsContact O-N 3.16Å; I182-V186 HydrophobicContact CG2-CG2 4.35Å; I182-V186 WeakPolarHBondContact O-CG2 3.39Å; I182-V186 PolarHBondContact O-N 3.47Å; I182-L449 HydrophobicContact CG1-CD1 4.01Å
183	R	95.1	Very high	91.7	Very high	163 Å²	163	51.6 Å²	51.6	62%	0.615	25%	0.254	S	S	*	.	H	α-helix	trans	-54.9	-43.3	175.8	178.5	-174.3	176	-156.9	0.2	111.4	W179 V186 S187	W179-R183 WeakPolarHBondContact O-CB 3.34Å; W179-R183 PolarHBondContact O-N 3.25Å; R183-V186 PolarHBondContact O-N 2.86Å; R183-S187 WeakPolarHBondContact O-CB 3.32Å; R183-S187 PolarHBondContact O-N 3.23Å
184	T	93.8	Very high	90.8	Very high	17 Å²	17	56.9 Å²	56.9	10%	0.104	28%	0.28	C	S	.	.	H	α-helix	trans	-65.8	-44.9	179.6	-61.1	0	0	0	0	111.4	L113 F180 T181 I182 V186 S187 L188 L441	L113-T184 HydrophobicContact CD2-CG2 4.18Å; F180-T184 VanDerWaalsContact O-CB 3.28Å; F180-T184 WeakPolarHBondContact O-CB 3.32Å; F180-T184 PolarHBondContact O-N 3.44Å; F180-T184 PolarHBondContact O-OG1 3.44Å; T181-T184 PolarHBondContact O-N 3.44Å; I182-T184 PolarHBondContact O-N 2.84Å; T184-V186 PolarHBondContact O-N 3.49Å; T184-S187 PolarHBondContact O-N 3.03Å; T184-L188 HydrophobicContact CG2-CD1 4.32Å; T184-L188 HydrophobicContact CG2-CG 4.44Å; T184-L188 VanDerWaalsContact O-CG 3.29Å; T184-L188 WeakPolarHBondContact O-CG 3.23Å; T184-L188 PolarHBondContact O-N 3.25Å; T184-L441 HydrophobicContact CG2-CD1 3.71Å; T184-L441 HydrophobicContact CG2-CD2 3.21Å; T184-L441 HydrophobicContact CG2-CG 3.38Å
185	L	94.8	Very high	89.1	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-61.6	-42.9	175.5	-74.6	167.2	0	0	0	112	T181 I182 S187 L188 T189 L291 F292 P295 P446 L449	T181-L185 WeakPolarHBondContact O-CG 3.35Å; T181-L185 PolarHBondContact O-N 2.85Å; I182-L185 PolarHBondContact O-N 3.28Å; I182-L185 VanDerWaalsContact O-N 3.16Å; L185-S187 VanDerWaalsContact C-N 3.34Å; L185-S187 PolarHBondContact O-N 2.95Å; L185-L188 HydrophobicContact CD2-CD1 4.45Å; L185-L188 WeakPolarHBondContact O-CB 3.46Å; L185-L188 PolarHBondContact O-N 3.21Å; L185-T189 PolarHBondContact O-N 3.23Å; L185-T189 PolarHBondContact O-OG1 3.33Å; L185-L291 HydrophobicContact CB-CB 4.23Å; L185-L291 HydrophobicContact CB-CD1 4.21Å; L185-L291 HydrophobicContact CB-CD2 4.29Å; L185-L291 HydrophobicContact CB-CG 4.48Å; L185-F292 HydrophobicContact CD1-CE1 3.9Å; L185-P295 HydrophobicContact CD2-CG 3.95Å; L185-P446 HydrophobicContact CD2-CG 4.38Å; L185-L449 HydrophobicContact CD1-CD1 3.47Å; L185-L449 VanDerWaalsContact CD1-CD1 3.47Å
186	V	94.2	Very high	87.2	Confident	75 Å²	75	65.9 Å²	65.9	46%	0.455	32%	0.322	S	S	.	.	H	α-helix	trans	-60.3	-45.3	174.7	172.6	0	0	0	0	110.6	I182 R183 T184 L188 T189 A190 L291	I182-V186 HydrophobicContact CG2-CG2 4.35Å; I182-V186 WeakPolarHBondContact O-CG2 3.39Å; I182-V186 PolarHBondContact O-N 3.47Å; R183-V186 PolarHBondContact O-N 2.86Å; T184-V186 PolarHBondContact O-N 3.49Å; V186-L188 VanDerWaalsContact C-N 3.31Å; V186-L188 PolarHBondContact O-N 2.85Å; V186-T189 PolarHBondContact O-N 3.22Å; V186-A190 VanDerWaalsContact O-CB 3.3Å; V186-A190 WeakPolarHBondContact O-CB 3.39Å; V186-A190 PolarHBondContact O-N 3.49Å; V186-L291 HydrophobicContact CB-CD2 4.48Å; V186-L291 HydrophobicContact CG2-CD1 4.2Å; V186-L291 HydrophobicContact CG2-CD2 3.85Å
187	S	91.6	Very high	85	Confident	58 Å²	58	68.1 Å²	68.1	41%	0.406	33%	0.334	S	S	.	.	H	α-helix	trans	-62.8	-37.1	176.3	-174	0	0	0	0	112.5	R183 T184 L185 A190 I191	R183-S187 WeakPolarHBondContact O-CB 3.32Å; R183-S187 PolarHBondContact O-N 3.23Å; T184-S187 PolarHBondContact O-N 3.03Å; L185-S187 VanDerWaalsContact C-N 3.34Å; L185-S187 PolarHBondContact O-N 2.95Å; S187-A190 PolarHBondContact O-N 3.15Å; S187-I191 WeakPolarHBondContact O-CG1 3.39Å; S187-I191 PolarHBondContact O-N 2.94Å
188	L	89.7	Confident	82.3	Confident	4 Å²	4	74.1 Å²	74.1	2%	0.021	37%	0.366	C	S	.	.	H	α-helix	trans	-65.3	-46.3	175.8	-74.8	175.1	0	0	0	111	L106 T184 L185 V186 A190 I191 Y192 L438 L441 Q442	L106-L188 HydrophobicContact CD2-CD2 4.02Å; T184-L188 HydrophobicContact CG2-CD1 4.32Å; T184-L188 HydrophobicContact CG2-CG 4.44Å; T184-L188 VanDerWaalsContact O-CG 3.29Å; T184-L188 WeakPolarHBondContact O-CG 3.23Å; T184-L188 PolarHBondContact O-N 3.25Å; L185-L188 HydrophobicContact CD2-CD1 4.45Å; L185-L188 WeakPolarHBondContact O-CB 3.46Å; L185-L188 PolarHBondContact O-N 3.21Å; V186-L188 VanDerWaalsContact C-N 3.31Å; V186-L188 PolarHBondContact O-N 2.85Å; L188-A190 VanDerWaalsContact C-N 3.32Å; L188-A190 PolarHBondContact O-N 3.34Å; L188-I191 PolarHBondContact O-N 3.08Å; L188-Y192 WeakPolarHBondContact O-CD2 3.32Å; L188-L438 HydrophobicContact CD2-CD1 3.34Å; L188-L441 HydrophobicContact CD1-CB 4.17Å; L188-L441 HydrophobicContact CD1-CD2 4.14Å; L188-L441 HydrophobicContact CD1-CG 3.96Å; L188-L441 HydrophobicContact CD2-CB 4.34Å; L188-L441 HydrophobicContact CD2-CD2 3.86Å; L188-L441 HydrophobicContact CD2-CG 4.4Å; L188-L441 HydrophobicContact CG-CD2 4.07Å; L188-L441 HydrophobicContact CG-CG 4.44Å; L188-Q442 HydrophobicContact CD1-CG 4.11Å; L188-Q442 HydrophobicContact CD2-CG 4.47Å
189	T	88.8	Confident	79.7	Confident	8 Å²	8	76 Å²	76	5%	0.049	39%	0.386	C	S	.	.	H	α-helix	trans	-65.7	-37.1	177.4	-50.2	0	0	0	0	111.1	L185 V186 I191 Y192 F193 I226 Y294	L185-T189 PolarHBondContact O-N 3.23Å; L185-T189 PolarHBondContact O-OG1 3.33Å; V186-T189 PolarHBondContact O-N 3.22Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 2.9Å; T189-Y192 PolarHBondContact O-N 2.89Å; T189-Y192 VanDerWaalsContact O-N 3.13Å; T189-F193 HydrophobicContact CG2-CD2 4.12Å; T189-F193 HydrophobicContact CG2-CE2 3.54Å; T189-F193 HydrophobicContact CG2-CZ 4.45Å; T189-F193 WeakPolarHBondContact O-CD2 3.32Å; T189-F193 PolarHBondContact O-N 3.38Å; T189-I226 HydrophobicContact CG2-CD1 3.91Å; T189-Y294 HydrophobicContact CG2-CD2 4.24Å; T189-Y294 HydrophobicContact CG2-CE2 4.13Å
190	A	87.5	Confident	76.9	Confident	51 Å²	51	74.3 Å²	74.3	42%	0.421	39%	0.394	S	S	.	.	H	α-helix	trans	-60.6	-35	177.5	0	0	0	0	0	113.7	V186 S187 L188 Y192 F193 Q194	V186-A190 VanDerWaalsContact O-CB 3.3Å; V186-A190 WeakPolarHBondContact O-CB 3.39Å; V186-A190 PolarHBondContact O-N 3.49Å; S187-A190 PolarHBondContact O-N 3.15Å; L188-A190 VanDerWaalsContact C-N 3.32Å; L188-A190 PolarHBondContact O-N 3.34Å; A190-Y192 PolarHBondContact O-N 3.08Å; A190-F193 PolarHBondContact O-N 3.4Å; A190-F193 VanDerWaalsContact O-N 3.11Å; A190-Q194 PolarHBondContact O-N 2.97Å
191	I	84.2	Confident	73.6	Confident	66 Å²	66	78.7 Å²	78.7	34%	0.338	41%	0.413	S	S	.	.	H	α-helix	trans	-60.1	-33.6	177	-69.5	163.9	0	0	0	111.3	L106 S187 L188 T189 L438	L106-I191 HydrophobicContact CD1-CD1 4.22Å; L106-I191 HydrophobicContact CD2-CD1 3.9Å; S187-I191 WeakPolarHBondContact O-CG1 3.39Å; S187-I191 PolarHBondContact O-N 2.94Å; L188-I191 PolarHBondContact O-N 3.08Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 2.9Å; I191-L438 HydrophobicContact CD1-CD1 4.3Å
192	Y	76.1	Confident	70.6	Confident	50 Å²	50	85.3 Å²	85.3	20%	0.196	45%	0.447	C	S	.	.	H	α-helix	trans	-81.3	-22.2	178.2	-65.4	-77	0	0	0	113.4	L188 T189 A190 Q194 E222 Y294 Q442	L188-Y192 WeakPolarHBondContact O-CD2 3.32Å; T189-Y192 PolarHBondContact O-N 2.89Å; T189-Y192 VanDerWaalsContact O-N 3.13Å; A190-Y192 PolarHBondContact O-N 3.08Å; Y192-Q194 VanDerWaalsContact C-N 3.26Å; Y192-Q194 PolarHBondContact O-N 3.08Å; Y192-E222 WeakPolarHBondContact CD1-OE2 3.04Å; Y192-E222 VanDerWaalsContact O-OE2 3.12Å; Y192-Y294 VanDerWaalsContact CB-CZ 3.46Å; Y192-Y294 WeakPolarHBondContact CB-OH 3.21Å; Y192-Y294 HydrophobicContact CD1-CD1 4.17Å; Y192-Y294 AromaticContact CD1-CE1 3.8Å; Y192-Y294 HydrophobicContact CD1-CE1 3.8Å; Y192-Y294 AromaticContact CD2-CD1 3.99Å; Y192-Y294 HydrophobicContact CD2-CD1 3.99Å; Y192-Y294 AromaticContact CD2-CD2 3.66Å; Y192-Y294 HydrophobicContact CD2-CD2 3.66Å; Y192-Y294 HydrophobicContact CD2-CE1 4.1Å; Y192-Y294 AromaticContact CD2-CE2 3.75Å; Y192-Y294 HydrophobicContact CD2-CE2 3.75Å; Y192-Y294 AromaticContact CD2-CG 3.77Å; Y192-Y294 HydrophobicContact CD2-CG 3.77Å; Y192-Y294 AromaticContact CD2-CZ 3.98Å; Y192-Y294 HydrophobicContact CE1-CD1 4.2Å; Y192-Y294 HydrophobicContact CE1-CE1 4.23Å; Y192-Y294 HydrophobicContact CE2-CD1 4.04Å; Y192-Y294 HydrophobicContact CE2-CD2 4.17Å; Y192-Y294 AromaticContact CE2-CG 3.84Å; Y192-Y294 HydrophobicContact CE2-CG 3.84Å; Y192-Y294 HydrophobicContact CG-CD1 4.07Å; Y192-Y294 HydrophobicContact CG-CD2 4.14Å; Y192-Y294 AromaticContact CG-CE1 3.72Å; Y192-Y294 HydrophobicContact CG-CE1 3.72Å; Y192-Y294 AromaticContact CG-CE2 3.78Å; Y192-Y294 HydrophobicContact CG-CE2 3.78Å; Y192-Y294 HydrophobicContact CG-CG 4.25Å; Y192-Y294 AromaticContact CG-CZ 3.57Å; Y192-Q442 PolarHBondContact OH-NE2 3.01Å
193	F	79	Confident	67.6	Low	87 Å²	87	91.2 Å²	91.2	38%	0.382	47%	0.473	S	S	.	.	H	α-helix	trans	-75.1	-16.8	171.8	-75.9	-71.9	0	0	0	113	T189 A190 P195 C223 I226	T189-F193 HydrophobicContact CG2-CD2 4.12Å; T189-F193 HydrophobicContact CG2-CE2 3.54Å; T189-F193 HydrophobicContact CG2-CZ 4.45Å; T189-F193 WeakPolarHBondContact O-CD2 3.32Å; T189-F193 PolarHBondContact O-N 3.38Å; A190-F193 PolarHBondContact O-N 3.4Å; A190-F193 VanDerWaalsContact O-N 3.11Å; F193-P195 WeakPolarHBondContact O-CD 3.44Å; F193-C223 HydrophobicContact CD1-CB 3.92Å; F193-C223 HydrophobicContact CE1-CB 3.85Å; F193-I226 HydrophobicContact CD1-CD1 4.27Å; F193-I226 HydrophobicContact CD2-CD1 4.16Å; F193-I226 HydrophobicContact CE1-CD1 3.63Å; F193-I226 HydrophobicContact CE2-CD1 3.52Å; F193-I226 HydrophobicContact CZ-CB 4.22Å; F193-I226 HydrophobicContact CZ-CD1 3.21Å; F193-I226 HydrophobicContact CZ-CG1 4.35Å; F193-I226 HydrophobicContact CZ-CG2 4.07Å
194	Q	74.7	Confident	64.3	Low	144 Å²	144	87.9 Å²	87.9	67%	0.673	48%	0.475	S	S	*	.	S	Bend	trans	-63	123	-178.4	-167.6	168.5	8.3	0	0	109.8	A190 Y192 K196	A190-Q194 PolarHBondContact O-N 2.97Å; Y192-Q194 VanDerWaalsContact C-N 3.26Å; Y192-Q194 PolarHBondContact O-N 3.08Å; Q194-K196 PolarHBondContact O-N 3.14Å; Q194-K196 VanDerWaalsContact O-N 3.16Å
195	P	58.2	Low	61.1	Low	87 Å²	87	97 Å²	97	57%	0.565	51%	0.508	S	S	*	.			trans	-56.6	124.8	178.4	-23.3	32.3	0	0	0	109.7	F193 N197	F193-P195 WeakPolarHBondContact O-CD 3.44Å; P195-N197 PolarHBondContact O-N 3.22Å
196	K	54.6	Low	58	Low	174 Å²	174	101.4 Å²	101.4	76%	0.757	54%	0.539	S	S	*	.			trans	-73	60.3	171	-168	179.3	176.8	179.1	0	109.5	Q194 D198 A199	Q194-K196 PolarHBondContact O-N 3.14Å; Q194-K196 VanDerWaalsContact O-N 3.16Å; K196-D198 PolarHBondContact O-N 2.59Å; K196-A199 HydrophobicContact CD-CB 4.15Å; K196-A199 VanDerWaalsContact CE-CB 3.42Å; K196-A199 HydrophobicContact CG-CB 3.91Å
197	N	47	Very low	55.1	Low	125 Å²	125	104.3 Å²	104.3	67%	0.668	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-6.5	177.8	-81.4	0.4	0	0	0	112.9	P195	P195-N197 PolarHBondContact O-N 3.22Å
198	D	40.2	Very low	51.9	Low	126 Å²	126	109.9 Å²	109.9	67%	0.674	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	3.8	-173.6	-68.5	-26.6	0	0	0	115.5	K196	K196-D198 PolarHBondContact O-N 2.59Å
199	A	40.4	Very low	48.9	Very low	65 Å²	65	118.5 Å²	118.5	54%	0.537	61%	0.613	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.2	-8.5	179.4	0	0	0	0	0	114.8	K196	K196-A199 HydrophobicContact CD-CB 4.15Å; K196-A199 VanDerWaalsContact CE-CB 3.42Å; K196-A199 HydrophobicContact CG-CB 3.91Å
200	T	36.4	Very low	45.8	Very low	133 Å²	133	123.3 Å²	123.3	82%	0.816	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.2	8.6	177.3	52.7	0	0	0	0	114.1
201	K	26.4	Very low	42.9	Very low	157 Å²	157	127 Å²	127	68%	0.683	65%	0.654	S	S	*	*	S	Bend	trans	-124.1	16.1	-175.8	-124.7	-178.3	-174.8	-179	0	116.7
202	I	34.9	Very low	40.2	Very low	140 Å²	140	128.6 Å²	128.6	72%	0.718	67%	0.671	S	S	*	*	S	Bend	trans	-89.2	-13.4	170.4	-62	179.4	0	0	0	111.9	S204	I202-S204 PolarHBondContact O-N 3.35Å
203	E	31	Very low	38	Very low	185 Å²	185	132.6 Å²	132.6	86%	0.864	70%	0.701	S	S	*	*	S	Bend	trans	-103	62	172.8	-161.9	149.8	-152.7	0	0	111.5
204	S	27.6	Very low	35.8	Very low	93 Å²	93	131.8 Å²	131.8	65%	0.65	71%	0.71	S	S	*	*	S	Bend	trans	174	114.4	144.7	40	0	0	0	0	111.4	I202 S206	I202-S204 PolarHBondContact O-N 3.35Å; S204-S206 PolarHBondContact O-N 2.92Å
205	R	26.5	Very low	33.8	Very low	210 Å²	210	132.6 Å²	132.6	79%	0.792	72%	0.719	S	S	*	*			trans	-20.4	115.1	149.9	-176.3	179.2	-171.4	171.1	2.6	114.6
206	S	28.4	Very low	32.8	Very low	92 Å²	92	134 Å²	134	64%	0.643	73%	0.725	S	S	*	*			trans	138	120.9	135.7	63.3	0	0	0	0	112.7	S204 K208	S204-S206 PolarHBondContact O-N 2.92Å; S206-K208 PolarHBondContact O-N 3.4Å; S206-K208 VanDerWaalsContact O-N 3.13Å
207	P	33.1	Very low	32.3	Very low	135 Å²	135	132 Å²	132	88%	0.877	72%	0.723	S	S	*	*			trans	-83.1	93.5	-177.9	32.9	-30.3	0	0	0	109.3
208	K	24.6	Very low	32.1	Very low	175 Å²	175	131.8 Å²	131.8	76%	0.761	73%	0.727	S	S	*	*			trans	-101.5	103.7	158.8	-76	-174.7	179.3	179.4	0	108.6	S206 T210	S206-K208 PolarHBondContact O-N 3.4Å; S206-K208 VanDerWaalsContact O-N 3.13Å; K208-T210 PolarHBondContact O-N 3.42Å; K208-T210 PolarHBondContact O-OG1 3.42Å
209	F	26.5	Very low	32.7	Very low	185 Å²	185	129 Å²	129	81%	0.811	72%	0.715	S	S	*	*			trans	-47.1	103.8	163.9	179	-103.2	0	0	0	108.9	I211	F209-I211 HydrophobicContact CD1-CG1 4.31Å; F209-I211 HydrophobicContact CE1-CD1 3.72Å; F209-I211 HydrophobicContact CE1-CG1 3.56Å; F209-I211 HydrophobicContact CZ-CD1 4.16Å; F209-I211 HydrophobicContact CZ-CG1 3.79Å
210	T	25	Very low	34	Very low	110 Å²	110	127.9 Å²	127.9	68%	0.675	70%	0.704	S	S	*	*			trans	-113.9	109.2	171.4	-48.8	0	0	0	0	106.4	K208 S212	K208-T210 PolarHBondContact O-N 3.42Å; K208-T210 PolarHBondContact O-OG1 3.42Å; T210-S212 PolarHBondContact O-N 3.29Å
211	I	26.6	Very low	35.9	Very low	128 Å²	128	124.4 Å²	124.4	66%	0.656	69%	0.694	S	S	*	*			trans	-61.6	103.6	162.3	-62.7	167.8	0	0	0	105.3	F209	F209-I211 HydrophobicContact CD1-CG1 4.31Å; F209-I211 HydrophobicContact CE1-CD1 3.72Å; F209-I211 HydrophobicContact CE1-CG1 3.56Å; F209-I211 HydrophobicContact CZ-CD1 4.16Å; F209-I211 HydrophobicContact CZ-CG1 3.79Å
212	S	27.4	Very low	38.5	Very low	99 Å²	99	121.1 Å²	121.1	69%	0.692	68%	0.681	S	S	*	*			trans	-118.4	92.9	165.9	-152.2	0	0	0	0	107.7	T210 A214	T210-S212 PolarHBondContact O-N 3.29Å; S212-A214 VanDerWaalsContact C-N 3.34Å; S212-A214 PolarHBondContact O-N 3.47Å; S212-A214 VanDerWaalsContact O-N 3.16Å
213	T	29.8	Very low	40.8	Very low	134 Å²	134	115.9 Å²	115.9	82%	0.822	66%	0.657	S	S	*	*			trans	-61.6	95.8	152.2	40.9	0	0	0	0	108
214	A	32.6	Very low	43.4	Very low	70 Å²	70	111.5 Å²	111.5	58%	0.579	64%	0.638	S	S	*	*			trans	-142.5	91.2	163.6	0	0	0	0	0	108.2	S212 T216	S212-A214 VanDerWaalsContact C-N 3.34Å; S212-A214 PolarHBondContact O-N 3.47Å; S212-A214 VanDerWaalsContact O-N 3.16Å; A214-T216 PolarHBondContact O-N 3.23Å
215	L	33.1	Very low	46.4	Very low	162 Å²	162	110.7 Å²	110.7	85%	0.848	63%	0.626	S	S	*	*			trans	-66.3	75.6	170.4	-131.8	90.2	0	0	0	108.8
216	T	36	Very low	49.5	Very low	115 Å²	115	101.2 Å²	101.2	71%	0.706	59%	0.591	S	S	*	*			trans	-117.8	72.4	158.1	61.9	0	0	0	0	106.8	A214 T218	A214-T216 PolarHBondContact O-N 3.23Å; T216-T218 PolarHBondContact O-N 2.77Å
217	N	44.2	Very low	52.5	Low	133 Å²	133	102.8 Å²	102.8	71%	0.711	59%	0.592	S	S	*	*			trans	-66.9	71.5	172.6	-70.6	-16.7	0	0	0	108.8	P219	N217-P219 WeakPolarHBondContact O-CD 3.47Å
218	T	43.9	Very low	55.3	Low	121 Å²	121	98.9 Å²	98.9	74%	0.742	57%	0.571	S	S	*	*			trans	-66.5	112.9	161.5	-40.6	0	0	0	0	105.1	T216 S220	T216-T218 PolarHBondContact O-N 2.77Å; T218-S220 PolarHBondContact O-N 3.44Å
219	P	51.5	Low	58.6	Low	67 Å²	67	91.1 Å²	91.1	44%	0.435	54%	0.54	S	S	.	.			trans	-57.9	137.2	179.5	22.4	-30	0	0	0	108.1	N217 G221 C223 I224	N217-P219 WeakPolarHBondContact O-CD 3.47Å; P219-G221 PolarHBondContact O-N 3.48Å; P219-C223 HydrophobicContact CB-CB 4.02Å; P219-I224 HydrophobicContact CB-CG1 4.11Å; P219-I224 HydrophobicContact CG-CD1 4.03Å; P219-I224 HydrophobicContact CG-CG1 3.81Å
220	S	67.8	Low	61.8	Low	42 Å²	42	82.5 Å²	82.5	29%	0.294	50%	0.503	S	S	.	.			trans	-49.9	141.6	172.4	58	0	0	0	0	108.6	T218 E222 C223 I224	T218-S220 PolarHBondContact O-N 3.44Å; S220-E222 PolarHBondContact O-N 3.27Å; S220-C223 WeakPolarHBondContact O-CA 3.39Å; S220-C223 VanDerWaalsContact O-CB 3.31Å; S220-C223 WeakPolarHBondContact O-CB 3.44Å; S220-C223 PolarHBondContact O-N 3.34Å; S220-C223 WeakPolarHBondContact OG-CB 3.44Å; S220-C223 PolarHBondContact OG-N 3.11Å; S220-I224 PolarHBondContact O-N 3.26Å
221	G	77.2	Confident	65.1	Low	60 Å²	60	84.1 Å²	84.1	62%	0.619	50%	0.501	S	S	*	.	H	α-helix	trans	-53.8	-25.4	177.9	0	0	0	0	0	112.6	P219 L225	P219-G221 PolarHBondContact O-N 3.48Å; G221-L225 PolarHBondContact O-N 2.93Å; G221-L225 VanDerWaalsContact O-N 3.16Å
222	E	80	Confident	68.4	Low	88 Å²	88	83.5 Å²	83.5	41%	0.411	49%	0.494	S	S	.	.	H	α-helix	trans	-64.1	-44.5	170.8	-69.2	-177.2	-160.3	0	0	113.4	Y192 S220 I224 L225 I226 Y294	Y192-E222 WeakPolarHBondContact CD1-OE2 3.04Å; Y192-E222 VanDerWaalsContact O-OE2 3.12Å; S220-E222 PolarHBondContact O-N 3.27Å; E222-I224 PolarHBondContact O-N 3.43Å; E222-L225 WeakPolarHBondContact O-CB 3.27Å; E222-L225 PolarHBondContact O-N 3.34Å; E222-I226 WeakPolarHBondContact O-CG1 3.34Å; E222-I226 PolarHBondContact O-N 2.94Å; E222-Y294 WeakPolarHBondContact CB-OH 3.46Å; E222-Y294 PolarHBondContact O-OH 3.25Å
223	C	83.2	Confident	71.7	Confident	30 Å²	30	78.9 Å²	78.9	20%	0.203	46%	0.461	C	S	.	.	H	α-helix	trans	-61.9	-42	174.1	176.8	0	0	0	0	112.1	F193 P219 S220 L225 I226 L227	F193-C223 HydrophobicContact CD1-CB 3.92Å; F193-C223 HydrophobicContact CE1-CB 3.85Å; P219-C223 HydrophobicContact CB-CB 4.02Å; S220-C223 WeakPolarHBondContact O-CA 3.39Å; S220-C223 VanDerWaalsContact O-CB 3.31Å; S220-C223 WeakPolarHBondContact O-CB 3.44Å; S220-C223 PolarHBondContact O-N 3.34Å; S220-C223 WeakPolarHBondContact OG-CB 3.44Å; S220-C223 PolarHBondContact OG-N 3.11Å; C223-L225 VanDerWaalsContact C-N 3.3Å; C223-L225 PolarHBondContact O-N 3.1Å; C223-I226 PolarHBondContact O-N 3Å; C223-L227 WeakPolarHBondContact O-CB 3.21Å; C223-L227 PolarHBondContact O-N 3.31Å
224	I	87	Confident	74.9	Confident	92 Å²	92	75 Å²	75	47%	0.472	44%	0.435	S	S	.	.	H	α-helix	trans	-63.1	-40.9	178.9	-58.8	174	0	0	0	110.1	P219 S220 E222 I226 L227 A228	P219-I224 HydrophobicContact CB-CG1 4.11Å; P219-I224 HydrophobicContact CG-CD1 4.03Å; P219-I224 HydrophobicContact CG-CG1 3.81Å; S220-I224 PolarHBondContact O-N 3.26Å; E222-I224 PolarHBondContact O-N 3.43Å; I224-I226 PolarHBondContact O-N 3.24Å; I224-L227 PolarHBondContact O-N 3.29Å; I224-A228 VanDerWaalsContact O-CB 3.25Å; I224-A228 WeakPolarHBondContact O-CB 3.36Å; I224-A228 PolarHBondContact O-N 3.45Å
225	L	89.5	Confident	77.9	Confident	77 Å²	77	75.1 Å²	75.1	40%	0.403	43%	0.428	S	S	.	.	H	α-helix	trans	-59.8	-46.2	177.6	-178.8	68.7	0	0	0	112.1	G221 E222 C223 A229 V293 I297	G221-L225 PolarHBondContact O-N 2.93Å; G221-L225 VanDerWaalsContact O-N 3.16Å; E222-L225 WeakPolarHBondContact O-CB 3.27Å; E222-L225 PolarHBondContact O-N 3.34Å; C223-L225 VanDerWaalsContact C-N 3.3Å; C223-L225 PolarHBondContact O-N 3.1Å; L225-A229 VanDerWaalsContact O-CB 3.22Å; L225-A229 WeakPolarHBondContact O-CB 3.15Å; L225-A229 PolarHBondContact O-N 2.94Å; L225-V293 HydrophobicContact CD2-CG1 4.28Å; L225-V293 HydrophobicContact CG-CG1 4.28Å; L225-I297 HydrophobicContact CD2-CD1 3.86Å
226	I	91.3	Very high	80.9	Confident	10 Å²	10	68.2 Å²	68.2	5%	0.051	39%	0.394	C	S	.	.	H	α-helix	trans	-65.9	-42.3	179.7	-57.6	157.5	0	0	0	110.8	T189 F193 E222 C223 I224 A229 G230 Y294	T189-I226 HydrophobicContact CG2-CD1 3.91Å; F193-I226 HydrophobicContact CD1-CD1 4.27Å; F193-I226 HydrophobicContact CD2-CD1 4.16Å; F193-I226 HydrophobicContact CE1-CD1 3.63Å; F193-I226 HydrophobicContact CE2-CD1 3.52Å; F193-I226 HydrophobicContact CZ-CB 4.22Å; F193-I226 HydrophobicContact CZ-CD1 3.21Å; F193-I226 HydrophobicContact CZ-CG1 4.35Å; F193-I226 HydrophobicContact CZ-CG2 4.07Å; E222-I226 WeakPolarHBondContact O-CG1 3.34Å; E222-I226 PolarHBondContact O-N 2.94Å; C223-I226 PolarHBondContact O-N 3Å; I224-I226 PolarHBondContact O-N 3.24Å; I226-A229 PolarHBondContact O-N 3.48Å; I226-G230 PolarHBondContact O-N 3.38Å; I226-Y294 HydrophobicContact CD1-CE2 3.43Å; I226-Y294 VanDerWaalsContact CD1-CE2 3.43Å; I226-Y294 WeakPolarHBondContact CD1-OH 3.34Å; I226-Y294 HydrophobicContact CG1-CE2 3.56Å
227	L	91.2	Very high	83.8	Confident	125 Å²	125	62.7 Å²	62.7	65%	0.654	36%	0.361	S	S	*	.	H	α-helix	trans	-67.4	-43	-179.6	-173.4	143.6	0	0	0	111.3	C223 I224 G230 F231	C223-L227 WeakPolarHBondContact O-CB 3.21Å; C223-L227 PolarHBondContact O-N 3.31Å; I224-L227 PolarHBondContact O-N 3.29Å; L227-G230 PolarHBondContact O-N 2.66Å; L227-F231 PolarHBondContact O-N 3.38Å
228	A	92.8	Very high	86.2	Confident	54 Å²	54	59 Å²	59	45%	0.446	34%	0.343	S	S	.	.	H	α-helix	trans	-63.5	-45	175.3	0	0	0	0	0	111.7	I224 F231 F232	I224-A228 VanDerWaalsContact O-CB 3.25Å; I224-A228 WeakPolarHBondContact O-CB 3.36Å; I224-A228 PolarHBondContact O-N 3.45Å; A228-F231 PolarHBondContact O-N 3.46Å; A228-F232 PolarHBondContact O-N 3.44Å
229	A	92.9	Very high	88.6	Confident	12 Å²	12	57.7 Å²	57.7	10%	0.099	33%	0.331	C	S	.	.	H	α-helix	trans	-63.6	-40.8	175.3	0	0	0	0	0	112.2	L225 I226 F232 F233 V293 M557	L225-A229 VanDerWaalsContact O-CB 3.22Å; L225-A229 WeakPolarHBondContact O-CB 3.15Å; L225-A229 PolarHBondContact O-N 2.94Å; I226-A229 PolarHBondContact O-N 3.48Å; A229-F232 PolarHBondContact O-N 2.88Å; A229-F233 WeakPolarHBondContact O-CB 3.45Å; A229-F233 WeakPolarHBondContact O-CD2 3.36Å; A229-F233 WeakPolarHBondContact O-CG 3.43Å; A229-F233 PolarHBondContact O-N 3.27Å; A229-V293 HydrophobicContact CB-CG2 3.48Å; A229-V293 VanDerWaalsContact CB-CG2 3.48Å; A229-M557 HydrophobicContact CB-CE 3.79Å
230	G	94.2	Very high	90.7	Very high	4 Å²	4	56.9 Å²	56.9	4%	0.041	32%	0.321	C	S	.	.	H	α-helix	trans	-61.2	-45.2	175.3	0	0	0	0	0	112.2	I226 L227 F232 F233 L234 C286 S290	I226-G230 PolarHBondContact O-N 3.38Å; L227-G230 PolarHBondContact O-N 2.66Å; G230-F232 PolarHBondContact O-N 2.9Å; G230-F233 PolarHBondContact O-N 3.32Å; G230-L234 PolarHBondContact O-N 3.34Å; G230-C286 PolarHBondContact O-SG 2.99Å; G230-S290 WeakPolarHBondContact CA-OG 3.45Å
231	F	95.6	Very high	91.9	Very high	144 Å²	144	55 Å²	55	63%	0.632	31%	0.307	S	S	*	.	H	α-helix	trans	-60.6	-45.9	174.7	-179.9	-100.7	0	0	0	112.1	L227 A228 F233 L234 V235	L227-F231 PolarHBondContact O-N 3.38Å; A228-F231 PolarHBondContact O-N 3.46Å; F231-F233 VanDerWaalsContact C-N 3.29Å; F231-F233 PolarHBondContact O-N 2.88Å; F231-L234 WeakPolarHBondContact O-CB 3.41Å; F231-L234 PolarHBondContact O-N 2.92Å; F231-V235 HydrophobicContact CE1-CG2 4.07Å; F231-V235 HydrophobicContact CE2-CG2 4.37Å; F231-V235 HydrophobicContact CZ-CG2 3.98Å; F231-V235 WeakPolarHBondContact O-CG2 3.49Å; F231-V235 PolarHBondContact O-N 3Å; F231-V235 VanDerWaalsContact O-N 3.08Å
232	F	95.5	Very high	92.6	Very high	115 Å²	115	56.1 Å²	56.1	50%	0.504	31%	0.306	S	S	.	.	H	α-helix	trans	-58.5	-42.7	175.2	177.4	-91.2	0	0	0	111.7	A228 A229 G230 V235 A236 L556	A228-F232 PolarHBondContact O-N 3.44Å; A229-F232 PolarHBondContact O-N 2.88Å; G230-F232 PolarHBondContact O-N 2.9Å; F232-V235 PolarHBondContact O-N 2.73Å; F232-A236 HydrophobicContact CE1-CB 4.41Å; F232-A236 WeakPolarHBondContact O-CB 3.18Å; F232-A236 PolarHBondContact O-N 2.93Å; F232-L556 HydrophobicContact CE1-CD2 3.79Å
233	F	96	Very high	93.2	Very high	1 Å²	1	54.6 Å²	54.6	0%	0.004	30%	0.3	C	S	.	.	H	α-helix	trans	-67.7	-35.3	177.2	-80.8	-47.7	0	0	0	113.9	A229 G230 F231 A237 G289 V293 W549 L556 M557	A229-F233 WeakPolarHBondContact O-CB 3.45Å; A229-F233 WeakPolarHBondContact O-CD2 3.36Å; A229-F233 WeakPolarHBondContact O-CG 3.43Å; A229-F233 PolarHBondContact O-N 3.27Å; G230-F233 PolarHBondContact O-N 3.32Å; F231-F233 VanDerWaalsContact C-N 3.29Å; F231-F233 PolarHBondContact O-N 2.88Å; F233-A237 WeakPolarHBondContact O-CB 3.36Å; F233-A237 PolarHBondContact O-N 3.29Å; F233-G289 VanDerWaalsContact CD2-C 3.42Å; F233-G289 WeakPolarHBondContact CE2-O 3.11Å; F233-V293 HydrophobicContact CE2-CG2 4.49Å; F233-W549 HydrophobicContact CB-CZ2 3.98Å; F233-W549 AromaticContact CD1-CH2 3.96Å; F233-W549 HydrophobicContact CD1-CH2 3.96Å; F233-W549 AromaticContact CD1-CZ2 3.66Å; F233-W549 HydrophobicContact CD1-CZ2 3.66Å; F233-W549 HydrophobicContact CE1-CZ2 4.49Å; F233-W549 HydrophobicContact CG-CZ2 4.15Å; F233-W549 WeakPolarHBondContact O-CH2 3.19Å; F233-W549 WeakPolarHBondContact O-CZ2 3.11Å; F233-L556 HydrophobicContact CE1-CD2 4.04Å; F233-M557 HydrophobicContact CD2-CE 4.15Å; F233-M557 HydrophobicContact CE1-CE 4.32Å; F233-M557 HydrophobicContact CE2-CE 3.22Å; F233-M557 HydrophobicContact CE2-CG 3.93Å; F233-M557 HydrophobicContact CE2-SD 4.34Å; F233-M557 HydrophobicContact CZ-CE 3.34Å; F233-M557 HydrophobicContact CZ-CG 3.56Å; F233-M557 HydrophobicContact CZ-SD 4.29Å
234	L	96.6	Very high	93.4	Very high	52 Å²	52	54.4 Å²	54.4	27%	0.272	30%	0.297	S	S	.	.	H	α-helix	trans	-60	-51.4	173	-171.4	162.4	0	0	0	110	G230 F231 A236 A237 T238 C286	G230-L234 PolarHBondContact O-N 3.34Å; F231-L234 WeakPolarHBondContact O-CB 3.41Å; F231-L234 PolarHBondContact O-N 2.92Å; L234-A236 PolarHBondContact O-N 3.46Å; L234-A237 PolarHBondContact O-N 3.02Å; L234-T238 PolarHBondContact O-N 3.35Å; L234-T238 PolarHBondContact O-OG1 3.4Å; L234-T238 VanDerWaalsContact O-OG1 3.08Å; L234-C286 HydrophobicContact CB-CB 3.99Å; L234-C286 HydrophobicContact CG-CB 4.45Å
235	V	96.6	Very high	93.3	Very high	73 Å²	73	52.7 Å²	52.7	44%	0.442	30%	0.302	S	S	.	.	H	α-helix	trans	-61.8	-46.5	179.6	175.6	0	0	0	0	111.1	F231 F232 A237 T238 L239	F231-V235 HydrophobicContact CE1-CG2 4.07Å; F231-V235 HydrophobicContact CE2-CG2 4.37Å; F231-V235 HydrophobicContact CZ-CG2 3.98Å; F231-V235 WeakPolarHBondContact O-CG2 3.49Å; F231-V235 PolarHBondContact O-N 3Å; F231-V235 VanDerWaalsContact O-N 3.08Å; F232-V235 PolarHBondContact O-N 2.73Å; V235-A237 PolarHBondContact O-N 3.46Å; V235-T238 PolarHBondContact O-N 2.64Å; V235-L239 WeakPolarHBondContact O-CB 3.35Å; V235-L239 PolarHBondContact O-N 2.86Å
236	A	95.7	Very high	93.3	Very high	17 Å²	17	53.7 Å²	53.7	14%	0.14	31%	0.311	C	S	.	.	H	α-helix	trans	-62.1	-42.5	177.5	0	0	0	0	0	112	F232 L234 L239 F240 W549	F232-A236 HydrophobicContact CE1-CB 4.41Å; F232-A236 WeakPolarHBondContact O-CB 3.18Å; F232-A236 PolarHBondContact O-N 2.93Å; L234-A236 PolarHBondContact O-N 3.46Å; A236-L239 PolarHBondContact O-N 2.95Å; A236-F240 WeakPolarHBondContact O-CD2 3.02Å; A236-F240 PolarHBondContact O-N 3.33Å; A236-W549 HydrophobicContact CB-CH2 3.95Å; A236-W549 HydrophobicContact CB-CZ3 4.47Å
237	A	96.2	Very high	93.2	Very high	0 Å²	0	56 Å²	56	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-62.9	-45.9	177.3	0	0	0	0	0	111.5	F233 L234 V235 L239 F240 L241 A282 A285 W549	F233-A237 WeakPolarHBondContact O-CB 3.36Å; F233-A237 PolarHBondContact O-N 3.29Å; L234-A237 PolarHBondContact O-N 3.02Å; V235-A237 PolarHBondContact O-N 3.46Å; A237-L239 VanDerWaalsContact C-N 3.3Å; A237-L239 PolarHBondContact O-N 3.38Å; A237-F240 PolarHBondContact O-N 2.92Å; A237-L241 WeakPolarHBondContact O-CB 3.45Å; A237-L241 WeakPolarHBondContact O-CG 3.41Å; A237-L241 PolarHBondContact O-N 3.23Å; A237-A282 HydrophobicContact CB-CB 4.36Å; A237-A285 HydrophobicContact CB-CB 3.62Å; A237-W549 HydrophobicContact CB-CE3 4.41Å; A237-W549 HydrophobicContact CB-CH2 3.65Å; A237-W549 HydrophobicContact CB-CZ2 3.83Å; A237-W549 HydrophobicContact CB-CZ3 3.98Å
238	T	95.1	Very high	93.2	Very high	54 Å²	54	50.1 Å²	50.1	33%	0.331	29%	0.293	S	S	.	.	H	α-helix	trans	-58.4	-43.6	175.2	-57.9	0	0	0	0	111.2	L234 V235 L241 S242	L234-T238 PolarHBondContact O-N 3.35Å; L234-T238 PolarHBondContact O-OG1 3.4Å; L234-T238 VanDerWaalsContact O-OG1 3.08Å; V235-T238 PolarHBondContact O-N 2.64Å; T238-L241 PolarHBondContact O-N 3.49Å; T238-S242 PolarHBondContact O-N 3.07Å; T238-S242 PolarHBondContact O-OG 3.47Å; T238-S242 VanDerWaalsContact O-OG 3.06Å
239	L	95	Very high	92.9	Very high	94 Å²	94	50.3 Å²	50.3	49%	0.492	29%	0.286	S	S	.	.	H	α-helix	trans	-61.4	-48.8	177.4	-179.5	142.4	0	0	0	112.2	V235 A236 A237 L241 S242 L243	V235-L239 WeakPolarHBondContact O-CB 3.35Å; V235-L239 PolarHBondContact O-N 2.86Å; A236-L239 PolarHBondContact O-N 2.95Å; A237-L239 VanDerWaalsContact C-N 3.3Å; A237-L239 PolarHBondContact O-N 3.38Å; L239-L241 PolarHBondContact O-N 3.27Å; L239-S242 PolarHBondContact O-N 3.35Å; L239-L243 HydrophobicContact CD2-CD1 3.7Å; L239-L243 HydrophobicContact CG-CD1 4.29Å; L239-L243 VanDerWaalsContact O-CG 3.32Å; L239-L243 WeakPolarHBondContact O-CG 3.21Å; L239-L243 PolarHBondContact O-N 3.47Å
240	F	94.7	Very high	92.8	Very high	51 Å²	51	50 Å²	50	22%	0.224	28%	0.282	C	S	.	.	H	α-helix	trans	-68.6	-33.5	179.8	-76.3	-67	0	0	0	113.3	A236 A237 L243 D244 L247 V248 W548 W549	A236-F240 WeakPolarHBondContact O-CD2 3.02Å; A236-F240 PolarHBondContact O-N 3.33Å; A237-F240 PolarHBondContact O-N 2.92Å; F240-L243 PolarHBondContact O-N 3.46Å; F240-D244 PolarHBondContact O-N 3.48Å; F240-L247 HydrophobicContact CE1-CD2 4.46Å; F240-V248 HydrophobicContact CD1-CG2 4.35Å; F240-W548 HydrophobicContact CB-CH2 4.05Å; F240-W548 HydrophobicContact CB-CZ3 3.93Å; F240-W548 AromaticContact CD1-CH2 3.5Å; F240-W548 HydrophobicContact CD1-CH2 3.5Å; F240-W548 VanDerWaalsContact CD1-CH2 3.5Å; F240-W548 HydrophobicContact CD1-CZ2 4.28Å; F240-W548 HydrophobicContact CD1-CZ3 4.26Å; F240-W548 AromaticContact CD2-CH2 3.75Å; F240-W548 HydrophobicContact CD2-CH2 3.75Å; F240-W548 HydrophobicContact CD2-CZ3 4.11Å; F240-W548 AromaticContact CE1-CH2 3.77Å; F240-W548 HydrophobicContact CE1-CH2 3.77Å; F240-W548 HydrophobicContact CE1-CZ2 4.3Å; F240-W548 HydrophobicContact CE2-CH2 4.01Å; F240-W548 AromaticContact CG-CH2 3.49Å; F240-W548 HydrophobicContact CG-CH2 3.49Å; F240-W548 VanDerWaalsContact CG-CH2 3.49Å; F240-W548 AromaticContact CG-CZ3 3.85Å; F240-W548 HydrophobicContact CG-CZ3 3.85Å; F240-W548 HydrophobicContact CZ-CH2 4.02Å; F240-W549 HydrophobicContact CD2-CZ3 4.03Å
241	L	94.4	Very high	92.4	Very high	1 Å²	1	51 Å²	51	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-64.9	-40.8	172.7	-72.5	167.1	0	0	0	111.3	A237 T238 L239 L243 D244 L252 L281 A282 F545	A237-L241 WeakPolarHBondContact O-CB 3.45Å; A237-L241 WeakPolarHBondContact O-CG 3.41Å; A237-L241 PolarHBondContact O-N 3.23Å; T238-L241 PolarHBondContact O-N 3.49Å; L239-L241 PolarHBondContact O-N 3.27Å; L241-L243 PolarHBondContact O-N 2.97Å; L241-D244 WeakPolarHBondContact O-CB 3.5Å; L241-D244 PolarHBondContact O-N 2.83Å; L241-L252 HydrophobicContact CD2-CD1 3.48Å; L241-L252 VanDerWaalsContact CD2-CD1 3.48Å; L241-L281 HydrophobicContact CD1-CB 3.85Å; L241-L281 HydrophobicContact CD2-CB 4.32Å; L241-L281 HydrophobicContact CD2-CD1 4.14Å; L241-A282 HydrophobicContact CD1-CB 4.06Å; L241-F545 HydrophobicContact CD1-CE2 4.4Å; L241-F545 HydrophobicContact CD1-CZ 4.04Å; L241-F545 HydrophobicContact CD2-CD1 4.14Å; L241-F545 HydrophobicContact CD2-CD2 3.57Å; L241-F545 HydrophobicContact CD2-CE1 4.08Å; L241-F545 HydrophobicContact CD2-CE2 3.51Å; L241-F545 HydrophobicContact CD2-CG 3.88Å; L241-F545 HydrophobicContact CD2-CZ 3.78Å; L241-F545 HydrophobicContact CG-CD2 4.27Å; L241-F545 HydrophobicContact CG-CE2 3.72Å; L241-F545 HydrophobicContact CG-CZ 3.87Å
242	S	92.1	Very high	92.2	Very high	84 Å²	84	44.2 Å²	44.2	59%	0.587	26%	0.264	S	S	*	.	H	α-helix	trans	-66.8	-20	175.2	-63.1	0	0	0	0	113.9	T238 L239	T238-S242 PolarHBondContact O-N 3.07Å; T238-S242 PolarHBondContact O-OG 3.47Å; T238-S242 VanDerWaalsContact O-OG 3.06Å; L239-S242 PolarHBondContact O-N 3.35Å
243	L	90.7	Very high	91.8	Very high	57 Å²	57	44.5 Å²	44.5	30%	0.298	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	9.9	177	-64.2	173.4	0	0	0	113.3	L239 F240 L241 T246 L247 V248	L239-L243 HydrophobicContact CD2-CD1 3.7Å; L239-L243 HydrophobicContact CG-CD1 4.29Å; L239-L243 VanDerWaalsContact O-CG 3.32Å; L239-L243 WeakPolarHBondContact O-CG 3.21Å; L239-L243 PolarHBondContact O-N 3.47Å; F240-L243 PolarHBondContact O-N 3.46Å; L241-L243 PolarHBondContact O-N 2.97Å; L243-T246 PolarHBondContact O-N 3Å; L243-T246 PolarHBondContact O-OG1 2.9Å; L243-L247 HydrophobicContact CB-CB 4.04Å; L243-L247 HydrophobicContact CD1-CD2 3.9Å; L243-L247 PolarHBondContact O-N 3.45Å; L243-V248 PolarHBondContact O-N 2.85Å
