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Lipid scramblase CLPTM1L

Scramblase that mediates the translocation of glucosaminylphosphatidylinositol (alpha-D-GlcN-(1-6)-(1,2-diacyl-sn-glycero-3-phospho)-1D-myo-inositol, GlcN-PI) across the endoplasmic reticulum (ER) membrane, from the cytosolic leaflet to the luminal leaflet of the ER membrane, where it participates in the biosynthesis of glycosylphosphatidylinositol (GPI). GPI is a lipid glycoconjugate involved in post-translational modification of proteins. Can also translocate 1,2-diacyl-sn-glycero-3-phospho-(1D-myo-inositol) (phosphatidylinositol or PI), as well as several other phospholipids (1,2-diacyl-sn-glycero-3-phosphocholine, 1,2-diacyl-sn-glycero-3-phosphoethanolamine), and N-acetylglucosaminylphosphatidylinositol (GlcNAc-PI) in vitro.

AlphaFold DB , UniProt , Accession A0A077ZH95, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 542 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	51.6	Low	73.7	Confident	223 Å²	223	99.2 Å²	99.2	100%	1.099	58%	0.579	S	S	*	*				0	-24.6	0	-78.4	-179.6	-167.5	0	0	114.2	G5	M1-G5 PolarHBondContact O-N 3.22Å
2	G	65.3	Low	74	Confident	53 Å²	53	100.7 Å²	100.7	55%	0.546	58%	0.582	S	S	.	*	H	α-helix	trans	-66.9	-39	-179.1	0	0	0	0	0	116.1	G5 N6	G2-G5 PolarHBondContact O-N 3.23Å; G2-N6 PolarHBondContact O-N 2.74Å; G2-N6 PolarHBondContact O-OD1 3.37Å
3	F	69.7	Low	74.6	Confident	164 Å²	164	99.9 Å²	99.9	72%	0.719	58%	0.579	S	S	*	*	H	α-helix	trans	-66.8	-40.8	-176.9	-167.5	-104.8	0	0	0	113.4	G5 N6 I7	F3-G5 VanDerWaalsContact C-N 3.33Å; F3-N6 PolarHBondContact O-N 3.38Å; F3-I7 HydrophobicContact CD1-CD1 3.77Å; F3-I7 HydrophobicContact CE1-CD1 3.47Å; F3-I7 VanDerWaalsContact CE1-CD1 3.47Å; F3-I7 HydrophobicContact CE1-CG1 4.45Å; F3-I7 HydrophobicContact CZ-CD1 4.1Å; F3-I7 WeakPolarHBondContact O-CG1 3.39Å; F3-I7 PolarHBondContact O-N 3.28Å; F3-I7 VanDerWaalsContact O-N 3.14Å
4	I	72.5	Confident	75.4	Confident	132 Å²	132	97.2 Å²	97.2	68%	0.677	57%	0.574	S	S	*	*	H	α-helix	trans	-66	-38.6	175.1	-62.1	169.6	0	0	0	110.4	I7 A8	I4-I7 PolarHBondContact O-N 2.83Å; I4-A8 WeakPolarHBondContact O-CB 3.42Å; I4-A8 PolarHBondContact O-N 3.22Å
5	G	72.8	Confident	75.9	Confident	32 Å²	32	101.5 Å²	101.5	33%	0.33	58%	0.578	S	S	.	*	H	α-helix	trans	-59.3	-46.1	174.1	0	0	0	0	0	112.4	M1 G2 F3 I7 A8 T9	M1-G5 PolarHBondContact O-N 3.22Å; G2-G5 PolarHBondContact O-N 3.23Å; F3-G5 VanDerWaalsContact C-N 3.33Å; G5-I7 PolarHBondContact O-N 2.7Å; G5-A8 PolarHBondContact O-N 2.93Å; G5-T9 WeakPolarHBondContact O-CG2 3.47Å; G5-T9 PolarHBondContact O-N 2.81Å; G5-T9 PolarHBondContact O-OG1 3.42Å; G5-T9 VanDerWaalsContact O-OG1 3.13Å
6	N	77.3	Confident	76	Confident	114 Å²	114	97.8 Å²	97.8	61%	0.61	56%	0.564	S	S	*	*	H	α-helix	trans	-66.2	-38.2	-179.5	-69.1	-3.2	0	0	0	112.9	G2 F3 T9 G10	G2-N6 PolarHBondContact O-N 2.74Å; G2-N6 PolarHBondContact O-OD1 3.37Å; F3-N6 PolarHBondContact O-N 3.38Å; N6-T9 VanDerWaalsContact C-OG1 3.3Å; N6-T9 VanDerWaalsContact CA-OG1 3.28Å; N6-T9 WeakPolarHBondContact CA-OG1 3.41Å; N6-T9 PolarHBondContact O-OG1 2.93Å; N6-G10 PolarHBondContact O-N 3.14Å
7	I	82.8	Confident	76.4	Confident	83 Å²	83	96.1 Å²	96.1	43%	0.426	56%	0.56	S	S	.	*	H	α-helix	trans	-65.9	-45.3	174	-67.4	170	0	0	0	110.3	F3 I4 G5 T9 G10 I11	F3-I7 HydrophobicContact CD1-CD1 3.77Å; F3-I7 HydrophobicContact CE1-CD1 3.47Å; F3-I7 VanDerWaalsContact CE1-CD1 3.47Å; F3-I7 HydrophobicContact CE1-CG1 4.45Å; F3-I7 HydrophobicContact CZ-CD1 4.1Å; F3-I7 WeakPolarHBondContact O-CG1 3.39Å; F3-I7 PolarHBondContact O-N 3.28Å; F3-I7 VanDerWaalsContact O-N 3.14Å; I4-I7 PolarHBondContact O-N 2.83Å; G5-I7 PolarHBondContact O-N 2.7Å; I7-T9 VanDerWaalsContact C-N 3.32Å; I7-T9 PolarHBondContact O-N 2.75Å; I7-G10 PolarHBondContact O-N 3.05Å; I7-G10 VanDerWaalsContact O-N 3.14Å; I7-I11 HydrophobicContact CG2-CD1 3.77Å; I7-I11 HydrophobicContact CG2-CG1 4.36Å; I7-I11 WeakPolarHBondContact O-CG1 3.49Å; I7-I11 PolarHBondContact O-N 3.25Å
8	A	75.1	Confident	77	Confident	57 Å²	57	98.6 Å²	98.6	47%	0.471	56%	0.559	S	S	.	*	H	α-helix	trans	-60.8	-41.2	178.4	0	0	0	0	0	111.8	I4 G5 I11 L12	I4-A8 WeakPolarHBondContact O-CB 3.42Å; I4-A8 PolarHBondContact O-N 3.22Å; G5-A8 PolarHBondContact O-N 2.93Å; A8-I11 PolarHBondContact O-N 3Å; A8-L12 WeakPolarHBondContact O-CB 3.46Å; A8-L12 PolarHBondContact O-N 2.83Å
9	T	76.1	Confident	77.1	Confident	81 Å²	81	94.8 Å²	94.8	50%	0.497	54%	0.54	S	S	.	.	H	α-helix	trans	-64.8	-40.3	174	48.3	0	0	0	0	112.2	G5 N6 I7 L12 V13	G5-T9 WeakPolarHBondContact O-CG2 3.47Å; G5-T9 PolarHBondContact O-N 2.81Å; G5-T9 PolarHBondContact O-OG1 3.42Å; G5-T9 VanDerWaalsContact O-OG1 3.13Å; N6-T9 VanDerWaalsContact C-OG1 3.3Å; N6-T9 VanDerWaalsContact CA-OG1 3.28Å; N6-T9 WeakPolarHBondContact CA-OG1 3.41Å; N6-T9 PolarHBondContact O-OG1 2.93Å; I7-T9 VanDerWaalsContact C-N 3.32Å; I7-T9 PolarHBondContact O-N 2.75Å; T9-L12 PolarHBondContact O-N 3.17Å; T9-V13 WeakPolarHBondContact O-CG2 3.41Å; T9-V13 PolarHBondContact O-N 3.1Å
10	G	80.8	Confident	77.2	Confident	41 Å²	41	96 Å²	96	42%	0.423	54%	0.543	S	S	.	.	H	α-helix	trans	-63	-44	176.9	0	0	0	0	0	112.6	N6 I7 L12 V13 A14	N6-G10 PolarHBondContact O-N 3.14Å; I7-G10 PolarHBondContact O-N 3.05Å; I7-G10 VanDerWaalsContact O-N 3.14Å; G10-L12 VanDerWaalsContact C-N 3.35Å; G10-V13 PolarHBondContact O-N 3.48Å; G10-A14 WeakPolarHBondContact O-CB 3.43Å; G10-A14 PolarHBondContact O-N 3.19Å
11	I	86.3	Confident	77.7	Confident	111 Å²	111	97.9 Å²	97.9	57%	0.569	54%	0.542	S	S	*	.	H	α-helix	trans	-62.8	-42.7	175.1	-66.7	169	0	0	0	110.7	I7 A8 A14 Y15	I7-I11 HydrophobicContact CG2-CD1 3.77Å; I7-I11 HydrophobicContact CG2-CG1 4.36Å; I7-I11 WeakPolarHBondContact O-CG1 3.49Å; I7-I11 PolarHBondContact O-N 3.25Å; A8-I11 PolarHBondContact O-N 3Å; I11-A14 PolarHBondContact O-N 2.92Å; I11-Y15 VanDerWaalsContact O-CB 3.3Å; I11-Y15 WeakPolarHBondContact O-CB 3.45Å; I11-Y15 PolarHBondContact O-N 3.38Å
12	L	77.8	Confident	79.1	Confident	117 Å²	117	92 Å²	92	61%	0.613	52%	0.515	S	S	*	.	H	α-helix	trans	-64.1	-41	179.5	-174.1	139.2	0	0	0	112.1	A8 T9 G10 Y15 A16	A8-L12 WeakPolarHBondContact O-CB 3.46Å; A8-L12 PolarHBondContact O-N 2.83Å; T9-L12 PolarHBondContact O-N 3.17Å; G10-L12 VanDerWaalsContact C-N 3.35Å; L12-Y15 PolarHBondContact O-N 3.42Å; L12-A16 WeakPolarHBondContact O-CB 3.39Å; L12-A16 PolarHBondContact O-N 3.05Å
13	V	81.1	Confident	79.7	Confident	91 Å²	91	95 Å²	95	55%	0.552	51%	0.513	S	S	*	.	H	α-helix	trans	-66.9	-43.3	175.1	172.8	0	0	0	0	111.3	T9 G10 Y15 A16 S17	T9-V13 WeakPolarHBondContact O-CG2 3.41Å; T9-V13 PolarHBondContact O-N 3.1Å; G10-V13 PolarHBondContact O-N 3.48Å; V13-Y15 VanDerWaalsContact C-N 3.32Å; V13-Y15 PolarHBondContact O-N 3.15Å; V13-A16 PolarHBondContact O-N 3.33Å; V13-S17 WeakPolarHBondContact O-CB 3.39Å; V13-S17 PolarHBondContact O-N 2.84Å; V13-S17 PolarHBondContact O-OG 2.81Å; V13-S17 VanDerWaalsContact O-OG 3.12Å
14	A	85.9	Confident	80.3	Confident	62 Å²	62	93.7 Å²	93.7	51%	0.512	50%	0.504	S	S	.	.	H	α-helix	trans	-61.8	-41.9	175.9	0	0	0	0	0	111.7	G10 I11 Y18	G10-A14 WeakPolarHBondContact O-CB 3.43Å; G10-A14 PolarHBondContact O-N 3.19Å; I11-A14 PolarHBondContact O-N 2.92Å; A14-Y18 WeakPolarHBondContact O-CB 3.49Å; A14-Y18 PolarHBondContact O-N 2.91Å
15	Y	83.9	Confident	80.8	Confident	161 Å²	161	90 Å²	90	63%	0.631	48%	0.484	S	S	*	.	H	α-helix	trans	-63.3	-47.6	174.9	-179.7	-99	0	0	0	111.6	I11 L12 V13 S17 Y18 S19	I11-Y15 VanDerWaalsContact O-CB 3.3Å; I11-Y15 WeakPolarHBondContact O-CB 3.45Å; I11-Y15 PolarHBondContact O-N 3.38Å; L12-Y15 PolarHBondContact O-N 3.42Å; V13-Y15 VanDerWaalsContact C-N 3.32Å; V13-Y15 PolarHBondContact O-N 3.15Å; Y15-S17 PolarHBondContact O-N 3.36Å; Y15-Y18 PolarHBondContact O-N 3.13Å; Y15-S19 PolarHBondContact O-N 2.8Å; Y15-S19 PolarHBondContact O-OG 3.32Å; Y15-S19 VanDerWaalsContact O-OG 3.08Å
16	A	76.9	Confident	81.1	Confident	43 Å²	43	89.8 Å²	89.8	36%	0.355	48%	0.475	S	S	.	.	H	α-helix	trans	-59.7	-44.9	177.9	0	0	0	0	0	112	L12 V13 Y18 S19 I20	L12-A16 WeakPolarHBondContact O-CB 3.39Å; L12-A16 PolarHBondContact O-N 3.05Å; V13-A16 PolarHBondContact O-N 3.33Å; A16-Y18 PolarHBondContact O-N 2.96Å; A16-S19 PolarHBondContact O-N 3.03Å; A16-I20 VanDerWaalsContact O-CG1 3.3Å; A16-I20 WeakPolarHBondContact O-CG1 3.31Å; A16-I20 PolarHBondContact O-N 2.8Å
17	S	82.2	Confident	81.2	Confident	69 Å²	69	87.8 Å²	87.8	48%	0.483	46%	0.464	S	S	.	.	H	α-helix	trans	-62.1	-41.9	175	-64.6	0	0	0	0	112.2	V13 Y15 I20 Y21	V13-S17 WeakPolarHBondContact O-CB 3.39Å; V13-S17 PolarHBondContact O-N 2.84Å; V13-S17 PolarHBondContact O-OG 2.81Å; V13-S17 VanDerWaalsContact O-OG 3.12Å; Y15-S17 PolarHBondContact O-N 3.36Å; S17-I20 PolarHBondContact O-N 3.37Å; S17-Y21 WeakPolarHBondContact O-CB 3.46Å; S17-Y21 PolarHBondContact O-N 3.24Å
18	Y	87.8	Confident	81.2	Confident	141 Å²	141	90.7 Å²	90.7	55%	0.553	47%	0.47	S	S	*	.	H	α-helix	trans	-64.8	-39.8	175.3	-178.8	-102.7	0	0	0	112.1	A14 Y15 A16 Y21 L22	A14-Y18 WeakPolarHBondContact O-CB 3.49Å; A14-Y18 PolarHBondContact O-N 2.91Å; Y15-Y18 PolarHBondContact O-N 3.13Å; A16-Y18 PolarHBondContact O-N 2.96Å; Y18-Y21 WeakPolarHBondContact O-CB 3.39Å; Y18-Y21 PolarHBondContact O-N 3.49Å; Y18-L22 WeakPolarHBondContact O-CB 3.4Å; Y18-L22 PolarHBondContact O-N 2.87Å
19	S	78.8	Confident	81.5	Confident	27 Å²	27	89.4 Å²	89.4	19%	0.189	46%	0.458	C	S	.	.	H	α-helix	trans	-62.8	-44.8	174.2	-62	0	0	0	0	111.5	Y15 A16 Y21 L22 F23	Y15-S19 PolarHBondContact O-N 2.8Å; Y15-S19 PolarHBondContact O-OG 3.32Å; Y15-S19 VanDerWaalsContact O-OG 3.08Å; A16-S19 PolarHBondContact O-N 3.03Å; S19-Y21 VanDerWaalsContact C-N 3.33Å; S19-Y21 PolarHBondContact O-N 3.08Å; S19-L22 WeakPolarHBondContact O-CB 3.49Å; S19-L22 PolarHBondContact O-N 3.28Å; S19-F23 WeakPolarHBondContact O-CD2 3.29Å; S19-F23 PolarHBondContact O-N 3.22Å
20	I	80.1	Confident	81.8	Confident	118 Å²	118	90.6 Å²	90.6	61%	0.605	46%	0.457	S	S	*	.	H	α-helix	trans	-60.4	-44.6	175.8	-68	164.5	0	0	0	110.5	A16 S17 L22 F23 Y24	A16-I20 VanDerWaalsContact O-CG1 3.3Å; A16-I20 WeakPolarHBondContact O-CG1 3.31Å; A16-I20 PolarHBondContact O-N 2.8Å; S17-I20 PolarHBondContact O-N 3.37Å; I20-L22 VanDerWaalsContact C-N 3.34Å; I20-L22 PolarHBondContact O-N 3.4Å; I20-F23 PolarHBondContact O-N 2.9Å; I20-Y24 PolarHBondContact O-N 3.35Å
21	Y	85.8	Confident	81.9	Confident	135 Å²	135	96.6 Å²	96.6	53%	0.529	47%	0.467	S	S	.	.	H	α-helix	trans	-59.3	-44	175	176	-96.2	0	0	0	112	S17 Y18 S19 Y24 H25	S17-Y21 WeakPolarHBondContact O-CB 3.46Å; S17-Y21 PolarHBondContact O-N 3.24Å; Y18-Y21 WeakPolarHBondContact O-CB 3.39Å; Y18-Y21 PolarHBondContact O-N 3.49Å; S19-Y21 VanDerWaalsContact C-N 3.33Å; S19-Y21 PolarHBondContact O-N 3.08Å; Y21-Y24 WeakPolarHBondContact O-CB 3.28Å; Y21-Y24 PolarHBondContact O-N 3.46Å; Y21-H25 AromaticContact CD1-CD2 3.88Å; Y21-H25 AromaticContact CD2-CD2 3.89Å; Y21-H25 AromaticContact CD2-NE2 3.96Å; Y21-H25 AromaticContact CE1-CD2 3.47Å; Y21-H25 VanDerWaalsContact CE1-CD2 3.47Å; Y21-H25 WeakPolarHBondContact CE1-CD2 3.47Å; Y21-H25 AromaticContact CE1-NE2 3.73Å; Y21-H25 AromaticContact CE2-CD2 3.51Å; Y21-H25 AromaticContact CE2-NE2 3.16Å; Y21-H25 WeakPolarHBondContact CE2-NE2 3.34Å; Y21-H25 AromaticContact CZ-CD2 3.28Å; Y21-H25 AromaticContact CZ-NE2 3.02Å; Y21-H25 PolarHBondContact O-CD2 3.4Å; Y21-H25 PolarHBondContact O-N 3.47Å; Y21-H25 PolarHBondContact OH-NE2 3.14Å
22	L	82.4	Confident	81.7	Confident	99 Å²	99	92 Å²	92	52%	0.518	45%	0.445	S	S	.	.	H	α-helix	trans	-62.1	-44	176.3	-164.7	81.9	0	0	0	111.7	Y18 S19 I20 Y24 H25 L26	Y18-L22 WeakPolarHBondContact O-CB 3.4Å; Y18-L22 PolarHBondContact O-N 2.87Å; S19-L22 WeakPolarHBondContact O-CB 3.49Å; S19-L22 PolarHBondContact O-N 3.28Å; I20-L22 VanDerWaalsContact C-N 3.34Å; I20-L22 PolarHBondContact O-N 3.4Å; L22-Y24 VanDerWaalsContact C-N 3.34Å; L22-Y24 PolarHBondContact O-N 2.97Å; L22-H25 PolarHBondContact O-N 3.33Å; L22-L26 WeakPolarHBondContact O-CB 3.26Å; L22-L26 PolarHBondContact O-N 3.16Å
23	F	77.9	Confident	81.8	Confident	117 Å²	117	92.1 Å²	92.1	51%	0.513	45%	0.45	S	S	.	.	H	α-helix	trans	-63	-39.4	175.8	-88.2	-70.6	0	0	0	112.4	S19 I20 L26 I27 F247	S19-F23 WeakPolarHBondContact O-CD2 3.29Å; S19-F23 PolarHBondContact O-N 3.22Å; I20-F23 PolarHBondContact O-N 2.9Å; F23-L26 HydrophobicContact CD1-CD2 4.25Å; F23-L26 WeakPolarHBondContact O-CB 3.33Å; F23-L26 PolarHBondContact O-N 3.27Å; F23-I27 WeakPolarHBondContact O-CG1 3.3Å; F23-I27 PolarHBondContact O-N 3.17Å; F23-I27 VanDerWaalsContact O-N 3.11Å; F23-F247 HydrophobicContact CE1-CE2 4.49Å
24	Y	82.1	Confident	81.3	Confident	136 Å²	136	90.3 Å²	90.3	53%	0.533	44%	0.44	S	S	.	.	H	α-helix	trans	-60.6	-48.4	174.8	178.5	-94.8	0	0	0	111.2	I20 Y21 L22 L26 I27 Y28	I20-Y24 PolarHBondContact O-N 3.35Å; Y21-Y24 WeakPolarHBondContact O-CB 3.28Å; Y21-Y24 PolarHBondContact O-N 3.46Å; L22-Y24 VanDerWaalsContact C-N 3.34Å; L22-Y24 PolarHBondContact O-N 2.97Å; Y24-L26 VanDerWaalsContact C-N 3.27Å; Y24-L26 PolarHBondContact O-N 3.16Å; Y24-I27 PolarHBondContact O-N 3.28Å; Y24-Y28 AromaticContact CD2-CD2 3.69Å; Y24-Y28 HydrophobicContact CD2-CD2 3.69Å; Y24-Y28 HydrophobicContact CD2-CE2 4.09Å; Y24-Y28 AromaticContact CE2-CD2 3.52Å; Y24-Y28 HydrophobicContact CE2-CD2 3.52Å; Y24-Y28 AromaticContact CE2-CE2 3.9Å; Y24-Y28 HydrophobicContact CE2-CE2 3.9Å; Y24-Y28 HydrophobicContact CE2-CG 4.33Å; Y24-Y28 HydrophobicContact CG-CD2 4.31Å; Y24-Y28 WeakPolarHBondContact O-CB 3.45Å; Y24-Y28 WeakPolarHBondContact O-CD2 3.41Å; Y24-Y28 PolarHBondContact O-N 2.9Å
25	H	81.8	Confident	80.4	Confident	55 Å²	55	96.9 Å²	96.9	26%	0.255	45%	0.452	S	S	.	.	H	α-helix	trans	-66.6	-26.2	176.7	-83.4	-74.6	0	0	0	113.9	Y21 L22 Y28	Y21-H25 AromaticContact CD1-CD2 3.88Å; Y21-H25 AromaticContact CD2-CD2 3.89Å; Y21-H25 AromaticContact CD2-NE2 3.96Å; Y21-H25 AromaticContact CE1-CD2 3.47Å; Y21-H25 VanDerWaalsContact CE1-CD2 3.47Å; Y21-H25 WeakPolarHBondContact CE1-CD2 3.47Å; Y21-H25 AromaticContact CE1-NE2 3.73Å; Y21-H25 AromaticContact CE2-CD2 3.51Å; Y21-H25 AromaticContact CE2-NE2 3.16Å; Y21-H25 WeakPolarHBondContact CE2-NE2 3.34Å; Y21-H25 AromaticContact CZ-CD2 3.28Å; Y21-H25 AromaticContact CZ-NE2 3.02Å; Y21-H25 PolarHBondContact O-CD2 3.4Å; Y21-H25 PolarHBondContact O-N 3.47Å; Y21-H25 PolarHBondContact OH-NE2 3.14Å; L22-H25 PolarHBondContact O-N 3.33Å; H25-Y28 CarbonylContact O-C 3.56Å
26	L	80.6	Confident	79.4	Confident	28 Å²	28	95.8 Å²	95.8	15%	0.147	46%	0.464	C	S	.	.	H	α-helix	trans	-67.7	-44.6	174.4	-178	70.3	0	0	0	111.5	L22 F23 Y24 H246 F247 N250	L22-L26 WeakPolarHBondContact O-CB 3.26Å; L22-L26 PolarHBondContact O-N 3.16Å; F23-L26 HydrophobicContact CD1-CD2 4.25Å; F23-L26 WeakPolarHBondContact O-CB 3.33Å; F23-L26 PolarHBondContact O-N 3.27Å; Y24-L26 VanDerWaalsContact C-N 3.27Å; Y24-L26 PolarHBondContact O-N 3.16Å; L26-H246 VanDerWaalsContact CD1-CE1 3.41Å; L26-H246 WeakPolarHBondContact CD1-CE1 3.19Å; L26-H246 PolarHBondContact O-ND1 3.28Å; L26-F247 HydrophobicContact CD2-CD2 3.82Å; L26-N250 HydrophobicContact CD1-CB 4.35Å; L26-N250 WeakPolarHBondContact CD1-ND2 3.3Å
27	I	79	Confident	78.8	Confident	72 Å²	72	97.7 Å²	97.7	37%	0.369	49%	0.488	S	S	.	.	H	α-helix	trans	-79.2	-31.4	-179.7	-62.2	170.6	0	0	0	111.5	F23 Y24 P29 G243	F23-I27 WeakPolarHBondContact O-CG1 3.3Å; F23-I27 PolarHBondContact O-N 3.17Å; F23-I27 VanDerWaalsContact O-N 3.11Å; Y24-I27 PolarHBondContact O-N 3.28Å; I27-P29 WeakPolarHBondContact O-CD 3.42Å; I27-G243 VanDerWaalsContact O-CA 3.22Å; I27-G243 WeakPolarHBondContact O-CA 3.22Å
28	Y	81.8	Confident	78	Confident	143 Å²	143	97.8 Å²	97.8	56%	0.561	49%	0.486	S	S	*	.	S	Bend	trans	-120.4	79.8	-179.4	-60.3	-75.4	0	0	0	110.8	Y24 H25	Y24-Y28 AromaticContact CD2-CD2 3.69Å; Y24-Y28 HydrophobicContact CD2-CD2 3.69Å; Y24-Y28 HydrophobicContact CD2-CE2 4.09Å; Y24-Y28 AromaticContact CE2-CD2 3.52Å; Y24-Y28 HydrophobicContact CE2-CD2 3.52Å; Y24-Y28 AromaticContact CE2-CE2 3.9Å; Y24-Y28 HydrophobicContact CE2-CE2 3.9Å; Y24-Y28 HydrophobicContact CE2-CG 4.33Å; Y24-Y28 HydrophobicContact CG-CD2 4.31Å; Y24-Y28 WeakPolarHBondContact O-CB 3.45Å; Y24-Y28 WeakPolarHBondContact O-CD2 3.41Å; Y24-Y28 PolarHBondContact O-N 2.9Å; H25-Y28 CarbonylContact O-C 3.56Å
29	P	81.7	Confident	76.6	Confident	31 Å²	31	103.2 Å²	103.2	20%	0.201	51%	0.506	C	S	.	.	P	Polyproline II helix	trans	-63.9	143	178.1	24.8	-32.1	0	0	0	111.3	I27 R31 F182 V242	I27-P29 WeakPolarHBondContact O-CD 3.42Å; P29-R31 PolarHBondContact O-N 3.4Å; P29-F182 HydrophobicContact CB-CE1 4.46Å; P29-F182 HydrophobicContact CB-CZ 3.94Å; P29-F182 HydrophobicContact CG-CE1 4.4Å; P29-F182 HydrophobicContact CG-CE2 4.1Å; P29-F182 HydrophobicContact CG-CZ 3.72Å; P29-V242 HydrophobicContact CG-CB 4.48Å; P29-V242 HydrophobicContact CG-CG1 3.91Å
30	E	82.1	Confident	75.8	Confident	105 Å²	105	110.5 Å²	110.5	49%	0.491	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-60.7	124.9	176.3	-67.1	178.8	171	0	0	110.6	K188	E30-K188 IonicContact OE2-NZ 2.85Å; E30-K188 PolarHBondContact OE2-NZ 2.83Å
31	R	83.1	Confident	74.8	Confident	168 Å²	168	106.2 Å²	106.2	63%	0.634	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-75.9	134.9	171.5	-69.8	179.9	179.7	-169.7	-1.8	109.8	P29 V33 F182 P183	P29-R31 PolarHBondContact O-N 3.4Å; R31-V33 PolarHBondContact O-N 3.48Å; R31-F182 HydrophobicContact CG-CD2 4.12Å; R31-F182 HydrophobicContact CG-CE2 3.41Å; R31-F182 VanDerWaalsContact CG-CE2 3.41Å; R31-F182 HydrophobicContact CG-CZ 3.79Å; R31-P183 HydrophobicContact CB-CG 4.5Å
32	C	83.3	Confident	73.5	Confident	15 Å²	15	108.3 Å²	108.3	10%	0.101	52%	0.516	C	S	.	.			trans	-72.1	111.4	174.1	-164.4	0	0	0	0	110.1	C45 P183 V185	C32-C45 HydrophobicContact CB-CB 3.72Å; C32-C45 WeakPolarHBondContact CB-SG 3.44Å; C32-C45 WeakPolarHBondContact SG-CA 3.27Å; C32-C45 WeakPolarHBondContact SG-CB 3.45Å; C32-C45 CovalentContact SG-SG 2.03Å; C32-C45 PolarHBondContact SG-SG 3.05Å; C32-P183 HydrophobicContact CB-CB 4.17Å; C32-P183 WeakPolarHBondContact CB-O 3.39Å; C32-P183 PolarHBondContact N-O 2.99Å; C32-V185 HydrophobicContact CB-CG2 3.75Å
33	V	79.5	Confident	72.7	Confident	118 Å²	118	108.8 Å²	108.8	72%	0.715	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-97.1	118.9	173	-174.8	0	0	0	0	108.3	R31 R35	R31-V33 PolarHBondContact O-N 3.48Å; V33-R35 PolarHBondContact O-N 3.11Å
34	P	70.5	Confident	72.5	Confident	54 Å²	54	105.9 Å²	105.9	35%	0.351	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-64.7	123.2	176.5	26.1	-31.9	0	0	0	109.3	P36 P41	P34-P36 WeakPolarHBondContact O-CD 3.49Å; P34-P41 HydrophobicContact CB-CB 4.05Å
35	R	66.9	Low	72.6	Confident	200 Å²	200	99.8 Å²	99.8	76%	0.755	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-68.7	122.2	173.5	-75.4	-175.2	-178.1	166.4	0.1	109.4	V33 G37 T38	V33-R35 PolarHBondContact O-N 3.11Å; R35-G37 PolarHBondContact O-N 2.87Å; R35-T38 HydrophobicContact CB-CG2 4.29Å; R35-T38 PolarHBondContact O-N 2.77Å; R35-T38 PolarHBondContact O-OG1 3.28Å
36	P	62.2	Low	72.8	Confident	137 Å²	137	97.8 Å²	97.8	89%	0.89	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	126.6	174.5	24.2	-30.8	0	0	0	109.2	P34	P34-P36 WeakPolarHBondContact O-CD 3.49Å
37	G	64.8	Low	73.1	Confident	83 Å²	83	99.8 Å²	99.8	86%	0.856	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.7	-2.4	178.1	0	0	0	0	0	116.7	R35	R35-G37 PolarHBondContact O-N 2.87Å
38	T	65	Low	73.4	Confident	72 Å²	72	96.4 Å²	96.4	44%	0.442	47%	0.472	S	S	.	.			trans	-77.2	133.5	170.7	43.8	0	0	0	0	111.2	R35 R40 P41	R35-T38 HydrophobicContact CB-CG2 4.29Å; R35-T38 PolarHBondContact O-N 2.77Å; R35-T38 PolarHBondContact O-OG1 3.28Å; T38-R40 PolarHBondContact O-N 3.31Å; T38-P41 WeakPolarHBondContact O-CD 3.39Å
39	R	58.5	Low	73.6	Confident	255 Å²	255	89.7 Å²	89.7	96%	0.962	45%	0.445	S	S	*	.	S	Bend	trans	-61.5	-16.5	-175.3	-78.7	-173.5	-177.8	176.4	0.8	114.7
40	R	62.4	Low	73.6	Confident	179 Å²	179	89.6 Å²	89.6	68%	0.675	44%	0.443	S	S	*	.			trans	-148.1	72.7	-179.6	-61.1	-170	-176.8	-176.3	-1.7	111.4	T38 W42 I43	T38-R40 PolarHBondContact O-N 3.31Å; R40-W42 PolarHBondContact O-N 3.33Å; R40-I43 HydrophobicContact CB-CB 4.49Å; R40-I43 HydrophobicContact CB-CD1 3.79Å; R40-I43 HydrophobicContact CB-CG1 4.07Å; R40-I43 HydrophobicContact CG-CD1 4.17Å; R40-I43 PolarHBondContact O-N 2.77Å
41	P	59.5	Low	73.6	Confident	29 Å²	29	88.1 Å²	88.1	19%	0.188	44%	0.436	C	S	.	.	H	α-helix	trans	-65.2	-27.5	-175.8	26.5	-31.9	0	0	0	112.5	P34 T38 I43 A44	P34-P41 HydrophobicContact CB-CB 4.05Å; T38-P41 WeakPolarHBondContact O-CD 3.39Å; P41-I43 VanDerWaalsContact C-N 3.3Å; P41-I43 PolarHBondContact O-N 2.83Å; P41-A44 PolarHBondContact O-N 3.18Å
42	W	58.5	Low	73.5	Confident	179 Å²	179	83.7 Å²	83.7	68%	0.678	42%	0.422	S	S	*	.	H	α-helix	trans	-66.7	-26.6	-178.9	-23.3	100.5	0	0	0	113.7	R40 C45	R40-W42 PolarHBondContact O-N 3.33Å; W42-C45 VanDerWaalsContact O-O 3.13Å
43	I	64.6	Low	72.9	Confident	109 Å²	109	90.1 Å²	90.1	56%	0.559	46%	0.455	S	S	*	.	H	α-helix	trans	-78	-27	-177.4	-61.9	-178.2	0	0	0	111.1	R40 P41 S186	R40-I43 HydrophobicContact CB-CB 4.49Å; R40-I43 HydrophobicContact CB-CD1 3.79Å; R40-I43 HydrophobicContact CB-CG1 4.07Å; R40-I43 HydrophobicContact CG-CD1 4.17Å; R40-I43 PolarHBondContact O-N 2.77Å; P41-I43 VanDerWaalsContact C-N 3.3Å; P41-I43 PolarHBondContact O-N 2.83Å; I43-S186 PolarHBondContact O-OG 3.36Å
44	A	73.9	Confident	72.4	Confident	56 Å²	56	91.2 Å²	91.2	46%	0.463	46%	0.457	S	S	.	.	H	α-helix	trans	-82.4	-29.8	-178.1	0	0	0	0	0	113	P41 S186	P41-A44 PolarHBondContact O-N 3.18Å; A44-S186 PolarHBondContact O-N 2.78Å; A44-S186 PolarHBondContact O-OG 3.09Å
45	C	83.9	Confident	72.4	Confident	7 Å²	7	90 Å²	90	5%	0.047	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	116.2	-176.5	-58.9	0	0	0	0	111.3	C32 W42 R47 F184	C32-C45 HydrophobicContact CB-CB 3.72Å; C32-C45 WeakPolarHBondContact CB-SG 3.44Å; C32-C45 WeakPolarHBondContact SG-CA 3.27Å; C32-C45 WeakPolarHBondContact SG-CB 3.45Å; C32-C45 CovalentContact SG-SG 2.03Å; C32-C45 PolarHBondContact SG-SG 3.05Å; W42-C45 VanDerWaalsContact O-O 3.13Å; C45-R47 PolarHBondContact O-N 3.3Å; C45-F184 CarbonylContact C-O 3.54Å; C45-F184 VanDerWaalsContact CA-O 3.28Å; C45-F184 WeakPolarHBondContact CA-O 3.49Å
46	L	86.2	Confident	72.5	Confident	13 Å²	13	83.9 Å²	83.9	7%	0.068	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	112.7	171.1	175.8	65.7	0	0	0	109.1	F184 S186 V189 M197 Y199 D203 Y205	L46-F184 HydrophobicContact CB-CB 4.27Å; L46-F184 PolarHBondContact N-O 3.28Å; L46-F184 PolarHBondContact O-N 2.93Å; L46-S186 PolarHBondContact N-OG 2.8Å; L46-V189 HydrophobicContact CD2-CG2 4.19Å; L46-M197 HydrophobicContact CD2-SD 4.17Å; L46-Y199 HydrophobicContact CD1-CD1 4.05Å; L46-Y199 HydrophobicContact CD1-CE1 3.74Å; L46-Y199 HydrophobicContact CD2-CE1 3.74Å; L46-Y199 HydrophobicContact CG-CE1 4.39Å; L46-D203 WeakPolarHBondContact CD1-O 3.26Å; L46-Y205 HydrophobicContact CD1-CD1 4.26Å; L46-Y205 HydrophobicContact CD2-CD1 4.17Å; L46-Y205 HydrophobicContact CG-CD1 3.75Å; L46-Y205 HydrophobicContact CG-CE1 4.49Å
47	R	86.8	Confident	73.3	Confident	71 Å²	71	83.5 Å²	83.5	27%	0.268	42%	0.422	S	S	.	.			trans	-100.6	156	-177	-66.9	-170.9	179.4	-164.3	1.6	112.6	C45 E51 R204 Y205	C45-R47 PolarHBondContact O-N 3.3Å; R47-E51 WeakPolarHBondContact CD-OE1 3.48Å; R47-E51 WeakPolarHBondContact CD-OE2 3.16Å; R47-E51 IonicContact NH1-OE2 3.56Å; R47-R204 WeakPolarHBondContact O-CA 3.48Å; R47-R204 WeakPolarHBondContact O-CB 3.09Å; R47-Y205 VanDerWaalsContact C-CD1 3.41Å; R47-Y205 WeakPolarHBondContact O-CD1 3.35Å; R47-Y205 PolarHBondContact O-N 3.33Å
48	S	86.3	Confident	74.4	Confident	0 Å²	0	79.7 Å²	79.7	0%	0	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-82.9	149.6	177.3	-162.3	0	0	0	0	111.3	L50 R204 Y205	S48-L50 WeakPolarHBondContact OG-CB 3.32Å; S48-L50 PolarHBondContact OG-N 3Å; S48-R204 PolarHBondContact O-NH1 2.88Å; S48-Y205 VanDerWaalsContact CA-CE1 3.48Å; S48-Y205 WeakPolarHBondContact CA-O 3.43Å; S48-Y205 VanDerWaalsContact CB-CZ 3.47Å; S48-Y205 WeakPolarHBondContact CB-OH 3.27Å; S48-Y205 VanDerWaalsContact N-CE1 3.27Å; S48-Y205 PolarHBondContact OG-O 2.77Å
49	E	85.2	Confident	75.5	Confident	2 Å²	2	76.3 Å²	76.3	1%	0.009	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-73.9	-16.2	167.7	-153.9	70.1	-161.9	0	0	111.8	E51 F52 Y55 R202 R204 Y205 Y206	E49-E51 PolarHBondContact O-N 2.83Å; E49-F52 HydrophobicContact CG-CD2 4.19Å; E49-F52 WeakPolarHBondContact O-CD2 3.23Å; E49-F52 PolarHBondContact O-N 2.87Å; E49-F52 VanDerWaalsContact O-N 3.09Å; E49-F52 WeakPolarHBondContact OE1-CD2 3.35Å; E49-F52 WeakPolarHBondContact OE1-CE2 3.06Å; E49-Y55 HydrophobicContact CB-CE1 4.16Å; E49-Y55 HydrophobicContact CB-CE2 4.15Å; E49-Y55 HydrophobicContact CG-CD2 4.17Å; E49-Y55 HydrophobicContact CG-CE1 3.9Å; E49-Y55 HydrophobicContact CG-CE2 3.32Å; E49-Y55 WeakPolarHBondContact CG-OH 3.49Å; E49-Y55 WeakPolarHBondContact O-CD2 3.33Å; E49-R202 IonicContact OE1-CZ 3.13Å; E49-R202 IonicContact OE1-NH1 3.66Å; E49-R202 PolarHBondContact OE1-NH1 2.99Å; E49-R204 WeakPolarHBondContact OE2-CB 3.35Å; E49-R204 WeakPolarHBondContact OE2-CD 3.45Å; E49-Y205 PolarHBondContact N-O 2.86Å; E49-Y206 HydrophobicContact CB-CD1 4.4Å; E49-Y206 HydrophobicContact CG-CE1 4.5Å
50	L	82.6	Confident	77	Confident	29 Å²	29	64.1 Å²	64.1	15%	0.152	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-59.5	-14.2	171.3	-75.8	166.6	0	0	0	114.4	S48 F52 V178 P181 P207	S48-L50 WeakPolarHBondContact OG-CB 3.32Å; S48-L50 PolarHBondContact OG-N 3Å; L50-F52 PolarHBondContact O-N 3.15Å; L50-V178 WeakPolarHBondContact CD1-O 3.36Å; L50-P181 HydrophobicContact CB-CB 4.34Å; L50-P207 HydrophobicContact CD1-CB 3.93Å; L50-P207 HydrophobicContact CD1-CG 4.12Å; L50-P207 HydrophobicContact CD2-CB 4.28Å; L50-P207 HydrophobicContact CD2-CG 3.74Å; L50-P207 HydrophobicContact CG-CB 4.14Å; L50-P207 HydrophobicContact CG-CG 3.75Å
51	E	81.6	Confident	78.4	Confident	75 Å²	75	56 Å²	56	35%	0.35	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-66.9	-18.1	173.9	-69.5	-179.4	176.9	0	0	112.6	R47 E49 P181 R204	R47-E51 WeakPolarHBondContact CD-OE1 3.48Å; R47-E51 WeakPolarHBondContact CD-OE2 3.16Å; R47-E51 IonicContact NH1-OE2 3.56Å; E49-E51 PolarHBondContact O-N 2.83Å; E51-P181 HydrophobicContact CG-CB 3.88Å; E51-R204 IonicContact OE2-CZ 2.99Å; E51-R204 IonicContact OE2-NH1 3.75Å; E51-R204 PolarHBondContact OE2-NH1 2.86Å; E51-R204 IonicContact OE2-NH2 2.71Å
52	F	80.3	Confident	79.8	Confident	74 Å²	74	54.7 Å²	54.7	33%	0.325	28%	0.276	S	S	.	.	S	Bend	trans	-93.5	137.7	177	-61.9	-75	0	0	0	110.9	E49 L50 D54 Y55	E49-F52 HydrophobicContact CG-CD2 4.19Å; E49-F52 WeakPolarHBondContact O-CD2 3.23Å; E49-F52 PolarHBondContact O-N 2.87Å; E49-F52 VanDerWaalsContact O-N 3.09Å; E49-F52 WeakPolarHBondContact OE1-CD2 3.35Å; E49-F52 WeakPolarHBondContact OE1-CE2 3.06Å; L50-F52 PolarHBondContact O-N 3.15Å; F52-D54 PolarHBondContact O-N 2.79Å; F52-Y55 HydrophobicContact CB-CD2 4.12Å; F52-Y55 HydrophobicContact CB-CE2 4.35Å; F52-Y55 PolarHBondContact O-N 2.73Å; F52-Y55 VanDerWaalsContact O-N 3.14Å
53	D	71.6	Confident	81.3	Confident	150 Å²	150	46.7 Å²	46.7	80%	0.802	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-60.4	-21.1	-178.1	-68.6	-32.1	0	0	0	113.7	Y55 A56	D53-Y55 PolarHBondContact O-N 2.98Å; D53-A56 VanDerWaalsContact O-CB 3.28Å; D53-A56 WeakPolarHBondContact O-CB 3.38Å; D53-A56 PolarHBondContact O-N 3.05Å
54	D	68.4	Low	82.5	Confident	141 Å²	141	41.6 Å²	41.6	75%	0.754	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-58.6	-19.6	176.5	-66.1	-22.6	0	0	0	113.2	F52	F52-D54 PolarHBondContact O-N 2.79Å
55	Y	71.2	Confident	83.2	Confident	30 Å²	30	39 Å²	39	12%	0.118	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-93.6	2.7	-178.8	-66.9	-97.4	0	0	0	113.6	E49 F52 D53 K57 L58 W127 Y206	E49-Y55 HydrophobicContact CB-CE1 4.16Å; E49-Y55 HydrophobicContact CB-CE2 4.15Å; E49-Y55 HydrophobicContact CG-CD2 4.17Å; E49-Y55 HydrophobicContact CG-CE1 3.9Å; E49-Y55 HydrophobicContact CG-CE2 3.32Å; E49-Y55 WeakPolarHBondContact CG-OH 3.49Å; E49-Y55 WeakPolarHBondContact O-CD2 3.33Å; F52-Y55 HydrophobicContact CB-CD2 4.12Å; F52-Y55 HydrophobicContact CB-CE2 4.35Å; F52-Y55 PolarHBondContact O-N 2.73Å; F52-Y55 VanDerWaalsContact O-N 3.14Å; D53-Y55 PolarHBondContact O-N 2.98Å; Y55-K57 PolarHBondContact O-N 3.06Å; Y55-L58 HydrophobicContact CD1-CD2 4.37Å; Y55-W127 HydrophobicContact CD1-CH2 4.2Å; Y55-W127 AromaticContact CD1-CZ2 3.68Å; Y55-W127 HydrophobicContact CD1-CZ2 3.68Å; Y55-W127 AromaticContact CE1-CE2 3.67Å; Y55-W127 HydrophobicContact CE1-CH2 4.08Å; Y55-W127 AromaticContact CE1-CZ2 3.29Å; Y55-W127 HydrophobicContact CE1-CZ2 3.29Å; Y55-W127 AromaticContact CE1-NE1 3.83Å; Y55-Y206 HydrophobicContact CE1-CD1 4.02Å; Y55-Y206 HydrophobicContact CE1-CE1 4.08Å
56	A	69.6	Low	83.2	Confident	70 Å²	70	40.5 Å²	40.5	58%	0.579	20%	0.204	S	C	*	.	S	Bend	trans	-66.4	-24.4	177.7	0	0	0	0	0	113.2	D53	D53-A56 VanDerWaalsContact O-CB 3.28Å; D53-A56 WeakPolarHBondContact O-CB 3.38Å; D53-A56 PolarHBondContact O-N 3.05Å
57	K	79.1	Confident	83	Confident	129 Å²	129	42.4 Å²	42.4	56%	0.561	22%	0.219	S	C	*	.	S	Bend	trans	-125.5	100.4	-178.3	-64.7	179.1	-177.7	178.4	0	110.5	Y55 Q116	Y55-K57 PolarHBondContact O-N 3.06Å; K57-Q116 HydrophobicContact CB-CG 4.31Å; K57-Q116 WeakPolarHBondContact O-CG 3.3Å
58	L	86.4	Confident	82.7	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.016	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	170.9	175.2	-59.4	176.9	0	0	0	110.9	Y55 N82 F83 M85 V113 Q116 W127 P207	Y55-L58 HydrophobicContact CD1-CD2 4.37Å; L58-N82 CarbonylContact O-C 3.53Å; L58-N82 PolarHBondContact O-N 3.32Å; L58-F83 PolarHBondContact N-O 2.85Å; L58-F83 WeakPolarHBondContact O-CB 3.38Å; L58-F83 PolarHBondContact O-N 3.05Å; L58-M85 HydrophobicContact CD1-CE 3.57Å; L58-M85 HydrophobicContact CD1-CG 4Å; L58-M85 HydrophobicContact CD1-SD 4.37Å; L58-V113 HydrophobicContact CB-CG1 4.16Å; L58-V113 HydrophobicContact CD1-CG1 3.83Å; L58-Q116 PolarHBondContact O-NE2 3.09Å; L58-W127 HydrophobicContact CD1-CH2 4.46Å; L58-W127 HydrophobicContact CD2-CH2 3.65Å; L58-W127 HydrophobicContact CD2-CZ2 3.74Å; L58-P207 HydrophobicContact CD1-CG 4.43Å
59	Q	89.2	Confident	82.3	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130.8	170	-74.5	179.4	-28.6	0	0	109.3	V80 D81 V113 L114 P115 Q116 V117	Q59-V80 WeakPolarHBondContact CA-O 3.29Å; Q59-D81 PolarHBondContact NE2-OD1 2.75Å; Q59-V113 WeakPolarHBondContact O-CA 3.28Å; Q59-L114 HydrophobicContact CB-CD1 4.05Å; Q59-L114 HydrophobicContact CB-CG 4.07Å; Q59-L114 PolarHBondContact N-O 2.9Å; Q59-L114 PolarHBondContact O-N 2.75Å; Q59-L114 VanDerWaalsContact OE1-CD1 3.31Å; Q59-P115 PolarHBondContact OE1-O 3.43Å; Q59-Q116 VanDerWaalsContact CG-CD 3.49Å; Q59-Q116 HydrophobicContact CG-CG 4.32Å; Q59-V117 PolarHBondContact OE1-O 2.93Å
60	L	90.1	Very high	81.4	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	118.2	169.9	178.7	67.7	0	0	0	108.6	V80 F83 V113 L175 F209 L235	L60-V80 HydrophobicContact CB-CB 4.37Å; L60-V80 PolarHBondContact N-O 2.98Å; L60-V80 VanDerWaalsContact N-O 3.09Å; L60-V80 PolarHBondContact O-N 3.4Å; L60-F83 HydrophobicContact CB-CB 4.19Å; L60-F83 HydrophobicContact CB-CD1 4.06Å; L60-F83 HydrophobicContact CB-CD2 4.11Å; L60-F83 HydrophobicContact CB-CE1 4.45Å; L60-F83 HydrophobicContact CB-CG 3.85Å; L60-F83 HydrophobicContact CD2-CD2 4.29Å; L60-F83 HydrophobicContact CD2-CE2 3.97Å; L60-F83 HydrophobicContact CD2-CZ 4.15Å; L60-V113 HydrophobicContact CD1-CG2 3.92Å; L60-L175 HydrophobicContact CD1-CD1 4.23Å; L60-L175 HydrophobicContact CD2-CD1 4.28Å; L60-F209 HydrophobicContact CD1-CE2 4.47Å; L60-F209 HydrophobicContact CD1-CZ 4.15Å; L60-L235 HydrophobicContact CD2-CD2 4.43Å