244	D	89.4	Confident	91.4	Very high	26 Å²	26	47 Å²	47	14%	0.139	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-59.5	138.4	172.9	-175.1	49.1	0	0	0	111.4	F240 L241 T246 F250 G251 L252	F240-D244 PolarHBondContact O-N 3.48Å; L241-D244 WeakPolarHBondContact O-CB 3.5Å; L241-D244 PolarHBondContact O-N 2.83Å; D244-T246 PolarHBondContact O-N 3.44Å; D244-F250 HydrophobicContact CB-CD2 4.21Å; D244-F250 VanDerWaalsContact OD1-CB 3.31Å; D244-F250 WeakPolarHBondContact OD1-CB 3.19Å; D244-F250 WeakPolarHBondContact OD1-CD2 3.39Å; D244-F250 PolarHBondContact OD1-N 3.2Å; D244-G251 PolarHBondContact OD1-N 3.3Å; D244-L252 HydrophobicContact CB-CD1 3.9Å; D244-L252 WeakPolarHBondContact OD2-CA 3.49Å; D244-L252 WeakPolarHBondContact OD2-CB 3.48Å; D244-L252 PolarHBondContact OD2-N 3.06Å
245	G	84.9	Confident	90.9	Very high	55 Å²	55	44.5 Å²	44.5	57%	0.567	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	-11.9	-177.1	0	0	0	0	0	115.4	V248	G245-V248 PolarHBondContact N-O 3.49Å
246	T	87.9	Confident	90.6	Very high	99 Å²	99	42.5 Å²	42.5	61%	0.607	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	-55.6	177.1	55.1	0	0	0	0	111.6	L243 D244	L243-T246 PolarHBondContact O-N 3Å; L243-T246 PolarHBondContact O-OG1 2.9Å; D244-T246 PolarHBondContact O-N 3.44Å
247	L	89	Confident	90.1	Very high	59 Å²	59	42.3 Å²	42.3	31%	0.309	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-39.4	179.1	-177.1	65.6	0	0	0	111.6	F240 L243 L335 I336 P337	F240-L247 HydrophobicContact CE1-CD2 4.46Å; L243-L247 HydrophobicContact CB-CB 4.04Å; L243-L247 HydrophobicContact CD1-CD2 3.9Å; L243-L247 PolarHBondContact O-N 3.45Å; L247-L335 HydrophobicContact CG-CD2 4.25Å; L247-L335 CarbonylContact O-C 3.58Å; L247-L335 WeakPolarHBondContact O-CA 3.36Å; L247-I336 PolarHBondContact O-N 2.83Å; L247-P337 HydrophobicContact CD1-CG 3.89Å; L247-P337 WeakPolarHBondContact O-CD 3.38Å
248	V	91.1	Very high	89.5	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-124.2	140.6	-174.1	-157.4	0	0	0	0	110.2	F240 L243 G245 F250 W334 L335	F240-V248 HydrophobicContact CD1-CG2 4.35Å; L243-V248 PolarHBondContact O-N 2.85Å; G245-V248 PolarHBondContact N-O 3.49Å; V248-F250 HydrophobicContact CB-CD2 4.22Å; V248-F250 HydrophobicContact CB-CE1 4.36Å; V248-F250 HydrophobicContact CB-CE2 3.67Å; V248-F250 HydrophobicContact CB-CZ 3.78Å; V248-F250 HydrophobicContact CG1-CD1 4.04Å; V248-F250 HydrophobicContact CG1-CD2 4.21Å; V248-F250 HydrophobicContact CG1-CE1 3.41Å; V248-F250 VanDerWaalsContact CG1-CE1 3.41Å; V248-F250 HydrophobicContact CG1-CE2 3.63Å; V248-F250 HydrophobicContact CG1-CG 4.41Å; V248-F250 HydrophobicContact CG1-CZ 3.2Å; V248-F250 HydrophobicContact CG2-CE2 4.28Å; V248-F250 HydrophobicContact CG2-CZ 4.3Å; V248-W334 HydrophobicContact CG1-CB 4.16Å; V248-W334 WeakPolarHBondContact CG1-O 3.24Å; V248-L335 HydrophobicContact CG1-CD2 4.37Å; V248-L335 HydrophobicContact CG2-CD2 3.79Å
249	D	88	Confident	88.9	Confident	58 Å²	58	44.7 Å²	44.7	31%	0.31	27%	0.269	S	S	.	.			trans	-102.7	84.9	-179.5	171.9	36	0	0	0	110.6	W334 I336 R380	D249-W334 PolarHBondContact N-O 2.91Å; D249-W334 VanDerWaalsContact O-CZ3 3.26Å; D249-W334 WeakPolarHBondContact O-CZ3 3.32Å; D249-I336 HydrophobicContact CB-CD1 4.02Å; D249-I336 HydrophobicContact CB-CG1 3.64Å; D249-R380 IonicContact OD2-CZ 3.85Å; D249-R380 IonicContact OD2-NH1 2.73Å; D249-R380 PolarHBondContact OD2-NH1 3.41Å; D249-R380 IonicContact OD2-NH2 3.52Å; D249-R380 PolarHBondContact OD2-NH2 2.86Å
250	F	89.9	Confident	88.1	Confident	5 Å²	5	41.2 Å²	41.2	2%	0.022	25%	0.252	C	S	.	.			trans	-95.4	-35.4	170.8	-53.9	-57.2	0	0	0	111.9	D244 V248 L252 W334 G541 F545 W548	D244-F250 HydrophobicContact CB-CD2 4.21Å; D244-F250 VanDerWaalsContact OD1-CB 3.31Å; D244-F250 WeakPolarHBondContact OD1-CB 3.19Å; D244-F250 WeakPolarHBondContact OD1-CD2 3.39Å; D244-F250 PolarHBondContact OD1-N 3.2Å; V248-F250 HydrophobicContact CB-CD2 4.22Å; V248-F250 HydrophobicContact CB-CE1 4.36Å; V248-F250 HydrophobicContact CB-CE2 3.67Å; V248-F250 HydrophobicContact CB-CZ 3.78Å; V248-F250 HydrophobicContact CG1-CD1 4.04Å; V248-F250 HydrophobicContact CG1-CD2 4.21Å; V248-F250 HydrophobicContact CG1-CE1 3.41Å; V248-F250 VanDerWaalsContact CG1-CE1 3.41Å; V248-F250 HydrophobicContact CG1-CE2 3.63Å; V248-F250 HydrophobicContact CG1-CG 4.41Å; V248-F250 HydrophobicContact CG1-CZ 3.2Å; V248-F250 HydrophobicContact CG2-CE2 4.28Å; V248-F250 HydrophobicContact CG2-CZ 4.3Å; F250-L252 HydrophobicContact CB-CD1 3.99Å; F250-L252 HydrophobicContact CB-CG 3.88Å; F250-L252 HydrophobicContact CD2-CD1 3.75Å; F250-L252 HydrophobicContact CG-CD1 4.25Å; F250-W334 AromaticContact CD1-CE3 3.96Å; F250-W334 HydrophobicContact CD1-CE3 3.96Å; F250-W334 HydrophobicContact CD1-CZ3 4.06Å; F250-W334 HydrophobicContact CE1-CE3 4.27Å; F250-G541 WeakPolarHBondContact O-CA 3.49Å; F250-F545 HydrophobicContact CD1-CB 4.19Å; F250-F545 HydrophobicContact CD2-CD2 4.36Å; F250-F545 HydrophobicContact CE1-CD2 4.42Å; F250-F545 AromaticContact CE2-CD2 3.98Å; F250-F545 HydrophobicContact CE2-CD2 3.98Å; F250-F545 HydrophobicContact CG-CB 4.19Å; F250-F545 AromaticContact CZ-CD2 3.99Å; F250-F545 HydrophobicContact CZ-CD2 3.99Å; F250-W548 HydrophobicContact CE1-CB 3.66Å; F250-W548 AromaticContact CE1-CD2 3.79Å; F250-W548 HydrophobicContact CE1-CD2 3.79Å; F250-W548 AromaticContact CE1-CE3 3.91Å; F250-W548 HydrophobicContact CE1-CE3 3.91Å; F250-W548 AromaticContact CE1-CG 3.69Å; F250-W548 HydrophobicContact CE1-CG 3.69Å; F250-W548 HydrophobicContact CZ-CB 4.42Å; F250-W548 AromaticContact CZ-CD2 3.69Å; F250-W548 HydrophobicContact CZ-CD2 3.69Å; F250-W548 AromaticContact CZ-CE3 3.46Å; F250-W548 HydrophobicContact CZ-CE3 3.46Å; F250-W548 VanDerWaalsContact CZ-CE3 3.46Å; F250-W548 HydrophobicContact CZ-CG 4.12Å; F250-W548 AromaticContact CZ-CZ3 3.98Å; F250-W548 HydrophobicContact CZ-CZ3 3.98Å
251	G	86.5	Confident	86.7	Confident	27 Å²	27	47 Å²	47	28%	0.278	28%	0.278	S	S	.	.			trans	80	36	-172.4	0	0	0	0	0	112.7	D244 Q253 A254 A255	D244-G251 PolarHBondContact OD1-N 3.3Å; G251-Q253 VanDerWaalsContact C-N 3.32Å; G251-A254 PolarHBondContact O-N 2.68Å; G251-A255 PolarHBondContact O-N 2.97Å
252	L	90.2	Very high	85	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-69.3	-31.6	179.8	-68.5	155.2	0	0	0	111.8	L241 D244 F250 A254 A255 Y256 F277 L281 F545	L241-L252 HydrophobicContact CD2-CD1 3.48Å; L241-L252 VanDerWaalsContact CD2-CD1 3.48Å; D244-L252 HydrophobicContact CB-CD1 3.9Å; D244-L252 WeakPolarHBondContact OD2-CA 3.49Å; D244-L252 WeakPolarHBondContact OD2-CB 3.48Å; D244-L252 PolarHBondContact OD2-N 3.06Å; F250-L252 HydrophobicContact CB-CD1 3.99Å; F250-L252 HydrophobicContact CB-CG 3.88Å; F250-L252 HydrophobicContact CD2-CD1 3.75Å; F250-L252 HydrophobicContact CG-CD1 4.25Å; L252-A254 VanDerWaalsContact C-N 3.32Å; L252-A254 PolarHBondContact O-N 3.48Å; L252-A255 WeakPolarHBondContact O-CB 3.34Å; L252-A255 PolarHBondContact O-N 3.17Å; L252-Y256 PolarHBondContact O-N 3.43Å; L252-F277 HydrophobicContact CB-CE1 4.21Å; L252-F277 HydrophobicContact CD2-CE1 3.85Å; L252-F277 HydrophobicContact CD2-CZ 3.95Å; L252-L281 HydrophobicContact CD2-CD1 3.63Å; L252-F545 HydrophobicContact CD2-CB 4.5Å
253	Q	88.3	Confident	83.3	Confident	122 Å²	122	49.7 Å²	49.7	57%	0.57	29%	0.286	S	S	*	.	H	α-helix	trans	-60	-42.8	175.1	-173.7	65.7	3.9	0	0	111.9	G251 G257 W274	G251-Q253 VanDerWaalsContact C-N 3.32Å; Q253-G257 PolarHBondContact O-N 3.01Å; Q253-W274 HydrophobicContact CB-CH2 4.37Å
254	A	86.3	Confident	81.2	Confident	53 Å²	53	54.6 Å²	54.6	44%	0.438	31%	0.305	S	S	.	.	H	α-helix	trans	-67.7	-38.9	176.2	0	0	0	0	0	111.7	G251 L252 N258 I537	G251-A254 PolarHBondContact O-N 2.68Å; L252-A254 VanDerWaalsContact C-N 3.32Å; L252-A254 PolarHBondContact O-N 3.48Å; A254-N258 PolarHBondContact O-N 3.27Å; A254-N258 VanDerWaalsContact O-N 3.11Å; A254-I537 HydrophobicContact CB-CG2 4.04Å
255	A	87.8	Confident	79.2	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-61.9	-46.6	175.5	0	0	0	0	0	112.1	G251 L252 N258 L259	G251-A255 PolarHBondContact O-N 2.97Å; L252-A255 WeakPolarHBondContact O-CB 3.34Å; L252-A255 PolarHBondContact O-N 3.17Å; A255-N258 PolarHBondContact O-N 3.46Å; A255-L259 WeakPolarHBondContact O-CG 3.16Å; A255-L259 PolarHBondContact O-N 3.26Å
256	Y	89.4	Confident	77.6	Confident	30 Å²	30	61.5 Å²	61.5	12%	0.118	35%	0.347	C	S	.	.	H	α-helix	trans	-67.1	-41.4	178.4	175.1	-98.3	0	0	0	113	L252 N258 L259 T260 I272 W274 F277	L252-Y256 PolarHBondContact O-N 3.43Å; Y256-N258 VanDerWaalsContact C-N 3.3Å; Y256-N258 PolarHBondContact O-N 3.27Å; Y256-L259 PolarHBondContact O-N 3.48Å; Y256-T260 HydrophobicContact CD1-CG2 4.47Å; Y256-T260 HydrophobicContact CD2-CG2 4.12Å; Y256-T260 HydrophobicContact CE1-CG2 4.05Å; Y256-T260 HydrophobicContact CE2-CG2 3.67Å; Y256-T260 PolarHBondContact O-N 3.31Å; Y256-T260 PolarHBondContact O-OG1 2.83Å; Y256-I272 HydrophobicContact CE2-CG2 4.15Å; Y256-I272 WeakPolarHBondContact CE2-O 3.47Å; Y256-I272 PolarHBondContact OH-O 3.46Å; Y256-I272 VanDerWaalsContact OH-O 3.07Å; Y256-W274 VanDerWaalsContact CB-CZ3 3.46Å; Y256-W274 AromaticContact CD1-CE3 3.51Å; Y256-W274 HydrophobicContact CD1-CE3 3.51Å; Y256-W274 AromaticContact CD1-CZ3 3.93Å; Y256-W274 HydrophobicContact CD1-CZ3 3.93Å; Y256-W274 AromaticContact CD2-CE3 3.8Å; Y256-W274 HydrophobicContact CD2-CE3 3.8Å; Y256-W274 HydrophobicContact CD2-CZ3 4.37Å; Y256-W274 HydrophobicContact CE1-CB 4.36Å; Y256-W274 AromaticContact CE1-CE3 3.99Å; Y256-W274 HydrophobicContact CE1-CE3 3.99Å; Y256-W274 HydrophobicContact CE2-CB 4.3Å; Y256-W274 HydrophobicContact CE2-CE3 4.23Å; Y256-W274 AromaticContact CG-CE3 3.4Å; Y256-W274 HydrophobicContact CG-CE3 3.4Å; Y256-W274 VanDerWaalsContact CG-CE3 3.4Å; Y256-W274 AromaticContact CG-CZ3 3.68Å; Y256-W274 HydrophobicContact CG-CZ3 3.68Å; Y256-W274 PolarHBondContact OH-N 3.25Å; Y256-W274 VanDerWaalsContact OH-N 3.11Å; Y256-F277 HydrophobicContact CD2-CB 4Å; Y256-F277 HydrophobicContact CD2-CD1 4.32Å; Y256-F277 HydrophobicContact CD2-CG 4.1Å; Y256-F277 HydrophobicContact CE2-CB 4.37Å
257	G	85	Confident	76	Confident	14 Å²	14	59.9 Å²	59.9	14%	0.144	34%	0.34	C	S	.	.	H	α-helix	trans	-55.8	-48	174.7	0	0	0	0	0	111	Q253 L259 T260 F261	Q253-G257 PolarHBondContact O-N 3.01Å; G257-L259 VanDerWaalsContact C-N 3.34Å; G257-L259 PolarHBondContact O-N 2.99Å; G257-T260 PolarHBondContact O-N 2.92Å; G257-T260 PolarHBondContact O-OG1 2.91Å; G257-F261 WeakPolarHBondContact O-CB 3.31Å; G257-F261 WeakPolarHBondContact O-CD2 3.25Å; G257-F261 PolarHBondContact O-N 3.5Å
258	N	84	Confident	74.6	Confident	40 Å²	40	69.3 Å²	69.3	21%	0.214	37%	0.371	C	S	.	.	H	α-helix	trans	-72.3	-24	-179	-75.5	4.4	0	0	0	114.6	A254 A255 Y256 H534 I537 I538	A254-N258 PolarHBondContact O-N 3.27Å; A254-N258 VanDerWaalsContact O-N 3.11Å; A255-N258 PolarHBondContact O-N 3.46Å; Y256-N258 VanDerWaalsContact C-N 3.3Å; Y256-N258 PolarHBondContact O-N 3.27Å; N258-H534 PolarHBondContact O-ND1 3Å; N258-H534 VanDerWaalsContact O-ND1 3.17Å; N258-I537 VanDerWaalsContact ND2-CB 3.35Å; N258-I537 WeakPolarHBondContact ND2-CB 3.37Å; N258-I537 WeakPolarHBondContact ND2-CD1 3.2Å; N258-I537 VanDerWaalsContact ND2-CG2 3.3Å; N258-I537 WeakPolarHBondContact ND2-CG2 3.37Å; N258-I538 HydrophobicContact CB-CD1 4.45Å; N258-I538 HydrophobicContact CB-CG1 4.13Å
259	L	83.1	Confident	73.5	Confident	63 Å²	63	74 Å²	74	33%	0.33	40%	0.4	S	S	.	.	H	α-helix	trans	-70.7	-36.7	170.6	-81.5	165.6	0	0	0	112.6	A255 Y256 G257 F277 I538	A255-L259 WeakPolarHBondContact O-CG 3.16Å; A255-L259 PolarHBondContact O-N 3.26Å; Y256-L259 PolarHBondContact O-N 3.48Å; G257-L259 VanDerWaalsContact C-N 3.34Å; G257-L259 PolarHBondContact O-N 2.99Å; L259-F277 HydrophobicContact CD1-CD2 4.07Å; L259-F277 HydrophobicContact CD1-CE2 3.7Å; L259-I538 HydrophobicContact CB-CD1 4.45Å; L259-I538 HydrophobicContact CD1-CG2 4.01Å; L259-I538 HydrophobicContact CD2-CD1 3.54Å; L259-I538 HydrophobicContact CD2-CG1 4.18Å; L259-I538 HydrophobicContact CD2-CG2 3.97Å; L259-I538 HydrophobicContact CG-CD1 3.62Å; L259-I538 HydrophobicContact CG-CG1 3.8Å; L259-I538 HydrophobicContact CG-CG2 3.93Å
260	T	76.5	Confident	72.7	Confident	22 Å²	22	74.4 Å²	74.4	14%	0.135	41%	0.406	C	S	.	.	H	α-helix	trans	-93	-32.3	-170.6	49.8	0	0	0	0	113.5	Y256 G257 P270 I272	Y256-T260 HydrophobicContact CD1-CG2 4.47Å; Y256-T260 HydrophobicContact CD2-CG2 4.12Å; Y256-T260 HydrophobicContact CE1-CG2 4.05Å; Y256-T260 HydrophobicContact CE2-CG2 3.67Å; Y256-T260 PolarHBondContact O-N 3.31Å; Y256-T260 PolarHBondContact O-OG1 2.83Å; G257-T260 PolarHBondContact O-N 2.92Å; G257-T260 PolarHBondContact O-OG1 2.91Å; T260-P270 HydrophobicContact CG2-CB 3.71Å; T260-I272 HydrophobicContact CG2-CG2 4.22Å
261	F	67.2	Low	72	Confident	173 Å²	173	80.8 Å²	80.8	76%	0.759	44%	0.439	S	S	*	.	S	Bend	trans	-93.2	-6.4	-177.3	-64.7	-64.7	0	0	0	114.4	G257	G257-F261 WeakPolarHBondContact O-CB 3.31Å; G257-F261 WeakPolarHBondContact O-CD2 3.25Å; G257-F261 PolarHBondContact O-N 3.5Å
262	G	58.7	Low	72	Confident	19 Å²	19	81.6 Å²	81.6	20%	0.196	44%	0.436	C	S	.	.	S	Bend	trans	-84.9	-10.8	-162.1	0	0	0	0	0	119.2
263	E	54.8	Low	72	Confident	122 Å²	122	84.9 Å²	84.9	57%	0.57	46%	0.459	S	S	*	.	S	Bend	trans	-144.8	45.7	-154.5	-125.3	170.2	-156.7	0	0	118
264	F	47.4	Very low	72	Confident	160 Å²	160	83.7 Å²	83.7	70%	0.702	45%	0.449	S	S	*	.			trans	68.6	90.3	174.2	-60.6	-104.2	0	0	0	114.5
265	S	47	Very low	72.3	Confident	85 Å²	85	83.3 Å²	83.3	59%	0.594	45%	0.451	S	S	*	.			trans	-156.8	109.9	157.2	-82.6	0	0	0	0	111.3	S267	S265-S267 PolarHBondContact O-N 3.48Å; S265-S267 VanDerWaalsContact O-N 3.08Å
266	S	52.4	Low	72.5	Confident	141 Å²	141	85 Å²	85	99%	0.986	47%	0.465	S	S	*	.	S	Bend	trans	-53.9	-13.9	163.7	6.7	0	0	0	0	113.1
267	S	52.6	Low	72.6	Confident	65 Å²	65	84.1 Å²	84.1	46%	0.455	46%	0.461	S	S	.	.	S	Bend	trans	-89	114.7	166.8	52.5	0	0	0	0	110.5	S265 T269	S265-S267 PolarHBondContact O-N 3.48Å; S265-S267 VanDerWaalsContact O-N 3.08Å; S267-T269 PolarHBondContact O-N 3.25Å
268	R	60.7	Low	73	Confident	256 Å²	256	84.1 Å²	84.1	97%	0.966	46%	0.458	S	S	*	.			trans	-63.8	22.1	177.7	-64.9	-177.7	-178.8	-179.1	-0.1	115.1
269	T	68.4	Low	73.5	Confident	99 Å²	99	88.4 Å²	88.4	61%	0.607	48%	0.475	S	S	*	.			trans	-97.4	121.7	179.9	51.9	0	0	0	0	109.9	S267	S267-T269 PolarHBondContact O-N 3.25Å
270	P	70.8	Confident	74.1	Confident	67 Å²	67	89.7 Å²	89.7	44%	0.435	48%	0.481	S	S	.	.			trans	-65.5	141.5	176.8	28.5	-34.5	0	0	0	110.9	T260 I272	T260-P270 HydrophobicContact CG2-CB 3.71Å; P270-I272 VanDerWaalsContact C-N 3.26Å; P270-I272 PolarHBondContact O-N 2.87Å
271	I	75.3	Confident	75	Confident	139 Å²	139	89 Å²	89	71%	0.713	48%	0.476	S	S	*	.	S	Bend	trans	-61.3	-36.9	178.9	-60.4	163.7	0	0	0	111.3
272	I	85.4	Confident	76.4	Confident	44 Å²	44	80.8 Å²	80.8	23%	0.226	44%	0.44	C	S	.	.	S	Bend	trans	-127.9	134.8	179.1	-172.1	168.5	0	0	0	108.9	Y256 T260 P270 A276 F277 I280	Y256-I272 HydrophobicContact CE2-CG2 4.15Å; Y256-I272 WeakPolarHBondContact CE2-O 3.47Å; Y256-I272 PolarHBondContact OH-O 3.46Å; Y256-I272 VanDerWaalsContact OH-O 3.07Å; T260-I272 HydrophobicContact CG2-CG2 4.22Å; P270-I272 VanDerWaalsContact C-N 3.26Å; P270-I272 PolarHBondContact O-N 2.87Å; I272-A276 HydrophobicContact CD1-CB 4.25Å; I272-A276 HydrophobicContact CG1-CB 3.75Å; I272-F277 HydrophobicContact CD1-CB 4.22Å; I272-I280 HydrophobicContact CD1-CD1 3.81Å
273	S	90.5	Very high	78.3	Confident	69 Å²	69	82.3 Å²	82.3	48%	0.483	45%	0.446	S	S	.	.			trans	-73.8	152.8	174.6	72.3	0	0	0	0	111	G275 A276 F277	S273-G275 VanDerWaalsContact C-N 3.26Å; S273-G275 PolarHBondContact O-N 3.07Å; S273-A276 PolarHBondContact O-N 3.41Å; S273-A276 VanDerWaalsContact OG-CB 3.31Å; S273-A276 WeakPolarHBondContact OG-CB 3.38Å; S273-A276 PolarHBondContact OG-N 3.39Å; S273-F277 PolarHBondContact O-N 2.95Å
274	W	89.7	Confident	80.2	Confident	96 Å²	96	79.8 Å²	79.8	36%	0.364	44%	0.436	S	S	.	.	H	α-helix	trans	-53.1	-43.4	176.5	176.9	-112.6	0	0	0	112.5	Q253 Y256 F277 H278	Q253-W274 HydrophobicContact CB-CH2 4.37Å; Y256-W274 VanDerWaalsContact CB-CZ3 3.46Å; Y256-W274 AromaticContact CD1-CE3 3.51Å; Y256-W274 HydrophobicContact CD1-CE3 3.51Å; Y256-W274 AromaticContact CD1-CZ3 3.93Å; Y256-W274 HydrophobicContact CD1-CZ3 3.93Å; Y256-W274 AromaticContact CD2-CE3 3.8Å; Y256-W274 HydrophobicContact CD2-CE3 3.8Å; Y256-W274 HydrophobicContact CD2-CZ3 4.37Å; Y256-W274 HydrophobicContact CE1-CB 4.36Å; Y256-W274 AromaticContact CE1-CE3 3.99Å; Y256-W274 HydrophobicContact CE1-CE3 3.99Å; Y256-W274 HydrophobicContact CE2-CB 4.3Å; Y256-W274 HydrophobicContact CE2-CE3 4.23Å; Y256-W274 AromaticContact CG-CE3 3.4Å; Y256-W274 HydrophobicContact CG-CE3 3.4Å; Y256-W274 VanDerWaalsContact CG-CE3 3.4Å; Y256-W274 AromaticContact CG-CZ3 3.68Å; Y256-W274 HydrophobicContact CG-CZ3 3.68Å; Y256-W274 PolarHBondContact OH-N 3.25Å; Y256-W274 VanDerWaalsContact OH-N 3.11Å; W274-F277 HydrophobicContact CZ3-CD1 4.39Å; W274-F277 PolarHBondContact O-N 3.39Å; W274-H278 AromaticContact CD2-CE1 3.5Å; W274-H278 AromaticContact CD2-ND1 3.83Å; W274-H278 AromaticContact CE2-CE1 3.11Å; W274-H278 AromaticContact CE2-ND1 3.78Å; W274-H278 AromaticContact CE2-NE2 3.79Å; W274-H278 AromaticContact CE3-CE1 3.74Å; W274-H278 AromaticContact CH2-CE1 3.37Å; W274-H278 WeakPolarHBondContact CH2-CE1 3.42Å; W274-H278 AromaticContact CZ2-CE1 3.08Å; W274-H278 WeakPolarHBondContact CZ2-CE1 3.14Å; W274-H278 AromaticContact CZ2-NE2 3.52Å; W274-H278 AromaticContact CZ3-CE1 3.67Å; W274-H278 AromaticContact NE1-CE1 3.64Å; W274-H278 PolarHBondContact O-N 2.82Å; W274-H278 PolarHBondContact O-ND1 3.19Å
275	G	91	Very high	82.6	Confident	46 Å²	46	72.2 Å²	72.2	47%	0.474	40%	0.402	S	S	.	.	H	α-helix	trans	-66	-37.9	176.9	0	0	0	0	0	113.6	S273 H278 F279	S273-G275 VanDerWaalsContact C-N 3.26Å; S273-G275 PolarHBondContact O-N 3.07Å; G275-H278 PolarHBondContact O-N 3.35Å; G275-F279 WeakPolarHBondContact O-CB 3.48Å; G275-F279 PolarHBondContact O-N 2.93Å
276	A	91.8	Very high	84.9	Confident	35 Å²	35	69.2 Å²	69.2	29%	0.289	38%	0.381	S	S	.	.	H	α-helix	trans	-66.1	-39.5	176.4	0	0	0	0	0	111.8	I272 S273 H278 F279 I280	I272-A276 HydrophobicContact CD1-CB 4.25Å; I272-A276 HydrophobicContact CG1-CB 3.75Å; S273-A276 PolarHBondContact O-N 3.41Å; S273-A276 VanDerWaalsContact OG-CB 3.31Å; S273-A276 WeakPolarHBondContact OG-CB 3.38Å; S273-A276 PolarHBondContact OG-N 3.39Å; A276-H278 VanDerWaalsContact C-N 3.34Å; A276-H278 PolarHBondContact O-N 3.29Å; A276-F279 PolarHBondContact O-N 2.98Å; A276-I280 WeakPolarHBondContact O-CG1 3.47Å; A276-I280 PolarHBondContact O-N 3.08Å
277	F	93.2	Very high	87	Confident	11 Å²	11	67 Å²	67	5%	0.048	36%	0.357	C	S	.	.	H	α-helix	trans	-58.4	-45	174	176.6	-106.5	0	0	0	112	L252 Y256 L259 I272 S273 W274 L281 I542	L252-F277 HydrophobicContact CB-CE1 4.21Å; L252-F277 HydrophobicContact CD2-CE1 3.85Å; L252-F277 HydrophobicContact CD2-CZ 3.95Å; Y256-F277 HydrophobicContact CD2-CB 4Å; Y256-F277 HydrophobicContact CD2-CD1 4.32Å; Y256-F277 HydrophobicContact CD2-CG 4.1Å; Y256-F277 HydrophobicContact CE2-CB 4.37Å; L259-F277 HydrophobicContact CD1-CD2 4.07Å; L259-F277 HydrophobicContact CD1-CE2 3.7Å; I272-F277 HydrophobicContact CD1-CB 4.22Å; S273-F277 PolarHBondContact O-N 2.95Å; W274-F277 HydrophobicContact CZ3-CD1 4.39Å; W274-F277 PolarHBondContact O-N 3.39Å; F277-L281 HydrophobicContact CD1-CD1 4.2Å; F277-L281 HydrophobicContact CE1-CD1 3.66Å; F277-L281 HydrophobicContact CE2-CD1 4.07Å; F277-L281 HydrophobicContact CZ-CD1 3.59Å; F277-L281 PolarHBondContact O-N 3.3Å; F277-I542 HydrophobicContact CE2-CD1 4.26Å; F277-I542 HydrophobicContact CE2-CG1 4.32Å; F277-I542 HydrophobicContact CZ-CG1 4.24Å
278	H	93.2	Very high	89	Confident	15 Å²	15	65 Å²	65	7%	0.069	34%	0.341	C	S	.	.	H	α-helix	trans	-63.8	-43.4	175.6	-75.2	59.2	0	0	0	112.2	W274 G275 A276 L281 A282	W274-H278 AromaticContact CD2-CE1 3.5Å; W274-H278 AromaticContact CD2-ND1 3.83Å; W274-H278 AromaticContact CE2-CE1 3.11Å; W274-H278 AromaticContact CE2-ND1 3.78Å; W274-H278 AromaticContact CE2-NE2 3.79Å; W274-H278 AromaticContact CE3-CE1 3.74Å; W274-H278 AromaticContact CH2-CE1 3.37Å; W274-H278 WeakPolarHBondContact CH2-CE1 3.42Å; W274-H278 AromaticContact CZ2-CE1 3.08Å; W274-H278 WeakPolarHBondContact CZ2-CE1 3.14Å; W274-H278 AromaticContact CZ2-NE2 3.52Å; W274-H278 AromaticContact CZ3-CE1 3.67Å; W274-H278 AromaticContact NE1-CE1 3.64Å; W274-H278 PolarHBondContact O-N 2.82Å; W274-H278 PolarHBondContact O-ND1 3.19Å; G275-H278 PolarHBondContact O-N 3.35Å; A276-H278 VanDerWaalsContact C-N 3.34Å; A276-H278 PolarHBondContact O-N 3.29Å; H278-L281 PolarHBondContact O-N 3.49Å; H278-A282 VanDerWaalsContact O-CB 3.31Å; H278-A282 WeakPolarHBondContact O-CB 3.31Å; H278-A282 PolarHBondContact O-N 2.96Å
279	F	94.6	Very high	90.7	Very high	130 Å²	130	52.8 Å²	52.8	57%	0.57	30%	0.295	S	S	*	.	H	α-helix	trans	-63.2	-44.8	-178.7	-178.7	-104	0	0	0	112.1	G275 A276 L281 A282 V283	G275-F279 WeakPolarHBondContact O-CB 3.48Å; G275-F279 PolarHBondContact O-N 2.93Å; A276-F279 PolarHBondContact O-N 2.98Å; F279-L281 PolarHBondContact O-N 3.49Å; F279-A282 PolarHBondContact O-N 2.98Å; F279-V283 HydrophobicContact CD1-CG2 4.31Å; F279-V283 HydrophobicContact CE1-CG2 3.9Å; F279-V283 HydrophobicContact CE2-CG2 4.14Å; F279-V283 HydrophobicContact CZ-CG2 3.81Å; F279-V283 WeakPolarHBondContact O-CG2 3.33Å; F279-V283 PolarHBondContact O-N 3.09Å
280	I	95.4	Very high	91.9	Very high	90 Å²	90	49 Å²	49	46%	0.462	27%	0.273	S	S	.	.	H	α-helix	trans	-60.7	-46.3	177.6	-67	169.7	0	0	0	110.7	I272 A276 A282 V283 I284	I272-I280 HydrophobicContact CD1-CD1 3.81Å; A276-I280 WeakPolarHBondContact O-CG1 3.47Å; A276-I280 PolarHBondContact O-N 3.08Å; I280-A282 VanDerWaalsContact C-N 3.35Å; I280-A282 PolarHBondContact O-N 3.4Å; I280-V283 PolarHBondContact O-N 2.81Å; I280-I284 HydrophobicContact CG2-CD1 4.06Å; I280-I284 WeakPolarHBondContact O-CG1 3.43Å; I280-I284 PolarHBondContact O-N 2.96Å
281	L	96	Very high	93.1	Very high	7 Å²	7	46.6 Å²	46.6	4%	0.037	26%	0.256	C	S	.	.	H	α-helix	trans	-62.6	-40.9	176.7	-73.5	174.5	0	0	0	112.2	L241 L252 F277 H278 F279 V283 I284 A285 I542 F545	L241-L281 HydrophobicContact CD1-CB 3.85Å; L241-L281 HydrophobicContact CD2-CB 4.32Å; L241-L281 HydrophobicContact CD2-CD1 4.14Å; L252-L281 HydrophobicContact CD2-CD1 3.63Å; F277-L281 HydrophobicContact CD1-CD1 4.2Å; F277-L281 HydrophobicContact CE1-CD1 3.66Å; F277-L281 HydrophobicContact CE2-CD1 4.07Å; F277-L281 HydrophobicContact CZ-CD1 3.59Å; F277-L281 PolarHBondContact O-N 3.3Å; H278-L281 PolarHBondContact O-N 3.49Å; F279-L281 PolarHBondContact O-N 3.49Å; L281-V283 PolarHBondContact O-N 2.82Å; L281-I284 PolarHBondContact O-N 3.35Å; L281-A285 VanDerWaalsContact O-CB 3.25Å; L281-A285 WeakPolarHBondContact O-CB 3.4Å; L281-A285 PolarHBondContact O-N 2.79Å; L281-I542 HydrophobicContact CD2-CG1 4.45Å; L281-I542 HydrophobicContact CD2-CG2 4.02Å; L281-F545 HydrophobicContact CB-CE1 4.24Å; L281-F545 HydrophobicContact CD2-CD1 4.35Å
282	A	96.6	Very high	94	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.8	-37.3	177.1	0	0	0	0	0	112.3	A237 L241 H278 F279 I280 A285 C286	A237-A282 HydrophobicContact CB-CB 4.36Å; L241-A282 HydrophobicContact CD1-CB 4.06Å; H278-A282 VanDerWaalsContact O-CB 3.31Å; H278-A282 WeakPolarHBondContact O-CB 3.31Å; H278-A282 PolarHBondContact O-N 2.96Å; F279-A282 PolarHBondContact O-N 2.98Å; I280-A282 VanDerWaalsContact C-N 3.35Å; I280-A282 PolarHBondContact O-N 3.4Å; A282-A285 PolarHBondContact O-N 3.41Å; A282-C286 VanDerWaalsContact O-CB 3.28Å; A282-C286 WeakPolarHBondContact O-CB 3.36Å; A282-C286 PolarHBondContact O-N 3.03Å
283	V	96.6	Very high	94.4	Very high	52 Å²	52	37.9 Å²	37.9	32%	0.315	21%	0.212	S	C	.	.	H	α-helix	trans	-66.5	-43.9	175	171	0	0	0	0	111.1	F279 I280 L281 A285 C286 I287	F279-V283 HydrophobicContact CD1-CG2 4.31Å; F279-V283 HydrophobicContact CE1-CG2 3.9Å; F279-V283 HydrophobicContact CE2-CG2 4.14Å; F279-V283 HydrophobicContact CZ-CG2 3.81Å; F279-V283 WeakPolarHBondContact O-CG2 3.33Å; F279-V283 PolarHBondContact O-N 3.09Å; I280-V283 PolarHBondContact O-N 2.81Å; L281-V283 PolarHBondContact O-N 2.82Å; V283-A285 VanDerWaalsContact C-N 3.32Å; V283-A285 PolarHBondContact O-N 2.87Å; V283-C286 WeakPolarHBondContact O-CB 3.2Å; V283-C286 PolarHBondContact O-N 2.75Å; V283-I287 HydrophobicContact CG1-CD1 4.16Å; V283-I287 WeakPolarHBondContact O-CG1 3.36Å; V283-I287 PolarHBondContact O-N 3.42Å
284	I	96.4	Very high	94.4	Very high	69 Å²	69	35.7 Å²	35.7	35%	0.354	19%	0.193	S	C	.	.	H	α-helix	trans	-61.4	-44.8	175.6	-65.8	166.1	0	0	0	110.3	I280 L281 C286 I287 I288 L546	I280-I284 HydrophobicContact CG2-CD1 4.06Å; I280-I284 WeakPolarHBondContact O-CG1 3.43Å; I280-I284 PolarHBondContact O-N 2.96Å; L281-I284 PolarHBondContact O-N 3.35Å; I284-C286 VanDerWaalsContact C-N 3.35Å; I284-C286 PolarHBondContact O-N 3.35Å; I284-I287 PolarHBondContact O-N 2.74Å; I284-I288 HydrophobicContact CG2-CD1 3.86Å; I284-I288 WeakPolarHBondContact O-CG1 3.4Å; I284-I288 PolarHBondContact O-N 2.63Å; I284-L546 HydrophobicContact CG2-CD2 3.89Å
285	A	96.5	Very high	94.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.3	-41	176.5	0	0	0	0	0	112.5	A237 L281 A282 V283 I288 G289 F545 W549	A237-A285 HydrophobicContact CB-CB 3.62Å; L281-A285 VanDerWaalsContact O-CB 3.25Å; L281-A285 WeakPolarHBondContact O-CB 3.4Å; L281-A285 PolarHBondContact O-N 2.79Å; A282-A285 PolarHBondContact O-N 3.41Å; V283-A285 VanDerWaalsContact C-N 3.32Å; V283-A285 PolarHBondContact O-N 2.87Å; A285-I288 PolarHBondContact O-N 3.24Å; A285-G289 PolarHBondContact O-N 2.87Å; A285-F545 HydrophobicContact CB-CE1 3.95Å; A285-F545 HydrophobicContact CB-CZ 3.77Å; A285-W549 HydrophobicContact CB-CD2 4.06Å; A285-W549 HydrophobicContact CB-CG 4.03Å; A285-W549 HydrophobicContact CB-CZ2 4.25Å; A285-W549 PolarHBondContact O-NE1 2.89Å
286	C	96.2	Very high	94.6	Very high	22 Å²	22	29.1 Å²	29.1	15%	0.149	15%	0.154	C	C	.	.	H	α-helix	trans	-59.2	-50	173.9	173.5	0	0	0	0	111.2	G230 L234 A282 V283 I284 I288 G289 S290	G230-C286 PolarHBondContact O-SG 2.99Å; L234-C286 HydrophobicContact CB-CB 3.99Å; L234-C286 HydrophobicContact CG-CB 4.45Å; A282-C286 VanDerWaalsContact O-CB 3.28Å; A282-C286 WeakPolarHBondContact O-CB 3.36Å; A282-C286 PolarHBondContact O-N 3.03Å; V283-C286 WeakPolarHBondContact O-CB 3.2Å; V283-C286 PolarHBondContact O-N 2.75Å; I284-C286 VanDerWaalsContact C-N 3.35Å; I284-C286 PolarHBondContact O-N 3.35Å; C286-I288 PolarHBondContact O-N 3.03Å; C286-G289 PolarHBondContact O-N 3.45Å; C286-S290 WeakPolarHBondContact O-CB 3.2Å; C286-S290 PolarHBondContact O-N 3.48Å; C286-S290 PolarHBondContact O-OG 2.91Å
287	I	95.4	Very high	94.6	Very high	95 Å²	95	28.7 Å²	28.7	49%	0.487	15%	0.147	S	C	.	.	H	α-helix	trans	-59.4	-48.2	178.7	-66.1	166.1	0	0	0	110.6	V283 I284 G289 S290 L291	V283-I287 HydrophobicContact CG1-CD1 4.16Å; V283-I287 WeakPolarHBondContact O-CG1 3.36Å; V283-I287 PolarHBondContact O-N 3.42Å; I284-I287 PolarHBondContact O-N 2.74Å; I287-G289 VanDerWaalsContact C-N 3.35Å; I287-G289 PolarHBondContact O-N 2.96Å; I287-S290 PolarHBondContact O-N 3.07Å; I287-L291 HydrophobicContact CG2-CD1 4.45Å; I287-L291 WeakPolarHBondContact O-CG 3.32Å; I287-L291 PolarHBondContact O-N 2.96Å; I287-L291 VanDerWaalsContact O-N 3.11Å
288	I	95.6	Very high	94.4	Very high	22 Å²	22	30 Å²	30	11%	0.113	15%	0.153	C	C	.	.	H	α-helix	trans	-60.9	-44.6	178.1	-66.6	168.6	0	0	0	110.9	I284 A285 C286 L291 F292 L546	I284-I288 HydrophobicContact CG2-CD1 3.86Å; I284-I288 WeakPolarHBondContact O-CG1 3.4Å; I284-I288 PolarHBondContact O-N 2.63Å; A285-I288 PolarHBondContact O-N 3.24Å; C286-I288 PolarHBondContact O-N 3.03Å; I288-L291 PolarHBondContact O-N 2.76Å; I288-F292 HydrophobicContact CG2-CD2 4.22Å; I288-F292 HydrophobicContact CG2-CE2 3.67Å; I288-F292 HydrophobicContact CG2-CZ 4.13Å; I288-F292 PolarHBondContact O-N 3.38Å; I288-L546 HydrophobicContact CD1-CD2 3.99Å
289	G	96.1	Very high	94.4	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.7	-45.8	177.7	0	0	0	0	0	112.4	F233 A285 C286 I287 L291 F292	F233-G289 VanDerWaalsContact CD2-C 3.42Å; F233-G289 WeakPolarHBondContact CE2-O 3.11Å; A285-G289 PolarHBondContact O-N 2.87Å; C286-G289 PolarHBondContact O-N 3.45Å; I287-G289 VanDerWaalsContact C-N 3.35Å; I287-G289 PolarHBondContact O-N 2.96Å; G289-L291 VanDerWaalsContact C-N 3.28Å; G289-L291 PolarHBondContact O-N 3.03Å; G289-F292 PolarHBondContact O-N 2.83Å
290	S	94.5	Very high	94.2	Very high	21 Å²	21	23.8 Å²	23.8	15%	0.147	13%	0.125	C	C	.	.	H	α-helix	trans	-59.2	-36.8	176	-71.1	0	0	0	0	112.8	G230 C286 I287 F292 V293	G230-S290 WeakPolarHBondContact CA-OG 3.45Å; C286-S290 WeakPolarHBondContact O-CB 3.2Å; C286-S290 PolarHBondContact O-N 3.48Å; C286-S290 PolarHBondContact O-OG 2.91Å; I287-S290 PolarHBondContact O-N 3.07Å; S290-F292 PolarHBondContact O-N 3.38Å; S290-V293 WeakPolarHBondContact O-CG2 3.36Å; S290-V293 PolarHBondContact O-N 3.47Å
291	L	94.9	Very high	93.8	Very high	15 Å²	15	22 Å²	22	8%	0.079	11%	0.114	C	C	.	.	H	α-helix	trans	-67	-21.1	176.3	-68.5	177	0	0	0	113.4	L185 V186 I287 I288 G289 P295	L185-L291 HydrophobicContact CB-CB 4.23Å; L185-L291 HydrophobicContact CB-CD1 4.21Å; L185-L291 HydrophobicContact CB-CD2 4.29Å; L185-L291 HydrophobicContact CB-CG 4.48Å; V186-L291 HydrophobicContact CB-CD2 4.48Å; V186-L291 HydrophobicContact CG2-CD1 4.2Å; V186-L291 HydrophobicContact CG2-CD2 3.85Å; I287-L291 HydrophobicContact CG2-CD1 4.45Å; I287-L291 WeakPolarHBondContact O-CG 3.32Å; I287-L291 PolarHBondContact O-N 2.96Å; I287-L291 VanDerWaalsContact O-N 3.11Å; I288-L291 PolarHBondContact O-N 2.76Å; G289-L291 VanDerWaalsContact C-N 3.28Å; G289-L291 PolarHBondContact O-N 3.03Å; L291-P295 WeakPolarHBondContact O-CD 3.43Å
292	F	95.5	Very high	93.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-92.6	-5	179.9	-67.7	-27.4	0	0	0	115.5	L185 I288 G289 S290 Y294 G296 P446 L449 T550 W554	L185-F292 HydrophobicContact CD1-CE1 3.9Å; I288-F292 HydrophobicContact CG2-CD2 4.22Å; I288-F292 HydrophobicContact CG2-CE2 3.67Å; I288-F292 HydrophobicContact CG2-CZ 4.13Å; I288-F292 PolarHBondContact O-N 3.38Å; G289-F292 PolarHBondContact O-N 2.83Å; S290-F292 PolarHBondContact O-N 3.38Å; F292-Y294 PolarHBondContact O-N 2.84Å; F292-G296 PolarHBondContact O-N 3.25Å; F292-P446 HydrophobicContact CD1-CB 4.14Å; F292-P446 HydrophobicContact CD1-CG 4.11Å; F292-P446 HydrophobicContact CE1-CB 3.69Å; F292-P446 HydrophobicContact CE1-CG 4.01Å; F292-P446 HydrophobicContact CZ-CB 4.31Å; F292-L449 HydrophobicContact CE1-CD1 4.33Å; F292-L449 HydrophobicContact CZ-CD1 4.17Å; F292-L449 HydrophobicContact CZ-CD2 4.1Å; F292-T550 HydrophobicContact CE2-CG2 3.62Å; F292-T550 WeakPolarHBondContact CE2-O 3.47Å; F292-T550 HydrophobicContact CZ-CG2 3.68Å; F292-W554 HydrophobicContact CD2-CB 3.83Å; F292-W554 HydrophobicContact CE2-CB 4.08Å; F292-W554 HydrophobicContact CG-CB 4.29Å
293	V	92.9	Very high	93.2	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.006	12%	0.119	C	C	.	.	H	α-helix	trans	-54.8	-55.3	179.4	176.1	0	0	0	0	111.1	L225 A229 F233 S290 I297 M557	L225-V293 HydrophobicContact CD2-CG1 4.28Å; L225-V293 HydrophobicContact CG-CG1 4.28Å; A229-V293 HydrophobicContact CB-CG2 3.48Å; A229-V293 VanDerWaalsContact CB-CG2 3.48Å; F233-V293 HydrophobicContact CE2-CG2 4.49Å; S290-V293 WeakPolarHBondContact O-CG2 3.36Å; S290-V293 PolarHBondContact O-N 3.47Å; V293-I297 HydrophobicContact CG1-CD1 3.87Å; V293-I297 WeakPolarHBondContact O-CB 3.3Å; V293-I297 VanDerWaalsContact O-CG1 3.23Å; V293-I297 WeakPolarHBondContact O-CG1 3.29Å; V293-I297 PolarHBondContact O-N 3.39Å; V293-M557 HydrophobicContact CG2-CE 4.16Å; V293-M557 HydrophobicContact CG2-SD 4.24Å
294	Y	90.5	Very high	92.8	Very high	23 Å²	23	21.9 Å²	21.9	9%	0.09	11%	0.109	C	C	.	.	H	α-helix	trans	-71.5	-47.9	-179.1	-66.5	-72.4	0	0	0	114.3	T189 Y192 E222 I226 F292 G296 I297 K298	T189-Y294 HydrophobicContact CG2-CD2 4.24Å; T189-Y294 HydrophobicContact CG2-CE2 4.13Å; Y192-Y294 VanDerWaalsContact CB-CZ 3.46Å; Y192-Y294 WeakPolarHBondContact CB-OH 3.21Å; Y192-Y294 HydrophobicContact CD1-CD1 4.17Å; Y192-Y294 AromaticContact CD1-CE1 3.8Å; Y192-Y294 HydrophobicContact CD1-CE1 3.8Å; Y192-Y294 AromaticContact CD2-CD1 3.99Å; Y192-Y294 HydrophobicContact CD2-CD1 3.99Å; Y192-Y294 AromaticContact CD2-CD2 3.66Å; Y192-Y294 HydrophobicContact CD2-CD2 3.66Å; Y192-Y294 HydrophobicContact CD2-CE1 4.1Å; Y192-Y294 AromaticContact CD2-CE2 3.75Å; Y192-Y294 HydrophobicContact CD2-CE2 3.75Å; Y192-Y294 AromaticContact CD2-CG 3.77Å; Y192-Y294 HydrophobicContact CD2-CG 3.77Å; Y192-Y294 AromaticContact CD2-CZ 3.98Å; Y192-Y294 HydrophobicContact CE1-CD1 4.2Å; Y192-Y294 HydrophobicContact CE1-CE1 4.23Å; Y192-Y294 HydrophobicContact CE2-CD1 4.04Å; Y192-Y294 HydrophobicContact CE2-CD2 4.17Å; Y192-Y294 AromaticContact CE2-CG 3.84Å; Y192-Y294 HydrophobicContact CE2-CG 3.84Å; Y192-Y294 HydrophobicContact CG-CD1 4.07Å; Y192-Y294 HydrophobicContact CG-CD2 4.14Å; Y192-Y294 AromaticContact CG-CE1 3.72Å; Y192-Y294 HydrophobicContact CG-CE1 3.72Å; Y192-Y294 AromaticContact CG-CE2 3.78Å; Y192-Y294 HydrophobicContact CG-CE2 3.78Å; Y192-Y294 HydrophobicContact CG-CG 4.25Å; Y192-Y294 AromaticContact CG-CZ 3.57Å; E222-Y294 WeakPolarHBondContact CB-OH 3.46Å; E222-Y294 PolarHBondContact O-OH 3.25Å; I226-Y294 HydrophobicContact CD1-CE2 3.43Å; I226-Y294 VanDerWaalsContact CD1-CE2 3.43Å; I226-Y294 WeakPolarHBondContact CD1-OH 3.34Å; I226-Y294 HydrophobicContact CG1-CE2 3.56Å; F292-Y294 PolarHBondContact O-N 2.84Å; Y294-G296 VanDerWaalsContact C-N 3.25Å; Y294-G296 PolarHBondContact O-N 2.85Å; Y294-I297 PolarHBondContact O-N 3.21Å; Y294-K298 VanDerWaalsContact O-CB 3.31Å; Y294-K298 WeakPolarHBondContact O-CB 3.23Å; Y294-K298 PolarHBondContact O-N 3.32Å
295	P	92.2	Very high	92.2	Very high	4 Å²	4	19 Å²	19	3%	0.026	9%	0.094	C	C	.	.	H	α-helix	trans	-51.1	-44.3	172.2	-31.9	38.5	0	0	0	113.5	L185 L291 F299 Q442 P446	L185-P295 HydrophobicContact CD2-CG 3.95Å; L291-P295 WeakPolarHBondContact O-CD 3.43Å; P295-F299 WeakPolarHBondContact O-CB 3.27Å; P295-F299 PolarHBondContact O-N 3.5Å; P295-Q442 WeakPolarHBondContact CB-O 3.34Å; P295-P446 HydrophobicContact CB-CG 3.68Å; P295-P446 HydrophobicContact CG-CG 4.17Å
296	G	93.4	Very high	91.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-68.6	-46.5	-179.6	0	0	0	0	0	113	F292 Y294 K298 F299 G300 M557	F292-G296 PolarHBondContact O-N 3.25Å; Y294-G296 VanDerWaalsContact C-N 3.25Å; Y294-G296 PolarHBondContact O-N 2.85Å; G296-K298 VanDerWaalsContact C-N 3.3Å; G296-K298 PolarHBondContact O-N 2.98Å; G296-F299 PolarHBondContact O-N 3.44Å; G296-G300 PolarHBondContact O-N 3.29Å; G296-M557 CarbonylContact C-O 3.6Å
297	I	91.5	Very high	91.3	Very high	26 Å²	26	20.8 Å²	20.8	13%	0.133	10%	0.104	C	C	.	.	H	α-helix	trans	-59.4	-44.6	175.8	-68.1	168.8	0	0	0	110.8	L225 V293 Y294 F299 G300 K301	L225-I297 HydrophobicContact CD2-CD1 3.86Å; V293-I297 HydrophobicContact CG1-CD1 3.87Å; V293-I297 WeakPolarHBondContact O-CB 3.3Å; V293-I297 VanDerWaalsContact O-CG1 3.23Å; V293-I297 WeakPolarHBondContact O-CG1 3.29Å; V293-I297 PolarHBondContact O-N 3.39Å; Y294-I297 PolarHBondContact O-N 3.21Å; I297-F299 PolarHBondContact O-N 3.23Å; I297-G300 PolarHBondContact O-N 3.11Å; I297-K301 PolarHBondContact O-N 3.46Å; I297-K301 VanDerWaalsContact O-N 3.08Å
298	K	89	Confident	90.7	Very high	39 Å²	39	21.1 Å²	21.1	17%	0.17	10%	0.103	C	C	.	.	H	α-helix	trans	-62.4	-43.1	178.2	-170.4	77.1	-176.2	-156	0	112	Y294 G296 G300 K301 I302 V439 Q442	Y294-K298 VanDerWaalsContact O-CB 3.31Å; Y294-K298 WeakPolarHBondContact O-CB 3.23Å; Y294-K298 PolarHBondContact O-N 3.32Å; G296-K298 VanDerWaalsContact C-N 3.3Å; G296-K298 PolarHBondContact O-N 2.98Å; K298-G300 PolarHBondContact O-N 3.16Å; K298-K301 WeakPolarHBondContact O-CB 3.45Å; K298-K301 PolarHBondContact O-N 3.33Å; K298-I302 HydrophobicContact CG-CD1 3.93Å; K298-I302 HydrophobicContact CG-CG1 4.46Å; K298-I302 WeakPolarHBondContact O-CG1 3.43Å; K298-I302 PolarHBondContact O-N 3.28Å; K298-V439 VanDerWaalsContact CE-CG2 3.45Å; K298-Q442 VanDerWaalsContact CG-OE1 3.31Å
299	F	91.7	Very high	89.8	Confident	13 Å²	13	21.8 Å²	21.8	6%	0.057	11%	0.105	C	C	.	.	H	α-helix	trans	-59	-47	177.6	-176.3	-84.7	0	0	0	111.4	P295 G296 I297 K301 I302 Y303 F324 Y443 C558	P295-F299 WeakPolarHBondContact O-CB 3.27Å; P295-F299 PolarHBondContact O-N 3.5Å; G296-F299 PolarHBondContact O-N 3.44Å; I297-F299 PolarHBondContact O-N 3.23Å; F299-K301 VanDerWaalsContact C-N 3.3Å; F299-K301 PolarHBondContact O-N 3.09Å; F299-I302 PolarHBondContact O-N 2.98Å; F299-Y303 WeakPolarHBondContact O-CB 3.43Å; F299-Y303 PolarHBondContact O-N 3.05Å; F299-F324 AromaticContact CE1-CD2 3.87Å; F299-F324 HydrophobicContact CE1-CD2 3.87Å; F299-F324 HydrophobicContact CE1-CE2 4.38Å; F299-Y443 AromaticContact CD2-CD2 3.71Å; F299-Y443 HydrophobicContact CD2-CD2 3.71Å; F299-Y443 AromaticContact CD2-CE2 3.41Å; F299-Y443 HydrophobicContact CD2-CE2 3.41Å; F299-Y443 VanDerWaalsContact CD2-CE2 3.41Å; F299-Y443 HydrophobicContact CE2-CD2 4.07Å; F299-Y443 AromaticContact CE2-CE2 3.27Å; F299-Y443 HydrophobicContact CE2-CE2 3.27Å; F299-Y443 AromaticContact CE2-CZ 3.85Å; F299-C558 HydrophobicContact CD1-CB 3.8Å; F299-C558 WeakPolarHBondContact CD1-SG 3.43Å; F299-C558 HydrophobicContact CE1-CB 4.3Å
300	G	90.7	Very high	88.3	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.4	-40.5	176.1	0	0	0	0	0	112.9	G296 I297 K298 L304	G296-G300 PolarHBondContact O-N 3.29Å; I297-G300 PolarHBondContact O-N 3.11Å; K298-G300 PolarHBondContact O-N 3.16Å; G300-L304 PolarHBondContact O-N 3.28Å
301	K	87.7	Confident	87.3	Confident	52 Å²	52	32.7 Å²	32.7	23%	0.226	18%	0.177	C	C	.	.	H	α-helix	trans	-59.9	-53.4	174	-165.9	-166.7	172.6	76	0	112.2	I297 K298 F299 Y303 L304 D305 H565	I297-K301 PolarHBondContact O-N 3.46Å; I297-K301 VanDerWaalsContact O-N 3.08Å; K298-K301 WeakPolarHBondContact O-CB 3.45Å; K298-K301 PolarHBondContact O-N 3.33Å; F299-K301 VanDerWaalsContact C-N 3.3Å; F299-K301 PolarHBondContact O-N 3.09Å; K301-Y303 VanDerWaalsContact C-N 3.29Å; K301-Y303 PolarHBondContact O-N 2.82Å; K301-L304 PolarHBondContact O-N 3.49Å; K301-L304 VanDerWaalsContact O-N 3.14Å; K301-D305 PolarHBondContact O-N 3.45Å; K301-H565 WeakPolarHBondContact CB-CD2 3.49Å
302	I	88.9	Confident	86.3	Confident	4 Å²	4	34.9 Å²	34.9	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-65.7	-37.6	-174.4	-59.9	163.7	0	0	0	110.3	K298 F299 L304 D305 T306 T398 Y402 V439	K298-I302 HydrophobicContact CG-CD1 3.93Å; K298-I302 HydrophobicContact CG-CG1 4.46Å; K298-I302 WeakPolarHBondContact O-CG1 3.43Å; K298-I302 PolarHBondContact O-N 3.28Å; F299-I302 PolarHBondContact O-N 2.98Å; I302-L304 VanDerWaalsContact C-N 3.35Å; I302-L304 PolarHBondContact O-N 3.33Å; I302-D305 PolarHBondContact O-N 3.5Å; I302-T306 WeakPolarHBondContact O-CB 3.33Å; I302-T306 PolarHBondContact O-N 2.98Å; I302-T306 PolarHBondContact O-OG1 3.12Å; I302-T398 HydrophobicContact CB-CG2 4.15Å; I302-T398 HydrophobicContact CD1-CG2 3.99Å; I302-T398 HydrophobicContact CG2-CG2 3.45Å; I302-T398 VanDerWaalsContact CG2-CG2 3.45Å; I302-Y402 HydrophobicContact CG1-CD2 4.44Å; I302-V439 HydrophobicContact CD1-CG1 3.65Å
303	Y	90.1	Very high	85.9	Confident	35 Å²	35	37.8 Å²	37.8	14%	0.137	21%	0.208	C	C	.	.	H	α-helix	trans	-55.3	-51	172.2	171.7	-91.9	0	0	0	111.3	F299 K301 D305 T306 V307 L320 H321 F324 L562	F299-Y303 WeakPolarHBondContact O-CB 3.43Å; F299-Y303 PolarHBondContact O-N 3.05Å; K301-Y303 VanDerWaalsContact C-N 3.29Å; K301-Y303 PolarHBondContact O-N 2.82Å; Y303-D305 PolarHBondContact O-N 2.88Å; Y303-T306 PolarHBondContact O-N 2.9Å; Y303-V307 HydrophobicContact CD1-CG2 4.38Å; Y303-V307 HydrophobicContact CE1-CG2 4.02Å; Y303-V307 HydrophobicContact CE2-CG2 4.21Å; Y303-V307 WeakPolarHBondContact O-CG2 3.36Å; Y303-V307 PolarHBondContact O-N 2.66Å; Y303-L320 HydrophobicContact CD2-CD1 3.73Å; Y303-L320 HydrophobicContact CD2-CD2 4.32Å; Y303-L320 HydrophobicContact CD2-CG 3.78Å; Y303-L320 HydrophobicContact CE2-CD1 4.26Å; Y303-L320 HydrophobicContact CE2-CD2 4.34Å; Y303-L320 HydrophobicContact CE2-CG 3.8Å; Y303-H321 AromaticContact CZ-ND1 3.93Å; Y303-H321 PolarHBondContact OH-CE1 3.04Å; Y303-H321 VanDerWaalsContact OH-CE1 3.26Å; Y303-H321 PolarHBondContact OH-ND1 3.4Å; Y303-F324 HydrophobicContact CD2-CB 4.28Å; Y303-F324 HydrophobicContact CD2-CD2 4.21Å; Y303-F324 HydrophobicContact CD2-CG 4.47Å; Y303-F324 HydrophobicContact CE2-CB 3.95Å; Y303-F324 HydrophobicContact CE2-CD2 4.39Å; Y303-F324 HydrophobicContact CE2-CG 4.24Å; Y303-F324 HydrophobicContact CG-CD2 4.36Å; Y303-L562 HydrophobicContact CD1-CD1 3.72Å; Y303-L562 HydrophobicContact CD1-CD2 4.43Å; Y303-L562 HydrophobicContact CE1-CD1 4.04Å; Y303-L562 HydrophobicContact CE1-CD2 4.23Å
304	L	88.6	Confident	85.6	Confident	19 Å²	19	43 Å²	43	10%	0.099	24%	0.239	C	C	.	.	H	α-helix	trans	-64.9	-41	-178.9	-178.4	145.5	0	0	0	112.3	G300 K301 I302 T306 V307 K308 L562 R566 N569	G300-L304 PolarHBondContact O-N 3.28Å; K301-L304 PolarHBondContact O-N 3.49Å; K301-L304 VanDerWaalsContact O-N 3.14Å; I302-L304 VanDerWaalsContact C-N 3.35Å; I302-L304 PolarHBondContact O-N 3.33Å; L304-T306 VanDerWaalsContact C-N 3.33Å; L304-T306 PolarHBondContact O-N 2.93Å; L304-V307 PolarHBondContact O-N 3.47Å; L304-K308 HydrophobicContact CD2-CD 3.79Å; L304-K308 VanDerWaalsContact CD2-CE 3.4Å; L304-K308 WeakPolarHBondContact O-CG 3.38Å; L304-K308 PolarHBondContact O-N 3.45Å; L304-K308 VanDerWaalsContact O-N 3.13Å; L304-L562 HydrophobicContact CB-CD1 4.13Å; L304-L562 HydrophobicContact CD1-CD1 4.14Å; L304-R566 HydrophobicContact CD1-CB 4.31Å; L304-N569 WeakPolarHBondContact CD2-ND2 3.18Å
305	D	84.9	Confident	85.5	Confident	8 Å²	8	47.6 Å²	47.6	4%	0.043	26%	0.264	C	S	.	.	H	α-helix	trans	-64	-39.3	175.5	-68.1	-20.5	0	0	0	111	K301 I302 Y303 K308 Q309	K301-D305 PolarHBondContact O-N 3.45Å; I302-D305 PolarHBondContact O-N 3.5Å; Y303-D305 PolarHBondContact O-N 2.88Å; D305-K308 PolarHBondContact O-N 3.34Å; D305-Q309 PolarHBondContact O-N 3.49Å
306	T	85.8	Confident	85.2	Confident	15 Å²	15	52.4 Å²	52.4	9%	0.092	29%	0.285	C	S	.	.	H	α-helix	trans	-67.7	-38.7	177.4	-49.1	0	0	0	0	112	I302 Y303 L304 K308 Q309 M312 L320 A401	I302-T306 WeakPolarHBondContact O-CB 3.33Å; I302-T306 PolarHBondContact O-N 2.98Å; I302-T306 PolarHBondContact O-OG1 3.12Å; Y303-T306 PolarHBondContact O-N 2.9Å; L304-T306 VanDerWaalsContact C-N 3.33Å; L304-T306 PolarHBondContact O-N 2.93Å; T306-K308 VanDerWaalsContact C-N 3.3Å; T306-K308 PolarHBondContact O-N 3.03Å; T306-Q309 PolarHBondContact O-N 3.01Å; T306-M312 HydrophobicContact CG2-CE 3.92Å; T306-M312 HydrophobicContact CG2-SD 4.3Å; T306-M312 WeakPolarHBondContact O-CE 3.4Å; T306-L320 HydrophobicContact CG2-CD1 4.3Å; T306-L320 HydrophobicContact CG2-CD2 3.7Å; T306-A401 HydrophobicContact CG2-CB 3.86Å; T306-A401 WeakPolarHBondContact OG1-CB 3.44Å
307	V	86.4	Confident	85	Confident	44 Å²	44	58.6 Å²	58.6	27%	0.267	31%	0.308	S	S	.	.	H	α-helix	trans	-67	-32.4	177	172.9	0	0	0	0	111.7	Y303 L304 L320	Y303-V307 HydrophobicContact CD1-CG2 4.38Å; Y303-V307 HydrophobicContact CE1-CG2 4.02Å; Y303-V307 HydrophobicContact CE2-CG2 4.21Å; Y303-V307 WeakPolarHBondContact O-CG2 3.36Å; Y303-V307 PolarHBondContact O-N 2.66Å; L304-V307 PolarHBondContact O-N 3.47Å; V307-L320 HydrophobicContact CG2-CD2 3.53Å
308	K	83.3	Confident	85	Confident	103 Å²	103	62.3 Å²	62.3	45%	0.448	33%	0.327	S	S	.	.	H	α-helix	trans	-74.5	-23.5	-179.8	-75.5	179.1	176.2	-173.2	0	113.6	L304 D305 T306 C310 N569	L304-K308 HydrophobicContact CD2-CD 3.79Å; L304-K308 VanDerWaalsContact CD2-CE 3.4Å; L304-K308 WeakPolarHBondContact O-CG 3.38Å; L304-K308 PolarHBondContact O-N 3.45Å; L304-K308 VanDerWaalsContact O-N 3.13Å; D305-K308 PolarHBondContact O-N 3.34Å; T306-K308 VanDerWaalsContact C-N 3.3Å; T306-K308 PolarHBondContact O-N 3.03Å; K308-C310 PolarHBondContact O-N 3.32Å; K308-C310 VanDerWaalsContact O-N 3.08Å; K308-N569 PolarHBondContact NZ-ND2 2.94Å
309	Q	77.4	Confident	85.1	Confident	36 Å²	36	62.3 Å²	62.3	17%	0.168	33%	0.328	C	S	.	.	S	Bend	trans	-67.9	105.3	177.7	-74	172	11.8	0	0	110.2	D305 T306 M312 A401 N404	D305-Q309 PolarHBondContact O-N 3.49Å; T306-Q309 PolarHBondContact O-N 3.01Å; Q309-M312 WeakPolarHBondContact O-CG 3.08Å; Q309-A401 PolarHBondContact NE2-O 3.26Å; Q309-N404 VanDerWaalsContact NE2-CB 3.3Å
310	C	63.8	Low	85	Confident	117 Å²	117	62.7 Å²	62.7	79%	0.791	33%	0.331	S	S	*	.	S	Bend	trans	-110.5	139.1	174.1	-76.7	0	0	0	0	110.3	K308	K308-C310 PolarHBondContact O-N 3.32Å; K308-C310 VanDerWaalsContact O-N 3.08Å
311	P	74	Confident	85.1	Confident	133 Å²	133	65.1 Å²	65.1	86%	0.864	34%	0.342	S	S	*	.	S	Bend	cis	-91.9	134	2.6	33.1	-31.4	0	0	0	113.7
312	M	74.6	Confident	85.3	Confident	60 Å²	60	66.7 Å²	66.7	30%	0.296	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-102.8	147.1	169.5	-73.3	-118.3	-75.6	0	0	111	T306 Q309 K316 L320	T306-M312 HydrophobicContact CG2-CE 3.92Å; T306-M312 HydrophobicContact CG2-SD 4.3Å; T306-M312 WeakPolarHBondContact O-CE 3.4Å; Q309-M312 WeakPolarHBondContact O-CG 3.08Å; M312-K316 HydrophobicContact SD-CB 4.37Å; M312-L320 HydrophobicContact CE-CD2 4.05Å
313	S	85.6	Confident	85.5	Confident	61 Å²	61	66.7 Å²	66.7	43%	0.427	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-69	146.5	169.1	66.4	0	0	0	0	111	I315 K316 R317	S313-I315 PolarHBondContact O-N 3.21Å; S313-K316 PolarHBondContact O-N 3.34Å; S313-K316 VanDerWaalsContact O-N 3.08Å; S313-K316 WeakPolarHBondContact OG-CG 3.5Å; S313-R317 PolarHBondContact O-N 3.38Å; S313-R317 VanDerWaalsContact O-N 3.16Å
314	V	87.7	Confident	85.6	Confident	111 Å²	111	65.7 Å²	65.7	67%	0.673	35%	0.349	S	S	*	.	H	α-helix	trans	-55.2	-40.7	-178.8	179.6	0	0	0	0	111.5	K316 R317 I318	V314-K316 PolarHBondContact O-N 3.32Å; V314-R317 WeakPolarHBondContact O-CB 3.22Å; V314-R317 PolarHBondContact O-N 3.26Å; V314-I318 HydrophobicContact CG1-CD1 3.94Å; V314-I318 HydrophobicContact CG1-CG1 4.43Å; V314-I318 WeakPolarHBondContact O-CG1 3.33Å; V314-I318 PolarHBondContact O-N 2.92Å
315	I	88.6	Confident	85.8	Confident	120 Å²	120	69.1 Å²	69.1	62%	0.615	37%	0.367	S	S	*	.	H	α-helix	trans	-60.2	-45.3	178.6	-61.8	170.8	0	0	0	111.3	S313 R317 I318 I319	S313-I315 PolarHBondContact O-N 3.21Å; I315-R317 VanDerWaalsContact C-N 3.3Å; I315-R317 PolarHBondContact O-N 2.9Å; I315-I318 PolarHBondContact O-N 3.44Å; I315-I319 HydrophobicContact CG2-CD1 3.89Å; I315-I319 WeakPolarHBondContact O-CG1 3.43Å; I315-I319 PolarHBondContact O-N 2.81Å
316	K	86	Confident	86.2	Confident	105 Å²	105	69.7 Å²	69.7	46%	0.457	37%	0.371	S	S	.	.	H	α-helix	trans	-63.1	-38.9	178	-73.9	179.2	179	-178.8	0	111.7	M312 S313 V314 I319 L320 W397	M312-K316 HydrophobicContact SD-CB 4.37Å; S313-K316 PolarHBondContact O-N 3.34Å; S313-K316 VanDerWaalsContact O-N 3.08Å; S313-K316 WeakPolarHBondContact OG-CG 3.5Å; V314-K316 PolarHBondContact O-N 3.32Å; K316-I319 PolarHBondContact O-N 3.35Å; K316-L320 WeakPolarHBondContact O-CB 3.47Å; K316-L320 PolarHBondContact O-N 3.34Å; K316-W397 HydrophobicContact CB-CZ3 4.3Å; K316-W397 HydrophobicContact CG-CE3 4.38Å; K316-W397 HydrophobicContact CG-CH2 4.21Å; K316-W397 HydrophobicContact CG-CZ3 3.73Å
317	R	88.2	Confident	86.7	Confident	130 Å²	130	69 Å²	69	49%	0.491	37%	0.367	S	S	.	.	H	α-helix	trans	-64.2	-43.7	176.4	-165	177.4	-154.6	-102	4.2	112	S313 V314 I315 L320 H321	S313-R317 PolarHBondContact O-N 3.38Å; S313-R317 VanDerWaalsContact O-N 3.16Å; V314-R317 WeakPolarHBondContact O-CB 3.22Å; V314-R317 PolarHBondContact O-N 3.26Å; I315-R317 VanDerWaalsContact C-N 3.3Å; I315-R317 PolarHBondContact O-N 2.9Å; R317-L320 PolarHBondContact O-N 2.89Å; R317-H321 PolarHBondContact NH1-NE2 3.27Å; R317-H321 PolarHBondContact O-CD2 3.07Å; R317-H321 PolarHBondContact O-N 3.23Å
318	I	91.5	Very high	87.1	Confident	103 Å²	103	69.4 Å²	69.4	53%	0.528	37%	0.367	S	S	.	.	H	α-helix	trans	-61.6	-47.4	176.3	-68.4	169.6	0	0	0	110.6	V314 I315 L320 H321 L322	V314-I318 HydrophobicContact CG1-CD1 3.94Å; V314-I318 HydrophobicContact CG1-CG1 4.43Å; V314-I318 WeakPolarHBondContact O-CG1 3.33Å; V314-I318 PolarHBondContact O-N 2.92Å; I315-I318 PolarHBondContact O-N 3.44Å; I318-L320 VanDerWaalsContact C-N 3.28Å; I318-L320 PolarHBondContact O-N 2.93Å; I318-H321 PolarHBondContact O-N 2.99Å; I318-L322 VanDerWaalsContact O-CB 3.27Å; I318-L322 WeakPolarHBondContact O-CB 3.31Å; I318-L322 PolarHBondContact O-N 2.83Å
319	I	91.7	Very high	87.6	Confident	39 Å²	39	68.5 Å²	68.5	20%	0.2	37%	0.366	C	S	.	.	H	α-helix	trans	-58.7	-41.8	178.2	-71	167.3	0	0	0	111.2	I315 K316 L322 N323 F390 T394 W397	I315-I319 HydrophobicContact CG2-CD1 3.89Å; I315-I319 WeakPolarHBondContact O-CG1 3.43Å; I315-I319 PolarHBondContact O-N 2.81Å; K316-I319 PolarHBondContact O-N 3.35Å; I319-L322 PolarHBondContact O-N 3.36Å; I319-N323 WeakPolarHBondContact O-CB 3.34Å; I319-N323 PolarHBondContact O-N 2.78Å; I319-F390 HydrophobicContact CG2-CZ 3.98Å; I319-T394 HydrophobicContact CG2-CG2 3.8Å; I319-W397 HydrophobicContact CB-CZ3 4.18Å; I319-W397 HydrophobicContact CD1-CH2 3.52Å; I319-W397 HydrophobicContact CD1-CZ3 3.57Å; I319-W397 HydrophobicContact CG1-CZ3 4.48Å; I319-W397 HydrophobicContact CG2-CE3 4.24Å; I319-W397 HydrophobicContact CG2-CZ3 3.93Å
320	L	90	Very high	88.4	Confident	21 Å²	21	66.8 Å²	66.8	11%	0.11	36%	0.358	C	S	.	.	H	α-helix	trans	-64.3	-47	178.4	-178.3	64.5	0	0	0	112.4	Y303 T306 V307 M312 K316 R317 I318 N323 F324	Y303-L320 HydrophobicContact CD2-CD1 3.73Å; Y303-L320 HydrophobicContact CD2-CD2 4.32Å; Y303-L320 HydrophobicContact CD2-CG 3.78Å; Y303-L320 HydrophobicContact CE2-CD1 4.26Å; Y303-L320 HydrophobicContact CE2-CD2 4.34Å; Y303-L320 HydrophobicContact CE2-CG 3.8Å; T306-L320 HydrophobicContact CG2-CD1 4.3Å; T306-L320 HydrophobicContact CG2-CD2 3.7Å; V307-L320 HydrophobicContact CG2-CD2 3.53Å; M312-L320 HydrophobicContact CE-CD2 4.05Å; K316-L320 WeakPolarHBondContact O-CB 3.47Å; K316-L320 PolarHBondContact O-N 3.34Å; R317-L320 PolarHBondContact O-N 2.89Å; I318-L320 VanDerWaalsContact C-N 3.28Å; I318-L320 PolarHBondContact O-N 2.93Å; L320-N323 PolarHBondContact O-N 3.22Å; L320-F324 PolarHBondContact O-N 2.98Å
321	H	92.2	Very high	89.9	Confident	52 Å²	52	62.2 Å²	62.2	24%	0.241	33%	0.326	C	S	.	.	H	α-helix	trans	-65.1	-40.6	176.1	-70.4	-54	0	0	0	111.8	Y303 R317 I318 N323 F324 I325	Y303-H321 AromaticContact CZ-ND1 3.93Å; Y303-H321 PolarHBondContact OH-CE1 3.04Å; Y303-H321 VanDerWaalsContact OH-CE1 3.26Å; Y303-H321 PolarHBondContact OH-ND1 3.4Å; R317-H321 PolarHBondContact NH1-NE2 3.27Å; R317-H321 PolarHBondContact O-CD2 3.07Å; R317-H321 PolarHBondContact O-N 3.23Å; I318-H321 PolarHBondContact O-N 2.99Å; H321-N323 VanDerWaalsContact C-N 3.28Å; H321-N323 PolarHBondContact O-N 3.11Å; H321-F324 PolarHBondContact O-N 3.28Å; H321-I325 WeakPolarHBondContact O-CG1 3.42Å; H321-I325 PolarHBondContact O-N 3.38Å
322	L	92.6	Very high	90.9	Very high	84 Å²	84	59.2 Å²	59.2	44%	0.44	30%	0.302	S	S	.	.	H	α-helix	trans	-61.8	-38	176.5	-170.7	64.7	0	0	0	111.2	I318 I319 F324 I325 C326 F390	I318-L322 VanDerWaalsContact O-CB 3.27Å; I318-L322 WeakPolarHBondContact O-CB 3.31Å; I318-L322 PolarHBondContact O-N 2.83Å; I319-L322 PolarHBondContact O-N 3.36Å; L322-F324 PolarHBondContact O-N 3.44Å; L322-I325 PolarHBondContact O-N 3.21Å; L322-C326 WeakPolarHBondContact O-CB 3.39Å; L322-C326 PolarHBondContact O-N 2.91Å; L322-F390 HydrophobicContact CB-CE1 4.15Å; L322-F390 HydrophobicContact CB-CZ 4.16Å; L322-F390 HydrophobicContact CD2-CE1 4.22Å; L322-F390 HydrophobicContact CD2-CE2 4.29Å; L322-F390 HydrophobicContact CD2-CZ 3.8Å; L322-F390 HydrophobicContact CG-CE1 4.03Å; L322-F390 HydrophobicContact CG-CZ 4.08Å
323	N	92.5	Very high	91.8	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.021	29%	0.292	C	S	.	.	H	α-helix	trans	-64.7	-32.5	179.3	-174.5	17.1	0	0	0	112.3	I319 L320 H321 F390 R391 T394 Y443	I319-N323 WeakPolarHBondContact O-CB 3.34Å; I319-N323 PolarHBondContact O-N 2.78Å; L320-N323 PolarHBondContact O-N 3.22Å; H321-N323 VanDerWaalsContact C-N 3.28Å; H321-N323 PolarHBondContact O-N 3.11Å; N323-F390 VanDerWaalsContact CA-CE1 3.49Å; N323-F390 HydrophobicContact CB-CD1 4.33Å; N323-F390 HydrophobicContact CB-CE1 3.74Å; N323-R391 PolarHBondContact O-NH2 2.87Å; N323-R391 WeakPolarHBondContact OD1-CG 3.48Å; N323-T394 PolarHBondContact ND2-OG1 2.97Å; N323-Y443 PolarHBondContact ND2-OH 3.39Å
324	F	92.7	Very high	92.2	Very high	15 Å²	15	54.7 Å²	54.7	7%	0.066	27%	0.273	C	S	.	.	H	α-helix	trans	-76.4	-38.8	177	-167.4	-96.2	0	0	0	112.6	F299 Y303 L320 H321 L322 Q555 C558 F559 L562	F299-F324 AromaticContact CE1-CD2 3.87Å; F299-F324 HydrophobicContact CE1-CD2 3.87Å; F299-F324 HydrophobicContact CE1-CE2 4.38Å; Y303-F324 HydrophobicContact CD2-CB 4.28Å; Y303-F324 HydrophobicContact CD2-CD2 4.21Å; Y303-F324 HydrophobicContact CD2-CG 4.47Å; Y303-F324 HydrophobicContact CE2-CB 3.95Å; Y303-F324 HydrophobicContact CE2-CD2 4.39Å; Y303-F324 HydrophobicContact CE2-CG 4.24Å; Y303-F324 HydrophobicContact CG-CD2 4.36Å; L320-F324 PolarHBondContact O-N 2.98Å; H321-F324 PolarHBondContact O-N 3.28Å; L322-F324 PolarHBondContact O-N 3.44Å; F324-Q555 PolarHBondContact O-NE2 2.93Å; F324-C558 HydrophobicContact CE2-CB 4.35Å; F324-F559 HydrophobicContact CD1-CE1 4.38Å; F324-F559 AromaticContact CE1-CD1 3.69Å; F324-F559 HydrophobicContact CE1-CD1 3.69Å; F324-F559 AromaticContact CE1-CE1 3.25Å; F324-F559 HydrophobicContact CE1-CE1 3.25Å; F324-F559 AromaticContact CE1-CZ 3.8Å; F324-F559 HydrophobicContact CE1-CZ 3.8Å; F324-F559 AromaticContact CZ-CD1 3.49Å; F324-F559 HydrophobicContact CZ-CD1 3.49Å; F324-F559 VanDerWaalsContact CZ-CD1 3.49Å; F324-F559 AromaticContact CZ-CE1 3.59Å; F324-F559 HydrophobicContact CZ-CE1 3.59Å; F324-F559 HydrophobicContact CZ-CG 4.11Å; F324-F559 HydrophobicContact CZ-CZ 4.24Å; F324-L562 HydrophobicContact CE1-CD2 4.27Å; F324-L562 HydrophobicContact CE2-CD2 4.22Å; F324-L562 HydrophobicContact CZ-CD2 3.75Å
325	I	93.3	Very high	92.4	Very high	91 Å²	91	50.7 Å²	50.7	47%	0.467	25%	0.248	S	C	.	.	H	α-helix	trans	-88	-36.1	-173.9	-63.4	168.1	0	0	0	112.9	H321 L322 P327 I328	H321-I325 WeakPolarHBondContact O-CG1 3.42Å; H321-I325 PolarHBondContact O-N 3.38Å; L322-I325 PolarHBondContact O-N 3.21Å; I325-P327 VanDerWaalsContact O-N 3.15Å; I325-I328 VanDerWaalsContact O-CB 3.29Å; I325-I328 WeakPolarHBondContact O-CB 3.18Å; I325-I328 WeakPolarHBondContact O-CG1 3.34Å; I325-I328 PolarHBondContact O-N 3.33Å
326	C	93.1	Very high	92.6	Very high	20 Å²	20	46.6 Å²	46.6	14%	0.135	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49	-42.2	-172.4	-178.3	0	0	0	0	115	L322 I328 I329 P330 V387	L322-C326 WeakPolarHBondContact O-CB 3.39Å; L322-C326 PolarHBondContact O-N 2.91Å; C326-I328 PolarHBondContact O-N 3.17Å; C326-I329 WeakPolarHBondContact O-CB 3.22Å; C326-I329 PolarHBondContact O-N 2.64Å; C326-I329 VanDerWaalsContact O-N 3.14Å; C326-P330 VanDerWaalsContact O-CD 3.24Å; C326-P330 WeakPolarHBondContact O-CD 3.27Å; C326-V387 WeakPolarHBondContact SG-CG2 3.5Å
327	P	94.7	Very high	92.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-16.1	178.4	-14.8	25.1	0	0	0	115.8	I325 I329 P330 I331 V387 L551	I325-P327 VanDerWaalsContact O-N 3.15Å; P327-I329 VanDerWaalsContact C-N 3.26Å; P327-I329 PolarHBondContact O-N 3.49Å; P327-P330 VanDerWaalsContact O-CD 3.31Å; P327-P330 WeakPolarHBondContact O-CD 3.29Å; P327-P330 VanDerWaalsContact O-CG 3.28Å; P327-P330 WeakPolarHBondContact O-CG 3.42Å; P327-I331 VanDerWaalsContact O-CD1 3.32Å; P327-I331 WeakPolarHBondContact O-CD1 3.37Å; P327-I331 VanDerWaalsContact O-CG1 3.25Å; P327-I331 WeakPolarHBondContact O-CG1 3.08Å; P327-I331 PolarHBondContact O-N 3.06Å; P327-V387 HydrophobicContact CB-CG1 3.88Å; P327-V387 HydrophobicContact CG-CG1 3.75Å; P327-L551 HydrophobicContact CB-CD1 4.01Å; P327-L551 HydrophobicContact CB-CG 4.3Å
328	I	95.4	Very high	93	Very high	52 Å²	52	40.9 Å²	40.9	27%	0.267	22%	0.215	S	C	.	.	H	α-helix	trans	-67.3	-35	175.2	-59.1	171.2	0	0	0	109.6	I325 C326 I331 L332 Q555 F559	I325-I328 VanDerWaalsContact O-CB 3.29Å; I325-I328 WeakPolarHBondContact O-CB 3.18Å; I325-I328 WeakPolarHBondContact O-CG1 3.34Å; I325-I328 PolarHBondContact O-N 3.33Å; C326-I328 PolarHBondContact O-N 3.17Å; I328-I331 WeakPolarHBondContact O-CB 3.36Å; I328-I331 PolarHBondContact O-N 3.23Å; I328-I331 VanDerWaalsContact O-N 3.16Å; I328-L332 HydrophobicContact CG2-CD1 3.78Å; I328-L332 HydrophobicContact CG2-CD2 4.41Å; I328-L332 HydrophobicContact CG2-CG 3.87Å; I328-L332 VanDerWaalsContact O-CG 3.3Å; I328-L332 WeakPolarHBondContact O-CG 3.37Å; I328-L332 PolarHBondContact O-N 3.43Å; I328-Q555 HydrophobicContact CG1-CG 4.49Å; I328-F559 HydrophobicContact CD1-CE2 4.24Å; I328-F559 HydrophobicContact CD1-CZ 3.84Å
329	I	94.5	Very high	92.9	Very high	84 Å²	84	36.6 Å²	36.6	43%	0.431	19%	0.193	S	C	.	.	H	α-helix	trans	-56.2	-57.2	-178.4	-56.4	172.3	0	0	0	112.1	C326 P327 I331 L332 L333 V383	C326-I329 WeakPolarHBondContact O-CB 3.22Å; C326-I329 PolarHBondContact O-N 2.64Å; C326-I329 VanDerWaalsContact O-N 3.14Å; P327-I329 VanDerWaalsContact C-N 3.26Å; P327-I329 PolarHBondContact O-N 3.49Å; I329-I331 VanDerWaalsContact C-N 3.32Å; I329-I331 PolarHBondContact O-N 2.85Å; I329-L332 PolarHBondContact O-N 2.89Å; I329-L333 HydrophobicContact CG2-CD1 4.44Å; I329-L333 WeakPolarHBondContact O-CG 3.28Å; I329-L333 PolarHBondContact O-N 3.31Å; I329-L333 VanDerWaalsContact O-N 3.12Å; I329-V383 HydrophobicContact CB-CG1 4.48Å; I329-V383 HydrophobicContact CG2-CG1 3.93Å
330	P	94.6	Very high	92.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.4	-36.9	176.2	26.6	-36.9	0	0	0	112.2	C326 P327 L332 L333 W334 V383 S384 V387 L551	C326-P330 VanDerWaalsContact O-CD 3.24Å; C326-P330 WeakPolarHBondContact O-CD 3.27Å; P327-P330 VanDerWaalsContact O-CD 3.31Å; P327-P330 WeakPolarHBondContact O-CD 3.29Å; P327-P330 VanDerWaalsContact O-CG 3.28Å; P327-P330 WeakPolarHBondContact O-CG 3.42Å; P330-L332 VanDerWaalsContact C-N 3.3Å; P330-L332 PolarHBondContact O-N 3.45Å; P330-L333 PolarHBondContact O-N 2.86Å; P330-W334 PolarHBondContact O-N 3.35Å; P330-V383 HydrophobicContact CB-CG1 4.18Å; P330-V383 HydrophobicContact CG-CG1 4.5Å; P330-S384 WeakPolarHBondContact CB-OG 3.46Å; P330-V387 HydrophobicContact CG-CG2 3.82Å; P330-L551 HydrophobicContact CB-CD2 4.01Å; P330-L551 HydrophobicContact CG-CD2 3.43Å; P330-L551 VanDerWaalsContact CG-CD2 3.43Å
331	I	95.5	Very high	92.7	Very high	22 Å²	22	43.7 Å²	43.7	11%	0.113	23%	0.227	C	C	.	.	H	α-helix	trans	-57.7	-44.4	176.8	-67	167.2	0	0	0	110.9	P327 I328 I329 W334 W548 L551 Q555	P327-I331 VanDerWaalsContact O-CD1 3.32Å; P327-I331 WeakPolarHBondContact O-CD1 3.37Å; P327-I331 VanDerWaalsContact O-CG1 3.25Å; P327-I331 WeakPolarHBondContact O-CG1 3.08Å; P327-I331 PolarHBondContact O-N 3.06Å; I328-I331 WeakPolarHBondContact O-CB 3.36Å; I328-I331 PolarHBondContact O-N 3.23Å; I328-I331 VanDerWaalsContact O-N 3.16Å; I329-I331 VanDerWaalsContact C-N 3.32Å; I329-I331 PolarHBondContact O-N 2.85Å; I331-W334 PolarHBondContact O-N 3.14Å; I331-W548 PolarHBondContact O-NE1 2.83Å; I331-L551 HydrophobicContact CD1-CG 4.17Å; I331-L551 HydrophobicContact CG1-CB 4.34Å; I331-L551 HydrophobicContact CG1-CD2 3.99Å; I331-L551 HydrophobicContact CG1-CG 4.01Å; I331-Q555 HydrophobicContact CD1-CB 4.09Å; I331-Q555 HydrophobicContact CD1-CG 4.4Å
332	L	94.7	Very high	92.6	Very high	69 Å²	69	43.9 Å²	43.9	36%	0.361	23%	0.23	S	C	.	.	H	α-helix	trans	-68.9	-33.4	179.3	-64.4	179.5	0	0	0	112.5	I328 I329 P330 W334 L335 I338	I328-L332 HydrophobicContact CG2-CD1 3.78Å; I328-L332 HydrophobicContact CG2-CD2 4.41Å; I328-L332 HydrophobicContact CG2-CG 3.87Å; I328-L332 VanDerWaalsContact O-CG 3.3Å; I328-L332 WeakPolarHBondContact O-CG 3.37Å; I328-L332 PolarHBondContact O-N 3.43Å; I329-L332 PolarHBondContact O-N 2.89Å; P330-L332 VanDerWaalsContact C-N 3.3Å; P330-L332 PolarHBondContact O-N 3.45Å; L332-W334 PolarHBondContact O-N 3.45Å; L332-L335 HydrophobicContact CD2-CD1 4.03Å; L332-L335 WeakPolarHBondContact O-CB 3.22Å; L332-L335 PolarHBondContact O-N 3.18Å; L332-I338 HydrophobicContact CB-CD1 3.78Å; L332-I338 HydrophobicContact CB-CG2 4.44Å; L332-I338 HydrophobicContact CD1-CD1 4.49Å; L332-I338 HydrophobicContact CD2-CD1 3.49Å; L332-I338 VanDerWaalsContact CD2-CD1 3.49Å; L332-I338 HydrophobicContact CG-CD1 4.07Å
333	L	92.7	Very high	92.3	Very high	19 Å²	19	40.6 Å²	40.6	10%	0.099	21%	0.214	C	C	.	.	H	α-helix	trans	-65.7	-17.4	177.5	-74.1	172.7	0	0	0	113.9	I329 P330 T339 F372 I379 R380 V383	I329-L333 HydrophobicContact CG2-CD1 4.44Å; I329-L333 WeakPolarHBondContact O-CG 3.28Å; I329-L333 PolarHBondContact O-N 3.31Å; I329-L333 VanDerWaalsContact O-N 3.12Å; P330-L333 PolarHBondContact O-N 2.86Å; L333-T339 PolarHBondContact O-OG1 2.89Å; L333-F372 HydrophobicContact CD2-CE2 4.01Å; L333-F372 HydrophobicContact CD2-CZ 4.41Å; L333-I379 HydrophobicContact CD1-CG2 4.46Å; L333-R380 HydrophobicContact CB-CG 4.13Å; L333-R380 PolarHBondContact O-NE 3.25Å; L333-R380 PolarHBondContact O-NH2 2.88Å; L333-R380 VanDerWaalsContact O-NH2 3.15Å; L333-V383 HydrophobicContact CD1-CB 4.25Å; L333-V383 HydrophobicContact CD1-CG1 4.23Å; L333-V383 HydrophobicContact CD1-CG2 4.14Å
334	W	93.3	Very high	92	Very high	7 Å²	7	44.8 Å²	44.8	3%	0.027	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-16	172.6	-77.5	93.3	0	0	0	113.2	V248 D249 F250 P330 I331 L332 Y457 W548	V248-W334 HydrophobicContact CG1-CB 4.16Å; V248-W334 WeakPolarHBondContact CG1-O 3.24Å; D249-W334 PolarHBondContact N-O 2.91Å; D249-W334 VanDerWaalsContact O-CZ3 3.26Å; D249-W334 WeakPolarHBondContact O-CZ3 3.32Å; F250-W334 AromaticContact CD1-CE3 3.96Å; F250-W334 HydrophobicContact CD1-CE3 3.96Å; F250-W334 HydrophobicContact CD1-CZ3 4.06Å; F250-W334 HydrophobicContact CE1-CE3 4.27Å; P330-W334 PolarHBondContact O-N 3.35Å; I331-W334 PolarHBondContact O-N 3.14Å; L332-W334 PolarHBondContact O-N 3.45Å; W334-Y457 HydrophobicContact CH2-CE1 4.09Å; W334-Y457 AromaticContact CH2-CZ 3.85Å; W334-Y457 HydrophobicContact CZ2-CE1 4.12Å; W334-W548 HydrophobicContact CB-CG 4.29Å; W334-W548 AromaticContact CD1-CD1 3.59Å; W334-W548 HydrophobicContact CD2-CB 4.35Å; W334-W548 HydrophobicContact CG-CB 4.36Å; W334-W548 AromaticContact CG-CD1 3.47Å; W334-W548 VanDerWaalsContact CG-CD1 3.47Å; W334-W548 HydrophobicContact CG-CG 4.21Å
335	L	93.5	Very high	91.7	Very high	28 Å²	28	46 Å²	46	15%	0.147	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-79.5	124.1	178.9	-56.9	-178.8	0	0	0	109.7	L247 V248 L332 I338 T339	L247-L335 HydrophobicContact CG-CD2 4.25Å; L247-L335 CarbonylContact O-C 3.58Å; L247-L335 WeakPolarHBondContact O-CA 3.36Å; V248-L335 HydrophobicContact CG1-CD2 4.37Å; V248-L335 HydrophobicContact CG2-CD2 3.79Å; L332-L335 HydrophobicContact CD2-CD1 4.03Å; L332-L335 WeakPolarHBondContact O-CB 3.22Å; L332-L335 PolarHBondContact O-N 3.18Å; L335-I338 HydrophobicContact CB-CB 4.28Å; L335-I338 HydrophobicContact CB-CD1 4.01Å; L335-I338 HydrophobicContact CB-CG1 4.08Å; L335-I338 HydrophobicContact CD1-CD1 3.64Å; L335-I338 HydrophobicContact CD1-CG1 4.46Å; L335-I338 HydrophobicContact CG-CD1 4.33Å; L335-I338 PolarHBondContact O-N 3.4Å; L335-T339 WeakPolarHBondContact O-CB 3.47Å; L335-T339 PolarHBondContact O-N 2.95Å; L335-T339 PolarHBondContact O-OG1 3.48Å
336	I	91.5	Very high	91.3	Very high	34 Å²	34	43 Å²	43	17%	0.174	23%	0.231	C	C	.	.	H	α-helix	trans	-56.1	-52.8	177.6	-63.9	166.9	0	0	0	111.7	L247 D249 I338 T339 D340	L247-I336 PolarHBondContact O-N 2.83Å; D249-I336 HydrophobicContact CB-CD1 4.02Å; D249-I336 HydrophobicContact CB-CG1 3.64Å; I336-I338 PolarHBondContact O-N 3.32Å; I336-I338 VanDerWaalsContact O-N 3.13Å; I336-T339 WeakPolarHBondContact O-CB 3.48Å; I336-T339 PolarHBondContact O-N 2.95Å; I336-T339 VanDerWaalsContact O-N 3.07Å; I336-D340 VanDerWaalsContact CG2-OD2 3.31Å; I336-D340 WeakPolarHBondContact CG2-OD2 3.18Å; I336-D340 WeakPolarHBondContact O-CB 3.44Å; I336-D340 PolarHBondContact O-N 2.7Å