61	R	90.6	Very high	80.6	Confident	7 Å²	7	55.5 Å²	55.5	3%	0.026	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	132.4	177.5	-63.1	-170.2	-177.8	167	3.5	111.1	Y63 L78 H79 F112 L114 V117 E119	R61-Y63 HydrophobicContact CB-CD2 4.4Å; R61-Y63 HydrophobicContact CB-CE2 3.61Å; R61-Y63 WeakPolarHBondContact CD-OH 3.41Å; R61-L78 WeakPolarHBondContact CA-O 3.38Å; R61-H79 PolarHBondContact NE-CD2 3.23Å; R61-H79 PolarHBondContact NE-NE2 3.21Å; R61-H79 PolarHBondContact NH2-NE2 3.11Å; R61-F112 HydrophobicContact CB-CB 4.48Å; R61-F112 PolarHBondContact N-O 3.17Å; R61-F112 PolarHBondContact O-N 2.92Å; R61-L114 HydrophobicContact CB-CD2 4.26Å; R61-L114 HydrophobicContact CG-CD2 4.14Å; R61-V117 PolarHBondContact NH2-O 2.75Å; R61-E119 PolarHBondContact NH1-O 3.28Å
62	I	90.7	Very high	79.9	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.015	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.1	178.4	-57.3	-177.4	0	0	0	109.3	I77 L78 L109 H110 A111 L175 L235	I62-I77 PolarHBondContact O-N 3.47Å; I62-L78 HydrophobicContact CB-CB 4.17Å; I62-L78 HydrophobicContact CD1-CD2 4.18Å; I62-L78 HydrophobicContact CG1-CB 4.44Å; I62-L78 PolarHBondContact N-O 3.02Å; I62-L78 PolarHBondContact O-N 2.97Å; I62-L109 HydrophobicContact CG2-CD1 3.83Å; I62-L109 HydrophobicContact CG2-CD2 3.93Å; I62-L109 HydrophobicContact CG2-CG 3.68Å; I62-H110 WeakPolarHBondContact CA-O 3.4Å; I62-A111 HydrophobicContact CG1-CB 4.27Å; I62-L175 HydrophobicContact CD1-CD1 4.1Å; I62-L235 HydrophobicContact CD1-CD1 3.45Å; I62-L235 VanDerWaalsContact CD1-CD1 3.45Å; I62-L235 HydrophobicContact CD1-CD2 3.33Å; I62-L235 HydrophobicContact CD1-CG 4Å
63	Y	90	Very high	79.5	Confident	10 Å²	10	54 Å²	54	4%	0.039	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	154.8	177.9	-61.9	-93	0	0	0	110.5	R61 L73 S75 Q76 H110 F112 S120 P122	R61-Y63 HydrophobicContact CB-CD2 4.4Å; R61-Y63 HydrophobicContact CB-CE2 3.61Å; R61-Y63 WeakPolarHBondContact CD-OH 3.41Å; Y63-L73 HydrophobicContact CD1-CB 4.13Å; Y63-L73 HydrophobicContact CD1-CD1 4.31Å; Y63-L73 HydrophobicContact CD2-CD1 4.2Å; Y63-L73 HydrophobicContact CE1-CD1 4.5Å; Y63-L73 HydrophobicContact CE2-CD1 4.38Å; Y63-L73 HydrophobicContact CG-CB 4.38Å; Y63-L73 HydrophobicContact CG-CD1 4.17Å; Y63-L73 HydrophobicContact CG-CD2 4.12Å; Y63-L73 HydrophobicContact CG-CG 4.44Å; Y63-S75 WeakPolarHBondContact CA-O 3.03Å; Y63-Q76 HydrophobicContact CD1-CB 3.85Å; Y63-Q76 HydrophobicContact CD1-CG 4.26Å; Y63-Q76 HydrophobicContact CE1-CB 3.55Å; Y63-Q76 HydrophobicContact CE1-CG 3.73Å; Y63-Q76 PolarHBondContact OH-OE1 3.35Å; Y63-H110 PolarHBondContact N-O 3.3Å; Y63-H110 PolarHBondContact O-N 2.65Å; Y63-F112 AromaticContact CD2-CD2 3.61Å; Y63-F112 HydrophobicContact CD2-CD2 3.61Å; Y63-F112 AromaticContact CD2-CE2 3.69Å; Y63-F112 HydrophobicContact CD2-CE2 3.69Å; Y63-F112 AromaticContact CE2-CD2 3.97Å; Y63-F112 HydrophobicContact CE2-CD2 3.97Å; Y63-F112 HydrophobicContact CE2-CE2 4.27Å; Y63-S120 PolarHBondContact OH-O 2.84Å; Y63-P122 HydrophobicContact CD2-CG 4.47Å; Y63-P122 HydrophobicContact CE2-CB 4.33Å; Y63-P122 HydrophobicContact CE2-CG 3.76Å
64	T	89.5	Confident	79.3	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.012	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	145.5	164.2	38.6	0	0	0	0	112.3	R74 S75 I77 V95 L107 W108	T64-R74 PolarHBondContact O-N 3.36Å; T64-S75 PolarHBondContact N-O 3.23Å; T64-S75 VanDerWaalsContact N-O 3.08Å; T64-S75 PolarHBondContact OG1-OG 3.09Å; T64-I77 HydrophobicContact CG2-CD1 3.22Å; T64-I77 HydrophobicContact CG2-CG1 4.49Å; T64-I77 WeakPolarHBondContact OG1-CD1 3.46Å; T64-V95 HydrophobicContact CG2-CG1 4.1Å; T64-L107 HydrophobicContact CG2-CD2 3.77Å; T64-L107 HydrophobicContact CG2-CG 4.01Å; T64-W108 VanDerWaalsContact CA-O 3.29Å; T64-W108 WeakPolarHBondContact CA-O 3.48Å; T64-W108 WeakPolarHBondContact CG2-O 3.4Å
65	S	88.7	Confident	79.6	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.007	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	162.6	170.5	74.6	0	0	0	0	110.8	S67 T72 L107 W108 H110	S65-S67 PolarHBondContact OG-O 3.45Å; S65-T72 WeakPolarHBondContact CB-O 3.42Å; S65-L107 WeakPolarHBondContact O-CD1 3.48Å; S65-W108 PolarHBondContact N-O 2.65Å; S65-W108 PolarHBondContact O-N 3.42Å; S65-H110 PolarHBondContact OG-CD2 2.99Å; S65-H110 VanDerWaalsContact OG-CD2 3.3Å; S65-H110 PolarHBondContact OG-NE2 2.82Å
66	Q	83.9	Confident	80.1	Confident	39 Å²	39	53.2 Å²	53.2	18%	0.182	27%	0.271	C	S	.	.	S	Bend	trans	-89.2	-10.9	176.1	-66.6	169.6	21.1	0	0	112.7	P98 L107	Q66-P98 HydrophobicContact CG-CG 4.29Å; Q66-L107 HydrophobicContact CG-CD1 4.41Å
67	S	82.2	Confident	80.8	Confident	53 Å²	53	51 Å²	51	37%	0.371	25%	0.25	S	C	.	.	S	Bend	trans	-118.8	149.7	-178.7	-179.4	0	0	0	0	110.5	S65 S69	S65-S67 PolarHBondContact OG-O 3.45Å; S67-S69 PolarHBondContact O-N 2.69Å; S67-S69 PolarHBondContact OG-N 3.43Å
68	V	80.7	Confident	81.1	Confident	82 Å²	82	45.5 Å²	45.5	50%	0.497	23%	0.226	S	C	.	.	S	Bend	trans	-55.7	-33.9	168.6	-175.8	0	0	0	0	110.5	S70 W108 H110	V68-S70 PolarHBondContact O-N 3.45Å; V68-S70 VanDerWaalsContact O-N 3.09Å; V68-W108 HydrophobicContact CG2-CD2 4.04Å; V68-W108 VanDerWaalsContact CG2-CE2 3.5Å; V68-W108 HydrophobicContact CG2-CE3 4.31Å; V68-W108 HydrophobicContact CG2-CH2 3.65Å; V68-W108 HydrophobicContact CG2-CZ2 3.33Å; V68-W108 HydrophobicContact CG2-CZ3 4.13Å; V68-H110 PolarHBondContact O-CE1 3.24Å
69	S	76	Confident	81.2	Confident	54 Å²	54	48.5 Å²	48.5	38%	0.378	24%	0.24	S	C	.	.			trans	-68.3	111.6	178.6	-169.1	0	0	0	0	110.2	S67 R71 T72	S67-S69 PolarHBondContact O-N 2.69Å; S67-S69 PolarHBondContact OG-N 3.43Å; S69-R71 PolarHBondContact O-N 2.65Å; S69-R71 VanDerWaalsContact O-N 3.11Å; S69-T72 PolarHBondContact O-N 3.27Å; S69-T72 PolarHBondContact O-OG1 2.84Å
70	S	66.8	Low	81.2	Confident	20 Å²	20	49.7 Å²	49.7	14%	0.14	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-66.2	-6.6	177.7	59	0	0	0	0	113	V68 T72 L73 F123	V68-S70 PolarHBondContact O-N 3.45Å; V68-S70 VanDerWaalsContact O-N 3.09Å; S70-T72 PolarHBondContact O-N 2.94Å; S70-T72 VanDerWaalsContact O-N 3.16Å; S70-L73 VanDerWaalsContact O-CD2 3.26Å; S70-L73 WeakPolarHBondContact O-CD2 3.43Å; S70-L73 WeakPolarHBondContact O-CG 3.42Å; S70-F123 VanDerWaalsContact O-CE2 3.3Å; S70-F123 WeakPolarHBondContact O-CE2 3.11Å; S70-F123 VanDerWaalsContact OG-CZ 3.32Å; S70-F123 WeakPolarHBondContact OG-CZ 3.11Å
71	R	65.6	Low	80.8	Confident	221 Å²	221	53.6 Å²	53.6	83%	0.834	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-63.1	-18.8	175.3	-65	-174.7	179.3	-170.7	-0.4	114	S69	S69-R71 PolarHBondContact O-N 2.65Å; S69-R71 VanDerWaalsContact O-N 3.11Å
72	T	67.4	Low	80.5	Confident	77 Å²	77	58 Å²	58	47%	0.472	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-112	57	-179.6	55.7	0	0	0	0	111.4	S65 S69 S70 R74	S65-T72 WeakPolarHBondContact CB-O 3.42Å; S69-T72 PolarHBondContact O-N 3.27Å; S69-T72 PolarHBondContact O-OG1 2.84Å; S70-T72 PolarHBondContact O-N 2.94Å; S70-T72 VanDerWaalsContact O-N 3.16Å; T72-R74 PolarHBondContact O-N 3.17Å
73	L	71.4	Confident	80.2	Confident	41 Å²	41	58 Å²	58	22%	0.215	29%	0.292	C	S	.	.			trans	-64.1	118.7	171	-55.4	178	0	0	0	108.3	Y63 S70 H110 F112 P122 F123	Y63-L73 HydrophobicContact CD1-CB 4.13Å; Y63-L73 HydrophobicContact CD1-CD1 4.31Å; Y63-L73 HydrophobicContact CD2-CD1 4.2Å; Y63-L73 HydrophobicContact CE1-CD1 4.5Å; Y63-L73 HydrophobicContact CE2-CD1 4.38Å; Y63-L73 HydrophobicContact CG-CB 4.38Å; Y63-L73 HydrophobicContact CG-CD1 4.17Å; Y63-L73 HydrophobicContact CG-CD2 4.12Å; Y63-L73 HydrophobicContact CG-CG 4.44Å; S70-L73 VanDerWaalsContact O-CD2 3.26Å; S70-L73 WeakPolarHBondContact O-CD2 3.43Å; S70-L73 WeakPolarHBondContact O-CG 3.42Å; L73-H110 HydrophobicContact CD2-CB 4.46Å; L73-F112 HydrophobicContact CD1-CE2 4.15Å; L73-F112 HydrophobicContact CD1-CZ 4.13Å; L73-F112 HydrophobicContact CD2-CE2 3.97Å; L73-F112 HydrophobicContact CD2-CZ 4.16Å; L73-P122 HydrophobicContact CD1-CG 3.4Å; L73-P122 VanDerWaalsContact CD1-CG 3.4Å; L73-F123 HydrophobicContact CD1-CD2 4.33Å; L73-F123 HydrophobicContact CD1-CE2 3.74Å; L73-F123 HydrophobicContact CG-CE2 4.16Å
74	R	67.5	Low	80	Confident	178 Å²	178	59.1 Å²	59.1	67%	0.672	30%	0.301	S	S	*	.			trans	-99.4	-48.2	-178.7	-79.9	-167.6	172.5	-149.2	-4.1	112.8	T64 T72	T64-R74 PolarHBondContact O-N 3.36Å; T72-R74 PolarHBondContact O-N 3.17Å
75	S	74.6	Confident	79.7	Confident	35 Å²	35	59.4 Å²	59.4	25%	0.245	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	122	-171.2	54.3	0	0	0	0	110.2	Y63 T64	Y63-S75 WeakPolarHBondContact CA-O 3.03Å; T64-S75 PolarHBondContact N-O 3.23Å; T64-S75 VanDerWaalsContact N-O 3.08Å; T64-S75 PolarHBondContact OG1-OG 3.09Å
76	Q	82.2	Confident	79.5	Confident	91 Å²	91	65.6 Å²	65.6	43%	0.425	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	121.7	166.3	-168.4	171.9	-64.1	0	0	107.9	Y63 H79	Y63-Q76 HydrophobicContact CD1-CB 3.85Å; Y63-Q76 HydrophobicContact CD1-CG 4.26Å; Y63-Q76 HydrophobicContact CE1-CB 3.55Å; Y63-Q76 HydrophobicContact CE1-CG 3.73Å; Y63-Q76 PolarHBondContact OH-OE1 3.35Å; Q76-H79 VanDerWaalsContact NE2-CB 3.34Å
77	I	83.5	Confident	79.7	Confident	25 Å²	25	70.2 Å²	70.2	13%	0.128	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-45.5	-179.8	-70.2	162.6	0	0	0	109.7	I62 T64 V93 V95	I62-I77 PolarHBondContact O-N 3.47Å; T64-I77 HydrophobicContact CG2-CD1 3.22Å; T64-I77 HydrophobicContact CG2-CG1 4.49Å; T64-I77 WeakPolarHBondContact OG1-CD1 3.46Å; I77-V93 HydrophobicContact CG2-CB 3.9Å; I77-V93 HydrophobicContact CG2-CG1 3.32Å; I77-V93 WeakPolarHBondContact O-CG1 3.48Å; I77-V95 HydrophobicContact CD1-CB 4.44Å; I77-V95 HydrophobicContact CD1-CG1 3.84Å; I77-V95 HydrophobicContact CD1-CG2 3.86Å; I77-V95 HydrophobicContact CG1-CG1 4.42Å; I77-V95 HydrophobicContact CG1-CG2 4.3Å; I77-V95 HydrophobicContact CG2-CG2 3.97Å
78	L	86.8	Confident	80	Confident	12 Å²	12	73.4 Å²	73.4	6%	0.063	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	137.6	-176	-175.9	66.3	0	0	0	110.3	R61 I62 V80 Q91 V93 L235	R61-L78 WeakPolarHBondContact CA-O 3.38Å; I62-L78 HydrophobicContact CB-CB 4.17Å; I62-L78 HydrophobicContact CD1-CD2 4.18Å; I62-L78 HydrophobicContact CG1-CB 4.44Å; I62-L78 PolarHBondContact N-O 3.02Å; I62-L78 PolarHBondContact O-N 2.97Å; L78-V80 HydrophobicContact CD1-CG2 4.08Å; L78-V80 HydrophobicContact CD2-CG2 3.86Å; L78-V80 HydrophobicContact CG-CG2 3.85Å; L78-Q91 VanDerWaalsContact CD1-CD 3.48Å; L78-V93 HydrophobicContact CB-CG2 4.47Å; L78-V93 HydrophobicContact CD1-CG2 4.19Å; L78-V93 HydrophobicContact CD2-CG2 4.48Å; L78-L235 HydrophobicContact CD2-CD2 3.43Å; L78-L235 VanDerWaalsContact CD2-CD2 3.43Å
79	H	88.6	Confident	80.5	Confident	66 Å²	66	71.5 Å²	71.5	31%	0.306	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	117.4	168.7	-176	-158.1	0	0	0	108	R61 Q76 D81	R61-H79 PolarHBondContact NE-CD2 3.23Å; R61-H79 PolarHBondContact NE-NE2 3.21Å; R61-H79 PolarHBondContact NH2-NE2 3.11Å; Q76-H79 VanDerWaalsContact NE2-CB 3.34Å; H79-D81 IonicContact CD2-OD1 2.75Å; H79-D81 IonicContact CE1-OD1 2.83Å; H79-D81 PolarHBondContact CE1-OD1 2.99Å; H79-D81 VanDerWaalsContact CE1-OD1 3.22Å; H79-D81 IonicContact CE1-OD2 3.69Å; H79-D81 IonicContact NE2-OD1 3.58Å; H79-D81 PolarHBondContact NE2-OD1 3.05Å; H79-D81 VanDerWaalsContact NE2-OD1 3.13Å
80	V	87.6	Confident	81.3	Confident	26 Å²	26	75.2 Å²	75.2	16%	0.158	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	113.3	173.5	-171.9	0	0	0	0	108	Q59 L60 L78 F83 M89	Q59-V80 WeakPolarHBondContact CA-O 3.29Å; L60-V80 HydrophobicContact CB-CB 4.37Å; L60-V80 PolarHBondContact N-O 2.98Å; L60-V80 VanDerWaalsContact N-O 3.09Å; L60-V80 PolarHBondContact O-N 3.4Å; L78-V80 HydrophobicContact CD1-CG2 4.08Å; L78-V80 HydrophobicContact CD2-CG2 3.86Å; L78-V80 HydrophobicContact CG-CG2 3.85Å; V80-F83 HydrophobicContact CG1-CB 4.46Å; V80-M89 HydrophobicContact CB-CE 4.28Å; V80-M89 HydrophobicContact CG1-CE 3.74Å; V80-M89 HydrophobicContact CG2-CE 4Å; V80-M89 HydrophobicContact CG2-SD 4.25Å
81	D	83.6	Confident	82.4	Confident	82 Å²	82	77.8 Å²	77.8	44%	0.439	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	145.3	168.8	-66.9	-53.2	0	0	0	110.2	Q59 H79 F83	Q59-D81 PolarHBondContact NE2-OD1 2.75Å; H79-D81 IonicContact CD2-OD1 2.75Å; H79-D81 IonicContact CE1-OD1 2.83Å; H79-D81 PolarHBondContact CE1-OD1 2.99Å; H79-D81 VanDerWaalsContact CE1-OD1 3.22Å; H79-D81 IonicContact CE1-OD2 3.69Å; H79-D81 IonicContact NE2-OD1 3.58Å; H79-D81 PolarHBondContact NE2-OD1 3.05Å; H79-D81 VanDerWaalsContact NE2-OD1 3.13Å; D81-F83 VanDerWaalsContact C-N 3.34Å; D81-F83 PolarHBondContact O-N 3.29Å
82	N	83.4	Confident	83.6	Confident	99 Å²	99	72.6 Å²	72.6	53%	0.529	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	61.4	40.6	178.4	-60.7	-36.7	0	0	0	113	L58 S84 Q116	L58-N82 CarbonylContact O-C 3.53Å; L58-N82 PolarHBondContact O-N 3.32Å; N82-S84 PolarHBondContact O-N 3.07Å; N82-Q116 PolarHBondContact OD1-NE2 3.07Å; N82-Q116 VanDerWaalsContact OD1-NE2 3.15Å
83	F	85.1	Confident	84.7	Confident	5 Å²	5	69.8 Å²	69.8	2%	0.022	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	117.5	174.7	-179.7	-109.1	0	0	0	111	L58 L60 V80 D81 M85 M89 Y237	L58-F83 PolarHBondContact N-O 2.85Å; L58-F83 WeakPolarHBondContact O-CB 3.38Å; L58-F83 PolarHBondContact O-N 3.05Å; L60-F83 HydrophobicContact CB-CB 4.19Å; L60-F83 HydrophobicContact CB-CD1 4.06Å; L60-F83 HydrophobicContact CB-CD2 4.11Å; L60-F83 HydrophobicContact CB-CE1 4.45Å; L60-F83 HydrophobicContact CB-CG 3.85Å; L60-F83 HydrophobicContact CD2-CD2 4.29Å; L60-F83 HydrophobicContact CD2-CE2 3.97Å; L60-F83 HydrophobicContact CD2-CZ 4.15Å; V80-F83 HydrophobicContact CG1-CB 4.46Å; D81-F83 VanDerWaalsContact C-N 3.34Å; D81-F83 PolarHBondContact O-N 3.29Å; F83-M85 HydrophobicContact CE1-CG 4.17Å; F83-M89 HydrophobicContact CD2-CE 3.5Å; F83-M89 HydrophobicContact CE2-CE 3.64Å; F83-Y237 HydrophobicContact CE1-CE1 4.33Å; F83-Y237 HydrophobicContact CE1-CE2 4.11Å; F83-Y237 AromaticContact CE1-CZ 3.98Å; F83-Y237 AromaticContact CE2-CD1 3.81Å; F83-Y237 HydrophobicContact CE2-CD1 3.81Å; F83-Y237 HydrophobicContact CE2-CD2 4.39Å; F83-Y237 HydrophobicContact CE2-CE1 4.08Å; F83-Y237 AromaticContact CE2-CG 3.97Å; F83-Y237 HydrophobicContact CE2-CG 3.97Å; F83-Y237 AromaticContact CZ-CD1 3.55Å; F83-Y237 HydrophobicContact CZ-CD1 3.55Å; F83-Y237 AromaticContact CZ-CD2 3.61Å; F83-Y237 HydrophobicContact CZ-CD2 3.61Å; F83-Y237 AromaticContact CZ-CE1 3.48Å; F83-Y237 HydrophobicContact CZ-CE1 3.48Å; F83-Y237 VanDerWaalsContact CZ-CE1 3.48Å; F83-Y237 AromaticContact CZ-CE2 3.53Å; F83-Y237 HydrophobicContact CZ-CE2 3.53Å; F83-Y237 AromaticContact CZ-CG 3.61Å; F83-Y237 HydrophobicContact CZ-CG 3.61Å; F83-Y237 AromaticContact CZ-CZ 3.46Å; F83-Y237 VanDerWaalsContact CZ-CZ 3.46Å
84	S	85	Confident	85.6	Confident	32 Å²	32	73 Å²	73	22%	0.224	35%	0.347	C	S	.	.			trans	-90.6	133.7	169.2	176.3	0	0	0	0	110.2	N82 Q86	N82-S84 PolarHBondContact O-N 3.07Å; S84-Q86 PolarHBondContact O-N 3.14Å; S84-Q86 PolarHBondContact OG-N 3.07Å
85	M	83.5	Confident	86.6	Confident	9 Å²	9	64.5 Å²	64.5	4%	0.044	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-5.2	175.8	-71.7	-150.2	176.4	0	0	114.4	L58 F83 V113 P207 Y237 P239	L58-M85 HydrophobicContact CD1-CE 3.57Å; L58-M85 HydrophobicContact CD1-CG 4Å; L58-M85 HydrophobicContact CD1-SD 4.37Å; F83-M85 HydrophobicContact CE1-CG 4.17Å; M85-V113 HydrophobicContact CE-CB 4.38Å; M85-V113 HydrophobicContact CE-CG1 3.62Å; M85-V113 HydrophobicContact CE-CG2 4.33Å; M85-P207 HydrophobicContact CE-CB 3.44Å; M85-P207 VanDerWaalsContact CE-CB 3.44Å; M85-P207 HydrophobicContact CE-CG 3.98Å; M85-P207 HydrophobicContact SD-CB 3.51Å; M85-P207 VanDerWaalsContact SD-CB 3.51Å; M85-P207 HydrophobicContact SD-CG 4.3Å; M85-Y237 WeakPolarHBondContact CA-OH 3.43Å; M85-Y237 WeakPolarHBondContact CB-OH 3.1Å; M85-Y237 PolarHBondContact O-OH 2.89Å; M85-P239 WeakPolarHBondContact O-CB 3.49Å
86	Q	84.4	Confident	87.2	Confident	130 Å²	130	65.9 Å²	65.9	61%	0.607	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-14	-176.2	-64.7	179.3	-4.8	0	0	112.6	S84 G179 P239	S84-Q86 PolarHBondContact O-N 3.14Å; S84-Q86 PolarHBondContact OG-N 3.07Å; Q86-G179 PolarHBondContact NE2-O 2.96Å; Q86-G179 VanDerWaalsContact NE2-O 3.17Å; Q86-P239 WeakPolarHBondContact O-CG 3.34Å
87	E	87.1	Confident	87.4	Confident	136 Å²	136	61.9 Å²	61.9	64%	0.636	30%	0.304	S	S	*	.	S	Bend	trans	-98.7	140.9	-175.3	-66.9	-177.2	177.5	0	0	111.5	Y237	E87-Y237 WeakPolarHBondContact O-CD1 3.38Å; E87-Y237 VanDerWaalsContact O-CE1 3.27Å; E87-Y237 WeakPolarHBondContact O-CE1 3.28Å
88	Y	89.7	Confident	87.5	Confident	121 Å²	121	62.1 Å²	62.1	48%	0.475	31%	0.308	S	S	.	.			trans	-74.5	136.9	169.9	171.9	-94	0	0	0	110.3	K90 M236 Y237	Y88-K90 HydrophobicContact CE1-CB 3.91Å; Y88-M236 HydrophobicContact CE2-CE 4.34Å; Y88-M236 WeakPolarHBondContact OH-CE 3.38Å; Y88-Y237 WeakPolarHBondContact CA-O 3.32Å; Y88-Y237 WeakPolarHBondContact CD2-O 3.49Å
89	M	90.2	Very high	87.4	Confident	41 Å²	41	64.2 Å²	64.2	20%	0.202	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	137.6	176.1	177.9	-156	-67.8	0	0	110.3	V80 F83 M236 Y237	V80-M89 HydrophobicContact CB-CE 4.28Å; V80-M89 HydrophobicContact CG1-CE 3.74Å; V80-M89 HydrophobicContact CG2-CE 4Å; V80-M89 HydrophobicContact CG2-SD 4.25Å; F83-M89 HydrophobicContact CD2-CE 3.5Å; F83-M89 HydrophobicContact CE2-CE 3.64Å; M89-M236 CarbonylContact O-C 3.56Å; M89-M236 WeakPolarHBondContact O-CA 3.3Å; M89-Y237 PolarHBondContact N-O 2.91Å; M89-Y237 PolarHBondContact O-N 2.7Å
90	K	92.5	Very high	87.1	Confident	132 Å²	132	67.8 Å²	67.8	57%	0.574	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.2	124.1	170	-178.1	178.4	178.3	-175.9	0	109.3	Y88 T234 L235 M236	Y88-K90 HydrophobicContact CE1-CB 3.91Å; K90-T234 HydrophobicContact CG-CG2 4.33Å; K90-L235 WeakPolarHBondContact CA-O 3.21Å; K90-M236 HydrophobicContact CG-CG 4.09Å
91	Q	90.8	Very high	86.9	Confident	74 Å²	74	66.6 Å²	66.6	35%	0.346	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	135.5	-178.9	-163.1	168.7	10.4	0	0	110.8	L78 V93 L235	L78-Q91 VanDerWaalsContact CD1-CD 3.48Å; Q91-V93 HydrophobicContact CG-CG2 4.1Å; Q91-L235 PolarHBondContact N-O 3.22Å; Q91-L235 PolarHBondContact O-N 3.48Å
92	I	91.5	Very high	86.9	Confident	112 Å²	112	66.9 Å²	66.9	57%	0.574	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	124.6	173.2	-58.2	172	0	0	0	106.9	N232 L233 T234	I92-N232 HydrophobicContact CG2-CB 4.29Å; I92-L233 CarbonylContact C-O 3.29Å; I92-L233 WeakPolarHBondContact CA-O 3.46Å; I92-T234 HydrophobicContact CG1-CG2 4.38Å
93	V	90.5	Very high	86.9	Confident	19 Å²	19	70.9 Å²	70.9	12%	0.115	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	136.5	-178	-163.4	0	0	0	0	110.3	I77 L78 Q91 L233	I77-V93 HydrophobicContact CG2-CB 3.9Å; I77-V93 HydrophobicContact CG2-CG1 3.32Å; I77-V93 WeakPolarHBondContact O-CG1 3.48Å; L78-V93 HydrophobicContact CB-CG2 4.47Å; L78-V93 HydrophobicContact CD1-CG2 4.19Å; L78-V93 HydrophobicContact CD2-CG2 4.48Å; Q91-V93 HydrophobicContact CG-CG2 4.1Å; V93-L233 PolarHBondContact N-O 3.22Å; V93-L233 PolarHBondContact O-N 3.38Å
94	E	89.9	Confident	86.6	Confident	108 Å²	108	74.4 Å²	74.4	51%	0.505	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	120.6	172.8	-62.6	-166.8	157.5	0	0	110.2	K230	E94-K230 WeakPolarHBondContact OE2-CD 3.18Å; E94-K230 IonicContact OE2-NZ 3.03Å; E94-K230 PolarHBondContact OE2-NZ 2.73Å
95	V	88.3	Confident	86.6	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	120.8	178.2	-179.4	0	0	0	0	109.6	T64 I77 L97 L107 W169 K230 V231 L233	T64-V95 HydrophobicContact CG2-CG1 4.1Å; I77-V95 HydrophobicContact CD1-CB 4.44Å; I77-V95 HydrophobicContact CD1-CG1 3.84Å; I77-V95 HydrophobicContact CD1-CG2 3.86Å; I77-V95 HydrophobicContact CG1-CG1 4.42Å; I77-V95 HydrophobicContact CG1-CG2 4.3Å; I77-V95 HydrophobicContact CG2-CG2 3.97Å; V95-L97 PolarHBondContact O-N 3.47Å; V95-L107 HydrophobicContact CG1-CD2 4.22Å; V95-W169 HydrophobicContact CB-CZ2 4.32Å; V95-W169 HydrophobicContact CG1-CH2 4.18Å; V95-W169 HydrophobicContact CG1-CZ2 4.4Å; V95-W169 HydrophobicContact CG2-CZ2 4.2Å; V95-K230 WeakPolarHBondContact O-CA 3.4Å; V95-V231 HydrophobicContact CB-CG2 4.18Å; V95-V231 PolarHBondContact N-O 3.35Å; V95-V231 PolarHBondContact O-N 3.32Å; V95-L233 HydrophobicContact CG2-CB 3.78Å; V95-L233 HydrophobicContact CG2-CD2 4.06Å
96	P	88.1	Confident	86.7	Confident	63 Å²	63	75.1 Å²	75.1	41%	0.409	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	129.2	174.6	28.4	-32.7	0	0	0	110.5	P98	P96-P98 WeakPolarHBondContact O-CD 3.49Å
97	L	85.5	Confident	87	Confident	7 Å²	7	69 Å²	69	4%	0.037	34%	0.341	C	S	.	.			trans	-92.2	115.9	178.9	-69.4	-174.3	0	0	0	111.6	V95 T101 R102 L107 I224 S229 V231	V95-L97 PolarHBondContact O-N 3.47Å; L97-T101 HydrophobicContact CD2-CG2 4.21Å; L97-R102 HydrophobicContact CB-CG 4.12Å; L97-R102 PolarHBondContact O-NE 3.22Å; L97-L107 HydrophobicContact CD2-CD2 4.06Å; L97-I224 HydrophobicContact CD1-CD1 4.45Å; L97-I224 HydrophobicContact CD1-CG1 4.39Å; L97-I224 HydrophobicContact CD1-CG2 3.72Å; L97-S229 PolarHBondContact N-O 2.92Å; L97-V231 HydrophobicContact CD1-CB 4.4Å; L97-V231 HydrophobicContact CD1-CG1 3.5Å; L97-V231 VanDerWaalsContact CD1-CG1 3.5Å; L97-V231 HydrophobicContact CD1-CG2 4.07Å; L97-V231 HydrophobicContact CD2-CG2 3.72Å; L97-V231 HydrophobicContact CG-CG1 4.12Å; L97-V231 HydrophobicContact CG-CG2 3.83Å
98	P	85.6	Confident	87.1	Confident	30 Å²	30	64.7 Å²	64.7	20%	0.195	32%	0.319	C	S	.	.			trans	-59.5	149.5	174.7	-21.7	32.2	0	0	0	112.3	Q66 P96 K100 T101 R102 L107	Q66-P98 HydrophobicContact CG-CG 4.29Å; P96-P98 WeakPolarHBondContact O-CD 3.49Å; P98-K100 PolarHBondContact O-N 2.89Å; P98-K100 VanDerWaalsContact O-N 3.14Å; P98-T101 WeakPolarHBondContact O-CA 3.45Å; P98-T101 WeakPolarHBondContact O-CB 3.4Å; P98-T101 PolarHBondContact O-N 3.03Å; P98-R102 PolarHBondContact O-N 2.84Å; P98-L107 HydrophobicContact CG-CD1 4.08Å
99	A	84	Confident	87.2	Confident	56 Å²	56	58.9 Å²	58.9	46%	0.463	30%	0.296	S	S	.	.	H	α-helix	trans	-56	-33.5	177.9	0	0	0	0	0	113	R102 K103	A99-R102 PolarHBondContact O-N 3.45Å; A99-K103 WeakPolarHBondContact O-CG 3.06Å; A99-K103 PolarHBondContact O-N 2.94Å; A99-K103 VanDerWaalsContact O-N 3.1Å
100	K	83.6	Confident	87.3	Confident	142 Å²	142	57 Å²	57	62%	0.617	29%	0.287	S	S	*	.	H	α-helix	trans	-64.4	-42	173.8	-70.6	-171.5	178.2	-176.9	0	112.1	P98 K103 G105	P98-K100 PolarHBondContact O-N 2.89Å; P98-K100 VanDerWaalsContact O-N 3.14Å; K100-K103 CarbonylContact O-C 3.57Å; K100-K103 VanDerWaalsContact O-C 3.29Å; K100-K103 PolarHBondContact O-N 2.89Å; K100-G105 VanDerWaalsContact O-CA 3.3Å; K100-G105 WeakPolarHBondContact O-CA 3.2Å; K100-G105 PolarHBondContact O-N 2.9Å
101	T	83.1	Confident	87.3	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65.4	-41.4	177.1	-53.7	0	0	0	0	111.2	L97 P98 K103 N104 G105 L107 T136 I224	L97-T101 HydrophobicContact CD2-CG2 4.21Å; P98-T101 WeakPolarHBondContact O-CA 3.45Å; P98-T101 WeakPolarHBondContact O-CB 3.4Å; P98-T101 PolarHBondContact O-N 3.03Å; T101-K103 PolarHBondContact O-N 3.2Å; T101-N104 PolarHBondContact O-N 3.41Å; T101-N104 VanDerWaalsContact O-N 3.14Å; T101-G105 PolarHBondContact O-N 3.4Å; T101-L107 HydrophobicContact CG2-CB 3.97Å; T101-T136 HydrophobicContact CG2-CG2 3.9Å; T101-I224 HydrophobicContact CG2-CD1 4.4Å
102	R	83.1	Confident	87.3	Confident	88 Å²	88	47.1 Å²	47.1	33%	0.332	24%	0.243	S	C	.	.	H	α-helix	trans	-60.7	-29.2	173.1	-68.4	-173.6	-85	153.5	-6.4	113.1	L97 P98 A99 N104 A226 S228	L97-R102 HydrophobicContact CB-CG 4.12Å; L97-R102 PolarHBondContact O-NE 3.22Å; P98-R102 PolarHBondContact O-N 2.84Å; A99-R102 PolarHBondContact O-N 3.45Å; R102-N104 VanDerWaalsContact C-N 3.3Å; R102-N104 PolarHBondContact O-N 2.96Å; R102-A226 WeakPolarHBondContact CD-O 3.48Å; R102-S228 WeakPolarHBondContact CD-O 3.48Å
103	K	83.3	Confident	87.2	Confident	183 Å²	183	41.8 Å²	41.8	80%	0.796	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.1	45.8	172.2	-64.6	-175.8	179.1	-172.1	0	111.9	A99 K100 T101 G105	A99-K103 WeakPolarHBondContact O-CG 3.06Å; A99-K103 PolarHBondContact O-N 2.94Å; A99-K103 VanDerWaalsContact O-N 3.1Å; K100-K103 CarbonylContact O-C 3.57Å; K100-K103 VanDerWaalsContact O-C 3.29Å; K100-K103 PolarHBondContact O-N 2.89Å; T101-K103 PolarHBondContact O-N 3.2Å; K103-G105 VanDerWaalsContact C-N 3.33Å; K103-G105 PolarHBondContact O-N 2.9Å
104	N	79.9	Confident	87.2	Confident	79 Å²	79	40.9 Å²	40.9	42%	0.422	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	39	179.1	-69.6	-28.9	0	0	0	114.7	T101 R102 Y138 S167	T101-N104 PolarHBondContact O-N 3.41Å; T101-N104 VanDerWaalsContact O-N 3.14Å; R102-N104 VanDerWaalsContact C-N 3.3Å; R102-N104 PolarHBondContact O-N 2.96Å; N104-Y138 HydrophobicContact CB-CE1 4.13Å; N104-Y138 PolarHBondContact O-OH 3.47Å; N104-S167 PolarHBondContact OD1-N 2.87Å; N104-S167 PolarHBondContact OD1-OG 2.82Å; N104-S167 VanDerWaalsContact OD1-OG 3.05Å
105	G	83.3	Confident	87	Confident	19 Å²	19	36.9 Å²	36.9	20%	0.196	19%	0.193	C	C	.	.			trans	-90.4	158.3	170.3	0	0	0	0	0	112	K100 T101 K103	K100-G105 VanDerWaalsContact O-CA 3.3Å; K100-G105 WeakPolarHBondContact O-CA 3.2Å; K100-G105 PolarHBondContact O-N 2.9Å; T101-G105 PolarHBondContact O-N 3.4Å; K103-G105 VanDerWaalsContact C-N 3.33Å; K103-G105 PolarHBondContact O-N 2.9Å
106	S	86.6	Confident	86.8	Confident	38 Å²	38	40.4 Å²	40.4	27%	0.266	21%	0.21	S	C	.	.			trans	-80.9	142.5	174.3	57.7	0	0	0	0	112.7	T136	S106-T136 VanDerWaalsContact CA-OG1 3.23Å; S106-T136 WeakPolarHBondContact CA-OG1 3.49Å
107	L	89.6	Confident	86.5	Confident	1 Å²	1	39 Å²	39	1%	0.005	20%	0.2	C	C	.	.			trans	-119.1	135.6	167.7	-160.4	71.2	0	0	0	110.2	T64 S65 Q66 V95 L97 P98 T101 M135 T136 W169	T64-L107 HydrophobicContact CG2-CD2 3.77Å; T64-L107 HydrophobicContact CG2-CG 4.01Å; S65-L107 WeakPolarHBondContact O-CD1 3.48Å; Q66-L107 HydrophobicContact CG-CD1 4.41Å; V95-L107 HydrophobicContact CG1-CD2 4.22Å; L97-L107 HydrophobicContact CD2-CD2 4.06Å; P98-L107 HydrophobicContact CG-CD1 4.08Å; T101-L107 HydrophobicContact CG2-CB 3.97Å; L107-M135 PolarHBondContact O-N 2.76Å; L107-T136 HydrophobicContact CB-CG2 3.78Å; L107-T136 PolarHBondContact N-OG1 3.4Å; L107-W169 HydrophobicContact CB-CZ3 4.26Å; L107-W169 HydrophobicContact CD2-CH2 3.89Å; L107-W169 HydrophobicContact CD2-CZ3 3.54Å; L107-W169 HydrophobicContact CG-CZ3 4.37Å
108	W	90.6	Very high	86.2	Confident	45 Å²	45	46.4 Å²	46.4	17%	0.17	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	139.6	178.3	-64.6	81.5	0	0	0	109.4	T64 S65 V68 A133 K134	T64-W108 VanDerWaalsContact CA-O 3.29Å; T64-W108 WeakPolarHBondContact CA-O 3.48Å; T64-W108 WeakPolarHBondContact CG2-O 3.4Å; S65-W108 PolarHBondContact N-O 2.65Å; S65-W108 PolarHBondContact O-N 3.42Å; V68-W108 HydrophobicContact CG2-CD2 4.04Å; V68-W108 VanDerWaalsContact CG2-CE2 3.5Å; V68-W108 HydrophobicContact CG2-CE3 4.31Å; V68-W108 HydrophobicContact CG2-CH2 3.65Å; V68-W108 HydrophobicContact CG2-CZ2 3.33Å; V68-W108 HydrophobicContact CG2-CZ3 4.13Å; W108-A133 CarbonylContact C-O 3.47Å; W108-A133 WeakPolarHBondContact CA-O 3.47Å; W108-K134 HydrophobicContact CD2-CB 4.25Å; W108-K134 HydrophobicContact CD2-CG 4.44Å; W108-K134 HydrophobicContact CE3-CB 3.97Å; W108-K134 HydrophobicContact CH2-CB 3.79Å; W108-K134 HydrophobicContact CH2-CD 4.28Å; W108-K134 HydrophobicContact CH2-CG 4.2Å; W108-K134 HydrophobicContact CZ2-CB 4.06Å; W108-K134 HydrophobicContact CZ2-CD 4.02Å; W108-K134 HydrophobicContact CZ2-CG 3.96Å; W108-K134 HydrophobicContact CZ3-CB 3.75Å
109	L	91.4	Very high	86	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	132.5	172.9	-179.2	148.7	0	0	0	108.7	I62 A111 T132 A133 M135 V173 L211 L233	I62-L109 HydrophobicContact CG2-CD1 3.83Å; I62-L109 HydrophobicContact CG2-CD2 3.93Å; I62-L109 HydrophobicContact CG2-CG 3.68Å; L109-A111 HydrophobicContact CD2-CB 4.28Å; L109-T132 CarbonylContact O-C 3.59Å; L109-T132 WeakPolarHBondContact O-CA 3.27Å; L109-A133 PolarHBondContact N-O 3.42Å; L109-A133 PolarHBondContact O-N 2.9Å; L109-M135 HydrophobicContact CB-CG 3.47Å; L109-M135 VanDerWaalsContact CB-CG 3.47Å; L109-M135 HydrophobicContact CB-SD 3.88Å; L109-M135 HydrophobicContact CD1-CE 4.4Å; L109-M135 HydrophobicContact CD1-CG 4.4Å; L109-M135 HydrophobicContact CD1-SD 4.18Å; L109-V173 HydrophobicContact CD1-CG2 4.37Å; L109-L211 HydrophobicContact CD2-CD1 4.32Å; L109-L233 HydrophobicContact CD1-CD2 3.46Å; L109-L233 VanDerWaalsContact CD1-CD2 3.46Å
110	H	92.4	Very high	85.7	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	111.9	179	-61.2	-80.7	0	0	0	108.1	I62 Y63 S65 V68 L73 F112 L130 Q131 T132	I62-H110 WeakPolarHBondContact CA-O 3.4Å; Y63-H110 PolarHBondContact N-O 3.3Å; Y63-H110 PolarHBondContact O-N 2.65Å; S65-H110 PolarHBondContact OG-CD2 2.99Å; S65-H110 VanDerWaalsContact OG-CD2 3.3Å; S65-H110 PolarHBondContact OG-NE2 2.82Å; V68-H110 PolarHBondContact O-CE1 3.24Å; L73-H110 HydrophobicContact CD2-CB 4.46Å; H110-F112 HydrophobicContact CB-CD2 4.33Å; H110-F112 HydrophobicContact CB-CE2 3.67Å; H110-F112 HydrophobicContact CB-CZ 4.4Å; H110-L130 HydrophobicContact CB-CD1 3.94Å; H110-Q131 WeakPolarHBondContact CA-O 3.12Å; H110-T132 WeakPolarHBondContact ND1-CG2 3.33Å
111	A	91.9	Very high	85.6	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	124.2	174.7	0	0	0	0	0	109	I62 L109 Q131 L175 F209	I62-A111 HydrophobicContact CG1-CB 4.27Å; L109-A111 HydrophobicContact CD2-CB 4.28Å; A111-Q131 PolarHBondContact N-O 2.99Å; A111-Q131 PolarHBondContact O-N 2.8Å; A111-L175 HydrophobicContact CB-CD1 4.16Å; A111-L175 HydrophobicContact CB-CD2 4.01Å; A111-F209 HydrophobicContact CB-CE1 3.87Å; A111-F209 HydrophobicContact CB-CZ 3.88Å
112	F	91.1	Very high	85.5	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131.7	178.1	-65.3	-98.4	0	0	0	110	R61 Y63 L73 H110 L114 P122 F123 H128 L129 L130	R61-F112 HydrophobicContact CB-CB 4.48Å; R61-F112 PolarHBondContact N-O 3.17Å; R61-F112 PolarHBondContact O-N 2.92Å; Y63-F112 AromaticContact CD2-CD2 3.61Å; Y63-F112 HydrophobicContact CD2-CD2 3.61Å; Y63-F112 AromaticContact CD2-CE2 3.69Å; Y63-F112 HydrophobicContact CD2-CE2 3.69Å; Y63-F112 AromaticContact CE2-CD2 3.97Å; Y63-F112 HydrophobicContact CE2-CD2 3.97Å; Y63-F112 HydrophobicContact CE2-CE2 4.27Å; L73-F112 HydrophobicContact CD1-CE2 4.15Å; L73-F112 HydrophobicContact CD1-CZ 4.13Å; L73-F112 HydrophobicContact CD2-CE2 3.97Å; L73-F112 HydrophobicContact CD2-CZ 4.16Å; H110-F112 HydrophobicContact CB-CD2 4.33Å; H110-F112 HydrophobicContact CB-CE2 3.67Å; H110-F112 HydrophobicContact CB-CZ 4.4Å; F112-L114 HydrophobicContact CB-CD2 3.63Å; F112-P122 HydrophobicContact CB-CB 4.49Å; F112-P122 HydrophobicContact CD1-CB 4Å; F112-P122 HydrophobicContact CD1-CG 4.25Å; F112-P122 HydrophobicContact CD2-CG 4.3Å; F112-P122 HydrophobicContact CE1-CB 4.28Å; F112-P122 HydrophobicContact CE1-CG 4.1Å; F112-P122 HydrophobicContact CE2-CG 4.15Å; F112-P122 HydrophobicContact CG-CB 4.11Å; F112-P122 HydrophobicContact CG-CG 4.33Å; F112-P122 HydrophobicContact CZ-CG 4.03Å; F112-F123 HydrophobicContact CE1-CD1 4.5Å; F112-F123 AromaticContact CE1-CE1 3.84Å; F112-F123 HydrophobicContact CE1-CE1 3.84Å; F112-F123 AromaticContact CE1-CZ 3.84Å; F112-F123 HydrophobicContact CE1-CZ 3.84Å; F112-F123 HydrophobicContact CZ-CE1 4.18Å; F112-F123 HydrophobicContact CZ-CE2 4.23Å; F112-F123 AromaticContact CZ-CZ 3.7Å; F112-F123 HydrophobicContact CZ-CZ 3.7Å; F112-H128 HydrophobicContact CD1-CB 4.42Å; F112-L129 VanDerWaalsContact CA-O 3.27Å; F112-L129 WeakPolarHBondContact CA-O 3.12Å; F112-L130 HydrophobicContact CD1-CB 4.31Å; F112-L130 HydrophobicContact CD1-CD1 4.01Å; F112-L130 HydrophobicContact CD2-CD1 4.17Å; F112-L130 HydrophobicContact CE1-CB 4.2Å; F112-L130 HydrophobicContact CE1-CD1 3.64Å; F112-L130 HydrophobicContact CE1-CD2 4.23Å; F112-L130 HydrophobicContact CE1-CG 4.23Å; F112-L130 HydrophobicContact CE2-CD1 3.81Å; F112-L130 HydrophobicContact CG-CD1 4.28Å; F112-L130 HydrophobicContact CZ-CD1 3.54Å; F112-L130 HydrophobicContact CZ-CD2 4.36Å; F112-L130 HydrophobicContact CZ-CG 4.46Å