337	P	91.7	Very high	90.8	Very high	66 Å²	66	45.5 Å²	45.5	43%	0.429	24%	0.242	S	C	.	.	H	α-helix	trans	-63.2	-29.4	-175.3	24.6	-35.5	0	0	0	113.1	L247 H341	L247-P337 HydrophobicContact CD1-CG 3.89Å; L247-P337 WeakPolarHBondContact O-CD 3.38Å; P337-H341 WeakPolarHBondContact O-CB 3.4Å; P337-H341 PolarHBondContact O-N 2.87Å
338	I	91	Very high	90.2	Very high	49 Å²	49	49.7 Å²	49.7	25%	0.251	27%	0.268	S	S	.	.	H	α-helix	trans	-75.2	-44.2	177.1	-61.6	-177.1	0	0	0	110.2	L332 L335 I336 D340 H341 I342	L332-I338 HydrophobicContact CB-CD1 3.78Å; L332-I338 HydrophobicContact CB-CG2 4.44Å; L332-I338 HydrophobicContact CD1-CD1 4.49Å; L332-I338 HydrophobicContact CD2-CD1 3.49Å; L332-I338 VanDerWaalsContact CD2-CD1 3.49Å; L332-I338 HydrophobicContact CG-CD1 4.07Å; L335-I338 HydrophobicContact CB-CB 4.28Å; L335-I338 HydrophobicContact CB-CD1 4.01Å; L335-I338 HydrophobicContact CB-CG1 4.08Å; L335-I338 HydrophobicContact CD1-CD1 3.64Å; L335-I338 HydrophobicContact CD1-CG1 4.46Å; L335-I338 HydrophobicContact CG-CD1 4.33Å; L335-I338 PolarHBondContact O-N 3.4Å; I336-I338 PolarHBondContact O-N 3.32Å; I336-I338 VanDerWaalsContact O-N 3.13Å; I338-D340 VanDerWaalsContact C-N 3.35Å; I338-H341 PolarHBondContact O-N 3.13Å; I338-I342 HydrophobicContact CG2-CD1 3.72Å; I338-I342 HydrophobicContact CG2-CG1 4.4Å; I338-I342 WeakPolarHBondContact O-CB 3.36Å; I338-I342 VanDerWaalsContact O-CG1 3.24Å; I338-I342 WeakPolarHBondContact O-CG1 3.4Å; I338-I342 PolarHBondContact O-N 3.42Å
339	T	89.6	Confident	89.5	Confident	13 Å²	13	51.1 Å²	51.1	8%	0.08	28%	0.276	C	S	.	.	H	α-helix	trans	-58.2	-48.9	176	-65.7	0	0	0	0	111	L333 L335 I336 I342 S343 F372 L376	L333-T339 PolarHBondContact O-OG1 2.89Å; L335-T339 WeakPolarHBondContact O-CB 3.47Å; L335-T339 PolarHBondContact O-N 2.95Å; L335-T339 PolarHBondContact O-OG1 3.48Å; I336-T339 WeakPolarHBondContact O-CB 3.48Å; I336-T339 PolarHBondContact O-N 2.95Å; I336-T339 VanDerWaalsContact O-N 3.07Å; T339-I342 PolarHBondContact O-N 3.34Å; T339-S343 PolarHBondContact O-N 3.14Å; T339-S343 PolarHBondContact O-OG 3.36Å; T339-F372 HydrophobicContact CG2-CE1 4.21Å; T339-F372 HydrophobicContact CG2-CZ 4.29Å; T339-L376 HydrophobicContact CG2-CD1 3.2Å
340	D	88.6	Confident	88.7	Confident	81 Å²	81	49.4 Å²	49.4	43%	0.433	27%	0.269	S	S	.	.	H	α-helix	trans	-65.9	-38.7	179	-68.8	-11.4	0	0	0	111.5	I336 I338 S343 N344	I336-D340 VanDerWaalsContact CG2-OD2 3.31Å; I336-D340 WeakPolarHBondContact CG2-OD2 3.18Å; I336-D340 WeakPolarHBondContact O-CB 3.44Å; I336-D340 PolarHBondContact O-N 2.7Å; I338-D340 VanDerWaalsContact C-N 3.35Å; D340-S343 WeakPolarHBondContact CA-OG 3.37Å; D340-S343 PolarHBondContact O-OG 3.38Å; D340-N344 WeakPolarHBondContact O-CB 3.32Å; D340-N344 PolarHBondContact O-N 3.24Å; D340-N344 PolarHBondContact O-ND2 2.87Å; D340-N344 VanDerWaalsContact O-ND2 3.16Å
341	H	89.9	Confident	88	Confident	128 Å²	128	56.8 Å²	56.8	59%	0.593	30%	0.303	S	S	*	.	H	α-helix	trans	-65.3	-41.5	175.2	-175.5	67.7	0	0	0	112	P337 I338 S345	P337-H341 WeakPolarHBondContact O-CB 3.4Å; P337-H341 PolarHBondContact O-N 2.87Å; I338-H341 PolarHBondContact O-N 3.13Å; H341-S345 WeakPolarHBondContact O-CB 3.48Å; H341-S345 PolarHBondContact O-N 3.5Å; H341-S345 PolarHBondContact O-OG 2.73Å
342	I	88.3	Confident	87.1	Confident	56 Å²	56	57.6 Å²	57.6	29%	0.287	31%	0.311	S	S	.	.	H	α-helix	trans	-66.2	-46.4	176.5	-70.8	166	0	0	0	110.3	I338 T339 S345 L346 F372	I338-I342 HydrophobicContact CG2-CD1 3.72Å; I338-I342 HydrophobicContact CG2-CG1 4.4Å; I338-I342 WeakPolarHBondContact O-CB 3.36Å; I338-I342 VanDerWaalsContact O-CG1 3.24Å; I338-I342 WeakPolarHBondContact O-CG1 3.4Å; I338-I342 PolarHBondContact O-N 3.42Å; T339-I342 PolarHBondContact O-N 3.34Å; I342-S345 PolarHBondContact O-N 2.78Å; I342-L346 HydrophobicContact CG2-CD1 3.74Å; I342-L346 HydrophobicContact CG2-CG 4.38Å; I342-L346 WeakPolarHBondContact O-CB 3.48Å; I342-L346 VanDerWaalsContact O-CG 3.28Å; I342-L346 WeakPolarHBondContact O-CG 3.28Å; I342-L346 PolarHBondContact O-N 2.85Å; I342-F372 HydrophobicContact CB-CE1 4.21Å; I342-F372 HydrophobicContact CB-CZ 4.12Å; I342-F372 HydrophobicContact CG2-CD1 4.26Å; I342-F372 HydrophobicContact CG2-CE1 3.76Å; I342-F372 HydrophobicContact CG2-CE2 4.11Å; I342-F372 HydrophobicContact CG2-CZ 3.67Å
343	S	86.7	Confident	85.9	Confident	15 Å²	15	60.2 Å²	60.2	11%	0.105	33%	0.325	C	S	.	.	H	α-helix	trans	-62.8	-45.2	178.9	61.2	0	0	0	0	111.3	T339 D340 S345 L346 I347	T339-S343 PolarHBondContact O-N 3.14Å; T339-S343 PolarHBondContact O-OG 3.36Å; D340-S343 WeakPolarHBondContact CA-OG 3.37Å; D340-S343 PolarHBondContact O-OG 3.38Å; S343-S345 PolarHBondContact O-N 2.9Å; S343-L346 PolarHBondContact O-N 2.94Å; S343-I347 WeakPolarHBondContact O-CD1 3.39Å; S343-I347 VanDerWaalsContact O-CG1 3.23Å; S343-I347 WeakPolarHBondContact O-CG1 3.35Å; S343-I347 PolarHBondContact O-N 3.38Å
344	N	87.3	Confident	84.7	Confident	92 Å²	92	64.4 Å²	64.4	49%	0.492	36%	0.356	S	S	.	.	H	α-helix	trans	-65.1	-39.2	176.6	-69.4	-21.5	0	0	0	111.8	D340 I347 T348	D340-N344 WeakPolarHBondContact O-CB 3.32Å; D340-N344 PolarHBondContact O-N 3.24Å; D340-N344 PolarHBondContact O-ND2 2.87Å; D340-N344 VanDerWaalsContact O-ND2 3.16Å; N344-I347 PolarHBondContact O-N 3.45Å; N344-T348 WeakPolarHBondContact O-CB 3.33Å; N344-T348 WeakPolarHBondContact O-CG2 3.34Å; N344-T348 PolarHBondContact O-N 3.44Å; N344-T348 PolarHBondContact O-OG1 2.89Å
345	S	85.9	Confident	83.2	Confident	40 Å²	40	65.8 Å²	65.8	28%	0.28	36%	0.364	S	S	.	.	H	α-helix	trans	-63.7	-40.6	174.7	-61.2	0	0	0	0	111.8	H341 I342 S343 T348 L349	H341-S345 WeakPolarHBondContact O-CB 3.48Å; H341-S345 PolarHBondContact O-N 3.5Å; H341-S345 PolarHBondContact O-OG 2.73Å; I342-S345 PolarHBondContact O-N 2.78Å; S343-S345 PolarHBondContact O-N 2.9Å; S345-T348 VanDerWaalsContact CA-OG1 3.32Å; S345-T348 WeakPolarHBondContact CA-OG1 3.37Å; S345-T348 PolarHBondContact O-OG1 3.21Å; S345-L349 WeakPolarHBondContact O-CB 3.31Å; S345-L349 WeakPolarHBondContact O-CD1 3.3Å; S345-L349 WeakPolarHBondContact O-CG 3.49Å; S345-L349 PolarHBondContact O-N 3.31Å
346	L	84.2	Confident	81.9	Confident	29 Å²	29	69.8 Å²	69.8	15%	0.152	38%	0.384	C	S	.	.	H	α-helix	trans	-66.9	-41	176.7	-72.9	166.1	0	0	0	112.1	I342 S343 T350 V368 F372	I342-L346 HydrophobicContact CG2-CD1 3.74Å; I342-L346 HydrophobicContact CG2-CG 4.38Å; I342-L346 WeakPolarHBondContact O-CB 3.48Å; I342-L346 VanDerWaalsContact O-CG 3.28Å; I342-L346 WeakPolarHBondContact O-CG 3.28Å; I342-L346 PolarHBondContact O-N 2.85Å; S343-L346 PolarHBondContact O-N 2.94Å; L346-T350 WeakPolarHBondContact O-CB 3.31Å; L346-T350 PolarHBondContact O-N 3.4Å; L346-T350 PolarHBondContact O-OG1 3.33Å; L346-V368 HydrophobicContact CD2-CG1 4.38Å; L346-F372 HydrophobicContact CD1-CB 4.23Å; L346-F372 HydrophobicContact CD1-CD1 4.21Å; L346-F372 HydrophobicContact CD1-CG 4.21Å
347	I	82.2	Confident	80.9	Confident	72 Å²	72	76.5 Å²	76.5	37%	0.369	42%	0.415	S	S	.	.	H	α-helix	trans	-66.5	-44.6	176.8	-66.1	163.2	0	0	0	110.8	S343 N344 L349 T350 H351 M373	S343-I347 WeakPolarHBondContact O-CD1 3.39Å; S343-I347 VanDerWaalsContact O-CG1 3.23Å; S343-I347 WeakPolarHBondContact O-CG1 3.35Å; S343-I347 PolarHBondContact O-N 3.38Å; N344-I347 PolarHBondContact O-N 3.45Å; I347-L349 PolarHBondContact O-N 3.32Å; I347-T350 WeakPolarHBondContact O-CB 3.31Å; I347-T350 PolarHBondContact O-N 2.86Å; I347-T350 VanDerWaalsContact O-N 3.12Å; I347-H351 PolarHBondContact O-N 2.93Å; I347-M373 HydrophobicContact CD1-CE 4.05Å; I347-M373 HydrophobicContact CD1-SD 3.89Å; I347-M373 HydrophobicContact CG1-SD 4.24Å
348	T	83.8	Confident	80.2	Confident	88 Å²	88	79.5 Å²	79.5	54%	0.54	42%	0.421	S	S	.	.	H	α-helix	trans	-63.5	-39.8	177.4	52.3	0	0	0	0	112.1	N344 S345 T350 H351 S352	N344-T348 WeakPolarHBondContact O-CB 3.33Å; N344-T348 WeakPolarHBondContact O-CG2 3.34Å; N344-T348 PolarHBondContact O-N 3.44Å; N344-T348 PolarHBondContact O-OG1 2.89Å; S345-T348 VanDerWaalsContact CA-OG1 3.32Å; S345-T348 WeakPolarHBondContact CA-OG1 3.37Å; S345-T348 PolarHBondContact O-OG1 3.21Å; T348-T350 VanDerWaalsContact C-N 3.31Å; T348-T350 PolarHBondContact O-N 3.29Å; T348-H351 CarbonylContact O-C 3.55Å; T348-H351 PolarHBondContact O-N 3.49Å; T348-S352 WeakPolarHBondContact O-CB 3.41Å; T348-S352 PolarHBondContact O-N 2.91Å
349	L	80.4	Confident	79.6	Confident	81 Å²	81	81.7 Å²	81.7	42%	0.424	44%	0.438	S	S	.	.	H	α-helix	trans	-62.9	-38.2	172.2	-72.6	169.6	0	0	0	111.9	S345 I347 H351 S352 I365	S345-L349 WeakPolarHBondContact O-CB 3.31Å; S345-L349 WeakPolarHBondContact O-CD1 3.3Å; S345-L349 WeakPolarHBondContact O-CG 3.49Å; S345-L349 PolarHBondContact O-N 3.31Å; I347-L349 PolarHBondContact O-N 3.32Å; L349-H351 VanDerWaalsContact C-N 3.33Å; L349-H351 PolarHBondContact O-N 3.27Å; L349-S352 PolarHBondContact O-N 2.96Å; L349-S352 PolarHBondContact O-OG 3Å; L349-I365 HydrophobicContact CB-CG2 4.31Å
350	T	78	Confident	79.3	Confident	48 Å²	48	88.3 Å²	88.3	29%	0.294	47%	0.466	S	S	.	.	H	α-helix	trans	-63.2	-38.3	175.9	-54.7	0	0	0	0	111.7	L346 I347 T348 N366	L346-T350 WeakPolarHBondContact O-CB 3.31Å; L346-T350 PolarHBondContact O-N 3.4Å; L346-T350 PolarHBondContact O-OG1 3.33Å; I347-T350 WeakPolarHBondContact O-CB 3.31Å; I347-T350 PolarHBondContact O-N 2.86Å; I347-T350 VanDerWaalsContact O-N 3.12Å; T348-T350 VanDerWaalsContact C-N 3.31Å; T348-T350 PolarHBondContact O-N 3.29Å; T350-N366 HydrophobicContact CG2-CB 4.47Å
351	H	78.4	Confident	78.9	Confident	156 Å²	156	87.9 Å²	87.9	72%	0.722	46%	0.464	S	S	*	.	H	α-helix	trans	-87.5	-7.9	178.6	-161.3	-69.5	0	0	0	113.5	I347 T348 L349 N353	I347-H351 PolarHBondContact O-N 2.93Å; T348-H351 CarbonylContact O-C 3.55Å; T348-H351 PolarHBondContact O-N 3.49Å; L349-H351 VanDerWaalsContact C-N 3.33Å; L349-H351 PolarHBondContact O-N 3.27Å; H351-N353 PolarHBondContact O-N 3.28Å
352	S	76.8	Confident	78.5	Confident	39 Å²	39	84.1 Å²	84.1	27%	0.273	45%	0.448	S	S	.	.			trans	-70.6	115.6	-177.5	69.3	0	0	0	0	111.4	T348 L349 S354 L355	T348-S352 WeakPolarHBondContact O-CB 3.41Å; T348-S352 PolarHBondContact O-N 2.91Å; L349-S352 PolarHBondContact O-N 2.96Å; L349-S352 PolarHBondContact O-OG 3Å; S352-S354 PolarHBondContact O-N 3.5Å; S352-L355 PolarHBondContact O-N 3.46Å; S352-L355 WeakPolarHBondContact OG-CD1 3.38Å
353	N	69.5	Low	78.2	Confident	124 Å²	124	85.9 Å²	85.9	66%	0.663	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-58	-23.6	-176.1	-74.5	-3.9	0	0	0	113.9	H351 L355 I356	H351-N353 PolarHBondContact O-N 3.28Å; N353-L355 PolarHBondContact O-N 3.16Å; N353-I356 HydrophobicContact CB-CD1 3.94Å; N353-I356 WeakPolarHBondContact O-CB 3.38Å; N353-I356 WeakPolarHBondContact O-CD1 3.41Å; N353-I356 VanDerWaalsContact O-CG1 3.28Å; N353-I356 WeakPolarHBondContact O-CG1 3.44Å; N353-I356 PolarHBondContact O-N 3.34Å
354	S	66.9	Low	78	Confident	106 Å²	106	88.6 Å²	88.6	74%	0.741	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-64.3	-23.8	-179.3	-177.1	0	0	0	0	113.7	S352	S352-S354 PolarHBondContact O-N 3.5Å
355	L	62	Low	77.9	Confident	37 Å²	37	85.7 Å²	85.7	19%	0.194	46%	0.458	C	S	.	.	G	3₁₀ helix	trans	-87.4	-5.7	179.7	-82.4	102.4	0	0	0	113.8	S352 N353 E357 K358 L361 I362 I365	S352-L355 PolarHBondContact O-N 3.46Å; S352-L355 WeakPolarHBondContact OG-CD1 3.38Å; N353-L355 PolarHBondContact O-N 3.16Å; L355-E357 PolarHBondContact O-N 3.35Å; L355-E357 VanDerWaalsContact O-N 3.08Å; L355-K358 PolarHBondContact O-N 3.02Å; L355-L361 HydrophobicContact CD2-CB 4.13Å; L355-I362 VanDerWaalsContact C-CD1 3.45Å; L355-I362 HydrophobicContact CB-CD1 4.29Å; L355-I362 HydrophobicContact CB-CG1 3.92Å; L355-I362 WeakPolarHBondContact O-CD1 3.26Å; L355-I365 HydrophobicContact CD2-CD1 3.55Å
356	I	66.2	Low	77.7	Confident	112 Å²	112	87.9 Å²	87.9	57%	0.574	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-28.9	-178.5	-65	169.3	0	0	0	111.7	N353 K358	N353-I356 HydrophobicContact CB-CD1 3.94Å; N353-I356 WeakPolarHBondContact O-CB 3.38Å; N353-I356 WeakPolarHBondContact O-CD1 3.41Å; N353-I356 VanDerWaalsContact O-CG1 3.28Å; N353-I356 WeakPolarHBondContact O-CG1 3.44Å; N353-I356 PolarHBondContact O-N 3.34Å; I356-K358 PolarHBondContact O-N 2.93Å
357	E	71.6	Confident	77.6	Confident	175 Å²	175	93 Å²	93	82%	0.818	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-15.1	178.2	-60.6	-171.1	166.5	0	0	114.2	L355	L355-E357 PolarHBondContact O-N 3.35Å; L355-E357 VanDerWaalsContact O-N 3.08Å
358	K	77.7	Confident	77.7	Confident	129 Å²	129	92.7 Å²	92.7	56%	0.561	49%	0.489	S	S	*	.			trans	-125.5	85.7	-176.6	-67.2	-178.9	-178.3	174.4	0	111.2	L355 I356 F360 L361 I362	L355-K358 PolarHBondContact O-N 3.02Å; I356-K358 PolarHBondContact O-N 2.93Å; K358-F360 PolarHBondContact O-N 3.45Å; K358-F360 VanDerWaalsContact O-N 3.16Å; K358-L361 HydrophobicContact CB-CB 4.22Å; K358-L361 HydrophobicContact CB-CD1 3.99Å; K358-L361 HydrophobicContact CB-CG 4.26Å; K358-L361 HydrophobicContact CD-CD1 3.56Å; K358-L361 HydrophobicContact CG-CD1 4.41Å; K358-L361 PolarHBondContact O-N 3.01Å; K358-L361 VanDerWaalsContact O-N 3.1Å; K358-I362 PolarHBondContact O-N 2.95Å
359	P	77.8	Confident	77.5	Confident	94 Å²	94	88.8 Å²	88.8	61%	0.61	47%	0.465	S	S	*	.	H	α-helix	trans	-60.6	-32.1	-174.2	23.6	-34.3	0	0	0	113.3	I362 T363	P359-I362 PolarHBondContact O-N 3.44Å; P359-T363 WeakPolarHBondContact O-CB 3.38Å; P359-T363 PolarHBondContact O-N 3.42Å; P359-T363 PolarHBondContact O-OG1 3.16Å
360	F	82.2	Confident	77.6	Confident	152 Å²	152	88.4 Å²	88.4	67%	0.667	46%	0.464	S	S	*	.	H	α-helix	trans	-64.4	-42.4	177.7	-177	-108	0	0	0	112.5	K358 T363 I364	K358-F360 PolarHBondContact O-N 3.45Å; K358-F360 VanDerWaalsContact O-N 3.16Å; F360-T363 PolarHBondContact O-N 3.2Å; F360-I364 HydrophobicContact CD1-CD1 3.66Å; F360-I364 HydrophobicContact CD2-CD1 4.39Å; F360-I364 HydrophobicContact CE1-CD1 3.19Å; F360-I364 HydrophobicContact CE1-CG1 4.41Å; F360-I364 HydrophobicContact CE2-CD1 3.99Å; F360-I364 HydrophobicContact CG-CD1 4.26Å; F360-I364 HydrophobicContact CZ-CD1 3.39Å; F360-I364 HydrophobicContact CZ-CG1 4.36Å; F360-I364 WeakPolarHBondContact O-CG1 3.44Å; F360-I364 PolarHBondContact O-N 3.45Å
361	L	80.7	Confident	77.7	Confident	72 Å²	72	88.6 Å²	88.6	38%	0.377	46%	0.462	S	S	.	.	H	α-helix	trans	-68.4	-41.4	179.1	-72.5	176.5	0	0	0	111.4	L355 K358 T363 I364 I365	L355-L361 HydrophobicContact CD2-CB 4.13Å; K358-L361 HydrophobicContact CB-CB 4.22Å; K358-L361 HydrophobicContact CB-CD1 3.99Å; K358-L361 HydrophobicContact CB-CG 4.26Å; K358-L361 HydrophobicContact CD-CD1 3.56Å; K358-L361 HydrophobicContact CG-CD1 4.41Å; K358-L361 PolarHBondContact O-N 3.01Å; K358-L361 VanDerWaalsContact O-N 3.1Å; L361-T363 VanDerWaalsContact C-N 3.33Å; L361-T363 PolarHBondContact O-N 3.3Å; L361-I364 PolarHBondContact O-N 3.08Å; L361-I365 WeakPolarHBondContact O-CB 3.45Å; L361-I365 WeakPolarHBondContact O-CD1 3.3Å; L361-I365 WeakPolarHBondContact O-CG1 3.27Å; L361-I365 PolarHBondContact O-N 2.82Å
362	I	81	Confident	77.9	Confident	50 Å²	50	82 Å²	82	26%	0.256	43%	0.432	S	S	.	.	H	α-helix	trans	-60.5	-45.5	175.6	-68.8	167.8	0	0	0	110.8	L355 K358 P359 I364 I365 N366	L355-I362 VanDerWaalsContact C-CD1 3.45Å; L355-I362 HydrophobicContact CB-CD1 4.29Å; L355-I362 HydrophobicContact CB-CG1 3.92Å; L355-I362 WeakPolarHBondContact O-CD1 3.26Å; K358-I362 PolarHBondContact O-N 2.95Å; P359-I362 PolarHBondContact O-N 3.44Å; I362-I364 VanDerWaalsContact C-N 3.34Å; I362-I364 PolarHBondContact O-N 3.22Å; I362-I365 PolarHBondContact O-N 3.27Å; I362-N366 VanDerWaalsContact O-CB 3.31Å; I362-N366 WeakPolarHBondContact O-CB 3.03Å; I362-N366 PolarHBondContact O-N 3.39Å
363	T	82.2	Confident	77.9	Confident	93 Å²	93	85.4 Å²	85.4	57%	0.571	45%	0.445	S	S	*	.	H	α-helix	trans	-62.3	-43.3	-179.1	-53.4	0	0	0	0	111.1	P359 F360 L361 F367	P359-T363 WeakPolarHBondContact O-CB 3.38Å; P359-T363 PolarHBondContact O-N 3.42Å; P359-T363 PolarHBondContact O-OG1 3.16Å; F360-T363 PolarHBondContact O-N 3.2Å; L361-T363 VanDerWaalsContact C-N 3.33Å; L361-T363 PolarHBondContact O-N 3.3Å; T363-F367 VanDerWaalsContact O-CB 3.28Å; T363-F367 WeakPolarHBondContact O-CB 3.27Å; T363-F367 PolarHBondContact O-N 2.85Å
364	I	84.2	Confident	78.2	Confident	71 Å²	71	84.1 Å²	84.1	36%	0.364	43%	0.433	S	S	.	.	H	α-helix	trans	-62.9	-48.3	175.2	-70.7	170.2	0	0	0	111.1	F360 L361 I362 N366 F367 V368	F360-I364 HydrophobicContact CD1-CD1 3.66Å; F360-I364 HydrophobicContact CD2-CD1 4.39Å; F360-I364 HydrophobicContact CE1-CD1 3.19Å; F360-I364 HydrophobicContact CE1-CG1 4.41Å; F360-I364 HydrophobicContact CE2-CD1 3.99Å; F360-I364 HydrophobicContact CG-CD1 4.26Å; F360-I364 HydrophobicContact CZ-CD1 3.39Å; F360-I364 HydrophobicContact CZ-CG1 4.36Å; F360-I364 WeakPolarHBondContact O-CG1 3.44Å; F360-I364 PolarHBondContact O-N 3.45Å; L361-I364 PolarHBondContact O-N 3.08Å; I362-I364 VanDerWaalsContact C-N 3.34Å; I362-I364 PolarHBondContact O-N 3.22Å; I364-N366 VanDerWaalsContact C-N 3.34Å; I364-N366 PolarHBondContact O-N 2.82Å; I364-F367 PolarHBondContact O-N 3.06Å; I364-V368 HydrophobicContact CG2-CG2 4.17Å; I364-V368 WeakPolarHBondContact O-CB 3.39Å; I364-V368 VanDerWaalsContact O-CG2 3.24Å; I364-V368 WeakPolarHBondContact O-CG2 3.41Å; I364-V368 PolarHBondContact O-N 3.03Å
365	I	83.2	Confident	78.9	Confident	32 Å²	32	80.5 Å²	80.5	16%	0.164	41%	0.405	C	S	.	.	H	α-helix	trans	-63.5	-42.8	-177.7	-69.2	164.8	0	0	0	110.4	L349 L355 L361 I362 V368 S369	L349-I365 HydrophobicContact CB-CG2 4.31Å; L355-I365 HydrophobicContact CD2-CD1 3.55Å; L361-I365 WeakPolarHBondContact O-CB 3.45Å; L361-I365 WeakPolarHBondContact O-CD1 3.3Å; L361-I365 WeakPolarHBondContact O-CG1 3.27Å; L361-I365 PolarHBondContact O-N 2.82Å; I362-I365 PolarHBondContact O-N 3.27Å; I365-V368 PolarHBondContact O-N 3.12Å; I365-S369 WeakPolarHBondContact O-CB 3.25Å; I365-S369 PolarHBondContact O-N 2.86Å
366	N	82.4	Confident	80.2	Confident	85 Å²	85	79.9 Å²	79.9	46%	0.455	40%	0.401	S	S	.	.	H	α-helix	trans	-64.6	-42.9	176.7	-171.8	24	0	0	0	111.4	T350 I362 I364 S369 N370	T350-N366 HydrophobicContact CG2-CB 4.47Å; I362-N366 VanDerWaalsContact O-CB 3.31Å; I362-N366 WeakPolarHBondContact O-CB 3.03Å; I362-N366 PolarHBondContact O-N 3.39Å; I364-N366 VanDerWaalsContact C-N 3.34Å; I364-N366 PolarHBondContact O-N 2.82Å; N366-S369 PolarHBondContact O-N 3.06Å; N366-N370 VanDerWaalsContact O-CB 3.24Å; N366-N370 WeakPolarHBondContact O-CB 3.32Å; N366-N370 PolarHBondContact O-N 3.11Å
367	F	82	Confident	81.1	Confident	136 Å²	136	76 Å²	76	60%	0.596	38%	0.382	S	S	*	.	H	α-helix	trans	-60.1	-47.5	174.5	179.9	-98.1	0	0	0	111.6	T363 I364 N370 L371	T363-F367 VanDerWaalsContact O-CB 3.28Å; T363-F367 WeakPolarHBondContact O-CB 3.27Å; T363-F367 PolarHBondContact O-N 2.85Å; I364-F367 PolarHBondContact O-N 3.06Å; F367-N370 PolarHBondContact O-N 3.3Å; F367-L371 HydrophobicContact CD1-CD1 4.49Å; F367-L371 HydrophobicContact CE1-CD1 3.73Å; F367-L371 HydrophobicContact CZ-CD1 3.99Å; F367-L371 WeakPolarHBondContact O-CB 3.31Å; F367-L371 PolarHBondContact O-N 3.39Å
368	V	83.8	Confident	81.9	Confident	66 Å²	66	68 Å²	68	40%	0.4	35%	0.345	S	S	.	.	H	α-helix	trans	-63.4	-43	177.7	170.7	0	0	0	0	111.2	L346 I364 I365 L371 F372	L346-V368 HydrophobicContact CD2-CG1 4.38Å; I364-V368 HydrophobicContact CG2-CG2 4.17Å; I364-V368 WeakPolarHBondContact O-CB 3.39Å; I364-V368 VanDerWaalsContact O-CG2 3.24Å; I364-V368 WeakPolarHBondContact O-CG2 3.41Å; I364-V368 PolarHBondContact O-N 3.03Å; I365-V368 PolarHBondContact O-N 3.12Å; V368-L371 PolarHBondContact O-N 3.32Å; V368-F372 VanDerWaalsContact O-CB 3.23Å; V368-F372 WeakPolarHBondContact O-CB 3.44Å; V368-F372 PolarHBondContact O-N 3.39Å
369	S	81.2	Confident	82.4	Confident	6 Å²	6	63.4 Å²	63.4	4%	0.042	33%	0.327	C	S	.	.	H	α-helix	trans	-61.7	-49.6	177.8	-174.1	0	0	0	0	111.3	I365 N366 L371 F372 M373	I365-S369 WeakPolarHBondContact O-CB 3.25Å; I365-S369 PolarHBondContact O-N 2.86Å; N366-S369 PolarHBondContact O-N 3.06Å; S369-L371 PolarHBondContact O-N 2.97Å; S369-F372 PolarHBondContact O-N 3.13Å; S369-M373 WeakPolarHBondContact O-CG 3.28Å; S369-M373 PolarHBondContact O-N 3.49Å
370	N	80.9	Confident	83.1	Confident	74 Å²	74	59.2 Å²	59.2	40%	0.396	30%	0.298	S	S	.	.	H	α-helix	trans	-63.6	-42.8	178.8	-167.6	9.9	0	0	0	111.7	N366 F367 M373 K374	N366-N370 VanDerWaalsContact O-CB 3.24Å; N366-N370 WeakPolarHBondContact O-CB 3.32Å; N366-N370 PolarHBondContact O-N 3.11Å; F367-N370 PolarHBondContact O-N 3.3Å; N370-M373 PolarHBondContact O-N 3.5Å; N370-K374 WeakPolarHBondContact O-CB 3.41Å; N370-K374 WeakPolarHBondContact O-CG 3.29Å; N370-K374 PolarHBondContact O-N 3.31Å; N370-K374 VanDerWaalsContact OD1-CD 3.22Å; N370-K374 WeakPolarHBondContact OD1-CD 3.38Å; N370-K374 WeakPolarHBondContact OD1-CE 3.48Å
371	L	80.1	Confident	83.6	Confident	51 Å²	51	52 Å²	52	27%	0.267	27%	0.267	S	S	.	.	H	α-helix	trans	-61.8	-44.7	175.3	-164.7	167.3	0	0	0	110.7	F367 V368 S369 H375 I379	F367-L371 HydrophobicContact CD1-CD1 4.49Å; F367-L371 HydrophobicContact CE1-CD1 3.73Å; F367-L371 HydrophobicContact CZ-CD1 3.99Å; F367-L371 WeakPolarHBondContact O-CB 3.31Å; F367-L371 PolarHBondContact O-N 3.39Å; V368-L371 PolarHBondContact O-N 3.32Å; S369-L371 PolarHBondContact O-N 2.97Å; L371-H375 WeakPolarHBondContact O-CB 3.2Å; L371-H375 PolarHBondContact O-N 3Å; L371-I379 HydrophobicContact CD2-CD1 3.54Å; L371-I379 HydrophobicContact CD2-CG1 3.82Å
372	F	83.7	Confident	84.1	Confident	18 Å²	18	52.4 Å²	52.4	8%	0.079	27%	0.268	C	S	.	.	H	α-helix	trans	-62	-47.6	178.3	-172.8	-98.3	0	0	0	112.4	L333 T339 I342 L346 V368 S369 L376 I379	L333-F372 HydrophobicContact CD2-CE2 4.01Å; L333-F372 HydrophobicContact CD2-CZ 4.41Å; T339-F372 HydrophobicContact CG2-CE1 4.21Å; T339-F372 HydrophobicContact CG2-CZ 4.29Å; I342-F372 HydrophobicContact CB-CE1 4.21Å; I342-F372 HydrophobicContact CB-CZ 4.12Å; I342-F372 HydrophobicContact CG2-CD1 4.26Å; I342-F372 HydrophobicContact CG2-CE1 3.76Å; I342-F372 HydrophobicContact CG2-CE2 4.11Å; I342-F372 HydrophobicContact CG2-CZ 3.67Å; L346-F372 HydrophobicContact CD1-CB 4.23Å; L346-F372 HydrophobicContact CD1-CD1 4.21Å; L346-F372 HydrophobicContact CD1-CG 4.21Å; V368-F372 VanDerWaalsContact O-CB 3.23Å; V368-F372 WeakPolarHBondContact O-CB 3.44Å; V368-F372 PolarHBondContact O-N 3.39Å; S369-F372 PolarHBondContact O-N 3.13Å; F372-L376 HydrophobicContact CD1-CD1 4.37Å; F372-L376 HydrophobicContact CE1-CD1 3.8Å; F372-L376 HydrophobicContact CE2-CD1 4.27Å; F372-L376 HydrophobicContact CZ-CD1 3.74Å; F372-L376 WeakPolarHBondContact O-CB 3.44Å; F372-L376 PolarHBondContact O-N 2.87Å; F372-I379 HydrophobicContact CB-CD1 4.31Å; F372-I379 HydrophobicContact CD2-CD1 3.9Å; F372-I379 HydrophobicContact CG-CD1 4.5Å
373	M	77.2	Confident	84.8	Confident	110 Å²	110	51.8 Å²	51.8	54%	0.542	27%	0.267	S	S	.	.	H	α-helix	trans	-67.9	-44.6	-178.7	-68.6	-175.2	79.1	0	0	112.6	I347 S369 N370	I347-M373 HydrophobicContact CD1-CE 4.05Å; I347-M373 HydrophobicContact CD1-SD 3.89Å; I347-M373 HydrophobicContact CG1-SD 4.24Å; S369-M373 WeakPolarHBondContact O-CG 3.28Å; S369-M373 PolarHBondContact O-N 3.49Å; N370-M373 PolarHBondContact O-N 3.5Å
374	K	75.8	Confident	85.4	Confident	97 Å²	97	47.4 Å²	47.4	42%	0.422	24%	0.24	S	C	.	.	H	α-helix	trans	-77	-37.3	-176.4	-71.4	-176.9	172.3	-172.1	0	113.5	N370 D469	N370-K374 WeakPolarHBondContact O-CB 3.41Å; N370-K374 WeakPolarHBondContact O-CG 3.29Å; N370-K374 PolarHBondContact O-N 3.31Å; N370-K374 VanDerWaalsContact OD1-CD 3.22Å; N370-K374 WeakPolarHBondContact OD1-CD 3.38Å; N370-K374 WeakPolarHBondContact OD1-CE 3.48Å; K374-D469 IonicContact NZ-OD1 3.61Å
375	H	82.2	Confident	85.9	Confident	31 Å²	31	46.1 Å²	46.1	14%	0.144	23%	0.234	C	C	.	.	S	Bend	trans	-119.9	29.9	-167.1	-58	-72.4	0	0	0	113.7	L371 N377 S378 I379 P467	L371-H375 WeakPolarHBondContact O-CB 3.2Å; L371-H375 PolarHBondContact O-N 3Å; H375-N377 VanDerWaalsContact C-N 3.26Å; H375-N377 PolarHBondContact O-N 3.32Å; H375-N377 VanDerWaalsContact O-N 3.17Å; H375-S378 WeakPolarHBondContact O-CB 3.4Å; H375-S378 PolarHBondContact O-N 2.95Å; H375-I379 WeakPolarHBondContact O-CG1 3.47Å; H375-I379 PolarHBondContact O-N 3.05Å; H375-P467 HydrophobicContact CB-CB 4.12Å; H375-P467 WeakPolarHBondContact CD2-CB 3.31Å; H375-P467 VanDerWaalsContact CG-CB 3.42Å; H375-P467 WeakPolarHBondContact NE2-CB 3.42Å
376	L	87.5	Confident	86.5	Confident	24 Å²	24	47.2 Å²	47.2	13%	0.126	25%	0.248	C	C	.	.	H	α-helix	trans	-52.6	-42.3	-176.6	-166	138.3	0	0	0	113.6	T339 F372 S378 I379 R380	T339-L376 HydrophobicContact CG2-CD1 3.2Å; F372-L376 HydrophobicContact CD1-CD1 4.37Å; F372-L376 HydrophobicContact CE1-CD1 3.8Å; F372-L376 HydrophobicContact CE2-CD1 4.27Å; F372-L376 HydrophobicContact CZ-CD1 3.74Å; F372-L376 WeakPolarHBondContact O-CB 3.44Å; F372-L376 PolarHBondContact O-N 2.87Å; L376-S378 PolarHBondContact O-N 3.49Å; L376-I379 PolarHBondContact O-N 3.23Å; L376-R380 HydrophobicContact CD2-CG 4.03Å; L376-R380 WeakPolarHBondContact O-CG 3.29Å; L376-R380 PolarHBondContact O-N 3.04Å
377	N	86.1	Confident	87.1	Confident	30 Å²	30	43.3 Å²	43.3	16%	0.16	23%	0.227	C	C	.	.	H	α-helix	trans	-63.3	-40.7	177.8	-66.8	-48.5	0	0	0	112.6	H375 R380 L381 L463 R540	H375-N377 VanDerWaalsContact C-N 3.26Å; H375-N377 PolarHBondContact O-N 3.32Å; H375-N377 VanDerWaalsContact O-N 3.17Å; N377-R380 WeakPolarHBondContact O-CB 3.31Å; N377-R380 PolarHBondContact O-N 3.42Å; N377-L381 WeakPolarHBondContact O-CG 3.46Å; N377-L381 PolarHBondContact O-N 3.22Å; N377-L463 HydrophobicContact CB-CD1 4.23Å; N377-L463 HydrophobicContact CB-CD2 3.6Å; N377-R540 PolarHBondContact ND2-NH2 3.18Å; N377-R540 VanDerWaalsContact ND2-NH2 3.18Å
378	S	87.4	Confident	87.8	Confident	8 Å²	8	36.9 Å²	36.9	6%	0.056	20%	0.199	C	C	.	.	H	α-helix	trans	-67.9	-37.4	176.5	-57.9	0	0	0	0	111.3	H375 L376 L381 I382 S464	H375-S378 WeakPolarHBondContact O-CB 3.4Å; H375-S378 PolarHBondContact O-N 2.95Å; L376-S378 PolarHBondContact O-N 3.49Å; S378-L381 WeakPolarHBondContact O-CB 3.26Å; S378-L381 PolarHBondContact O-N 3.44Å; S378-I382 VanDerWaalsContact O-CG1 3.3Å; S378-I382 WeakPolarHBondContact O-CG1 3.12Å; S378-I382 PolarHBondContact O-N 3.49Å; S378-S464 WeakPolarHBondContact CB-O 3.3Å; S378-S464 PolarHBondContact OG-O 3.43Å
379	I	89.5	Confident	88.3	Confident	32 Å²	32	37.8 Å²	37.8	16%	0.164	20%	0.201	C	C	.	.	H	α-helix	trans	-63.1	-47.7	173.2	-62.5	171.6	0	0	0	110.6	L333 L371 F372 H375 L376 L381 I382 V383	L333-I379 HydrophobicContact CD1-CG2 4.46Å; L371-I379 HydrophobicContact CD2-CD1 3.54Å; L371-I379 HydrophobicContact CD2-CG1 3.82Å; F372-I379 HydrophobicContact CB-CD1 4.31Å; F372-I379 HydrophobicContact CD2-CD1 3.9Å; F372-I379 HydrophobicContact CG-CD1 4.5Å; H375-I379 WeakPolarHBondContact O-CG1 3.47Å; H375-I379 PolarHBondContact O-N 3.05Å; L376-I379 PolarHBondContact O-N 3.23Å; I379-L381 PolarHBondContact O-N 3.42Å; I379-I382 PolarHBondContact O-N 3.08Å; I379-V383 HydrophobicContact CG2-CG2 3.99Å; I379-V383 WeakPolarHBondContact O-CB 3.46Å; I379-V383 WeakPolarHBondContact O-CG2 3.4Å; I379-V383 PolarHBondContact O-N 2.77Å
380	R	92.1	Very high	88.9	Confident	5 Å²	5	40.1 Å²	40.1	2%	0.019	21%	0.21	C	C	.	.	H	α-helix	trans	-52.3	-43.7	175.4	-75	177.3	177.3	158.5	7.7	110.7	D249 L333 L376 N377 S384	D249-R380 IonicContact OD2-CZ 3.85Å; D249-R380 IonicContact OD2-NH1 2.73Å; D249-R380 PolarHBondContact OD2-NH1 3.41Å; D249-R380 IonicContact OD2-NH2 3.52Å; D249-R380 PolarHBondContact OD2-NH2 2.86Å; L333-R380 HydrophobicContact CB-CG 4.13Å; L333-R380 PolarHBondContact O-NE 3.25Å; L333-R380 PolarHBondContact O-NH2 2.88Å; L333-R380 VanDerWaalsContact O-NH2 3.15Å; L376-R380 HydrophobicContact CD2-CG 4.03Å; L376-R380 WeakPolarHBondContact O-CG 3.29Å; L376-R380 PolarHBondContact O-N 3.04Å; N377-R380 WeakPolarHBondContact O-CB 3.31Å; N377-R380 PolarHBondContact O-N 3.42Å; R380-S384 WeakPolarHBondContact O-CB 3.33Å; R380-S384 PolarHBondContact O-N 3.22Å; R380-S384 VanDerWaalsContact O-N 3.1Å; R380-S384 PolarHBondContact O-OG 3.3Å
381	L	92.1	Very high	89.5	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-64.8	-51.2	176.4	-74.6	176	0	0	0	113	N377 S378 I379 S384 L385 L454 Y457 K458 L463 W465	N377-L381 WeakPolarHBondContact O-CG 3.46Å; N377-L381 PolarHBondContact O-N 3.22Å; S378-L381 WeakPolarHBondContact O-CB 3.26Å; S378-L381 PolarHBondContact O-N 3.44Å; I379-L381 PolarHBondContact O-N 3.42Å; L381-S384 PolarHBondContact O-N 3.47Å; L381-L385 WeakPolarHBondContact O-CB 3.3Å; L381-L385 PolarHBondContact O-N 3.26Å; L381-L454 HydrophobicContact CD2-CD1 3.55Å; L381-L454 HydrophobicContact CD2-CG 4.33Å; L381-Y457 HydrophobicContact CD2-CD1 3.38Å; L381-Y457 HydrophobicContact CD2-CE1 3.63Å; L381-Y457 HydrophobicContact CG-CD1 4.43Å; L381-Y457 HydrophobicContact CG-CE1 4.23Å; L381-K458 HydrophobicContact CD1-CB 4.12Å; L381-K458 HydrophobicContact CD1-CG 4.15Å; L381-K458 HydrophobicContact CD2-CB 4.36Å; L381-L463 HydrophobicContact CD1-CB 3.63Å; L381-L463 HydrophobicContact CD1-CD1 3.7Å; L381-L463 HydrophobicContact CD1-CG 4.28Å; L381-L463 HydrophobicContact CG-CD1 4.32Å; L381-W465 HydrophobicContact CB-CE3 4.32Å; L381-W465 HydrophobicContact CB-CZ3 3.92Å
382	I	92.4	Very high	90.1	Very high	80 Å²	80	35.9 Å²	35.9	41%	0.41	19%	0.188	S	C	.	.	H	α-helix	trans	-63.3	-45.4	-176.8	-69	165.1	0	0	0	110.8	S378 I379 S384 L385 A386 W465	S378-I382 VanDerWaalsContact O-CG1 3.3Å; S378-I382 WeakPolarHBondContact O-CG1 3.12Å; S378-I382 PolarHBondContact O-N 3.49Å; I379-I382 PolarHBondContact O-N 3.08Å; I382-S384 VanDerWaalsContact C-N 3.35Å; I382-L385 PolarHBondContact O-N 2.91Å; I382-A386 WeakPolarHBondContact O-CB 3.27Å; I382-A386 PolarHBondContact O-N 2.89Å; I382-W465 WeakPolarHBondContact CD1-O 3.24Å; I382-W465 HydrophobicContact CG1-CE3 3.87Å; I382-W465 HydrophobicContact CG1-CZ3 4.35Å
383	V	94	Very high	90.5	Very high	38 Å²	38	39.2 Å²	39.2	23%	0.23	21%	0.213	C	C	.	.	H	α-helix	trans	-63.6	-44.1	178.6	175.4	0	0	0	0	110.1	I329 P330 L333 I379 L385 A386 V387	I329-V383 HydrophobicContact CB-CG1 4.48Å; I329-V383 HydrophobicContact CG2-CG1 3.93Å; P330-V383 HydrophobicContact CB-CG1 4.18Å; P330-V383 HydrophobicContact CG-CG1 4.5Å; L333-V383 HydrophobicContact CD1-CB 4.25Å; L333-V383 HydrophobicContact CD1-CG1 4.23Å; L333-V383 HydrophobicContact CD1-CG2 4.14Å; I379-V383 HydrophobicContact CG2-CG2 3.99Å; I379-V383 WeakPolarHBondContact O-CB 3.46Å; I379-V383 WeakPolarHBondContact O-CG2 3.4Å; I379-V383 PolarHBondContact O-N 2.77Å; V383-L385 VanDerWaalsContact C-N 3.33Å; V383-L385 PolarHBondContact O-N 3.03Å; V383-A386 PolarHBondContact O-N 3.26Å; V383-V387 HydrophobicContact CG1-CG2 4.4Å; V383-V387 WeakPolarHBondContact O-CG2 3.42Å; V383-V387 PolarHBondContact O-N 3.5Å
384	S	95.4	Very high	91.1	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.007	19%	0.19	C	C	.	.	H	α-helix	trans	-59.1	-42.9	174.9	-65.4	0	0	0	0	112.3	P330 R380 L381 I382 V387 V388	P330-S384 WeakPolarHBondContact CB-OG 3.46Å; R380-S384 WeakPolarHBondContact O-CB 3.33Å; R380-S384 PolarHBondContact O-N 3.22Å; R380-S384 VanDerWaalsContact O-N 3.1Å; R380-S384 PolarHBondContact O-OG 3.3Å; L381-S384 PolarHBondContact O-N 3.47Å; I382-S384 VanDerWaalsContact C-N 3.35Å; S384-V387 PolarHBondContact O-N 2.98Å; S384-V388 PolarHBondContact O-N 2.96Å; S384-V388 VanDerWaalsContact O-N 3.16Å
385	L	95.3	Very high	91.9	Very high	43 Å²	43	30 Å²	30	23%	0.225	17%	0.171	C	C	.	.	H	α-helix	trans	-63.9	-45.6	176.1	-177.8	69.1	0	0	0	111.1	L381 I382 V383 V387 V388 L389 L454 W465	L381-L385 WeakPolarHBondContact O-CB 3.3Å; L381-L385 PolarHBondContact O-N 3.26Å; I382-L385 PolarHBondContact O-N 2.91Å; V383-L385 VanDerWaalsContact C-N 3.33Å; V383-L385 PolarHBondContact O-N 3.03Å; L385-V387 VanDerWaalsContact C-N 3.31Å; L385-V387 PolarHBondContact O-N 3.24Å; L385-V388 HydrophobicContact CD1-CG1 4.34Å; L385-V388 VanDerWaalsContact O-CG1 3.31Å; L385-V388 WeakPolarHBondContact O-CG1 3.28Å; L385-V388 PolarHBondContact O-N 2.9Å; L385-L389 HydrophobicContact CD1-CD1 4.29Å; L385-L389 HydrophobicContact CD1-CG 4.34Å; L385-L389 HydrophobicContact CD2-CD1 4.4Å; L385-L389 HydrophobicContact CG-CD1 3.93Å; L385-L389 HydrophobicContact CG-CG 4.36Å; L385-L389 WeakPolarHBondContact O-CB 3.46Å; L385-L389 VanDerWaalsContact O-CG 3.28Å; L385-L389 WeakPolarHBondContact O-CG 3.09Å; L385-L389 PolarHBondContact O-N 3.31Å; L385-L454 HydrophobicContact CB-CD2 3.86Å; L385-L454 HydrophobicContact CD1-CD2 4.21Å; L385-W465 HydrophobicContact CB-CH2 4.04Å; L385-W465 HydrophobicContact CB-CZ3 4.07Å; L385-W465 HydrophobicContact CD1-CH2 4.34Å; L385-W465 HydrophobicContact CD2-CH2 3.57Å; L385-W465 HydrophobicContact CD2-CZ2 4.1Å; L385-W465 HydrophobicContact CD2-CZ3 3.82Å; L385-W465 HydrophobicContact CG-CH2 4.18Å