113	V	90	Very high	85.6	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	126	161	-179.4	0	0	0	0	107.9	L58 Q59 L60 M85 H128 L129 F209	L58-V113 HydrophobicContact CB-CG1 4.16Å; L58-V113 HydrophobicContact CD1-CG1 3.83Å; Q59-V113 WeakPolarHBondContact O-CA 3.28Å; L60-V113 HydrophobicContact CD1-CG2 3.92Å; M85-V113 HydrophobicContact CE-CB 4.38Å; M85-V113 HydrophobicContact CE-CG1 3.62Å; M85-V113 HydrophobicContact CE-CG2 4.33Å; V113-H128 WeakPolarHBondContact O-CA 3.27Å; V113-L129 HydrophobicContact CB-CB 4.26Å; V113-L129 HydrophobicContact CB-CD1 4.33Å; V113-L129 PolarHBondContact N-O 2.92Å; V113-L129 PolarHBondContact O-N 3.35Å; V113-F209 HydrophobicContact CG2-CB 4.46Å; V113-F209 HydrophobicContact CG2-CD1 3.93Å; V113-F209 HydrophobicContact CG2-CD2 3.77Å; V113-F209 HydrophobicContact CG2-CE1 4.03Å; V113-F209 HydrophobicContact CG2-CE2 3.86Å; V113-F209 HydrophobicContact CG2-CG 3.79Å; V113-F209 HydrophobicContact CG2-CZ 3.99Å
114	L	89.6	Confident	85.6	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	160.8	-177.2	47.3	129.1	0	0	0	110.4	Q59 R61 F112 P122 A125	Q59-L114 HydrophobicContact CB-CD1 4.05Å; Q59-L114 HydrophobicContact CB-CG 4.07Å; Q59-L114 PolarHBondContact N-O 2.9Å; Q59-L114 PolarHBondContact O-N 2.75Å; Q59-L114 VanDerWaalsContact OE1-CD1 3.31Å; R61-L114 HydrophobicContact CB-CD2 4.26Å; R61-L114 HydrophobicContact CG-CD2 4.14Å; F112-L114 HydrophobicContact CB-CD2 3.63Å; L114-P122 HydrophobicContact CD2-CB 3.97Å; L114-A125 HydrophobicContact CB-CB 4.1Å
115	P	86.2	Confident	85.7	Confident	23 Å²	23	40.6 Å²	40.6	15%	0.149	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	166.6	169.2	29	-32.2	0	0	0	110.5	Q59 V117 P126 W127	Q59-P115 PolarHBondContact OE1-O 3.43Å; P115-V117 HydrophobicContact CG-CG2 4.22Å; P115-V117 PolarHBondContact O-N 2.71Å; P115-P126 HydrophobicContact CG-CG 3.63Å; P115-W127 HydrophobicContact CB-CZ2 4.14Å; P115-W127 VanDerWaalsContact CD-O 3.26Å; P115-W127 WeakPolarHBondContact CD-O 3.4Å; P115-W127 HydrophobicContact CG-CD2 4.44Å; P115-W127 HydrophobicContact CG-CZ2 4.26Å
116	Q	83.2	Confident	85.8	Confident	74 Å²	74	44.8 Å²	44.8	35%	0.346	24%	0.241	S	C	.	.	S	Bend	trans	-61.2	103.1	179.4	-68.7	-77.4	-16.9	0	0	111.4	K57 L58 Q59 N82	K57-Q116 HydrophobicContact CB-CG 4.31Å; K57-Q116 WeakPolarHBondContact O-CG 3.3Å; L58-Q116 PolarHBondContact O-NE2 3.09Å; Q59-Q116 VanDerWaalsContact CG-CD 3.49Å; Q59-Q116 HydrophobicContact CG-CG 4.32Å; N82-Q116 PolarHBondContact OD1-NE2 3.07Å; N82-Q116 VanDerWaalsContact OD1-NE2 3.15Å
117	V	83.2	Confident	85.7	Confident	33 Å²	33	43.9 Å²	43.9	20%	0.2	23%	0.232	C	C	.	.			trans	-135.3	125.8	-178.5	177.6	0	0	0	0	109.3	Q59 R61 P115 E119 A125	Q59-V117 PolarHBondContact OE1-O 2.93Å; R61-V117 PolarHBondContact NH2-O 2.75Å; P115-V117 HydrophobicContact CG-CG2 4.22Å; P115-V117 PolarHBondContact O-N 2.71Å; V117-E119 HydrophobicContact CG1-CB 3.63Å; V117-E119 PolarHBondContact O-N 3.25Å; V117-A125 HydrophobicContact CG2-CB 4.25Å
118	N	79	Confident	85.7	Confident	163 Å²	163	46.7 Å²	46.7	87%	0.872	25%	0.245	S	C	*	.			trans	-75.5	-3.2	-178.8	-72.5	-10.6	0	0	0	114.3
119	E	81	Confident	85.5	Confident	80 Å²	80	45 Å²	45	37%	0.374	24%	0.239	S	C	.	.			trans	-72.3	135.1	-179.2	-157.6	72.9	-170.1	0	0	111.1	R61 V117 N121 K124	R61-E119 PolarHBondContact NH1-O 3.28Å; V117-E119 HydrophobicContact CG1-CB 3.63Å; V117-E119 PolarHBondContact O-N 3.25Å; E119-N121 VanDerWaalsContact C-N 3.3Å; E119-N121 PolarHBondContact O-N 2.95Å; E119-K124 HydrophobicContact CG-CB 4.03Å; E119-K124 HydrophobicContact CG-CD 3.55Å; E119-K124 HydrophobicContact CG-CG 4.44Å; E119-K124 WeakPolarHBondContact OE1-CD 3.46Å; E119-K124 IonicContact OE1-NZ 3.22Å; E119-K124 PolarHBondContact OE1-NZ 3.18Å
120	S	77.5	Confident	85.5	Confident	97 Å²	97	47.4 Å²	47.4	68%	0.678	25%	0.252	S	S	*	.	S	Bend	trans	-68.7	-26.8	-178.1	58.5	0	0	0	0	113.7	Y63	Y63-S120 PolarHBondContact OH-O 2.84Å
121	N	81.9	Confident	85.4	Confident	63 Å²	63	48.9 Å²	48.9	34%	0.337	26%	0.259	S	S	.	.			trans	-93.9	114.3	179.9	-170.7	-7.2	0	0	0	110.7	E119 F123 K124	E119-N121 VanDerWaalsContact C-N 3.3Å; E119-N121 PolarHBondContact O-N 2.95Å; N121-F123 PolarHBondContact O-N 3.34Å; N121-F123 VanDerWaalsContact O-N 3.16Å; N121-F123 VanDerWaalsContact OD1-CD2 3.28Å; N121-F123 WeakPolarHBondContact OD1-CD2 3.25Å; N121-F123 PolarHBondContact OD1-N 3.5Å; N121-K124 HydrophobicContact CB-CD 4.42Å; N121-K124 HydrophobicContact CB-CG 4.46Å; N121-K124 PolarHBondContact O-N 3.35Å
122	P	81.9	Confident	85.4	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.013	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-64.5	-21.8	-176.7	27.8	-36.9	0	0	0	113.5	Y63 L73 F112 L114 K124 A125	Y63-P122 HydrophobicContact CD2-CG 4.47Å; Y63-P122 HydrophobicContact CE2-CB 4.33Å; Y63-P122 HydrophobicContact CE2-CG 3.76Å; L73-P122 HydrophobicContact CD1-CG 3.4Å; L73-P122 VanDerWaalsContact CD1-CG 3.4Å; F112-P122 HydrophobicContact CB-CB 4.49Å; F112-P122 HydrophobicContact CD1-CB 4Å; F112-P122 HydrophobicContact CD1-CG 4.25Å; F112-P122 HydrophobicContact CD2-CG 4.3Å; F112-P122 HydrophobicContact CE1-CB 4.28Å; F112-P122 HydrophobicContact CE1-CG 4.1Å; F112-P122 HydrophobicContact CE2-CG 4.15Å; F112-P122 HydrophobicContact CG-CB 4.11Å; F112-P122 HydrophobicContact CG-CG 4.33Å; F112-P122 HydrophobicContact CZ-CG 4.03Å; L114-P122 HydrophobicContact CD2-CB 3.97Å; P122-K124 VanDerWaalsContact C-N 3.25Å; P122-K124 PolarHBondContact O-N 2.99Å; P122-A125 VanDerWaalsContact O-CB 3.31Å; P122-A125 WeakPolarHBondContact O-CB 3.39Å; P122-A125 PolarHBondContact O-N 3.29Å
123	F	83.3	Confident	85.4	Confident	68 Å²	68	50.9 Å²	50.9	30%	0.298	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-71.8	-17.3	179.6	-66.7	-68.1	0	0	0	114.4	S70 L73 F112 N121 A125 H128	S70-F123 VanDerWaalsContact O-CE2 3.3Å; S70-F123 WeakPolarHBondContact O-CE2 3.11Å; S70-F123 VanDerWaalsContact OG-CZ 3.32Å; S70-F123 WeakPolarHBondContact OG-CZ 3.11Å; L73-F123 HydrophobicContact CD1-CD2 4.33Å; L73-F123 HydrophobicContact CD1-CE2 3.74Å; L73-F123 HydrophobicContact CG-CE2 4.16Å; F112-F123 HydrophobicContact CE1-CD1 4.5Å; F112-F123 AromaticContact CE1-CE1 3.84Å; F112-F123 HydrophobicContact CE1-CE1 3.84Å; F112-F123 AromaticContact CE1-CZ 3.84Å; F112-F123 HydrophobicContact CE1-CZ 3.84Å; F112-F123 HydrophobicContact CZ-CE1 4.18Å; F112-F123 HydrophobicContact CZ-CE2 4.23Å; F112-F123 AromaticContact CZ-CZ 3.7Å; F112-F123 HydrophobicContact CZ-CZ 3.7Å; N121-F123 PolarHBondContact O-N 3.34Å; N121-F123 VanDerWaalsContact O-N 3.16Å; N121-F123 VanDerWaalsContact OD1-CD2 3.28Å; N121-F123 WeakPolarHBondContact OD1-CD2 3.25Å; N121-F123 PolarHBondContact OD1-N 3.5Å; F123-A125 VanDerWaalsContact C-N 3.28Å; F123-H128 AromaticContact CD1-CE1 3.96Å; F123-H128 AromaticContact CD1-NE2 3.78Å; F123-H128 AromaticContact CE1-NE2 3.96Å
124	K	83.7	Confident	85.4	Confident	138 Å²	138	54.3 Å²	54.3	60%	0.6	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-83.4	-6.6	176.2	-70.2	-179.1	173.4	-171.3	0	112.7	E119 N121 P122	E119-K124 HydrophobicContact CG-CB 4.03Å; E119-K124 HydrophobicContact CG-CD 3.55Å; E119-K124 HydrophobicContact CG-CG 4.44Å; E119-K124 WeakPolarHBondContact OE1-CD 3.46Å; E119-K124 IonicContact OE1-NZ 3.22Å; E119-K124 PolarHBondContact OE1-NZ 3.18Å; N121-K124 HydrophobicContact CB-CD 4.42Å; N121-K124 HydrophobicContact CB-CG 4.46Å; N121-K124 PolarHBondContact O-N 3.35Å; P122-K124 VanDerWaalsContact C-N 3.25Å; P122-K124 PolarHBondContact O-N 2.99Å
125	A	83.5	Confident	85.4	Confident	9 Å²	9	54.3 Å²	54.3	7%	0.074	29%	0.286	C	S	.	.	S	Bend	trans	-64.1	148.1	174.4	0	0	0	0	0	110.3	L114 V117 P122 F123 W127	L114-A125 HydrophobicContact CB-CB 4.1Å; V117-A125 HydrophobicContact CG2-CB 4.25Å; P122-A125 VanDerWaalsContact O-CB 3.31Å; P122-A125 WeakPolarHBondContact O-CB 3.39Å; P122-A125 PolarHBondContact O-N 3.29Å; F123-A125 VanDerWaalsContact C-N 3.28Å; A125-W127 WeakPolarHBondContact CB-O 3.28Å; A125-W127 PolarHBondContact O-N 2.85Å; A125-W127 VanDerWaalsContact O-N 3.15Å
126	P	83.9	Confident	85.5	Confident	106 Å²	106	53.2 Å²	53.2	69%	0.688	28%	0.279	S	S	*	.	S	Bend	trans	-59.4	-30.4	-177.7	24.9	-34.9	0	0	0	112.1	P115	P115-P126 HydrophobicContact CG-CG 3.63Å
127	W	85.5	Confident	85.7	Confident	19 Å²	19	51.3 Å²	51.3	7%	0.072	27%	0.273	C	S	.	.	S	Bend	trans	-148.7	156.7	168.3	60.3	-90.5	0	0	0	109.4	Y55 L58 P115 A125 L129 Y206	Y55-W127 HydrophobicContact CD1-CH2 4.2Å; Y55-W127 AromaticContact CD1-CZ2 3.68Å; Y55-W127 HydrophobicContact CD1-CZ2 3.68Å; Y55-W127 AromaticContact CE1-CE2 3.67Å; Y55-W127 HydrophobicContact CE1-CH2 4.08Å; Y55-W127 AromaticContact CE1-CZ2 3.29Å; Y55-W127 HydrophobicContact CE1-CZ2 3.29Å; Y55-W127 AromaticContact CE1-NE1 3.83Å; L58-W127 HydrophobicContact CD1-CH2 4.46Å; L58-W127 HydrophobicContact CD2-CH2 3.65Å; L58-W127 HydrophobicContact CD2-CZ2 3.74Å; P115-W127 HydrophobicContact CB-CZ2 4.14Å; P115-W127 VanDerWaalsContact CD-O 3.26Å; P115-W127 WeakPolarHBondContact CD-O 3.4Å; P115-W127 HydrophobicContact CG-CD2 4.44Å; P115-W127 HydrophobicContact CG-CZ2 4.26Å; A125-W127 WeakPolarHBondContact CB-O 3.28Å; A125-W127 PolarHBondContact O-N 2.85Å; A125-W127 VanDerWaalsContact O-N 3.15Å; W127-L129 HydrophobicContact CE3-CG 4.25Å; W127-L129 HydrophobicContact CZ3-CD1 3.91Å; W127-L129 HydrophobicContact CZ3-CG 3.94Å; W127-Y206 HydrophobicContact CB-CD2 4.48Å; W127-Y206 HydrophobicContact CB-CE1 3.94Å; W127-Y206 HydrophobicContact CB-CE2 3.77Å; W127-Y206 VanDerWaalsContact CB-CZ 3.45Å; W127-Y206 WeakPolarHBondContact CB-OH 3.46Å; W127-Y206 AromaticContact CD1-CE1 3.49Å; W127-Y206 VanDerWaalsContact CD1-CE1 3.49Å; W127-Y206 AromaticContact CD1-CZ 3.71Å; W127-Y206 AromaticContact CD2-CD1 3.63Å; W127-Y206 HydrophobicContact CD2-CD1 3.63Å; W127-Y206 AromaticContact CD2-CE1 3.45Å; W127-Y206 HydrophobicContact CD2-CE1 3.45Å; W127-Y206 VanDerWaalsContact CD2-CE1 3.45Å; W127-Y206 HydrophobicContact CD2-CG 4.29Å; W127-Y206 AromaticContact CD2-CZ 3.97Å; W127-Y206 AromaticContact CE2-CD1 3.93Å; W127-Y206 AromaticContact CE2-CE1 3.7Å; W127-Y206 AromaticContact CE3-CD1 3.76Å; W127-Y206 HydrophobicContact CE3-CD1 3.76Å; W127-Y206 HydrophobicContact CE3-CE1 4.06Å; W127-Y206 HydrophobicContact CE3-CG 4.06Å; W127-Y206 HydrophobicContact CG-CD1 4.02Å; W127-Y206 AromaticContact CG-CE1 3.36Å; W127-Y206 HydrophobicContact CG-CE1 3.36Å; W127-Y206 HydrophobicContact CG-CE2 4.13Å; W127-Y206 AromaticContact CG-CZ 3.42Å; W127-Y206 VanDerWaalsContact CG-CZ 3.42Å; W127-Y206 HydrophobicContact CH2-CD1 4.47Å; W127-Y206 HydrophobicContact CZ2-CD1 4.37Å; W127-Y206 HydrophobicContact CZ3-CD1 4.18Å; W127-Y206 AromaticContact NE1-CE1 3.67Å
128	H	88.3	Confident	85.8	Confident	61 Å²	61	54.1 Å²	54.1	28%	0.282	28%	0.28	S	S	.	.			trans	-150.7	144.1	175.6	60.3	-84.6	0	0	0	110.3	F112 V113 F123	F112-H128 HydrophobicContact CD1-CB 4.42Å; V113-H128 WeakPolarHBondContact O-CA 3.27Å; F123-H128 AromaticContact CD1-CE1 3.96Å; F123-H128 AromaticContact CD1-NE2 3.78Å; F123-H128 AromaticContact CE1-NE2 3.96Å
129	L	88.2	Confident	85.8	Confident	8 Å²	8	49.7 Å²	49.7	4%	0.042	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	118.4	172.1	-60.1	168.3	0	0	0	108.3	F112 V113 W127 V198 P207 F209	F112-L129 VanDerWaalsContact CA-O 3.27Å; F112-L129 WeakPolarHBondContact CA-O 3.12Å; V113-L129 HydrophobicContact CB-CB 4.26Å; V113-L129 HydrophobicContact CB-CD1 4.33Å; V113-L129 PolarHBondContact N-O 2.92Å; V113-L129 PolarHBondContact O-N 3.35Å; W127-L129 HydrophobicContact CE3-CG 4.25Å; W127-L129 HydrophobicContact CZ3-CD1 3.91Å; W127-L129 HydrophobicContact CZ3-CG 3.94Å; L129-V198 HydrophobicContact CD2-CB 4.13Å; L129-V198 HydrophobicContact CD2-CG2 3.9Å; L129-P207 HydrophobicContact CD1-CB 4.28Å; L129-P207 WeakPolarHBondContact CD1-O 3.47Å; L129-F209 HydrophobicContact CB-CB 4.31Å; L129-F209 HydrophobicContact CD1-CB 4.05Å
130	L	90.4	Very high	85.5	Confident	51 Å²	51	49.7 Å²	49.7	27%	0.267	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	124.9	-176.6	173.9	58.9	0	0	0	111	H110 F112 T132	H110-L130 HydrophobicContact CB-CD1 3.94Å; F112-L130 HydrophobicContact CD1-CB 4.31Å; F112-L130 HydrophobicContact CD1-CD1 4.01Å; F112-L130 HydrophobicContact CD2-CD1 4.17Å; F112-L130 HydrophobicContact CE1-CB 4.2Å; F112-L130 HydrophobicContact CE1-CD1 3.64Å; F112-L130 HydrophobicContact CE1-CD2 4.23Å; F112-L130 HydrophobicContact CE1-CG 4.23Å; F112-L130 HydrophobicContact CE2-CD1 3.81Å; F112-L130 HydrophobicContact CG-CD1 4.28Å; F112-L130 HydrophobicContact CZ-CD1 3.54Å; F112-L130 HydrophobicContact CZ-CD2 4.36Å; F112-L130 HydrophobicContact CZ-CG 4.46Å; L130-T132 HydrophobicContact CD1-CG2 3.75Å; L130-T132 HydrophobicContact CD2-CG2 3.98Å; L130-T132 HydrophobicContact CG-CG2 3.71Å
131	Q	91.2	Very high	85	Confident	32 Å²	32	50 Å²	50	15%	0.15	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	130.7	165.9	-68.1	-64.2	-24.7	0	0	110.1	H110 A111 L196 F209 L211	H110-Q131 WeakPolarHBondContact CA-O 3.12Å; A111-Q131 PolarHBondContact N-O 2.99Å; A111-Q131 PolarHBondContact O-N 2.8Å; Q131-L196 VanDerWaalsContact NE2-CD2 3.31Å; Q131-F209 HydrophobicContact CB-CD1 4.19Å; Q131-F209 HydrophobicContact CB-CE1 3.9Å; Q131-F209 HydrophobicContact CG-CD1 3.54Å; Q131-F209 HydrophobicContact CG-CE1 3.76Å; Q131-F209 HydrophobicContact CG-CG 4.47Å; Q131-F209 PolarHBondContact NE2-O 2.9Å; Q131-L211 HydrophobicContact CB-CB 3.93Å; Q131-L211 HydrophobicContact CG-CB 4.45Å
132	T	90.8	Very high	83.9	Confident	42 Å²	42	54.7 Å²	54.7	26%	0.258	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.5	-175.5	73.3	0	0	0	0	110.3	L109 H110 L130 W213	L109-T132 CarbonylContact O-C 3.59Å; L109-T132 WeakPolarHBondContact O-CA 3.27Å; H110-T132 WeakPolarHBondContact ND1-CG2 3.33Å; L130-T132 HydrophobicContact CD1-CG2 3.75Å; L130-T132 HydrophobicContact CD2-CG2 3.98Å; L130-T132 HydrophobicContact CG-CG2 3.71Å; T132-W213 WeakPolarHBondContact O-CZ2 3.49Å
133	A	90.6	Very high	82.5	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	139.2	178	0	0	0	0	0	112.6	W108 L109 M135 L211 W213 F216	W108-A133 CarbonylContact C-O 3.47Å; W108-A133 WeakPolarHBondContact CA-O 3.47Å; L109-A133 PolarHBondContact N-O 3.42Å; L109-A133 PolarHBondContact O-N 2.9Å; A133-M135 PolarHBondContact O-N 2.9Å; A133-L211 HydrophobicContact CB-CD1 3.46Å; A133-L211 VanDerWaalsContact CB-CD1 3.46Å; A133-L211 HydrophobicContact CB-CD2 3.78Å; A133-L211 HydrophobicContact CB-CG 4.28Å; A133-W213 HydrophobicContact CB-CH2 3.95Å; A133-W213 HydrophobicContact CB-CZ2 4.2Å; A133-W213 HydrophobicContact CB-CZ3 4.39Å; A133-F216 HydrophobicContact CB-CE2 4.16Å; A133-F216 HydrophobicContact CB-CZ 3.95Å
134	K	90.7	Very high	81	Confident	71 Å²	71	61.7 Å²	61.7	31%	0.309	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	119.2	170.1	-167.2	-179	-177.7	179	0	108.8	W108 T136 R170	W108-K134 HydrophobicContact CD2-CB 4.25Å; W108-K134 HydrophobicContact CD2-CG 4.44Å; W108-K134 HydrophobicContact CE3-CB 3.97Å; W108-K134 HydrophobicContact CH2-CB 3.79Å; W108-K134 HydrophobicContact CH2-CD 4.28Å; W108-K134 HydrophobicContact CH2-CG 4.2Å; W108-K134 HydrophobicContact CZ2-CB 4.06Å; W108-K134 HydrophobicContact CZ2-CD 4.02Å; W108-K134 HydrophobicContact CZ2-CG 3.96Å; W108-K134 HydrophobicContact CZ3-CB 3.75Å; K134-T136 WeakPolarHBondContact CE-O 3.41Å; K134-T136 WeakPolarHBondContact CG-O 2.99Å; K134-R170 PolarHBondContact O-NH1 2.82Å
135	M	89.3	Confident	79.5	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.282	C	S	.	.			trans	-93.3	-26.7	-177.1	-66.4	-55.9	-68.2	0	0	113.2	L107 L109 A133 W169 R170 V173 L233	L107-M135 PolarHBondContact O-N 2.76Å; L109-M135 HydrophobicContact CB-CG 3.47Å; L109-M135 VanDerWaalsContact CB-CG 3.47Å; L109-M135 HydrophobicContact CB-SD 3.88Å; L109-M135 HydrophobicContact CD1-CE 4.4Å; L109-M135 HydrophobicContact CD1-CG 4.4Å; L109-M135 HydrophobicContact CD1-SD 4.18Å; A133-M135 PolarHBondContact O-N 2.9Å; M135-W169 HydrophobicContact CB-CE3 3.82Å; M135-W169 HydrophobicContact CB-CH2 3.56Å; M135-W169 HydrophobicContact CB-CZ2 4.46Å; M135-W169 HydrophobicContact CB-CZ3 3.18Å; M135-W169 HydrophobicContact CE-CH2 3.85Å; M135-W169 HydrophobicContact CE-CZ2 3.74Å; M135-W169 HydrophobicContact CE-CZ3 4.42Å; M135-W169 HydrophobicContact CG-CH2 3.81Å; M135-W169 HydrophobicContact CG-CZ3 3.96Å; M135-R170 HydrophobicContact CE-CB 3.81Å; M135-R170 WeakPolarHBondContact CE-O 3.37Å; M135-R170 WeakPolarHBondContact O-CG 3.34Å; M135-R170 PolarHBondContact O-N 3.03Å; M135-R170 HydrophobicContact SD-CB 4.5Å; M135-V173 HydrophobicContact CE-CG2 3.34Å; M135-V173 HydrophobicContact SD-CG2 3.6Å; M135-V173 VanDerWaalsContact SD-CG2 3.6Å; M135-L233 HydrophobicContact CE-CD1 3.55Å; M135-L233 HydrophobicContact CE-CD2 4.49Å
136	T	88.7	Confident	78.3	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	129.7	178.3	52.8	0	0	0	0	111.4	T101 S106 L107 K134 H168 I224	T101-T136 HydrophobicContact CG2-CG2 3.9Å; S106-T136 VanDerWaalsContact CA-OG1 3.23Å; S106-T136 WeakPolarHBondContact CA-OG1 3.49Å; L107-T136 HydrophobicContact CB-CG2 3.78Å; L107-T136 PolarHBondContact N-OG1 3.4Å; K134-T136 WeakPolarHBondContact CE-O 3.41Å; K134-T136 WeakPolarHBondContact CG-O 2.99Å; T136-H168 CarbonylContact C-O 3.58Å; T136-H168 VanDerWaalsContact CA-O 3.3Å; T136-H168 WeakPolarHBondContact CA-O 3.12Å; T136-I224 HydrophobicContact CG2-CD1 4.13Å
137	V	87.8	Confident	77.2	Confident	35 Å²	35	56.4 Å²	56.4	21%	0.212	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	136.4	174.5	-178.3	0	0	0	0	108.9	R139 H168 L221	V137-R139 HydrophobicContact CG1-CG 4.22Å; V137-H168 PolarHBondContact N-O 2.67Å; V137-H168 PolarHBondContact O-N 3.35Å; V137-L221 HydrophobicContact CB-CD2 4.44Å; V137-L221 HydrophobicContact CG2-CD2 4.44Å
138	Y	85.5	Confident	76	Confident	92 Å²	92	58.7 Å²	58.7	36%	0.361	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	125.6	176.5	-58.2	-72.7	0	0	0	110	N104 V166	N104-Y138 HydrophobicContact CB-CE1 4.13Å; N104-Y138 PolarHBondContact O-OH 3.47Å; Y138-V166 WeakPolarHBondContact CA-O 3.5Å
139	R	77.7	Confident	74.6	Confident	69 Å²	69	64.8 Å²	64.8	26%	0.26	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	149.8	175	-70.7	-164.8	174.9	-169	4.9	110.6	V137 V166 H168 T218	V137-R139 HydrophobicContact CG1-CG 4.22Å; R139-V166 PolarHBondContact N-O 3.41Å; R139-V166 PolarHBondContact O-N 2.73Å; R139-H168 PolarHBondContact O-CE1 2.99Å; R139-T218 PolarHBondContact NH1-OG1 2.99Å; R139-T218 PolarHBondContact NH2-OG1 3.36Å
140	V	75.8	Confident	73	Confident	81 Å²	81	66.2 Å²	66.2	49%	0.491	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-64.7	139	170.2	-175.5	0	0	0	0	108.4	K142	V140-K142 PolarHBondContact O-N 3.22Å
141	R	67	Low	71.3	Confident	103 Å²	103	68.1 Å²	68.1	39%	0.389	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-56.5	126.9	177	-72.1	177.7	166	161.2	1.5	109.8	R143 V166 E223	R141-R143 PolarHBondContact O-N 3.25Å; R141-V166 HydrophobicContact CG-CB 4.39Å; R141-V166 HydrophobicContact CG-CG2 3.89Å; R141-E223 IonicContact CZ-OE1 3.98Å; R141-E223 IonicContact NE-OE1 3.96Å; R141-E223 PolarHBondContact NE-OE1 2.91Å; R141-E223 IonicContact NE-OE2 3.42Å; R141-E223 IonicContact NH2-OE1 3.67Å; R141-E223 PolarHBondContact NH2-OE1 2.77Å
142	K	58.5	Low	69.2	Low	162 Å²	162	72.6 Å²	72.6	70%	0.704	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-71.1	121.1	167	-77.8	-177.2	177.5	179.6	0	107.1	V140	V140-K142 PolarHBondContact O-N 3.22Å
143	R	52.6	Low	67	Low	74 Å²	74	80.1 Å²	80.1	28%	0.279	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-82.5	124.4	177.8	-67.5	-179.9	-175.5	124.7	5.4	109.6	R141 R145 T422	R141-R143 PolarHBondContact O-N 3.25Å; R143-R145 HydrophobicContact CB-CG 4.45Å; R143-T422 HydrophobicContact CB-CG2 4.31Å; R143-T422 WeakPolarHBondContact CD-O 3.05Å; R143-T422 PolarHBondContact NH1-O 3.47Å; R143-T422 VanDerWaalsContact NH1-O 3.1Å
144	D	51	Low	64.9	Low	143 Å²	143	84.4 Å²	84.4	77%	0.765	41%	0.411	S	S	*	.			trans	-106.6	94.8	149.4	-65.4	-27.8	0	0	0	106	P420	D144-P420 HydrophobicContact CB-CB 4.2Å; D144-P420 HydrophobicContact CB-CG 4.39Å
145	R	52.2	Low	62.7	Low	86 Å²	86	82.6 Å²	82.6	33%	0.325	41%	0.408	S	S	.	.			trans	-127.6	131.4	176.5	-72.4	-170.2	173.6	173.4	0.2	111	R143 L147 E162 P420 H421	R143-R145 HydrophobicContact CB-CG 4.45Å; R145-L147 PolarHBondContact O-N 2.99Å; R145-E162 IonicContact CZ-OE1 3.84Å; R145-E162 IonicContact CZ-OE2 2.91Å; R145-E162 IonicContact NH1-OE1 2.7Å; R145-E162 IonicContact NH1-OE2 2.79Å; R145-E162 PolarHBondContact NH1-OE2 3.08Å; R145-E162 IonicContact NH2-OE1 3.62Å; R145-E162 PolarHBondContact NH2-OE1 2.77Å; R145-E162 IonicContact NH2-OE2 3.67Å; R145-E162 PolarHBondContact NH2-OE2 2.9Å; R145-P420 CarbonylContact O-C 3.58Å; R145-P420 WeakPolarHBondContact O-CA 3.43Å; R145-P420 WeakPolarHBondContact O-CB 3.33Å; R145-H421 PolarHBondContact O-N 2.94Å
146	V	58.6	Low	60.5	Low	40 Å²	40	90.6 Å²	90.6	24%	0.242	45%	0.445	C	S	.	.			trans	-78.7	117.6	166.1	-179.7	0	0	0	0	107.6	I148 Y149 L417 P420	V146-I148 VanDerWaalsContact C-N 3.25Å; V146-I148 PolarHBondContact O-N 3.33Å; V146-Y149 HydrophobicContact CB-CD2 3.95Å; V146-Y149 HydrophobicContact CG1-CD2 3.67Å; V146-Y149 HydrophobicContact CG1-CE2 4.13Å; V146-Y149 PolarHBondContact O-N 3Å; V146-L417 WeakPolarHBondContact CG1-O 3.3Å; V146-P420 HydrophobicContact CG2-CB 4.4Å
147	L	61.9	Low	58.1	Low	15 Å²	15	98.7 Å²	98.7	8%	0.079	48%	0.483	C	S	.	.	G	3₁₀ helix	trans	-56.5	-36.6	-169.9	-76.5	164.6	0	0	0	113.2	R145 Y149 S150 L416 H421 W424 W427	R145-L147 PolarHBondContact O-N 2.99Å; L147-Y149 PolarHBondContact O-N 3.29Å; L147-S150 PolarHBondContact O-N 3.42Å; L147-S150 PolarHBondContact O-OG 3.49Å; L147-L416 HydrophobicContact CB-CD1 4.03Å; L147-L416 HydrophobicContact CD1-CD1 3.83Å; L147-H421 HydrophobicContact CD1-CB 3.77Å; L147-H421 HydrophobicContact CG-CB 4.14Å; L147-W424 HydrophobicContact CD1-CD2 4.42Å; L147-W424 HydrophobicContact CD2-CG 4.45Å; L147-W427 HydrophobicContact CD1-CB 3.54Å; L147-W427 HydrophobicContact CD1-CG 3.94Å
148	I	60.5	Low	55.9	Low	67 Å²	67	100.5 Å²	100.5	34%	0.344	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-69.5	-30	-175.5	-66.6	172.9	0	0	0	112.7	V146 S150 S151 L416 L417	V146-I148 VanDerWaalsContact C-N 3.25Å; V146-I148 PolarHBondContact O-N 3.33Å; I148-S150 VanDerWaalsContact C-N 3.34Å; I148-S151 PolarHBondContact O-OG 3.25Å; I148-L416 HydrophobicContact CD1-CB 4.39Å; I148-L416 HydrophobicContact CD1-CD2 3.94Å; I148-L416 HydrophobicContact CD1-CG 3.69Å; I148-L416 HydrophobicContact CG1-CD2 4.24Å; I148-L416 HydrophobicContact CG1-CG 3.92Å; I148-L417 HydrophobicContact CD1-CD2 3.43Å; I148-L417 VanDerWaalsContact CD1-CD2 3.43Å; I148-L417 HydrophobicContact CD1-CG 3.95Å
149	Y	58.4	Low	53.9	Low	190 Å²	190	99.4 Å²	99.4	75%	0.745	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-84.7	-9.2	-178.8	-71.5	-78.8	0	0	0	113.5	V146 L147	V146-Y149 HydrophobicContact CB-CD2 3.95Å; V146-Y149 HydrophobicContact CG1-CD2 3.67Å; V146-Y149 HydrophobicContact CG1-CE2 4.13Å; V146-Y149 PolarHBondContact O-N 3Å; L147-Y149 PolarHBondContact O-N 3.29Å
150	S	54.3	Low	52.4	Low	38 Å²	38	100.5 Å²	100.5	27%	0.266	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-92.4	-4	-178.9	51.7	0	0	0	0	114.9	L147 I148 D152 S155	L147-S150 PolarHBondContact O-N 3.42Å; L147-S150 PolarHBondContact O-OG 3.49Å; I148-S150 VanDerWaalsContact C-N 3.34Å; S150-D152 VanDerWaalsContact C-N 3.31Å; S150-D152 PolarHBondContact O-N 3.13Å; S150-S155 WeakPolarHBondContact O-CB 3.47Å; S150-S155 PolarHBondContact O-OG 3.49Å
151	S	54.1	Low	51	Low	90 Å²	90	101.9 Å²	101.9	63%	0.629	51%	0.511	S	S	*	.			trans	-77.5	-6.5	-178.9	19.6	0	0	0	0	115.1	I148 E153	I148-S151 PolarHBondContact O-OG 3.25Å; S151-E153 PolarHBondContact O-N 2.98Å
152	D	46.9	Very low	50.3	Low	127 Å²	127	98.1 Å²	98.1	68%	0.679	50%	0.498	S	S	*	.	S	Bend	trans	-70.3	128.9	172.1	-74.3	-17.1	0	0	0	110.1	S150 S154 S155	S150-D152 VanDerWaalsContact C-N 3.31Å; S150-D152 PolarHBondContact O-N 3.13Å; D152-S154 PolarHBondContact O-N 3.01Å; D152-S154 PolarHBondContact O-OG 3.39Å; D152-S155 PolarHBondContact O-N 3.48Å
153	E	46.1	Very low	50.4	Low	199 Å²	199	97 Å²	97	93%	0.93	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-49.3	-3.2	-163.9	-63.4	-175.2	148	0	0	117.9	S151 S155	S151-E153 PolarHBondContact O-N 2.98Å; E153-S155 PolarHBondContact O-N 2.77Å
154	S	44.9	Very low	51.1	Low	90 Å²	90	100 Å²	100	63%	0.629	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-74.1	-6.7	174.2	64.2	0	0	0	0	115.1	D152 N158	D152-S154 PolarHBondContact O-N 3.01Å; D152-S154 PolarHBondContact O-OG 3.39Å; S154-N158 PolarHBondContact O-ND2 2.97Å
155	S	45.2	Very low	52.4	Low	33 Å²	33	96.7 Å²	96.7	23%	0.231	49%	0.493	C	S	.	.	G	3₁₀ helix	trans	-89.6	-19.5	-170.5	-64.4	0	0	0	0	115.6	S150 D152 E153 Q157 N158 T159	S150-S155 WeakPolarHBondContact O-CB 3.47Å; S150-S155 PolarHBondContact O-OG 3.49Å; D152-S155 PolarHBondContact O-N 3.48Å; E153-S155 PolarHBondContact O-N 2.77Å; S155-Q157 PolarHBondContact O-N 2.85Å; S155-N158 PolarHBondContact O-N 3.33Å; S155-T159 PolarHBondContact O-N 3.1Å; S155-T159 PolarHBondContact O-OG1 2.92Å
156	E	42.2	Very low	53.8	Low	169 Å²	169	93.2 Å²	93.2	79%	0.79	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-28.1	-174.8	-81.2	-167.5	159.8	0	0	114.7	T159	E156-T159 WeakPolarHBondContact CA-OG1 3.35Å; E156-T159 PolarHBondContact O-OG1 2.95Å
157	Q	37.9	Very low	55.1	Low	169 Å²	169	91.3 Å²	91.3	79%	0.79	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-26.6	172.1	-73.4	-175	-8.5	0	0	112.1	S155 T160	S155-Q157 PolarHBondContact O-N 2.85Å; Q157-T160 PolarHBondContact O-OG1 2.74Å
158	N	42.9	Very low	56.4	Low	73 Å²	73	91.6 Å²	91.6	39%	0.39	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-25.4	179	-75.4	-31.7	0	0	0	113	S154 S155 T160 M161 E162	S154-N158 PolarHBondContact O-ND2 2.97Å; S155-N158 PolarHBondContact O-N 3.33Å; N158-T160 VanDerWaalsContact C-N 3.26Å; N158-T160 PolarHBondContact O-N 3.22Å; N158-M161 PolarHBondContact O-N 3.36Å; N158-E162 WeakPolarHBondContact O-CB 3.45Å; N158-E162 VanDerWaalsContact O-CD 3.32Å; N158-E162 WeakPolarHBondContact O-CG 3.35Å; N158-E162 PolarHBondContact O-N 3.41Å; N158-E162 VanDerWaalsContact O-N 3.11Å
159	T	43.7	Very low	57.8	Low	70 Å²	70	88.5 Å²	88.5	43%	0.429	46%	0.455	S	S	.	.	H	α-helix	trans	-57	-36.9	179.1	8.2	0	0	0	0	112.9	S155 E156	S155-T159 PolarHBondContact O-N 3.1Å; S155-T159 PolarHBondContact O-OG1 2.92Å; E156-T159 WeakPolarHBondContact CA-OG1 3.35Å; E156-T159 PolarHBondContact O-OG1 2.95Å
160	T	45.3	Very low	59.3	Low	92 Å²	92	81.7 Å²	81.7	56%	0.564	43%	0.428	S	S	*	.	H	α-helix	trans	-77.7	-20.3	177.6	67.2	0	0	0	0	114	Q157 N158 R164	Q157-T160 PolarHBondContact O-OG1 2.74Å; N158-T160 VanDerWaalsContact C-N 3.26Å; N158-T160 PolarHBondContact O-N 3.22Å; T160-R164 PolarHBondContact O-NE 3.27Å
161	M	46.8	Very low	61	Low	110 Å²	110	81 Å²	81	54%	0.542	42%	0.422	S	S	.	.	H	α-helix	trans	-84	-21.7	174.5	-73.6	-167.8	104.6	0	0	112.4	N158 R164	N158-M161 PolarHBondContact O-N 3.36Å; M161-R164 WeakPolarHBondContact O-CB 3.12Å; M161-R164 WeakPolarHBondContact O-CG 3.41Å
162	E	52.4	Low	62.8	Low	23 Å²	23	80.8 Å²	80.8	11%	0.107	41%	0.411	C	S	.	.	H	α-helix	trans	-93	-19.9	-166.6	-74.9	168.2	175.7	0	0	115.7	R145 N158	R145-E162 IonicContact CZ-OE1 3.84Å; R145-E162 IonicContact CZ-OE2 2.91Å; R145-E162 IonicContact NH1-OE1 2.7Å; R145-E162 IonicContact NH1-OE2 2.79Å; R145-E162 PolarHBondContact NH1-OE2 3.08Å; R145-E162 IonicContact NH2-OE1 3.62Å; R145-E162 PolarHBondContact NH2-OE1 2.77Å; R145-E162 IonicContact NH2-OE2 3.67Å; R145-E162 PolarHBondContact NH2-OE2 2.9Å; N158-E162 WeakPolarHBondContact O-CB 3.45Å; N158-E162 VanDerWaalsContact O-CD 3.32Å; N158-E162 WeakPolarHBondContact O-CG 3.35Å; N158-E162 PolarHBondContact O-N 3.41Å; N158-E162 VanDerWaalsContact O-N 3.11Å
163	E	59.8	Low	65	Low	138 Å²	138	74.8 Å²	74.8	65%	0.645	38%	0.378	S	S	*	.	S	Bend	trans	-78.9	-8.6	167.4	-66.5	-168.3	162.7	0	0	112.6
164	R	68.5	Low	67.1	Low	138 Å²	138	66.2 Å²	66.2	52%	0.521	34%	0.34	S	S	.	.	S	Bend	trans	-69.3	132.6	-178.6	-59.7	-177.5	-173.5	-173.7	-0.5	109.5	T160 M161 V166	T160-R164 PolarHBondContact O-NE 3.27Å; M161-R164 WeakPolarHBondContact O-CB 3.12Å; M161-R164 WeakPolarHBondContact O-CG 3.41Å; R164-V166 PolarHBondContact O-N 3.34Å
165	P	77.3	Confident	69.4	Low	73 Å²	73	62 Å²	62	47%	0.474	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-65.9	124.5	177.9	28.8	-35	0	0	0	109.7
166	V	81.9	Confident	71.6	Confident	14 Å²	14	62.2 Å²	62.2	9%	0.085	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	147.3	179.3	-175.9	0	0	0	0	109.7	Y138 R139 R141 R164 H168 E223	Y138-V166 WeakPolarHBondContact CA-O 3.5Å; R139-V166 PolarHBondContact N-O 3.41Å; R139-V166 PolarHBondContact O-N 2.73Å; R141-V166 HydrophobicContact CG-CB 4.39Å; R141-V166 HydrophobicContact CG-CG2 3.89Å; R164-V166 PolarHBondContact O-N 3.34Å; V166-H168 PolarHBondContact O-N 2.79Å; V166-H168 PolarHBondContact O-ND1 3.3Å; V166-E223 HydrophobicContact CG1-CG 3.97Å
167	S	86.3	Confident	73.9	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	125.6	174.6	56.9	0	0	0	0	111.6	N104 I224	N104-S167 PolarHBondContact OD1-N 2.87Å; N104-S167 PolarHBondContact OD1-OG 2.82Å; N104-S167 VanDerWaalsContact OD1-OG 3.05Å; S167-I224 WeakPolarHBondContact O-CB 3.37Å; S167-I224 PolarHBondContact O-N 3.34Å
168	H	88.1	Confident	76.4	Confident	21 Å²	21	46.3 Å²	46.3	10%	0.097	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	143.7	172.3	-67.2	63.8	0	0	0	109.6	T136 V137 R139 V166 L221 V222	T136-H168 CarbonylContact C-O 3.58Å; T136-H168 VanDerWaalsContact CA-O 3.3Å; T136-H168 WeakPolarHBondContact CA-O 3.12Å; V137-H168 PolarHBondContact N-O 2.67Å; V137-H168 PolarHBondContact O-N 3.35Å; R139-H168 PolarHBondContact O-CE1 2.99Å; V166-H168 PolarHBondContact O-N 2.79Å; V166-H168 PolarHBondContact O-ND1 3.3Å; H168-L221 HydrophobicContact CB-CB 4.14Å; H168-L221 HydrophobicContact CB-CD2 4.26Å; H168-V222 CarbonylContact C-O 3.58Å; H168-V222 VanDerWaalsContact CA-O 3.29Å; H168-V222 WeakPolarHBondContact CA-O 3.44Å
169	W	89.9	Confident	78.3	Confident	2 Å²	2	43.3 Å²	43.3	1%	0.008	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	134.8	176.6	178.5	-112.7	0	0	0	111.1	V95 L107 M135 S171 L221 V222 I224 V231 N232 L233	V95-W169 HydrophobicContact CB-CZ2 4.32Å; V95-W169 HydrophobicContact CG1-CH2 4.18Å; V95-W169 HydrophobicContact CG1-CZ2 4.4Å; V95-W169 HydrophobicContact CG2-CZ2 4.2Å; L107-W169 HydrophobicContact CB-CZ3 4.26Å; L107-W169 HydrophobicContact CD2-CH2 3.89Å; L107-W169 HydrophobicContact CD2-CZ3 3.54Å; L107-W169 HydrophobicContact CG-CZ3 4.37Å; M135-W169 HydrophobicContact CB-CE3 3.82Å; M135-W169 HydrophobicContact CB-CH2 3.56Å; M135-W169 HydrophobicContact CB-CZ2 4.46Å; M135-W169 HydrophobicContact CB-CZ3 3.18Å; M135-W169 HydrophobicContact CE-CH2 3.85Å; M135-W169 HydrophobicContact CE-CZ2 3.74Å; M135-W169 HydrophobicContact CE-CZ3 4.42Å; M135-W169 HydrophobicContact CG-CH2 3.81Å; M135-W169 HydrophobicContact CG-CZ3 3.96Å; W169-S171 PolarHBondContact O-N 3.43Å; W169-L221 WeakPolarHBondContact O-CA 3.31Å; W169-V222 PolarHBondContact N-O 2.88Å; W169-V222 PolarHBondContact O-N 3.39Å; W169-I224 HydrophobicContact CB-CD1 4.01Å; W169-I224 HydrophobicContact CB-CG1 3.83Å; W169-V231 HydrophobicContact CD2-CG2 3.83Å; W169-V231 HydrophobicContact CE3-CG2 4.47Å; W169-V231 HydrophobicContact CG-CB 4.36Å; W169-V231 HydrophobicContact CG-CG2 4Å; W169-V231 HydrophobicContact CZ2-CG2 4.11Å; W169-N232 PolarHBondContact NE1-O 3.47Å; W169-L233 HydrophobicContact CZ2-CB 4.28Å; W169-L233 HydrophobicContact CZ2-CD1 4.13Å; W169-L233 HydrophobicContact CZ2-CD2 4.43Å
170	R	91.2	Very high	80.3	Confident	47 Å²	47	45 Å²	45	18%	0.177	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	108	168.2	-72.8	171	166.8	-174.9	-14.2	109.5	K134 M135 K172 F216 L221	K134-R170 PolarHBondContact O-NH1 2.82Å; M135-R170 HydrophobicContact CE-CB 3.81Å; M135-R170 WeakPolarHBondContact CE-O 3.37Å; M135-R170 WeakPolarHBondContact O-CG 3.34Å; M135-R170 PolarHBondContact O-N 3.03Å; M135-R170 HydrophobicContact SD-CB 4.5Å; R170-K172 VanDerWaalsContact C-N 3.33Å; R170-K172 PolarHBondContact O-N 3.48Å; R170-F216 HydrophobicContact CG-CD1 4.44Å; R170-L221 HydrophobicContact CG-CD2 3.63Å
171	S	90.3	Very high	82.2	Confident	22 Å²	22	43.8 Å²	43.8	15%	0.154	22%	0.215	C	C	.	.			trans	-77.1	-15.3	-176.5	64.6	0	0	0	0	114.4	W169 D220 L233 T234	W169-S171 PolarHBondContact O-N 3.43Å; S171-D220 WeakPolarHBondContact CB-O 3.3Å; S171-D220 PolarHBondContact N-O 3.37Å; S171-D220 PolarHBondContact OG-O 3.35Å; S171-L233 CarbonylContact O-C 3.36Å; S171-L233 WeakPolarHBondContact O-CA 3.24Å; S171-T234 PolarHBondContact O-N 3.37Å
172	K	91.4	Very high	84.1	Confident	87 Å²	87	39.2 Å²	39.2	38%	0.378	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135.6	-179.1	-60.2	-174.7	-172.4	151.8	0	111.5	R170 D220 T234	R170-K172 VanDerWaalsContact C-N 3.33Å; R170-K172 PolarHBondContact O-N 3.48Å; K172-D220 HydrophobicContact CD-CB 4.41Å; K172-D220 VanDerWaalsContact CE-OD1 3.27Å; K172-D220 WeakPolarHBondContact CE-OD1 3.4Å; K172-D220 HydrophobicContact CG-CB 4.38Å; K172-D220 IonicContact NZ-OD1 2.73Å; K172-D220 PolarHBondContact NZ-OD1 3.41Å; K172-D220 IonicContact NZ-OD2 3.17Å; K172-T234 WeakPolarHBondContact CA-O 3.47Å
173	V	92.1	Very high	85.9	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	126.2	173.2	171.7	0	0	0	0	108.6	L109 M135 L175 L211 F216 L233 T234 L235 M236	L109-V173 HydrophobicContact CD1-CG2 4.37Å; M135-V173 HydrophobicContact CE-CG2 3.34Å; M135-V173 HydrophobicContact SD-CG2 3.6Å; M135-V173 VanDerWaalsContact SD-CG2 3.6Å; V173-L175 HydrophobicContact CG1-CD2 4.2Å; V173-L175 HydrophobicContact CG1-CG 4.38Å; V173-L211 HydrophobicContact CG1-CD1 4.07Å; V173-L211 HydrophobicContact CG1-CG 4.4Å; V173-F216 HydrophobicContact CG2-CE1 3.81Å; V173-F216 HydrophobicContact CG2-CZ 4.29Å; V173-L233 HydrophobicContact CB-CD1 4.35Å; V173-L233 HydrophobicContact CG2-CD1 3.77Å; V173-T234 PolarHBondContact N-O 2.85Å; V173-L235 HydrophobicContact CB-CD1 4.23Å; V173-L235 HydrophobicContact CG1-CD1 4.07Å; V173-L235 WeakPolarHBondContact O-CA 3.42Å; V173-M236 PolarHBondContact O-N 3.29Å
174	T	91.8	Very high	87.1	Confident	19 Å²	19	33.3 Å²	33.3	12%	0.117	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	125.5	174.1	-54.3	0	0	0	0	109.7	R176 D212 M236	T174-R176 HydrophobicContact CG2-CG 4.5Å; T174-D212 HydrophobicContact CG2-CB 4.19Å; T174-D212 WeakPolarHBondContact O-CB 3.21Å; T174-D212 PolarHBondContact O-N 3.41Å; T174-M236 CarbonylContact C-O 3.52Å; T174-M236 VanDerWaalsContact CA-O 3.25Å; T174-M236 WeakPolarHBondContact CA-O 3.47Å; T174-M236 HydrophobicContact CG2-CB 4.44Å
175	L	92.2	Very high	87.9	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	140.2	173.3	-62.7	177.2	0	0	0	108.6	L60 I62 A111 V173 F209 L211 L235 M236 Y237 T238	L60-L175 HydrophobicContact CD1-CD1 4.23Å; L60-L175 HydrophobicContact CD2-CD1 4.28Å; I62-L175 HydrophobicContact CD1-CD1 4.1Å; A111-L175 HydrophobicContact CB-CD1 4.16Å; A111-L175 HydrophobicContact CB-CD2 4.01Å; V173-L175 HydrophobicContact CG1-CD2 4.2Å; V173-L175 HydrophobicContact CG1-CG 4.38Å; L175-F209 HydrophobicContact CB-CE2 3.96Å; L175-F209 HydrophobicContact CB-CZ 4.2Å; L175-F209 HydrophobicContact CD1-CE2 4.27Å; L175-F209 HydrophobicContact CD1-CZ 3.88Å; L175-F209 HydrophobicContact CD2-CE2 4.37Å; L175-F209 HydrophobicContact CD2-CZ 3.78Å; L175-F209 HydrophobicContact CG-CE2 4.43Å; L175-F209 HydrophobicContact CG-CZ 4.16Å; L175-L211 HydrophobicContact CD2-CB 4.09Å; L175-L211 HydrophobicContact CD2-CD1 3.93Å; L175-L211 HydrophobicContact CD2-CG 4.02Å; L175-L235 HydrophobicContact CD1-CD1 3.73Å; L175-L235 HydrophobicContact CD1-CD2 4.32Å; L175-L235 HydrophobicContact CD1-CG 4.31Å; L175-L235 HydrophobicContact CG-CD1 4.03Å; L175-M236 PolarHBondContact N-O 2.96Å; L175-Y237 HydrophobicContact CB-CD2 3.94Å; L175-Y237 VanDerWaalsContact O-CA 3.3Å; L175-Y237 WeakPolarHBondContact O-CA 3.32Å; L175-T238 PolarHBondContact O-N 3.36Å
176	R	92.1	Very high	88.1	Confident	39 Å²	39	27.9 Å²	27.9	15%	0.147	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136.8	178.1	-65.6	-177.4	-177.9	-85.2	0.7	109.3	T174 F209 Y210 D212 T238 T240	T174-R176 HydrophobicContact CG2-CG 4.5Å; R176-F209 WeakPolarHBondContact O-CD2 3.15Å; R176-Y210 PolarHBondContact N-O 2.91Å; R176-Y210 PolarHBondContact O-N 3.25Å; R176-Y210 VanDerWaalsContact O-O 3.09Å; R176-D212 HydrophobicContact CG-CB 4.23Å; R176-D212 IonicContact CZ-OD2 2.91Å; R176-D212 VanDerWaalsContact CZ-OD2 3.32Å; R176-D212 IonicContact NE-OD2 3.19Å; R176-D212 PolarHBondContact NE-OD2 3.34Å; R176-D212 IonicContact NH2-OD2 2.65Å; R176-D212 PolarHBondContact NH2-OD2 2.89Å; R176-T238 WeakPolarHBondContact CA-O 3.41Å; R176-T240 PolarHBondContact NH1-OG1 3.5Å
177	G	90.5	Very high	88	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	148.6	173	0	0	0	0	0	110.8	L208 Y237 T240	G177-L208 CarbonylContact C-O 3.48Å; G177-L208 VanDerWaalsContact CA-O 3.28Å; G177-L208 WeakPolarHBondContact CA-O 3.48Å; G177-Y237 WeakPolarHBondContact CA-OH 3.06Å; G177-T240 PolarHBondContact O-N 3.4Å
178	V	89.8	Confident	87.9	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.018	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	101.6	171.6	-177.1	0	0	0	0	107.7	L50 L208 T240 V242 L245	L50-V178 WeakPolarHBondContact CD1-O 3.36Å; V178-L208 HydrophobicContact CB-CB 4.05Å; V178-L208 HydrophobicContact CG2-CB 3.85Å; V178-L208 HydrophobicContact CG2-CD1 4.19Å; V178-L208 PolarHBondContact N-O 3.2Å; V178-T240 WeakPolarHBondContact CA-O 3.24Å; V178-T240 WeakPolarHBondContact CG2-O 3.41Å; V178-V242 HydrophobicContact CG1-CG2 3.66Å; V178-L245 HydrophobicContact CG2-CB 4.41Å; V178-L245 HydrophobicContact CG2-CD2 3.81Å
179	G	82.8	Confident	87.7	Confident	9 Å²	9	44.7 Å²	44.7	9%	0.093	22%	0.215	C	C	.	.			trans	-87.8	1.2	178.4	0	0	0	0	0	114.8	Q86	Q86-G179 PolarHBondContact NE2-O 2.96Å; Q86-G179 VanDerWaalsContact NE2-O 3.17Å
180	E	85.2	Confident	87.5	Confident	107 Å²	107	45.7 Å²	45.7	50%	0.5	22%	0.222	S	C	.	.	S	Bend	trans	-102.1	132.9	177.7	-67.4	-179.3	-177.9	0	0	111	F182	E180-F182 PolarHBondContact O-N 3.25Å
181	P	86.1	Confident	87.3	Confident	66 Å²	66	47.5 Å²	47.5	43%	0.429	24%	0.24	S	C	.	.			trans	-69.1	123.3	173.9	28.1	-32.6	0	0	0	110.1	L50 E51	L50-P181 HydrophobicContact CB-CB 4.34Å; E51-P181 HydrophobicContact CG-CB 3.88Å
182	F	87.5	Confident	87	Confident	14 Å²	14	48.7 Å²	48.7	6%	0.061	24%	0.243	C	C	.	.			trans	-125.6	115.5	-178.8	-173.3	-87.2	0	0	0	111.6	P29 R31 E180 F184 Y205 V242	P29-F182 HydrophobicContact CB-CE1 4.46Å; P29-F182 HydrophobicContact CB-CZ 3.94Å; P29-F182 HydrophobicContact CG-CE1 4.4Å; P29-F182 HydrophobicContact CG-CE2 4.1Å; P29-F182 HydrophobicContact CG-CZ 3.72Å; R31-F182 HydrophobicContact CG-CD2 4.12Å; R31-F182 HydrophobicContact CG-CE2 3.41Å; R31-F182 VanDerWaalsContact CG-CE2 3.41Å; R31-F182 HydrophobicContact CG-CZ 3.79Å; E180-F182 PolarHBondContact O-N 3.25Å; F182-F184 AromaticContact CD1-CD1 3.82Å; F182-F184 HydrophobicContact CD1-CD1 3.82Å; F182-F184 AromaticContact CD1-CD2 3.94Å; F182-F184 HydrophobicContact CD1-CD2 3.94Å; F182-F184 AromaticContact CD1-CE1 3.69Å; F182-F184 HydrophobicContact CD1-CE1 3.69Å; F182-F184 AromaticContact CD1-CE2 3.81Å; F182-F184 HydrophobicContact CD1-CE2 3.81Å; F182-F184 AromaticContact CD1-CG 3.94Å; F182-F184 HydrophobicContact CD1-CG 3.94Å; F182-F184 AromaticContact CD1-CZ 3.69Å; F182-F184 HydrophobicContact CD1-CZ 3.69Å; F182-F184 AromaticContact CE1-CD1 3.73Å; F182-F184 HydrophobicContact CE1-CD1 3.73Å; F182-F184 AromaticContact CE1-CE1 3.76Å; F182-F184 HydrophobicContact CE1-CE1 3.76Å; F182-F184 HydrophobicContact CE1-CG 4.19Å; F182-F184 HydrophobicContact CE1-CZ 4.24Å; F182-F184 WeakPolarHBondContact O-CD2 3.43Å; F182-F184 PolarHBondContact O-N 2.94Å; F182-Y205 PolarHBondContact N-OH 2.94Å; F182-Y205 WeakPolarHBondContact O-CE1 3.49Å; F182-Y205 PolarHBondContact O-OH 3.34Å; F182-V242 HydrophobicContact CB-CG2 3.54Å; F182-V242 HydrophobicContact CD1-CG1 4.16Å; F182-V242 HydrophobicContact CD1-CG2 4.2Å; F182-V242 HydrophobicContact CD2-CB 4.28Å; F182-V242 HydrophobicContact CD2-CG2 4.13Å; F182-V242 HydrophobicContact CE1-CG1 4.32Å; F182-V242 HydrophobicContact CG-CB 4.19Å; F182-V242 HydrophobicContact CG-CG1 4.34Å; F182-V242 HydrophobicContact CG-CG2 3.7Å
183	P	88.3	Confident	86.8	Confident	27 Å²	27	44.6 Å²	44.6	18%	0.175	23%	0.225	C	C	.	.			trans	-78.5	112.3	179.2	31	-33.4	0	0	0	110.5	R31 C32	R31-P183 HydrophobicContact CB-CG 4.5Å; C32-P183 HydrophobicContact CB-CB 4.17Å; C32-P183 WeakPolarHBondContact CB-O 3.39Å; C32-P183 PolarHBondContact N-O 2.99Å
184	F	86.8	Confident	86.5	Confident	9 Å²	9	49.4 Å²	49.4	4%	0.039	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	149.5	174.7	-68.8	-83.4	0	0	0	111.4	C45 L46 F182 S186 V189 M193 M197 Y205 L208 V242	C45-F184 CarbonylContact C-O 3.54Å; C45-F184 VanDerWaalsContact CA-O 3.28Å; C45-F184 WeakPolarHBondContact CA-O 3.49Å; L46-F184 HydrophobicContact CB-CB 4.27Å; L46-F184 PolarHBondContact N-O 3.28Å; L46-F184 PolarHBondContact O-N 2.93Å; F182-F184 AromaticContact CD1-CD1 3.82Å; F182-F184 HydrophobicContact CD1-CD1 3.82Å; F182-F184 AromaticContact CD1-CD2 3.94Å; F182-F184 HydrophobicContact CD1-CD2 3.94Å; F182-F184 AromaticContact CD1-CE1 3.69Å; F182-F184 HydrophobicContact CD1-CE1 3.69Å; F182-F184 AromaticContact CD1-CE2 3.81Å; F182-F184 HydrophobicContact CD1-CE2 3.81Å; F182-F184 AromaticContact CD1-CG 3.94Å; F182-F184 HydrophobicContact CD1-CG 3.94Å; F182-F184 AromaticContact CD1-CZ 3.69Å; F182-F184 HydrophobicContact CD1-CZ 3.69Å; F182-F184 AromaticContact CE1-CD1 3.73Å; F182-F184 HydrophobicContact CE1-CD1 3.73Å; F182-F184 AromaticContact CE1-CE1 3.76Å; F182-F184 HydrophobicContact CE1-CE1 3.76Å; F182-F184 HydrophobicContact CE1-CG 4.19Å; F182-F184 HydrophobicContact CE1-CZ 4.24Å; F182-F184 WeakPolarHBondContact O-CD2 3.43Å; F182-F184 PolarHBondContact O-N 2.94Å; F184-S186 PolarHBondContact O-N 3.43Å; F184-V189 HydrophobicContact CB-CG2 3.95Å; F184-V189 HydrophobicContact CG-CG2 4.42Å; F184-M193 HydrophobicContact CE1-CE 4.35Å; F184-M193 HydrophobicContact CE1-SD 4.29Å; F184-M193 HydrophobicContact CZ-CE 3.89Å; F184-M193 HydrophobicContact CZ-SD 4.42Å; F184-M197 HydrophobicContact CD1-CE 4.46Å; F184-M197 HydrophobicContact CD2-CE 3.76Å; F184-M197 HydrophobicContact CE1-CE 4.18Å; F184-M197 HydrophobicContact CE2-CE 3.43Å; F184-M197 VanDerWaalsContact CE2-CE 3.43Å; F184-M197 HydrophobicContact CG-CE 4.26Å; F184-M197 HydrophobicContact CZ-CE 3.65Å; F184-Y205 HydrophobicContact CD2-CD1 4.45Å; F184-Y205 AromaticContact CD2-CE1 3.77Å; F184-Y205 HydrophobicContact CD2-CE1 3.77Å; F184-Y205 AromaticContact CD2-CZ 3.87Å; F184-Y205 HydrophobicContact CE2-CE1 4.07Å; F184-Y205 HydrophobicContact CE2-CE2 4.09Å; F184-Y205 AromaticContact CE2-CZ 3.68Å; F184-L208 HydrophobicContact CE2-CD1 4.46Å; F184-L208 HydrophobicContact CZ-CD1 4.31Å; F184-V242 HydrophobicContact CE1-CG1 3.63Å; F184-V242 HydrophobicContact CZ-CB 4.48Å; F184-V242 HydrophobicContact CZ-CG1 3.47Å; F184-V242 VanDerWaalsContact CZ-CG1 3.47Å; F184-V242 HydrophobicContact CZ-CG2 4.12Å
185	V	85	Confident	86.3	Confident	43 Å²	43	54.5 Å²	54.5	26%	0.261	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	118.7	165.2	-179.8	0	0	0	0	107.4	C32 R187 K188 V189	C32-V185 HydrophobicContact CB-CG2 3.75Å; V185-R187 PolarHBondContact O-N 2.54Å; V185-K188 HydrophobicContact CB-CB 4.14Å; V185-K188 HydrophobicContact CB-CG 4.37Å; V185-K188 HydrophobicContact CG1-CB 4.4Å; V185-K188 HydrophobicContact CG1-CG 4.17Å; V185-K188 PolarHBondContact O-N 2.82Å; V185-V189 PolarHBondContact O-N 2.98Å
186	S	80.6	Confident	86.1	Confident	55 Å²	55	54.9 Å²	54.9	39%	0.385	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-28.6	-169.9	-49.2	0	0	0	0	114.1	I43 A44 L46 F184	I43-S186 PolarHBondContact O-OG 3.36Å; A44-S186 PolarHBondContact O-N 2.78Å; A44-S186 PolarHBondContact O-OG 3.09Å; L46-S186 PolarHBondContact N-OG 2.8Å; F184-S186 PolarHBondContact O-N 3.43Å
187	R	80.7	Confident	85.8	Confident	244 Å²	244	53.6 Å²	53.6	92%	0.921	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-14.1	178.3	-64.7	-175.4	-179.1	-176.6	-0.8	115.2	V185	V185-R187 PolarHBondContact O-N 2.54Å
188	K	83.1	Confident	85.7	Confident	134 Å²	134	56.6 Å²	56.6	58%	0.583	29%	0.286	S	S	*	.	S	Bend	trans	-112.5	19	-178.1	-60.1	-172.4	177.9	-174.5	0	112.4	E30 V185 P190	E30-K188 IonicContact OE2-NZ 2.85Å; E30-K188 PolarHBondContact OE2-NZ 2.83Å; V185-K188 HydrophobicContact CB-CB 4.14Å; V185-K188 HydrophobicContact CB-CG 4.37Å; V185-K188 HydrophobicContact CG1-CB 4.4Å; V185-K188 HydrophobicContact CG1-CG 4.17Å; V185-K188 PolarHBondContact O-N 2.82Å; K188-P190 WeakPolarHBondContact O-CD 3.48Å
189	V	85.2	Confident	85.6	Confident	10 Å²	10	62 Å²	62	6%	0.061	31%	0.306	C	S	.	.			trans	-65.3	123	174.4	179.2	0	0	0	0	108.6	L46 F184 V185 Q194 M197	L46-V189 HydrophobicContact CD2-CG2 4.19Å; F184-V189 HydrophobicContact CB-CG2 3.95Å; F184-V189 HydrophobicContact CG-CG2 4.42Å; V185-V189 PolarHBondContact O-N 2.98Å; V189-Q194 HydrophobicContact CG1-CG 3.87Å; V189-Q194 PolarHBondContact O-NE2 2.88Å; V189-M197 HydrophobicContact CG1-CE 3.76Å; V189-M197 HydrophobicContact CG1-SD 3.64Å
190	P	85.5	Confident	85.7	Confident	22 Å²	22	62.3 Å²	62.3	14%	0.143	31%	0.307	C	S	.	.			trans	-56.1	131.2	178.6	-25	33.9	0	0	0	111.1	K188 E192 M193 Q194 H246	K188-P190 WeakPolarHBondContact O-CD 3.48Å; P190-E192 WeakPolarHBondContact CB-OE2 3.44Å; P190-E192 PolarHBondContact O-N 3.35Å; P190-E192 VanDerWaalsContact O-N 3.14Å; P190-M193 HydrophobicContact CB-CG 4.19Å; P190-M193 HydrophobicContact CB-SD 4.45Å; P190-M193 HydrophobicContact CG-CG 4.48Å; P190-M193 HydrophobicContact CG-SD 4.11Å; P190-M193 PolarHBondContact O-N 3.26Å; P190-Q194 PolarHBondContact O-N 3.43Å; P190-H246 WeakPolarHBondContact CB-NE2 3.25Å
191	P	85.8	Confident	85.6	Confident	86 Å²	86	66.8 Å²	66.8	56%	0.558	33%	0.328	S	S	*	.	H	α-helix	trans	-59.1	-29.3	-176.7	23.6	-32.5	0	0	0	112.3	M193 Q194	P191-M193 PolarHBondContact O-N 3.18Å; P191-Q194 PolarHBondContact O-N 3.48Å
192	E	85.1	Confident	85.4	Confident	47 Å²	47	71 Å²	71	22%	0.22	34%	0.336	C	S	.	.	H	α-helix	trans	-66.5	-22.8	176	-54.3	76.8	-164.6	0	0	112.6	P190 H195 H246 L249 L253	P190-E192 WeakPolarHBondContact CB-OE2 3.44Å; P190-E192 PolarHBondContact O-N 3.35Å; P190-E192 VanDerWaalsContact O-N 3.14Å; E192-H195 PolarHBondContact O-CE1 2.95Å; E192-H195 PolarHBondContact O-ND1 2.95Å; E192-H246 IonicContact OE2-NE2 3.4Å; E192-L249 HydrophobicContact CB-CB 4.17Å; E192-L253 HydrophobicContact CB-CD1 4.49Å; E192-L253 HydrophobicContact CG-CD1 3.39Å
193	M	87.3	Confident	85.2	Confident	1 Å²	1	77 Å²	77	1%	0.005	37%	0.368	C	S	.	.	H	α-helix	trans	-93.2	-21.8	179	-64.3	-172.3	70.5	0	0	112.7	F184 P190 P191 H195 L196 M197 L208 V242 L245 H246 L249	F184-M193 HydrophobicContact CE1-CE 4.35Å; F184-M193 HydrophobicContact CE1-SD 4.29Å; F184-M193 HydrophobicContact CZ-CE 3.89Å; F184-M193 HydrophobicContact CZ-SD 4.42Å; P190-M193 HydrophobicContact CB-CG 4.19Å; P190-M193 HydrophobicContact CB-SD 4.45Å; P190-M193 HydrophobicContact CG-CG 4.48Å; P190-M193 HydrophobicContact CG-SD 4.11Å; P190-M193 PolarHBondContact O-N 3.26Å; P191-M193 PolarHBondContact O-N 3.18Å; M193-H195 PolarHBondContact O-N 3.4Å; M193-L196 WeakPolarHBondContact O-CB 3.25Å; M193-L196 PolarHBondContact O-N 2.96Å; M193-M197 HydrophobicContact CB-CE 4.24Å; M193-M197 HydrophobicContact CE-CE 4.41Å; M193-M197 PolarHBondContact O-N 3.24Å; M193-L208 HydrophobicContact CE-CD1 3.29Å; M193-V242 HydrophobicContact CE-CG1 4.09Å; M193-V242 HydrophobicContact SD-CG1 4.41Å; M193-L245 HydrophobicContact CE-CD2 4.16Å; M193-H246 HydrophobicContact SD-CB 4.09Å; M193-L249 HydrophobicContact CG-CD1 3.76Å
194	Q	85.9	Confident	85.1	Confident	102 Å²	102	77.9 Å²	77.9	48%	0.477	37%	0.368	S	S	.	.	H	α-helix	trans	-57.8	-35.6	-174.9	-67.2	177.8	6.2	0	0	112.6	V189 P190 P191 L196 M197	V189-Q194 HydrophobicContact CG1-CG 3.87Å; V189-Q194 PolarHBondContact O-NE2 2.88Å; P190-Q194 PolarHBondContact O-N 3.43Å; P191-Q194 PolarHBondContact O-N 3.48Å; Q194-L196 PolarHBondContact O-N 2.59Å; Q194-M197 PolarHBondContact O-N 3.48Å
195	H	86.3	Confident	85.2	Confident	125 Å²	125	77.6 Å²	77.6	58%	0.579	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-13.1	178.5	76.1	-83.8	0	0	0	114.7	E192 M193	E192-H195 PolarHBondContact O-CE1 2.95Å; E192-H195 PolarHBondContact O-ND1 2.95Å; M193-H195 PolarHBondContact O-N 3.4Å
196	L	87.9	Confident	85.4	Confident	8 Å²	8	76.7 Å²	76.7	4%	0.042	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-14.9	176.3	-58.7	175.7	0	0	0	112.2	Q131 M193 Q194 L208 Y210 L245 L249	Q131-L196 VanDerWaalsContact NE2-CD2 3.31Å; M193-L196 WeakPolarHBondContact O-CB 3.25Å; M193-L196 PolarHBondContact O-N 2.96Å; Q194-L196 PolarHBondContact O-N 2.59Å; L196-L208 HydrophobicContact CB-CD2 4.41Å; L196-Y210 HydrophobicContact CD1-CD2 3.86Å; L196-Y210 HydrophobicContact CD1-CG 4.4Å; L196-Y210 HydrophobicContact CD2-CD2 3.96Å; L196-L245 HydrophobicContact CD1-CD2 4.43Å; L196-L249 HydrophobicContact CD1-CD1 3.88Å; L196-L249 HydrophobicContact CD1-CD2 4.18Å
197	M	87.1	Confident	85.7	Confident	12 Å²	12	74.1 Å²	74.1	6%	0.059	34%	0.341	C	S	.	.			trans	-85.1	115.3	-177.5	-72.3	179.7	177	0	0	110.1	L46 F184 V189 M193 Q194 Y199 L208	L46-M197 HydrophobicContact CD2-SD 4.17Å; F184-M197 HydrophobicContact CD1-CE 4.46Å; F184-M197 HydrophobicContact CD2-CE 3.76Å; F184-M197 HydrophobicContact CE1-CE 4.18Å; F184-M197 HydrophobicContact CE2-CE 3.43Å; F184-M197 VanDerWaalsContact CE2-CE 3.43Å; F184-M197 HydrophobicContact CG-CE 4.26Å; F184-M197 HydrophobicContact CZ-CE 3.65Å; V189-M197 HydrophobicContact CG1-CE 3.76Å; V189-M197 HydrophobicContact CG1-SD 3.64Å; M193-M197 HydrophobicContact CB-CE 4.24Å; M193-M197 HydrophobicContact CE-CE 4.41Å; M193-M197 PolarHBondContact O-N 3.24Å; Q194-M197 PolarHBondContact O-N 3.48Å; M197-Y199 HydrophobicContact CB-CE2 4.36Å; M197-L208 HydrophobicContact CE-CD1 4.45Å; M197-L208 HydrophobicContact CE-CD2 4.25Å; M197-L208 HydrophobicContact CG-CD2 3.63Å
198	V	87.6	Confident	86.2	Confident	65 Å²	65	62.5 Å²	62.5	39%	0.394	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-101.8	130	166.6	-176.5	0	0	0	0	107.5	L129 Y205 Y206	L129-V198 HydrophobicContact CD2-CB 4.13Å; L129-V198 HydrophobicContact CD2-CG2 3.9Å; V198-Y205 WeakPolarHBondContact O-CA 3.5Å; V198-Y206 HydrophobicContact CB-CD2 3.98Å; V198-Y206 HydrophobicContact CG1-CD2 3.82Å; V198-Y206 HydrophobicContact CG1-CE2 4.25Å; V198-Y206 WeakPolarHBondContact O-CD2 2.98Å; V198-Y206 PolarHBondContact O-N 3.27Å
199	Y	87.1	Confident	86.6	Confident	115 Å²	115	56.3 Å²	56.3	45%	0.451	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-94.3	138.5	-179.2	-58.1	-85	0	0	0	110.6	L46 M197 R204	L46-Y199 HydrophobicContact CD1-CD1 4.05Å; L46-Y199 HydrophobicContact CD1-CE1 3.74Å; L46-Y199 HydrophobicContact CD2-CE1 3.74Å; L46-Y199 HydrophobicContact CG-CE1 4.39Å; M197-Y199 HydrophobicContact CB-CE2 4.36Å; Y199-R204 CarbonylContact C-O 3.48Å; Y199-R204 WeakPolarHBondContact CA-O 3.44Å
200	S	85.6	Confident	86.8	Confident	16 Å²	16	55.9 Å²	55.9	11%	0.112	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-77.4	162.6	167.9	178.6	0	0	0	0	110.1	R202 D203 R204	S200-R202 PolarHBondContact O-N 3.34Å; S200-D203 PolarHBondContact O-N 3.18Å; S200-D203 VanDerWaalsContact O-N 3.13Å; S200-R204 PolarHBondContact N-O 3.31Å
201	E	82.7	Confident	87.1	Confident	201 Å²	201	54.8 Å²	54.8	94%	0.939	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-16.9	173.9	-61.6	-177.2	168.3	0	0	113.1
202	R	81.8	Confident	87.2	Confident	156 Å²	156	51 Å²	51	59%	0.589	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	14.1	178.6	-60.3	176.9	179	167.3	-5.5	114.4	E49 S200 R204	E49-R202 IonicContact OE1-CZ 3.13Å; E49-R202 IonicContact OE1-NH1 3.66Å; E49-R202 PolarHBondContact OE1-NH1 2.99Å; S200-R202 PolarHBondContact O-N 3.34Å; R202-R204 PolarHBondContact O-N 2.93Å
203	D	82.9	Confident	87.2	Confident	138 Å²	138	52 Å²	52	74%	0.738	24%	0.237	S	C	*	.	S	Bend	trans	56.2	29.5	-173.3	-71.5	-31.4	0	0	0	114	L46 S200	L46-D203 WeakPolarHBondContact CD1-O 3.26Å; S200-D203 PolarHBondContact O-N 3.18Å; S200-D203 VanDerWaalsContact O-N 3.13Å
204	R	86.4	Confident	86.9	Confident	47 Å²	47	52.9 Å²	52.9	18%	0.177	24%	0.242	C	C	.	.			trans	-110.9	153.2	175.3	-72.7	175.6	177.4	-115.5	7.1	109.9	R47 S48 E49 E51 Y199 S200 R202	R47-R204 WeakPolarHBondContact O-CA 3.48Å; R47-R204 WeakPolarHBondContact O-CB 3.09Å; S48-R204 PolarHBondContact O-NH1 2.88Å; E49-R204 WeakPolarHBondContact OE2-CB 3.35Å; E49-R204 WeakPolarHBondContact OE2-CD 3.45Å; E51-R204 IonicContact OE2-CZ 2.99Å; E51-R204 IonicContact OE2-NH1 3.75Å; E51-R204 PolarHBondContact OE2-NH1 2.86Å; E51-R204 IonicContact OE2-NH2 2.71Å; Y199-R204 CarbonylContact C-O 3.48Å; Y199-R204 WeakPolarHBondContact CA-O 3.44Å; S200-R204 PolarHBondContact N-O 3.31Å; R202-R204 PolarHBondContact O-N 2.93Å
205	Y	89.1	Confident	86.7	Confident	2 Å²	2	49 Å²	49	1%	0.008	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-97.3	138.9	179.4	75.7	-81.9	0	0	0	111.6	L46 R47 S48 E49 F182 F184 V198 L208	L46-Y205 HydrophobicContact CD1-CD1 4.26Å; L46-Y205 HydrophobicContact CD2-CD1 4.17Å; L46-Y205 HydrophobicContact CG-CD1 3.75Å; L46-Y205 HydrophobicContact CG-CE1 4.49Å; R47-Y205 VanDerWaalsContact C-CD1 3.41Å; R47-Y205 WeakPolarHBondContact O-CD1 3.35Å; R47-Y205 PolarHBondContact O-N 3.33Å; S48-Y205 VanDerWaalsContact CA-CE1 3.48Å; S48-Y205 WeakPolarHBondContact CA-O 3.43Å; S48-Y205 VanDerWaalsContact CB-CZ 3.47Å; S48-Y205 WeakPolarHBondContact CB-OH 3.27Å; S48-Y205 VanDerWaalsContact N-CE1 3.27Å; S48-Y205 PolarHBondContact OG-O 2.77Å; E49-Y205 PolarHBondContact N-O 2.86Å; F182-Y205 PolarHBondContact N-OH 2.94Å; F182-Y205 WeakPolarHBondContact O-CE1 3.49Å; F182-Y205 PolarHBondContact O-OH 3.34Å; F184-Y205 HydrophobicContact CD2-CD1 4.45Å; F184-Y205 AromaticContact CD2-CE1 3.77Å; F184-Y205 HydrophobicContact CD2-CE1 3.77Å; F184-Y205 AromaticContact CD2-CZ 3.87Å; F184-Y205 HydrophobicContact CE2-CE1 4.07Å; F184-Y205 HydrophobicContact CE2-CE2 4.09Å; F184-Y205 AromaticContact CE2-CZ 3.68Å; V198-Y205 WeakPolarHBondContact O-CA 3.5Å; Y205-L208 HydrophobicContact CD2-CD2 4.25Å; Y205-L208 HydrophobicContact CD2-CG 4.43Å; Y205-L208 HydrophobicContact CE2-CD2 4.45Å; Y205-L208 HydrophobicContact CE2-CG 4.16Å
206	Y	89.1	Confident	86.6	Confident	25 Å²	25	43.6 Å²	43.6	10%	0.098	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-67.7	161.8	172.1	-74.1	-63.6	0	0	0	111.6	E49 Y55 W127 V198 L208	E49-Y206 HydrophobicContact CB-CD1 4.4Å; E49-Y206 HydrophobicContact CG-CE1 4.5Å; Y55-Y206 HydrophobicContact CE1-CD1 4.02Å; Y55-Y206 HydrophobicContact CE1-CE1 4.08Å; W127-Y206 HydrophobicContact CB-CD2 4.48Å; W127-Y206 HydrophobicContact CB-CE1 3.94Å; W127-Y206 HydrophobicContact CB-CE2 3.77Å; W127-Y206 VanDerWaalsContact CB-CZ 3.45Å; W127-Y206 WeakPolarHBondContact CB-OH 3.46Å; W127-Y206 AromaticContact CD1-CE1 3.49Å; W127-Y206 VanDerWaalsContact CD1-CE1 3.49Å; W127-Y206 AromaticContact CD1-CZ 3.71Å; W127-Y206 AromaticContact CD2-CD1 3.63Å; W127-Y206 HydrophobicContact CD2-CD1 3.63Å; W127-Y206 AromaticContact CD2-CE1 3.45Å; W127-Y206 HydrophobicContact CD2-CE1 3.45Å; W127-Y206 VanDerWaalsContact CD2-CE1 3.45Å; W127-Y206 HydrophobicContact CD2-CG 4.29Å; W127-Y206 AromaticContact CD2-CZ 3.97Å; W127-Y206 AromaticContact CE2-CD1 3.93Å; W127-Y206 AromaticContact CE2-CE1 3.7Å; W127-Y206 AromaticContact CE3-CD1 3.76Å; W127-Y206 HydrophobicContact CE3-CD1 3.76Å; W127-Y206 HydrophobicContact CE3-CE1 4.06Å; W127-Y206 HydrophobicContact CE3-CG 4.06Å; W127-Y206 HydrophobicContact CG-CD1 4.02Å; W127-Y206 AromaticContact CG-CE1 3.36Å; W127-Y206 HydrophobicContact CG-CE1 3.36Å; W127-Y206 HydrophobicContact CG-CE2 4.13Å; W127-Y206 AromaticContact CG-CZ 3.42Å; W127-Y206 VanDerWaalsContact CG-CZ 3.42Å; W127-Y206 HydrophobicContact CH2-CD1 4.47Å; W127-Y206 HydrophobicContact CZ2-CD1 4.37Å; W127-Y206 HydrophobicContact CZ3-CD1 4.18Å; W127-Y206 AromaticContact NE1-CE1 3.67Å; V198-Y206 HydrophobicContact CB-CD2 3.98Å; V198-Y206 HydrophobicContact CG1-CD2 3.82Å; V198-Y206 HydrophobicContact CG1-CE2 4.25Å; V198-Y206 WeakPolarHBondContact O-CD2 2.98Å; V198-Y206 PolarHBondContact O-N 3.27Å; Y206-L208 PolarHBondContact O-N 3.27Å
207	P	88.6	Confident	86.2	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-49	142.1	177.3	-20.2	22.9	0	0	0	112.6	L50 L58 M85 L129 F209	L50-P207 HydrophobicContact CD1-CB 3.93Å; L50-P207 HydrophobicContact CD1-CG 4.12Å; L50-P207 HydrophobicContact CD2-CB 4.28Å; L50-P207 HydrophobicContact CD2-CG 3.74Å; L50-P207 HydrophobicContact CG-CB 4.14Å; L50-P207 HydrophobicContact CG-CG 3.75Å; L58-P207 HydrophobicContact CD1-CG 4.43Å; M85-P207 HydrophobicContact CE-CB 3.44Å; M85-P207 VanDerWaalsContact CE-CB 3.44Å; M85-P207 HydrophobicContact CE-CG 3.98Å; M85-P207 HydrophobicContact SD-CB 3.51Å; M85-P207 VanDerWaalsContact SD-CB 3.51Å; M85-P207 HydrophobicContact SD-CG 4.3Å; L129-P207 HydrophobicContact CD1-CB 4.28Å; L129-P207 WeakPolarHBondContact CD1-O 3.47Å; P207-F209 PolarHBondContact O-N 3.31Å
208	L	89.9	Confident	85.9	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	121.1	177.4	-59.9	174.2	0	0	0	109.2	G177 V178 F184 M193 L196 M197 Y205 Y206 L245	G177-L208 CarbonylContact C-O 3.48Å; G177-L208 VanDerWaalsContact CA-O 3.28Å; G177-L208 WeakPolarHBondContact CA-O 3.48Å; V178-L208 HydrophobicContact CB-CB 4.05Å; V178-L208 HydrophobicContact CG2-CB 3.85Å; V178-L208 HydrophobicContact CG2-CD1 4.19Å; V178-L208 PolarHBondContact N-O 3.2Å; F184-L208 HydrophobicContact CE2-CD1 4.46Å; F184-L208 HydrophobicContact CZ-CD1 4.31Å; M193-L208 HydrophobicContact CE-CD1 3.29Å; L196-L208 HydrophobicContact CB-CD2 4.41Å; M197-L208 HydrophobicContact CE-CD1 4.45Å; M197-L208 HydrophobicContact CE-CD2 4.25Å; M197-L208 HydrophobicContact CG-CD2 3.63Å; Y205-L208 HydrophobicContact CD2-CD2 4.25Å; Y205-L208 HydrophobicContact CD2-CG 4.43Å; Y205-L208 HydrophobicContact CE2-CD2 4.45Å; Y205-L208 HydrophobicContact CE2-CG 4.16Å; Y206-L208 PolarHBondContact O-N 3.27Å; L208-L245 HydrophobicContact CB-CD2 4.03Å; L208-L245 HydrophobicContact CD1-CD2 4.1Å
209	F	90.8	Very high	85.3	Confident	3 Å²	3	46.8 Å²	46.8	1%	0.013	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	126.4	178.1	179.3	-114.3	0	0	0	110.1	L60 A111 V113 L129 Q131 L175 R176 P207 Y237	L60-F209 HydrophobicContact CD1-CE2 4.47Å; L60-F209 HydrophobicContact CD1-CZ 4.15Å; A111-F209 HydrophobicContact CB-CE1 3.87Å; A111-F209 HydrophobicContact CB-CZ 3.88Å; V113-F209 HydrophobicContact CG2-CB 4.46Å; V113-F209 HydrophobicContact CG2-CD1 3.93Å; V113-F209 HydrophobicContact CG2-CD2 3.77Å; V113-F209 HydrophobicContact CG2-CE1 4.03Å; V113-F209 HydrophobicContact CG2-CE2 3.86Å; V113-F209 HydrophobicContact CG2-CG 3.79Å; V113-F209 HydrophobicContact CG2-CZ 3.99Å; L129-F209 HydrophobicContact CB-CB 4.31Å; L129-F209 HydrophobicContact CD1-CB 4.05Å; Q131-F209 HydrophobicContact CB-CD1 4.19Å; Q131-F209 HydrophobicContact CB-CE1 3.9Å; Q131-F209 HydrophobicContact CG-CD1 3.54Å; Q131-F209 HydrophobicContact CG-CE1 3.76Å; Q131-F209 HydrophobicContact CG-CG 4.47Å; Q131-F209 PolarHBondContact NE2-O 2.9Å; L175-F209 HydrophobicContact CB-CE2 3.96Å; L175-F209 HydrophobicContact CB-CZ 4.2Å; L175-F209 HydrophobicContact CD1-CE2 4.27Å; L175-F209 HydrophobicContact CD1-CZ 3.88Å; L175-F209 HydrophobicContact CD2-CE2 4.37Å; L175-F209 HydrophobicContact CD2-CZ 3.78Å; L175-F209 HydrophobicContact CG-CE2 4.43Å; L175-F209 HydrophobicContact CG-CZ 4.16Å; R176-F209 WeakPolarHBondContact O-CD2 3.15Å; P207-F209 PolarHBondContact O-N 3.31Å; F209-Y237 HydrophobicContact CE2-CE2 4.47Å
210	Y	90.9	Very high	85.1	Confident	1 Å²	1	42.8 Å²	42.8	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	131.7	-171.6	179.3	-109.1	0	0	0	110.8	R176 L196 W213 L245 L249 R252	R176-Y210 PolarHBondContact N-O 2.91Å; R176-Y210 PolarHBondContact O-N 3.25Å; R176-Y210 VanDerWaalsContact O-O 3.09Å; L196-Y210 HydrophobicContact CD1-CD2 3.86Å; L196-Y210 HydrophobicContact CD1-CG 4.4Å; L196-Y210 HydrophobicContact CD2-CD2 3.96Å; Y210-W213 AromaticContact CZ-CD1 3.93Å; Y210-L245 HydrophobicContact CD1-CD1 3.77Å; Y210-L245 HydrophobicContact CG-CD1 3.85Å; Y210-L249 HydrophobicContact CD2-CD2 4.11Å; Y210-L249 HydrophobicContact CE2-CD2 3.59Å; Y210-R252 WeakPolarHBondContact OH-CD 3.38Å; Y210-R252 PolarHBondContact OH-NH1 3.17Å
211	L	91.1	Very high	85.1	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	122.9	169.4	-176.5	147.6	0	0	0	108.8	L109 Q131 A133 V173 L175 W213 F216	L109-L211 HydrophobicContact CD2-CD1 4.32Å; Q131-L211 HydrophobicContact CB-CB 3.93Å; Q131-L211 HydrophobicContact CG-CB 4.45Å; A133-L211 HydrophobicContact CB-CD1 3.46Å; A133-L211 VanDerWaalsContact CB-CD1 3.46Å; A133-L211 HydrophobicContact CB-CD2 3.78Å; A133-L211 HydrophobicContact CB-CG 4.28Å; V173-L211 HydrophobicContact CG1-CD1 4.07Å; V173-L211 HydrophobicContact CG1-CG 4.4Å; L175-L211 HydrophobicContact CD2-CB 4.09Å; L175-L211 HydrophobicContact CD2-CD1 3.93Å; L175-L211 HydrophobicContact CD2-CG 4.02Å; L211-W213 HydrophobicContact CD2-CD2 4.02Å; L211-W213 HydrophobicContact CD2-CG 4.17Å; L211-W213 HydrophobicContact CD2-CZ2 4.41Å; L211-W213 PolarHBondContact O-N 2.78Å; L211-F216 HydrophobicContact CD2-CE2 3.63Å; L211-F216 HydrophobicContact CD2-CZ 3.7Å