386	A	95.6	Very high	92.3	Very high	55 Å²	55	32.1 Å²	32.1	46%	0.455	18%	0.178	S	C	.	.	H	α-helix	trans	-59.8	-42.1	178.6	0	0	0	0	0	111.7	I382 V383 L389 F390	I382-A386 WeakPolarHBondContact O-CB 3.27Å; I382-A386 PolarHBondContact O-N 2.89Å; V383-A386 PolarHBondContact O-N 3.26Å; A386-L389 PolarHBondContact O-N 2.86Å; A386-F390 VanDerWaalsContact O-CB 3.3Å; A386-F390 WeakPolarHBondContact O-CB 3.45Å; A386-F390 PolarHBondContact O-N 3.47Å
387	V	95.7	Very high	92.3	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.018	19%	0.194	C	C	.	.	H	α-helix	trans	-60.2	-48.6	176.7	175.5	0	0	0	0	111.1	C326 P327 P330 V383 S384 L385 L389 F390 R391	C326-V387 WeakPolarHBondContact SG-CG2 3.5Å; P327-V387 HydrophobicContact CB-CG1 3.88Å; P327-V387 HydrophobicContact CG-CG1 3.75Å; P330-V387 HydrophobicContact CG-CG2 3.82Å; V383-V387 HydrophobicContact CG1-CG2 4.4Å; V383-V387 WeakPolarHBondContact O-CG2 3.42Å; V383-V387 PolarHBondContact O-N 3.5Å; S384-V387 PolarHBondContact O-N 2.98Å; L385-V387 VanDerWaalsContact C-N 3.31Å; L385-V387 PolarHBondContact O-N 3.24Å; V387-L389 PolarHBondContact O-N 3.44Å; V387-F390 PolarHBondContact O-N 2.88Å; V387-R391 WeakPolarHBondContact O-CG 3.47Å; V387-R391 PolarHBondContact O-N 3.06Å
388	V	95.4	Very high	92.3	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.012	19%	0.191	C	C	.	.	H	α-helix	trans	-68.5	-37.5	-177.3	78	0	0	0	0	111.9	S384 L385 F390 R391 L392 C447 F450 L451	S384-V388 PolarHBondContact O-N 2.96Å; S384-V388 VanDerWaalsContact O-N 3.16Å; L385-V388 HydrophobicContact CD1-CG1 4.34Å; L385-V388 VanDerWaalsContact O-CG1 3.31Å; L385-V388 WeakPolarHBondContact O-CG1 3.28Å; L385-V388 PolarHBondContact O-N 2.9Å; V388-F390 VanDerWaalsContact C-N 3.32Å; V388-F390 PolarHBondContact O-N 3.02Å; V388-R391 PolarHBondContact O-N 2.92Å; V388-L392 WeakPolarHBondContact O-CG 3.26Å; V388-L392 PolarHBondContact O-N 3.43Å; V388-C447 HydrophobicContact CG2-CB 4.02Å; V388-C447 VanDerWaalsContact CG2-O 3.31Å; V388-C447 WeakPolarHBondContact CG2-O 3.23Å; V388-F450 HydrophobicContact CB-CD1 3.74Å; V388-F450 HydrophobicContact CB-CE1 4.06Å; V388-F450 HydrophobicContact CG1-CD1 4.31Å; V388-F450 HydrophobicContact CG2-CD1 3.82Å; V388-L451 HydrophobicContact CG1-CB 4.36Å; V388-L451 HydrophobicContact CG1-CD1 4.25Å; V388-L451 HydrophobicContact CG2-CB 4.39Å
389	L	94.7	Very high	92.5	Very high	85 Å²	85	36.1 Å²	36.1	45%	0.445	19%	0.19	S	C	.	.	H	α-helix	trans	-65	-37.8	174.5	-69.1	177	0	0	0	111.6	L385 A386 V387 L392 S393	L385-L389 HydrophobicContact CD1-CD1 4.29Å; L385-L389 HydrophobicContact CD1-CG 4.34Å; L385-L389 HydrophobicContact CD2-CD1 4.4Å; L385-L389 HydrophobicContact CG-CD1 3.93Å; L385-L389 HydrophobicContact CG-CG 4.36Å; L385-L389 WeakPolarHBondContact O-CB 3.46Å; L385-L389 VanDerWaalsContact O-CG 3.28Å; L385-L389 WeakPolarHBondContact O-CG 3.09Å; L385-L389 PolarHBondContact O-N 3.31Å; A386-L389 PolarHBondContact O-N 2.86Å; V387-L389 PolarHBondContact O-N 3.44Å; L389-L392 PolarHBondContact O-N 3.29Å; L389-S393 WeakPolarHBondContact O-CB 3.26Å; L389-S393 PolarHBondContact O-N 3.37Å; L389-S393 PolarHBondContact O-OG 2.91Å
390	F	94.9	Very high	92.5	Very high	54 Å²	54	36.5 Å²	36.5	24%	0.237	19%	0.191	C	C	.	.	H	α-helix	trans	-65.3	-42.6	174	-173.2	-106.6	0	0	0	111.9	I319 L322 N323 A386 V387 V388 L392 S393 T394	I319-F390 HydrophobicContact CG2-CZ 3.98Å; L322-F390 HydrophobicContact CB-CE1 4.15Å; L322-F390 HydrophobicContact CB-CZ 4.16Å; L322-F390 HydrophobicContact CD2-CE1 4.22Å; L322-F390 HydrophobicContact CD2-CE2 4.29Å; L322-F390 HydrophobicContact CD2-CZ 3.8Å; L322-F390 HydrophobicContact CG-CE1 4.03Å; L322-F390 HydrophobicContact CG-CZ 4.08Å; N323-F390 VanDerWaalsContact CA-CE1 3.49Å; N323-F390 HydrophobicContact CB-CD1 4.33Å; N323-F390 HydrophobicContact CB-CE1 3.74Å; A386-F390 VanDerWaalsContact O-CB 3.3Å; A386-F390 WeakPolarHBondContact O-CB 3.45Å; A386-F390 PolarHBondContact O-N 3.47Å; V387-F390 PolarHBondContact O-N 2.88Å; V388-F390 VanDerWaalsContact C-N 3.32Å; V388-F390 PolarHBondContact O-N 3.02Å; F390-L392 PolarHBondContact O-N 3.26Å; F390-S393 PolarHBondContact O-N 3.18Å; F390-T394 HydrophobicContact CE1-CG2 4.45Å; F390-T394 HydrophobicContact CZ-CG2 4.37Å; F390-T394 PolarHBondContact O-N 3.03Å; F390-T394 PolarHBondContact O-OG1 3.45Å; F390-T394 VanDerWaalsContact O-OG1 3.12Å
391	R	93.3	Very high	92.3	Very high	1 Å²	1	36.5 Å²	36.5	0%	0.004	19%	0.192	C	C	.	.	H	α-helix	trans	-60.7	-44.5	172.7	-69	-149.9	152.5	173.3	-8.7	111.9	N323 V387 V388 S393 T394 V395 Y443 W554	N323-R391 PolarHBondContact O-NH2 2.87Å; N323-R391 WeakPolarHBondContact OD1-CG 3.48Å; V387-R391 WeakPolarHBondContact O-CG 3.47Å; V387-R391 PolarHBondContact O-N 3.06Å; V388-R391 PolarHBondContact O-N 2.92Å; R391-S393 VanDerWaalsContact C-N 3.34Å; R391-S393 PolarHBondContact O-N 3.29Å; R391-T394 PolarHBondContact O-N 3.39Å; R391-T394 PolarHBondContact O-OG1 3.3Å; R391-V395 PolarHBondContact O-N 2.87Å; R391-Y443 VanDerWaalsContact O-CE1 3.22Å; R391-Y443 WeakPolarHBondContact O-CE1 3.28Å; R391-Y443 PolarHBondContact O-OH 3.27Å; R391-Y443 VanDerWaalsContact O-OH 3.09Å; R391-W554 HydrophobicContact CG-CH2 4.42Å; R391-W554 VanDerWaalsContact NH1-CD2 3.25Å; R391-W554 VanDerWaalsContact NH1-CE2 3.26Å
392	L	92.9	Very high	92.2	Very high	36 Å²	36	36.8 Å²	36.8	19%	0.188	19%	0.193	C	C	.	.	H	α-helix	trans	-64	-38.2	177.4	-73.6	170.7	0	0	0	112.4	V388 L389 F390 T394 V395 C447 F448 L451	V388-L392 WeakPolarHBondContact O-CG 3.26Å; V388-L392 PolarHBondContact O-N 3.43Å; L389-L392 PolarHBondContact O-N 3.29Å; F390-L392 PolarHBondContact O-N 3.26Å; L392-T394 PolarHBondContact O-N 2.86Å; L392-V395 HydrophobicContact CD2-CG2 4.44Å; L392-V395 WeakPolarHBondContact O-CB 3.25Å; L392-V395 WeakPolarHBondContact O-CG2 3.3Å; L392-V395 PolarHBondContact O-N 3.1Å; L392-C447 HydrophobicContact CD2-CB 3.54Å; L392-C447 HydrophobicContact CG-CB 3.93Å; L392-F448 HydrophobicContact CD1-CD1 4.35Å; L392-F448 HydrophobicContact CD1-CE1 4.14Å; L392-F448 HydrophobicContact CD2-CD1 4.01Å; L392-F448 HydrophobicContact CD2-CE1 3.68Å; L392-L451 HydrophobicContact CD1-CD1 4.13Å
393	S	91	Very high	92.1	Very high	87 Å²	87	33.1 Å²	33.1	61%	0.608	18%	0.175	S	C	*	.	H	α-helix	trans	-66	-27.9	178.5	-59.8	0	0	0	0	112.8	L389 F390 R391	L389-S393 WeakPolarHBondContact O-CB 3.26Å; L389-S393 PolarHBondContact O-N 3.37Å; L389-S393 PolarHBondContact O-OG 2.91Å; F390-S393 PolarHBondContact O-N 3.18Å; R391-S393 VanDerWaalsContact C-N 3.34Å; R391-S393 PolarHBondContact O-N 3.29Å
394	T	90.7	Very high	91.8	Very high	8 Å²	8	33.1 Å²	33.1	5%	0.049	17%	0.173	C	C	.	.	H	α-helix	trans	-87.2	-7.8	179.6	49.8	0	0	0	0	114.1	I319 N323 F390 R391 L392 R396 W397 T398 Y443	I319-T394 HydrophobicContact CG2-CG2 3.8Å; N323-T394 PolarHBondContact ND2-OG1 2.97Å; F390-T394 HydrophobicContact CE1-CG2 4.45Å; F390-T394 HydrophobicContact CZ-CG2 4.37Å; F390-T394 PolarHBondContact O-N 3.03Å; F390-T394 PolarHBondContact O-OG1 3.45Å; F390-T394 VanDerWaalsContact O-OG1 3.12Å; R391-T394 PolarHBondContact O-N 3.39Å; R391-T394 PolarHBondContact O-OG1 3.3Å; L392-T394 PolarHBondContact O-N 2.86Å; T394-R396 VanDerWaalsContact C-N 3.32Å; T394-R396 PolarHBondContact O-N 2.83Å; T394-W397 WeakPolarHBondContact O-CB 3.44Å; T394-W397 PolarHBondContact O-N 2.98Å; T394-T398 PolarHBondContact O-N 3.32Å; T394-T398 PolarHBondContact O-OG1 3.35Å; T394-Y443 PolarHBondContact OG1-OH 3.28Å
395	V	91.6	Very high	91.3	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.03	17%	0.174	C	C	.	.	H	α-helix	trans	-49	-50.4	179.2	171.2	0	0	0	0	112.2	L31 R391 L392 W397 T398 L399 Y443 I444	L31-V395 HydrophobicContact CD2-CG1 4.49Å; R391-V395 PolarHBondContact O-N 2.87Å; L392-V395 HydrophobicContact CD2-CG2 4.44Å; L392-V395 WeakPolarHBondContact O-CB 3.25Å; L392-V395 WeakPolarHBondContact O-CG2 3.3Å; L392-V395 PolarHBondContact O-N 3.1Å; V395-W397 VanDerWaalsContact C-N 3.26Å; V395-W397 PolarHBondContact O-N 2.77Å; V395-T398 PolarHBondContact O-N 2.81Å; V395-L399 WeakPolarHBondContact O-CB 3.28Å; V395-L399 PolarHBondContact O-N 3.33Å; V395-Y443 HydrophobicContact CB-CD1 4.28Å; V395-Y443 HydrophobicContact CB-CE1 4.24Å; V395-Y443 HydrophobicContact CG2-CD1 3.44Å; V395-Y443 VanDerWaalsContact CG2-CD1 3.44Å; V395-Y443 HydrophobicContact CG2-CE1 3.39Å; V395-I444 HydrophobicContact CG1-CD1 4.01Å; V395-I444 HydrophobicContact CG1-CG1 3.98Å; V395-I444 HydrophobicContact CG2-CG1 4.08Å
396	R	90.2	Very high	91	Very high	77 Å²	77	31.4 Å²	31.4	29%	0.291	17%	0.165	S	C	.	.	H	α-helix	trans	-59.4	-40.3	-177.2	-72.6	-170.6	164.2	153	-16.6	112.1	F30 L31 T394 L399 Q400	F30-R396 VanDerWaalsContact C-NH2 3.28Å; F30-R396 VanDerWaalsContact CE1-NH1 3.34Å; F30-R396 PolarHBondContact O-NE 2.91Å; F30-R396 PolarHBondContact O-NH2 3.41Å; L31-R396 HydrophobicContact CD2-CG 4.34Å; L31-R396 WeakPolarHBondContact O-CG 3.43Å; T394-R396 VanDerWaalsContact C-N 3.32Å; T394-R396 PolarHBondContact O-N 2.83Å; R396-L399 PolarHBondContact O-N 3.32Å; R396-Q400 PolarHBondContact O-N 3.48Å
397	W	87.2	Confident	90.6	Very high	124 Å²	124	29.7 Å²	29.7	47%	0.47	15%	0.148	S	C	.	.	H	α-helix	trans	-72	-42.3	-177.5	-66.2	22.2	0	0	0	110.3	K316 I319 T394 V395 L399 Q400 A401	K316-W397 HydrophobicContact CB-CZ3 4.3Å; K316-W397 HydrophobicContact CG-CE3 4.38Å; K316-W397 HydrophobicContact CG-CH2 4.21Å; K316-W397 HydrophobicContact CG-CZ3 3.73Å; I319-W397 HydrophobicContact CB-CZ3 4.18Å; I319-W397 HydrophobicContact CD1-CH2 3.52Å; I319-W397 HydrophobicContact CD1-CZ3 3.57Å; I319-W397 HydrophobicContact CG1-CZ3 4.48Å; I319-W397 HydrophobicContact CG2-CE3 4.24Å; I319-W397 HydrophobicContact CG2-CZ3 3.93Å; T394-W397 WeakPolarHBondContact O-CB 3.44Å; T394-W397 PolarHBondContact O-N 2.98Å; V395-W397 VanDerWaalsContact C-N 3.26Å; V395-W397 PolarHBondContact O-N 2.77Å; W397-L399 VanDerWaalsContact C-N 3.31Å; W397-L399 PolarHBondContact O-N 2.73Å; W397-Q400 PolarHBondContact O-N 3.03Å; W397-A401 PolarHBondContact O-N 3.44Å
398	T	87.9	Confident	90.2	Very high	15 Å²	15	31.9 Å²	31.9	9%	0.092	16%	0.159	C	C	.	.	H	α-helix	trans	-60.2	-41.8	173.4	-60.6	0	0	0	0	111.6	I302 T394 V395 A401 Y402 Y443	I302-T398 HydrophobicContact CB-CG2 4.15Å; I302-T398 HydrophobicContact CD1-CG2 3.99Å; I302-T398 HydrophobicContact CG2-CG2 3.45Å; I302-T398 VanDerWaalsContact CG2-CG2 3.45Å; T394-T398 PolarHBondContact O-N 3.32Å; T394-T398 PolarHBondContact O-OG1 3.35Å; V395-T398 PolarHBondContact O-N 2.81Å; T398-A401 PolarHBondContact O-N 3.39Å; T398-Y402 PolarHBondContact O-N 2.87Å; T398-Y443 HydrophobicContact CG2-CD2 3.73Å; T398-Y443 HydrophobicContact CG2-CE2 3.73Å
399	L	90.3	Very high	89.7	Confident	7 Å²	7	34.5 Å²	34.5	4%	0.037	17%	0.171	C	C	.	.	H	α-helix	trans	-67.3	-38.9	178.7	-167.8	63.3	0	0	0	111.9	I32 L35 V395 R396 W397 Y402 L403 L436 A440	I32-L399 HydrophobicContact CG1-CD2 4.41Å; L35-L399 HydrophobicContact CD2-CB 3.79Å; L35-L399 HydrophobicContact CD2-CD2 3.44Å; L35-L399 VanDerWaalsContact CD2-CD2 3.44Å; L35-L399 HydrophobicContact CD2-CG 3.41Å; L35-L399 VanDerWaalsContact CD2-CG 3.41Å; V395-L399 WeakPolarHBondContact O-CB 3.28Å; V395-L399 PolarHBondContact O-N 3.33Å; R396-L399 PolarHBondContact O-N 3.32Å; W397-L399 VanDerWaalsContact C-N 3.31Å; W397-L399 PolarHBondContact O-N 2.73Å; L399-Y402 PolarHBondContact O-N 3.3Å; L399-L403 PolarHBondContact O-N 3.38Å; L399-L436 HydrophobicContact CD1-CD1 3.29Å; L399-L436 HydrophobicContact CD1-CG 4.1Å; L399-L436 HydrophobicContact CD2-CD1 4.2Å; L399-L436 HydrophobicContact CG-CD1 3.72Å; L399-A440 HydrophobicContact CD1-CB 4.29Å; L399-A440 HydrophobicContact CD2-CB 4.47Å
400	Q	89.6	Confident	89.3	Confident	39 Å²	39	30.4 Å²	30.4	18%	0.182	15%	0.149	C	C	.	.	H	α-helix	trans	-63.5	-44.2	172.5	-176.1	59.9	49.5	0	0	112	T36 R396 W397 Y402 L403 N404	T36-Q400 PolarHBondContact O-NE2 3.45Å; T36-Q400 PolarHBondContact OG1-NE2 3.34Å; R396-Q400 PolarHBondContact O-N 3.48Å; W397-Q400 PolarHBondContact O-N 3.03Å; Q400-Y402 VanDerWaalsContact C-N 3.27Å; Q400-Y402 PolarHBondContact O-N 3.43Å; Q400-L403 PolarHBondContact O-N 3.25Å; Q400-N404 PolarHBondContact NE2-OD1 2.89Å; Q400-N404 VanDerWaalsContact O-CG 3.26Å; Q400-N404 PolarHBondContact O-N 2.84Å; Q400-N404 PolarHBondContact O-OD1 3.25Å
401	A	87.2	Confident	88.9	Confident	5 Å²	5	31 Å²	31	4%	0.041	16%	0.155	C	C	.	.	H	α-helix	trans	-62.5	-36.5	177.5	0	0	0	0	0	112.1	T306 Q309 W397 T398 N404 S405	T306-A401 HydrophobicContact CG2-CB 3.86Å; T306-A401 WeakPolarHBondContact OG1-CB 3.44Å; Q309-A401 PolarHBondContact NE2-O 3.26Å; W397-A401 PolarHBondContact O-N 3.44Å; T398-A401 PolarHBondContact O-N 3.39Å; A401-N404 WeakPolarHBondContact O-CB 3.22Å; A401-N404 PolarHBondContact O-N 3.34Å; A401-S405 PolarHBondContact O-N 2.86Å; A401-S405 VanDerWaalsContact O-N 3.13Å
402	Y	90	Very high	88.5	Confident	7 Å²	7	36.7 Å²	36.7	3%	0.027	18%	0.176	C	C	.	.	H	α-helix	trans	-64.5	-42.4	173.4	176.1	-103.5	0	0	0	112.8	I302 T398 L399 Q400 N404 S405 I432 L436 V439	I302-Y402 HydrophobicContact CG1-CD2 4.44Å; T398-Y402 PolarHBondContact O-N 2.87Å; L399-Y402 PolarHBondContact O-N 3.3Å; Q400-Y402 VanDerWaalsContact C-N 3.27Å; Q400-Y402 PolarHBondContact O-N 3.43Å; Y402-N404 VanDerWaalsContact C-N 3.29Å; Y402-N404 PolarHBondContact O-N 2.96Å; Y402-S405 VanDerWaalsContact O-CB 3.23Å; Y402-S405 WeakPolarHBondContact O-CB 3.21Å; Y402-S405 PolarHBondContact O-N 3.44Å; Y402-I432 HydrophobicContact CD1-CG2 4.42Å; Y402-I432 HydrophobicContact CE1-CG2 3.81Å; Y402-I432 WeakPolarHBondContact CE1-O 3.25Å; Y402-L436 HydrophobicContact CD1-CD1 4.37Å; Y402-V439 HydrophobicContact CD1-CB 4.28Å; Y402-V439 HydrophobicContact CD1-CG1 4.19Å; Y402-V439 HydrophobicContact CD1-CG2 4.18Å; Y402-V439 HydrophobicContact CD2-CG1 4.32Å; Y402-V439 HydrophobicContact CD2-CG2 4.34Å; Y402-V439 HydrophobicContact CE1-CB 4.24Å; Y402-V439 HydrophobicContact CE1-CG2 3.73Å; Y402-V439 HydrophobicContact CE2-CG2 3.92Å; Y402-V439 HydrophobicContact CG-CG1 4.06Å; Y402-V439 HydrophobicContact CG-CG2 4.46Å
403	L	90.5	Very high	88.1	Confident	4 Å²	4	37 Å²	37	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-63.3	-38.2	173.7	-75.4	176.7	0	0	0	111.6	L35 T36 R37 V96 L399 Q400 S405 A406 F433 L436	L35-L403 HydrophobicContact CB-CD1 4.01Å; L35-L403 HydrophobicContact CD2-CD1 3.84Å; L35-L403 HydrophobicContact CG-CD1 4.41Å; T36-L403 WeakPolarHBondContact O-CD1 3.47Å; R37-L403 HydrophobicContact CB-CD1 4.4Å; R37-L403 HydrophobicContact CB-CD2 4.31Å; V96-L403 HydrophobicContact CG2-CD1 4.17Å; L399-L403 PolarHBondContact O-N 3.38Å; Q400-L403 PolarHBondContact O-N 3.25Å; L403-S405 PolarHBondContact O-N 2.86Å; L403-A406 WeakPolarHBondContact O-CB 3.19Å; L403-A406 PolarHBondContact O-N 3.47Å; L403-F433 HydrophobicContact CD2-CD2 4.41Å; L403-L436 HydrophobicContact CD1-CD1 4.21Å; L403-L436 HydrophobicContact CD2-CD1 3.75Å; L403-L436 HydrophobicContact CG-CD1 3.87Å
404	N	88.4	Confident	87.7	Confident	38 Å²	38	33.6 Å²	33.6	20%	0.203	15%	0.152	C	C	.	.	H	α-helix	trans	-63.9	-28.2	177.5	-70.8	-8.7	0	0	0	112.8	Y38 Q309 Q400 A401 Y402 A406 Q407	Y38-N404 WeakPolarHBondContact CE2-O 3.31Å; Q309-N404 VanDerWaalsContact NE2-CB 3.3Å; Q400-N404 PolarHBondContact NE2-OD1 2.89Å; Q400-N404 VanDerWaalsContact O-CG 3.26Å; Q400-N404 PolarHBondContact O-N 2.84Å; Q400-N404 PolarHBondContact O-OD1 3.25Å; A401-N404 WeakPolarHBondContact O-CB 3.22Å; A401-N404 PolarHBondContact O-N 3.34Å; Y402-N404 VanDerWaalsContact C-N 3.29Å; Y402-N404 PolarHBondContact O-N 2.96Å; N404-A406 PolarHBondContact O-N 2.69Å; N404-Q407 PolarHBondContact O-N 3.34Å
405	S	85.7	Confident	87.3	Confident	3 Å²	3	41.2 Å²	41.2	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-60.5	-13.1	176.3	-174.9	0	0	0	0	113.7	A401 Y402 L403 Q407 D408 K409	A401-S405 PolarHBondContact O-N 2.86Å; A401-S405 VanDerWaalsContact O-N 3.13Å; Y402-S405 VanDerWaalsContact O-CB 3.23Å; Y402-S405 WeakPolarHBondContact O-CB 3.21Å; Y402-S405 PolarHBondContact O-N 3.44Å; L403-S405 PolarHBondContact O-N 2.86Å; S405-Q407 VanDerWaalsContact C-N 3.32Å; S405-Q407 PolarHBondContact O-N 3.1Å; S405-D408 PolarHBondContact O-N 3.01Å; S405-K409 WeakPolarHBondContact O-CB 3.09Å; S405-K409 WeakPolarHBondContact O-CG 3.46Å; S405-K409 PolarHBondContact O-N 2.56Å
406	A	87.7	Confident	86.7	Confident	5 Å²	5	46.1 Å²	46.1	4%	0.041	21%	0.209	C	C	.	.	H	α-helix	trans	-62.6	-37.2	175.7	0	0	0	0	0	113.5	Y38 L403 N404 L410 I432	Y38-A406 HydrophobicContact CD2-CB 3.93Å; L403-A406 WeakPolarHBondContact O-CB 3.19Å; L403-A406 PolarHBondContact O-N 3.47Å; N404-A406 PolarHBondContact O-N 2.69Å; A406-L410 WeakPolarHBondContact O-CB 3.38Å; A406-L410 PolarHBondContact O-N 3.11Å; A406-I432 HydrophobicContact CB-CB 4.49Å; A406-I432 HydrophobicContact CB-CD1 3.46Å; A406-I432 VanDerWaalsContact CB-CD1 3.46Å; A406-I432 HydrophobicContact CB-CG2 4.34Å
407	Q	88.4	Confident	86	Confident	18 Å²	18	47.5 Å²	47.5	8%	0.084	24%	0.237	C	C	.	.	H	α-helix	trans	-67.7	-47.9	174.3	-172.2	65.7	44	0	0	110.1	Y38 I89 L91 N404 S405 K409 L410 D411	Y38-Q407 HydrophobicContact CD2-CB 4.48Å; Y38-Q407 HydrophobicContact CE2-CB 3.82Å; I89-Q407 PolarHBondContact O-NE2 2.97Å; L91-Q407 VanDerWaalsContact N-OE1 3.12Å; N404-Q407 PolarHBondContact O-N 3.34Å; S405-Q407 VanDerWaalsContact C-N 3.32Å; S405-Q407 PolarHBondContact O-N 3.1Å; Q407-K409 VanDerWaalsContact C-N 3.27Å; Q407-K409 PolarHBondContact O-N 3.17Å; Q407-L410 CarbonylContact O-C 3.59Å; Q407-L410 WeakPolarHBondContact O-CA 3.3Å; Q407-L410 WeakPolarHBondContact O-CB 3.19Å; Q407-L410 PolarHBondContact O-N 3.2Å; Q407-D411 PolarHBondContact NE2-OD1 3.41Å; Q407-D411 VanDerWaalsContact O-CG 3.25Å; Q407-D411 PolarHBondContact O-N 3.16Å
408	D	85.7	Confident	85.9	Confident	49 Å²	49	43.7 Å²	43.7	26%	0.262	24%	0.236	S	C	.	.	H	α-helix	trans	-58	-39.9	179.4	-57	-31.5	0	0	0	112.5	S405 R412	S405-D408 PolarHBondContact O-N 3.01Å; D408-R412 VanDerWaalsContact O-CG 3.3Å; D408-R412 WeakPolarHBondContact O-CG 3.45Å; D408-R412 PolarHBondContact O-N 3.47Å
409	K	84.9	Confident	85.6	Confident	57 Å²	57	50.4 Å²	50.4	25%	0.248	27%	0.266	C	S	.	.	H	α-helix	trans	-69.5	-37	176.2	-78.3	174.2	174.3	-177.3	0	112.2	S405 Q407 F413 I432	S405-K409 WeakPolarHBondContact O-CB 3.09Å; S405-K409 WeakPolarHBondContact O-CG 3.46Å; S405-K409 PolarHBondContact O-N 2.56Å; Q407-K409 VanDerWaalsContact C-N 3.27Å; Q407-K409 PolarHBondContact O-N 3.17Å; K409-F413 VanDerWaalsContact O-CB 3.25Å; K409-F413 WeakPolarHBondContact O-CB 3.46Å; K409-F413 PolarHBondContact O-N 3.38Å; K409-I432 HydrophobicContact CB-CD1 4.38Å; K409-I432 HydrophobicContact CD-CD1 3.52Å; K409-I432 HydrophobicContact CD-CG1 4.16Å
410	L	87.5	Confident	85.2	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-66	-44	174.7	-178.8	57.9	0	0	0	110.6	I89 L91 A406 Q407 R412 F413 T414 V425 V429	I89-L410 HydrophobicContact CB-CD2 4.08Å; I89-L410 HydrophobicContact CG2-CD2 4.11Å; L91-L410 HydrophobicContact CD1-CD2 3.75Å; L91-L410 HydrophobicContact CD2-CD2 3.79Å; L91-L410 HydrophobicContact CG-CD2 3.67Å; A406-L410 WeakPolarHBondContact O-CB 3.38Å; A406-L410 PolarHBondContact O-N 3.11Å; Q407-L410 CarbonylContact O-C 3.59Å; Q407-L410 WeakPolarHBondContact O-CA 3.3Å; Q407-L410 WeakPolarHBondContact O-CB 3.19Å; Q407-L410 PolarHBondContact O-N 3.2Å; L410-R412 PolarHBondContact O-N 3.47Å; L410-F413 CarbonylContact O-C 3.41Å; L410-F413 WeakPolarHBondContact O-CA 3.48Å; L410-F413 WeakPolarHBondContact O-CB 3.4Å; L410-F413 PolarHBondContact O-N 3.26Å; L410-T414 HydrophobicContact CD1-CG2 4.24Å; L410-T414 HydrophobicContact CG-CG2 4.45Å; L410-T414 WeakPolarHBondContact O-CG2 3.41Å; L410-T414 PolarHBondContact O-N 3.37Å; L410-T414 PolarHBondContact O-OG1 2.87Å; L410-V425 HydrophobicContact CD1-CG1 3.65Å; L410-V425 HydrophobicContact CD1-CG2 4.4Å; L410-V429 HydrophobicContact CD2-CG2 4.49Å
411	D	86.7	Confident	85	Confident	66 Å²	66	48.6 Å²	48.6	35%	0.353	26%	0.259	S	S	.	.	H	α-helix	trans	-65.3	-39.3	-179.9	-64.2	-18.7	0	0	0	112	Q407 F413 T414 H415	Q407-D411 PolarHBondContact NE2-OD1 3.41Å; Q407-D411 VanDerWaalsContact O-CG 3.25Å; Q407-D411 PolarHBondContact O-N 3.16Å; D411-F413 VanDerWaalsContact C-N 3.32Å; D411-T414 WeakPolarHBondContact CA-OG1 3.1Å; D411-T414 PolarHBondContact O-N 3.37Å; D411-T414 PolarHBondContact O-OG1 3.12Å; D411-H415 PolarHBondContact O-N 3.14Å; D411-H415 VanDerWaalsContact O-N 3.11Å
412	R	84.6	Confident	84.9	Confident	120 Å²	120	48.4 Å²	48.4	45%	0.453	26%	0.257	S	S	.	.	H	α-helix	trans	-64.2	-40.7	170.2	-71.2	-179.2	-164.3	-153.4	11.2	111.7	D408 L410 T414 H415 N569	D408-R412 VanDerWaalsContact O-CG 3.3Å; D408-R412 WeakPolarHBondContact O-CG 3.45Å; D408-R412 PolarHBondContact O-N 3.47Å; L410-R412 PolarHBondContact O-N 3.47Å; R412-T414 VanDerWaalsContact C-N 3.29Å; R412-T414 PolarHBondContact O-N 3.28Å; R412-H415 PolarHBondContact O-N 3.19Å; R412-N569 PolarHBondContact NH1-OD1 2.98Å
413	F	83.5	Confident	84.8	Confident	44 Å²	44	52.6 Å²	52.6	19%	0.193	28%	0.275	C	S	.	.	H	α-helix	trans	-64.9	-34.1	177	-173.6	-96.6	0	0	0	111.1	R85 K409 L410 D411 T420 E424 V425 L428	R85-F413 WeakPolarHBondContact CD-O 3.3Å; R85-F413 VanDerWaalsContact CG-O 3.23Å; R85-F413 WeakPolarHBondContact CG-O 3.47Å; R85-F413 PolarHBondContact NE-O 2.85Å; R85-F413 PolarHBondContact NH2-O 3.4Å; K409-F413 VanDerWaalsContact O-CB 3.25Å; K409-F413 WeakPolarHBondContact O-CB 3.46Å; K409-F413 PolarHBondContact O-N 3.38Å; L410-F413 CarbonylContact O-C 3.41Å; L410-F413 WeakPolarHBondContact O-CA 3.48Å; L410-F413 WeakPolarHBondContact O-CB 3.4Å; L410-F413 PolarHBondContact O-N 3.26Å; D411-F413 VanDerWaalsContact C-N 3.32Å; F413-T420 HydrophobicContact CD1-CG2 4.38Å; F413-T420 HydrophobicContact CE1-CG2 3.39Å; F413-T420 HydrophobicContact CZ-CG2 3.67Å; F413-E424 HydrophobicContact CZ-CB 4.42Å; F413-V425 HydrophobicContact CD1-CG2 4.1Å; F413-V425 HydrophobicContact CE1-CG2 3.72Å; F413-L428 HydrophobicContact CB-CD2 3.75Å; F413-L428 HydrophobicContact CD1-CD2 4.39Å; F413-L428 HydrophobicContact CD2-CD2 4.21Å; F413-L428 HydrophobicContact CG-CD2 3.88Å
414	T	83.9	Confident	84.6	Confident	15 Å²	15	57 Å²	57	9%	0.092	30%	0.296	C	S	.	.	H	α-helix	trans	-79.4	-20.4	178.8	55.4	0	0	0	0	113.8	R85 T87 L410 D411 R412	R85-T414 CarbonylContact C-O 3.48Å; R85-T414 CarbonylContact O-C 3.59Å; R85-T414 WeakPolarHBondContact O-CA 3.39Å; R85-T414 WeakPolarHBondContact O-CB 3.26Å; R85-T414 VanDerWaalsContact O-CG2 3.3Å; R85-T414 WeakPolarHBondContact O-CG2 3.24Å; R85-T414 VanDerWaalsContact O-O 3.13Å; T87-T414 WeakPolarHBondContact O-CG2 3.46Å; L410-T414 HydrophobicContact CD1-CG2 4.24Å; L410-T414 HydrophobicContact CG-CG2 4.45Å; L410-T414 WeakPolarHBondContact O-CG2 3.41Å; L410-T414 PolarHBondContact O-N 3.37Å; L410-T414 PolarHBondContact O-OG1 2.87Å; D411-T414 WeakPolarHBondContact CA-OG1 3.1Å; D411-T414 PolarHBondContact O-N 3.37Å; D411-T414 PolarHBondContact O-OG1 3.12Å; R412-T414 VanDerWaalsContact C-N 3.29Å; R412-T414 PolarHBondContact O-N 3.28Å
415	H	81.4	Confident	84.6	Confident	168 Å²	168	55.3 Å²	55.3	78%	0.778	29%	0.287	S	S	*	.	H	α-helix	trans	-72.3	-25.6	178.2	-170.5	-86.1	0	0	0	113.8	D411 R412	D411-H415 PolarHBondContact O-N 3.14Å; D411-H415 VanDerWaalsContact O-N 3.11Å; R412-H415 PolarHBondContact O-N 3.19Å
416	E	79.5	Confident	84.7	Confident	108 Å²	108	57.3 Å²	57.3	51%	0.505	30%	0.296	S	S	.	.	S	Bend	trans	-69.5	137	174.7	-69.5	172.1	-155.6	0	0	110.7	R85	R85-E416 WeakPolarHBondContact CD-O 3.21Å; R85-E416 VanDerWaalsContact CG-O 3.24Å; R85-E416 WeakPolarHBondContact CG-O 3.36Å; R85-E416 IonicContact CZ-OE2 3.12Å; R85-E416 IonicContact NH1-OE2 2.79Å; R85-E416 PolarHBondContact NH1-OE2 3.35Å; R85-E416 VanDerWaalsContact NH2-CD 3.28Å; R85-E416 IonicContact NH2-OE1 2.69Å; R85-E416 IonicContact NH2-OE2 3.69Å; R85-E416 PolarHBondContact NH2-OE2 2.99Å
417	A	76.3	Confident	84.8	Confident	106 Å²	106	65.7 Å²	65.7	88%	0.876	33%	0.326	S	S	*	.			trans	-72.5	133.6	177.2	0	0	0	0	0	110.9
418	G	83.3	Confident	84.7	Confident	44 Å²	44	66.9 Å²	66.9	45%	0.454	33%	0.333	S	S	.	.	S	Bend	trans	159.7	-179.3	176.6	0	0	0	0	0	113.8	R85	R85-G418 WeakPolarHBondContact CB-O 3.43Å; R85-G418 PolarHBondContact N-O 2.93Å
419	Q	81.7	Confident	84.9	Confident	155 Å²	155	64.8 Å²	64.8	72%	0.724	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	136.6	165.6	-69.6	-174.1	-11	0	0	108.5
420	T	82.1	Confident	85	Confident	3 Å²	3	63.9 Å²	63.9	2%	0.018	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	145	178.1	48	0	0	0	0	111.1	Y82 F83 R85 F413	Y82-T420 WeakPolarHBondContact CA-O 3.36Å; F83-T420 PolarHBondContact N-O 3.07Å; F83-T420 VanDerWaalsContact N-O 3.14Å; F83-T420 PolarHBondContact O-N 3.39Å; R85-T420 HydrophobicContact CB-CG2 3.82Å; R85-T420 HydrophobicContact CG-CG2 3.47Å; R85-T420 VanDerWaalsContact CG-CG2 3.47Å; F413-T420 HydrophobicContact CD1-CG2 4.38Å; F413-T420 HydrophobicContact CE1-CG2 3.39Å; F413-T420 HydrophobicContact CZ-CG2 3.67Å
421	S	86	Confident	85	Confident	6 Å²	6	66.1 Å²	66.1	4%	0.042	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	140.5	170.7	168.5	0	0	0	0	109.9	T80 K423 E424 V425	T80-S421 VanDerWaalsContact CG2-OG 3.24Å; T80-S421 WeakPolarHBondContact CG2-OG 3.4Å; S421-K423 PolarHBondContact O-N 3.36Å; S421-K423 PolarHBondContact OG-N 3.11Å; S421-E424 PolarHBondContact N-OE2 3.05Å; S421-E424 VanDerWaalsContact N-OE2 3.07Å; S421-E424 WeakPolarHBondContact O-CB 3.48Å; S421-E424 PolarHBondContact O-N 3.02Å; S421-E424 VanDerWaalsContact O-N 3.07Å; S421-V425 PolarHBondContact O-N 3.43Å
422	N	85.2	Confident	85.1	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-49	-44.9	169	174.3	1.1	0	0	0	112.3	D43 L46 F81 F83 E424 V425 Q426	D43-N422 PolarHBondContact OD1-ND2 2.98Å; L46-N422 HydrophobicContact CD1-CB 4.06Å; L46-N422 WeakPolarHBondContact CD1-OD1 3.37Å; F81-N422 HydrophobicContact CD1-CB 4.28Å; F81-N422 HydrophobicContact CD2-CB 4.4Å; F81-N422 HydrophobicContact CE1-CB 3.92Å; F81-N422 WeakPolarHBondContact CE1-ND2 3.3Å; F81-N422 HydrophobicContact CE2-CB 4.03Å; F81-N422 HydrophobicContact CZ-CB 3.77Å; F81-N422 WeakPolarHBondContact CZ-ND2 3.39Å; F81-N422 PolarHBondContact O-N 2.82Å; F81-N422 VanDerWaalsContact O-N 3.11Å; F83-N422 HydrophobicContact CE1-CB 4.21Å; N422-E424 PolarHBondContact O-N 3.22Å; N422-V425 PolarHBondContact O-N 3.21Å; N422-Q426 PolarHBondContact O-N 3.23Å; N422-Q426 WeakPolarHBondContact OD1-CG 3.44Å; N422-Q426 PolarHBondContact OD1-NE2 2.87Å; N422-Q426 PolarHBondContact OD1-OE1 3.41Å
423	K	87	Confident	85.2	Confident	96 Å²	96	58.6 Å²	58.6	42%	0.417	31%	0.308	S	S	.	.	H	α-helix	trans	-61.2	-31.1	-178.4	-67.4	-175.3	177.3	164	0	112.8	T80 S421 R427	T80-K423 WeakPolarHBondContact OG1-CD 3.41Å; T80-K423 WeakPolarHBondContact OG1-CE 2.95Å; T80-K423 PolarHBondContact OG1-NZ 3.18Å; S421-K423 PolarHBondContact O-N 3.36Å; S421-K423 PolarHBondContact OG-N 3.11Å; K423-R427 WeakPolarHBondContact O-CB 3.28Å; K423-R427 PolarHBondContact O-N 2.97Å
424	E	87.5	Confident	85.4	Confident	97 Å²	97	63 Å²	63	45%	0.453	32%	0.324	S	S	.	.	H	α-helix	trans	-70.8	-45	178.2	-68.2	168	164.3	0	0	111.4	F413 S421 N422 R427 L428	F413-E424 HydrophobicContact CZ-CB 4.42Å; S421-E424 PolarHBondContact N-OE2 3.05Å; S421-E424 VanDerWaalsContact N-OE2 3.07Å; S421-E424 WeakPolarHBondContact O-CB 3.48Å; S421-E424 PolarHBondContact O-N 3.02Å; S421-E424 VanDerWaalsContact O-N 3.07Å; N422-E424 PolarHBondContact O-N 3.22Å; E424-R427 PolarHBondContact O-N 3.42Å; E424-L428 WeakPolarHBondContact O-CB 3.4Å; E424-L428 PolarHBondContact O-N 3.19Å
425	V	87	Confident	85.7	Confident	1 Å²	1	64 Å²	64	1%	0.006	33%	0.332	C	S	.	.	H	α-helix	trans	-64.4	-46.3	176.6	170.3	0	0	0	0	111	P41 L46 F83 L410 F413 S421 N422 R427 L428 V429	P41-V425 HydrophobicContact CG-CG1 4.08Å; L46-V425 HydrophobicContact CD2-CG1 4.36Å; F83-V425 HydrophobicContact CZ-CB 4.46Å; F83-V425 HydrophobicContact CZ-CG2 3.9Å; L410-V425 HydrophobicContact CD1-CG1 3.65Å; L410-V425 HydrophobicContact CD1-CG2 4.4Å; F413-V425 HydrophobicContact CD1-CG2 4.1Å; F413-V425 HydrophobicContact CE1-CG2 3.72Å; S421-V425 PolarHBondContact O-N 3.43Å; N422-V425 PolarHBondContact O-N 3.21Å; V425-R427 VanDerWaalsContact C-N 3.33Å; V425-R427 PolarHBondContact O-N 2.9Å; V425-L428 WeakPolarHBondContact O-CB 3.33Å; V425-L428 PolarHBondContact O-N 3.47Å; V425-V429 PolarHBondContact O-N 3.39Å; V425-V429 VanDerWaalsContact O-N 3.11Å
426	Q	88.8	Confident	86.1	Confident	46 Å²	46	56 Å²	56	22%	0.215	30%	0.295	C	S	.	.	H	α-helix	trans	-60.4	-43.6	175.1	-72.6	179.5	-14	0	0	111.6	V40 P41 D43 N422 L428 V429 A430	V40-Q426 HydrophobicContact CG1-CB 3.72Å; V40-Q426 HydrophobicContact CG1-CG 3.63Å; P41-Q426 HydrophobicContact CG-CG 4.4Å; P41-Q426 WeakPolarHBondContact O-CG 2.97Å; P41-Q426 PolarHBondContact O-NE2 2.82Å; D43-Q426 PolarHBondContact OD1-NE2 3.33Å; N422-Q426 PolarHBondContact O-N 3.23Å; N422-Q426 WeakPolarHBondContact OD1-CG 3.44Å; N422-Q426 PolarHBondContact OD1-NE2 2.87Å; N422-Q426 PolarHBondContact OD1-OE1 3.41Å; Q426-L428 PolarHBondContact O-N 3.39Å; Q426-V429 PolarHBondContact O-N 2.91Å; Q426-A430 WeakPolarHBondContact O-CB 3.17Å; Q426-A430 PolarHBondContact O-N 3Å
427	R	89.5	Confident	86.6	Confident	181 Å²	181	50.9 Å²	50.9	68%	0.683	27%	0.271	S	S	*	.	H	α-helix	trans	-62.9	-39.7	176.7	-176.7	177.6	-177	172.4	2.1	111.9	K423 E424 V425 S431	K423-R427 WeakPolarHBondContact O-CB 3.28Å; K423-R427 PolarHBondContact O-N 2.97Å; E424-R427 PolarHBondContact O-N 3.42Å; V425-R427 VanDerWaalsContact C-N 3.33Å; V425-R427 PolarHBondContact O-N 2.9Å; R427-S431 WeakPolarHBondContact O-CB 2.98Å; R427-S431 PolarHBondContact O-N 3.01Å; R427-S431 PolarHBondContact O-OG 3.38Å
428	L	87.5	Confident	87.2	Confident	43 Å²	43	47.2 Å²	47.2	23%	0.225	24%	0.237	C	C	.	.	H	α-helix	trans	-60.5	-53	177.2	179.3	66.3	0	0	0	110.9	F413 E424 V425 Q426 S431	F413-L428 HydrophobicContact CB-CD2 3.75Å; F413-L428 HydrophobicContact CD1-CD2 4.39Å; F413-L428 HydrophobicContact CD2-CD2 4.21Å; F413-L428 HydrophobicContact CG-CD2 3.88Å; E424-L428 WeakPolarHBondContact O-CB 3.4Å; E424-L428 PolarHBondContact O-N 3.19Å; V425-L428 WeakPolarHBondContact O-CB 3.33Å; V425-L428 PolarHBondContact O-N 3.47Å; Q426-L428 PolarHBondContact O-N 3.39Å; L428-S431 PolarHBondContact O-N 3.38Å; L428-S431 PolarHBondContact O-OG 3.41Å
429	V	88.8	Confident	87.6	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.024	22%	0.216	C	C	.	.	H	α-helix	trans	-64.6	-44.2	179.9	178.8	0	0	0	0	110.8	L91 L410 V425 Q426 S431 I432	L91-V429 HydrophobicContact CD1-CG1 4.16Å; L91-V429 HydrophobicContact CD1-CG2 3.84Å; L91-V429 HydrophobicContact CD2-CG2 4.22Å; L410-V429 HydrophobicContact CD2-CG2 4.49Å; V425-V429 PolarHBondContact O-N 3.39Å; V425-V429 VanDerWaalsContact O-N 3.11Å; Q426-V429 PolarHBondContact O-N 2.91Å; V429-S431 VanDerWaalsContact C-N 3.33Å; V429-S431 PolarHBondContact O-N 3Å; V429-I432 PolarHBondContact O-N 2.81Å
430	A	88.1	Confident	88.1	Confident	38 Å²	38	38 Å²	38	31%	0.314	18%	0.182	S	C	.	.	H	α-helix	trans	-63.3	-36.4	178.1	0	0	0	0	0	112.7	V40 Q426 I432 F433 Y434	V40-A430 HydrophobicContact CG2-CB 4.03Å; Q426-A430 WeakPolarHBondContact O-CB 3.17Å; Q426-A430 PolarHBondContact O-N 3Å; A430-I432 PolarHBondContact O-N 2.69Å; A430-F433 PolarHBondContact O-N 3.25Å; A430-Y434 WeakPolarHBondContact O-CB 3.32Å; A430-Y434 PolarHBondContact O-N 3.49Å
431	S	87	Confident	88.6	Confident	47 Å²	47	37.9 Å²	37.9	33%	0.329	18%	0.182	S	C	.	.	H	α-helix	trans	-62	-31.8	-178.8	74	0	0	0	0	113.1	R427 L428 V429 Y434 C435	R427-S431 WeakPolarHBondContact O-CB 2.98Å; R427-S431 PolarHBondContact O-N 3.01Å; R427-S431 PolarHBondContact O-OG 3.38Å; L428-S431 PolarHBondContact O-N 3.38Å; L428-S431 PolarHBondContact O-OG 3.41Å; V429-S431 VanDerWaalsContact C-N 3.33Å; V429-S431 PolarHBondContact O-N 3Å; S431-Y434 PolarHBondContact O-N 3.5Å; S431-C435 WeakPolarHBondContact O-CB 3.32Å; S431-C435 PolarHBondContact O-N 3.2Å; S431-C435 PolarHBondContact O-SG 3.26Å; S431-C435 VanDerWaalsContact O-SG 3.37Å