212	D	88	Confident	85.2	Confident	6 Å²	6	37.3 Å²	37.3	3%	0.032	18%	0.181	C	C	.	.			trans	-77	92.3	-176.4	-171.4	2.1	0	0	0	111.2	T174 R176 L214 G215	T174-D212 HydrophobicContact CG2-CB 4.19Å; T174-D212 WeakPolarHBondContact O-CB 3.21Å; T174-D212 PolarHBondContact O-N 3.41Å; R176-D212 HydrophobicContact CG-CB 4.23Å; R176-D212 IonicContact CZ-OD2 2.91Å; R176-D212 VanDerWaalsContact CZ-OD2 3.32Å; R176-D212 IonicContact NE-OD2 3.19Å; R176-D212 PolarHBondContact NE-OD2 3.34Å; R176-D212 IonicContact NH2-OD2 2.65Å; R176-D212 PolarHBondContact NH2-OD2 2.89Å; D212-L214 PolarHBondContact O-N 2.85Å; D212-L214 VanDerWaalsContact OD1-CB 3.25Å; D212-L214 WeakPolarHBondContact OD1-CB 3.48Å; D212-L214 PolarHBondContact OD1-N 3.49Å; D212-G215 PolarHBondContact O-N 3.31Å
213	W	84.1	Confident	85.4	Confident	68 Å²	68	33 Å²	33	26%	0.258	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-64.6	-22.3	176.1	-66.7	86	0	0	0	113.4	T132 A133 Y210 L211 G215 F216	T132-W213 WeakPolarHBondContact O-CZ2 3.49Å; A133-W213 HydrophobicContact CB-CH2 3.95Å; A133-W213 HydrophobicContact CB-CZ2 4.2Å; A133-W213 HydrophobicContact CB-CZ3 4.39Å; Y210-W213 AromaticContact CZ-CD1 3.93Å; L211-W213 HydrophobicContact CD2-CD2 4.02Å; L211-W213 HydrophobicContact CD2-CG 4.17Å; L211-W213 HydrophobicContact CD2-CZ2 4.41Å; L211-W213 PolarHBondContact O-N 2.78Å; W213-G215 VanDerWaalsContact C-N 3.25Å; W213-F216 HydrophobicContact CB-CD2 4.48Å; W213-F216 HydrophobicContact CD2-CD2 4.36Å; W213-F216 HydrophobicContact CD2-CE2 4.05Å; W213-F216 AromaticContact CE3-CD2 3.7Å; W213-F216 HydrophobicContact CE3-CD2 3.7Å; W213-F216 AromaticContact CE3-CE2 3.5Å; W213-F216 HydrophobicContact CE3-CE2 3.5Å; W213-F216 HydrophobicContact CZ3-CD2 4.34Å; W213-F216 AromaticContact CZ3-CE2 3.88Å; W213-F216 HydrophobicContact CZ3-CE2 3.88Å; W213-F216 PolarHBondContact O-N 3.38Å
214	L	82.8	Confident	85.4	Confident	20 Å²	20	26.7 Å²	26.7	11%	0.105	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-74.7	-21.4	178.7	-55.3	174.5	0	0	0	110.8	D212 F216 L248 M251 R252 L255 L272	D212-L214 PolarHBondContact O-N 2.85Å; D212-L214 VanDerWaalsContact OD1-CB 3.25Å; D212-L214 WeakPolarHBondContact OD1-CB 3.48Å; D212-L214 PolarHBondContact OD1-N 3.49Å; L214-F216 PolarHBondContact O-N 3.18Å; L214-L248 HydrophobicContact CD1-CB 4.21Å; L214-L248 HydrophobicContact CD1-CD2 3.78Å; L214-M251 HydrophobicContact CD1-CE 3.81Å; L214-M251 HydrophobicContact CD1-CG 4.3Å; L214-M251 HydrophobicContact CD1-SD 3.83Å; L214-R252 HydrophobicContact CD2-CB 4.07Å; L214-L255 HydrophobicContact CD2-CD1 3.8Å; L214-L272 HydrophobicContact CB-CD2 3.85Å; L214-L272 HydrophobicContact CD2-CD2 4.02Å; L214-L272 HydrophobicContact CG-CD2 4.34Å; L214-L272 WeakPolarHBondContact O-CD1 3.32Å
215	G	80.7	Confident	85.2	Confident	21 Å²	21	27.6 Å²	27.6	22%	0.216	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-70.9	-10.4	172.1	0	0	0	0	0	114.4	D212 W213 R217	D212-G215 PolarHBondContact O-N 3.31Å; W213-G215 VanDerWaalsContact C-N 3.25Å; G215-R217 PolarHBondContact O-N 2.9Å
216	F	84.3	Confident	84.6	Confident	10 Å²	10	30.7 Å²	30.7	4%	0.044	17%	0.17	C	C	.	.			trans	-79.9	82.2	-179.8	-68.1	-39.3	0	0	0	112.7	A133 R170 V173 L211 W213 L214	A133-F216 HydrophobicContact CB-CE2 4.16Å; A133-F216 HydrophobicContact CB-CZ 3.95Å; R170-F216 HydrophobicContact CG-CD1 4.44Å; V173-F216 HydrophobicContact CG2-CE1 3.81Å; V173-F216 HydrophobicContact CG2-CZ 4.29Å; L211-F216 HydrophobicContact CD2-CE2 3.63Å; L211-F216 HydrophobicContact CD2-CZ 3.7Å; W213-F216 HydrophobicContact CB-CD2 4.48Å; W213-F216 HydrophobicContact CD2-CD2 4.36Å; W213-F216 HydrophobicContact CD2-CE2 4.05Å; W213-F216 AromaticContact CE3-CD2 3.7Å; W213-F216 HydrophobicContact CE3-CD2 3.7Å; W213-F216 AromaticContact CE3-CE2 3.5Å; W213-F216 HydrophobicContact CE3-CE2 3.5Å; W213-F216 HydrophobicContact CZ3-CD2 4.34Å; W213-F216 AromaticContact CZ3-CE2 3.88Å; W213-F216 HydrophobicContact CZ3-CE2 3.88Å; W213-F216 PolarHBondContact O-N 3.38Å; L214-F216 PolarHBondContact O-N 3.18Å
217	R	80.3	Confident	84.2	Confident	56 Å²	56	36.6 Å²	36.6	21%	0.211	20%	0.203	C	C	.	.			trans	-79.4	146.6	176.7	-60.1	169.1	85.6	159.4	-3.2	111.5	G215 D219 N273 D277	G215-R217 PolarHBondContact O-N 2.9Å; R217-D219 PolarHBondContact O-N 3.46Å; R217-N273 VanDerWaalsContact CZ-CG 3.47Å; R217-N273 PolarHBondContact NE-OD1 3.24Å; R217-N273 PolarHBondContact NH2-ND2 3.49Å; R217-N273 PolarHBondContact NH2-OD1 2.89Å; R217-D277 IonicContact CZ-OD2 2.65Å; R217-D277 IonicContact NH1-OD1 3.21Å; R217-D277 PolarHBondContact NH1-OD1 3.38Å; R217-D277 IonicContact NH1-OD2 3.87Å; R217-D277 PolarHBondContact NH1-OD2 3Å; R217-D277 IonicContact NH2-OD2 3.61Å; R217-D277 PolarHBondContact NH2-OD2 3.44Å
218	T	79.4	Confident	83.8	Confident	19 Å²	19	37.8 Å²	37.8	12%	0.117	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-59.4	-35.4	169.9	-74.3	0	0	0	0	112.6	R139 D220 L221 D269	R139-T218 PolarHBondContact NH1-OG1 2.99Å; R139-T218 PolarHBondContact NH2-OG1 3.36Å; T218-D220 PolarHBondContact O-N 3.42Å; T218-L221 WeakPolarHBondContact O-CB 3.33Å; T218-L221 WeakPolarHBondContact O-CG 3.25Å; T218-L221 PolarHBondContact O-N 3.28Å; T218-D269 WeakPolarHBondContact CA-OD2 3.13Å; T218-D269 WeakPolarHBondContact CB-OD2 3.26Å; T218-D269 PolarHBondContact N-OD2 2.9Å; T218-D269 PolarHBondContact OG1-OD2 3.25Å
219	D	75	Confident	83.5	Confident	78 Å²	78	41 Å²	41	42%	0.417	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-70.9	-21.2	-172.1	-62.8	-19.6	0	0	0	112.3	R217 L221 R483	R217-D219 PolarHBondContact O-N 3.46Å; D219-L221 VanDerWaalsContact C-N 3.32Å; D219-L221 PolarHBondContact O-N 2.78Å; D219-R483 IonicContact OD1-NH1 3.14Å; D219-R483 IonicContact OD2-CZ 2.72Å; D219-R483 VanDerWaalsContact OD2-CZ 3.28Å; D219-R483 IonicContact OD2-NH1 2.65Å; D219-R483 PolarHBondContact OD2-NH1 2.92Å; D219-R483 IonicContact OD2-NH2 3.68Å; D219-R483 PolarHBondContact OD2-NH2 3.48Å
220	D	83.3	Confident	83.3	Confident	30 Å²	30	46.6 Å²	46.6	16%	0.16	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-89.8	8.5	178.9	-63.6	-46	0	0	0	113.4	S171 K172 T218	S171-D220 WeakPolarHBondContact CB-O 3.3Å; S171-D220 PolarHBondContact N-O 3.37Å; S171-D220 PolarHBondContact OG-O 3.35Å; K172-D220 HydrophobicContact CD-CB 4.41Å; K172-D220 VanDerWaalsContact CE-OD1 3.27Å; K172-D220 WeakPolarHBondContact CE-OD1 3.4Å; K172-D220 HydrophobicContact CG-CB 4.38Å; K172-D220 IonicContact NZ-OD1 2.73Å; K172-D220 PolarHBondContact NZ-OD1 3.41Å; K172-D220 IonicContact NZ-OD2 3.17Å; T218-D220 PolarHBondContact O-N 3.42Å
221	L	85	Confident	83.2	Confident	29 Å²	29	47.3 Å²	47.3	15%	0.152	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	123.9	179.2	-69.2	173.2	0	0	0	111.2	V137 H168 W169 R170 T218 D219	V137-L221 HydrophobicContact CB-CD2 4.44Å; V137-L221 HydrophobicContact CG2-CD2 4.44Å; H168-L221 HydrophobicContact CB-CB 4.14Å; H168-L221 HydrophobicContact CB-CD2 4.26Å; W169-L221 WeakPolarHBondContact O-CA 3.31Å; R170-L221 HydrophobicContact CG-CD2 3.63Å; T218-L221 WeakPolarHBondContact O-CB 3.33Å; T218-L221 WeakPolarHBondContact O-CG 3.25Å; T218-L221 PolarHBondContact O-N 3.28Å; D219-L221 VanDerWaalsContact C-N 3.32Å; D219-L221 PolarHBondContact O-N 2.78Å
222	V	86.5	Confident	83.3	Confident	74 Å²	74	51.8 Å²	51.8	45%	0.448	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131.8	177.9	-178.9	0	0	0	0	109.5	H168 W169 I224	H168-V222 CarbonylContact C-O 3.58Å; H168-V222 VanDerWaalsContact CA-O 3.29Å; H168-V222 WeakPolarHBondContact CA-O 3.44Å; W169-V222 PolarHBondContact N-O 2.88Å; W169-V222 PolarHBondContact O-N 3.39Å; V222-I224 PolarHBondContact O-N 2.89Å
223	E	84.3	Confident	83.4	Confident	66 Å²	66	51.6 Å²	51.6	31%	0.308	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	133.1	177	-174.5	177.2	162.5	0	0	111.3	R141 V166	R141-E223 IonicContact CZ-OE1 3.98Å; R141-E223 IonicContact NE-OE1 3.96Å; R141-E223 PolarHBondContact NE-OE1 2.91Å; R141-E223 IonicContact NE-OE2 3.42Å; R141-E223 IonicContact NH2-OE1 3.67Å; R141-E223 PolarHBondContact NH2-OE1 2.77Å; V166-E223 HydrophobicContact CG1-CG 3.97Å
224	I	84	Confident	83.8	Confident	5 Å²	5	49.6 Å²	49.6	3%	0.026	28%	0.281	C	S	.	.			trans	-87.2	116	173.3	-58.7	174.2	0	0	0	108.2	L97 T101 T136 S167 W169 V222	L97-I224 HydrophobicContact CD1-CD1 4.45Å; L97-I224 HydrophobicContact CD1-CG1 4.39Å; L97-I224 HydrophobicContact CD1-CG2 3.72Å; T101-I224 HydrophobicContact CG2-CD1 4.4Å; T136-I224 HydrophobicContact CG2-CD1 4.13Å; S167-I224 WeakPolarHBondContact O-CB 3.37Å; S167-I224 PolarHBondContact O-N 3.34Å; W169-I224 HydrophobicContact CB-CD1 4.01Å; W169-I224 HydrophobicContact CB-CG1 3.83Å; V222-I224 PolarHBondContact O-N 2.89Å
225	T	81.9	Confident	84.2	Confident	65 Å²	65	48.8 Å²	48.8	40%	0.399	28%	0.277	S	S	.	.			trans	-91.9	159	173.4	63.1	0	0	0	0	110.5	N227 S228	T225-N227 PolarHBondContact O-N 3.49Å; T225-N227 VanDerWaalsContact O-N 3.17Å; T225-S228 PolarHBondContact N-OG 3.38Å; T225-S228 PolarHBondContact O-N 3.39Å; T225-S228 PolarHBondContact O-OG 3.37Å; T225-S228 PolarHBondContact OG1-N 2.91Å; T225-S228 PolarHBondContact OG1-OG 3.32Å
226	A	77.2	Confident	84.8	Confident	68 Å²	68	50.1 Å²	50.1	56%	0.562	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.9	177.3	0	0	0	0	0	112.8	R102	R102-A226 WeakPolarHBondContact CD-O 3.48Å
227	N	80	Confident	85.1	Confident	148 Å²	148	49.6 Å²	49.6	79%	0.791	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-20.1	-177.2	-67.1	-2.4	0	0	0	113.4	T225 S229	T225-N227 PolarHBondContact O-N 3.49Å; T225-N227 VanDerWaalsContact O-N 3.17Å; N227-S229 PolarHBondContact O-N 2.81Å
228	S	79.9	Confident	85.7	Confident	26 Å²	26	48.7 Å²	48.7	18%	0.182	28%	0.276	C	S	.	.			trans	-74.9	95.1	179.1	56.4	0	0	0	0	110.9	R102 T225	R102-S228 WeakPolarHBondContact CD-O 3.48Å; T225-S228 PolarHBondContact N-OG 3.38Å; T225-S228 PolarHBondContact O-N 3.39Å; T225-S228 PolarHBondContact O-OG 3.37Å; T225-S228 PolarHBondContact OG1-N 2.91Å; T225-S228 PolarHBondContact OG1-OG 3.32Å
229	S	84.5	Confident	86.2	Confident	67 Å²	67	50 Å²	50	47%	0.469	29%	0.286	S	S	.	.			trans	-76.4	-23.3	175.6	59.1	0	0	0	0	113.4	L97 N227	L97-S229 PolarHBondContact N-O 2.92Å; N227-S229 PolarHBondContact O-N 2.81Å
230	K	87.1	Confident	86.8	Confident	121 Å²	121	47 Å²	47	53%	0.526	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	147.5	178.2	-62	-175.9	174.3	-172.3	0	109.9	E94 V95	E94-K230 WeakPolarHBondContact OE2-CD 3.18Å; E94-K230 IonicContact OE2-NZ 3.03Å; E94-K230 PolarHBondContact OE2-NZ 2.73Å; V95-K230 WeakPolarHBondContact O-CA 3.4Å
231	V	88.4	Confident	87.1	Confident	17 Å²	17	48.1 Å²	48.1	10%	0.103	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	148.1	173	-70.5	0	0	0	0	110.5	V95 L97 W169	V95-V231 HydrophobicContact CB-CG2 4.18Å; V95-V231 PolarHBondContact N-O 3.35Å; V95-V231 PolarHBondContact O-N 3.32Å; L97-V231 HydrophobicContact CD1-CB 4.4Å; L97-V231 HydrophobicContact CD1-CG1 3.5Å; L97-V231 VanDerWaalsContact CD1-CG1 3.5Å; L97-V231 HydrophobicContact CD1-CG2 4.07Å; L97-V231 HydrophobicContact CD2-CG2 3.72Å; L97-V231 HydrophobicContact CG-CG1 4.12Å; L97-V231 HydrophobicContact CG-CG2 3.83Å; W169-V231 HydrophobicContact CD2-CG2 3.83Å; W169-V231 HydrophobicContact CE3-CG2 4.47Å; W169-V231 HydrophobicContact CG-CB 4.36Å; W169-V231 HydrophobicContact CG-CG2 4Å; W169-V231 HydrophobicContact CZ2-CG2 4.11Å
232	N	91.8	Very high	87.2	Confident	94 Å²	94	47.1 Å²	47.1	50%	0.503	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	136.6	177.9	-66	-10.4	0	0	0	110.2	I92 W169	I92-N232 HydrophobicContact CG2-CB 4.29Å; W169-N232 PolarHBondContact NE1-O 3.47Å
233	L	91.3	Very high	87.2	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.01	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	119.4	173.2	178.8	64.6	0	0	0	109	I92 V93 V95 L109 M135 W169 S171 V173	I92-L233 CarbonylContact C-O 3.29Å; I92-L233 WeakPolarHBondContact CA-O 3.46Å; V93-L233 PolarHBondContact N-O 3.22Å; V93-L233 PolarHBondContact O-N 3.38Å; V95-L233 HydrophobicContact CG2-CB 3.78Å; V95-L233 HydrophobicContact CG2-CD2 4.06Å; L109-L233 HydrophobicContact CD1-CD2 3.46Å; L109-L233 VanDerWaalsContact CD1-CD2 3.46Å; M135-L233 HydrophobicContact CE-CD1 3.55Å; M135-L233 HydrophobicContact CE-CD2 4.49Å; W169-L233 HydrophobicContact CZ2-CB 4.28Å; W169-L233 HydrophobicContact CZ2-CD1 4.13Å; W169-L233 HydrophobicContact CZ2-CD2 4.43Å; S171-L233 CarbonylContact O-C 3.36Å; S171-L233 WeakPolarHBondContact O-CA 3.24Å; V173-L233 HydrophobicContact CB-CD1 4.35Å; V173-L233 HydrophobicContact CG2-CD1 3.77Å
234	T	92.7	Very high	87.2	Confident	26 Å²	26	43.9 Å²	43.9	16%	0.16	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	108.4	169.6	-52.7	0	0	0	0	108.4	K90 I92 S171 K172 V173 M236	K90-T234 HydrophobicContact CG-CG2 4.33Å; I92-T234 HydrophobicContact CG1-CG2 4.38Å; S171-T234 PolarHBondContact O-N 3.37Å; K172-T234 WeakPolarHBondContact CA-O 3.47Å; V173-T234 PolarHBondContact N-O 2.85Å; T234-M236 HydrophobicContact CG2-CG 4.23Å
235	L	91.4	Very high	87.5	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.016	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	127.5	171.6	-170.5	79.5	0	0	0	109.4	L60 I62 L78 K90 Q91 V173 L175	L60-L235 HydrophobicContact CD2-CD2 4.43Å; I62-L235 HydrophobicContact CD1-CD1 3.45Å; I62-L235 VanDerWaalsContact CD1-CD1 3.45Å; I62-L235 HydrophobicContact CD1-CD2 3.33Å; I62-L235 HydrophobicContact CD1-CG 4Å; L78-L235 HydrophobicContact CD2-CD2 3.43Å; L78-L235 VanDerWaalsContact CD2-CD2 3.43Å; K90-L235 WeakPolarHBondContact CA-O 3.21Å; Q91-L235 PolarHBondContact N-O 3.22Å; Q91-L235 PolarHBondContact O-N 3.48Å; V173-L235 HydrophobicContact CB-CD1 4.23Å; V173-L235 HydrophobicContact CG1-CD1 4.07Å; V173-L235 WeakPolarHBondContact O-CA 3.42Å; L175-L235 HydrophobicContact CD1-CD1 3.73Å; L175-L235 HydrophobicContact CD1-CD2 4.32Å; L175-L235 HydrophobicContact CD1-CG 4.31Å; L175-L235 HydrophobicContact CG-CD1 4.03Å
236	M	92	Very high	87.8	Confident	48 Å²	48	41.9 Å²	41.9	24%	0.236	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	126.9	173.5	-66.6	172.7	71.3	0	0	108.6	Y88 M89 K90 V173 T174 L175 T234	Y88-M236 HydrophobicContact CE2-CE 4.34Å; Y88-M236 WeakPolarHBondContact OH-CE 3.38Å; M89-M236 CarbonylContact O-C 3.56Å; M89-M236 WeakPolarHBondContact O-CA 3.3Å; K90-M236 HydrophobicContact CG-CG 4.09Å; V173-M236 PolarHBondContact O-N 3.29Å; T174-M236 CarbonylContact C-O 3.52Å; T174-M236 VanDerWaalsContact CA-O 3.25Å; T174-M236 WeakPolarHBondContact CA-O 3.47Å; T174-M236 HydrophobicContact CG2-CB 4.44Å; L175-M236 PolarHBondContact N-O 2.96Å; T234-M236 HydrophobicContact CG2-CG 4.23Å
237	Y	92.1	Very high	88.2	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.2	169.1	176.5	-100.1	0	0	0	109.6	F83 M85 E87 Y88 M89 L175 G177 F209	F83-Y237 HydrophobicContact CE1-CE1 4.33Å; F83-Y237 HydrophobicContact CE1-CE2 4.11Å; F83-Y237 AromaticContact CE1-CZ 3.98Å; F83-Y237 AromaticContact CE2-CD1 3.81Å; F83-Y237 HydrophobicContact CE2-CD1 3.81Å; F83-Y237 HydrophobicContact CE2-CD2 4.39Å; F83-Y237 HydrophobicContact CE2-CE1 4.08Å; F83-Y237 AromaticContact CE2-CG 3.97Å; F83-Y237 HydrophobicContact CE2-CG 3.97Å; F83-Y237 AromaticContact CZ-CD1 3.55Å; F83-Y237 HydrophobicContact CZ-CD1 3.55Å; F83-Y237 AromaticContact CZ-CD2 3.61Å; F83-Y237 HydrophobicContact CZ-CD2 3.61Å; F83-Y237 AromaticContact CZ-CE1 3.48Å; F83-Y237 HydrophobicContact CZ-CE1 3.48Å; F83-Y237 VanDerWaalsContact CZ-CE1 3.48Å; F83-Y237 AromaticContact CZ-CE2 3.53Å; F83-Y237 HydrophobicContact CZ-CE2 3.53Å; F83-Y237 AromaticContact CZ-CG 3.61Å; F83-Y237 HydrophobicContact CZ-CG 3.61Å; F83-Y237 AromaticContact CZ-CZ 3.46Å; F83-Y237 VanDerWaalsContact CZ-CZ 3.46Å; M85-Y237 WeakPolarHBondContact CA-OH 3.43Å; M85-Y237 WeakPolarHBondContact CB-OH 3.1Å; M85-Y237 PolarHBondContact O-OH 2.89Å; E87-Y237 WeakPolarHBondContact O-CD1 3.38Å; E87-Y237 VanDerWaalsContact O-CE1 3.27Å; E87-Y237 WeakPolarHBondContact O-CE1 3.28Å; Y88-Y237 WeakPolarHBondContact CA-O 3.32Å; Y88-Y237 WeakPolarHBondContact CD2-O 3.49Å; M89-Y237 PolarHBondContact N-O 2.91Å; M89-Y237 PolarHBondContact O-N 2.7Å; L175-Y237 HydrophobicContact CB-CD2 3.94Å; L175-Y237 VanDerWaalsContact O-CA 3.3Å; L175-Y237 WeakPolarHBondContact O-CA 3.32Å; G177-Y237 WeakPolarHBondContact CA-OH 3.06Å; F209-Y237 HydrophobicContact CE2-CE2 4.47Å
238	T	91	Very high	88.5	Confident	36 Å²	36	34.4 Å²	34.4	22%	0.221	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	118.7	-179.8	-54.8	0	0	0	0	110.2	L175 R176 T240	L175-T238 PolarHBondContact O-N 3.36Å; R176-T238 WeakPolarHBondContact CA-O 3.41Å; T238-T240 PolarHBondContact O-N 3.34Å; T238-T240 PolarHBondContact O-OG1 3.17Å
239	P	91	Very high	88.9	Confident	48 Å²	48	33.5 Å²	33.5	31%	0.312	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	137.8	171.9	28.8	-36.4	0	0	0	109.2	M85 Q86	M85-P239 WeakPolarHBondContact O-CB 3.49Å; Q86-P239 WeakPolarHBondContact O-CG 3.34Å
240	T	87.8	Confident	89.1	Confident	13 Å²	13	32.4 Å²	32.4	8%	0.08	17%	0.172	C	C	.	.			trans	-139	140.6	-172.3	-66.6	0	0	0	0	110.4	R176 G177 V178 T238 H244 L245	R176-T240 PolarHBondContact NH1-OG1 3.5Å; G177-T240 PolarHBondContact O-N 3.4Å; V178-T240 WeakPolarHBondContact CA-O 3.24Å; V178-T240 WeakPolarHBondContact CG2-O 3.41Å; T238-T240 PolarHBondContact O-N 3.34Å; T238-T240 PolarHBondContact O-OG1 3.17Å; T240-H244 HydrophobicContact CG2-CB 3.83Å; T240-H244 WeakPolarHBondContact CG2-ND1 3.5Å; T240-L245 HydrophobicContact CG2-CB 4.1Å
241	S	88.6	Confident	89	Confident	55 Å²	55	27.7 Å²	27.7	39%	0.385	15%	0.152	S	C	.	.			trans	-75.6	158.6	173.4	70	0	0	0	0	111.6	G243 H244 L245	S241-G243 VanDerWaalsContact C-N 3.27Å; S241-G243 PolarHBondContact O-N 2.9Å; S241-H244 PolarHBondContact O-N 2.79Å; S241-H244 WeakPolarHBondContact OG-CB 3.46Å; S241-H244 PolarHBondContact OG-N 3.14Å; S241-L245 PolarHBondContact O-N 2.75Å
242	V	88.6	Confident	89	Confident	7 Å²	7	28.4 Å²	28.4	4%	0.042	15%	0.153	C	C	.	.	H	α-helix	trans	-55	-43.9	176.2	171.2	0	0	0	0	112.1	P29 V178 F182 F184 M193 L245 H246	P29-V242 HydrophobicContact CG-CB 4.48Å; P29-V242 HydrophobicContact CG-CG1 3.91Å; V178-V242 HydrophobicContact CG1-CG2 3.66Å; F182-V242 HydrophobicContact CB-CG2 3.54Å; F182-V242 HydrophobicContact CD1-CG1 4.16Å; F182-V242 HydrophobicContact CD1-CG2 4.2Å; F182-V242 HydrophobicContact CD2-CB 4.28Å; F182-V242 HydrophobicContact CD2-CG2 4.13Å; F182-V242 HydrophobicContact CE1-CG1 4.32Å; F182-V242 HydrophobicContact CG-CB 4.19Å; F182-V242 HydrophobicContact CG-CG1 4.34Å; F182-V242 HydrophobicContact CG-CG2 3.7Å; F184-V242 HydrophobicContact CE1-CG1 3.63Å; F184-V242 HydrophobicContact CZ-CB 4.48Å; F184-V242 HydrophobicContact CZ-CG1 3.47Å; F184-V242 VanDerWaalsContact CZ-CG1 3.47Å; F184-V242 HydrophobicContact CZ-CG2 4.12Å; M193-V242 HydrophobicContact CE-CG1 4.09Å; M193-V242 HydrophobicContact SD-CG1 4.41Å; V242-L245 PolarHBondContact O-N 3.27Å; V242-H246 WeakPolarHBondContact O-CB 3.35Å; V242-H246 PolarHBondContact O-N 2.9Å
243	G	85.5	Confident	88.8	Confident	3 Å²	3	27.5 Å²	27.5	3%	0.031	15%	0.148	C	C	.	.	H	α-helix	trans	-65.4	-42.2	-179.7	0	0	0	0	0	113.4	I27 S241 H246 F247	I27-G243 VanDerWaalsContact O-CA 3.22Å; I27-G243 WeakPolarHBondContact O-CA 3.22Å; S241-G243 VanDerWaalsContact C-N 3.27Å; S241-G243 PolarHBondContact O-N 2.9Å; G243-H246 PolarHBondContact O-N 3.31Å; G243-F247 PolarHBondContact O-N 2.74Å
244	H	85.4	Confident	88.7	Confident	70 Å²	70	30.5 Å²	30.5	32%	0.324	17%	0.169	S	C	.	.	H	α-helix	trans	-66.8	-38.8	175.1	-177.9	-109.7	0	0	0	111.6	T240 S241 H246 F247 L248	T240-H244 HydrophobicContact CG2-CB 3.83Å; T240-H244 WeakPolarHBondContact CG2-ND1 3.5Å; S241-H244 PolarHBondContact O-N 2.79Å; S241-H244 WeakPolarHBondContact OG-CB 3.46Å; S241-H244 PolarHBondContact OG-N 3.14Å; H244-H246 PolarHBondContact O-N 3.36Å; H244-F247 WeakPolarHBondContact O-CB 3.46Å; H244-F247 PolarHBondContact O-N 3.23Å; H244-L248 VanDerWaalsContact O-CG 3.32Å; H244-L248 WeakPolarHBondContact O-CG 3.43Å; H244-L248 PolarHBondContact O-N 3.26Å
245	L	88.7	Confident	88.5	Confident	3 Å²	3	29.9 Å²	29.9	2%	0.016	17%	0.165	C	C	.	.	H	α-helix	trans	-61.6	-44.6	173.2	-176.4	64	0	0	0	111.5	V178 M193 L196 L208 Y210 T240 S241 V242 F247 L248 L249	V178-L245 HydrophobicContact CG2-CB 4.41Å; V178-L245 HydrophobicContact CG2-CD2 3.81Å; M193-L245 HydrophobicContact CE-CD2 4.16Å; L196-L245 HydrophobicContact CD1-CD2 4.43Å; L208-L245 HydrophobicContact CB-CD2 4.03Å; L208-L245 HydrophobicContact CD1-CD2 4.1Å; Y210-L245 HydrophobicContact CD1-CD1 3.77Å; Y210-L245 HydrophobicContact CG-CD1 3.85Å; T240-L245 HydrophobicContact CG2-CB 4.1Å; S241-L245 PolarHBondContact O-N 2.75Å; V242-L245 PolarHBondContact O-N 3.27Å; L245-F247 VanDerWaalsContact C-N 3.32Å; L245-F247 PolarHBondContact O-N 2.88Å; L245-L248 PolarHBondContact O-N 3.2Å; L245-L249 HydrophobicContact CG-CD1 4.18Å; L245-L249 VanDerWaalsContact O-CG 3.32Å; L245-L249 WeakPolarHBondContact O-CG 3.42Å; L245-L249 PolarHBondContact O-N 2.82Å
246	H	87.8	Confident	88.3	Confident	24 Å²	24	36.1 Å²	36.1	11%	0.111	19%	0.188	C	C	.	.	H	α-helix	trans	-60.9	-41.5	178.2	-174.8	-151.7	0	0	0	111.9	L26 P190 E192 M193 V242 G243 H244 L249 N250	L26-H246 VanDerWaalsContact CD1-CE1 3.41Å; L26-H246 WeakPolarHBondContact CD1-CE1 3.19Å; L26-H246 PolarHBondContact O-ND1 3.28Å; P190-H246 WeakPolarHBondContact CB-NE2 3.25Å; E192-H246 IonicContact OE2-NE2 3.4Å; M193-H246 HydrophobicContact SD-CB 4.09Å; V242-H246 WeakPolarHBondContact O-CB 3.35Å; V242-H246 PolarHBondContact O-N 2.9Å; G243-H246 PolarHBondContact O-N 3.31Å; H244-H246 PolarHBondContact O-N 3.36Å; H246-L249 PolarHBondContact O-N 3.48Å; H246-N250 PolarHBondContact CD2-ND2 2.99Å; H246-N250 PolarHBondContact NE2-ND2 3.48Å; H246-N250 VanDerWaalsContact NE2-ND2 3.11Å; H246-N250 PolarHBondContact O-N 3.5Å; H246-N250 PolarHBondContact O-ND2 2.9Å
247	F	85.9	Confident	88.1	Confident	47 Å²	47	38.9 Å²	38.9	21%	0.206	20%	0.2	C	C	.	.	H	α-helix	trans	-59.2	-50.1	172.4	175.7	-101.7	0	0	0	112.2	F23 L26 G243 H244 L245 L249 N250 M251 M275	F23-F247 HydrophobicContact CE1-CE2 4.49Å; L26-F247 HydrophobicContact CD2-CD2 3.82Å; G243-F247 PolarHBondContact O-N 2.74Å; H244-F247 WeakPolarHBondContact O-CB 3.46Å; H244-F247 PolarHBondContact O-N 3.23Å; L245-F247 VanDerWaalsContact C-N 3.32Å; L245-F247 PolarHBondContact O-N 2.88Å; F247-L249 VanDerWaalsContact C-N 3.28Å; F247-L249 PolarHBondContact O-N 2.9Å; F247-N250 PolarHBondContact O-N 3.02Å; F247-M251 HydrophobicContact CE1-SD 4.08Å; F247-M251 VanDerWaalsContact O-CB 3.29Å; F247-M251 WeakPolarHBondContact O-CB 3.24Å; F247-M251 PolarHBondContact O-N 3.22Å; F247-M275 HydrophobicContact CE1-CE 3.56Å; F247-M275 HydrophobicContact CZ-CE 3.47Å; F247-M275 VanDerWaalsContact CZ-CE 3.47Å
248	L	86.8	Confident	87.8	Confident	13 Å²	13	40.8 Å²	40.8	7%	0.068	21%	0.21	C	C	.	.	H	α-helix	trans	-60.3	-36.8	178.9	-68.3	172.8	0	0	0	112.5	L214 H244 L245 R252	L214-L248 HydrophobicContact CD1-CB 4.21Å; L214-L248 HydrophobicContact CD1-CD2 3.78Å; H244-L248 VanDerWaalsContact O-CG 3.32Å; H244-L248 WeakPolarHBondContact O-CG 3.43Å; H244-L248 PolarHBondContact O-N 3.26Å; L245-L248 PolarHBondContact O-N 3.2Å; L248-R252 WeakPolarHBondContact O-CB 3.23Å; L248-R252 PolarHBondContact O-N 3.12Å
249	L	89	Confident	87.5	Confident	6 Å²	6	44.4 Å²	44.4	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-68	-45.1	177.1	-69.6	170.5	0	0	0	112.1	E192 M193 L196 Y210 L245 H246 F247 R252 L253	E192-L249 HydrophobicContact CB-CB 4.17Å; M193-L249 HydrophobicContact CG-CD1 3.76Å; L196-L249 HydrophobicContact CD1-CD1 3.88Å; L196-L249 HydrophobicContact CD1-CD2 4.18Å; Y210-L249 HydrophobicContact CD2-CD2 4.11Å; Y210-L249 HydrophobicContact CE2-CD2 3.59Å; L245-L249 HydrophobicContact CG-CD1 4.18Å; L245-L249 VanDerWaalsContact O-CG 3.32Å; L245-L249 WeakPolarHBondContact O-CG 3.42Å; L245-L249 PolarHBondContact O-N 2.82Å; H246-L249 PolarHBondContact O-N 3.48Å; F247-L249 VanDerWaalsContact C-N 3.28Å; F247-L249 PolarHBondContact O-N 2.9Å; L249-R252 WeakPolarHBondContact O-CB 3.44Å; L249-R252 PolarHBondContact O-N 2.95Å; L249-L253 PolarHBondContact O-N 3.46Å; L249-L253 VanDerWaalsContact O-N 3.17Å
250	N	87.7	Confident	87.3	Confident	44 Å²	44	46.1 Å²	46.1	24%	0.235	24%	0.242	C	C	.	.	H	α-helix	trans	-61.4	-46.1	175.4	-86.5	-88.4	0	0	0	111.3	L26 H246 F247 R252 L253 S254	L26-N250 HydrophobicContact CD1-CB 4.35Å; L26-N250 WeakPolarHBondContact CD1-ND2 3.3Å; H246-N250 PolarHBondContact CD2-ND2 2.99Å; H246-N250 PolarHBondContact NE2-ND2 3.48Å; H246-N250 VanDerWaalsContact NE2-ND2 3.11Å; H246-N250 PolarHBondContact O-N 3.5Å; H246-N250 PolarHBondContact O-ND2 2.9Å; F247-N250 PolarHBondContact O-N 3.02Å; N250-R252 VanDerWaalsContact C-N 3.31Å; N250-R252 PolarHBondContact O-N 3.39Å; N250-L253 WeakPolarHBondContact O-CA 3.14Å; N250-L253 WeakPolarHBondContact O-CB 3.45Å; N250-L253 PolarHBondContact O-N 3.06Å; N250-S254 PolarHBondContact O-N 3.21Å; N250-S254 PolarHBondContact O-OG 2.97Å
251	M	86.1	Confident	87.1	Confident	22 Å²	22	54 Å²	54	11%	0.108	27%	0.27	C	S	.	.	H	α-helix	trans	-59.1	-41.3	176.6	179.2	-174	156.3	0	0	112.2	L214 F247 L253 S254 L255 L272 M275	L214-M251 HydrophobicContact CD1-CE 3.81Å; L214-M251 HydrophobicContact CD1-CG 4.3Å; L214-M251 HydrophobicContact CD1-SD 3.83Å; F247-M251 HydrophobicContact CE1-SD 4.08Å; F247-M251 VanDerWaalsContact O-CB 3.29Å; F247-M251 WeakPolarHBondContact O-CB 3.24Å; F247-M251 PolarHBondContact O-N 3.22Å; M251-L253 VanDerWaalsContact C-N 3.27Å; M251-L253 PolarHBondContact O-N 3.44Å; M251-S254 PolarHBondContact O-N 3.21Å; M251-L255 HydrophobicContact CE-CD1 3.88Å; M251-L255 HydrophobicContact CG-CD1 4.13Å; M251-L255 HydrophobicContact CG-CG 4.48Å; M251-L255 WeakPolarHBondContact O-CB 3.46Å; M251-L255 WeakPolarHBondContact O-CG 3.46Å; M251-L255 PolarHBondContact O-N 3.04Å; M251-L272 HydrophobicContact CE-CD2 3.09Å; M251-L272 HydrophobicContact CE-CG 4.46Å; M251-M275 HydrophobicContact CE-CE 3.72Å; M251-M275 HydrophobicContact CE-SD 3.38Å; M251-M275 WeakPolarHBondContact CE-SD 3.45Å; M251-M275 HydrophobicContact CG-CE 4.37Å; M251-M275 HydrophobicContact CG-SD 4.49Å; M251-M275 HydrophobicContact SD-CE 3.25Å; M251-M275 WeakPolarHBondContact SD-CE 3.47Å; M251-M275 HydrophobicContact SD-SD 3.71Å
252	R	87.4	Confident	86.6	Confident	33 Å²	33	54.2 Å²	54.2	13%	0.125	28%	0.28	C	S	.	.	H	α-helix	trans	-59.6	-37.7	173.5	177	177.3	-177.9	-171.4	5.8	112.2	Y210 L214 L248 L249 N250 R256	Y210-R252 WeakPolarHBondContact OH-CD 3.38Å; Y210-R252 PolarHBondContact OH-NH1 3.17Å; L214-R252 HydrophobicContact CD2-CB 4.07Å; L248-R252 WeakPolarHBondContact O-CB 3.23Å; L248-R252 PolarHBondContact O-N 3.12Å; L249-R252 WeakPolarHBondContact O-CB 3.44Å; L249-R252 PolarHBondContact O-N 2.95Å; N250-R252 VanDerWaalsContact C-N 3.31Å; N250-R252 PolarHBondContact O-N 3.39Å; R252-R256 VanDerWaalsContact CZ-NH2 3.35Å; R252-R256 WeakPolarHBondContact O-CB 3.43Å; R252-R256 VanDerWaalsContact O-CG 3.23Å; R252-R256 WeakPolarHBondContact O-CG 3.46Å; R252-R256 PolarHBondContact O-N 2.72Å
253	L	88.7	Confident	86	Confident	75 Å²	75	57.4 Å²	57.4	39%	0.393	29%	0.294	S	S	.	.	H	α-helix	trans	-68	-45.6	175.8	-67.1	172.2	0	0	0	111.3	E192 L249 N250 M251 L255 R256 Q257	E192-L253 HydrophobicContact CB-CD1 4.49Å; E192-L253 HydrophobicContact CG-CD1 3.39Å; L249-L253 PolarHBondContact O-N 3.46Å; L249-L253 VanDerWaalsContact O-N 3.17Å; N250-L253 WeakPolarHBondContact O-CA 3.14Å; N250-L253 WeakPolarHBondContact O-CB 3.45Å; N250-L253 PolarHBondContact O-N 3.06Å; M251-L253 VanDerWaalsContact C-N 3.27Å; M251-L253 PolarHBondContact O-N 3.44Å; L253-L255 PolarHBondContact O-N 3.48Å; L253-R256 WeakPolarHBondContact O-CB 3.37Å; L253-R256 PolarHBondContact O-N 2.8Å; L253-Q257 PolarHBondContact O-N 2.95Å
254	S	88.7	Confident	85.5	Confident	65 Å²	65	62.9 Å²	62.9	46%	0.455	32%	0.317	S	S	.	.	H	α-helix	trans	-59.6	-45.4	176.2	-53.2	0	0	0	0	112	N250 M251 R256 Q257 L258	N250-S254 PolarHBondContact O-N 3.21Å; N250-S254 PolarHBondContact O-OG 2.97Å; M251-S254 PolarHBondContact O-N 3.21Å; S254-R256 VanDerWaalsContact C-N 3.34Å; S254-R256 PolarHBondContact O-N 3.38Å; S254-Q257 WeakPolarHBondContact O-CB 3.18Å; S254-Q257 PolarHBondContact O-N 2.8Å; S254-Q257 VanDerWaalsContact O-N 3.15Å; S254-L258 PolarHBondContact O-N 3.25Å
255	L	87.9	Confident	85.1	Confident	13 Å²	13	62.2 Å²	62.2	7%	0.068	31%	0.314	C	S	.	.	H	α-helix	trans	-67	-33.5	177.7	-70	176	0	0	0	112.5	L214 M251 L253 Q257 L258 K259 I268 I271 L272	L214-L255 HydrophobicContact CD2-CD1 3.8Å; M251-L255 HydrophobicContact CE-CD1 3.88Å; M251-L255 HydrophobicContact CG-CD1 4.13Å; M251-L255 HydrophobicContact CG-CG 4.48Å; M251-L255 WeakPolarHBondContact O-CB 3.46Å; M251-L255 WeakPolarHBondContact O-CG 3.46Å; M251-L255 PolarHBondContact O-N 3.04Å; L253-L255 PolarHBondContact O-N 3.48Å; L255-Q257 VanDerWaalsContact C-N 3.33Å; L255-L258 HydrophobicContact CD2-CD1 3.99Å; L255-L258 PolarHBondContact O-N 2.94Å; L255-K259 WeakPolarHBondContact O-CB 3.46Å; L255-K259 PolarHBondContact O-N 3.26Å; L255-I268 HydrophobicContact CB-CG2 4.2Å; L255-I268 HydrophobicContact CD1-CG2 3.98Å; L255-I268 HydrophobicContact CD2-CG2 3.97Å; L255-I268 HydrophobicContact CG-CG2 4.27Å; L255-I271 HydrophobicContact CD2-CD1 4.32Å; L255-I271 HydrophobicContact CD2-CG2 4.22Å; L255-L272 HydrophobicContact CD1-CD1 4.4Å; L255-L272 HydrophobicContact CD1-CD2 3.53Å; L255-L272 HydrophobicContact CD1-CG 4.02Å
256	R	86.7	Confident	84.2	Confident	134 Å²	134	64 Å²	64	51%	0.506	33%	0.327	S	S	.	.	H	α-helix	trans	-64.7	-38.2	171.4	-81.5	171.7	167.2	175.1	-7.7	111.8	R252 L253 S254 K259 A260	R252-R256 VanDerWaalsContact CZ-NH2 3.35Å; R252-R256 WeakPolarHBondContact O-CB 3.43Å; R252-R256 VanDerWaalsContact O-CG 3.23Å; R252-R256 WeakPolarHBondContact O-CG 3.46Å; R252-R256 PolarHBondContact O-N 2.72Å; L253-R256 WeakPolarHBondContact O-CB 3.37Å; L253-R256 PolarHBondContact O-N 2.8Å; S254-R256 VanDerWaalsContact C-N 3.34Å; S254-R256 PolarHBondContact O-N 3.38Å; R256-K259 WeakPolarHBondContact O-CB 3.22Å; R256-K259 PolarHBondContact O-N 2.91Å; R256-A260 PolarHBondContact O-N 3.14Å
257	Q	88.7	Confident	83.5	Confident	105 Å²	105	63.7 Å²	63.7	49%	0.491	33%	0.326	S	S	.	.	H	α-helix	trans	-67	-43.5	175.5	-172.7	174.3	8.4	0	0	111.6	L253 S254 L255 K259 A260 W261	L253-Q257 PolarHBondContact O-N 2.95Å; S254-Q257 WeakPolarHBondContact O-CB 3.18Å; S254-Q257 PolarHBondContact O-N 2.8Å; S254-Q257 VanDerWaalsContact O-N 3.15Å; L255-Q257 VanDerWaalsContact C-N 3.33Å; Q257-K259 VanDerWaalsContact C-N 3.3Å; Q257-K259 PolarHBondContact O-N 3.32Å; Q257-A260 WeakPolarHBondContact O-CA 3.32Å; Q257-A260 WeakPolarHBondContact O-CB 3.1Å; Q257-A260 PolarHBondContact O-N 2.03Å; Q257-W261 HydrophobicContact CG-CD2 4.44Å; Q257-W261 HydrophobicContact CG-CZ2 4.02Å; Q257-W261 PolarHBondContact O-N 3.25Å
258	L	86.3	Confident	83.2	Confident	40 Å²	40	61.8 Å²	61.8	21%	0.209	32%	0.317	C	S	.	.	H	α-helix	trans	-57.7	-44.3	172.2	-69.6	176.9	0	0	0	111.3	S254 L255 A260 W261 G262 F263 I271	S254-L258 PolarHBondContact O-N 3.25Å; L255-L258 HydrophobicContact CD2-CD1 3.99Å; L255-L258 PolarHBondContact O-N 2.94Å; L258-A260 VanDerWaalsContact C-N 3.28Å; L258-A260 PolarHBondContact O-N 3.31Å; L258-W261 HydrophobicContact CD2-CE3 3.88Å; L258-W261 HydrophobicContact CD2-CZ3 4.07Å; L258-W261 PolarHBondContact O-N 3Å; L258-W261 VanDerWaalsContact O-N 3.12Å; L258-G262 PolarHBondContact O-N 3.41Å; L258-F263 HydrophobicContact CB-CB 4.26Å; L258-F263 HydrophobicContact CB-CD2 4.08Å; L258-F263 HydrophobicContact CB-CG 4.2Å; L258-F263 HydrophobicContact CD2-CD2 4.11Å; L258-F263 HydrophobicContact CD2-CE2 3.94Å; L258-F263 HydrophobicContact CD2-CZ 4.38Å; L258-F263 WeakPolarHBondContact O-CB 3.34Å; L258-F263 VanDerWaalsContact O-CD2 3.31Å; L258-F263 WeakPolarHBondContact O-CD2 3.39Å; L258-F263 PolarHBondContact O-N 3.05Å; L258-F263 VanDerWaalsContact O-N 3.11Å; L258-I271 HydrophobicContact CD1-CD1 4.19Å
259	K	83.1	Confident	82.8	Confident	112 Å²	112	61.3 Å²	61.3	49%	0.487	32%	0.315	S	S	.	.	H	α-helix	trans	-59.8	-39.6	174.6	-164.9	170.4	-178.4	163.9	0	112.4	L255 R256 Q257 W261 G262 I268	L255-K259 WeakPolarHBondContact O-CB 3.46Å; L255-K259 PolarHBondContact O-N 3.26Å; R256-K259 WeakPolarHBondContact O-CB 3.22Å; R256-K259 PolarHBondContact O-N 2.91Å; Q257-K259 VanDerWaalsContact C-N 3.3Å; Q257-K259 PolarHBondContact O-N 3.32Å; K259-W261 VanDerWaalsContact C-N 3.31Å; K259-G262 PolarHBondContact O-N 3.19Å; K259-G262 VanDerWaalsContact O-N 3.12Å; K259-I268 HydrophobicContact CB-CD1 3.69Å; K259-I268 HydrophobicContact CD-CD1 4.19Å; K259-I268 HydrophobicContact CG-CD1 4.08Å
260	A	88.4	Confident	81.9	Confident	85 Å²	85	62 Å²	62	70%	0.702	32%	0.318	S	S	*	.	H	α-helix	trans	-67.4	-30.9	176.7	0	0	0	0	0	112.6	R256 Q257 L258 G262	R256-A260 PolarHBondContact O-N 3.14Å; Q257-A260 WeakPolarHBondContact O-CA 3.32Å; Q257-A260 WeakPolarHBondContact O-CB 3.1Å; Q257-A260 PolarHBondContact O-N 2.03Å; L258-A260 VanDerWaalsContact C-N 3.28Å; L258-A260 PolarHBondContact O-N 3.31Å; A260-G262 PolarHBondContact O-N 3.28Å
261	W	83.9	Confident	81.3	Confident	179 Å²	179	62.7 Å²	62.7	68%	0.678	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-2.4	171.2	-66.5	-16.7	0	0	0	114.2	Q257 L258 K259 F263	Q257-W261 HydrophobicContact CG-CD2 4.44Å; Q257-W261 HydrophobicContact CG-CZ2 4.02Å; Q257-W261 PolarHBondContact O-N 3.25Å; L258-W261 HydrophobicContact CD2-CE3 3.88Å; L258-W261 HydrophobicContact CD2-CZ3 4.07Å; L258-W261 PolarHBondContact O-N 3Å; L258-W261 VanDerWaalsContact O-N 3.12Å; K259-W261 VanDerWaalsContact C-N 3.31Å; W261-F263 HydrophobicContact CB-CD2 4.47Å
262	G	77.9	Confident	80.8	Confident	58 Å²	58	62.1 Å²	62.1	60%	0.598	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	103	5.3	174.5	0	0	0	0	0	115.3	L258 K259 A260 K264	L258-G262 PolarHBondContact O-N 3.41Å; K259-G262 PolarHBondContact O-N 3.19Å; K259-G262 VanDerWaalsContact O-N 3.12Å; A260-G262 PolarHBondContact O-N 3.28Å; G262-K264 PolarHBondContact O-N 3.04Å
263	F	75.7	Confident	80	Confident	74 Å²	74	61.2 Å²	61.2	33%	0.325	32%	0.316	S	S	.	.			trans	-62.1	135.7	172.3	-77.3	-103.1	0	0	0	110.6	L258 W261 D267 L343	L258-F263 HydrophobicContact CB-CB 4.26Å; L258-F263 HydrophobicContact CB-CD2 4.08Å; L258-F263 HydrophobicContact CB-CG 4.2Å; L258-F263 HydrophobicContact CD2-CD2 4.11Å; L258-F263 HydrophobicContact CD2-CE2 3.94Å; L258-F263 HydrophobicContact CD2-CZ 4.38Å; L258-F263 WeakPolarHBondContact O-CB 3.34Å; L258-F263 VanDerWaalsContact O-CD2 3.31Å; L258-F263 WeakPolarHBondContact O-CD2 3.39Å; L258-F263 PolarHBondContact O-N 3.05Å; L258-F263 VanDerWaalsContact O-N 3.11Å; W261-F263 HydrophobicContact CB-CD2 4.47Å; F263-D267 HydrophobicContact CD1-CB 4.3Å; F263-L343 HydrophobicContact CD1-CD1 3.63Å; F263-L343 HydrophobicContact CE1-CD1 3.61Å; F263-L343 HydrophobicContact CZ-CD1 4.48Å
264	K	74.6	Confident	78.9	Confident	118 Å²	118	58.9 Å²	58.9	51%	0.513	30%	0.304	S	S	.	.			trans	-75.3	156	-179.2	-65.7	176	-176.6	169.3	0	109.6	G262 S266 D267 I268	G262-K264 PolarHBondContact O-N 3.04Å; K264-S266 WeakPolarHBondContact CB-OG 3.25Å; K264-S266 PolarHBondContact O-N 3.36Å; K264-D267 WeakPolarHBondContact CB-OD2 3.38Å; K264-D267 PolarHBondContact N-OD2 3.14Å; K264-D267 PolarHBondContact O-N 2.95Å; K264-I268 PolarHBondContact O-N 3.23Å
265	Q	76	Confident	77.9	Confident	56 Å²	56	58.6 Å²	58.6	26%	0.262	30%	0.296	S	S	.	.	H	α-helix	trans	-60.4	-28.7	175.8	-170.4	65.8	43.9	0	0	112	D267 I268 D269	Q265-D267 VanDerWaalsContact C-N 3.3Å; Q265-D267 PolarHBondContact O-N 3.45Å; Q265-I268 PolarHBondContact O-N 3Å; Q265-D269 PolarHBondContact NE2-OD1 3.32Å; Q265-D269 WeakPolarHBondContact O-CB 3.4Å; Q265-D269 PolarHBondContact O-N 3.08Å; Q265-D269 VanDerWaalsContact O-OD1 3.12Å
266	S	70.3	Confident	76.8	Confident	41 Å²	41	61.4 Å²	61.4	29%	0.287	32%	0.321	S	S	.	.	H	α-helix	trans	-60	-40.7	173.6	45.7	0	0	0	0	112.7	K264 D269 E270	K264-S266 WeakPolarHBondContact CB-OG 3.25Å; K264-S266 PolarHBondContact O-N 3.36Å; S266-D269 PolarHBondContact O-N 2.98Å; S266-E270 PolarHBondContact O-N 3.31Å
267	D	73.5	Confident	75.4	Confident	17 Å²	17	59.9 Å²	59.9	9%	0.091	32%	0.323	C	S	.	.	H	α-helix	trans	-74.6	-38.2	-175.1	-41.1	-22.4	0	0	0	109	F263 K264 Q265 E270 I271 L343	F263-D267 HydrophobicContact CD1-CB 4.3Å; K264-D267 WeakPolarHBondContact CB-OD2 3.38Å; K264-D267 PolarHBondContact N-OD2 3.14Å; K264-D267 PolarHBondContact O-N 2.95Å; Q265-D267 VanDerWaalsContact C-N 3.3Å; Q265-D267 PolarHBondContact O-N 3.45Å; D267-E270 PolarHBondContact O-N 2.94Å; D267-I271 WeakPolarHBondContact O-CG1 3.29Å; D267-I271 PolarHBondContact O-N 3.42Å; D267-I271 VanDerWaalsContact O-N 3.08Å; D267-L343 WeakPolarHBondContact OD2-CD1 3.36Å
268	I	80.1	Confident	73.7	Confident	7 Å²	7	57.1 Å²	57.1	4%	0.036	31%	0.311	C	S	.	.	H	α-helix	trans	-63	-46.8	171.3	-64	171.6	0	0	0	110.5	L255 K259 K264 Q265 E270 I271 L272	L255-I268 HydrophobicContact CB-CG2 4.2Å; L255-I268 HydrophobicContact CD1-CG2 3.98Å; L255-I268 HydrophobicContact CD2-CG2 3.97Å; L255-I268 HydrophobicContact CG-CG2 4.27Å; K259-I268 HydrophobicContact CB-CD1 3.69Å; K259-I268 HydrophobicContact CD-CD1 4.19Å; K259-I268 HydrophobicContact CG-CD1 4.08Å; K264-I268 PolarHBondContact O-N 3.23Å; Q265-I268 PolarHBondContact O-N 3Å; I268-E270 PolarHBondContact O-N 3.06Å; I268-I271 PolarHBondContact O-N 3.32Å; I268-L272 HydrophobicContact CG2-CD1 3.89Å; I268-L272 HydrophobicContact CG2-CG 4.28Å; I268-L272 WeakPolarHBondContact O-CG 3.22Å; I268-L272 PolarHBondContact O-N 3.07Å
269	D	77.1	Confident	72.8	Confident	4 Å²	4	60.2 Å²	60.2	2%	0.021	33%	0.328	C	S	.	.	H	α-helix	trans	-61.8	-35.1	178.1	-65.5	-7	0	0	0	110.6	T218 Q265 S266 L272 N273	T218-D269 WeakPolarHBondContact CA-OD2 3.13Å; T218-D269 WeakPolarHBondContact CB-OD2 3.26Å; T218-D269 PolarHBondContact N-OD2 2.9Å; T218-D269 PolarHBondContact OG1-OD2 3.25Å; Q265-D269 PolarHBondContact NE2-OD1 3.32Å; Q265-D269 WeakPolarHBondContact O-CB 3.4Å; Q265-D269 PolarHBondContact O-N 3.08Å; Q265-D269 VanDerWaalsContact O-OD1 3.12Å; S266-D269 PolarHBondContact O-N 2.98Å; D269-L272 WeakPolarHBondContact O-CB 3.41Å; D269-L272 PolarHBondContact O-N 3.2Å; D269-N273 WeakPolarHBondContact O-CB 3.41Å; D269-N273 PolarHBondContact O-N 3.03Å; D269-N273 PolarHBondContact O-ND2 2.92Å; D269-N273 PolarHBondContact O-OD1 3.45Å
270	E	70.2	Confident	72.1	Confident	19 Å²	19	61.7 Å²	61.7	9%	0.089	34%	0.34	C	S	.	.	H	α-helix	trans	-63.3	-46.6	173.5	-177.8	172.2	-142.4	0	0	112.3	S266 D267 I268 L272 N273 M274 S342 R483	S266-E270 PolarHBondContact O-N 3.31Å; D267-E270 PolarHBondContact O-N 2.94Å; I268-E270 PolarHBondContact O-N 3.06Å; E270-L272 VanDerWaalsContact C-N 3.27Å; E270-L272 PolarHBondContact O-N 3.27Å; E270-N273 WeakPolarHBondContact O-CB 3.37Å; E270-N273 PolarHBondContact O-N 2.99Å; E270-M274 HydrophobicContact CG-CE 3.4Å; E270-M274 HydrophobicContact CG-SD 4.44Å; E270-M274 WeakPolarHBondContact O-CG 3.32Å; E270-M274 PolarHBondContact O-N 3.39Å; E270-S342 VanDerWaalsContact OE2-CB 3.27Å; E270-S342 WeakPolarHBondContact OE2-CB 3.43Å; E270-S342 PolarHBondContact OE2-OG 3.43Å; E270-R483 PolarHBondContact OE1-N 2.97Å
271	I	75.2	Confident	71	Confident	59 Å²	59	64.8 Å²	64.8	30%	0.303	34%	0.34	S	S	.	.	H	α-helix	trans	-58.5	-42.8	173.7	-64.4	165.3	0	0	0	110.4	L255 L258 D267 I268 N273 M274 M275	L255-I271 HydrophobicContact CD2-CD1 4.32Å; L255-I271 HydrophobicContact CD2-CG2 4.22Å; L258-I271 HydrophobicContact CD1-CD1 4.19Å; D267-I271 WeakPolarHBondContact O-CG1 3.29Å; D267-I271 PolarHBondContact O-N 3.42Å; D267-I271 VanDerWaalsContact O-N 3.08Å; I268-I271 PolarHBondContact O-N 3.32Å; I271-N273 PolarHBondContact O-N 3.44Å; I271-M274 PolarHBondContact O-N 3.14Å; I271-M275 HydrophobicContact CG2-SD 4.27Å; I271-M275 WeakPolarHBondContact O-CG 3.49Å; I271-M275 PolarHBondContact O-N 2.92Å; I271-M275 VanDerWaalsContact O-N 3.14Å
272	L	76.2	Confident	70.3	Confident	11 Å²	11	59.8 Å²	59.8	6%	0.058	33%	0.326	C	S	.	.	H	α-helix	trans	-63.4	-40.3	177.5	-69.1	174	0	0	0	112.5	L214 M251 L255 I268 D269 E270 M274 M275 A276	L214-L272 HydrophobicContact CB-CD2 3.85Å; L214-L272 HydrophobicContact CD2-CD2 4.02Å; L214-L272 HydrophobicContact CG-CD2 4.34Å; L214-L272 WeakPolarHBondContact O-CD1 3.32Å; M251-L272 HydrophobicContact CE-CD2 3.09Å; M251-L272 HydrophobicContact CE-CG 4.46Å; L255-L272 HydrophobicContact CD1-CD1 4.4Å; L255-L272 HydrophobicContact CD1-CD2 3.53Å; L255-L272 HydrophobicContact CD1-CG 4.02Å; I268-L272 HydrophobicContact CG2-CD1 3.89Å; I268-L272 HydrophobicContact CG2-CG 4.28Å; I268-L272 WeakPolarHBondContact O-CG 3.22Å; I268-L272 PolarHBondContact O-N 3.07Å; D269-L272 WeakPolarHBondContact O-CB 3.41Å; D269-L272 PolarHBondContact O-N 3.2Å; E270-L272 VanDerWaalsContact C-N 3.27Å; E270-L272 PolarHBondContact O-N 3.27Å; L272-M274 VanDerWaalsContact C-N 3.34Å; L272-M275 PolarHBondContact O-N 3.42Å; L272-A276 VanDerWaalsContact O-CB 3.25Å; L272-A276 WeakPolarHBondContact O-CB 3.27Å; L272-A276 PolarHBondContact O-N 3.25Å
273	N	70.8	Confident	69.9	Low	13 Å²	13	59.3 Å²	59.3	7%	0.07	31%	0.309	C	S	.	.	H	α-helix	trans	-62.4	-44	176.4	-61	-10.1	0	0	0	110.9	R217 D269 E270 I271 M275 A276 D277 R483	R217-N273 VanDerWaalsContact CZ-CG 3.47Å; R217-N273 PolarHBondContact NE-OD1 3.24Å; R217-N273 PolarHBondContact NH2-ND2 3.49Å; R217-N273 PolarHBondContact NH2-OD1 2.89Å; D269-N273 WeakPolarHBondContact O-CB 3.41Å; D269-N273 PolarHBondContact O-N 3.03Å; D269-N273 PolarHBondContact O-ND2 2.92Å; D269-N273 PolarHBondContact O-OD1 3.45Å; E270-N273 WeakPolarHBondContact O-CB 3.37Å; E270-N273 PolarHBondContact O-N 2.99Å; I271-N273 PolarHBondContact O-N 3.44Å; N273-M275 PolarHBondContact O-N 3.41Å; N273-A276 PolarHBondContact O-N 3.4Å; N273-D277 WeakPolarHBondContact O-CB 3.4Å; N273-D277 PolarHBondContact O-N 2.88Å; N273-R483 PolarHBondContact ND2-NH2 2.92Å
274	M	66.1	Low	69.6	Low	27 Å²	27	60.8 Å²	60.8	13%	0.133	32%	0.32	C	S	.	.	H	α-helix	trans	-60.2	-37.4	177.4	-68.7	165.6	-173.5	0	0	111.7	E270 I271 L272 L278 L283 F482	E270-M274 HydrophobicContact CG-CE 3.4Å; E270-M274 HydrophobicContact CG-SD 4.44Å; E270-M274 WeakPolarHBondContact O-CG 3.32Å; E270-M274 PolarHBondContact O-N 3.39Å; I271-M274 PolarHBondContact O-N 3.14Å; L272-M274 VanDerWaalsContact C-N 3.34Å; M274-L278 HydrophobicContact CB-CD1 4.49Å; M274-L278 WeakPolarHBondContact O-CB 3.35Å; M274-L278 WeakPolarHBondContact O-CD1 3.37Å; M274-L283 HydrophobicContact CB-CD1 4.15Å; M274-F482 HydrophobicContact CE-CD1 3.06Å; M274-F482 HydrophobicContact CE-CD2 4.45Å; M274-F482 HydrophobicContact CE-CE1 3.04Å; M274-F482 HydrophobicContact CE-CE2 4.44Å; M274-F482 HydrophobicContact CE-CG 3.82Å; M274-F482 HydrophobicContact CE-CZ 3.79Å; M274-F482 HydrophobicContact SD-CD1 4.25Å; M274-F482 HydrophobicContact SD-CE1 3.62Å; M274-F482 HydrophobicContact SD-CZ 4.06Å
275	M	67.5	Low	69.7	Low	59 Å²	59	59.4 Å²	59.4	29%	0.291	32%	0.318	S	S	.	.	H	α-helix	trans	-80.5	-30.2	179.9	-66.7	-176.5	66.2	0	0	113.9	F247 M251 I271 L272 N273 L283	F247-M275 HydrophobicContact CE1-CE 3.56Å; F247-M275 HydrophobicContact CZ-CE 3.47Å; F247-M275 VanDerWaalsContact CZ-CE 3.47Å; M251-M275 HydrophobicContact CE-CE 3.72Å; M251-M275 HydrophobicContact CE-SD 3.38Å; M251-M275 WeakPolarHBondContact CE-SD 3.45Å; M251-M275 HydrophobicContact CG-CE 4.37Å; M251-M275 HydrophobicContact CG-SD 4.49Å; M251-M275 HydrophobicContact SD-CE 3.25Å; M251-M275 WeakPolarHBondContact SD-CE 3.47Å; M251-M275 HydrophobicContact SD-SD 3.71Å; I271-M275 HydrophobicContact CG2-SD 4.27Å; I271-M275 WeakPolarHBondContact O-CG 3.49Å; I271-M275 PolarHBondContact O-N 2.92Å; I271-M275 VanDerWaalsContact O-N 3.14Å; L272-M275 PolarHBondContact O-N 3.42Å; N273-M275 PolarHBondContact O-N 3.41Å; M275-L283 HydrophobicContact CG-CD1 4.17Å; M275-L283 HydrophobicContact CG-CD2 4.07Å
276	A	65.1	Low	69.5	Low	72 Å²	72	57.1 Å²	57.1	60%	0.595	31%	0.307	S	S	*	.	H	α-helix	trans	-86.5	-35.4	-176.6	0	0	0	0	0	113.1	L272 N273	L272-A276 VanDerWaalsContact O-CB 3.25Å; L272-A276 WeakPolarHBondContact O-CB 3.27Å; L272-A276 PolarHBondContact O-N 3.25Å; N273-A276 PolarHBondContact O-N 3.4Å
277	D	57.3	Low	69.7	Low	101 Å²	101	59.7 Å²	59.7	54%	0.54	32%	0.318	S	S	.	.	S	Bend	trans	-101.2	1.3	-167.8	-64.3	-31.5	0	0	0	113.3	R217 N273	R217-D277 IonicContact CZ-OD2 2.65Å; R217-D277 IonicContact NH1-OD1 3.21Å; R217-D277 PolarHBondContact NH1-OD1 3.38Å; R217-D277 IonicContact NH1-OD2 3.87Å; R217-D277 PolarHBondContact NH1-OD2 3Å; R217-D277 IonicContact NH2-OD2 3.61Å; R217-D277 PolarHBondContact NH2-OD2 3.44Å; N273-D277 WeakPolarHBondContact O-CB 3.4Å; N273-D277 PolarHBondContact O-N 2.88Å
278	L	53.3	Low	69.9	Low	48 Å²	48	63.1 Å²	63.1	25%	0.251	34%	0.335	S	S	.	.	S	Bend	trans	-127.3	133.5	-176.3	-54	171.6	0	0	0	110.5	M274 I280 L282 T286	M274-L278 HydrophobicContact CB-CD1 4.49Å; M274-L278 WeakPolarHBondContact O-CB 3.35Å; M274-L278 WeakPolarHBondContact O-CD1 3.37Å; L278-I280 PolarHBondContact O-N 2.99Å; L278-L282 HydrophobicContact CB-CB 4.05Å; L278-L282 HydrophobicContact CB-CD2 4.13Å; L278-L282 HydrophobicContact CB-CG 4.07Å; L278-L282 HydrophobicContact CD1-CG 4.28Å; L278-L282 HydrophobicContact CD2-CD2 3.3Å; L278-L282 HydrophobicContact CD2-CG 3.88Å; L278-L282 HydrophobicContact CG-CD2 4.16Å; L278-L282 HydrophobicContact CG-CG 4.27Å; L278-T286 HydrophobicContact CD1-CG2 4.35Å
279	D	65.8	Low	69.8	Low	104 Å²	104	64.6 Å²	64.6	56%	0.556	34%	0.343	S	S	*	.			trans	-45.1	142	164.8	-171.7	-27.9	0	0	0	108.8	Q281 L282 L283	D279-Q281 PolarHBondContact O-N 2.79Å; D279-Q281 PolarHBondContact OD1-N 3.36Å; D279-Q281 VanDerWaalsContact OD1-N 3.17Å; D279-L282 WeakPolarHBondContact O-CA 3.48Å; D279-L282 PolarHBondContact O-N 2.87Å; D279-L283 PolarHBondContact O-N 3.26Å
280	I	68.4	Low	69.8	Low	143 Å²	143	65.2 Å²	65.2	73%	0.733	35%	0.347	S	S	*	.	H	α-helix	trans	-47.9	-34.4	177.3	-64.5	168	0	0	0	110.5	L278 L284	L278-I280 PolarHBondContact O-N 2.99Å; I280-L284 WeakPolarHBondContact O-CB 3.35Å; I280-L284 PolarHBondContact O-N 3.23Å
281	Q	65.8	Low	70.2	Confident	151 Å²	151	70.4 Å²	70.4	71%	0.706	37%	0.373	S	S	*	.	H	α-helix	trans	-62.3	-45.8	175.2	-62.2	-174	-11.7	0	0	113.2	D279 L284 L285	D279-Q281 PolarHBondContact O-N 2.79Å; D279-Q281 PolarHBondContact OD1-N 3.36Å; D279-Q281 VanDerWaalsContact OD1-N 3.17Å; Q281-L284 PolarHBondContact O-N 2.96Å; Q281-L285 WeakPolarHBondContact O-CB 3.41Å; Q281-L285 PolarHBondContact O-N 3Å
282	L	69.1	Low	70.4	Confident	73 Å²	73	70.7 Å²	70.7	38%	0.382	38%	0.377	S	S	.	.	H	α-helix	trans	-72.8	-36.3	180	-176.1	56.4	0	0	0	110.9	L278 D279 L285 T286	L278-L282 HydrophobicContact CB-CB 4.05Å; L278-L282 HydrophobicContact CB-CD2 4.13Å; L278-L282 HydrophobicContact CB-CG 4.07Å; L278-L282 HydrophobicContact CD1-CG 4.28Å; L278-L282 HydrophobicContact CD2-CD2 3.3Å; L278-L282 HydrophobicContact CD2-CG 3.88Å; L278-L282 HydrophobicContact CG-CD2 4.16Å; L278-L282 HydrophobicContact CG-CG 4.27Å; D279-L282 WeakPolarHBondContact O-CA 3.48Å; D279-L282 PolarHBondContact O-N 2.87Å; L282-L285 HydrophobicContact CD1-CD2 4.2Å; L282-L285 PolarHBondContact O-N 3.11Å; L282-T286 HydrophobicContact CD1-CG2 4.41Å; L282-T286 VanDerWaalsContact O-CG2 3.26Å; L282-T286 WeakPolarHBondContact O-CG2 3.38Å; L282-T286 PolarHBondContact O-N 3.13Å; L282-T286 PolarHBondContact O-OG1 3.3Å
283	L	69.4	Low	70.6	Confident	49 Å²	49	70.7 Å²	70.7	26%	0.257	38%	0.377	S	S	.	.	H	α-helix	trans	-59.1	-48.2	170.8	-178.9	67.8	0	0	0	111.3	M274 M275 D279 L285 T286 L287	M274-L283 HydrophobicContact CB-CD1 4.15Å; M275-L283 HydrophobicContact CG-CD1 4.17Å; M275-L283 HydrophobicContact CG-CD2 4.07Å; D279-L283 PolarHBondContact O-N 3.26Å; L283-L285 VanDerWaalsContact C-N 3.32Å; L283-L285 PolarHBondContact O-N 2.86Å; L283-T286 WeakPolarHBondContact CA-OG1 3.31Å; L283-T286 PolarHBondContact O-N 3.41Å; L283-T286 PolarHBondContact O-OG1 3.48Å; L283-L287 PolarHBondContact O-N 3.38Å
284	L	70.4	Confident	71	Confident	104 Å²	104	72.3 Å²	72.3	55%	0.545	39%	0.392	S	S	.	.	H	α-helix	trans	-60.6	-43.1	178	-176.4	64.8	0	0	0	111.5	I280 Q281 L287 I288	I280-L284 WeakPolarHBondContact O-CB 3.35Å; I280-L284 PolarHBondContact O-N 3.23Å; Q281-L284 PolarHBondContact O-N 2.96Å; L284-L287 PolarHBondContact O-N 3.35Å; L284-I288 HydrophobicContact CD1-CD1 4.42Å; L284-I288 HydrophobicContact CG-CD1 4.08Å; L284-I288 VanDerWaalsContact O-CG1 3.29Å; L284-I288 WeakPolarHBondContact O-CG1 3.5Å; L284-I288 PolarHBondContact O-N 2.87Å
285	L	75.2	Confident	71.8	Confident	89 Å²	89	75 Å²	75	47%	0.466	41%	0.41	S	S	.	.	H	α-helix	trans	-60.2	-48.1	175.7	179.7	63.4	0	0	0	111.7	Q281 L282 L283 L287 I288 I289	Q281-L285 WeakPolarHBondContact O-CB 3.41Å; Q281-L285 PolarHBondContact O-N 3Å; L282-L285 HydrophobicContact CD1-CD2 4.2Å; L282-L285 PolarHBondContact O-N 3.11Å; L283-L285 VanDerWaalsContact C-N 3.32Å; L283-L285 PolarHBondContact O-N 2.86Å; L285-L287 VanDerWaalsContact C-N 3.33Å; L285-L287 PolarHBondContact O-N 2.94Å; L285-I288 PolarHBondContact O-N 2.84Å; L285-I289 HydrophobicContact CD1-CD1 3.88Å; L285-I289 HydrophobicContact CD1-CG1 4.29Å; L285-I289 HydrophobicContact CD2-CD1 4.43Å; L285-I289 HydrophobicContact CG-CD1 3.71Å; L285-I289 HydrophobicContact CG-CG1 4.49Å; L285-I289 VanDerWaalsContact O-CG1 3.26Å; L285-I289 WeakPolarHBondContact O-CG1 3.4Å; L285-I289 PolarHBondContact O-N 3.24Å
286	T	73	Confident	72.4	Confident	8 Å²	8	73.2 Å²	73.2	5%	0.049	40%	0.402	C	S	.	.	H	α-helix	trans	-63.4	-37.4	179.3	58.7	0	0	0	0	112.6	L278 L282 L283 I289 S290 V481	L278-T286 HydrophobicContact CD1-CG2 4.35Å; L282-T286 HydrophobicContact CD1-CG2 4.41Å; L282-T286 VanDerWaalsContact O-CG2 3.26Å; L282-T286 WeakPolarHBondContact O-CG2 3.38Å; L282-T286 PolarHBondContact O-N 3.13Å; L282-T286 PolarHBondContact O-OG1 3.3Å; L283-T286 WeakPolarHBondContact CA-OG1 3.31Å; L283-T286 PolarHBondContact O-N 3.41Å; L283-T286 PolarHBondContact O-OG1 3.48Å; T286-I289 PolarHBondContact O-N 3.04Å; T286-S290 WeakPolarHBondContact O-CB 3.32Å; T286-S290 PolarHBondContact O-N 3.42Å; T286-S290 PolarHBondContact O-OG 2.92Å; T286-V481 HydrophobicContact CG2-CB 4.44Å; T286-V481 HydrophobicContact CG2-CG1 3.55Å; T286-V481 HydrophobicContact CG2-CG2 3.98Å
287	L	74.3	Confident	73.1	Confident	95 Å²	95	70.9 Å²	70.9	50%	0.497	38%	0.379	S	S	.	.	H	α-helix	trans	-62.7	-47.8	173.8	-179.2	65.6	0	0	0	110.9	L283 L284 L285 I289 S290 M291	L283-L287 PolarHBondContact O-N 3.38Å; L284-L287 PolarHBondContact O-N 3.35Å; L285-L287 VanDerWaalsContact C-N 3.33Å; L285-L287 PolarHBondContact O-N 2.94Å; L287-I289 VanDerWaalsContact C-N 3.35Å; L287-I289 PolarHBondContact O-N 3.39Å; L287-S290 PolarHBondContact O-N 3.45Å; L287-S290 PolarHBondContact O-OG 2.97Å; L287-M291 PolarHBondContact O-N 3.11Å
288	I	77.5	Confident	74.3	Confident	90 Å²	90	72.6 Å²	72.6	46%	0.462	38%	0.382	S	S	.	.	H	α-helix	trans	-59.3	-46.7	177.1	-67.9	166	0	0	0	110.6	L284 L285 S290 M291 V292	L284-I288 HydrophobicContact CD1-CD1 4.42Å; L284-I288 HydrophobicContact CG-CD1 4.08Å; L284-I288 VanDerWaalsContact O-CG1 3.29Å; L284-I288 WeakPolarHBondContact O-CG1 3.5Å; L284-I288 PolarHBondContact O-N 2.87Å; L285-I288 PolarHBondContact O-N 2.84Å; I288-S290 PolarHBondContact O-N 3.48Å; I288-M291 PolarHBondContact O-N 3.19Å; I288-V292 HydrophobicContact CG2-CG2 4.43Å; I288-V292 WeakPolarHBondContact O-CG2 3.41Å; I288-V292 PolarHBondContact O-N 2.94Å
289	I	78.9	Confident	75.7	Confident	38 Å²	38	73.4 Å²	73.4	20%	0.195	39%	0.386	C	S	.	.	H	α-helix	trans	-61.1	-45.6	179.3	-67.6	164.9	0	0	0	110.9	L285 T286 L287 M291 V292 H293 I474 V477	L285-I289 HydrophobicContact CD1-CD1 3.88Å; L285-I289 HydrophobicContact CD1-CG1 4.29Å; L285-I289 HydrophobicContact CD2-CD1 4.43Å; L285-I289 HydrophobicContact CG-CD1 3.71Å; L285-I289 HydrophobicContact CG-CG1 4.49Å; L285-I289 VanDerWaalsContact O-CG1 3.26Å; L285-I289 WeakPolarHBondContact O-CG1 3.4Å; L285-I289 PolarHBondContact O-N 3.24Å; T286-I289 PolarHBondContact O-N 3.04Å; L287-I289 VanDerWaalsContact C-N 3.35Å; L287-I289 PolarHBondContact O-N 3.39Å; I289-M291 VanDerWaalsContact C-N 3.32Å; I289-M291 PolarHBondContact O-N 3.47Å; I289-V292 PolarHBondContact O-N 2.95Å; I289-H293 WeakPolarHBondContact O-CB 3.47Å; I289-H293 PolarHBondContact O-N 2.95Å; I289-I474 HydrophobicContact CG2-CG2 4.12Å; I289-V477 HydrophobicContact CD1-CG1 3.85Å; I289-V477 HydrophobicContact CG2-CG1 4.22Å
290	S	75.9	Confident	76.2	Confident	17 Å²	17	70.3 Å²	70.3	12%	0.119	38%	0.375	C	S	.	.	H	α-helix	trans	-62	-37.2	177.5	71.1	0	0	0	0	112.9	T286 L287 I288 A294	T286-S290 WeakPolarHBondContact O-CB 3.32Å; T286-S290 PolarHBondContact O-N 3.42Å; T286-S290 PolarHBondContact O-OG 2.92Å; L287-S290 PolarHBondContact O-N 3.45Å; L287-S290 PolarHBondContact O-OG 2.97Å; I288-S290 PolarHBondContact O-N 3.48Å; S290-A294 WeakPolarHBondContact O-CB 3.31Å; S290-A294 PolarHBondContact O-N 3.15Å
291	M	78.4	Confident	76.9	Confident	127 Å²	127	65.2 Å²	65.2	63%	0.626	35%	0.348	S	S	*	.	H	α-helix	trans	-67.7	-44.4	175.2	-77.7	-165.2	135.6	0	0	111.8	L287 I288 I289 A294 V295	L287-M291 PolarHBondContact O-N 3.11Å; I288-M291 PolarHBondContact O-N 3.19Å; I289-M291 VanDerWaalsContact C-N 3.32Å; I289-M291 PolarHBondContact O-N 3.47Å; M291-A294 PolarHBondContact O-N 3.32Å; M291-V295 VanDerWaalsContact O-CG2 3.32Å; M291-V295 WeakPolarHBondContact O-CG2 3.39Å; M291-V295 PolarHBondContact O-N 3.3Å
292	V	80.9	Confident	77.8	Confident	65 Å²	65	65 Å²	65	39%	0.394	34%	0.341	S	S	.	.	H	α-helix	trans	-63.1	-45.9	176.7	176.6	0	0	0	0	110.3	I288 I289 A294 V295 L296 I474	I288-V292 HydrophobicContact CG2-CG2 4.43Å; I288-V292 WeakPolarHBondContact O-CG2 3.41Å; I288-V292 PolarHBondContact O-N 2.94Å; I289-V292 PolarHBondContact O-N 2.95Å; V292-A294 PolarHBondContact O-N 3.24Å; V292-V295 PolarHBondContact O-N 3.35Å; V292-L296 HydrophobicContact CG1-CD1 3.95Å; V292-L296 HydrophobicContact CG1-CG 4.23Å; V292-L296 VanDerWaalsContact O-CG 3.31Å; V292-L296 WeakPolarHBondContact O-CG 3.46Å; V292-L296 PolarHBondContact O-N 3.12Å; V292-I474 HydrophobicContact CG1-CD1 3.66Å
293	H	79.4	Confident	78.3	Confident	12 Å²	12	64.8 Å²	64.8	6%	0.056	34%	0.34	C	S	.	.	H	α-helix	trans	-53.9	-52.7	175	-178.2	58.3	0	0	0	111.5	I289 V295 L296 D297 I474 D475 F478	I289-H293 WeakPolarHBondContact O-CB 3.47Å; I289-H293 PolarHBondContact O-N 2.95Å; H293-V295 VanDerWaalsContact C-N 3.3Å; H293-V295 PolarHBondContact O-N 2.94Å; H293-L296 PolarHBondContact O-N 3.4Å; H293-L296 VanDerWaalsContact O-N 3.09Å; H293-D297 IonicContact CD2-OD2 2.95Å; H293-D297 IonicContact CE1-OD1 3.41Å; H293-D297 IonicContact CE1-OD2 2.97Å; H293-D297 IonicContact NE2-OD2 3.32Å; H293-D297 PolarHBondContact NE2-OD2 3.06Å; H293-D297 PolarHBondContact O-N 3.37Å; H293-I474 HydrophobicContact CB-CG2 3.45Å; H293-I474 VanDerWaalsContact CB-CG2 3.45Å; H293-D475 IonicContact CE1-OD1 3.84Å; H293-D475 PolarHBondContact CE1-OD1 2.93Å; H293-D475 IonicContact ND1-OD1 3.75Å; H293-D475 PolarHBondContact ND1-OD1 2.78Å; H293-F478 AromaticContact NE2-CD1 3.84Å
294	A	79.2	Confident	78.9	Confident	47 Å²	47	64.6 Å²	64.6	39%	0.388	34%	0.339	S	S	.	.	H	α-helix	trans	-60.8	-36.9	179.7	0	0	0	0	0	113.1	S290 M291 V292 F298	S290-A294 WeakPolarHBondContact O-CB 3.31Å; S290-A294 PolarHBondContact O-N 3.15Å; M291-A294 PolarHBondContact O-N 3.32Å; V292-A294 PolarHBondContact O-N 3.24Å; A294-F298 WeakPolarHBondContact O-CB 3.4Å; A294-F298 PolarHBondContact O-N 2.87Å; A294-F298 VanDerWaalsContact O-N 3.1Å
295	V	83.1	Confident	79.6	Confident	84 Å²	84	61.3 Å²	61.3	51%	0.509	32%	0.323	S	S	.	.	H	α-helix	trans	-68	-42.7	175	171.7	0	0	0	0	111	M291 V292 H293 F298 L299	M291-V295 VanDerWaalsContact O-CG2 3.32Å; M291-V295 WeakPolarHBondContact O-CG2 3.39Å; M291-V295 PolarHBondContact O-N 3.3Å; V292-V295 PolarHBondContact O-N 3.35Å; H293-V295 VanDerWaalsContact C-N 3.3Å; H293-V295 PolarHBondContact O-N 2.94Å; V295-F298 PolarHBondContact O-N 3.43Å; V295-L299 HydrophobicContact CG1-CD1 3.96Å; V295-L299 HydrophobicContact CG1-CG 4.35Å; V295-L299 WeakPolarHBondContact O-CB 3.49Å; V295-L299 VanDerWaalsContact O-CG 3.26Å; V295-L299 WeakPolarHBondContact O-CG 3.48Å; V295-L299 PolarHBondContact O-N 3Å
296	L	80.8	Confident	79.9	Confident	21 Å²	21	59.4 Å²	59.4	11%	0.11	31%	0.313	C	S	.	.	H	α-helix	trans	-66.5	-41.3	179.4	-70.6	178.2	0	0	0	112.2	V292 H293 F298 L299 A300 F470 N471 I474	V292-L296 HydrophobicContact CG1-CD1 3.95Å; V292-L296 HydrophobicContact CG1-CG 4.23Å; V292-L296 VanDerWaalsContact O-CG 3.31Å; V292-L296 WeakPolarHBondContact O-CG 3.46Å; V292-L296 PolarHBondContact O-N 3.12Å; H293-L296 PolarHBondContact O-N 3.4Å; H293-L296 VanDerWaalsContact O-N 3.09Å; L296-F298 PolarHBondContact O-N 2.96Å; L296-L299 PolarHBondContact O-N 3.05Å; L296-A300 WeakPolarHBondContact O-CB 3.11Å; L296-A300 PolarHBondContact O-N 3.36Å; L296-F470 HydrophobicContact CD1-CB 3.85Å; L296-N471 WeakPolarHBondContact CB-OD1 3.38Å; L296-I474 HydrophobicContact CD1-CD1 3.46Å; L296-I474 VanDerWaalsContact CD1-CD1 3.46Å
297	D	79.4	Confident	80.1	Confident	23 Å²	23	61.4 Å²	61.4	12%	0.123	32%	0.321	C	S	.	.	H	α-helix	trans	-58	-48.3	171.9	-81.4	-3.4	0	0	0	111.2	H293 L299 A300 F301	H293-D297 IonicContact CD2-OD2 2.95Å; H293-D297 IonicContact CE1-OD1 3.41Å; H293-D297 IonicContact CE1-OD2 2.97Å; H293-D297 IonicContact NE2-OD2 3.32Å; H293-D297 PolarHBondContact NE2-OD2 3.06Å; H293-D297 PolarHBondContact O-N 3.37Å; D297-L299 VanDerWaalsContact C-N 3.33Å; D297-L299 PolarHBondContact O-N 3.01Å; D297-A300 WeakPolarHBondContact O-CB 3.46Å; D297-A300 PolarHBondContact O-N 3.46Å; D297-A300 VanDerWaalsContact O-N 3.17Å; D297-F301 HydrophobicContact CB-CE2 4.06Å; D297-F301 WeakPolarHBondContact O-CD2 3.47Å; D297-F301 VanDerWaalsContact O-CG 3.29Å; D297-F301 WeakPolarHBondContact O-CG 3.26Å; D297-F301 PolarHBondContact O-N 3.26Å
298	F	82.5	Confident	80.3	Confident	136 Å²	136	57.7 Å²	57.7	60%	0.596	30%	0.301	S	S	*	.	H	α-helix	trans	-60.6	-42.5	177.7	178.6	-101	0	0	0	112.2	A294 V295 L296 A300 F301 R302	A294-F298 WeakPolarHBondContact O-CB 3.4Å; A294-F298 PolarHBondContact O-N 2.87Å; A294-F298 VanDerWaalsContact O-N 3.1Å; V295-F298 PolarHBondContact O-N 3.43Å; L296-F298 PolarHBondContact O-N 2.96Å; F298-A300 VanDerWaalsContact C-N 3.35Å; F298-F301 PolarHBondContact O-N 2.78Å; F298-R302 WeakPolarHBondContact O-CB 3.43Å; F298-R302 PolarHBondContact O-N 2.92Å
299	L	81.9	Confident	80.5	Confident	65 Å²	65	61.2 Å²	61.2	34%	0.34	31%	0.308	S	S	.	.	H	α-helix	trans	-66	-37.6	176.1	-71.7	174.2	0	0	0	111.9	V295 L296 D297 R302 N303	V295-L299 HydrophobicContact CG1-CD1 3.96Å; V295-L299 HydrophobicContact CG1-CG 4.35Å; V295-L299 WeakPolarHBondContact O-CB 3.49Å; V295-L299 VanDerWaalsContact O-CG 3.26Å; V295-L299 WeakPolarHBondContact O-CG 3.48Å; V295-L299 PolarHBondContact O-N 3Å; L296-L299 PolarHBondContact O-N 3.05Å; D297-L299 VanDerWaalsContact C-N 3.33Å; D297-L299 PolarHBondContact O-N 3.01Å; L299-R302 PolarHBondContact O-N 3.42Å; L299-N303 VanDerWaalsContact O-CB 3.3Å; L299-N303 WeakPolarHBondContact O-CB 3.47Å; L299-N303 PolarHBondContact O-N 2.89Å
300	A	77.7	Confident	80.5	Confident	39 Å²	39	67.8 Å²	67.8	32%	0.322	33%	0.331	S	S	.	.	H	α-helix	trans	-63.5	-48.9	175.3	0	0	0	0	0	110.8	L296 D297 F298 R302 N303 D304	L296-A300 WeakPolarHBondContact O-CB 3.11Å; L296-A300 PolarHBondContact O-N 3.36Å; D297-A300 WeakPolarHBondContact O-CB 3.46Å; D297-A300 PolarHBondContact O-N 3.46Å; D297-A300 VanDerWaalsContact O-N 3.17Å; F298-A300 VanDerWaalsContact C-N 3.35Å; A300-R302 PolarHBondContact O-N 3.06Å; A300-N303 PolarHBondContact O-N 3.34Å; A300-D304 WeakPolarHBondContact O-CB 3.26Å; A300-D304 PolarHBondContact O-N 3.33Å
301	F	83.2	Confident	80.4	Confident	36 Å²	36	68.5 Å²	68.5	16%	0.158	33%	0.332	C	S	.	.	H	α-helix	trans	-59.6	-45.1	175.1	-63.1	-37.9	0	0	0	112.4	D297 F298 N303 D304 V305 P348 I351 S352 I355	D297-F301 HydrophobicContact CB-CE2 4.06Å; D297-F301 WeakPolarHBondContact O-CD2 3.47Å; D297-F301 VanDerWaalsContact O-CG 3.29Å; D297-F301 WeakPolarHBondContact O-CG 3.26Å; D297-F301 PolarHBondContact O-N 3.26Å; F298-F301 PolarHBondContact O-N 2.78Å; F301-N303 PolarHBondContact O-N 3.41Å; F301-D304 PolarHBondContact O-N 3.33Å; F301-V305 WeakPolarHBondContact O-CB 3.4Å; F301-V305 VanDerWaalsContact O-CG2 3.29Å; F301-V305 WeakPolarHBondContact O-CG2 3.25Å; F301-V305 PolarHBondContact O-N 3.07Å; F301-P348 HydrophobicContact CE2-CB 4.14Å; F301-P348 HydrophobicContact CZ-CB 4Å; F301-P348 WeakPolarHBondContact CZ-O 3.47Å; F301-I351 HydrophobicContact CD2-CG2 4.01Å; F301-I351 HydrophobicContact CE2-CB 4.37Å; F301-I351 HydrophobicContact CE2-CG2 4.12Å; F301-I351 HydrophobicContact CG-CG2 4.26Å; F301-I351 HydrophobicContact CZ-CG2 4.48Å; F301-S352 WeakPolarHBondContact CE1-OG 3.45Å; F301-S352 WeakPolarHBondContact CZ-OG 3.33Å; F301-I355 HydrophobicContact CB-CD1 3.85Å; F301-I355 HydrophobicContact CD1-CD1 3.67Å; F301-I355 HydrophobicContact CG-CD1 3.89Å
302	R	84.2	Confident	79.9	Confident	148 Å²	148	68.3 Å²	68.3	56%	0.558	34%	0.338	S	S	*	.	H	α-helix	trans	-60	-47.8	177.6	-179.9	-178.6	174.1	-176.9	2.3	111.3	F298 L299 A300 D304 V305 D306	F298-R302 WeakPolarHBondContact O-CB 3.43Å; F298-R302 PolarHBondContact O-N 2.92Å; L299-R302 PolarHBondContact O-N 3.42Å; A300-R302 PolarHBondContact O-N 3.06Å; R302-D304 VanDerWaalsContact C-N 3.33Å; R302-D304 PolarHBondContact O-N 3.41Å; R302-V305 PolarHBondContact O-N 3.11Å; R302-D306 IonicContact NE-OD2 3.77Å; R302-D306 VanDerWaalsContact O-CB 3.3Å; R302-D306 WeakPolarHBondContact O-CB 3.29Å; R302-D306 VanDerWaalsContact O-CG 3.27Å; R302-D306 PolarHBondContact O-N 3.26Å
303	N	80.2	Confident	79.2	Confident	68 Å²	68	67.5 Å²	67.5	36%	0.364	33%	0.331	S	S	.	.	H	α-helix	trans	-63.7	-41.6	-179.5	-171.7	17.3	0	0	0	111.4	L299 A300 F301 D306 F307	L299-N303 VanDerWaalsContact O-CB 3.3Å; L299-N303 WeakPolarHBondContact O-CB 3.47Å; L299-N303 PolarHBondContact O-N 2.89Å; A300-N303 PolarHBondContact O-N 3.34Å; F301-N303 PolarHBondContact O-N 3.41Å; N303-D306 PolarHBondContact O-N 2.85Å; N303-F307 VanDerWaalsContact O-CB 3.25Å; N303-F307 WeakPolarHBondContact O-CB 3.49Å; N303-F307 PolarHBondContact O-N 2.85Å
304	D	81.4	Confident	78.6	Confident	45 Å²	45	67.3 Å²	67.3	24%	0.241	33%	0.33	C	S	.	.	H	α-helix	trans	-63.8	-48	177.2	-172.9	41.8	0	0	0	111.6	A300 F301 R302 D306 F307 W308 I355 K359	A300-D304 WeakPolarHBondContact O-CB 3.26Å; A300-D304 PolarHBondContact O-N 3.33Å; F301-D304 PolarHBondContact O-N 3.33Å; R302-D304 VanDerWaalsContact C-N 3.33Å; R302-D304 PolarHBondContact O-N 3.41Å; D304-D306 VanDerWaalsContact C-N 3.35Å; D304-D306 PolarHBondContact O-N 2.79Å; D304-F307 PolarHBondContact O-N 3.27Å; D304-W308 WeakPolarHBondContact O-CB 3.45Å; D304-W308 VanDerWaalsContact O-CD1 3.26Å; D304-W308 PolarHBondContact O-N 3.17Å; D304-W308 PolarHBondContact OD1-NE1 2.96Å; D304-I355 WeakPolarHBondContact OD2-CG2 3.47Å; D304-K359 VanDerWaalsContact CG-NZ 3.28Å; D304-K359 WeakPolarHBondContact OD1-CE 3.28Å; D304-K359 IonicContact OD1-NZ 2.79Å; D304-K359 PolarHBondContact OD1-NZ 3.45Å; D304-K359 VanDerWaalsContact OD1-NZ 3.14Å; D304-K359 WeakPolarHBondContact OD2-CE 3.35Å; D304-K359 IonicContact OD2-NZ 3.28Å; D304-K359 PolarHBondContact OD2-NZ 3.11Å