432	I	87.9	Confident	88.9	Confident	3 Å²	3	37.8 Å²	37.8	2%	0.015	18%	0.181	C	C	.	.	H	α-helix	trans	-69.2	-44.9	-179.4	-64.8	167.9	0	0	0	109.8	Y402 A406 K409 V429 A430 C435 L436	Y402-I432 HydrophobicContact CD1-CG2 4.42Å; Y402-I432 HydrophobicContact CE1-CG2 3.81Å; Y402-I432 WeakPolarHBondContact CE1-O 3.25Å; A406-I432 HydrophobicContact CB-CB 4.49Å; A406-I432 HydrophobicContact CB-CD1 3.46Å; A406-I432 VanDerWaalsContact CB-CD1 3.46Å; A406-I432 HydrophobicContact CB-CG2 4.34Å; K409-I432 HydrophobicContact CB-CD1 4.38Å; K409-I432 HydrophobicContact CD-CD1 3.52Å; K409-I432 HydrophobicContact CD-CG1 4.16Å; V429-I432 PolarHBondContact O-N 2.81Å; A430-I432 PolarHBondContact O-N 2.69Å; I432-C435 PolarHBondContact O-N 2.86Å; I432-L436 PolarHBondContact O-N 3.25Å
433	F	88.1	Confident	89.3	Confident	26 Å²	26	38.4 Å²	38.4	11%	0.114	18%	0.183	C	C	.	.	H	α-helix	trans	-66.6	-41.7	174.6	-176.7	-113	0	0	0	111.7	V96 D100 I101 L104 L403 A430 C435 L436	V96-F433 HydrophobicContact CG1-CE2 3.81Å; V96-F433 HydrophobicContact CG1-CZ 4.18Å; V96-F433 HydrophobicContact CG2-CE2 4.34Å; D100-F433 HydrophobicContact CB-CE1 4.33Å; D100-F433 HydrophobicContact CB-CZ 4.16Å; I101-F433 HydrophobicContact CG1-CZ 4.38Å; L104-F433 HydrophobicContact CD1-CD1 4.36Å; L104-F433 HydrophobicContact CD1-CE1 3.92Å; L104-F433 HydrophobicContact CD1-CE2 4.25Å; L104-F433 HydrophobicContact CD1-CZ 3.86Å; L104-F433 HydrophobicContact CD2-CD1 4.21Å; L104-F433 HydrophobicContact CD2-CE1 4.02Å; L104-F433 HydrophobicContact CG-CE1 4.3Å; L403-F433 HydrophobicContact CD2-CD2 4.41Å; A430-F433 PolarHBondContact O-N 3.25Å; F433-C435 PolarHBondContact O-N 3.23Å; F433-L436 HydrophobicContact CD2-CD2 4.32Å; F433-L436 HydrophobicContact CE2-CD2 4.09Å; F433-L436 WeakPolarHBondContact O-CB 3.36Å; F433-L436 PolarHBondContact O-N 3.42Å
434	Y	87.2	Confident	89.6	Confident	135 Å²	135	33.9 Å²	33.9	53%	0.529	16%	0.164	S	C	.	.	H	α-helix	trans	-56.4	-37.8	175.9	-177.3	-97.8	0	0	0	112.5	L104 P105 A430 S431 L436	L104-Y434 HydrophobicContact CD2-CD2 4.42Å; P105-Y434 HydrophobicContact CB-CE2 4.48Å; P105-Y434 VanDerWaalsContact CD-CE2 3.41Å; P105-Y434 HydrophobicContact CG-CD1 4.07Å; P105-Y434 HydrophobicContact CG-CD2 4.08Å; P105-Y434 HydrophobicContact CG-CE1 3.67Å; P105-Y434 HydrophobicContact CG-CE2 3.68Å; P105-Y434 HydrophobicContact CG-CG 4.26Å; P105-Y434 VanDerWaalsContact CG-CZ 3.45Å; P105-Y434 WeakPolarHBondContact CG-O 3.34Å; A430-Y434 WeakPolarHBondContact O-CB 3.32Å; A430-Y434 PolarHBondContact O-N 3.49Å; S431-Y434 PolarHBondContact O-N 3.5Å; Y434-L436 VanDerWaalsContact C-N 3.31Å; Y434-L436 PolarHBondContact O-N 3.49Å
435	C	88.9	Confident	90	Very high	38 Å²	38	29.3 Å²	29.3	26%	0.257	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	8.9	178.5	-69.2	0	0	0	0	114.5	S431 I432 F433 L438 V439	S431-C435 WeakPolarHBondContact O-CB 3.32Å; S431-C435 PolarHBondContact O-N 3.2Å; S431-C435 PolarHBondContact O-SG 3.26Å; S431-C435 VanDerWaalsContact O-SG 3.37Å; I432-C435 PolarHBondContact O-N 2.86Å; F433-C435 PolarHBondContact O-N 3.23Å; C435-L438 WeakPolarHBondContact O-CB 3.23Å; C435-L438 PolarHBondContact O-N 3.42Å; C435-V439 WeakPolarHBondContact O-CG2 3.19Å; C435-V439 PolarHBondContact O-N 2.89Å; C435-V439 VanDerWaalsContact O-N 3.12Å
436	L	89.8	Confident	90.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.8	-51.9	-174.1	-174.9	68.6	0	0	0	112.8	I32 L104 L399 Y402 L403 I432 F433 Y434 L438 V439 A440	I32-L436 HydrophobicContact CG2-CD2 4.37Å; L104-L436 HydrophobicContact CD1-CB 4.41Å; L399-L436 HydrophobicContact CD1-CD1 3.29Å; L399-L436 HydrophobicContact CD1-CG 4.1Å; L399-L436 HydrophobicContact CD2-CD1 4.2Å; L399-L436 HydrophobicContact CG-CD1 3.72Å; Y402-L436 HydrophobicContact CD1-CD1 4.37Å; L403-L436 HydrophobicContact CD1-CD1 4.21Å; L403-L436 HydrophobicContact CD2-CD1 3.75Å; L403-L436 HydrophobicContact CG-CD1 3.87Å; I432-L436 PolarHBondContact O-N 3.25Å; F433-L436 HydrophobicContact CD2-CD2 4.32Å; F433-L436 HydrophobicContact CE2-CD2 4.09Å; F433-L436 WeakPolarHBondContact O-CB 3.36Å; F433-L436 PolarHBondContact O-N 3.42Å; Y434-L436 VanDerWaalsContact C-N 3.31Å; Y434-L436 PolarHBondContact O-N 3.49Å; L436-L438 VanDerWaalsContact C-N 3.27Å; L436-L438 PolarHBondContact O-N 2.85Å; L436-V439 PolarHBondContact O-N 3.48Å; L436-V439 VanDerWaalsContact O-N 3.14Å; L436-A440 PolarHBondContact O-N 2.9Å
437	N	90.1	Very high	90.7	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.7	-36.4	-179.8	-68.3	-29.8	0	0	0	111.8	L104 P105 Y107 V439 A440 L441	L104-N437 VanDerWaalsContact CB-ND2 3.34Å; L104-N437 WeakPolarHBondContact CB-ND2 3.49Å; P105-N437 WeakPolarHBondContact O-CB 3.24Å; P105-N437 PolarHBondContact O-ND2 2.85Å; Y107-N437 WeakPolarHBondContact CA-ND2 3.37Å; Y107-N437 WeakPolarHBondContact CB-ND2 3.45Å; Y107-N437 PolarHBondContact N-ND2 2.73Å; N437-V439 VanDerWaalsContact C-N 3.33Å; N437-V439 PolarHBondContact O-N 3.48Å; N437-A440 PolarHBondContact O-N 2.88Å; N437-L441 VanDerWaalsContact O-CB 3.31Å; N437-L441 WeakPolarHBondContact O-CB 3.2Å; N437-L441 PolarHBondContact O-N 3.21Å
438	L	90.3	Very high	91	Very high	28 Å²	28	19 Å²	19	15%	0.147	10%	0.101	C	C	.	.	H	α-helix	trans	-58.8	-46.3	175.1	179.7	72.6	0	0	0	110.8	L106 L188 I191 C435 L436 L441 Q442	L106-L438 HydrophobicContact CD2-CD1 4.05Å; L188-L438 HydrophobicContact CD2-CD1 3.34Å; I191-L438 HydrophobicContact CD1-CD1 4.3Å; C435-L438 WeakPolarHBondContact O-CB 3.23Å; C435-L438 PolarHBondContact O-N 3.42Å; L436-L438 VanDerWaalsContact C-N 3.27Å; L436-L438 PolarHBondContact O-N 2.85Å; L438-L441 PolarHBondContact O-N 2.84Å; L438-Q442 VanDerWaalsContact O-CG 3.3Å; L438-Q442 WeakPolarHBondContact O-CG 3.35Å; L438-Q442 PolarHBondContact O-N 3.43Å
439	V	90.6	Very high	91.5	Very high	3 Å²	3	17 Å²	17	2%	0.018	9%	0.091	C	C	.	.	H	α-helix	trans	-69	-41.1	179.1	177.1	0	0	0	0	111.9	K298 I302 Y402 C435 L436 N437 L441 Q442 Y443	K298-V439 VanDerWaalsContact CE-CG2 3.45Å; I302-V439 HydrophobicContact CD1-CG1 3.65Å; Y402-V439 HydrophobicContact CD1-CB 4.28Å; Y402-V439 HydrophobicContact CD1-CG1 4.19Å; Y402-V439 HydrophobicContact CD1-CG2 4.18Å; Y402-V439 HydrophobicContact CD2-CG1 4.32Å; Y402-V439 HydrophobicContact CD2-CG2 4.34Å; Y402-V439 HydrophobicContact CE1-CB 4.24Å; Y402-V439 HydrophobicContact CE1-CG2 3.73Å; Y402-V439 HydrophobicContact CE2-CG2 3.92Å; Y402-V439 HydrophobicContact CG-CG1 4.06Å; Y402-V439 HydrophobicContact CG-CG2 4.46Å; C435-V439 WeakPolarHBondContact O-CG2 3.19Å; C435-V439 PolarHBondContact O-N 2.89Å; C435-V439 VanDerWaalsContact O-N 3.12Å; L436-V439 PolarHBondContact O-N 3.48Å; L436-V439 VanDerWaalsContact O-N 3.14Å; N437-V439 VanDerWaalsContact C-N 3.33Å; N437-V439 PolarHBondContact O-N 3.48Å; V439-L441 VanDerWaalsContact C-N 3.27Å; V439-L441 PolarHBondContact O-N 2.92Å; V439-Q442 PolarHBondContact O-N 2.75Å; V439-Y443 PolarHBondContact O-N 3.43Å
440	A	92.7	Very high	91.9	Very high	3 Å²	3	16.9 Å²	16.9	3%	0.025	9%	0.09	C	C	.	.	H	α-helix	trans	-57.7	-44.1	174.9	0	0	0	0	0	110.8	L399 L436 N437 Y443 I444	L399-A440 HydrophobicContact CD1-CB 4.29Å; L399-A440 HydrophobicContact CD2-CB 4.47Å; L436-A440 PolarHBondContact O-N 2.9Å; N437-A440 PolarHBondContact O-N 2.88Å; A440-Y443 PolarHBondContact O-N 3.48Å; A440-I444 HydrophobicContact CB-CD1 4.45Å; A440-I444 WeakPolarHBondContact O-CB 3.45Å; A440-I444 WeakPolarHBondContact O-CD1 3.26Å; A440-I444 VanDerWaalsContact O-CG1 3.27Å; A440-I444 WeakPolarHBondContact O-CG1 3.45Å; A440-I444 PolarHBondContact O-N 2.91Å
441	L	92.9	Very high	92.3	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-67	-38.8	180	-152.8	60.2	0	0	0	112.8	L106 H110 L113 T184 L188 N437 L438 V439 Y443 I444 S445	L106-L441 HydrophobicContact CD2-CD2 4.09Å; H110-L441 HydrophobicContact CB-CD1 4.27Å; L113-L441 HydrophobicContact CB-CD1 4.43Å; L113-L441 HydrophobicContact CD2-CD1 3.51Å; T184-L441 HydrophobicContact CG2-CD1 3.71Å; T184-L441 HydrophobicContact CG2-CD2 3.21Å; T184-L441 HydrophobicContact CG2-CG 3.38Å; L188-L441 HydrophobicContact CD1-CB 4.17Å; L188-L441 HydrophobicContact CD1-CD2 4.14Å; L188-L441 HydrophobicContact CD1-CG 3.96Å; L188-L441 HydrophobicContact CD2-CB 4.34Å; L188-L441 HydrophobicContact CD2-CD2 3.86Å; L188-L441 HydrophobicContact CD2-CG 4.4Å; L188-L441 HydrophobicContact CG-CD2 4.07Å; L188-L441 HydrophobicContact CG-CG 4.44Å; N437-L441 VanDerWaalsContact O-CB 3.31Å; N437-L441 WeakPolarHBondContact O-CB 3.2Å; N437-L441 PolarHBondContact O-N 3.21Å; L438-L441 PolarHBondContact O-N 2.84Å; V439-L441 VanDerWaalsContact C-N 3.27Å; V439-L441 PolarHBondContact O-N 2.92Å; L441-Y443 VanDerWaalsContact C-N 3.25Å; L441-Y443 PolarHBondContact O-N 3.37Å; L441-I444 PolarHBondContact O-N 3.21Å; L441-S445 WeakPolarHBondContact O-CB 3.3Å; L441-S445 PolarHBondContact O-N 3.45Å; L441-S445 PolarHBondContact O-OG 3.28Å
442	Q	92.4	Very high	92.7	Very high	3 Å²	3	13.5 Å²	13.5	1%	0.014	6%	0.063	C	C	.	.	H	α-helix	trans	-63	-32.2	175.9	-76.7	172.4	-9.1	0	0	112.6	L188 Y192 P295 K298 L438 V439 P446	L188-Q442 HydrophobicContact CD1-CG 4.11Å; L188-Q442 HydrophobicContact CD2-CG 4.47Å; Y192-Q442 PolarHBondContact OH-NE2 3.01Å; P295-Q442 WeakPolarHBondContact CB-O 3.34Å; K298-Q442 VanDerWaalsContact CG-OE1 3.31Å; L438-Q442 VanDerWaalsContact O-CG 3.3Å; L438-Q442 WeakPolarHBondContact O-CG 3.35Å; L438-Q442 PolarHBondContact O-N 3.43Å; V439-Q442 PolarHBondContact O-N 2.75Å; Q442-P446 WeakPolarHBondContact O-CD 3.3Å; Q442-P446 WeakPolarHBondContact O-CG 3.29Å
443	Y	92.4	Very high	93.1	Very high	13 Å²	13	13.8 Å²	13.8	5%	0.051	7%	0.065	C	C	.	.	H	α-helix	trans	-82.7	-43.2	176.8	-167.1	-75.8	0	0	0	112	F299 N323 R391 T394 V395 T398 V439 A440 L441 C447	F299-Y443 AromaticContact CD2-CD2 3.71Å; F299-Y443 HydrophobicContact CD2-CD2 3.71Å; F299-Y443 AromaticContact CD2-CE2 3.41Å; F299-Y443 HydrophobicContact CD2-CE2 3.41Å; F299-Y443 VanDerWaalsContact CD2-CE2 3.41Å; F299-Y443 HydrophobicContact CE2-CD2 4.07Å; F299-Y443 AromaticContact CE2-CE2 3.27Å; F299-Y443 HydrophobicContact CE2-CE2 3.27Å; F299-Y443 AromaticContact CE2-CZ 3.85Å; N323-Y443 PolarHBondContact ND2-OH 3.39Å; R391-Y443 VanDerWaalsContact O-CE1 3.22Å; R391-Y443 WeakPolarHBondContact O-CE1 3.28Å; R391-Y443 PolarHBondContact O-OH 3.27Å; R391-Y443 VanDerWaalsContact O-OH 3.09Å; T394-Y443 PolarHBondContact OG1-OH 3.28Å; V395-Y443 HydrophobicContact CB-CD1 4.28Å; V395-Y443 HydrophobicContact CB-CE1 4.24Å; V395-Y443 HydrophobicContact CG2-CD1 3.44Å; V395-Y443 VanDerWaalsContact CG2-CD1 3.44Å; V395-Y443 HydrophobicContact CG2-CE1 3.39Å; T398-Y443 HydrophobicContact CG2-CD2 3.73Å; T398-Y443 HydrophobicContact CG2-CE2 3.73Å; V439-Y443 PolarHBondContact O-N 3.43Å; A440-Y443 PolarHBondContact O-N 3.48Å; L441-Y443 VanDerWaalsContact C-N 3.25Å; L441-Y443 PolarHBondContact O-N 3.37Å; Y443-C447 PolarHBondContact O-SG 2.77Å; Y443-C447 VanDerWaalsContact O-SG 3.35Å
444	I	94.7	Very high	93.5	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.01	6%	0.06	C	C	.	.	H	α-helix	trans	-76.8	-39	-173	-68.7	165.9	0	0	0	112.3	L31 V114 V395 A440 L441 C447 F448	L31-I444 HydrophobicContact CD1-CD1 3.72Å; V114-I444 HydrophobicContact CG2-CD1 4.19Å; V114-I444 HydrophobicContact CG2-CG2 4.19Å; V395-I444 HydrophobicContact CG1-CD1 4.01Å; V395-I444 HydrophobicContact CG1-CG1 3.98Å; V395-I444 HydrophobicContact CG2-CG1 4.08Å; A440-I444 HydrophobicContact CB-CD1 4.45Å; A440-I444 WeakPolarHBondContact O-CB 3.45Å; A440-I444 WeakPolarHBondContact O-CD1 3.26Å; A440-I444 VanDerWaalsContact O-CG1 3.27Å; A440-I444 WeakPolarHBondContact O-CG1 3.45Å; A440-I444 PolarHBondContact O-N 2.91Å; L441-I444 PolarHBondContact O-N 3.21Å; I444-C447 WeakPolarHBondContact O-CB 3.16Å; I444-C447 PolarHBondContact O-N 3.46Å; I444-C447 VanDerWaalsContact O-N 3.16Å; I444-F448 HydrophobicContact CG2-CD1 4.29Å; I444-F448 HydrophobicContact CG2-CD2 3.43Å; I444-F448 VanDerWaalsContact CG2-CD2 3.43Å; I444-F448 HydrophobicContact CG2-CE1 4.09Å; I444-F448 HydrophobicContact CG2-CE2 3.14Å; I444-F448 HydrophobicContact CG2-CG 4Å; I444-F448 HydrophobicContact CG2-CZ 3.53Å; I444-F448 PolarHBondContact O-N 3.2Å
445	S	95	Very high	93.7	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-61.3	-45.9	-172.4	-52.3	0	0	0	0	113.3	L113 L441 C447 F448 L449	L113-S445 WeakPolarHBondContact CD2-OG 3.26Å; L441-S445 WeakPolarHBondContact O-CB 3.3Å; L441-S445 PolarHBondContact O-N 3.45Å; L441-S445 PolarHBondContact O-OG 3.28Å; S445-C447 VanDerWaalsContact C-N 3.35Å; S445-C447 PolarHBondContact O-N 3.41Å; S445-F448 PolarHBondContact O-N 2.92Å; S445-L449 WeakPolarHBondContact O-CB 3.29Å; S445-L449 PolarHBondContact O-N 3.43Å
446	P	95.7	Very high	93.9	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-61	-39.5	173.7	-23	33.7	0	0	0	113.5	L185 F292 P295 Q442 F448 L449 F450 W554	L185-P446 HydrophobicContact CD2-CG 4.38Å; F292-P446 HydrophobicContact CD1-CB 4.14Å; F292-P446 HydrophobicContact CD1-CG 4.11Å; F292-P446 HydrophobicContact CE1-CB 3.69Å; F292-P446 HydrophobicContact CE1-CG 4.01Å; F292-P446 HydrophobicContact CZ-CB 4.31Å; P295-P446 HydrophobicContact CB-CG 3.68Å; P295-P446 HydrophobicContact CG-CG 4.17Å; Q442-P446 WeakPolarHBondContact O-CD 3.3Å; Q442-P446 WeakPolarHBondContact O-CG 3.29Å; P446-F448 PolarHBondContact O-N 2.86Å; P446-L449 PolarHBondContact O-N 3.48Å; P446-F450 WeakPolarHBondContact O-CB 3.18Å; P446-F450 PolarHBondContact O-N 3.29Å; P446-W554 HydrophobicContact CB-CD2 3.94Å; P446-W554 HydrophobicContact CB-CE3 4.35Å; P446-W554 HydrophobicContact CB-CG 4.37Å; P446-W554 HydrophobicContact CB-CH2 4.32Å; P446-W554 HydrophobicContact CB-CZ2 3.96Å
447	C	95.5	Very high	94	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-59.7	-47.3	176	-65.1	0	0	0	0	111.2	V388 L392 Y443 I444 S445 F450 L451 W554	V388-C447 HydrophobicContact CG2-CB 4.02Å; V388-C447 VanDerWaalsContact CG2-O 3.31Å; V388-C447 WeakPolarHBondContact CG2-O 3.23Å; L392-C447 HydrophobicContact CD2-CB 3.54Å; L392-C447 HydrophobicContact CG-CB 3.93Å; Y443-C447 PolarHBondContact O-SG 2.77Å; Y443-C447 VanDerWaalsContact O-SG 3.35Å; I444-C447 WeakPolarHBondContact O-CB 3.16Å; I444-C447 PolarHBondContact O-N 3.46Å; I444-C447 VanDerWaalsContact O-N 3.16Å; S445-C447 VanDerWaalsContact C-N 3.35Å; S445-C447 PolarHBondContact O-N 3.41Å; C447-F450 PolarHBondContact O-N 3.29Å; C447-L451 WeakPolarHBondContact O-CB 3.47Å; C447-L451 PolarHBondContact O-N 3.01Å; C447-W554 WeakPolarHBondContact SG-CH2 3.22Å
448	F	96.4	Very high	94	Very high	11 Å²	11	5.5 Å²	5.5	5%	0.048	3%	0.028	C	C	.	.	H	α-helix	trans	-70.2	-38.3	-179.7	-73	-13.6	0	0	0	113.1	L113 V114 T117 T181 L392 I444 S445 P446 F450 L451 C452	L113-F448 HydrophobicContact CD2-CD2 4.22Å; L113-F448 HydrophobicContact CG-CD2 4.03Å; L113-F448 HydrophobicContact CG-CE2 4.38Å; V114-F448 HydrophobicContact CB-CE2 4.41Å; V114-F448 HydrophobicContact CG2-CE2 4.01Å; V114-F448 HydrophobicContact CG2-CZ 4.41Å; T117-F448 HydrophobicContact CG2-CB 4.06Å; T117-F448 HydrophobicContact CG2-CD1 3.75Å; T117-F448 HydrophobicContact CG2-CD2 3.78Å; T117-F448 HydrophobicContact CG2-CE1 4.04Å; T117-F448 HydrophobicContact CG2-CE2 4.08Å; T117-F448 HydrophobicContact CG2-CG 3.62Å; T117-F448 HydrophobicContact CG2-CZ 4.19Å; T181-F448 HydrophobicContact CG2-CB 3.46Å; T181-F448 VanDerWaalsContact CG2-CB 3.46Å; L392-F448 HydrophobicContact CD1-CD1 4.35Å; L392-F448 HydrophobicContact CD1-CE1 4.14Å; L392-F448 HydrophobicContact CD2-CD1 4.01Å; L392-F448 HydrophobicContact CD2-CE1 3.68Å; I444-F448 HydrophobicContact CG2-CD1 4.29Å; I444-F448 HydrophobicContact CG2-CD2 3.43Å; I444-F448 VanDerWaalsContact CG2-CD2 3.43Å; I444-F448 HydrophobicContact CG2-CE1 4.09Å; I444-F448 HydrophobicContact CG2-CE2 3.14Å; I444-F448 HydrophobicContact CG2-CG 4Å; I444-F448 HydrophobicContact CG2-CZ 3.53Å; I444-F448 PolarHBondContact O-N 3.2Å; S445-F448 PolarHBondContact O-N 2.92Å; P446-F448 PolarHBondContact O-N 2.86Å; F448-F450 VanDerWaalsContact C-N 3.33Å; F448-F450 PolarHBondContact O-N 2.87Å; F448-L451 PolarHBondContact O-N 3.41Å; F448-C452 WeakPolarHBondContact O-CB 3.41Å; F448-C452 PolarHBondContact O-N 3.31Å; F448-C452 PolarHBondContact O-SG 3.16Å
449	L	96.8	Very high	93.9	Very high	3 Å²	3	6.3 Å²	6.3	2%	0.016	3%	0.032	C	C	.	.	H	α-helix	trans	-58.1	-49.4	173.4	-176.3	161.1	0	0	0	109.9	L178 I182 L185 F292 S445 P446 L451 C452 L453 T550	L178-L449 HydrophobicContact CD1-CG 4.02Å; I182-L449 HydrophobicContact CG1-CD1 4.01Å; L185-L449 HydrophobicContact CD1-CD1 3.47Å; L185-L449 VanDerWaalsContact CD1-CD1 3.47Å; F292-L449 HydrophobicContact CE1-CD1 4.33Å; F292-L449 HydrophobicContact CZ-CD1 4.17Å; F292-L449 HydrophobicContact CZ-CD2 4.1Å; S445-L449 WeakPolarHBondContact O-CB 3.29Å; S445-L449 PolarHBondContact O-N 3.43Å; P446-L449 PolarHBondContact O-N 3.48Å; L449-L451 PolarHBondContact O-N 3.07Å; L449-C452 PolarHBondContact O-N 3.28Å; L449-L453 HydrophobicContact CD2-CD1 3.52Å; L449-L453 HydrophobicContact CD2-CG 4.13Å; L449-L453 WeakPolarHBondContact O-CG 3.44Å; L449-L453 PolarHBondContact O-N 2.97Å; L449-T550 HydrophobicContact CD2-CG2 3.44Å; L449-T550 VanDerWaalsContact CD2-CG2 3.44Å
450	F	97	Very high	93.7	Very high	1 Å²	1	9 Å²	9	0%	0.004	5%	0.047	C	C	.	.	H	α-helix	trans	-61.6	-44.8	177.4	-179.8	-99.6	0	0	0	112.4	V388 P446 C447 F448 C452 L453 L454 V547 T550 L551	V388-F450 HydrophobicContact CB-CD1 3.74Å; V388-F450 HydrophobicContact CB-CE1 4.06Å; V388-F450 HydrophobicContact CG1-CD1 4.31Å; V388-F450 HydrophobicContact CG2-CD1 3.82Å; P446-F450 WeakPolarHBondContact O-CB 3.18Å; P446-F450 PolarHBondContact O-N 3.29Å; C447-F450 PolarHBondContact O-N 3.29Å; F448-F450 VanDerWaalsContact C-N 3.33Å; F448-F450 PolarHBondContact O-N 2.87Å; F450-C452 VanDerWaalsContact C-N 3.35Å; F450-C452 PolarHBondContact O-N 2.83Å; F450-L453 PolarHBondContact O-N 3.38Å; F450-L454 HydrophobicContact CE1-CD2 4.28Å; F450-L454 VanDerWaalsContact O-CB 3.3Å; F450-L454 WeakPolarHBondContact O-CB 3.34Å; F450-L454 PolarHBondContact O-N 2.95Å; F450-V547 HydrophobicContact CE2-CG1 3.72Å; F450-V547 WeakPolarHBondContact CE2-O 3.18Å; F450-V547 HydrophobicContact CZ-CG1 4.13Å; F450-T550 HydrophobicContact CB-CG2 4.17Å; F450-T550 HydrophobicContact CD2-CG2 4.08Å; F450-L551 HydrophobicContact CD2-CB 4.22Å; F450-L551 HydrophobicContact CD2-CD1 4.3Å; F450-L551 HydrophobicContact CE2-CB 3.74Å; F450-L551 HydrophobicContact CE2-CD1 4.04Å; F450-L551 HydrophobicContact CE2-CD2 4.06Å; F450-L551 HydrophobicContact CE2-CG 4.18Å; F450-L551 HydrophobicContact CZ-CB 4.43Å; F450-L551 HydrophobicContact CZ-CD1 4.15Å; F450-L551 HydrophobicContact CZ-CD2 3.92Å; F450-L551 HydrophobicContact CZ-CG 4.42Å
451	L	96.5	Very high	93.1	Very high	14 Å²	14	9.4 Å²	9.4	7%	0.073	5%	0.049	C	C	.	.	H	α-helix	trans	-59.9	-44.1	177.4	-175	152	0	0	0	111.5	M174 V388 L392 C447 F448 L449 L454 C455	M174-L451 HydrophobicContact CE-CD2 3.78Å; V388-L451 HydrophobicContact CG1-CB 4.36Å; V388-L451 HydrophobicContact CG1-CD1 4.25Å; V388-L451 HydrophobicContact CG2-CB 4.39Å; L392-L451 HydrophobicContact CD1-CD1 4.13Å; C447-L451 WeakPolarHBondContact O-CB 3.47Å; C447-L451 PolarHBondContact O-N 3.01Å; F448-L451 PolarHBondContact O-N 3.41Å; L449-L451 PolarHBondContact O-N 3.07Å; L451-L454 PolarHBondContact O-N 3.46Å; L451-C455 PolarHBondContact O-N 3.36Å; L451-C455 PolarHBondContact O-SG 3.19Å
452	C	96.3	Very high	92.3	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-64.9	-44.7	178.1	-63.9	0	0	0	0	111.7	M174 S177 L178 F448 L449 F450 L454 C455 L456	M174-C452 HydrophobicContact CE-CB 4.08Å; S177-C452 PolarHBondContact OG-SG 2.8Å; L178-C452 HydrophobicContact CB-CB 3.96Å; L178-C452 HydrophobicContact CD1-CB 4.07Å; F448-C452 WeakPolarHBondContact O-CB 3.41Å; F448-C452 PolarHBondContact O-N 3.31Å; F448-C452 PolarHBondContact O-SG 3.16Å; L449-C452 PolarHBondContact O-N 3.28Å; F450-C452 VanDerWaalsContact C-N 3.35Å; F450-C452 PolarHBondContact O-N 2.83Å; C452-L454 VanDerWaalsContact C-N 3.31Å; C452-L454 PolarHBondContact O-N 3.17Å; C452-C455 PolarHBondContact O-N 3.34Å; C452-L456 WeakPolarHBondContact O-CB 3.46Å; C452-L456 VanDerWaalsContact O-CG 3.31Å; C452-L456 WeakPolarHBondContact O-CG 3.2Å; C452-L456 PolarHBondContact O-N 2.98Å
453	L	96.1	Very high	91.6	Very high	9 Å²	9	12.7 Å²	12.7	5%	0.047	8%	0.077	C	C	.	.	H	α-helix	trans	-61.5	-39.5	174.7	-73.3	-179.3	0	0	0	112.1	L178 L449 F450 L456 Y457 F543 L546 V547 T550	L178-L453 HydrophobicContact CD1-CD2 4.01Å; L178-L453 HydrophobicContact CD1-CG 3.97Å; L178-L453 HydrophobicContact CD2-CD2 3.87Å; L449-L453 HydrophobicContact CD2-CD1 3.52Å; L449-L453 HydrophobicContact CD2-CG 4.13Å; L449-L453 WeakPolarHBondContact O-CG 3.44Å; L449-L453 PolarHBondContact O-N 2.97Å; F450-L453 PolarHBondContact O-N 3.38Å; L453-L456 PolarHBondContact O-N 3.37Å; L453-Y457 VanDerWaalsContact O-CB 3.3Å; L453-Y457 WeakPolarHBondContact O-CB 3.42Å; L453-Y457 PolarHBondContact O-N 3.31Å; L453-F543 HydrophobicContact CD2-CD1 4.3Å; L453-F543 HydrophobicContact CD2-CE1 4.17Å; L453-L546 HydrophobicContact CD1-CB 4.45Å; L453-V547 HydrophobicContact CB-CG2 4.07Å; L453-T550 HydrophobicContact CD1-CG2 4.29Å; L453-T550 VanDerWaalsContact CD1-OG1 3.29Å; L453-T550 WeakPolarHBondContact CD1-OG1 3.5Å
454	L	95.2	Very high	90.9	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-65.3	-43.9	178.2	-172.8	68.5	0	0	0	111.8	L381 L385 F450 L451 C452 Y457 K458 V547	L381-L454 HydrophobicContact CD2-CD1 3.55Å; L381-L454 HydrophobicContact CD2-CG 4.33Å; L385-L454 HydrophobicContact CB-CD2 3.86Å; L385-L454 HydrophobicContact CD1-CD2 4.21Å; F450-L454 HydrophobicContact CE1-CD2 4.28Å; F450-L454 VanDerWaalsContact O-CB 3.3Å; F450-L454 WeakPolarHBondContact O-CB 3.34Å; F450-L454 PolarHBondContact O-N 2.95Å; L451-L454 PolarHBondContact O-N 3.46Å; C452-L454 VanDerWaalsContact C-N 3.31Å; C452-L454 PolarHBondContact O-N 3.17Å; L454-Y457 PolarHBondContact O-N 3.39Å; L454-K458 PolarHBondContact O-N 3.14Å; L454-V547 HydrophobicContact CD1-CG1 4.02Å
455	C	93.2	Very high	89.8	Confident	7 Å²	7	16 Å²	16	5%	0.047	10%	0.097	C	C	.	.	H	α-helix	trans	-63.7	-43.2	174.8	-69.3	0	0	0	0	111.6	Y124 M174 L451 C452 K458 N459	Y124-C455 HydrophobicContact CE1-CB 4.23Å; M174-C455 HydrophobicContact CE-CB 3.86Å; M174-C455 HydrophobicContact CG-CB 4.32Å; L451-C455 PolarHBondContact O-N 3.36Å; L451-C455 PolarHBondContact O-SG 3.19Å; C452-C455 PolarHBondContact O-N 3.34Å; C455-K458 PolarHBondContact O-N 2.82Å; C455-N459 PolarHBondContact O-N 2.9Å; C455-N459 PolarHBondContact O-ND2 3.18Å
456	L	92.7	Very high	88.3	Confident	7 Å²	7	21 Å²	21	4%	0.037	12%	0.124	C	C	.	.	H	α-helix	trans	-63.1	-45.8	175.9	-71.3	172.1	0	0	0	111.3	L171 M174 L178 C452 L453 K458 N459 L460 F543	L171-L456 HydrophobicContact CB-CD2 4.47Å; L171-L456 HydrophobicContact CD2-CD2 4.14Å; M174-L456 HydrophobicContact CB-CD2 4.29Å; M174-L456 HydrophobicContact CB-CG 4.48Å; L178-L456 HydrophobicContact CD2-CD1 3.79Å; C452-L456 WeakPolarHBondContact O-CB 3.46Å; C452-L456 VanDerWaalsContact O-CG 3.31Å; C452-L456 WeakPolarHBondContact O-CG 3.2Å; C452-L456 PolarHBondContact O-N 2.98Å; L453-L456 PolarHBondContact O-N 3.37Å; L456-K458 PolarHBondContact O-N 3.4Å; L456-N459 PolarHBondContact O-N 3.41Å; L456-L460 HydrophobicContact CB-CD1 4.16Å; L456-L460 HydrophobicContact CD2-CD1 4.48Å; L456-L460 VanDerWaalsContact O-CB 3.26Å; L456-L460 WeakPolarHBondContact O-CB 3.43Å; L456-L460 VanDerWaalsContact O-CG 3.25Å; L456-L460 WeakPolarHBondContact O-CG 3.06Å; L456-L460 PolarHBondContact O-N 3.01Å; L456-F543 HydrophobicContact CB-CD1 4.12Å; L456-F543 HydrophobicContact CB-CE1 3.74Å; L456-F543 HydrophobicContact CB-CZ 4.36Å; L456-F543 HydrophobicContact CD1-CE1 4.03Å
457	Y	92.4	Very high	86.4	Confident	4 Å²	4	23.8 Å²	23.8	2%	0.016	14%	0.141	C	C	.	.	H	α-helix	trans	-54.4	-51.5	176.7	174.8	-127.9	0	0	0	111.3	W334 L381 L453 L454 N459 S461 L463 R540 F543 V547	W334-Y457 HydrophobicContact CH2-CE1 4.09Å; W334-Y457 AromaticContact CH2-CZ 3.85Å; W334-Y457 HydrophobicContact CZ2-CE1 4.12Å; L381-Y457 HydrophobicContact CD2-CD1 3.38Å; L381-Y457 HydrophobicContact CD2-CE1 3.63Å; L381-Y457 HydrophobicContact CG-CD1 4.43Å; L381-Y457 HydrophobicContact CG-CE1 4.23Å; L453-Y457 VanDerWaalsContact O-CB 3.3Å; L453-Y457 WeakPolarHBondContact O-CB 3.42Å; L453-Y457 PolarHBondContact O-N 3.31Å; L454-Y457 PolarHBondContact O-N 3.39Å; Y457-N459 PolarHBondContact O-N 3.4Å; Y457-S461 WeakPolarHBondContact O-CB 3.32Å; Y457-S461 PolarHBondContact O-N 2.86Å; Y457-S461 PolarHBondContact O-OG 3.04Å; Y457-L463 HydrophobicContact CD1-CD1 4.5Å; Y457-L463 HydrophobicContact CE1-CD1 3.72Å; Y457-L463 HydrophobicContact CE2-CD1 4.28Å; Y457-R540 HydrophobicContact CE2-CG 4.29Å; Y457-R540 WeakPolarHBondContact CE2-O 3.23Å; Y457-F543 HydrophobicContact CD2-CB 3.66Å; Y457-F543 HydrophobicContact CG-CB 4.17Å; Y457-V547 HydrophobicContact CD1-CG2 4.4Å; Y457-V547 HydrophobicContact CG-CG2 4.26Å
458	K	89.8	Confident	84.3	Confident	5 Å²	5	32.4 Å²	32.4	2%	0.022	18%	0.175	C	C	.	.	H	α-helix	trans	-53.5	-52.8	179.4	175.2	-177.8	165.4	-119.2	0	112.3	Y124 E128 L381 L454 C455 L456 S461 G462 L463 W465	Y124-K458 PolarHBondContact OH-NZ 3.43Å; E128-K458 IonicContact OE1-NZ 3.92Å; L381-K458 HydrophobicContact CD1-CB 4.12Å; L381-K458 HydrophobicContact CD1-CG 4.15Å; L381-K458 HydrophobicContact CD2-CB 4.36Å; L454-K458 PolarHBondContact O-N 3.14Å; C455-K458 PolarHBondContact O-N 2.82Å; L456-K458 PolarHBondContact O-N 3.4Å; K458-S461 PolarHBondContact O-OG 3.29Å; K458-G462 PolarHBondContact O-N 3.07Å; K458-L463 WeakPolarHBondContact CE-O 3.41Å; K458-L463 HydrophobicContact CG-CB 4.48Å; K458-L463 VanDerWaalsContact CG-O 3.26Å; K458-L463 WeakPolarHBondContact CG-O 3.35Å; K458-L463 PolarHBondContact O-N 3.25Å; K458-W465 HydrophobicContact CD-CD2 3.75Å; K458-W465 HydrophobicContact CD-CE3 4.49Å; K458-W465 HydrophobicContact CD-CG 4.06Å; K458-W465 HydrophobicContact CD-CH2 4.31Å; K458-W465 HydrophobicContact CD-CZ2 3.59Å
459	N	87.1	Confident	81.7	Confident	45 Å²	45	36.2 Å²	36.2	24%	0.241	20%	0.196	C	C	.	.	H	α-helix	trans	-77.7	-39.2	-171.4	-64.8	-84.1	0	0	0	112.5	Y124 L171 C455 L456 Y457 S461 G462	Y124-N459 WeakPolarHBondContact CE2-ND2 3.41Å; Y124-N459 VanDerWaalsContact CZ-ND2 3.32Å; Y124-N459 PolarHBondContact OH-ND2 3.45Å; L171-N459 HydrophobicContact CD1-CB 4.13Å; L171-N459 HydrophobicContact CD2-CB 3.61Å; L171-N459 HydrophobicContact CG-CB 4.45Å; C455-N459 PolarHBondContact O-N 2.9Å; C455-N459 PolarHBondContact O-ND2 3.18Å; L456-N459 PolarHBondContact O-N 3.41Å; Y457-N459 PolarHBondContact O-N 3.4Å; N459-S461 VanDerWaalsContact C-N 3.34Å; N459-G462 PolarHBondContact O-N 2.89Å
460	L	86	Confident	79	Confident	61 Å²	61	44.5 Å²	44.5	32%	0.319	23%	0.228	S	C	.	.	H	α-helix	trans	-71.4	-32	-179.2	-64.9	172.7	0	0	0	111.8	L456 G462 M536 A539 F543	L456-L460 HydrophobicContact CB-CD1 4.16Å; L456-L460 HydrophobicContact CD2-CD1 4.48Å; L456-L460 VanDerWaalsContact O-CB 3.26Å; L456-L460 WeakPolarHBondContact O-CB 3.43Å; L456-L460 VanDerWaalsContact O-CG 3.25Å; L456-L460 WeakPolarHBondContact O-CG 3.06Å; L456-L460 PolarHBondContact O-N 3.01Å; L460-G462 VanDerWaalsContact C-N 3.32Å; L460-M536 WeakPolarHBondContact O-CA 3.4Å; L460-M536 WeakPolarHBondContact O-CG 3.46Å; L460-A539 HydrophobicContact CB-CB 3.71Å; L460-F543 HydrophobicContact CD1-CD2 3.91Å; L460-F543 HydrophobicContact CD1-CE1 4.24Å; L460-F543 HydrophobicContact CD1-CE2 3.3Å; L460-F543 HydrophobicContact CD1-CZ 3.49Å; L460-F543 VanDerWaalsContact CD1-CZ 3.49Å
461	S	81.9	Confident	76	Confident	11 Å²	11	50.9 Å²	50.9	8%	0.077	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-8.6	174.4	63.7	0	0	0	0	114	Y457 K458 N459 L463	Y457-S461 WeakPolarHBondContact O-CB 3.32Å; Y457-S461 PolarHBondContact O-N 2.86Å; Y457-S461 PolarHBondContact O-OG 3.04Å; K458-S461 PolarHBondContact O-OG 3.29Å; N459-S461 VanDerWaalsContact C-N 3.34Å; S461-L463 VanDerWaalsContact C-N 3.33Å; S461-L463 WeakPolarHBondContact OG-CD1 3.46Å; S461-L463 WeakPolarHBondContact OG-CG 3.29Å
462	G	76.3	Confident	73	Confident	44 Å²	44	58 Å²	58	45%	0.454	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	25.7	-175.5	0	0	0	0	0	114.4	K458 N459 L460	K458-G462 PolarHBondContact O-N 3.07Å; N459-G462 PolarHBondContact O-N 2.89Å; L460-G462 VanDerWaalsContact C-N 3.32Å
463	L	77.7	Confident	70.2	Confident	28 Å²	28	62.2 Å²	62.2	15%	0.147	31%	0.311	C	S	.	.			trans	-78.9	141.2	177.4	-69.1	168.8	0	0	0	111.4	N377 L381 Y457 K458 S461	N377-L463 HydrophobicContact CB-CD1 4.23Å; N377-L463 HydrophobicContact CB-CD2 3.6Å; L381-L463 HydrophobicContact CD1-CB 3.63Å; L381-L463 HydrophobicContact CD1-CD1 3.7Å; L381-L463 HydrophobicContact CD1-CG 4.28Å; L381-L463 HydrophobicContact CG-CD1 4.32Å; Y457-L463 HydrophobicContact CD1-CD1 4.5Å; Y457-L463 HydrophobicContact CE1-CD1 3.72Å; Y457-L463 HydrophobicContact CE2-CD1 4.28Å; K458-L463 WeakPolarHBondContact CE-O 3.41Å; K458-L463 HydrophobicContact CG-CB 4.48Å; K458-L463 VanDerWaalsContact CG-O 3.26Å; K458-L463 WeakPolarHBondContact CG-O 3.35Å; K458-L463 PolarHBondContact O-N 3.25Å; S461-L463 VanDerWaalsContact C-N 3.33Å; S461-L463 WeakPolarHBondContact OG-CD1 3.46Å; S461-L463 WeakPolarHBondContact OG-CG 3.29Å
464	S	76.4	Confident	67.3	Low	52 Å²	52	69.1 Å²	69.1	36%	0.364	34%	0.342	S	S	.	.			trans	-95.2	150.9	171.6	61.5	0	0	0	0	111.4	S378 L466	S378-S464 WeakPolarHBondContact CB-O 3.3Å; S378-S464 PolarHBondContact OG-O 3.43Å; S464-L466 PolarHBondContact OG-O 3.38Å
465	W	71.5	Confident	64.3	Low	34 Å²	34	78.6 Å²	78.6	13%	0.129	38%	0.38	C	S	.	.	S	Bend	trans	-72.4	-45.7	169.9	-67.9	120.3	0	0	0	111.2	L381 I382 L385 K458	L381-W465 HydrophobicContact CB-CE3 4.32Å; L381-W465 HydrophobicContact CB-CZ3 3.92Å; I382-W465 WeakPolarHBondContact CD1-O 3.24Å; I382-W465 HydrophobicContact CG1-CE3 3.87Å; I382-W465 HydrophobicContact CG1-CZ3 4.35Å; L385-W465 HydrophobicContact CB-CH2 4.04Å; L385-W465 HydrophobicContact CB-CZ3 4.07Å; L385-W465 HydrophobicContact CD1-CH2 4.34Å; L385-W465 HydrophobicContact CD2-CH2 3.57Å; L385-W465 HydrophobicContact CD2-CZ2 4.1Å; L385-W465 HydrophobicContact CD2-CZ3 3.82Å; L385-W465 HydrophobicContact CG-CH2 4.18Å; K458-W465 HydrophobicContact CD-CD2 3.75Å; K458-W465 HydrophobicContact CD-CE3 4.49Å; K458-W465 HydrophobicContact CD-CG 4.06Å; K458-W465 HydrophobicContact CD-CH2 4.31Å; K458-W465 HydrophobicContact CD-CZ2 3.59Å
466	L	64.9	Low	61.3	Low	105 Å²	105	83.7 Å²	83.7	55%	0.55	41%	0.406	S	S	.	.	S	Bend	trans	-83.4	138.8	-177.7	-79.5	133.9	0	0	0	110.7	S464 Y468	S464-L466 PolarHBondContact OG-O 3.38Å; L466-Y468 HydrophobicContact CB-CD2 4.19Å; L466-Y468 PolarHBondContact O-N 3.47Å
467	P	55.5	Low	59	Low	57 Å²	57	87.8 Å²	87.8	37%	0.37	42%	0.421	S	S	.	.			trans	-70.8	71.8	164.9	32.7	-34.1	0	0	0	108.6	H375	H375-P467 HydrophobicContact CB-CB 4.12Å; H375-P467 WeakPolarHBondContact CD2-CB 3.31Å; H375-P467 VanDerWaalsContact CG-CB 3.42Å; H375-P467 WeakPolarHBondContact NE2-CB 3.42Å
468	Y	49.8	Very low	56.3	Low	181 Å²	181	93 Å²	93	71%	0.71	46%	0.458	S	S	*	.			trans	-85.4	127.4	163.3	-108.8	-85.8	0	0	0	107.2	L466 Y470	L466-Y468 HydrophobicContact CB-CD2 4.19Å; L466-Y468 PolarHBondContact O-N 3.47Å; Y468-Y470 PolarHBondContact O-N 3.26Å
469	D	41.8	Very low	53.7	Low	92 Å²	92	96.4 Å²	96.4	49%	0.492	48%	0.483	S	S	.	.			trans	-64.8	85.2	171.8	-78.4	-50.2	0	0	0	108.9	K374 H471	K374-D469 IonicContact NZ-OD1 3.61Å; D469-H471 PolarHBondContact O-N 3.33Å
470	Y	40.8	Very low	50.9	Low	176 Å²	176	98.7 Å²	98.7	69%	0.69	50%	0.495	S	S	*	.			trans	-70.5	82.6	155.9	-103.4	-81.3	0	0	0	107.2	Y468 Q472	Y468-Y470 PolarHBondContact O-N 3.26Å; Y470-Q472 PolarHBondContact O-N 3.33Å
471	H	33.5	Very low	48.7	Very low	136 Å²	136	98.7 Å²	98.7	63%	0.63	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	10.1	-179.5	-110.1	-67	0	0	0	114.8	D469	D469-H471 PolarHBondContact O-N 3.33Å