305	V	84.4	Confident	77.7	Confident	35 Å²	35	68.3 Å²	68.3	21%	0.212	33%	0.327	C	S	.	.	H	α-helix	trans	-60.6	-43.1	175	172	0	0	0	0	111.6	F301 R302 R309 I355	F301-V305 WeakPolarHBondContact O-CB 3.4Å; F301-V305 VanDerWaalsContact O-CG2 3.29Å; F301-V305 WeakPolarHBondContact O-CG2 3.25Å; F301-V305 PolarHBondContact O-N 3.07Å; R302-V305 PolarHBondContact O-N 3.11Å; V305-R309 WeakPolarHBondContact O-CB 3.45Å; V305-R309 PolarHBondContact O-N 3.29Å; V305-I355 HydrophobicContact CG2-CD1 4.12Å; V305-I355 HydrophobicContact CG2-CG1 4.19Å; V305-I355 HydrophobicContact CG2-CG2 4.31Å
306	D	81	Confident	76.7	Confident	49 Å²	49	66.8 Å²	66.8	26%	0.262	33%	0.328	S	S	.	.	H	α-helix	trans	-66.9	-38.9	178.7	-76.8	-19.9	0	0	0	112	R302 N303 D304 R310	R302-D306 IonicContact NE-OD2 3.77Å; R302-D306 VanDerWaalsContact O-CB 3.3Å; R302-D306 WeakPolarHBondContact O-CB 3.29Å; R302-D306 VanDerWaalsContact O-CG 3.27Å; R302-D306 PolarHBondContact O-N 3.26Å; N303-D306 PolarHBondContact O-N 2.85Å; D304-D306 VanDerWaalsContact C-N 3.35Å; D304-D306 PolarHBondContact O-N 2.79Å; D306-R310 WeakPolarHBondContact O-CG 3.41Å; D306-R310 PolarHBondContact O-N 3.04Å; D306-R310 PolarHBondContact O-NE 3.48Å
307	F	77.6	Confident	76.1	Confident	50 Å²	50	67.4 Å²	67.4	22%	0.219	33%	0.331	C	S	.	.	H	α-helix	trans	-62.8	-53.6	174.8	174.4	-98.9	0	0	0	111	N303 D304 R309 R310 K311 F519 V521	N303-F307 VanDerWaalsContact O-CB 3.25Å; N303-F307 WeakPolarHBondContact O-CB 3.49Å; N303-F307 PolarHBondContact O-N 2.85Å; D304-F307 PolarHBondContact O-N 3.27Å; F307-R309 VanDerWaalsContact C-N 3.3Å; F307-R309 PolarHBondContact O-N 3.34Å; F307-R310 PolarHBondContact O-N 3.36Å; F307-K311 HydrophobicContact CE1-CD 3.98Å; F307-K311 HydrophobicContact CZ-CD 3.76Å; F307-K311 PolarHBondContact O-N 3.24Å; F307-K311 VanDerWaalsContact O-N 3.13Å; F307-F519 WeakPolarHBondContact CZ-O 3.11Å; F307-V521 HydrophobicContact CE2-CG2 4.14Å
308	W	78.2	Confident	75.7	Confident	16 Å²	16	66.5 Å²	66.5	6%	0.061	33%	0.327	C	S	.	.	H	α-helix	trans	-65.3	-34.3	179.9	-83.3	91.3	0	0	0	112	D304 R310 M314 L317 I322 W358 K359 K362 I363	D304-W308 WeakPolarHBondContact O-CB 3.45Å; D304-W308 VanDerWaalsContact O-CD1 3.26Å; D304-W308 PolarHBondContact O-N 3.17Å; D304-W308 PolarHBondContact OD1-NE1 2.96Å; W308-R310 PolarHBondContact O-N 3.44Å; W308-M314 HydrophobicContact CZ3-SD 4.15Å; W308-L317 HydrophobicContact CH2-CD1 3.66Å; W308-L317 HydrophobicContact CZ2-CD1 4.2Å; W308-L317 HydrophobicContact CZ3-CD1 4.24Å; W308-I322 HydrophobicContact CH2-CD1 3.57Å; W308-I322 HydrophobicContact CZ2-CD1 4.16Å; W308-W358 HydrophobicContact CB-CH2 3.91Å; W308-W358 HydrophobicContact CB-CZ3 3.6Å; W308-K359 HydrophobicContact CD2-CB 4.44Å; W308-K359 HydrophobicContact CD2-CD 3.91Å; W308-K359 HydrophobicContact CD2-CG 3.72Å; W308-K359 HydrophobicContact CE3-CB 4.4Å; W308-K359 HydrophobicContact CE3-CG 4.13Å; W308-K359 HydrophobicContact CG-CD 4.13Å; W308-K359 HydrophobicContact CG-CG 3.9Å; W308-K359 HydrophobicContact CZ2-CD 3.96Å; W308-K359 HydrophobicContact CZ2-CG 4.45Å; W308-K359 VanDerWaalsContact NE1-CE 3.26Å; W308-K362 PolarHBondContact O-NZ 2.86Å; W308-I363 HydrophobicContact CH2-CD1 3.96Å; W308-I363 HydrophobicContact CH2-CG1 4.4Å; W308-I363 HydrophobicContact CZ3-CD1 3.9Å; W308-I363 HydrophobicContact CZ3-CG1 3.92Å
309	R	82.5	Confident	75.4	Confident	164 Å²	164	62.1 Å²	62.1	62%	0.619	31%	0.306	S	S	*	.	H	α-helix	trans	-61.1	-42.6	176	-172.6	179.8	-65.9	-169.1	-0.1	111.8	V305 F307 W358 K362	V305-R309 WeakPolarHBondContact O-CB 3.45Å; V305-R309 PolarHBondContact O-N 3.29Å; F307-R309 VanDerWaalsContact C-N 3.3Å; F307-R309 PolarHBondContact O-N 3.34Å; R309-W358 HydrophobicContact CB-CH2 4.44Å; R309-K362 PolarHBondContact O-NZ 3.45Å; R309-K362 VanDerWaalsContact O-NZ 3.09Å
310	R	79.5	Confident	75.1	Confident	176 Å²	176	65.3 Å²	65.3	66%	0.664	31%	0.314	S	S	*	.	H	α-helix	trans	-76.2	-30.1	-178.3	-72.1	-176.6	-70.4	-120.7	-3.3	114.2	D306 F307 W308 T312	D306-R310 WeakPolarHBondContact O-CG 3.41Å; D306-R310 PolarHBondContact O-N 3.04Å; D306-R310 PolarHBondContact O-NE 3.48Å; F307-R310 PolarHBondContact O-N 3.36Å; W308-R310 PolarHBondContact O-N 3.44Å; R310-T312 PolarHBondContact O-N 3.13Å
311	K	72.4	Confident	75	Confident	33 Å²	33	65.5 Å²	65.5	14%	0.143	31%	0.311	C	S	.	.			trans	-72.7	120.7	-176.7	-162.2	164.1	-174.3	176.3	0	111.2	F307 D313 L317 K362	F307-K311 HydrophobicContact CE1-CD 3.98Å; F307-K311 HydrophobicContact CZ-CD 3.76Å; F307-K311 PolarHBondContact O-N 3.24Å; F307-K311 VanDerWaalsContact O-N 3.13Å; K311-D313 VanDerWaalsContact CE-O 3.25Å; K311-D313 WeakPolarHBondContact CE-O 3.24Å; K311-D313 WeakPolarHBondContact CG-O 3.18Å; K311-L317 HydrophobicContact CD-CD1 4.06Å; K311-K362 WeakPolarHBondContact O-CE 3.04Å; K311-K362 PolarHBondContact O-NZ 2.57Å
312	T	67.9	Low	74.9	Confident	122 Å²	122	64.2 Å²	64.2	75%	0.748	31%	0.306	S	S	*	.			trans	-106.9	-32	177.1	53.8	0	0	0	0	112.7	R310	R310-T312 PolarHBondContact O-N 3.13Å
313	D	67	Low	75	Confident	48 Å²	48	60.9 Å²	60.9	26%	0.257	30%	0.298	S	S	.	.			trans	-94	125.9	177.7	-161.1	0.3	0	0	0	109.9	K311 Q315 P532	K311-D313 VanDerWaalsContact CE-O 3.25Å; K311-D313 WeakPolarHBondContact CE-O 3.24Å; K311-D313 WeakPolarHBondContact CG-O 3.18Å; D313-Q315 VanDerWaalsContact OD1-CG 3.32Å; D313-Q315 WeakPolarHBondContact OD1-CG 3.44Å; D313-P532 HydrophobicContact CB-CG 4.49Å
314	M	67.6	Low	75.1	Confident	9 Å²	9	60.5 Å²	60.5	4%	0.044	29%	0.292	C	S	.	.			trans	-97	9.4	-174.7	-57.2	-60.4	177.5	0	0	112.2	W308 G316 L317 K362 I363 E386	W308-M314 HydrophobicContact CZ3-SD 4.15Å; M314-G316 PolarHBondContact O-N 2.98Å; M314-L317 PolarHBondContact O-N 3.14Å; M314-K362 HydrophobicContact CE-CD 4.35Å; M314-K362 HydrophobicContact CE-CG 4.09Å; M314-I363 HydrophobicContact SD-CG1 4.36Å; M314-E386 HydrophobicContact CB-CG 4.36Å
315	Q	59.6	Low	75.3	Confident	68 Å²	68	64 Å²	64	32%	0.318	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	135.4	174.4	-69.6	-178.6	18.6	0	0	111.6	D313 L317 D385	D313-Q315 VanDerWaalsContact OD1-CG 3.32Å; D313-Q315 WeakPolarHBondContact OD1-CG 3.44Å; Q315-L317 VanDerWaalsContact C-N 3.33Å; Q315-D385 HydrophobicContact CG-CB 3.82Å; Q315-D385 PolarHBondContact NE2-OD2 3.4Å; Q315-D385 VanDerWaalsContact NE2-OD2 3.08Å
316	G	62.8	Low	75.6	Confident	51 Å²	51	63 Å²	63	53%	0.526	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	5.6	-178.4	0	0	0	0	0	115.6	M314 S389	M314-G316 PolarHBondContact O-N 2.98Å; G316-S389 PolarHBondContact N-OG 3.45Å
317	L	67.8	Low	76	Confident	35 Å²	35	64.7 Å²	64.7	18%	0.183	30%	0.3	C	S	.	.			trans	-118.4	114	172.8	-69.6	165	0	0	0	109	W308 K311 M314 Q315 I322	W308-L317 HydrophobicContact CH2-CD1 3.66Å; W308-L317 HydrophobicContact CZ2-CD1 4.2Å; W308-L317 HydrophobicContact CZ3-CD1 4.24Å; K311-L317 HydrophobicContact CD-CD1 4.06Å; M314-L317 PolarHBondContact O-N 3.14Å; Q315-L317 VanDerWaalsContact C-N 3.33Å; L317-I322 HydrophobicContact CB-CD1 4.34Å
318	S	70.9	Confident	76.6	Confident	3 Å²	3	63.1 Å²	63.1	2%	0.021	30%	0.295	C	S	.	.			trans	-75.1	136.4	172.7	-178.4	0	0	0	0	111.7	R320 T321 I322 D390 D393	S318-R320 PolarHBondContact O-N 3.41Å; S318-R320 PolarHBondContact OG-N 3.42Å; S318-T321 PolarHBondContact O-N 3.37Å; S318-I322 PolarHBondContact O-N 3.1Å; S318-D390 VanDerWaalsContact CA-OD1 3.25Å; S318-D390 WeakPolarHBondContact CA-OD1 3.45Å; S318-D390 WeakPolarHBondContact CB-OD1 3.39Å; S318-D390 PolarHBondContact OG-OD1 2.98Å; S318-D393 VanDerWaalsContact CB-CG 3.46Å; S318-D393 WeakPolarHBondContact CB-OD2 3.24Å
319	R	75.7	Confident	77.2	Confident	44 Å²	44	64.1 Å²	64.1	17%	0.166	30%	0.301	C	S	.	.	H	α-helix	trans	-61	-36.5	173.6	-56.4	177.7	179.2	-163.8	-6.2	111.1	I322 I323 I363 E386 D390	R319-I322 PolarHBondContact O-N 3.28Å; R319-I323 WeakPolarHBondContact O-CG1 3.42Å; R319-I323 PolarHBondContact O-N 3.36Å; R319-I363 HydrophobicContact CB-CG2 4.45Å; R319-I363 HydrophobicContact CG-CG2 3.79Å; R319-E386 IonicContact CZ-OE2 3.99Å; R319-E386 IonicContact NE-OE2 2.85Å; R319-E386 IonicContact NH2-OE2 2.82Å; R319-E386 PolarHBondContact NH2-OE2 2.94Å; R319-D390 WeakPolarHBondContact CD-OD2 3.45Å; R319-D390 PolarHBondContact N-OD1 3.1Å; R319-D390 IonicContact NE-OD2 4Å
320	R	75.1	Confident	77.7	Confident	132 Å²	132	59.3 Å²	59.3	50%	0.498	29%	0.286	S	S	.	.	H	α-helix	trans	-66.9	-43	-177.9	-64.3	-177	179.8	-162.3	4	111.6	S318 I322 I323 W324	S318-R320 PolarHBondContact O-N 3.41Å; S318-R320 PolarHBondContact OG-N 3.42Å; R320-I322 VanDerWaalsContact C-N 3.26Å; R320-I322 PolarHBondContact O-N 2.82Å; R320-I323 PolarHBondContact O-N 3.16Å; R320-W324 WeakPolarHBondContact O-CB 3.26Å; R320-W324 PolarHBondContact O-N 3.34Å
321	T	75.6	Confident	78.3	Confident	44 Å²	44	51.2 Å²	51.2	27%	0.27	26%	0.257	S	S	.	.	H	α-helix	trans	-60.7	-37.9	178.2	-58.3	0	0	0	0	111.3	S318 W324 R325 D393	S318-T321 PolarHBondContact O-N 3.37Å; T321-W324 PolarHBondContact O-N 3.29Å; T321-R325 VanDerWaalsContact O-CG 3.3Å; T321-R325 WeakPolarHBondContact O-CG 3.31Å; T321-R325 PolarHBondContact O-N 2.85Å; T321-D393 PolarHBondContact OG1-OD2 3.45Å
322	I	82	Confident	79.1	Confident	9 Å²	9	50.9 Å²	50.9	5%	0.046	26%	0.256	C	S	.	.	H	α-helix	trans	-76.3	-37.7	-179.6	-62	168.6	0	0	0	111.8	W308 L317 S318 R319 R320 W324 R325 L326 L360 I363	W308-I322 HydrophobicContact CH2-CD1 3.57Å; W308-I322 HydrophobicContact CZ2-CD1 4.16Å; L317-I322 HydrophobicContact CB-CD1 4.34Å; S318-I322 PolarHBondContact O-N 3.1Å; R319-I322 PolarHBondContact O-N 3.28Å; R320-I322 VanDerWaalsContact C-N 3.26Å; R320-I322 PolarHBondContact O-N 2.82Å; I322-W324 VanDerWaalsContact C-N 3.3Å; I322-W324 PolarHBondContact O-N 3.35Å; I322-R325 PolarHBondContact O-N 2.79Å; I322-L326 PolarHBondContact O-N 2.99Å; I322-L360 HydrophobicContact CG2-CD1 4.48Å; I322-I363 HydrophobicContact CB-CD1 4.11Å; I322-I363 HydrophobicContact CD1-CD1 3.3Å; I322-I363 HydrophobicContact CD1-CG1 4.43Å; I322-I363 HydrophobicContact CG1-CD1 4.25Å; I322-I363 HydrophobicContact CG2-CD1 3.68Å
323	I	85.4	Confident	80.3	Confident	78 Å²	78	47.6 Å²	47.6	40%	0.4	23%	0.232	S	C	.	.	H	α-helix	trans	-59.2	-44.8	170.3	-69.3	162.3	0	0	0	110.5	R319 R320 L326 F327 L360 F364	R319-I323 WeakPolarHBondContact O-CG1 3.42Å; R319-I323 PolarHBondContact O-N 3.36Å; R320-I323 PolarHBondContact O-N 3.16Å; I323-L326 PolarHBondContact O-N 3Å; I323-F327 WeakPolarHBondContact O-CB 3.37Å; I323-F327 PolarHBondContact O-N 3.26Å; I323-L360 HydrophobicContact CB-CD1 4.47Å; I323-L360 HydrophobicContact CG1-CD1 3.52Å; I323-F364 HydrophobicContact CD1-CZ 4.1Å
324	W	83.8	Confident	81.6	Confident	59 Å²	59	49.7 Å²	49.7	22%	0.223	24%	0.239	C	C	.	.	H	α-helix	trans	-63.4	-42.7	179	-179.6	-105	0	0	0	112	R320 T321 I322 F327 S328 F439 F443	R320-W324 WeakPolarHBondContact O-CB 3.26Å; R320-W324 PolarHBondContact O-N 3.34Å; T321-W324 PolarHBondContact O-N 3.29Å; I322-W324 VanDerWaalsContact C-N 3.3Å; I322-W324 PolarHBondContact O-N 3.35Å; W324-F327 HydrophobicContact CE3-CD1 4Å; W324-F327 HydrophobicContact CH2-CD1 4.12Å; W324-F327 HydrophobicContact CH2-CE1 4.06Å; W324-F327 AromaticContact CZ3-CD1 3.69Å; W324-F327 HydrophobicContact CZ3-CD1 3.69Å; W324-F327 AromaticContact CZ3-CE1 3.86Å; W324-F327 HydrophobicContact CZ3-CE1 3.86Å; W324-F327 PolarHBondContact O-N 2.78Å; W324-S328 PolarHBondContact O-N 2.93Å; W324-S328 PolarHBondContact O-OG 3.41Å; W324-F439 HydrophobicContact CH2-CD1 4.5Å; W324-F439 AromaticContact CH2-CD2 3.95Å; W324-F439 HydrophobicContact CH2-CD2 3.95Å; W324-F439 HydrophobicContact CH2-CE2 4.07Å; W324-F439 HydrophobicContact CH2-CG 4.2Å; W324-F439 HydrophobicContact CH2-CZ 4.37Å; W324-F439 HydrophobicContact CZ2-CB 3.71Å; W324-F439 AromaticContact CZ2-CD1 3.92Å; W324-F439 HydrophobicContact CZ2-CD1 3.92Å; W324-F439 AromaticContact CZ2-CD2 3.67Å; W324-F439 HydrophobicContact CZ2-CD2 3.67Å; W324-F439 HydrophobicContact CZ2-CE1 4.4Å; W324-F439 HydrophobicContact CZ2-CE2 4.23Å; W324-F439 AromaticContact CZ2-CG 3.53Å; W324-F439 HydrophobicContact CZ2-CG 3.53Å; W324-F443 AromaticContact CD1-CE2 3.45Å; W324-F443 VanDerWaalsContact CD1-CE2 3.45Å; W324-F443 AromaticContact CD1-CZ 3.86Å; W324-F443 AromaticContact CE2-CE2 3.92Å; W324-F443 HydrophobicContact CG-CE2 4.29Å; W324-F443 HydrophobicContact CG-CZ 4.42Å; W324-F443 AromaticContact NE1-CD2 3.78Å; W324-F443 AromaticContact NE1-CE2 3.18Å
325	R	84.8	Confident	82.6	Confident	118 Å²	118	49.4 Å²	49.4	45%	0.445	24%	0.237	S	C	.	.	H	α-helix	trans	-57.2	-56	173.5	-75.6	176.6	65.1	150.6	4.2	110.9	T321 I322 F327 S328 E329 E356	T321-R325 VanDerWaalsContact O-CG 3.3Å; T321-R325 WeakPolarHBondContact O-CG 3.31Å; T321-R325 PolarHBondContact O-N 2.85Å; I322-R325 PolarHBondContact O-N 2.79Å; R325-F327 VanDerWaalsContact C-N 3.26Å; R325-F327 PolarHBondContact O-N 3.21Å; R325-F327 VanDerWaalsContact O-N 3.15Å; R325-S328 WeakPolarHBondContact CA-OG 2.99Å; R325-S328 CarbonylContact O-C 3.59Å; R325-S328 WeakPolarHBondContact O-CA 3.15Å; R325-S328 WeakPolarHBondContact O-CB 3.44Å; R325-S328 PolarHBondContact O-N 3.33Å; R325-S328 PolarHBondContact O-OG 2.95Å; R325-E329 PolarHBondContact O-N 3.47Å; R325-E356 IonicContact CZ-OE1 2.87Å; R325-E356 IonicContact NE-OE1 2.77Å; R325-E356 IonicContact NH2-OE1 2.82Å; R325-E356 PolarHBondContact NH2-OE1 2.8Å
326	L	89.8	Confident	83.9	Confident	15 Å²	15	46.2 Å²	46.2	8%	0.079	22%	0.222	C	C	.	.	H	α-helix	trans	-52.2	-44.8	177.5	176.1	62.8	0	0	0	112.7	I322 I323 E329 I330 E356 L357 L360	I322-L326 PolarHBondContact O-N 2.99Å; I323-L326 PolarHBondContact O-N 3Å; L326-E329 PolarHBondContact N-OE2 3.45Å; L326-E329 PolarHBondContact O-N 3.48Å; L326-I330 HydrophobicContact CD1-CD1 3.7Å; L326-I330 HydrophobicContact CD1-CG1 4.08Å; L326-I330 HydrophobicContact CG-CD1 3.82Å; L326-I330 WeakPolarHBondContact O-CB 3.22Å; L326-I330 VanDerWaalsContact O-CG1 3.23Å; L326-I330 WeakPolarHBondContact O-CG1 3.48Å; L326-I330 PolarHBondContact O-N 3.35Å; L326-E356 HydrophobicContact CB-CB 4.38Å; L326-E356 HydrophobicContact CD1-CB 3.96Å; L326-L357 HydrophobicContact CD1-CB 4Å; L326-L357 HydrophobicContact CD2-CD1 3.96Å; L326-L360 HydrophobicContact CD2-CB 4.32Å; L326-L360 HydrophobicContact CD2-CD2 3.76Å; L326-L360 HydrophobicContact CD2-CG 4.43Å
327	F	90.9	Very high	85	Confident	85 Å²	85	47.3 Å²	47.3	37%	0.373	22%	0.216	S	C	.	.	H	α-helix	trans	-60.4	-46.1	175.7	173.8	-101.9	0	0	0	111.7	I323 W324 R325 I330 V331 M432 V436	I323-F327 WeakPolarHBondContact O-CB 3.37Å; I323-F327 PolarHBondContact O-N 3.26Å; W324-F327 HydrophobicContact CE3-CD1 4Å; W324-F327 HydrophobicContact CH2-CD1 4.12Å; W324-F327 HydrophobicContact CH2-CE1 4.06Å; W324-F327 AromaticContact CZ3-CD1 3.69Å; W324-F327 HydrophobicContact CZ3-CD1 3.69Å; W324-F327 AromaticContact CZ3-CE1 3.86Å; W324-F327 HydrophobicContact CZ3-CE1 3.86Å; W324-F327 PolarHBondContact O-N 2.78Å; R325-F327 VanDerWaalsContact C-N 3.26Å; R325-F327 PolarHBondContact O-N 3.21Å; R325-F327 VanDerWaalsContact O-N 3.15Å; F327-I330 PolarHBondContact O-N 2.88Å; F327-V331 HydrophobicContact CD1-CG2 4.47Å; F327-V331 HydrophobicContact CD2-CG2 4.28Å; F327-V331 HydrophobicContact CE1-CG2 4.14Å; F327-V331 HydrophobicContact CE2-CG2 3.93Å; F327-V331 HydrophobicContact CZ-CG2 3.87Å; F327-V331 VanDerWaalsContact O-CG2 3.27Å; F327-V331 WeakPolarHBondContact O-CG2 3.47Å; F327-V331 PolarHBondContact O-N 3.43Å; F327-M432 HydrophobicContact CE1-CE 4.48Å; F327-M432 HydrophobicContact CE2-CE 3.73Å; F327-M432 HydrophobicContact CZ-CE 3.39Å; F327-V436 HydrophobicContact CE1-CG2 4.33Å
328	S	89.4	Confident	85.9	Confident	17 Å²	17	48.1 Å²	48.1	12%	0.119	22%	0.22	C	C	.	.	H	α-helix	trans	-59.8	-47.4	176.3	66.8	0	0	0	0	112.8	W324 R325 I330 V331 I332	W324-S328 PolarHBondContact O-N 2.93Å; W324-S328 PolarHBondContact O-OG 3.41Å; R325-S328 WeakPolarHBondContact CA-OG 2.99Å; R325-S328 CarbonylContact O-C 3.59Å; R325-S328 WeakPolarHBondContact O-CA 3.15Å; R325-S328 WeakPolarHBondContact O-CB 3.44Å; R325-S328 PolarHBondContact O-N 3.33Å; R325-S328 PolarHBondContact O-OG 2.95Å; S328-I330 PolarHBondContact O-N 3.09Å; S328-V331 PolarHBondContact O-N 3.15Å; S328-I332 WeakPolarHBondContact O-CB 3.45Å; S328-I332 WeakPolarHBondContact O-CD1 3.4Å; S328-I332 VanDerWaalsContact O-CG1 3.22Å; S328-I332 WeakPolarHBondContact O-CG1 3.31Å; S328-I332 PolarHBondContact O-N 3.33Å
329	E	90.3	Very high	86.2	Confident	36 Å²	36	51.9 Å²	51.9	17%	0.168	24%	0.236	C	C	.	.	H	α-helix	trans	-63.7	-40.2	179	-85.4	107.4	-168.8	0	0	111.8	R325 L326 I332 F333 A353 E356	R325-E329 PolarHBondContact O-N 3.47Å; L326-E329 PolarHBondContact N-OE2 3.45Å; L326-E329 PolarHBondContact O-N 3.48Å; E329-I332 PolarHBondContact O-N 2.97Å; E329-F333 VanDerWaalsContact O-CB 3.28Å; E329-F333 WeakPolarHBondContact O-CB 3.49Å; E329-F333 PolarHBondContact O-N 3.03Å; E329-A353 HydrophobicContact CB-CB 4.19Å; E329-E356 WeakPolarHBondContact OE2-CG 3.16Å
330	I	93.4	Very high	86.1	Confident	63 Å²	63	57.7 Å²	57.7	32%	0.323	26%	0.258	S	S	.	.	H	α-helix	trans	-64	-46.1	177	-71.6	171.1	0	0	0	111.1	L326 F327 S328 F333 F334 A353	L326-I330 HydrophobicContact CD1-CD1 3.7Å; L326-I330 HydrophobicContact CD1-CG1 4.08Å; L326-I330 HydrophobicContact CG-CD1 3.82Å; L326-I330 WeakPolarHBondContact O-CB 3.22Å; L326-I330 VanDerWaalsContact O-CG1 3.23Å; L326-I330 WeakPolarHBondContact O-CG1 3.48Å; L326-I330 PolarHBondContact O-N 3.35Å; F327-I330 PolarHBondContact O-N 2.88Å; S328-I330 PolarHBondContact O-N 3.09Å; I330-F333 PolarHBondContact O-N 3.08Å; I330-F334 HydrophobicContact CG2-CD2 3.64Å; I330-F334 HydrophobicContact CG2-CE2 3.55Å; I330-F334 WeakPolarHBondContact O-CD2 3.32Å; I330-F334 PolarHBondContact O-N 3.36Å; I330-A353 HydrophobicContact CG1-CB 4.47Å
331	V	92.3	Very high	85.9	Confident	6 Å²	6	51.9 Å²	51.9	4%	0.036	24%	0.238	C	C	.	.	H	α-helix	trans	-62.3	-44.6	178.7	169.8	0	0	0	0	110.8	F327 S328 F334 N335 M432 A433 V436	F327-V331 HydrophobicContact CD1-CG2 4.47Å; F327-V331 HydrophobicContact CD2-CG2 4.28Å; F327-V331 HydrophobicContact CE1-CG2 4.14Å; F327-V331 HydrophobicContact CE2-CG2 3.93Å; F327-V331 HydrophobicContact CZ-CG2 3.87Å; F327-V331 VanDerWaalsContact O-CG2 3.27Å; F327-V331 WeakPolarHBondContact O-CG2 3.47Å; F327-V331 PolarHBondContact O-N 3.43Å; S328-V331 PolarHBondContact O-N 3.15Å; V331-F334 PolarHBondContact O-N 2.89Å; V331-N335 VanDerWaalsContact O-CB 3.31Å; V331-N335 WeakPolarHBondContact O-CB 3.42Å; V331-N335 PolarHBondContact O-N 3.35Å; V331-M432 HydrophobicContact CG1-CB 3.67Å; V331-M432 HydrophobicContact CG2-CE 3.69Å; V331-A433 HydrophobicContact CG1-CB 4.17Å; V331-V436 HydrophobicContact CB-CG2 4.23Å; V331-V436 HydrophobicContact CG1-CG2 4.07Å
332	I	90.2	Very high	85.7	Confident	26 Å²	26	50.3 Å²	50.3	13%	0.133	23%	0.229	C	C	.	.	H	α-helix	trans	-62	-47	177.2	-68.3	166.1	0	0	0	110.3	S328 E329 F334 N335 L336 V349 V436 Y437	S328-I332 WeakPolarHBondContact O-CB 3.45Å; S328-I332 WeakPolarHBondContact O-CD1 3.4Å; S328-I332 VanDerWaalsContact O-CG1 3.22Å; S328-I332 WeakPolarHBondContact O-CG1 3.31Å; S328-I332 PolarHBondContact O-N 3.33Å; E329-I332 PolarHBondContact O-N 2.97Å; I332-F334 PolarHBondContact O-N 3Å; I332-N335 PolarHBondContact O-N 3.42Å; I332-L336 HydrophobicContact CG2-CD1 3.88Å; I332-L336 HydrophobicContact CG2-CG 4.21Å; I332-L336 WeakPolarHBondContact O-CG 3.37Å; I332-L336 PolarHBondContact O-N 2.9Å; I332-V349 HydrophobicContact CG2-CG1 4.1Å; I332-V436 HydrophobicContact CD1-CG1 3.81Å; I332-V436 HydrophobicContact CG1-CG1 3.97Å; I332-Y437 HydrophobicContact CD1-CD1 4.3Å; I332-Y437 HydrophobicContact CD1-CE1 3.76Å; I332-Y437 HydrophobicContact CG1-CE1 3.79Å; I332-Y437 HydrophobicContact CG2-CE1 4.42Å
333	F	92.6	Very high	85.3	Confident	54 Å²	54	52.9 Å²	52.9	24%	0.237	24%	0.243	C	C	.	.	H	α-helix	trans	-55.9	-50.2	178.4	176.1	-110.4	0	0	0	112.1	E329 I330 N335 L336 L337 V346 V349 G350	E329-F333 VanDerWaalsContact O-CB 3.28Å; E329-F333 WeakPolarHBondContact O-CB 3.49Å; E329-F333 PolarHBondContact O-N 3.03Å; I330-F333 PolarHBondContact O-N 3.08Å; F333-N335 PolarHBondContact O-N 3.19Å; F333-L336 PolarHBondContact O-N 3.39Å; F333-L337 HydrophobicContact CD1-CD1 3.95Å; F333-L337 HydrophobicContact CE1-CD1 3.43Å; F333-L337 VanDerWaalsContact CE1-CD1 3.43Å; F333-L337 HydrophobicContact CE1-CG 4.46Å; F333-L337 HydrophobicContact CE2-CD1 4.14Å; F333-L337 HydrophobicContact CE2-CG 4.39Å; F333-L337 HydrophobicContact CZ-CD1 3.55Å; F333-L337 HydrophobicContact CZ-CG 4.26Å; F333-L337 WeakPolarHBondContact O-CG 3.27Å; F333-L337 PolarHBondContact O-N 3.2Å; F333-V346 HydrophobicContact CD2-CG1 4.24Å; F333-V346 HydrophobicContact CE2-CG1 3.75Å; F333-V349 HydrophobicContact CB-CG1 4.07Å; F333-G350 VanDerWaalsContact CD2-CA 3.5Å
334	F	92.7	Very high	84.6	Confident	92 Å²	92	52.3 Å²	52.3	40%	0.404	24%	0.24	S	C	.	.	H	α-helix	trans	-64.2	-40.3	177.4	-78.5	-61	0	0	0	112.2	I330 V331 I332 L336 L337 D338 L429	I330-F334 HydrophobicContact CG2-CD2 3.64Å; I330-F334 HydrophobicContact CG2-CE2 3.55Å; I330-F334 WeakPolarHBondContact O-CD2 3.32Å; I330-F334 PolarHBondContact O-N 3.36Å; V331-F334 PolarHBondContact O-N 2.89Å; I332-F334 PolarHBondContact O-N 3Å; F334-L336 VanDerWaalsContact C-N 3.35Å; F334-L336 PolarHBondContact O-N 3.5Å; F334-L337 HydrophobicContact CD1-CD1 4.34Å; F334-L337 WeakPolarHBondContact O-CB 3.22Å; F334-L337 PolarHBondContact O-N 3.2Å; F334-D338 PolarHBondContact O-N 3.25Å; F334-L429 HydrophobicContact CB-CD1 3.73Å; F334-L429 HydrophobicContact CB-CD2 4.05Å; F334-L429 HydrophobicContact CB-CG 4.48Å; F334-L429 WeakPolarHBondContact O-CD2 3.22Å
335	N	89	Confident	84.3	Confident	3 Å²	3	50 Å²	50	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-64.1	-39.2	177.7	179	64.3	0	0	0	112.2	V331 I332 F333 D338 K339 L429 A433	V331-N335 VanDerWaalsContact O-CB 3.31Å; V331-N335 WeakPolarHBondContact O-CB 3.42Å; V331-N335 PolarHBondContact O-N 3.35Å; I332-N335 PolarHBondContact O-N 3.42Å; F333-N335 PolarHBondContact O-N 3.19Å; N335-D338 PolarHBondContact O-N 3.25Å; N335-K339 WeakPolarHBondContact O-CB 3.44Å; N335-K339 WeakPolarHBondContact O-CG 3.49Å; N335-K339 PolarHBondContact O-N 3.35Å; N335-L429 HydrophobicContact CB-CD2 4.44Å; N335-L429 HydrophobicContact CB-CG 4.07Å; N335-A433 HydrophobicContact CB-CB 3.65Å; N335-A433 VanDerWaalsContact CG-CB 3.41Å; N335-A433 WeakPolarHBondContact ND2-CB 3.37Å
336	L	87.4	Confident	84.4	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.5	-38.2	174.5	-69.5	174.3	0	0	0	111.9	I332 F333 F334 R340 A341 V345 V346 V349 P485 H488	I332-L336 HydrophobicContact CG2-CD1 3.88Å; I332-L336 HydrophobicContact CG2-CG 4.21Å; I332-L336 WeakPolarHBondContact O-CG 3.37Å; I332-L336 PolarHBondContact O-N 2.9Å; F333-L336 PolarHBondContact O-N 3.39Å; F334-L336 VanDerWaalsContact C-N 3.35Å; F334-L336 PolarHBondContact O-N 3.5Å; L336-R340 PolarHBondContact O-N 3.41Å; L336-A341 HydrophobicContact CB-CB 4.08Å; L336-A341 HydrophobicContact CD2-CB 3.75Å; L336-A341 PolarHBondContact O-N 3.27Å; L336-V345 HydrophobicContact CD1-CG1 3.96Å; L336-V346 HydrophobicContact CB-CG2 4Å; L336-V349 HydrophobicContact CD1-CB 4.26Å; L336-V349 HydrophobicContact CD1-CG1 4.27Å; L336-V349 HydrophobicContact CD1-CG2 3.98Å; L336-P485 HydrophobicContact CD2-CG 4.08Å; L336-H488 HydrophobicContact CD2-CB 4.35Å
337	L	86.8	Confident	84.2	Confident	74 Å²	74	48 Å²	48	39%	0.387	23%	0.233	S	C	.	.	H	α-helix	trans	-64.1	-44.2	174	-76.4	173.3	0	0	0	112.5	F333 F334 R340 V346	F333-L337 HydrophobicContact CD1-CD1 3.95Å; F333-L337 HydrophobicContact CE1-CD1 3.43Å; F333-L337 VanDerWaalsContact CE1-CD1 3.43Å; F333-L337 HydrophobicContact CE1-CG 4.46Å; F333-L337 HydrophobicContact CE2-CD1 4.14Å; F333-L337 HydrophobicContact CE2-CG 4.39Å; F333-L337 HydrophobicContact CZ-CD1 3.55Å; F333-L337 HydrophobicContact CZ-CG 4.26Å; F333-L337 WeakPolarHBondContact O-CG 3.27Å; F333-L337 PolarHBondContact O-N 3.2Å; F334-L337 HydrophobicContact CD1-CD1 4.34Å; F334-L337 WeakPolarHBondContact O-CB 3.22Å; F334-L337 PolarHBondContact O-N 3.2Å; L337-R340 PolarHBondContact O-N 3.49Å; L337-V346 HydrophobicContact CD2-CG1 3.63Å; L337-V346 HydrophobicContact CG-CG1 4.06Å
338	D	85.2	Confident	83.9	Confident	52 Å²	52	45 Å²	45	28%	0.278	22%	0.223	S	C	.	.	H	α-helix	trans	-65.3	-43.8	179.6	-172.6	56.1	0	0	0	111.5	F334 N335 R340 S426 L429	F334-D338 PolarHBondContact O-N 3.25Å; N335-D338 PolarHBondContact O-N 3.25Å; D338-R340 PolarHBondContact O-N 2.87Å; D338-S426 WeakPolarHBondContact OD2-CB 3.48Å; D338-S426 PolarHBondContact OD2-OG 3.24Å; D338-L429 HydrophobicContact CB-CD2 3.81Å
339	K	77.2	Confident	83.9	Confident	82 Å²	82	45.3 Å²	45.3	36%	0.357	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	1.8	177.3	-61.7	-57.3	-176.2	-165.6	0	114.3	N335 A341 Q430 P485	N335-K339 WeakPolarHBondContact O-CB 3.44Å; N335-K339 WeakPolarHBondContact O-CG 3.49Å; N335-K339 PolarHBondContact O-N 3.35Å; K339-A341 VanDerWaalsContact C-N 3.28Å; K339-A341 PolarHBondContact O-N 3.23Å; K339-Q430 VanDerWaalsContact CE-OE1 3.31Å; K339-P485 HydrophobicContact CB-CG 3.74Å; K339-P485 HydrophobicContact CG-CG 4.06Å
340	R	74.3	Confident	83.9	Confident	167 Å²	167	44.2 Å²	44.2	63%	0.63	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	45.3	-178.9	-53.7	-179.1	-175.9	-176.8	1.2	112.2	L336 L337 D338	L336-R340 PolarHBondContact O-N 3.41Å; L337-R340 PolarHBondContact O-N 3.49Å; D338-R340 PolarHBondContact O-N 2.87Å
341	A	71.3	Confident	83.8	Confident	9 Å²	9	44.6 Å²	44.6	7%	0.074	22%	0.224	C	C	.	.			trans	-62.4	159.5	174	0	0	0	0	0	111	L336 K339 L343 V346	L336-A341 HydrophobicContact CB-CB 4.08Å; L336-A341 HydrophobicContact CD2-CB 3.75Å; L336-A341 PolarHBondContact O-N 3.27Å; K339-A341 VanDerWaalsContact C-N 3.28Å; K339-A341 PolarHBondContact O-N 3.23Å; A341-L343 PolarHBondContact O-N 3.4Å; A341-V346 HydrophobicContact CB-CG2 4.1Å
342	S	70.1	Confident	83.6	Confident	11 Å²	11	45.7 Å²	45.7	8%	0.077	23%	0.232	C	C	.	.			trans	-54.6	134.6	179.8	-161.9	0	0	0	0	111.4	E270 L344 V345 V346	E270-S342 VanDerWaalsContact OE2-CB 3.27Å; E270-S342 WeakPolarHBondContact OE2-CB 3.43Å; E270-S342 PolarHBondContact OE2-OG 3.43Å; S342-L344 PolarHBondContact O-N 2.91Å; S342-L344 VanDerWaalsContact O-N 3.09Å; S342-V345 PolarHBondContact O-N 3.45Å; S342-V346 WeakPolarHBondContact O-CG2 3.17Å; S342-V346 PolarHBondContact O-N 2.84Å; S342-V346 VanDerWaalsContact O-N 3.15Å
343	L	75	Confident	83.7	Confident	64 Å²	64	45 Å²	45	34%	0.335	23%	0.23	S	C	.	.	H	α-helix	trans	-55.7	-29.2	179.1	-76	170	0	0	0	112	F263 D267 A341 V345 V346 V347	F263-L343 HydrophobicContact CD1-CD1 3.63Å; F263-L343 HydrophobicContact CE1-CD1 3.61Å; F263-L343 HydrophobicContact CZ-CD1 4.48Å; D267-L343 WeakPolarHBondContact OD2-CD1 3.36Å; A341-L343 PolarHBondContact O-N 3.4Å; L343-V345 PolarHBondContact O-N 3.32Å; L343-V346 PolarHBondContact O-N 3.42Å; L343-V347 WeakPolarHBondContact O-CB 3.26Å; L343-V347 VanDerWaalsContact O-CG2 3.31Å; L343-V347 WeakPolarHBondContact O-CG2 3.16Å; L343-V347 PolarHBondContact O-N 3.4Å
344	L	70.5	Confident	83.7	Confident	66 Å²	66	48.1 Å²	48.1	35%	0.346	25%	0.248	S	C	.	.	H	α-helix	trans	-65.2	-24.9	178	-157.8	106.9	0	0	0	112.9	S342 P348 F478	S342-L344 PolarHBondContact O-N 2.91Å; S342-L344 VanDerWaalsContact O-N 3.09Å; L344-P348 WeakPolarHBondContact O-CD 3.39Å; L344-P348 WeakPolarHBondContact O-CG 3.4Å; L344-F478 HydrophobicContact CB-CZ 3.93Å; L344-F478 HydrophobicContact CD2-CD2 4.22Å; L344-F478 HydrophobicContact CD2-CE1 3.9Å; L344-F478 HydrophobicContact CD2-CE2 3.19Å; L344-F478 HydrophobicContact CD2-CZ 3.08Å; L344-F478 HydrophobicContact CG-CE2 4.47Å; L344-F478 HydrophobicContact CG-CZ 4.05Å
345	V	77.9	Confident	83.6	Confident	10 Å²	10	44.7 Å²	44.7	6%	0.061	23%	0.234	C	C	.	.	H	α-helix	trans	-88.8	-43.3	171.8	-173.1	0	0	0	0	110.7	L336 S342 L343 V347 P348 V349 F478 M484	L336-V345 HydrophobicContact CD1-CG1 3.96Å; S342-V345 PolarHBondContact O-N 3.45Å; L343-V345 PolarHBondContact O-N 3.32Å; V345-V347 VanDerWaalsContact C-N 3.32Å; V345-V347 PolarHBondContact O-N 2.9Å; V345-P348 WeakPolarHBondContact O-CD 3.29Å; V345-V349 HydrophobicContact CG1-CG2 4.32Å; V345-V349 WeakPolarHBondContact O-CG2 3.21Å; V345-V349 PolarHBondContact O-N 3.23Å; V345-F478 HydrophobicContact CG2-CD1 4.32Å; V345-F478 HydrophobicContact CG2-CE1 3.41Å; V345-F478 VanDerWaalsContact CG2-CE1 3.41Å; V345-F478 HydrophobicContact CG2-CZ 4.14Å; V345-M484 HydrophobicContact CG2-CE 3.46Å; V345-M484 VanDerWaalsContact CG2-CE 3.46Å; V345-M484 HydrophobicContact CG2-CG 3.98Å; V345-M484 HydrophobicContact CG2-SD 3.73Å
346	V	85.5	Confident	83.6	Confident	9 Å²	9	44.9 Å²	44.9	6%	0.055	24%	0.235	C	C	.	.	H	α-helix	trans	-63.2	-40	-173.4	174.8	0	0	0	0	111.2	F333 L336 L337 A341 S342 L343 G350	F333-V346 HydrophobicContact CD2-CG1 4.24Å; F333-V346 HydrophobicContact CE2-CG1 3.75Å; L336-V346 HydrophobicContact CB-CG2 4Å; L337-V346 HydrophobicContact CD2-CG1 3.63Å; L337-V346 HydrophobicContact CG-CG1 4.06Å; A341-V346 HydrophobicContact CB-CG2 4.1Å; S342-V346 WeakPolarHBondContact O-CG2 3.17Å; S342-V346 PolarHBondContact O-N 2.84Å; S342-V346 VanDerWaalsContact O-N 3.15Å; L343-V346 PolarHBondContact O-N 3.42Å; V346-G350 PolarHBondContact O-N 3.03Å
347	V	86	Confident	83.8	Confident	81 Å²	81	48.8 Å²	48.8	49%	0.491	26%	0.255	S	S	.	.	H	α-helix	trans	-66.7	-52.5	-177.4	170	0	0	0	0	112	L343 V345 V349 G350 I351	L343-V347 WeakPolarHBondContact O-CB 3.26Å; L343-V347 VanDerWaalsContact O-CG2 3.31Å; L343-V347 WeakPolarHBondContact O-CG2 3.16Å; L343-V347 PolarHBondContact O-N 3.4Å; V345-V347 VanDerWaalsContact C-N 3.32Å; V345-V347 PolarHBondContact O-N 2.9Å; V347-V349 PolarHBondContact O-N 2.94Å; V347-G350 PolarHBondContact O-N 3.47Å; V347-I351 HydrophobicContact CG1-CD1 3.92Å; V347-I351 WeakPolarHBondContact O-CG1 3.49Å; V347-I351 PolarHBondContact O-N 2.89Å
348	P	84.9	Confident	83.9	Confident	23 Å²	23	49.7 Å²	49.7	15%	0.149	25%	0.254	C	S	.	.	H	α-helix	trans	-56.5	-43.2	173.9	-27.9	35.6	0	0	0	113.7	F301 L344 V345 G350 I351 S352	F301-P348 HydrophobicContact CE2-CB 4.14Å; F301-P348 HydrophobicContact CZ-CB 4Å; F301-P348 WeakPolarHBondContact CZ-O 3.47Å; L344-P348 WeakPolarHBondContact O-CD 3.39Å; L344-P348 WeakPolarHBondContact O-CG 3.4Å; V345-P348 WeakPolarHBondContact O-CD 3.29Å; P348-G350 VanDerWaalsContact C-N 3.33Å; P348-G350 PolarHBondContact O-N 3.04Å; P348-I351 PolarHBondContact O-N 3.5Å; P348-S352 WeakPolarHBondContact O-CB 3.22Å; P348-S352 PolarHBondContact O-N 3.3Å; P348-S352 PolarHBondContact O-OG 3.35Å
349	V	88.6	Confident	84	Confident	24 Å²	24	47.3 Å²	47.3	15%	0.145	24%	0.241	C	C	.	.	H	α-helix	trans	-64.3	-39.1	176.9	175.7	0	0	0	0	111.2	I332 F333 L336 V345 V347 S352 A353	I332-V349 HydrophobicContact CG2-CG1 4.1Å; F333-V349 HydrophobicContact CB-CG1 4.07Å; L336-V349 HydrophobicContact CD1-CB 4.26Å; L336-V349 HydrophobicContact CD1-CG1 4.27Å; L336-V349 HydrophobicContact CD1-CG2 3.98Å; V345-V349 HydrophobicContact CG1-CG2 4.32Å; V345-V349 WeakPolarHBondContact O-CG2 3.21Å; V345-V349 PolarHBondContact O-N 3.23Å; V347-V349 PolarHBondContact O-N 2.94Å; V349-S352 WeakPolarHBondContact O-CB 3.38Å; V349-S352 PolarHBondContact O-N 3.47Å; V349-A353 PolarHBondContact O-N 3.28Å