472	Q	34.2	Very low	46.5	Very low	164 Å²	164	105 Å²	105	77%	0.766	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.4	-0	-168.9	-120.4	174.1	-3.1	0	0	117.8	Y470	Y470-Q472 PolarHBondContact O-N 3.33Å
473	Q	38.6	Very low	44.8	Very low	88 Å²	88	109 Å²	109	41%	0.411	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-42.9	176.8	-113.8	166.4	7.7	0	0	112.4	Y475 L476 Y477	Q473-Y475 VanDerWaalsContact C-N 3.29Å; Q473-Y475 PolarHBondContact O-N 3.42Å; Q473-Y475 VanDerWaalsContact O-N 3.16Å; Q473-L476 PolarHBondContact O-N 3.18Å; Q473-Y477 VanDerWaalsContact C-CE2 3.46Å; Q473-Y477 HydrophobicContact CB-CE2 3.81Å; Q473-Y477 HydrophobicContact CG-CE2 3.98Å; Q473-Y477 WeakPolarHBondContact O-CD2 3.47Å; Q473-Y477 WeakPolarHBondContact O-CE2 3.43Å
474	Q	34.8	Very low	43	Very low	153 Å²	153	111.6 Å²	111.6	72%	0.715	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-63.9	-27.1	-171.4	-143.2	153.4	-7.4	0	0	115.1	L476 Y477	Q474-L476 VanDerWaalsContact C-N 3.3Å; Q474-L476 PolarHBondContact O-N 2.89Å; Q474-Y477 PolarHBondContact O-N 3.3Å
475	Y	31.7	Very low	41.5	Very low	201 Å²	201	112.4 Å²	112.4	79%	0.788	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-74.8	-14.6	175.2	-70.4	-75.6	0	0	0	114.3	Q473	Q473-Y475 VanDerWaalsContact C-N 3.29Å; Q473-Y475 PolarHBondContact O-N 3.42Å; Q473-Y475 VanDerWaalsContact O-N 3.16Å
476	L	29.5	Very low	40.3	Very low	114 Å²	114	114.9 Å²	114.9	60%	0.597	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-87.5	-5.7	175	-139.4	81.1	0	0	0	113.2	Q473 Q474	Q473-L476 PolarHBondContact O-N 3.18Å; Q474-L476 VanDerWaalsContact C-N 3.3Å; Q474-L476 PolarHBondContact O-N 2.89Å
477	Y	44	Very low	39.6	Very low	92 Å²	92	113.1 Å²	113.1	36%	0.361	57%	0.574	S	S	.	*	S	Bend	trans	-92.2	-8.7	-166.9	-77.8	-86.2	0	0	0	117.1	Q473 Q474 F533	Q473-Y477 VanDerWaalsContact C-CE2 3.46Å; Q473-Y477 HydrophobicContact CB-CE2 3.81Å; Q473-Y477 HydrophobicContact CG-CE2 3.98Å; Q473-Y477 WeakPolarHBondContact O-CD2 3.47Å; Q473-Y477 WeakPolarHBondContact O-CE2 3.43Å; Q474-Y477 PolarHBondContact O-N 3.3Å; Y477-F533 HydrophobicContact CD1-CE2 4.04Å; Y477-F533 AromaticContact CD1-CZ 3.99Å; Y477-F533 HydrophobicContact CD1-CZ 3.99Å; Y477-F533 HydrophobicContact CE1-CD2 4.42Å; Y477-F533 AromaticContact CE1-CE2 3.35Å; Y477-F533 HydrophobicContact CE1-CE2 3.35Å; Y477-F533 AromaticContact CE1-CZ 3.77Å; Y477-F533 HydrophobicContact CE1-CZ 3.77Å
478	S	36	Very low	39.5	Very low	114 Å²	114	113 Å²	113	80%	0.797	57%	0.568	S	S	*	*	S	Bend	trans	-128.4	-1.5	-166.5	-56.9	0	0	0	0	117.3
479	S	35.1	Very low	39.8	Very low	76 Å²	76	107.3 Å²	107.3	53%	0.531	55%	0.552	S	S	.	*	S	Bend	trans	-145.5	-37.2	178.3	57.1	0	0	0	0	115
480	D	29.5	Very low	40.7	Very low	94 Å²	94	105.6 Å²	105.6	50%	0.503	55%	0.547	S	S	.	.	S	Bend	trans	-93.8	-17	-163.9	-68.8	5.8	0	0	0	114.2	L482 N483 V484	D480-L482 VanDerWaalsContact C-N 3.35Å; D480-L482 PolarHBondContact O-N 3.15Å; D480-N483 PolarHBondContact O-N 2.82Å; D480-V484 WeakPolarHBondContact O-CG2 3.14Å; D480-V484 PolarHBondContact O-N 2.98Å
481	T	39.4	Very low	41.8	Very low	60 Å²	60	101.4 Å²	101.4	37%	0.368	54%	0.537	S	S	.	.	H	α-helix	trans	-71.7	-26.3	179.7	54.3	0	0	0	0	113.6	N483 V484 L485	T481-N483 PolarHBondContact O-N 2.81Å; T481-V484 PolarHBondContact O-N 3.18Å; T481-L485 PolarHBondContact O-N 3.07Å
482	L	36.6	Very low	43.1	Very low	145 Å²	145	96.3 Å²	96.3	76%	0.759	51%	0.514	S	S	*	.	H	α-helix	trans	-65.2	-28.4	177.8	-139.5	90.2	0	0	0	111.9	D480	D480-L482 VanDerWaalsContact C-N 3.35Å; D480-L482 PolarHBondContact O-N 3.15Å
483	N	38.7	Very low	44.6	Very low	128 Å²	128	92.6 Å²	92.6	68%	0.684	50%	0.496	S	S	*	.	H	α-helix	trans	-90.7	-20.9	178.9	-68.1	-13.6	0	0	0	113.2	D480 T481	D480-N483 PolarHBondContact O-N 2.82Å; T481-N483 PolarHBondContact O-N 2.81Å
484	V	41.8	Very low	45.9	Very low	81 Å²	81	92.5 Å²	92.5	49%	0.491	50%	0.499	S	S	.	.	H	α-helix	trans	-89.2	-24.9	179.5	178.2	0	0	0	0	112.1	D480 T481 S487 F488	D480-V484 WeakPolarHBondContact O-CG2 3.14Å; D480-V484 PolarHBondContact O-N 2.98Å; T481-V484 PolarHBondContact O-N 3.18Å; V484-S487 PolarHBondContact O-N 3.13Å; V484-S487 PolarHBondContact O-OG 2.83Å; V484-F488 WeakPolarHBondContact O-CB 3.25Å; V484-F488 PolarHBondContact O-N 2.87Å
485	L	43	Very low	47.4	Very low	70 Å²	70	87.5 Å²	87.5	37%	0.366	48%	0.477	S	S	.	.	H	α-helix	trans	-58	-43.4	179.5	-168.3	69.1	0	0	0	113.7	T481 F488 V489 H530	T481-L485 PolarHBondContact O-N 3.07Å; L485-F488 PolarHBondContact O-N 3.33Å; L485-V489 HydrophobicContact CD1-CG2 4.35Å; L485-V489 HydrophobicContact CG-CG2 4.45Å; L485-V489 WeakPolarHBondContact O-CB 3.32Å; L485-V489 VanDerWaalsContact O-CG2 3.29Å; L485-V489 WeakPolarHBondContact O-CG2 3.18Å; L485-V489 PolarHBondContact O-N 3.02Å; L485-H530 WeakPolarHBondContact CD1-NE2 3.37Å
486	P	46.1	Very low	49	Very low	85 Å²	85	80.6 Å²	80.6	55%	0.552	45%	0.453	S	S	*	.	H	α-helix	trans	-66.8	-38.5	177.5	-17.5	31	0	0	0	112.9	S490	P486-S490 WeakPolarHBondContact O-CB 3.4Å; P486-S490 PolarHBondContact O-N 3Å; P486-S490 VanDerWaalsContact O-N 3.09Å; P486-S490 PolarHBondContact O-OG 2.9Å
487	S	51.7	Low	50.7	Low	68 Å²	68	77.5 Å²	77.5	48%	0.476	44%	0.439	S	S	.	.	H	α-helix	trans	-72.8	-32.6	179.4	58.3	0	0	0	0	112	V484 S490 N491	V484-S487 PolarHBondContact O-N 3.13Å; V484-S487 PolarHBondContact O-OG 2.83Å; S487-S490 WeakPolarHBondContact CA-OG 3.4Å; S487-S490 PolarHBondContact O-OG 3.27Å; S487-N491 VanDerWaalsContact O-CB 3.31Å; S487-N491 WeakPolarHBondContact O-CB 3.38Å; S487-N491 PolarHBondContact O-N 3.31Å; S487-N491 VanDerWaalsContact O-N 3.08Å
488	F	52.6	Low	51.7	Low	54 Å²	54	77.5 Å²	77.5	24%	0.237	45%	0.446	C	S	.	.	H	α-helix	trans	-73.8	-46.5	175.2	-176.6	-103.1	0	0	0	112.9	V484 L485 S490 N491 I492 Q526 H530	V484-F488 WeakPolarHBondContact O-CB 3.25Å; V484-F488 PolarHBondContact O-N 2.87Å; L485-F488 PolarHBondContact O-N 3.33Å; F488-S490 VanDerWaalsContact C-N 3.32Å; F488-S490 PolarHBondContact O-N 3.49Å; F488-N491 CarbonylContact O-C 3.59Å; F488-N491 WeakPolarHBondContact O-CB 3.42Å; F488-N491 PolarHBondContact O-N 2.94Å; F488-N491 VanDerWaalsContact O-N 3.08Å; F488-I492 HydrophobicContact CD1-CD1 3.79Å; F488-I492 HydrophobicContact CD1-CG1 4.4Å; F488-I492 HydrophobicContact CE1-CD1 3.17Å; F488-I492 HydrophobicContact CE1-CG1 4.06Å; F488-I492 HydrophobicContact CE2-CD1 4.4Å; F488-I492 HydrophobicContact CZ-CD1 3.54Å; F488-I492 HydrophobicContact CZ-CG1 4.17Å; F488-I492 PolarHBondContact O-N 3.3Å; F488-Q526 HydrophobicContact CZ-CB 4.14Å; F488-H530 HydrophobicContact CE1-CB 4.34Å
489	V	56.9	Low	53.1	Low	63 Å²	63	73.9 Å²	73.9	38%	0.382	42%	0.416	S	S	.	.	H	α-helix	trans	-62	-41.8	177.4	172.3	0	0	0	0	110.7	L485 N491 I492 Q493	L485-V489 HydrophobicContact CD1-CG2 4.35Å; L485-V489 HydrophobicContact CG-CG2 4.45Å; L485-V489 WeakPolarHBondContact O-CB 3.32Å; L485-V489 VanDerWaalsContact O-CG2 3.29Å; L485-V489 WeakPolarHBondContact O-CG2 3.18Å; L485-V489 PolarHBondContact O-N 3.02Å; V489-N491 VanDerWaalsContact C-N 3.32Å; V489-N491 PolarHBondContact O-N 3.28Å; V489-I492 PolarHBondContact O-N 3.49Å; V489-Q493 VanDerWaalsContact O-CB 3.32Å; V489-Q493 WeakPolarHBondContact O-CB 3.17Å; V489-Q493 PolarHBondContact O-N 3.48Å
490	S	60.1	Low	54.3	Low	55 Å²	55	77.6 Å²	77.6	39%	0.385	42%	0.422	S	S	.	.	H	α-helix	trans	-63	-38.1	173	54	0	0	0	0	112.1	P486 S487 F488 Q493 N494	P486-S490 WeakPolarHBondContact O-CB 3.4Å; P486-S490 PolarHBondContact O-N 3Å; P486-S490 VanDerWaalsContact O-N 3.09Å; P486-S490 PolarHBondContact O-OG 2.9Å; S487-S490 WeakPolarHBondContact CA-OG 3.4Å; S487-S490 PolarHBondContact O-OG 3.27Å; F488-S490 VanDerWaalsContact C-N 3.32Å; F488-S490 PolarHBondContact O-N 3.49Å; S490-Q493 PolarHBondContact O-N 2.94Å; S490-N494 VanDerWaalsContact O-CB 3.28Å; S490-N494 WeakPolarHBondContact O-CB 3.36Å; S490-N494 PolarHBondContact O-N 3.43Å; S490-N494 PolarHBondContact O-ND2 3.45Å; S490-N494 PolarHBondContact O-OD1 3.35Å
491	N	63.6	Low	55.9	Low	89 Å²	89	79.3 Å²	79.3	48%	0.476	43%	0.431	S	S	.	.	H	α-helix	trans	-67.9	-39	176.2	-152.3	24.4	0	0	0	112.9	S487 F488 V489 N495	S487-N491 VanDerWaalsContact O-CB 3.31Å; S487-N491 WeakPolarHBondContact O-CB 3.38Å; S487-N491 PolarHBondContact O-N 3.31Å; S487-N491 VanDerWaalsContact O-N 3.08Å; F488-N491 CarbonylContact O-C 3.59Å; F488-N491 WeakPolarHBondContact O-CB 3.42Å; F488-N491 PolarHBondContact O-N 2.94Å; F488-N491 VanDerWaalsContact O-N 3.08Å; V489-N491 VanDerWaalsContact C-N 3.32Å; V489-N491 PolarHBondContact O-N 3.28Å; N491-N495 WeakPolarHBondContact O-CB 3.41Å; N491-N495 PolarHBondContact O-N 3.34Å; N491-N495 PolarHBondContact O-ND2 2.98Å; N491-N495 VanDerWaalsContact O-ND2 3.15Å
492	I	61.3	Low	56.9	Low	29 Å²	29	79.8 Å²	79.8	15%	0.149	43%	0.434	C	S	.	.	H	α-helix	trans	-63.9	-48.8	171.8	-72.1	179.5	0	0	0	110.4	F488 V489 N494 N495 L496 I527	F488-I492 HydrophobicContact CD1-CD1 3.79Å; F488-I492 HydrophobicContact CD1-CG1 4.4Å; F488-I492 HydrophobicContact CE1-CD1 3.17Å; F488-I492 HydrophobicContact CE1-CG1 4.06Å; F488-I492 HydrophobicContact CE2-CD1 4.4Å; F488-I492 HydrophobicContact CZ-CD1 3.54Å; F488-I492 HydrophobicContact CZ-CG1 4.17Å; F488-I492 PolarHBondContact O-N 3.3Å; V489-I492 PolarHBondContact O-N 3.49Å; I492-N494 VanDerWaalsContact C-N 3.29Å; I492-N494 PolarHBondContact O-N 3.5Å; I492-N495 PolarHBondContact O-N 2.79Å; I492-N495 VanDerWaalsContact O-N 3.16Å; I492-L496 VanDerWaalsContact O-CB 3.29Å; I492-L496 WeakPolarHBondContact O-CB 3.47Å; I492-L496 PolarHBondContact O-N 3.13Å; I492-I527 HydrophobicContact CD1-CG1 4.28Å; I492-I527 HydrophobicContact CG2-CG1 4.45Å
493	Q	65.4	Low	57.8	Low	85 Å²	85	79.8 Å²	79.8	40%	0.397	44%	0.435	S	S	.	.	H	α-helix	trans	-58.1	-45.2	179.7	-176.7	66.5	4.3	0	0	110.4	V489 S490 L496 T497	V489-Q493 VanDerWaalsContact O-CB 3.32Å; V489-Q493 WeakPolarHBondContact O-CB 3.17Å; V489-Q493 PolarHBondContact O-N 3.48Å; S490-Q493 PolarHBondContact O-N 2.94Å; Q493-L496 PolarHBondContact O-N 2.9Å; Q493-T497 HydrophobicContact CG-CG2 4.37Å; Q493-T497 WeakPolarHBondContact O-CB 3.13Å; Q493-T497 WeakPolarHBondContact O-CG2 3.42Å; Q493-T497 PolarHBondContact O-N 2.79Å; Q493-T497 PolarHBondContact O-OG1 3.44Å
494	N	66.4	Low	58.5	Low	86 Å²	86	78.6 Å²	78.6	46%	0.46	42%	0.424	S	S	.	.	H	α-helix	trans	-63.7	-41.2	176.8	-69.1	-10.4	0	0	0	112.2	S490 I492 T497 N498	S490-N494 VanDerWaalsContact O-CB 3.28Å; S490-N494 WeakPolarHBondContact O-CB 3.36Å; S490-N494 PolarHBondContact O-N 3.43Å; S490-N494 PolarHBondContact O-ND2 3.45Å; S490-N494 PolarHBondContact O-OD1 3.35Å; I492-N494 VanDerWaalsContact C-N 3.29Å; I492-N494 PolarHBondContact O-N 3.5Å; N494-T497 WeakPolarHBondContact CA-OG1 3.32Å; N494-T497 PolarHBondContact O-OG1 3.26Å; N494-N498 VanDerWaalsContact O-CB 3.23Å; N494-N498 WeakPolarHBondContact O-CB 3.33Å; N494-N498 PolarHBondContact O-N 2.85Å; N494-N498 PolarHBondContact O-ND2 2.92Å; N494-N498 VanDerWaalsContact O-ND2 3.17Å; N494-N498 PolarHBondContact O-OD1 3.18Å
495	N	65.4	Low	58.9	Low	48 Å²	48	83.7 Å²	83.7	26%	0.257	44%	0.444	S	S	.	.	H	α-helix	trans	-68.5	-36.7	176.9	-74.5	-27.7	0	0	0	112.4	N491 I492 F499 I523	N491-N495 WeakPolarHBondContact O-CB 3.41Å; N491-N495 PolarHBondContact O-N 3.34Å; N491-N495 PolarHBondContact O-ND2 2.98Å; N491-N495 VanDerWaalsContact O-ND2 3.15Å; I492-N495 PolarHBondContact O-N 2.79Å; I492-N495 VanDerWaalsContact O-N 3.16Å; N495-F499 WeakPolarHBondContact O-CB 3.36Å; N495-F499 PolarHBondContact O-N 2.9Å; N495-I523 HydrophobicContact CB-CD1 4.31Å; N495-I523 HydrophobicContact CB-CG1 4.43Å
496	L	65.5	Low	59.4	Low	56 Å²	56	86.9 Å²	86.9	29%	0.293	46%	0.462	S	S	.	.	H	α-helix	trans	-71.5	-43.9	177.6	-164.9	91.3	0	0	0	111.2	I492 Q493 N498 F499 F500 I523	I492-L496 VanDerWaalsContact O-CB 3.29Å; I492-L496 WeakPolarHBondContact O-CB 3.47Å; I492-L496 PolarHBondContact O-N 3.13Å; Q493-L496 PolarHBondContact O-N 2.9Å; L496-N498 VanDerWaalsContact C-N 3.35Å; L496-F499 WeakPolarHBondContact O-CB 3.34Å; L496-F499 PolarHBondContact O-N 2.9Å; L496-F500 HydrophobicContact CD1-CE2 4.1Å; L496-F500 HydrophobicContact CD2-CD2 4.23Å; L496-F500 HydrophobicContact CD2-CE2 3.89Å; L496-F500 HydrophobicContact CG-CD2 3.89Å; L496-F500 HydrophobicContact CG-CE2 3.71Å; L496-F500 VanDerWaalsContact O-CD2 3.28Å; L496-F500 WeakPolarHBondContact O-CD2 3.42Å; L496-F500 PolarHBondContact O-N 3.35Å; L496-I523 HydrophobicContact CD1-CG2 4.25Å
497	T	65.9	Low	59.7	Low	49 Å²	49	90.3 Å²	90.3	30%	0.301	47%	0.47	S	S	.	.	H	α-helix	trans	-63.1	-43.1	175.1	54.6	0	0	0	0	110.5	Q493 N494 F499 F500 L501	Q493-T497 HydrophobicContact CG-CG2 4.37Å; Q493-T497 WeakPolarHBondContact O-CB 3.13Å; Q493-T497 WeakPolarHBondContact O-CG2 3.42Å; Q493-T497 PolarHBondContact O-N 2.79Å; Q493-T497 PolarHBondContact O-OG1 3.44Å; N494-T497 WeakPolarHBondContact CA-OG1 3.32Å; N494-T497 PolarHBondContact O-OG1 3.26Å; T497-F499 VanDerWaalsContact C-N 3.27Å; T497-F499 PolarHBondContact O-N 3.32Å; T497-F500 PolarHBondContact O-N 2.75Å; T497-L501 VanDerWaalsContact O-CB 3.26Å; T497-L501 WeakPolarHBondContact O-CB 3.49Å; T497-L501 VanDerWaalsContact O-CG 3.29Å; T497-L501 WeakPolarHBondContact O-CG 3.46Å; T497-L501 PolarHBondContact O-N 2.68Å
498	N	64.8	Low	59.8	Low	93 Å²	93	95.4 Å²	95.4	50%	0.497	49%	0.492	S	S	.	.	H	α-helix	trans	-60.8	-35.3	173.7	-71.3	-15	0	0	0	112.3	N494 L496 T502	N494-N498 VanDerWaalsContact O-CB 3.23Å; N494-N498 WeakPolarHBondContact O-CB 3.33Å; N494-N498 PolarHBondContact O-N 2.85Å; N494-N498 PolarHBondContact O-ND2 2.92Å; N494-N498 VanDerWaalsContact O-ND2 3.17Å; N494-N498 PolarHBondContact O-OD1 3.18Å; L496-N498 VanDerWaalsContact C-N 3.35Å; N498-T502 PolarHBondContact O-N 2.9Å
499	F	64.7	Low	59.9	Low	37 Å²	37	96.5 Å²	96.5	16%	0.162	50%	0.501	C	S	.	.	H	α-helix	trans	-72.3	-37	175.8	178.9	-92	0	0	0	113.5	N495 L496 T497 T502 V516 Q519 A520 I523	N495-F499 WeakPolarHBondContact O-CB 3.36Å; N495-F499 PolarHBondContact O-N 2.9Å; L496-F499 WeakPolarHBondContact O-CB 3.34Å; L496-F499 PolarHBondContact O-N 2.9Å; T497-F499 VanDerWaalsContact C-N 3.27Å; T497-F499 PolarHBondContact O-N 3.32Å; F499-T502 PolarHBondContact O-OG1 3.05Å; F499-V516 HydrophobicContact CE2-CB 4.47Å; F499-V516 HydrophobicContact CE2-CG1 3.71Å; F499-V516 HydrophobicContact CZ-CG1 3.89Å; F499-Q519 HydrophobicContact CD2-CG 4.39Å; F499-A520 HydrophobicContact CE2-CB 4.11Å; F499-A520 HydrophobicContact CZ-CB 4.16Å; F499-I523 HydrophobicContact CB-CD1 4.31Å
500	F	61.6	Low	59.7	Low	154 Å²	154	102.6 Å²	102.6	68%	0.675	52%	0.523	S	S	*	.	H	α-helix	trans	-77.4	-29.1	175.6	-80.6	-68.8	0	0	0	113	L496 T497 T502	L496-F500 HydrophobicContact CD1-CE2 4.1Å; L496-F500 HydrophobicContact CD2-CD2 4.23Å; L496-F500 HydrophobicContact CD2-CE2 3.89Å; L496-F500 HydrophobicContact CG-CD2 3.89Å; L496-F500 HydrophobicContact CG-CE2 3.71Å; L496-F500 VanDerWaalsContact O-CD2 3.28Å; L496-F500 WeakPolarHBondContact O-CD2 3.42Å; L496-F500 PolarHBondContact O-N 3.35Å; T497-F500 PolarHBondContact O-N 2.75Å; F500-T502 VanDerWaalsContact C-N 3.34Å
501	L	62	Low	59.4	Low	131 Å²	131	105.1 Å²	105.1	69%	0.686	54%	0.535	S	S	*	.	H	α-helix	trans	-76.8	-14.4	177.6	-78	173.3	0	0	0	113.9	T497 D503	T497-L501 VanDerWaalsContact O-CB 3.26Å; T497-L501 WeakPolarHBondContact O-CB 3.49Å; T497-L501 VanDerWaalsContact O-CG 3.29Å; T497-L501 WeakPolarHBondContact O-CG 3.46Å; T497-L501 PolarHBondContact O-N 2.68Å; L501-D503 PolarHBondContact O-N 3.48Å
502	T	61.3	Low	59.5	Low	70 Å²	70	103.3 Å²	103.3	43%	0.429	53%	0.53	S	S	.	.	S	Bend	trans	-65.4	107.8	170.6	40.8	0	0	0	0	109.5	N498 F499 F500 F504	N498-T502 PolarHBondContact O-N 2.9Å; F499-T502 PolarHBondContact O-OG1 3.05Å; F500-T502 VanDerWaalsContact C-N 3.34Å; T502-F504 VanDerWaalsContact O-CD2 3.32Å; T502-F504 WeakPolarHBondContact O-CD2 3.23Å; T502-F504 PolarHBondContact O-N 2.98Å
503	D	54.8	Low	59.9	Low	145 Å²	145	108.2 Å²	108.2	78%	0.775	55%	0.547	S	S	*	.			trans	-56.4	92.6	178.8	-82.5	-32.9	0	0	0	111.8	L501 M505	L501-D503 PolarHBondContact O-N 3.48Å; D503-M505 PolarHBondContact O-N 3.02Å
504	F	53.8	Low	60.4	Low	102 Å²	102	107.7 Å²	107.7	45%	0.447	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.1	-17.9	178.3	-95.8	-87.3	0	0	0	113.8	T502 W513 V516	T502-F504 VanDerWaalsContact O-CD2 3.32Å; T502-F504 WeakPolarHBondContact O-CD2 3.23Å; T502-F504 PolarHBondContact O-N 2.98Å; F504-W513 HydrophobicContact CE1-CH2 4.16Å; F504-W513 HydrophobicContact CE1-CZ3 4.25Å; F504-V516 HydrophobicContact CE1-CG1 4.31Å; F504-V516 HydrophobicContact CE1-CG2 4.25Å; F504-V516 HydrophobicContact CZ-CB 4.38Å; F504-V516 HydrophobicContact CZ-CG1 3.67Å; F504-V516 HydrophobicContact CZ-CG2 3.77Å
505	M	49.5	Very low	60.9	Low	189 Å²	189	107.8 Å²	107.8	93%	0.931	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-11.8	-172.8	-72.5	-67.2	-111.5	0	0	114.4	D503	D503-M505 PolarHBondContact O-N 3.02Å
506	N	54.8	Low	61.4	Low	137 Å²	137	106.3 Å²	106.3	73%	0.733	55%	0.549	S	S	*	.	S	Bend	trans	-118.3	19	-163.5	-146.7	13.8	0	0	0	117.8
507	Q	51.3	Low	62	Low	156 Å²	156	110 Å²	110	73%	0.729	56%	0.563	S	S	*	*			trans	-153.8	126.1	170	-115.1	168.4	26.2	0	0	114.9	N509	Q507-N509 PolarHBondContact O-N 3.17Å; Q507-N509 PolarHBondContact OE1-ND2 2.94Å
508	N	54.9	Low	62.5	Low	175 Å²	175	114 Å²	114	94%	0.936	58%	0.58	S	S	*	*			trans	-66.3	35.3	177.9	-70.6	-24.1	0	0	0	114.8	F510	N508-F510 PolarHBondContact O-N 2.94Å
509	N	53.6	Low	63.1	Low	78 Å²	78	113.3 Å²	113.3	42%	0.417	57%	0.574	S	S	.	*			trans	-98.6	94.9	-174.6	-74	-17.1	0	0	0	111.6	Q507 T511 S512	Q507-N509 PolarHBondContact O-N 3.17Å; Q507-N509 PolarHBondContact OE1-ND2 2.94Å; N509-T511 PolarHBondContact O-N 3.15Å; N509-S512 VanDerWaalsContact O-CB 3.32Å; N509-S512 WeakPolarHBondContact O-CB 3.34Å; N509-S512 PolarHBondContact O-N 2.98Å
510	F	52	Low	63.7	Low	191 Å²	191	113.2 Å²	113.2	84%	0.838	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.1	-20.6	169.8	-145.3	-92.9	0	0	0	112.8	N508	N508-F510 PolarHBondContact O-N 2.94Å
511	T	55.6	Low	64.5	Low	107 Å²	107	114.4 Å²	114.4	66%	0.656	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-10.8	175.7	51.5	0	0	0	0	114.7	N509 S514	N509-T511 PolarHBondContact O-N 3.15Å; T511-S514 PolarHBondContact O-OG 2.8Å
512	S	64.5	Low	65.2	Low	52 Å²	52	114.7 Å²	114.7	36%	0.364	57%	0.573	S	S	.	*	H	α-helix	trans	-76.4	-29.9	176.6	-178.9	0	0	0	0	112.4	N509 S514 T515 V516	N509-S512 VanDerWaalsContact O-CB 3.32Å; N509-S512 WeakPolarHBondContact O-CB 3.34Å; N509-S512 PolarHBondContact O-N 2.98Å; S512-S514 VanDerWaalsContact C-N 3.35Å; S512-S514 PolarHBondContact O-N 3.47Å; S512-T515 PolarHBondContact O-N 2.98Å; S512-T515 PolarHBondContact O-OG1 3.27Å; S512-V516 WeakPolarHBondContact O-CB 3.44Å; S512-V516 VanDerWaalsContact O-CG2 3.25Å; S512-V516 WeakPolarHBondContact O-CG2 3.5Å; S512-V516 PolarHBondContact O-N 3.34Å
513	W	69.8	Low	66	Low	131 Å²	131	112.1 Å²	112.1	50%	0.496	56%	0.556	S	S	.	*	H	α-helix	trans	-61.2	-40.4	-177.2	-77.3	104.3	0	0	0	112.9	F504 T515 V516 F517	F504-W513 HydrophobicContact CE1-CH2 4.16Å; F504-W513 HydrophobicContact CE1-CZ3 4.25Å; W513-T515 PolarHBondContact O-N 2.85Å; W513-V516 PolarHBondContact O-N 3.32Å; W513-F517 HydrophobicContact CB-CD2 4.17Å; W513-F517 HydrophobicContact CB-CE2 4.07Å; W513-F517 HydrophobicContact CD2-CE2 4.41Å; W513-F517 HydrophobicContact CE3-CD2 4.46Å; W513-F517 AromaticContact CE3-CE2 3.77Å; W513-F517 HydrophobicContact CE3-CE2 3.77Å; W513-F517 HydrophobicContact CE3-CZ 4.03Å; W513-F517 HydrophobicContact CZ3-CZ 4.48Å; W513-F517 WeakPolarHBondContact O-CB 3.47Å; W513-F517 WeakPolarHBondContact O-CD2 2.88Å; W513-F517 WeakPolarHBondContact O-CG 3.07Å; W513-F517 PolarHBondContact O-N 3.44Å
514	S	76.7	Confident	67.2	Low	74 Å²	74	111 Å²	111	52%	0.517	54%	0.544	S	S	.	.	H	α-helix	trans	-65.8	-39	179.9	52.2	0	0	0	0	113	T511 S512 F517 M518	T511-S514 PolarHBondContact O-OG 2.8Å; S512-S514 VanDerWaalsContact C-N 3.35Å; S512-S514 PolarHBondContact O-N 3.47Å; S514-F517 PolarHBondContact O-N 3.17Å; S514-M518 WeakPolarHBondContact O-CB 3.36Å; S514-M518 WeakPolarHBondContact O-CG 3.28Å; S514-M518 PolarHBondContact O-N 2.87Å
515	T	75.4	Confident	68.2	Low	89 Å²	89	108.3 Å²	108.3	55%	0.546	54%	0.538	S	S	.	.	H	α-helix	trans	-71.7	-40.8	178	53.7	0	0	0	0	110.9	S512 W513 M518 Q519	S512-T515 PolarHBondContact O-N 2.98Å; S512-T515 PolarHBondContact O-OG1 3.27Å; W513-T515 PolarHBondContact O-N 2.85Å; T515-M518 PolarHBondContact O-N 3.32Å; T515-Q519 WeakPolarHBondContact O-CB 3.34Å; T515-Q519 PolarHBondContact O-N 3.08Å
516	V	76.1	Confident	69.4	Low	16 Å²	16	101.8 Å²	101.8	10%	0.097	51%	0.505	C	S	.	.	H	α-helix	trans	-56.8	-49.7	170.8	165.6	0	0	0	0	110.7	F499 F504 S512 W513 M518 Q519 A520	F499-V516 HydrophobicContact CE2-CB 4.47Å; F499-V516 HydrophobicContact CE2-CG1 3.71Å; F499-V516 HydrophobicContact CZ-CG1 3.89Å; F504-V516 HydrophobicContact CE1-CG1 4.31Å; F504-V516 HydrophobicContact CE1-CG2 4.25Å; F504-V516 HydrophobicContact CZ-CB 4.38Å; F504-V516 HydrophobicContact CZ-CG1 3.67Å; F504-V516 HydrophobicContact CZ-CG2 3.77Å; S512-V516 WeakPolarHBondContact O-CB 3.44Å; S512-V516 VanDerWaalsContact O-CG2 3.25Å; S512-V516 WeakPolarHBondContact O-CG2 3.5Å; S512-V516 PolarHBondContact O-N 3.34Å; W513-V516 PolarHBondContact O-N 3.32Å; V516-M518 VanDerWaalsContact C-N 3.32Å; V516-M518 PolarHBondContact O-N 2.94Å; V516-Q519 PolarHBondContact O-N 3.08Å; V516-A520 WeakPolarHBondContact O-CB 3.34Å; V516-A520 PolarHBondContact O-N 2.99Å
517	F	78.8	Confident	70.5	Confident	134 Å²	134	98.7 Å²	98.7	59%	0.588	49%	0.488	S	S	*	.	H	α-helix	trans	-62.7	-39.2	178.3	-81.1	-59.6	0	0	0	111.9	W513 S514 R521	W513-F517 HydrophobicContact CB-CD2 4.17Å; W513-F517 HydrophobicContact CB-CE2 4.07Å; W513-F517 HydrophobicContact CD2-CE2 4.41Å; W513-F517 HydrophobicContact CE3-CD2 4.46Å; W513-F517 AromaticContact CE3-CE2 3.77Å; W513-F517 HydrophobicContact CE3-CE2 3.77Å; W513-F517 HydrophobicContact CE3-CZ 4.03Å; W513-F517 HydrophobicContact CZ3-CZ 4.48Å; W513-F517 WeakPolarHBondContact O-CB 3.47Å; W513-F517 WeakPolarHBondContact O-CD2 2.88Å; W513-F517 WeakPolarHBondContact O-CG 3.07Å; W513-F517 PolarHBondContact O-N 3.44Å; S514-F517 PolarHBondContact O-N 3.17Å; F517-R521 WeakPolarHBondContact O-CB 3.37Å; F517-R521 PolarHBondContact O-N 2.89Å
518	M	77	Confident	71.7	Confident	133 Å²	133	93.4 Å²	93.4	66%	0.655	46%	0.464	S	S	*	.	H	α-helix	trans	-67.1	-42.7	176.6	-73.8	-68.2	-79.3	0	0	112	S514 T515 V516 R521 Y522	S514-M518 WeakPolarHBondContact O-CB 3.36Å; S514-M518 WeakPolarHBondContact O-CG 3.28Å; S514-M518 PolarHBondContact O-N 2.87Å; T515-M518 PolarHBondContact O-N 3.32Å; V516-M518 VanDerWaalsContact C-N 3.32Å; V516-M518 PolarHBondContact O-N 2.94Å; M518-R521 PolarHBondContact O-N 3.27Å; M518-Y522 WeakPolarHBondContact O-CB 3.49Å; M518-Y522 PolarHBondContact O-N 2.75Å
519	Q	77.7	Confident	72.6	Confident	79 Å²	79	87.3 Å²	87.3	37%	0.369	43%	0.431	S	S	.	.	H	α-helix	trans	-67.5	-44.7	176.5	-173.1	170.7	0	0	0	111.4	F499 T515 V516 R521 Y522 I523	F499-Q519 HydrophobicContact CD2-CG 4.39Å; T515-Q519 WeakPolarHBondContact O-CB 3.34Å; T515-Q519 PolarHBondContact O-N 3.08Å; V516-Q519 PolarHBondContact O-N 3.08Å; Q519-R521 VanDerWaalsContact C-N 3.32Å; Q519-R521 PolarHBondContact O-N 2.92Å; Q519-Y522 PolarHBondContact O-N 3.28Å; Q519-I523 HydrophobicContact CG-CD1 4.06Å; Q519-I523 WeakPolarHBondContact O-CG1 3.03Å; Q519-I523 PolarHBondContact O-N 2.96Å
520	A	77.4	Confident	73.5	Confident	35 Å²	35	85.8 Å²	85.8	29%	0.289	42%	0.422	S	S	.	.	H	α-helix	trans	-59.9	-42.1	174.1	0	0	0	0	0	111.4	F499 V516 I523 F524	F499-A520 HydrophobicContact CE2-CB 4.11Å; F499-A520 HydrophobicContact CZ-CB 4.16Å; V516-A520 WeakPolarHBondContact O-CB 3.34Å; V516-A520 PolarHBondContact O-N 2.99Å; A520-I523 PolarHBondContact O-N 3.09Å; A520-F524 WeakPolarHBondContact O-CB 3.36Å; A520-F524 PolarHBondContact O-N 3.47Å
521	R	77.8	Confident	74.8	Confident	179 Å²	179	82 Å²	82	68%	0.675	41%	0.405	S	S	*	.	H	α-helix	trans	-63.6	-40.4	174.9	176.8	177.9	166.1	152.1	-4	112.2	F517 M518 Q519 S525	F517-R521 WeakPolarHBondContact O-CB 3.37Å; F517-R521 PolarHBondContact O-N 2.89Å; M518-R521 PolarHBondContact O-N 3.27Å; Q519-R521 VanDerWaalsContact C-N 3.32Å; Q519-R521 PolarHBondContact O-N 2.92Å; R521-S525 WeakPolarHBondContact O-CB 3.33Å; R521-S525 PolarHBondContact O-N 3.06Å
522	Y	77.3	Confident	75.9	Confident	137 Å²	137	78.9 Å²	78.9	54%	0.537	38%	0.384	S	S	.	.	H	α-helix	trans	-64.9	-49.2	176.6	177.4	-97	0	0	0	111.4	M518 Q519 F524 S525 Q526	M518-Y522 WeakPolarHBondContact O-CB 3.49Å; M518-Y522 PolarHBondContact O-N 2.75Å; Q519-Y522 PolarHBondContact O-N 3.28Å; Y522-F524 VanDerWaalsContact C-N 3.32Å; Y522-F524 PolarHBondContact O-N 3.16Å; Y522-S525 WeakPolarHBondContact O-CB 3.2Å; Y522-S525 PolarHBondContact O-N 3.3Å; Y522-Q526 HydrophobicContact CD1-CG 4.46Å; Y522-Q526 HydrophobicContact CE1-CG 4.07Å; Y522-Q526 HydrophobicContact CE2-CG 4.5Å; Y522-Q526 WeakPolarHBondContact O-CG 3.22Å; Y522-Q526 PolarHBondContact O-N 3.48Å; Y522-Q526 PolarHBondContact OH-NE2 3.29Å
523	I	77.4	Confident	76.6	Confident	15 Å²	15	79.5 Å²	79.5	8%	0.077	38%	0.381	C	S	.	.	H	α-helix	trans	-58.9	-45.6	176.3	-66.5	168.6	0	0	0	110.2	N495 L496 F499 Q519 A520 S525 Q526 I527	N495-I523 HydrophobicContact CB-CD1 4.31Å; N495-I523 HydrophobicContact CB-CG1 4.43Å; L496-I523 HydrophobicContact CD1-CG2 4.25Å; F499-I523 HydrophobicContact CB-CD1 4.31Å; Q519-I523 HydrophobicContact CG-CD1 4.06Å; Q519-I523 WeakPolarHBondContact O-CG1 3.03Å; Q519-I523 PolarHBondContact O-N 2.96Å; A520-I523 PolarHBondContact O-N 3.09Å; I523-S525 PolarHBondContact O-N 2.86Å; I523-Q526 PolarHBondContact O-N 3.24Å; I523-I527 HydrophobicContact CG2-CD1 3.74Å; I523-I527 HydrophobicContact CG2-CG1 4.46Å; I523-I527 WeakPolarHBondContact O-CG1 3.25Å; I523-I527 PolarHBondContact O-N 2.98Å
524	F	78.9	Confident	77.2	Confident	122 Å²	122	74.4 Å²	74.4	54%	0.535	36%	0.362	S	S	.	.	H	α-helix	trans	-60.7	-43.3	176.7	-179.2	-99	0	0	0	112.2	A520 Y522 Q526 I527 M528	A520-F524 WeakPolarHBondContact O-CB 3.36Å; A520-F524 PolarHBondContact O-N 3.47Å; Y522-F524 VanDerWaalsContact C-N 3.32Å; Y522-F524 PolarHBondContact O-N 3.16Å; F524-Q526 VanDerWaalsContact C-N 3.34Å; F524-Q526 PolarHBondContact O-N 2.89Å; F524-I527 PolarHBondContact O-N 2.86Å; F524-M528 HydrophobicContact CD1-CG 4.01Å; F524-M528 HydrophobicContact CD2-CG 4.27Å; F524-M528 HydrophobicContact CE1-CG 3.59Å; F524-M528 HydrophobicContact CE1-SD 4.46Å; F524-M528 HydrophobicContact CE2-CG 3.87Å; F524-M528 HydrophobicContact CE2-SD 4.1Å; F524-M528 HydrophobicContact CG-CG 4.34Å; F524-M528 HydrophobicContact CZ-CG 3.51Å; F524-M528 HydrophobicContact CZ-SD 3.83Å; F524-M528 WeakPolarHBondContact O-CB 2.99Å; F524-M528 VanDerWaalsContact O-CG 3.23Å; F524-M528 WeakPolarHBondContact O-CG 3.42Å; F524-M528 PolarHBondContact O-N 3.28Å
525	S	76.1	Confident	77.5	Confident	46 Å²	46	72.2 Å²	72.2	32%	0.322	35%	0.352	S	S	.	.	H	α-helix	trans	-59.4	-45.2	176.5	-165.3	0	0	0	0	111.5	R521 Y522 I523 M528 D529	R521-S525 WeakPolarHBondContact O-CB 3.33Å; R521-S525 PolarHBondContact O-N 3.06Å; Y522-S525 WeakPolarHBondContact O-CB 3.2Å; Y522-S525 PolarHBondContact O-N 3.3Å; I523-S525 PolarHBondContact O-N 2.86Å; S525-M528 PolarHBondContact O-N 2.87Å; S525-D529 WeakPolarHBondContact O-CB 3.25Å; S525-D529 PolarHBondContact O-N 3.17Å
526	Q	75.3	Confident	77.9	Confident	51 Å²	51	69.7 Å²	69.7	24%	0.238	33%	0.334	C	S	.	.	H	α-helix	trans	-63.8	-44.6	179.6	-69.2	-67.6	-2.5	0	0	112.5	F488 Y522 I523 F524 M528 D529 H530	F488-Q526 HydrophobicContact CZ-CB 4.14Å; Y522-Q526 HydrophobicContact CD1-CG 4.46Å; Y522-Q526 HydrophobicContact CE1-CG 4.07Å; Y522-Q526 HydrophobicContact CE2-CG 4.5Å; Y522-Q526 WeakPolarHBondContact O-CG 3.22Å; Y522-Q526 PolarHBondContact O-N 3.48Å; Y522-Q526 PolarHBondContact OH-NE2 3.29Å; I523-Q526 PolarHBondContact O-N 3.24Å; F524-Q526 VanDerWaalsContact C-N 3.34Å; F524-Q526 PolarHBondContact O-N 2.89Å; Q526-M528 VanDerWaalsContact C-N 3.32Å; Q526-M528 PolarHBondContact O-N 2.7Å; Q526-D529 PolarHBondContact O-N 3.33Å; Q526-H530 PolarHBondContact O-N 3.39Å; Q526-H530 VanDerWaalsContact O-N 3.14Å
527	I	77.1	Confident	78.4	Confident	73 Å²	73	71 Å²	71	37%	0.374	34%	0.34	S	S	.	.	H	α-helix	trans	-61.2	-44.7	176.1	-68.8	168.3	0	0	0	110.2	I492 I523 F524 H530 F531	I492-I527 HydrophobicContact CD1-CG1 4.28Å; I492-I527 HydrophobicContact CG2-CG1 4.45Å; I523-I527 HydrophobicContact CG2-CD1 3.74Å; I523-I527 HydrophobicContact CG2-CG1 4.46Å; I523-I527 WeakPolarHBondContact O-CG1 3.25Å; I523-I527 PolarHBondContact O-N 2.98Å; F524-I527 PolarHBondContact O-N 2.86Å; I527-H530 PolarHBondContact O-N 2.92Å; I527-F531 PolarHBondContact O-N 2.98Å
528	M	76.1	Confident	78.9	Confident	44 Å²	44	65.8 Å²	65.8	22%	0.217	32%	0.318	C	S	.	.	H	α-helix	trans	-67.9	-38.1	-179.9	-72.9	-62.7	-62.4	0	0	112.9	L163 F524 S525 Q526 H530 F531 L532	L163-M528 HydrophobicContact CD1-CB 3.19Å; L163-M528 HydrophobicContact CD1-CE 4.08Å; L163-M528 HydrophobicContact CD1-CG 3.69Å; F524-M528 HydrophobicContact CD1-CG 4.01Å; F524-M528 HydrophobicContact CD2-CG 4.27Å; F524-M528 HydrophobicContact CE1-CG 3.59Å; F524-M528 HydrophobicContact CE1-SD 4.46Å; F524-M528 HydrophobicContact CE2-CG 3.87Å; F524-M528 HydrophobicContact CE2-SD 4.1Å; F524-M528 HydrophobicContact CG-CG 4.34Å; F524-M528 HydrophobicContact CZ-CG 3.51Å; F524-M528 HydrophobicContact CZ-SD 3.83Å; F524-M528 WeakPolarHBondContact O-CB 2.99Å; F524-M528 VanDerWaalsContact O-CG 3.23Å; F524-M528 WeakPolarHBondContact O-CG 3.42Å; F524-M528 PolarHBondContact O-N 3.28Å; S525-M528 PolarHBondContact O-N 2.87Å; Q526-M528 VanDerWaalsContact C-N 3.32Å; Q526-M528 PolarHBondContact O-N 2.7Å; M528-H530 VanDerWaalsContact C-N 3.3Å; M528-H530 PolarHBondContact O-N 3.12Å; M528-F531 PolarHBondContact O-N 3.16Å; M528-L532 VanDerWaalsContact O-CB 3.3Å; M528-L532 WeakPolarHBondContact O-CB 3.31Å; M528-L532 WeakPolarHBondContact O-CG 3.24Å; M528-L532 PolarHBondContact O-N 2.95Å
529	D	74	Confident	79.5	Confident	47 Å²	47	60.1 Å²	60.1	25%	0.251	29%	0.292	S	S	.	.	H	α-helix	trans	-63.3	-39.2	176.7	-71.4	-27.9	0	0	0	111.1	S525 Q526 F533	S525-D529 WeakPolarHBondContact O-CB 3.25Å; S525-D529 PolarHBondContact O-N 3.17Å; Q526-D529 PolarHBondContact O-N 3.33Å; D529-F533 WeakPolarHBondContact O-CB 3.43Å; D529-F533 PolarHBondContact O-N 3.47Å
530	H	73.4	Confident	80	Confident	46 Å²	46	61 Å²	61	21%	0.213	29%	0.292	C	S	.	.	H	α-helix	trans	-64.1	-48.5	172.2	-178.4	-88.9	0	0	0	112.3	L485 F488 Q526 I527 M528 L532 F533 H534	L485-H530 WeakPolarHBondContact CD1-NE2 3.37Å; F488-H530 HydrophobicContact CE1-CB 4.34Å; Q526-H530 PolarHBondContact O-N 3.39Å; Q526-H530 VanDerWaalsContact O-N 3.14Å; I527-H530 PolarHBondContact O-N 2.92Å; M528-H530 VanDerWaalsContact C-N 3.3Å; M528-H530 PolarHBondContact O-N 3.12Å; H530-L532 VanDerWaalsContact C-N 3.31Å; H530-L532 PolarHBondContact O-N 2.83Å; H530-F533 WeakPolarHBondContact O-CB 3.47Å; H530-F533 PolarHBondContact O-N 3.47Å; H530-H534 AromaticContact CE1-CD2 3.33Å; H530-H534 PolarHBondContact CE1-CD2 2.84Å; H530-H534 AromaticContact CE1-NE2 3.33Å; H530-H534 PolarHBondContact CE1-NE2 2.91Å; H530-H534 VanDerWaalsContact CE1-NE2 3.33Å; H530-H534 AromaticContact ND1-CD2 3.75Å; H530-H534 AromaticContact NE2-CD2 3.55Å; H530-H534 AromaticContact NE2-NE2 3.26Å; H530-H534 PolarHBondContact NE2-NE2 2.82Å; H530-H534 PolarHBondContact O-CD2 2.86Å; H530-H534 PolarHBondContact O-N 3.21Å
531	F	78.4	Confident	80.7	Confident	112 Å²	112	59.4 Å²	59.4	49%	0.491	28%	0.279	S	S	.	.	H	α-helix	trans	-60.3	-41.8	177.7	-176.9	-96	0	0	0	111.8	I527 M528 H534 G535	I527-F531 PolarHBondContact O-N 2.98Å; M528-F531 PolarHBondContact O-N 3.16Å; F531-H534 PolarHBondContact O-N 2.95Å; F531-G535 PolarHBondContact O-N 3.24Å
532	L	78.7	Confident	81.5	Confident	41 Å²	41	52.8 Å²	52.8	22%	0.215	26%	0.256	C	S	.	.	H	α-helix	trans	-63.1	-41.9	175.8	-73.9	170.3	0	0	0	111.6	L163 M528 H530 G535 M536	L163-L532 HydrophobicContact CD1-CD1 4.3Å; L163-L532 HydrophobicContact CG-CD1 4.05Å; M528-L532 VanDerWaalsContact O-CB 3.3Å; M528-L532 WeakPolarHBondContact O-CB 3.31Å; M528-L532 WeakPolarHBondContact O-CG 3.24Å; M528-L532 PolarHBondContact O-N 2.95Å; H530-L532 VanDerWaalsContact C-N 3.31Å; H530-L532 PolarHBondContact O-N 2.83Å; L532-G535 PolarHBondContact O-N 2.9Å; L532-M536 VanDerWaalsContact O-CG 3.23Å; L532-M536 WeakPolarHBondContact O-CG 3.2Å; L532-M536 PolarHBondContact O-N 3.38Å
533	F	79.3	Confident	82.3	Confident	66 Å²	66	48.1 Å²	48.1	29%	0.289	24%	0.239	S	C	.	.	H	α-helix	trans	-61.2	-49	177.1	-179.8	-94.1	0	0	0	112.3	Y477 D529 H530 M536 I537	Y477-F533 HydrophobicContact CD1-CE2 4.04Å; Y477-F533 AromaticContact CD1-CZ 3.99Å; Y477-F533 HydrophobicContact CD1-CZ 3.99Å; Y477-F533 HydrophobicContact CE1-CD2 4.42Å; Y477-F533 AromaticContact CE1-CE2 3.35Å; Y477-F533 HydrophobicContact CE1-CE2 3.35Å; Y477-F533 AromaticContact CE1-CZ 3.77Å; Y477-F533 HydrophobicContact CE1-CZ 3.77Å; D529-F533 WeakPolarHBondContact O-CB 3.43Å; D529-F533 PolarHBondContact O-N 3.47Å; H530-F533 WeakPolarHBondContact O-CB 3.47Å; H530-F533 PolarHBondContact O-N 3.47Å; F533-M536 PolarHBondContact O-N 3.44Å; F533-I537 HydrophobicContact CD1-CD1 4.12Å; F533-I537 HydrophobicContact CE1-CD1 3.55Å; F533-I537 HydrophobicContact CE2-CD1 4.47Å; F533-I537 HydrophobicContact CZ-CD1 3.76Å; F533-I537 PolarHBondContact O-N 3.45Å
534	H	81.6	Confident	83.1	Confident	23 Å²	23	47.4 Å²	47.4	11%	0.106	24%	0.235	C	C	.	.	H	α-helix	trans	-60.6	-48.2	174.8	-83.7	-99.5	0	0	0	110.9	N258 H530 F531 M536 I537 I538	N258-H534 PolarHBondContact O-ND1 3Å; N258-H534 VanDerWaalsContact O-ND1 3.17Å; H530-H534 AromaticContact CE1-CD2 3.33Å; H530-H534 PolarHBondContact CE1-CD2 2.84Å; H530-H534 AromaticContact CE1-NE2 3.33Å; H530-H534 PolarHBondContact CE1-NE2 2.91Å; H530-H534 VanDerWaalsContact CE1-NE2 3.33Å; H530-H534 AromaticContact ND1-CD2 3.75Å; H530-H534 AromaticContact NE2-CD2 3.55Å; H530-H534 AromaticContact NE2-NE2 3.26Å; H530-H534 PolarHBondContact NE2-NE2 2.82Å; H530-H534 PolarHBondContact O-CD2 2.86Å; H530-H534 PolarHBondContact O-N 3.21Å; F531-H534 PolarHBondContact O-N 2.95Å; H534-M536 VanDerWaalsContact C-N 3.26Å; H534-M536 PolarHBondContact O-N 3.43Å; H534-I537 PolarHBondContact O-N 3.48Å; H534-I538 WeakPolarHBondContact O-CD1 3.44Å; H534-I538 WeakPolarHBondContact O-CG1 3.28Å; H534-I538 PolarHBondContact O-N 2.9Å; H534-I538 VanDerWaalsContact O-N 3.11Å
535	G	83.4	Confident	83.9	Confident	29 Å²	29	41.6 Å²	41.6	30%	0.299	21%	0.21	S	C	.	.	H	α-helix	trans	-56	-37.3	178.2	0	0	0	0	0	113.4	F531 L532 A539	F531-G535 PolarHBondContact O-N 3.24Å; L532-G535 PolarHBondContact O-N 2.9Å; G535-A539 WeakPolarHBondContact O-CB 3.23Å; G535-A539 PolarHBondContact O-N 3.39Å
536	M	85.2	Confident	84.8	Confident	36 Å²	36	40.3 Å²	40.3	18%	0.177	20%	0.199	C	C	.	.	H	α-helix	trans	-64.3	-45.7	177.6	-77.2	175.9	62.8	0	0	113	R166 L460 L532 F533 H534 I538 A539 R540	R166-M536 PolarHBondContact NH1-SD 2.96Å; L460-M536 WeakPolarHBondContact O-CA 3.4Å; L460-M536 WeakPolarHBondContact O-CG 3.46Å; L532-M536 VanDerWaalsContact O-CG 3.23Å; L532-M536 WeakPolarHBondContact O-CG 3.2Å; L532-M536 PolarHBondContact O-N 3.38Å; F533-M536 PolarHBondContact O-N 3.44Å; H534-M536 VanDerWaalsContact C-N 3.26Å; H534-M536 PolarHBondContact O-N 3.43Å; M536-I538 VanDerWaalsContact C-N 3.32Å; M536-A539 PolarHBondContact O-N 2.87Å; M536-R540 WeakPolarHBondContact O-CB 3.46Å; M536-R540 PolarHBondContact O-N 2.94Å
537	I	85.1	Confident	85.8	Confident	42 Å²	42	38 Å²	38	22%	0.215	19%	0.188	C	C	.	.	H	α-helix	trans	-67.4	-39.9	-178.7	-65.5	165.4	0	0	0	109.9	A254 N258 F533 H534 R540 G541	A254-I537 HydrophobicContact CB-CG2 4.04Å; N258-I537 VanDerWaalsContact ND2-CB 3.35Å; N258-I537 WeakPolarHBondContact ND2-CB 3.37Å; N258-I537 WeakPolarHBondContact ND2-CD1 3.2Å; N258-I537 VanDerWaalsContact ND2-CG2 3.3Å; N258-I537 WeakPolarHBondContact ND2-CG2 3.37Å; F533-I537 HydrophobicContact CD1-CD1 4.12Å; F533-I537 HydrophobicContact CE1-CD1 3.55Å; F533-I537 HydrophobicContact CE2-CD1 4.47Å; F533-I537 HydrophobicContact CZ-CD1 3.76Å; F533-I537 PolarHBondContact O-N 3.45Å; H534-I537 PolarHBondContact O-N 3.48Å; I537-R540 PolarHBondContact O-N 3.41Å; I537-G541 PolarHBondContact O-N 2.73Å
538	I	89.3	Confident	86.7	Confident	26 Å²	26	34.8 Å²	34.8	13%	0.133	17%	0.172	C	C	.	.	H	α-helix	trans	-61.9	-49.7	175	-62.7	165.7	0	0	0	110.5	N258 L259 H534 M536 R540 G541 I542	N258-I538 HydrophobicContact CB-CD1 4.45Å; N258-I538 HydrophobicContact CB-CG1 4.13Å; L259-I538 HydrophobicContact CB-CD1 4.45Å; L259-I538 HydrophobicContact CD1-CG2 4.01Å; L259-I538 HydrophobicContact CD2-CD1 3.54Å; L259-I538 HydrophobicContact CD2-CG1 4.18Å; L259-I538 HydrophobicContact CD2-CG2 3.97Å; L259-I538 HydrophobicContact CG-CD1 3.62Å; L259-I538 HydrophobicContact CG-CG1 3.8Å; L259-I538 HydrophobicContact CG-CG2 3.93Å; H534-I538 WeakPolarHBondContact O-CD1 3.44Å; H534-I538 WeakPolarHBondContact O-CG1 3.28Å; H534-I538 PolarHBondContact O-N 2.9Å; H534-I538 VanDerWaalsContact O-N 3.11Å; M536-I538 VanDerWaalsContact C-N 3.32Å; I538-R540 VanDerWaalsContact C-N 3.3Å; I538-R540 PolarHBondContact O-N 3.38Å; I538-G541 PolarHBondContact O-N 2.77Å; I538-I542 HydrophobicContact CG2-CD1 3.65Å; I538-I542 HydrophobicContact CG2-CG1 4.48Å; I538-I542 WeakPolarHBondContact O-CG1 3.32Å; I538-I542 PolarHBondContact O-N 2.89Å
539	A	89.8	Confident	87.7	Confident	13 Å²	13	32.9 Å²	32.9	11%	0.107	16%	0.162	C	C	.	.	H	α-helix	trans	-62.7	-37.5	179.3	0	0	0	0	0	111.8	L460 G535 M536 G541 F543	L460-A539 HydrophobicContact CB-CB 3.71Å; G535-A539 WeakPolarHBondContact O-CB 3.23Å; G535-A539 PolarHBondContact O-N 3.39Å; M536-A539 PolarHBondContact O-N 2.87Å; A539-G541 PolarHBondContact O-N 2.98Å; A539-F543 HydrophobicContact CB-CD2 4.1Å; A539-F543 VanDerWaalsContact O-CB 3.27Å; A539-F543 WeakPolarHBondContact O-CB 3.49Å; A539-F543 WeakPolarHBondContact O-CD2 3.18Å; A539-F543 PolarHBondContact O-N 2.91Å
540	R	89.7	Confident	88.8	Confident	99 Å²	99	30.6 Å²	30.6	37%	0.374	15%	0.15	S	C	.	.	H	α-helix	trans	-58.2	-48	176.5	-178.2	174.6	170.5	-177.3	-8.3	111.7	N377 Y457 M536 I537 I538 G544	N377-R540 PolarHBondContact ND2-NH2 3.18Å; N377-R540 VanDerWaalsContact ND2-NH2 3.18Å; Y457-R540 HydrophobicContact CE2-CG 4.29Å; Y457-R540 WeakPolarHBondContact CE2-O 3.23Å; M536-R540 WeakPolarHBondContact O-CB 3.46Å; M536-R540 PolarHBondContact O-N 2.94Å; I537-R540 PolarHBondContact O-N 3.41Å; I538-R540 VanDerWaalsContact C-N 3.3Å; I538-R540 PolarHBondContact O-N 3.38Å; R540-G544 WeakPolarHBondContact O-CA 3.39Å; R540-G544 PolarHBondContact O-N 3.04Å
541	G	91.4	Very high	89.9	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.01	14%	0.141	C	C	.	.	H	α-helix	trans	-65.3	-51.2	178	0	0	0	0	0	112.8	F250 I537 I538 A539 G544 F545	F250-G541 WeakPolarHBondContact O-CA 3.49Å; I537-G541 PolarHBondContact O-N 2.73Å; I538-G541 PolarHBondContact O-N 2.77Å; A539-G541 PolarHBondContact O-N 2.98Å; G541-G544 PolarHBondContact O-N 3.27Å; G541-F545 PolarHBondContact O-N 2.97Å; G541-F545 VanDerWaalsContact O-N 3.11Å
542	I	94.4	Very high	90.7	Very high	39 Å²	39	24.3 Å²	24.3	20%	0.2	12%	0.124	C	C	.	.	H	α-helix	trans	-66.5	-51.5	-175.3	-64.9	173.8	0	0	0	111.6	F277 L281 I538 G544 F545 L546	F277-I542 HydrophobicContact CE2-CD1 4.26Å; F277-I542 HydrophobicContact CE2-CG1 4.32Å; F277-I542 HydrophobicContact CZ-CG1 4.24Å; L281-I542 HydrophobicContact CD2-CG1 4.45Å; L281-I542 HydrophobicContact CD2-CG2 4.02Å; I538-I542 HydrophobicContact CG2-CD1 3.65Å; I538-I542 HydrophobicContact CG2-CG1 4.48Å; I538-I542 WeakPolarHBondContact O-CG1 3.32Å; I538-I542 PolarHBondContact O-N 2.89Å; I542-G544 VanDerWaalsContact C-N 3.33Å; I542-G544 PolarHBondContact O-N 3.38Å; I542-F545 PolarHBondContact O-N 3.47Å; I542-L546 HydrophobicContact CG2-CD1 4.03Å; I542-L546 HydrophobicContact CG2-CG 4.49Å; I542-L546 WeakPolarHBondContact O-CG 3.22Å; I542-L546 PolarHBondContact O-N 3.12Å
543	F	94	Very high	91.5	Very high	40 Å²	40	22.4 Å²	22.4	18%	0.175	11%	0.114	C	C	.	.	H	α-helix	trans	-71.5	-29.5	-179.5	-78.5	-88.6	0	0	0	112.2	L453 L456 Y457 L460 A539 L546 V547	L453-F543 HydrophobicContact CD2-CD1 4.3Å; L453-F543 HydrophobicContact CD2-CE1 4.17Å; L456-F543 HydrophobicContact CB-CD1 4.12Å; L456-F543 HydrophobicContact CB-CE1 3.74Å; L456-F543 HydrophobicContact CB-CZ 4.36Å; L456-F543 HydrophobicContact CD1-CE1 4.03Å; Y457-F543 HydrophobicContact CD2-CB 3.66Å; Y457-F543 HydrophobicContact CG-CB 4.17Å; L460-F543 HydrophobicContact CD1-CD2 3.91Å; L460-F543 HydrophobicContact CD1-CE1 4.24Å; L460-F543 HydrophobicContact CD1-CE2 3.3Å; L460-F543 HydrophobicContact CD1-CZ 3.49Å; L460-F543 VanDerWaalsContact CD1-CZ 3.49Å; A539-F543 HydrophobicContact CB-CD2 4.1Å; A539-F543 VanDerWaalsContact O-CB 3.27Å; A539-F543 WeakPolarHBondContact O-CB 3.49Å; A539-F543 WeakPolarHBondContact O-CD2 3.18Å; A539-F543 PolarHBondContact O-N 2.91Å; F543-L546 PolarHBondContact O-N 2.9Å; F543-V547 WeakPolarHBondContact O-CB 3.42Å; F543-V547 VanDerWaalsContact O-CG2 3.26Å; F543-V547 WeakPolarHBondContact O-CG2 3.23Å; F543-V547 PolarHBondContact O-N 3.15Å
544	G	93.5	Very high	92.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.4	-49.9	171.6	0	0	0	0	0	111.5	R540 G541 I542 W548	R540-G544 WeakPolarHBondContact O-CA 3.39Å; R540-G544 PolarHBondContact O-N 3.04Å; G541-G544 PolarHBondContact O-N 3.27Å; I542-G544 VanDerWaalsContact C-N 3.33Å; I542-G544 PolarHBondContact O-N 3.38Å; G544-W548 PolarHBondContact O-N 2.93Å; G544-W548 VanDerWaalsContact O-N 3.13Å
545	F	96	Very high	92.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.1	-48.6	172.5	168.7	-105.8	0	0	0	112.3	L241 F250 L252 L281 A285 G541 I542 V547 W548 W549	L241-F545 HydrophobicContact CD1-CE2 4.4Å; L241-F545 HydrophobicContact CD1-CZ 4.04Å; L241-F545 HydrophobicContact CD2-CD1 4.14Å; L241-F545 HydrophobicContact CD2-CD2 3.57Å; L241-F545 HydrophobicContact CD2-CE1 4.08Å; L241-F545 HydrophobicContact CD2-CE2 3.51Å; L241-F545 HydrophobicContact CD2-CG 3.88Å; L241-F545 HydrophobicContact CD2-CZ 3.78Å; L241-F545 HydrophobicContact CG-CD2 4.27Å; L241-F545 HydrophobicContact CG-CE2 3.72Å; L241-F545 HydrophobicContact CG-CZ 3.87Å; F250-F545 HydrophobicContact CD1-CB 4.19Å; F250-F545 HydrophobicContact CD2-CD2 4.36Å; F250-F545 HydrophobicContact CE1-CD2 4.42Å; F250-F545 AromaticContact CE2-CD2 3.98Å; F250-F545 HydrophobicContact CE2-CD2 3.98Å; F250-F545 HydrophobicContact CG-CB 4.19Å; F250-F545 AromaticContact CZ-CD2 3.99Å; F250-F545 HydrophobicContact CZ-CD2 3.99Å; L252-F545 HydrophobicContact CD2-CB 4.5Å; L281-F545 HydrophobicContact CB-CE1 4.24Å; L281-F545 HydrophobicContact CD2-CD1 4.35Å; A285-F545 HydrophobicContact CB-CE1 3.95Å; A285-F545 HydrophobicContact CB-CZ 3.77Å; G541-F545 PolarHBondContact O-N 2.97Å; G541-F545 VanDerWaalsContact O-N 3.11Å; I542-F545 PolarHBondContact O-N 3.47Å; F545-V547 PolarHBondContact O-N 2.89Å; F545-W548 PolarHBondContact O-N 2.87Å; F545-W549 HydrophobicContact CE1-CB 4.47Å; F545-W549 HydrophobicContact CE2-CB 4.17Å; F545-W549 HydrophobicContact CE2-CE3 4.42Å; F545-W549 HydrophobicContact CZ-CB 4.13Å; F545-W549 HydrophobicContact CZ-CD2 4.39Å; F545-W549 HydrophobicContact CZ-CG 4.2Å; F545-W549 VanDerWaalsContact O-CB 3.22Å; F545-W549 WeakPolarHBondContact O-CB 3.42Å; F545-W549 PolarHBondContact O-N 3.36Å
546	L	96.4	Very high	93.5	Very high	19 Å²	19	20.7 Å²	20.7	10%	0.099	10%	0.101	C	C	.	.	H	α-helix	trans	-62.6	-40.9	-177.5	-71	174.9	0	0	0	112.9	I284 I288 L453 I542 F543 T550	I284-L546 HydrophobicContact CG2-CD2 3.89Å; I288-L546 HydrophobicContact CD1-CD2 3.99Å; L453-L546 HydrophobicContact CD1-CB 4.45Å; I542-L546 HydrophobicContact CG2-CD1 4.03Å; I542-L546 HydrophobicContact CG2-CG 4.49Å; I542-L546 WeakPolarHBondContact O-CG 3.22Å; I542-L546 PolarHBondContact O-N 3.12Å; F543-L546 PolarHBondContact O-N 2.9Å; L546-T550 WeakPolarHBondContact O-CB 3.22Å; L546-T550 PolarHBondContact O-N 3.28Å; L546-T550 PolarHBondContact O-OG1 3.07Å
547	V	95.9	Very high	93.9	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.006	9%	0.094	C	C	.	.	H	α-helix	trans	-62.8	-49.8	176.7	167.6	0	0	0	0	110	F450 L453 L454 Y457 F543 F545 L551	F450-V547 HydrophobicContact CE2-CG1 3.72Å; F450-V547 WeakPolarHBondContact CE2-O 3.18Å; F450-V547 HydrophobicContact CZ-CG1 4.13Å; L453-V547 HydrophobicContact CB-CG2 4.07Å; L454-V547 HydrophobicContact CD1-CG1 4.02Å; Y457-V547 HydrophobicContact CD1-CG2 4.4Å; Y457-V547 HydrophobicContact CG-CG2 4.26Å; F543-V547 WeakPolarHBondContact O-CB 3.42Å; F543-V547 VanDerWaalsContact O-CG2 3.26Å; F543-V547 WeakPolarHBondContact O-CG2 3.23Å; F543-V547 PolarHBondContact O-N 3.15Å; F545-V547 PolarHBondContact O-N 2.89Å; V547-L551 PolarHBondContact O-N 3.44Å
548	W	96.1	Very high	94.4	Very high	6 Å²	6	17.3 Å²	17.3	2%	0.023	8%	0.084	C	C	.	.	H	α-helix	trans	-61.5	-48.8	178.1	179.5	84.6	0	0	0	111.9	F240 F250 I331 W334 G544 F545 T550 L551 T552	F240-W548 HydrophobicContact CB-CH2 4.05Å; F240-W548 HydrophobicContact CB-CZ3 3.93Å; F240-W548 AromaticContact CD1-CH2 3.5Å; F240-W548 HydrophobicContact CD1-CH2 3.5Å; F240-W548 VanDerWaalsContact CD1-CH2 3.5Å; F240-W548 HydrophobicContact CD1-CZ2 4.28Å; F240-W548 HydrophobicContact CD1-CZ3 4.26Å; F240-W548 AromaticContact CD2-CH2 3.75Å; F240-W548 HydrophobicContact CD2-CH2 3.75Å; F240-W548 HydrophobicContact CD2-CZ3 4.11Å; F240-W548 AromaticContact CE1-CH2 3.77Å; F240-W548 HydrophobicContact CE1-CH2 3.77Å; F240-W548 HydrophobicContact CE1-CZ2 4.3Å; F240-W548 HydrophobicContact CE2-CH2 4.01Å; F240-W548 AromaticContact CG-CH2 3.49Å; F240-W548 HydrophobicContact CG-CH2 3.49Å; F240-W548 VanDerWaalsContact CG-CH2 3.49Å; F240-W548 AromaticContact CG-CZ3 3.85Å; F240-W548 HydrophobicContact CG-CZ3 3.85Å; F240-W548 HydrophobicContact CZ-CH2 4.02Å; F250-W548 HydrophobicContact CE1-CB 3.66Å; F250-W548 AromaticContact CE1-CD2 3.79Å; F250-W548 HydrophobicContact CE1-CD2 3.79Å; F250-W548 AromaticContact CE1-CE3 3.91Å; F250-W548 HydrophobicContact CE1-CE3 3.91Å; F250-W548 AromaticContact CE1-CG 3.69Å; F250-W548 HydrophobicContact CE1-CG 3.69Å; F250-W548 HydrophobicContact CZ-CB 4.42Å; F250-W548 AromaticContact CZ-CD2 3.69Å; F250-W548 HydrophobicContact CZ-CD2 3.69Å; F250-W548 AromaticContact CZ-CE3 3.46Å; F250-W548 HydrophobicContact CZ-CE3 3.46Å; F250-W548 VanDerWaalsContact CZ-CE3 3.46Å; F250-W548 HydrophobicContact CZ-CG 4.12Å; F250-W548 AromaticContact CZ-CZ3 3.98Å; F250-W548 HydrophobicContact CZ-CZ3 3.98Å; I331-W548 PolarHBondContact O-NE1 2.83Å; W334-W548 HydrophobicContact CB-CG 4.29Å; W334-W548 AromaticContact CD1-CD1 3.59Å; W334-W548 HydrophobicContact CD2-CB 4.35Å; W334-W548 HydrophobicContact CG-CB 4.36Å; W334-W548 AromaticContact CG-CD1 3.47Å; W334-W548 VanDerWaalsContact CG-CD1 3.47Å; W334-W548 HydrophobicContact CG-CG 4.21Å; G544-W548 PolarHBondContact O-N 2.93Å; G544-W548 VanDerWaalsContact O-N 3.13Å; F545-W548 PolarHBondContact O-N 2.87Å; W548-T550 PolarHBondContact O-N 3.37Å; W548-L551 PolarHBondContact O-N 3.47Å; W548-T552 HydrophobicContact CH2-CG2 4.1Å; W548-T552 HydrophobicContact CZ2-CG2 4.2Å; W548-T552 WeakPolarHBondContact O-CB 3.38Å; W548-T552 PolarHBondContact O-N 2.84Å; W548-T552 PolarHBondContact O-OG1 3.47Å; W548-T552 VanDerWaalsContact O-OG1 3.04Å
549	W	97.1	Very high	94.6	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.015	10%	0.096	C	C	.	.	H	α-helix	trans	-61.8	-43.8	-178.7	179.9	-102.9	0	0	0	112.3	F233 A236 A237 F240 A285 F545 L551 T552 S553	F233-W549 HydrophobicContact CB-CZ2 3.98Å; F233-W549 AromaticContact CD1-CH2 3.96Å; F233-W549 HydrophobicContact CD1-CH2 3.96Å; F233-W549 AromaticContact CD1-CZ2 3.66Å; F233-W549 HydrophobicContact CD1-CZ2 3.66Å; F233-W549 HydrophobicContact CE1-CZ2 4.49Å; F233-W549 HydrophobicContact CG-CZ2 4.15Å; F233-W549 WeakPolarHBondContact O-CH2 3.19Å; F233-W549 WeakPolarHBondContact O-CZ2 3.11Å; A236-W549 HydrophobicContact CB-CH2 3.95Å; A236-W549 HydrophobicContact CB-CZ3 4.47Å; A237-W549 HydrophobicContact CB-CE3 4.41Å; A237-W549 HydrophobicContact CB-CH2 3.65Å; A237-W549 HydrophobicContact CB-CZ2 3.83Å; A237-W549 HydrophobicContact CB-CZ3 3.98Å; F240-W549 HydrophobicContact CD2-CZ3 4.03Å; A285-W549 HydrophobicContact CB-CD2 4.06Å; A285-W549 HydrophobicContact CB-CG 4.03Å; A285-W549 HydrophobicContact CB-CZ2 4.25Å; A285-W549 PolarHBondContact O-NE1 2.89Å; F545-W549 HydrophobicContact CE1-CB 4.47Å; F545-W549 HydrophobicContact CE2-CB 4.17Å; F545-W549 HydrophobicContact CE2-CE3 4.42Å; F545-W549 HydrophobicContact CZ-CB 4.13Å; F545-W549 HydrophobicContact CZ-CD2 4.39Å; F545-W549 HydrophobicContact CZ-CG 4.2Å; F545-W549 VanDerWaalsContact O-CB 3.22Å; F545-W549 WeakPolarHBondContact O-CB 3.42Å; F545-W549 PolarHBondContact O-N 3.36Å; W549-L551 VanDerWaalsContact C-N 3.27Å; W549-L551 PolarHBondContact O-N 3.28Å; W549-T552 PolarHBondContact O-N 2.93Å; W549-S553 VanDerWaalsContact O-CB 3.24Å; W549-S553 WeakPolarHBondContact O-CB 3.39Å; W549-S553 PolarHBondContact O-N 3.46Å; W549-S553 PolarHBondContact O-OG 3.12Å
550	T	96.2	Very high	94.8	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-58.2	-43.1	177.8	-63.6	0	0	0	0	110.8	F292 L449 F450 L453 L546 W548 S553 W554	F292-T550 HydrophobicContact CE2-CG2 3.62Å; F292-T550 WeakPolarHBondContact CE2-O 3.47Å; F292-T550 HydrophobicContact CZ-CG2 3.68Å; L449-T550 HydrophobicContact CD2-CG2 3.44Å; L449-T550 VanDerWaalsContact CD2-CG2 3.44Å; F450-T550 HydrophobicContact CB-CG2 4.17Å; F450-T550 HydrophobicContact CD2-CG2 4.08Å; L453-T550 HydrophobicContact CD1-CG2 4.29Å; L453-T550 VanDerWaalsContact CD1-OG1 3.29Å; L453-T550 WeakPolarHBondContact CD1-OG1 3.5Å; L546-T550 WeakPolarHBondContact O-CB 3.22Å; L546-T550 PolarHBondContact O-N 3.28Å; L546-T550 PolarHBondContact O-OG1 3.07Å; W548-T550 PolarHBondContact O-N 3.37Å; T550-S553 PolarHBondContact O-OG 3.47Å; T550-W554 WeakPolarHBondContact O-CB 3.46Å; T550-W554 PolarHBondContact O-N 2.79Å
551	L	95.9	Very high	94.9	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.021	10%	0.096	C	C	.	.	H	α-helix	trans	-71.1	-45.2	179.2	-163.1	59	0	0	0	112.2	P327 P330 I331 F450 V547 W548 W549 W554 Q555	P327-L551 HydrophobicContact CB-CD1 4.01Å; P327-L551 HydrophobicContact CB-CG 4.3Å; P330-L551 HydrophobicContact CB-CD2 4.01Å; P330-L551 HydrophobicContact CG-CD2 3.43Å; P330-L551 VanDerWaalsContact CG-CD2 3.43Å; I331-L551 HydrophobicContact CD1-CG 4.17Å; I331-L551 HydrophobicContact CG1-CB 4.34Å; I331-L551 HydrophobicContact CG1-CD2 3.99Å; I331-L551 HydrophobicContact CG1-CG 4.01Å; F450-L551 HydrophobicContact CD2-CB 4.22Å; F450-L551 HydrophobicContact CD2-CD1 4.3Å; F450-L551 HydrophobicContact CE2-CB 3.74Å; F450-L551 HydrophobicContact CE2-CD1 4.04Å; F450-L551 HydrophobicContact CE2-CD2 4.06Å; F450-L551 HydrophobicContact CE2-CG 4.18Å; F450-L551 HydrophobicContact CZ-CB 4.43Å; F450-L551 HydrophobicContact CZ-CD1 4.15Å; F450-L551 HydrophobicContact CZ-CD2 3.92Å; F450-L551 HydrophobicContact CZ-CG 4.42Å; V547-L551 PolarHBondContact O-N 3.44Å; W548-L551 PolarHBondContact O-N 3.47Å; W549-L551 VanDerWaalsContact C-N 3.27Å; W549-L551 PolarHBondContact O-N 3.28Å; L551-W554 HydrophobicContact CD1-CE3 4.39Å; L551-Q555 VanDerWaalsContact O-CB 3.27Å; L551-Q555 WeakPolarHBondContact O-CB 3.24Å; L551-Q555 PolarHBondContact O-N 2.87Å
552	T	96	Very high	94.9	Very high	22 Å²	22	21 Å²	21	14%	0.135	11%	0.105	C	C	.	.	H	α-helix	trans	-64.4	-49.4	-179.7	-62.4	0	0	0	0	111.8	W548 W549 W554 Q555 L556	W548-T552 HydrophobicContact CH2-CG2 4.1Å; W548-T552 HydrophobicContact CZ2-CG2 4.2Å; W548-T552 WeakPolarHBondContact O-CB 3.38Å; W548-T552 PolarHBondContact O-N 2.84Å; W548-T552 PolarHBondContact O-OG1 3.47Å; W548-T552 VanDerWaalsContact O-OG1 3.04Å; W549-T552 PolarHBondContact O-N 2.93Å; T552-W554 PolarHBondContact O-N 3.47Å; T552-Q555 PolarHBondContact O-N 3Å; T552-L556 VanDerWaalsContact O-CB 3.28Å; T552-L556 WeakPolarHBondContact O-CB 3.28Å; T552-L556 PolarHBondContact O-N 2.97Å
553	S	95.5	Very high	94.8	Very high	1 Å²	1	21 Å²	21	1%	0.007	11%	0.11	C	C	.	.	H	α-helix	trans	-63.2	-42.4	179.5	58.1	0	0	0	0	111.9	W549 T550 L556 M557	W549-S553 VanDerWaalsContact O-CB 3.24Å; W549-S553 WeakPolarHBondContact O-CB 3.39Å; W549-S553 PolarHBondContact O-N 3.46Å; W549-S553 PolarHBondContact O-OG 3.12Å; T550-S553 PolarHBondContact O-OG 3.47Å; S553-L556 PolarHBondContact O-N 3.27Å; S553-M557 PolarHBondContact O-N 3.48Å
554	W	95.5	Very high	94.6	Very high	3 Å²	3	25.9 Å²	25.9	1%	0.011	13%	0.128	C	C	.	.	H	α-helix	trans	-63.5	-47.3	175.6	-178.8	29.8	0	0	0	111.6	F292 R391 P446 C447 T550 L551 T552 L556 M557 C558	F292-W554 HydrophobicContact CD2-CB 3.83Å; F292-W554 HydrophobicContact CE2-CB 4.08Å; F292-W554 HydrophobicContact CG-CB 4.29Å; R391-W554 HydrophobicContact CG-CH2 4.42Å; R391-W554 VanDerWaalsContact NH1-CD2 3.25Å; R391-W554 VanDerWaalsContact NH1-CE2 3.26Å; P446-W554 HydrophobicContact CB-CD2 3.94Å; P446-W554 HydrophobicContact CB-CE3 4.35Å; P446-W554 HydrophobicContact CB-CG 4.37Å; P446-W554 HydrophobicContact CB-CH2 4.32Å; P446-W554 HydrophobicContact CB-CZ2 3.96Å; C447-W554 WeakPolarHBondContact SG-CH2 3.22Å; T550-W554 WeakPolarHBondContact O-CB 3.46Å; T550-W554 PolarHBondContact O-N 2.79Å; L551-W554 HydrophobicContact CD1-CE3 4.39Å; T552-W554 PolarHBondContact O-N 3.47Å; W554-L556 PolarHBondContact O-N 2.79Å; W554-M557 PolarHBondContact O-N 3.27Å; W554-C558 PolarHBondContact O-N 3.49Å; W554-C558 PolarHBondContact O-SG 3.44Å
555	Q	95.6	Very high	94.3	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.019	13%	0.134	C	C	.	.	H	α-helix	trans	-64.4	-40.2	179.1	-175	61.5	22.4	0	0	112.1	F324 I328 I331 L551 T552 M557 C558 F559	F324-Q555 PolarHBondContact O-NE2 2.93Å; I328-Q555 HydrophobicContact CG1-CG 4.49Å; I331-Q555 HydrophobicContact CD1-CB 4.09Å; I331-Q555 HydrophobicContact CD1-CG 4.4Å; L551-Q555 VanDerWaalsContact O-CB 3.27Å; L551-Q555 WeakPolarHBondContact O-CB 3.24Å; L551-Q555 PolarHBondContact O-N 2.87Å; T552-Q555 PolarHBondContact O-N 3Å; Q555-M557 VanDerWaalsContact C-N 3.31Å; Q555-M557 PolarHBondContact O-N 3.47Å; Q555-C558 WeakPolarHBondContact O-CB 3.42Å; Q555-C558 PolarHBondContact O-N 3.1Å; Q555-F559 HydrophobicContact CG-CD2 3.93Å; Q555-F559 HydrophobicContact CG-CE2 3.64Å; Q555-F559 WeakPolarHBondContact O-CD2 3.31Å; Q555-F559 PolarHBondContact O-N 3.3Å
556	L	95.3	Very high	94	Very high	75 Å²	75	34.5 Å²	34.5	39%	0.393	16%	0.162	S	C	.	.	H	α-helix	trans	-60.1	-41.8	175.7	-174.7	64.1	0	0	0	111.4	F232 F233 T552 S553 W554 F559 L560	F232-L556 HydrophobicContact CE1-CD2 3.79Å; F233-L556 HydrophobicContact CE1-CD2 4.04Å; T552-L556 VanDerWaalsContact O-CB 3.28Å; T552-L556 WeakPolarHBondContact O-CB 3.28Å; T552-L556 PolarHBondContact O-N 2.97Å; S553-L556 PolarHBondContact O-N 3.27Å; W554-L556 PolarHBondContact O-N 2.79Å; L556-F559 WeakPolarHBondContact O-CB 3.33Å; L556-F559 PolarHBondContact O-N 3.19Å; L556-L560 PolarHBondContact O-N 2.73Å
557	M	94.3	Very high	93.6	Very high	6 Å²	6	40.6 Å²	40.6	3%	0.03	19%	0.188	C	C	.	.	H	α-helix	trans	-69.8	-32	175.7	-75.9	-69	161.6	0	0	113	A229 F233 V293 G296 S553 W554 Q555 F559 L560 G561	A229-M557 HydrophobicContact CB-CE 3.79Å; F233-M557 HydrophobicContact CD2-CE 4.15Å; F233-M557 HydrophobicContact CE1-CE 4.32Å; F233-M557 HydrophobicContact CE2-CE 3.22Å; F233-M557 HydrophobicContact CE2-CG 3.93Å; F233-M557 HydrophobicContact CE2-SD 4.34Å; F233-M557 HydrophobicContact CZ-CE 3.34Å; F233-M557 HydrophobicContact CZ-CG 3.56Å; F233-M557 HydrophobicContact CZ-SD 4.29Å; V293-M557 HydrophobicContact CG2-CE 4.16Å; V293-M557 HydrophobicContact CG2-SD 4.24Å; G296-M557 CarbonylContact C-O 3.6Å; S553-M557 PolarHBondContact O-N 3.48Å; W554-M557 PolarHBondContact O-N 3.27Å; Q555-M557 VanDerWaalsContact C-N 3.31Å; Q555-M557 PolarHBondContact O-N 3.47Å; M557-F559 VanDerWaalsContact C-N 3.34Å; M557-L560 HydrophobicContact CE-CD2 4.04Å; M557-L560 PolarHBondContact O-N 3.15Å; M557-L560 HydrophobicContact SD-CD2 3.81Å; M557-G561 PolarHBondContact O-N 3.22Å
558	C	94.3	Very high	92.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.3	-41.8	170.4	-67.7	0	0	0	0	111.8	F299 F324 W554 Q555 L562	F299-C558 HydrophobicContact CD1-CB 3.8Å; F299-C558 WeakPolarHBondContact CD1-SG 3.43Å; F299-C558 HydrophobicContact CE1-CB 4.3Å; F324-C558 HydrophobicContact CE2-CB 4.35Å; W554-C558 PolarHBondContact O-N 3.49Å; W554-C558 PolarHBondContact O-SG 3.44Å; Q555-C558 WeakPolarHBondContact O-CB 3.42Å; Q555-C558 PolarHBondContact O-N 3.1Å; C558-L562 WeakPolarHBondContact O-CB 3.14Å; C558-L562 PolarHBondContact O-N 3.5Å
559	F	94.7	Very high	91.6	Very high	87 Å²	87	46.2 Å²	46.2	38%	0.382	23%	0.227	S	C	.	.	H	α-helix	trans	-65.1	-46.1	174.5	-80.4	-68.9	0	0	0	112.3	F324 I328 Q555 L556 M557 G561 L562 A563	F324-F559 HydrophobicContact CD1-CE1 4.38Å; F324-F559 AromaticContact CE1-CD1 3.69Å; F324-F559 HydrophobicContact CE1-CD1 3.69Å; F324-F559 AromaticContact CE1-CE1 3.25Å; F324-F559 HydrophobicContact CE1-CE1 3.25Å; F324-F559 AromaticContact CE1-CZ 3.8Å; F324-F559 HydrophobicContact CE1-CZ 3.8Å; F324-F559 AromaticContact CZ-CD1 3.49Å; F324-F559 HydrophobicContact CZ-CD1 3.49Å; F324-F559 VanDerWaalsContact CZ-CD1 3.49Å; F324-F559 AromaticContact CZ-CE1 3.59Å; F324-F559 HydrophobicContact CZ-CE1 3.59Å; F324-F559 HydrophobicContact CZ-CG 4.11Å; F324-F559 HydrophobicContact CZ-CZ 4.24Å; I328-F559 HydrophobicContact CD1-CE2 4.24Å; I328-F559 HydrophobicContact CD1-CZ 3.84Å; Q555-F559 HydrophobicContact CG-CD2 3.93Å; Q555-F559 HydrophobicContact CG-CE2 3.64Å; Q555-F559 WeakPolarHBondContact O-CD2 3.31Å; Q555-F559 PolarHBondContact O-N 3.3Å; L556-F559 WeakPolarHBondContact O-CB 3.33Å; L556-F559 PolarHBondContact O-N 3.19Å; M557-F559 VanDerWaalsContact C-N 3.34Å; F559-G561 VanDerWaalsContact C-N 3.31Å; F559-G561 PolarHBondContact O-N 3.02Å; F559-L562 WeakPolarHBondContact O-CB 3.45Å; F559-L562 PolarHBondContact O-N 3.1Å; F559-A563 PolarHBondContact O-N 3.3Å
560	L	92.9	Very high	89.8	Confident	92 Å²	92	54.1 Å²	54.1	48%	0.482	26%	0.264	S	S	.	.	H	α-helix	trans	-61.9	-41.4	177.6	-171.4	68.3	0	0	0	111.4	L556 M557 L562 A563 Y564	L556-L560 PolarHBondContact O-N 2.73Å; M557-L560 HydrophobicContact CE-CD2 4.04Å; M557-L560 PolarHBondContact O-N 3.15Å; M557-L560 HydrophobicContact SD-CD2 3.81Å; L560-L562 PolarHBondContact O-N 3.16Å; L560-A563 PolarHBondContact O-N 2.79Å; L560-Y564 VanDerWaalsContact O-CB 3.3Å; L560-Y564 WeakPolarHBondContact O-CB 3.47Å; L560-Y564 PolarHBondContact O-N 3.42Å
561	G	91.5	Very high	89.5	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.2	-42.7	174.5	0	0	0	0	0	113.7	M557 F559 H565	M557-G561 PolarHBondContact O-N 3.22Å; F559-G561 VanDerWaalsContact C-N 3.31Å; F559-G561 PolarHBondContact O-N 3.02Å; G561-H565 PolarHBondContact O-CD2 3.26Å; G561-H565 PolarHBondContact O-N 3.08Å; G561-H565 VanDerWaalsContact O-N 3.07Å
562	L	92.1	Very high	89.1	Confident	39 Å²	39	59.6 Å²	59.6	20%	0.204	29%	0.291	C	S	.	.	H	α-helix	trans	-63.5	-47.6	175.1	178.5	62.2	0	0	0	111.2	Y303 L304 F324 C558 F559 L560 H565 R566	Y303-L562 HydrophobicContact CD1-CD1 3.72Å; Y303-L562 HydrophobicContact CD1-CD2 4.43Å; Y303-L562 HydrophobicContact CE1-CD1 4.04Å; Y303-L562 HydrophobicContact CE1-CD2 4.23Å; L304-L562 HydrophobicContact CB-CD1 4.13Å; L304-L562 HydrophobicContact CD1-CD1 4.14Å; F324-L562 HydrophobicContact CE1-CD2 4.27Å; F324-L562 HydrophobicContact CE2-CD2 4.22Å; F324-L562 HydrophobicContact CZ-CD2 3.75Å; C558-L562 WeakPolarHBondContact O-CB 3.14Å; C558-L562 PolarHBondContact O-N 3.5Å; F559-L562 WeakPolarHBondContact O-CB 3.45Å; F559-L562 PolarHBondContact O-N 3.1Å; L560-L562 PolarHBondContact O-N 3.16Å; L562-H565 PolarHBondContact O-N 3.04Å; L562-R566 WeakPolarHBondContact O-CB 3.07Å; L562-R566 PolarHBondContact O-N 3.17Å
563	A	91.7	Very high	88.8	Confident	37 Å²	37	61.7 Å²	61.7	31%	0.306	30%	0.3	S	S	.	.	H	α-helix	trans	-60.4	-49.4	178.3	0	0	0	0	0	111	F559 L560 H565 R566 F567	F559-A563 PolarHBondContact O-N 3.3Å; L560-A563 PolarHBondContact O-N 2.79Å; A563-H565 PolarHBondContact O-N 3.2Å; A563-R566 WeakPolarHBondContact O-CB 3.39Å; A563-R566 PolarHBondContact O-N 3.35Å; A563-R566 VanDerWaalsContact O-N 3.15Å; A563-F567 HydrophobicContact CB-CD2 4.48Å; A563-F567 HydrophobicContact CB-CE2 4.34Å; A563-F567 WeakPolarHBondContact O-CD2 3.42Å; A563-F567 PolarHBondContact O-N 3.35Å
564	Y	90.6	Very high	88.4	Confident	144 Å²	144	65.2 Å²	65.2	57%	0.565	32%	0.317	S	S	*	.	H	α-helix	trans	-55.1	-50.2	178.1	175.4	-101.2	0	0	0	112.4	L560 R566 F567 A568	L560-Y564 VanDerWaalsContact O-CB 3.3Å; L560-Y564 WeakPolarHBondContact O-CB 3.47Å; L560-Y564 PolarHBondContact O-N 3.42Å; Y564-R566 VanDerWaalsContact C-N 3.31Å; Y564-R566 PolarHBondContact O-N 2.95Å; Y564-F567 PolarHBondContact O-N 3.24Å; Y564-A568 WeakPolarHBondContact O-CB 3.28Å; Y564-A568 PolarHBondContact O-N 3.14Å
565	H	87.4	Confident	87.9	Confident	27 Å²	27	69.1 Å²	69.1	13%	0.125	34%	0.336	C	S	.	.	H	α-helix	trans	-73.8	-21.5	-179.7	-81	-54.8	0	0	0	114	K301 G561 L562 A563 N569	K301-H565 WeakPolarHBondContact CB-CD2 3.49Å; G561-H565 PolarHBondContact O-CD2 3.26Å; G561-H565 PolarHBondContact O-N 3.08Å; G561-H565 VanDerWaalsContact O-N 3.07Å; L562-H565 PolarHBondContact O-N 3.04Å; A563-H565 PolarHBondContact O-N 3.2Å; H565-N569 WeakPolarHBondContact O-CB 3.47Å; H565-N569 PolarHBondContact O-N 3.23Å; H565-N569 PolarHBondContact O-ND2 3.07Å
566	R	88.3	Confident	87.4	Confident	153 Å²	153	73.5 Å²	73.5	58%	0.577	36%	0.357	S	S	*	.	H	α-helix	trans	-70.3	-52.6	170.8	-176.1	177.3	176.6	172.7	1.3	110.3	L304 L562 A563 Y564 A568 N569 E570	L304-R566 HydrophobicContact CD1-CB 4.31Å; L562-R566 WeakPolarHBondContact O-CB 3.07Å; L562-R566 PolarHBondContact O-N 3.17Å; A563-R566 WeakPolarHBondContact O-CB 3.39Å; A563-R566 PolarHBondContact O-N 3.35Å; A563-R566 VanDerWaalsContact O-N 3.15Å; Y564-R566 VanDerWaalsContact C-N 3.31Å; Y564-R566 PolarHBondContact O-N 2.95Å; R566-A568 VanDerWaalsContact C-N 3.26Å; R566-A568 PolarHBondContact O-N 3Å; R566-N569 PolarHBondContact O-N 3.38Å; R566-N569 VanDerWaalsContact O-N 3.08Å; R566-E570 WeakPolarHBondContact CG-OE1 3.44Å; R566-E570 IonicContact CZ-OE1 3.3Å; R566-E570 IonicContact NE-OE1 3.54Å; R566-E570 PolarHBondContact NE-OE1 3.17Å; R566-E570 VanDerWaalsContact NE-OE1 3.08Å; R566-E570 IonicContact NH2-OE1 2.82Å; R566-E570 PolarHBondContact O-N 3.14Å; R566-E570 VanDerWaalsContact O-N 3.09Å
567	F	87.9	Confident	86.8	Confident	148 Å²	148	73.4 Å²	73.4	65%	0.649	36%	0.355	S	S	*	.	H	α-helix	trans	-62.2	-31.1	177.7	-72.4	-61.7	0	0	0	113.6	A563 Y564 N569 E570	A563-F567 HydrophobicContact CB-CD2 4.48Å; A563-F567 HydrophobicContact CB-CE2 4.34Å; A563-F567 WeakPolarHBondContact O-CD2 3.42Å; A563-F567 PolarHBondContact O-N 3.35Å; Y564-F567 PolarHBondContact O-N 3.24Å; F567-N569 VanDerWaalsContact C-N 3.32Å; F567-E570 VanDerWaalsContact O-OXT 3.12Å
568	A	81.9	Confident	86.3	Confident	64 Å²	64	78.5 Å²	78.5	53%	0.529	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-12.7	177.2	0	0	0	0	0	114	Y564 R566	Y564-A568 WeakPolarHBondContact O-CB 3.28Å; Y564-A568 PolarHBondContact O-N 3.14Å; R566-A568 VanDerWaalsContact C-N 3.26Å; R566-A568 PolarHBondContact O-N 3Å
569	N	70	Confident	85.6	Confident	61 Å²	61	85.1 Å²	85.1	33%	0.326	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-17.6	177.5	-76.9	-47.1	0	0	0	112.8	L304 K308 R412 H565 R566 F567	L304-N569 WeakPolarHBondContact CD2-ND2 3.18Å; K308-N569 PolarHBondContact NZ-ND2 2.94Å; R412-N569 PolarHBondContact NH1-OD1 2.98Å; H565-N569 WeakPolarHBondContact O-CB 3.47Å; H565-N569 PolarHBondContact O-N 3.23Å; H565-N569 PolarHBondContact O-ND2 3.07Å; R566-N569 PolarHBondContact O-N 3.38Å; R566-N569 VanDerWaalsContact O-N 3.08Å; F567-N569 VanDerWaalsContact C-N 3.32Å
570	E	58.5	Low	84.8	Confident	169 Å²	169	84.9 Å²	84.9	79%	0.79	41%	0.414	S	S	*	.			trans	-79.9	0	165.1	-70.1	173.1	-167.9	0	0	108.5	R566 F567	R566-E570 WeakPolarHBondContact CG-OE1 3.44Å; R566-E570 IonicContact CZ-OE1 3.3Å; R566-E570 IonicContact NE-OE1 3.54Å; R566-E570 PolarHBondContact NE-OE1 3.17Å; R566-E570 VanDerWaalsContact NE-OE1 3.08Å; R566-E570 IonicContact NH2-OE1 2.82Å; R566-E570 PolarHBondContact O-N 3.14Å; R566-E570 VanDerWaalsContact O-N 3.09Å; F567-E570 VanDerWaalsContact O-OXT 3.12Å

Retrieved 570 of 570 residues in 356.7 ms (Link to these results)

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