350	G	91.7	Very high	84.4	Confident	12 Å²	12	44.9 Å²	44.9	12%	0.124	23%	0.231	C	C	.	.	H	α-helix	trans	-63.5	-42.4	174.3	0	0	0	0	0	113.1	F333 V346 V347 P348 S352 A353 L354	F333-G350 VanDerWaalsContact CD2-CA 3.5Å; V346-G350 PolarHBondContact O-N 3.03Å; V347-G350 PolarHBondContact O-N 3.47Å; P348-G350 VanDerWaalsContact C-N 3.33Å; P348-G350 PolarHBondContact O-N 3.04Å; G350-S352 VanDerWaalsContact C-N 3.33Å; G350-A353 PolarHBondContact O-N 3.34Å; G350-L354 WeakPolarHBondContact O-CG 3.46Å; G350-L354 PolarHBondContact O-N 2.91Å; G350-L354 VanDerWaalsContact O-N 3.14Å
351	I	90.4	Very high	84.9	Confident	72 Å²	72	40.2 Å²	40.2	37%	0.369	22%	0.222	S	C	.	.	H	α-helix	trans	-63	-41.9	173.9	-67.1	167.2	0	0	0	110.3	F301 V347 P348 A353 L354 I355	F301-I351 HydrophobicContact CD2-CG2 4.01Å; F301-I351 HydrophobicContact CE2-CB 4.37Å; F301-I351 HydrophobicContact CE2-CG2 4.12Å; F301-I351 HydrophobicContact CG-CG2 4.26Å; F301-I351 HydrophobicContact CZ-CG2 4.48Å; V347-I351 HydrophobicContact CG1-CD1 3.92Å; V347-I351 WeakPolarHBondContact O-CG1 3.49Å; V347-I351 PolarHBondContact O-N 2.89Å; P348-I351 PolarHBondContact O-N 3.5Å; I351-A353 PolarHBondContact O-N 3.36Å; I351-L354 PolarHBondContact O-N 3.01Å; I351-I355 HydrophobicContact CG2-CD1 3.77Å; I351-I355 HydrophobicContact CG2-CG1 4.38Å; I351-I355 WeakPolarHBondContact O-CG1 3.44Å; I351-I355 PolarHBondContact O-N 2.7Å
352	S	89.3	Confident	85.3	Confident	29 Å²	29	42.4 Å²	42.4	20%	0.203	23%	0.23	C	C	.	.	H	α-helix	trans	-58.2	-47.2	176.1	-53.8	0	0	0	0	111.5	F301 P348 V349 G350 L354 I355 E356	F301-S352 WeakPolarHBondContact CE1-OG 3.45Å; F301-S352 WeakPolarHBondContact CZ-OG 3.33Å; P348-S352 WeakPolarHBondContact O-CB 3.22Å; P348-S352 PolarHBondContact O-N 3.3Å; P348-S352 PolarHBondContact O-OG 3.35Å; V349-S352 WeakPolarHBondContact O-CB 3.38Å; V349-S352 PolarHBondContact O-N 3.47Å; G350-S352 VanDerWaalsContact C-N 3.33Å; S352-L354 VanDerWaalsContact C-N 3.31Å; S352-L354 PolarHBondContact O-N 3.34Å; S352-I355 PolarHBondContact O-N 3.04Å; S352-I355 VanDerWaalsContact O-N 3.15Å; S352-E356 WeakPolarHBondContact O-CG 2.97Å; S352-E356 PolarHBondContact O-N 3.41Å
353	A	91.8	Very high	85.6	Confident	11 Å²	11	42.2 Å²	42.2	9%	0.091	23%	0.228	C	C	.	.	H	α-helix	trans	-61	-38.3	177.4	0	0	0	0	0	112.4	E329 I330 V349 G350 I351 E356 L357	E329-A353 HydrophobicContact CB-CB 4.19Å; I330-A353 HydrophobicContact CG1-CB 4.47Å; V349-A353 PolarHBondContact O-N 3.28Å; G350-A353 PolarHBondContact O-N 3.34Å; I351-A353 PolarHBondContact O-N 3.36Å; A353-E356 PolarHBondContact O-N 3.32Å; A353-L357 WeakPolarHBondContact O-CB 3.34Å; A353-L357 PolarHBondContact O-N 2.74Å
354	L	92.9	Very high	85.5	Confident	119 Å²	119	41.8 Å²	41.8	62%	0.623	22%	0.223	S	C	*	.	H	α-helix	trans	-67.5	-38.9	174.8	-69.5	174.1	0	0	0	112.5	G350 I351 S352 L357 W358	G350-L354 WeakPolarHBondContact O-CG 3.46Å; G350-L354 PolarHBondContact O-N 2.91Å; G350-L354 VanDerWaalsContact O-N 3.14Å; I351-L354 PolarHBondContact O-N 3.01Å; S352-L354 VanDerWaalsContact C-N 3.31Å; S352-L354 PolarHBondContact O-N 3.34Å; L354-L357 PolarHBondContact O-N 2.99Å; L354-W358 PolarHBondContact O-N 3.3Å
355	I	90.2	Very high	85.5	Confident	20 Å²	20	42.8 Å²	42.8	10%	0.103	23%	0.225	C	C	.	.	H	α-helix	trans	-65.4	-43.2	175.9	-70.6	168.1	0	0	0	110.4	F301 D304 V305 I351 S352 W358 K359	F301-I355 HydrophobicContact CB-CD1 3.85Å; F301-I355 HydrophobicContact CD1-CD1 3.67Å; F301-I355 HydrophobicContact CG-CD1 3.89Å; D304-I355 WeakPolarHBondContact OD2-CG2 3.47Å; V305-I355 HydrophobicContact CG2-CD1 4.12Å; V305-I355 HydrophobicContact CG2-CG1 4.19Å; V305-I355 HydrophobicContact CG2-CG2 4.31Å; I351-I355 HydrophobicContact CG2-CD1 3.77Å; I351-I355 HydrophobicContact CG2-CG1 4.38Å; I351-I355 WeakPolarHBondContact O-CG1 3.44Å; I351-I355 PolarHBondContact O-N 2.7Å; S352-I355 PolarHBondContact O-N 3.04Å; S352-I355 VanDerWaalsContact O-N 3.15Å; I355-W358 WeakPolarHBondContact O-CB 3.33Å; I355-W358 PolarHBondContact O-N 3.49Å; I355-K359 WeakPolarHBondContact O-CG 3.36Å; I355-K359 PolarHBondContact O-N 2.89Å
356	E	89.4	Confident	84.7	Confident	7 Å²	7	44.5 Å²	44.5	3%	0.033	24%	0.235	C	C	.	.	H	α-helix	trans	-66	-37.8	176.7	-71	-74.5	165.4	0	0	111.9	R325 L326 E329 S352 A353 W358 K359 L360	R325-E356 IonicContact CZ-OE1 2.87Å; R325-E356 IonicContact NE-OE1 2.77Å; R325-E356 IonicContact NH2-OE1 2.82Å; R325-E356 PolarHBondContact NH2-OE1 2.8Å; L326-E356 HydrophobicContact CB-CB 4.38Å; L326-E356 HydrophobicContact CD1-CB 3.96Å; E329-E356 WeakPolarHBondContact OE2-CG 3.16Å; S352-E356 WeakPolarHBondContact O-CG 2.97Å; S352-E356 PolarHBondContact O-N 3.41Å; A353-E356 PolarHBondContact O-N 3.32Å; E356-W358 VanDerWaalsContact C-N 3.3Å; E356-W358 PolarHBondContact O-N 2.85Å; E356-K359 WeakPolarHBondContact O-CB 3.4Å; E356-K359 PolarHBondContact O-N 3.03Å; E356-K359 IonicContact OE1-NZ 2.74Å; E356-K359 PolarHBondContact OE1-NZ 2.99Å; E356-K359 WeakPolarHBondContact OE2-CD 3.38Å; E356-K359 IonicContact OE2-NZ 3.75Å; E356-L360 PolarHBondContact O-N 3.42Å
357	L	90.2	Very high	83.2	Confident	83 Å²	83	46.8 Å²	46.8	44%	0.435	25%	0.251	S	S	.	.	H	α-helix	trans	-61.2	-42.4	171.9	-176.7	63.5	0	0	0	110.8	L326 A353 L354 L360 T361	L326-L357 HydrophobicContact CD1-CB 4Å; L326-L357 HydrophobicContact CD2-CD1 3.96Å; A353-L357 WeakPolarHBondContact O-CB 3.34Å; A353-L357 PolarHBondContact O-N 2.74Å; L354-L357 PolarHBondContact O-N 2.99Å; L357-L360 WeakPolarHBondContact O-CB 3.48Å; L357-L360 PolarHBondContact O-N 3.49Å; L357-T361 WeakPolarHBondContact O-CG2 3.35Å; L357-T361 PolarHBondContact O-N 3.22Å; L357-T361 VanDerWaalsContact O-N 3.17Å
358	W	89.8	Confident	81.7	Confident	93 Å²	93	49.1 Å²	49.1	35%	0.352	26%	0.255	S	S	.	.	H	α-helix	trans	-62.9	-43.4	174.5	172	72.7	0	0	0	112.1	W308 R309 L354 I355 E356 L360 T361 K362	W308-W358 HydrophobicContact CB-CH2 3.91Å; W308-W358 HydrophobicContact CB-CZ3 3.6Å; R309-W358 HydrophobicContact CB-CH2 4.44Å; L354-W358 PolarHBondContact O-N 3.3Å; I355-W358 WeakPolarHBondContact O-CB 3.33Å; I355-W358 PolarHBondContact O-N 3.49Å; E356-W358 VanDerWaalsContact C-N 3.3Å; E356-W358 PolarHBondContact O-N 2.85Å; W358-L360 VanDerWaalsContact C-N 3.28Å; W358-L360 PolarHBondContact O-N 3.31Å; W358-T361 PolarHBondContact O-N 3.38Å; W358-T361 VanDerWaalsContact O-N 3.15Å; W358-T361 PolarHBondContact O-OG1 3.33Å; W358-K362 PolarHBondContact O-N 3.32Å; W358-K362 VanDerWaalsContact O-N 3.12Å
359	K	87.7	Confident	80	Confident	2 Å²	2	54 Å²	54	1%	0.009	27%	0.274	C	S	.	.	H	α-helix	trans	-57	-43.5	175	-68.6	173	-167.9	172.4	0	111.4	D304 W308 I355 E356 T361 K362 I363	D304-K359 VanDerWaalsContact CG-NZ 3.28Å; D304-K359 WeakPolarHBondContact OD1-CE 3.28Å; D304-K359 IonicContact OD1-NZ 2.79Å; D304-K359 PolarHBondContact OD1-NZ 3.45Å; D304-K359 VanDerWaalsContact OD1-NZ 3.14Å; D304-K359 WeakPolarHBondContact OD2-CE 3.35Å; D304-K359 IonicContact OD2-NZ 3.28Å; D304-K359 PolarHBondContact OD2-NZ 3.11Å; W308-K359 HydrophobicContact CD2-CB 4.44Å; W308-K359 HydrophobicContact CD2-CD 3.91Å; W308-K359 HydrophobicContact CD2-CG 3.72Å; W308-K359 HydrophobicContact CE3-CB 4.4Å; W308-K359 HydrophobicContact CE3-CG 4.13Å; W308-K359 HydrophobicContact CG-CD 4.13Å; W308-K359 HydrophobicContact CG-CG 3.9Å; W308-K359 HydrophobicContact CZ2-CD 3.96Å; W308-K359 HydrophobicContact CZ2-CG 4.45Å; W308-K359 VanDerWaalsContact NE1-CE 3.26Å; I355-K359 WeakPolarHBondContact O-CG 3.36Å; I355-K359 PolarHBondContact O-N 2.89Å; E356-K359 WeakPolarHBondContact O-CB 3.4Å; E356-K359 PolarHBondContact O-N 3.03Å; E356-K359 IonicContact OE1-NZ 2.74Å; E356-K359 PolarHBondContact OE1-NZ 2.99Å; E356-K359 WeakPolarHBondContact OE2-CD 3.38Å; E356-K359 IonicContact OE2-NZ 3.75Å; K359-T361 VanDerWaalsContact C-N 3.34Å; K359-T361 PolarHBondContact O-N 2.89Å; K359-K362 WeakPolarHBondContact O-CB 3.36Å; K359-K362 PolarHBondContact O-N 3.21Å; K359-K362 VanDerWaalsContact O-N 3.09Å; K359-I363 VanDerWaalsContact O-CD1 3.3Å; K359-I363 WeakPolarHBondContact O-CD1 3.5Å; K359-I363 WeakPolarHBondContact O-CG1 3.38Å; K359-I363 PolarHBondContact O-N 2.88Å
360	L	85.6	Confident	77.5	Confident	30 Å²	30	63.8 Å²	63.8	16%	0.157	31%	0.309	C	S	.	.	H	α-helix	trans	-57	-46.6	176.8	-163.5	81.7	0	0	0	111.7	I322 I323 L326 E356 L357 W358 K362 I363 F364	I322-L360 HydrophobicContact CG2-CD1 4.48Å; I323-L360 HydrophobicContact CB-CD1 4.47Å; I323-L360 HydrophobicContact CG1-CD1 3.52Å; L326-L360 HydrophobicContact CD2-CB 4.32Å; L326-L360 HydrophobicContact CD2-CD2 3.76Å; L326-L360 HydrophobicContact CD2-CG 4.43Å; E356-L360 PolarHBondContact O-N 3.42Å; L357-L360 WeakPolarHBondContact O-CB 3.48Å; L357-L360 PolarHBondContact O-N 3.49Å; W358-L360 VanDerWaalsContact C-N 3.28Å; W358-L360 PolarHBondContact O-N 3.31Å; L360-K362 PolarHBondContact O-N 3.33Å; L360-I363 PolarHBondContact O-N 2.9Å; L360-F364 HydrophobicContact CD1-CD2 4.26Å; L360-F364 HydrophobicContact CD1-CE2 3.74Å; L360-F364 HydrophobicContact CD2-CD2 4.39Å; L360-F364 HydrophobicContact CD2-CE2 4.08Å; L360-F364 HydrophobicContact CG-CD2 3.83Å; L360-F364 HydrophobicContact CG-CE2 3.7Å; L360-F364 WeakPolarHBondContact O-CD2 3.23Å; L360-F364 PolarHBondContact O-N 3.42Å; L360-F364 VanDerWaalsContact O-N 3.12Å
361	T	83.2	Confident	74.9	Confident	70 Å²	70	72.7 Å²	72.7	43%	0.429	34%	0.344	S	S	.	.	H	α-helix	trans	-62	-33.9	177.6	65.5	0	0	0	0	112.6	L357 W358 K359 V366	L357-T361 WeakPolarHBondContact O-CG2 3.35Å; L357-T361 PolarHBondContact O-N 3.22Å; L357-T361 VanDerWaalsContact O-N 3.17Å; W358-T361 PolarHBondContact O-N 3.38Å; W358-T361 VanDerWaalsContact O-N 3.15Å; W358-T361 PolarHBondContact O-OG1 3.33Å; K359-T361 VanDerWaalsContact C-N 3.34Å; K359-T361 PolarHBondContact O-N 2.89Å; T361-V366 PolarHBondContact O-N 2.87Å
362	K	80.7	Confident	73.4	Confident	54 Å²	54	72.1 Å²	72.1	24%	0.235	36%	0.356	C	S	.	.	H	α-helix	trans	-70.8	-40	177.4	-169.9	173.7	178.2	179.9	0	112.3	W308 R309 K311 M314 W358 K359 L360 K365	W308-K362 PolarHBondContact O-NZ 2.86Å; R309-K362 PolarHBondContact O-NZ 3.45Å; R309-K362 VanDerWaalsContact O-NZ 3.09Å; K311-K362 WeakPolarHBondContact O-CE 3.04Å; K311-K362 PolarHBondContact O-NZ 2.57Å; M314-K362 HydrophobicContact CE-CD 4.35Å; M314-K362 HydrophobicContact CE-CG 4.09Å; W358-K362 PolarHBondContact O-N 3.32Å; W358-K362 VanDerWaalsContact O-N 3.12Å; K359-K362 WeakPolarHBondContact O-CB 3.36Å; K359-K362 PolarHBondContact O-N 3.21Å; K359-K362 VanDerWaalsContact O-N 3.09Å; L360-K362 PolarHBondContact O-N 3.33Å; K362-K365 PolarHBondContact O-N 3.4Å
363	I	77	Confident	71.6	Confident	8 Å²	8	79.2 Å²	79.2	4%	0.041	39%	0.39	C	S	.	.	H	α-helix	trans	-70.9	-40.9	-177.8	-67.4	153.4	0	0	0	111.9	W308 M314 R319 I322 K359 L360 K365	W308-I363 HydrophobicContact CH2-CD1 3.96Å; W308-I363 HydrophobicContact CH2-CG1 4.4Å; W308-I363 HydrophobicContact CZ3-CD1 3.9Å; W308-I363 HydrophobicContact CZ3-CG1 3.92Å; M314-I363 HydrophobicContact SD-CG1 4.36Å; R319-I363 HydrophobicContact CB-CG2 4.45Å; R319-I363 HydrophobicContact CG-CG2 3.79Å; I322-I363 HydrophobicContact CB-CD1 4.11Å; I322-I363 HydrophobicContact CD1-CD1 3.3Å; I322-I363 HydrophobicContact CD1-CG1 4.43Å; I322-I363 HydrophobicContact CG1-CD1 4.25Å; I322-I363 HydrophobicContact CG2-CD1 3.68Å; K359-I363 VanDerWaalsContact O-CD1 3.3Å; K359-I363 WeakPolarHBondContact O-CD1 3.5Å; K359-I363 WeakPolarHBondContact O-CG1 3.38Å; K359-I363 PolarHBondContact O-N 2.88Å; L360-I363 PolarHBondContact O-N 2.9Å; I363-K365 PolarHBondContact O-N 3.15Å; I363-K365 VanDerWaalsContact O-N 3.09Å
364	F	73.3	Confident	69.2	Low	55 Å²	55	85.6 Å²	85.6	24%	0.241	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-3.4	174	-77.9	-67	0	0	0	113.3	I323 L360 V366 L379 G380	I323-F364 HydrophobicContact CD1-CZ 4.1Å; L360-F364 HydrophobicContact CD1-CD2 4.26Å; L360-F364 HydrophobicContact CD1-CE2 3.74Å; L360-F364 HydrophobicContact CD2-CD2 4.39Å; L360-F364 HydrophobicContact CD2-CE2 4.08Å; L360-F364 HydrophobicContact CG-CD2 3.83Å; L360-F364 HydrophobicContact CG-CE2 3.7Å; L360-F364 WeakPolarHBondContact O-CD2 3.23Å; L360-F364 PolarHBondContact O-N 3.42Å; L360-F364 VanDerWaalsContact O-N 3.12Å; F364-V366 HydrophobicContact CB-CG2 3.68Å; F364-V366 PolarHBondContact O-N 3.29Å; F364-V366 VanDerWaalsContact O-N 3.16Å; F364-L379 HydrophobicContact CB-CG 4.48Å; F364-L379 HydrophobicContact CD1-CD2 3.47Å; F364-L379 VanDerWaalsContact CD1-CD2 3.47Å; F364-L379 HydrophobicContact CD1-CG 4.09Å; F364-L379 HydrophobicContact CE1-CD2 3.93Å; F364-L379 HydrophobicContact CG-CD2 4.44Å; F364-G380 PolarHBondContact O-N 2.75Å
365	K	68.8	Low	67	Low	86 Å²	86	83.8 Å²	83.8	37%	0.374	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	43.2	-177.6	-63.7	175.4	-175.3	164	0	110.6	K362 I363 S367 E386	K362-K365 PolarHBondContact O-N 3.4Å; I363-K365 PolarHBondContact O-N 3.15Å; I363-K365 VanDerWaalsContact O-N 3.09Å; K365-S367 PolarHBondContact O-N 2.95Å; K365-E386 IonicContact NZ-OE1 3.59Å
366	V	62	Low	64.8	Low	47 Å²	47	92.5 Å²	92.5	29%	0.285	45%	0.449	S	S	.	.			trans	-62.9	101.9	-174.4	-177.4	0	0	0	0	108.6	T361 F364 F368	T361-V366 PolarHBondContact O-N 2.87Å; F364-V366 HydrophobicContact CB-CG2 3.68Å; F364-V366 PolarHBondContact O-N 3.29Å; F364-V366 VanDerWaalsContact O-N 3.16Å; V366-F368 HydrophobicContact CG1-CD2 4Å; V366-F368 HydrophobicContact CG1-CE2 3.69Å; V366-F368 HydrophobicContact CG1-CZ 4.36Å
367	S	54.5	Low	62.8	Low	56 Å²	56	98.2 Å²	98.2	39%	0.392	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	110.7	176.3	-170	0	0	0	0	108.6	K365 K369	K365-S367 PolarHBondContact O-N 2.95Å; S367-K369 PolarHBondContact O-N 3.45Å; S367-K369 VanDerWaalsContact O-N 3.12Å
368	F	53	Low	60.9	Low	130 Å²	130	99 Å²	99	57%	0.57	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	89.2	172.2	-82	-86.9	0	0	0	109.4	V366 P375 M377	V366-F368 HydrophobicContact CG1-CD2 4Å; V366-F368 HydrophobicContact CG1-CE2 3.69Å; V366-F368 HydrophobicContact CG1-CZ 4.36Å; F368-P375 HydrophobicContact CD1-CB 3.87Å; F368-P375 HydrophobicContact CE1-CB 4.15Å; F368-P375 HydrophobicContact CE1-CG 4.46Å; F368-M377 HydrophobicContact CE1-CE 4.16Å; F368-M377 HydrophobicContact CZ-CE 3.77Å
369	K	49.9	Very low	59.3	Low	125 Å²	125	99.7 Å²	99.7	54%	0.543	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	118.9	166.3	-79.5	-177.8	-176	162.1	0	109.8	S367 K371 E378	S367-K369 PolarHBondContact O-N 3.45Å; S367-K369 VanDerWaalsContact O-N 3.12Å; K369-K371 PolarHBondContact O-N 3.17Å; K369-E378 IonicContact NZ-OE2 3.6Å
370	R	36.9	Very low	58	Low	231 Å²	231	100.9 Å²	100.9	87%	0.872	50%	0.501	S	S	*	.			trans	-82.6	100.5	176.5	-153.5	175.9	-170.4	164.4	1.9	109.3
371	K	36.6	Very low	56.7	Low	199 Å²	199	107.2 Å²	107.2	87%	0.865	54%	0.535	S	S	*	.			trans	-123.1	96.6	161.9	-95.9	-171.9	173.5	-177.3	0	107.9	K369	K369-K371 PolarHBondContact O-N 3.17Å
372	G	59.1	Low	55.6	Low	60 Å²	60	106 Å²	106	62%	0.619	53%	0.532	S	S	*	.	S	Bend	trans	93.7	-167.1	178.4	0	0	0	0	0	115.7
373	L	51.8	Low	54.9	Low	178 Å²	178	106.2 Å²	106.2	93%	0.932	54%	0.538	S	S	*	.	S	Bend	trans	-75.9	-21.2	-174.4	-143.3	89.8	0	0	0	113.8
374	L	40.4	Very low	54.2	Low	145 Å²	145	109.6 Å²	109.6	76%	0.759	56%	0.562	S	S	*	*	S	Bend	trans	-109	124.4	173.9	-77	108.7	0	0	0	110.6	R376	L374-R376 PolarHBondContact O-N 3.42Å
375	P	47.6	Very low	53.7	Low	80 Å²	80	109.8 Å²	109.8	52%	0.519	57%	0.566	S	S	.	*			trans	-69.3	122.8	173.1	27.1	-30.5	0	0	0	110.1	F368	F368-P375 HydrophobicContact CD1-CB 3.87Å; F368-P375 HydrophobicContact CE1-CB 4.15Å; F368-P375 HydrophobicContact CE1-CG 4.46Å
376	R	42.9	Very low	53.5	Low	204 Å²	204	106 Å²	106	77%	0.77	55%	0.55	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	119.9	173.7	-142.8	177.7	-170.9	172.6	2.4	108.6	L374 E378	L374-R376 PolarHBondContact O-N 3.42Å; R376-E378 PolarHBondContact O-N 2.87Å
377	M	48.4	Very low	53.8	Low	126 Å²	126	106.1 Å²	106.1	62%	0.621	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-78.5	112.5	174.9	-68.5	176.5	158.2	0	0	109.1	F368	F368-M377 HydrophobicContact CE1-CE 4.16Å; F368-M377 HydrophobicContact CZ-CE 3.77Å
378	E	49.6	Very low	54.4	Low	99 Å²	99	109.5 Å²	109.5	46%	0.463	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.5	113.5	168.8	-70.5	-180	172.2	0	0	108.3	K369 R376	K369-E378 IonicContact NZ-OE2 3.6Å; R376-E378 PolarHBondContact O-N 2.87Å
379	L	57.3	Low	55.1	Low	108 Å²	108	104.5 Å²	104.5	57%	0.565	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-79.1	128	168.4	-101.2	80.5	0	0	0	108.9	F364 L381	F364-L379 HydrophobicContact CB-CG 4.48Å; F364-L379 HydrophobicContact CD1-CD2 3.47Å; F364-L379 VanDerWaalsContact CD1-CD2 3.47Å; F364-L379 HydrophobicContact CD1-CG 4.09Å; F364-L379 HydrophobicContact CE1-CD2 3.93Å; F364-L379 HydrophobicContact CG-CD2 4.44Å; L379-L381 PolarHBondContact O-N 3.29Å
380	G	59.9	Low	56	Low	27 Å²	27	99.9 Å²	99.9	28%	0.278	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-65.8	132.3	174.9	0	0	0	0	0	112	F364	F364-G380 PolarHBondContact O-N 2.75Å
381	L	57.6	Low	57.7	Low	164 Å²	164	94.2 Å²	94.2	86%	0.859	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-59.5	139.7	173.9	-70.8	163.7	0	0	0	110.6	L379	L379-L381 PolarHBondContact O-N 3.29Å
382	A	61.4	Low	59.1	Low	45 Å²	45	90.4 Å²	90.4	37%	0.372	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-69.7	135.5	176.8	0	0	0	0	0	111	E386	A382-E386 WeakPolarHBondContact CA-OE2 3.43Å; A382-E386 HydrophobicContact CB-CB 4.42Å
383	T	65.7	Low	59.6	Low	58 Å²	58	90.6 Å²	90.6	36%	0.356	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-66.5	149.6	170.8	-45.9	0	0	0	0	109.1	D385 E386 S387	T383-D385 PolarHBondContact O-N 2.99Å; T383-D385 VanDerWaalsContact O-N 3.08Å; T383-E386 PolarHBondContact N-OE2 2.91Å; T383-E386 WeakPolarHBondContact O-CA 3.41Å; T383-E386 WeakPolarHBondContact O-CB 3.46Å; T383-E386 PolarHBondContact O-N 3Å; T383-E386 PolarHBondContact OG1-OE1 3.38Å; T383-S387 PolarHBondContact O-N 2.97Å
384	S	61.2	Low	60.6	Low	79 Å²	79	83.5 Å²	83.5	55%	0.552	45%	0.446	S	S	*	.	H	α-helix	trans	-51.1	-36.7	179.1	53.8	0	0	0	0	113.3	S387 K388	S384-S387 PolarHBondContact O-N 3.25Å; S384-K388 PolarHBondContact O-N 3.49Å; S384-K388 VanDerWaalsContact O-N 3.11Å
385	D	62.3	Low	62.2	Low	59 Å²	59	82.3 Å²	82.3	32%	0.316	44%	0.437	S	S	.	.	H	α-helix	trans	-76.7	-29.4	-179.2	-58.7	-25.2	0	0	0	112.5	Q315 T383 S387 S389	Q315-D385 HydrophobicContact CG-CB 3.82Å; Q315-D385 PolarHBondContact NE2-OD2 3.4Å; Q315-D385 VanDerWaalsContact NE2-OD2 3.08Å; T383-D385 PolarHBondContact O-N 2.99Å; T383-D385 VanDerWaalsContact O-N 3.08Å; D385-S387 VanDerWaalsContact C-N 3.35Å; D385-S389 PolarHBondContact O-N 3.39Å; D385-S389 PolarHBondContact O-OG 3.3Å
386	E	65.7	Low	63.3	Low	7 Å²	7	80.6 Å²	80.6	3%	0.033	43%	0.434	C	S	.	.	H	α-helix	trans	-66.2	-41.1	169.1	-64.1	173.2	-165.3	0	0	109.9	M314 R319 K365 A382 T383 K388 S389 D390	M314-E386 HydrophobicContact CB-CG 4.36Å; R319-E386 IonicContact CZ-OE2 3.99Å; R319-E386 IonicContact NE-OE2 2.85Å; R319-E386 IonicContact NH2-OE2 2.82Å; R319-E386 PolarHBondContact NH2-OE2 2.94Å; K365-E386 IonicContact NZ-OE1 3.59Å; A382-E386 WeakPolarHBondContact CA-OE2 3.43Å; A382-E386 HydrophobicContact CB-CB 4.42Å; T383-E386 PolarHBondContact N-OE2 2.91Å; T383-E386 WeakPolarHBondContact O-CA 3.41Å; T383-E386 WeakPolarHBondContact O-CB 3.46Å; T383-E386 PolarHBondContact O-N 3Å; T383-E386 PolarHBondContact OG1-OE1 3.38Å; E386-K388 PolarHBondContact O-N 3.14Å; E386-S389 PolarHBondContact O-N 2.99Å; E386-D390 PolarHBondContact O-N 2.83Å
387	S	67.5	Low	64.7	Low	48 Å²	48	72.1 Å²	72.1	34%	0.336	40%	0.403	S	S	.	.	H	α-helix	trans	-65.1	-38.3	178.8	-173.9	0	0	0	0	112.9	T383 S384 D385 D390 Q391	T383-S387 PolarHBondContact O-N 2.97Å; S384-S387 PolarHBondContact O-N 3.25Å; D385-S387 VanDerWaalsContact C-N 3.35Å; S387-D390 PolarHBondContact O-N 3.43Å; S387-Q391 WeakPolarHBondContact O-CG 3.38Å; S387-Q391 PolarHBondContact O-N 2.91Å
388	K	68.5	Low	66	Low	127 Å²	127	72.7 Å²	72.7	55%	0.552	40%	0.404	S	S	*	.	H	α-helix	trans	-63.2	-42.6	173.5	-72.2	176.1	-177.4	170.5	0	111.9	S384 E386 D390 Q391 L392	S384-K388 PolarHBondContact O-N 3.49Å; S384-K388 VanDerWaalsContact O-N 3.11Å; E386-K388 PolarHBondContact O-N 3.14Å; K388-D390 VanDerWaalsContact C-N 3.33Å; K388-Q391 PolarHBondContact O-N 2.9Å; K388-L392 WeakPolarHBondContact O-CG 3.41Å; K388-L392 PolarHBondContact O-N 2.89Å; K388-L392 VanDerWaalsContact O-N 3.1Å
389	S	66.2	Low	67.3	Low	26 Å²	26	76.4 Å²	76.4	18%	0.182	42%	0.415	C	S	.	.	H	α-helix	trans	-63	-41.7	176.6	-53.6	0	0	0	0	111.1	G316 D385 E386 L392 D393	G316-S389 PolarHBondContact N-OG 3.45Å; D385-S389 PolarHBondContact O-N 3.39Å; D385-S389 PolarHBondContact O-OG 3.3Å; E386-S389 PolarHBondContact O-N 2.99Å; S389-L392 PolarHBondContact O-N 3.12Å; S389-D393 PolarHBondContact O-N 3.26Å; S389-D393 VanDerWaalsContact O-N 3.12Å
390	D	68.8	Low	68.1	Low	27 Å²	27	72.5 Å²	72.5	14%	0.144	39%	0.394	C	S	.	.	H	α-helix	trans	-67.8	-32.7	176.9	-80	-25.4	0	0	0	113.4	S318 R319 E386 S387 K388 S394	S318-D390 VanDerWaalsContact CA-OD1 3.25Å; S318-D390 WeakPolarHBondContact CA-OD1 3.45Å; S318-D390 WeakPolarHBondContact CB-OD1 3.39Å; S318-D390 PolarHBondContact OG-OD1 2.98Å; R319-D390 WeakPolarHBondContact CD-OD2 3.45Å; R319-D390 PolarHBondContact N-OD1 3.1Å; R319-D390 IonicContact NE-OD2 4Å; E386-D390 PolarHBondContact O-N 2.83Å; S387-D390 PolarHBondContact O-N 3.43Å; K388-D390 VanDerWaalsContact C-N 3.33Å; D390-S394 VanDerWaalsContact O-CB 3.3Å; D390-S394 WeakPolarHBondContact O-CB 3.49Å; D390-S394 PolarHBondContact O-N 3.02Å
391	Q	74	Confident	69	Low	112 Å²	112	74 Å²	74	52%	0.523	40%	0.396	S	S	.	.	H	α-helix	trans	-68.6	-46.4	175.3	-77.6	174.8	-1.9	0	0	111.3	S387 K388 D393 S394 E395	S387-Q391 WeakPolarHBondContact O-CG 3.38Å; S387-Q391 PolarHBondContact O-N 2.91Å; K388-Q391 PolarHBondContact O-N 2.9Å; Q391-D393 VanDerWaalsContact C-N 3.35Å; Q391-D393 PolarHBondContact O-N 3.36Å; Q391-S394 WeakPolarHBondContact O-CB 3.46Å; Q391-S394 PolarHBondContact O-N 2.92Å; Q391-S394 VanDerWaalsContact O-N 3.07Å; Q391-S394 PolarHBondContact O-OG 3.25Å; Q391-E395 PolarHBondContact O-N 3.01Å; Q391-E395 VanDerWaalsContact O-N 3.17Å
392	L	65.7	Low	70.2	Confident	120 Å²	120	75.5 Å²	75.5	63%	0.628	39%	0.392	S	S	*	.	H	α-helix	trans	-59.4	-45.3	176.7	-69.9	171.6	0	0	0	111.8	K388 S389 S394 E395 G396	K388-L392 WeakPolarHBondContact O-CG 3.41Å; K388-L392 PolarHBondContact O-N 2.89Å; K388-L392 VanDerWaalsContact O-N 3.1Å; S389-L392 PolarHBondContact O-N 3.12Å; L392-S394 VanDerWaalsContact C-N 3.28Å; L392-S394 PolarHBondContact O-N 3.19Å; L392-E395 PolarHBondContact O-N 3.31Å; L392-G396 PolarHBondContact O-N 3.47Å
393	D	68.6	Low	71.1	Confident	63 Å²	63	77.6 Å²	77.6	34%	0.337	40%	0.4	S	S	.	.	H	α-helix	trans	-68.3	-28.7	176.7	-83.7	18.9	0	0	0	112	S318 T321 S389 Q391 M397	S318-D393 VanDerWaalsContact CB-CG 3.46Å; S318-D393 WeakPolarHBondContact CB-OD2 3.24Å; T321-D393 PolarHBondContact OG1-OD2 3.45Å; S389-D393 PolarHBondContact O-N 3.26Å; S389-D393 VanDerWaalsContact O-N 3.12Å; Q391-D393 VanDerWaalsContact C-N 3.35Å; Q391-D393 PolarHBondContact O-N 3.36Å; D393-M397 VanDerWaalsContact O-CB 3.25Å; D393-M397 WeakPolarHBondContact O-CB 3.1Å; D393-M397 PolarHBondContact O-N 3.47Å
394	S	73.7	Confident	71.8	Confident	29 Å²	29	75.4 Å²	75.4	20%	0.203	39%	0.386	C	S	.	.	H	α-helix	trans	-66	-38.9	176.5	78.2	0	0	0	0	113.3	D390 Q391 L392 H398	D390-S394 VanDerWaalsContact O-CB 3.3Å; D390-S394 WeakPolarHBondContact O-CB 3.49Å; D390-S394 PolarHBondContact O-N 3.02Å; Q391-S394 WeakPolarHBondContact O-CB 3.46Å; Q391-S394 PolarHBondContact O-N 2.92Å; Q391-S394 VanDerWaalsContact O-N 3.07Å; Q391-S394 PolarHBondContact O-OG 3.25Å; L392-S394 VanDerWaalsContact C-N 3.28Å; L392-S394 PolarHBondContact O-N 3.19Å; S394-H398 WeakPolarHBondContact O-CB 3.07Å; S394-H398 PolarHBondContact O-N 3.46Å
395	E	73.9	Confident	72.8	Confident	120 Å²	120	75 Å²	75	56%	0.561	38%	0.38	S	S	*	.	H	α-helix	trans	-67.6	-46.9	177.6	-70	178.4	-168.2	0	0	110.3	Q391 L392 M397 H398 Y399	Q391-E395 PolarHBondContact O-N 3.01Å; Q391-E395 VanDerWaalsContact O-N 3.17Å; L392-E395 PolarHBondContact O-N 3.31Å; E395-M397 PolarHBondContact O-N 3.35Å; E395-H398 PolarHBondContact O-N 3.26Å; E395-Y399 WeakPolarHBondContact O-CD2 3.49Å; E395-Y399 PolarHBondContact O-N 3.24Å
396	G	70.4	Confident	74	Confident	45 Å²	45	75.3 Å²	75.3	46%	0.464	39%	0.385	S	S	.	.	H	α-helix	trans	-59.3	-44.2	176.2	0	0	0	0	0	112.8	L392 H398 M400	L392-G396 PolarHBondContact O-N 3.47Å; G396-H398 VanDerWaalsContact C-N 3.32Å; G396-H398 PolarHBondContact O-N 3.16Å; G396-M400 WeakPolarHBondContact O-CB 3.31Å; G396-M400 PolarHBondContact O-N 3.47Å; G396-M400 VanDerWaalsContact O-N 3.11Å
397	M	71.8	Confident	75	Confident	26 Å²	26	79.5 Å²	79.5	13%	0.128	41%	0.407	C	S	.	.	H	α-helix	trans	-63.4	-36.2	177.5	-172.9	70.6	62.8	0	0	112.3	D393 E395 M400 N401 F443	D393-M397 VanDerWaalsContact O-CB 3.25Å; D393-M397 WeakPolarHBondContact O-CB 3.1Å; D393-M397 PolarHBondContact O-N 3.47Å; E395-M397 PolarHBondContact O-N 3.35Å; M397-M400 HydrophobicContact CE-CE 4.46Å; M397-M400 PolarHBondContact O-N 3.46Å; M397-M400 HydrophobicContact SD-CE 3.45Å; M397-M400 WeakPolarHBondContact SD-CE 3.46Å; M397-N401 WeakPolarHBondContact O-CB 3.42Å; M397-N401 PolarHBondContact O-N 3.09Å; M397-N401 PolarHBondContact O-ND2 2.98Å; M397-F443 HydrophobicContact CE-CE1 3.71Å; M397-F443 HydrophobicContact CE-CZ 3.44Å; M397-F443 VanDerWaalsContact CE-CZ 3.44Å; M397-F443 HydrophobicContact SD-CE1 4.26Å; M397-F443 HydrophobicContact SD-CZ 3.66Å
398	H	76.9	Confident	75.9	Confident	137 Å²	137	79 Å²	79	63%	0.634	40%	0.402	S	S	*	.	H	α-helix	trans	-65.6	-49.9	-178.6	-171.3	71.2	0	0	0	112	S394 E395 G396 M400 N401 Y402	S394-H398 WeakPolarHBondContact O-CB 3.07Å; S394-H398 PolarHBondContact O-N 3.46Å; E395-H398 PolarHBondContact O-N 3.26Å; G396-H398 VanDerWaalsContact C-N 3.32Å; G396-H398 PolarHBondContact O-N 3.16Å; H398-M400 VanDerWaalsContact C-N 3.31Å; H398-M400 PolarHBondContact O-N 3.44Å; H398-N401 PolarHBondContact O-N 2.94Å; H398-Y402 PolarHBondContact O-N 2.88Å
399	Y	76.9	Confident	76.8	Confident	178 Å²	178	78.3 Å²	78.3	70%	0.698	40%	0.403	S	S	*	.	H	α-helix	trans	-62.9	-40.4	176.7	-72.2	-67.3	0	0	0	112.1	E395 Y402	E395-Y399 WeakPolarHBondContact O-CD2 3.49Å; E395-Y399 PolarHBondContact O-N 3.24Å; Y399-Y402 PolarHBondContact O-N 3.28Å
400	M	73.4	Confident	77.9	Confident	25 Å²	25	82.7 Å²	82.7	12%	0.123	42%	0.423	C	S	.	.	H	α-helix	trans	-65.2	-42.5	178.6	-172.3	-165.6	63.3	0	0	111.3	G396 M397 H398 Y402 V403 M404 F439 F443	G396-M400 WeakPolarHBondContact O-CB 3.31Å; G396-M400 PolarHBondContact O-N 3.47Å; G396-M400 VanDerWaalsContact O-N 3.11Å; M397-M400 HydrophobicContact CE-CE 4.46Å; M397-M400 PolarHBondContact O-N 3.46Å; M397-M400 HydrophobicContact SD-CE 3.45Å; M397-M400 WeakPolarHBondContact SD-CE 3.46Å; H398-M400 VanDerWaalsContact C-N 3.31Å; H398-M400 PolarHBondContact O-N 3.44Å; M400-Y402 VanDerWaalsContact C-N 3.27Å; M400-Y402 PolarHBondContact O-N 2.9Å; M400-V403 PolarHBondContact O-N 3.22Å; M400-V403 VanDerWaalsContact O-N 3.16Å; M400-M404 HydrophobicContact CG-CE 4Å; M400-M404 HydrophobicContact CG-CG 3.95Å; M400-M404 VanDerWaalsContact O-CG 3.26Å; M400-M404 WeakPolarHBondContact O-CG 3.35Å; M400-M404 PolarHBondContact O-N 3.44Å; M400-F439 HydrophobicContact CE-CD1 4.13Å; M400-F439 HydrophobicContact CE-CE1 4.24Å; M400-F443 HydrophobicContact CE-CD1 4.28Å; M400-F443 HydrophobicContact CE-CD2 4.22Å; M400-F443 HydrophobicContact CE-CE1 3.46Å; M400-F443 VanDerWaalsContact CE-CE1 3.46Å; M400-F443 HydrophobicContact CE-CE2 3.35Å; M400-F443 HydrophobicContact CE-CZ 2.94Å; M400-F443 HydrophobicContact SD-CD1 3.82Å; M400-F443 HydrophobicContact SD-CD2 3.98Å; M400-F443 HydrophobicContact SD-CE1 3.58Å; M400-F443 VanDerWaalsContact SD-CE1 3.58Å; M400-F443 HydrophobicContact SD-CE2 3.72Å; M400-F443 HydrophobicContact SD-CG 4.04Å; M400-F443 HydrophobicContact SD-CZ 3.56Å; M400-F443 VanDerWaalsContact SD-CZ 3.56Å
401	N	79	Confident	78.7	Confident	59 Å²	59	83.3 Å²	83.3	32%	0.316	44%	0.435	S	S	.	.	H	α-helix	trans	-60.2	-34.2	177.6	-78.3	-15.7	0	0	0	113.3	M397 H398 V403 M404 V405	M397-N401 WeakPolarHBondContact O-CB 3.42Å; M397-N401 PolarHBondContact O-N 3.09Å; M397-N401 PolarHBondContact O-ND2 2.98Å; H398-N401 PolarHBondContact O-N 2.94Å; N401-V403 VanDerWaalsContact C-N 3.26Å; N401-V403 PolarHBondContact O-N 3.04Å; N401-M404 PolarHBondContact O-N 2.94Å; N401-V405 HydrophobicContact CB-CG2 4.41Å; N401-V405 WeakPolarHBondContact O-CB 3.2Å; N401-V405 VanDerWaalsContact O-CG2 3.31Å; N401-V405 WeakPolarHBondContact O-CG2 3.23Å; N401-V405 PolarHBondContact O-N 2.93Å
402	Y	83.1	Confident	79.3	Confident	195 Å²	195	78.8 Å²	78.8	77%	0.765	42%	0.418	S	S	*	.	H	α-helix	trans	-60.3	-35.8	177.7	-171.6	-97.5	0	0	0	112.7	H398 Y399 M400 P406	H398-Y402 PolarHBondContact O-N 2.88Å; Y399-Y402 PolarHBondContact O-N 3.28Å; M400-Y402 VanDerWaalsContact C-N 3.27Å; M400-Y402 PolarHBondContact O-N 2.9Å; Y402-P406 WeakPolarHBondContact O-CD 3.31Å; Y402-P406 VanDerWaalsContact O-CG 3.26Å; Y402-P406 WeakPolarHBondContact O-CG 3.49Å
403	V	80.7	Confident	80.4	Confident	90 Å²	90	74.5 Å²	74.5	55%	0.545	40%	0.402	S	S	.	.	H	α-helix	trans	-84.4	-39.2	177.9	179.7	0	0	0	0	111.3	M400 N401	M400-V403 PolarHBondContact O-N 3.22Å; M400-V403 VanDerWaalsContact O-N 3.16Å; N401-V403 VanDerWaalsContact C-N 3.26Å; N401-V403 PolarHBondContact O-N 3.04Å
404	M	78.6	Confident	81.2	Confident	12 Å²	12	78.4 Å²	78.4	6%	0.059	41%	0.413	C	S	.	.	H	α-helix	trans	-81.3	-39.1	-170.3	-61.1	-34.5	148.4	0	0	114.7	M400 N401 L407 V408 F439 L442	M400-M404 HydrophobicContact CG-CE 4Å; M400-M404 HydrophobicContact CG-CG 3.95Å; M400-M404 VanDerWaalsContact O-CG 3.26Å; M400-M404 WeakPolarHBondContact O-CG 3.35Å; M400-M404 PolarHBondContact O-N 3.44Å; N401-M404 PolarHBondContact O-N 2.94Å; M404-L407 PolarHBondContact O-N 3.27Å; M404-L407 VanDerWaalsContact O-N 3.14Å; M404-V408 WeakPolarHBondContact O-CG2 3.48Å; M404-V408 PolarHBondContact O-N 3.08Å; M404-F439 HydrophobicContact CB-CD1 3.77Å; M404-F439 HydrophobicContact CB-CE1 3.08Å; M404-F439 HydrophobicContact CB-CE2 4.07Å; M404-F439 HydrophobicContact CB-CZ 3.24Å; M404-F439 HydrophobicContact CG-CD1 3.65Å; M404-F439 HydrophobicContact CG-CE1 3.42Å; M404-F439 VanDerWaalsContact CG-CE1 3.42Å; M404-F439 HydrophobicContact CG-CZ 4.09Å; M404-L442 HydrophobicContact CE-CB 3.64Å; M404-L442 HydrophobicContact CE-CD1 3.26Å; M404-L442 HydrophobicContact CE-CD2 3.54Å; M404-L442 HydrophobicContact CE-CG 3.57Å; M404-L442 HydrophobicContact CG-CD1 4.27Å; M404-L442 HydrophobicContact SD-CB 4.3Å; M404-L442 HydrophobicContact SD-CD1 3.04Å; M404-L442 WeakPolarHBondContact SD-CD1 3.3Å; M404-L442 HydrophobicContact SD-CD2 4.45Å; M404-L442 HydrophobicContact SD-CG 4.03Å
405	V	83.7	Confident	81.7	Confident	71 Å²	71	77.2 Å²	77.2	43%	0.43	41%	0.405	S	S	.	.	H	α-helix	trans	-59	-46.1	-178.7	172.7	0	0	0	0	110.8	N401 L407 V408 I409	N401-V405 HydrophobicContact CB-CG2 4.41Å; N401-V405 WeakPolarHBondContact O-CB 3.2Å; N401-V405 VanDerWaalsContact O-CG2 3.31Å; N401-V405 WeakPolarHBondContact O-CG2 3.23Å; N401-V405 PolarHBondContact O-N 2.93Å; V405-L407 PolarHBondContact O-N 3.49Å; V405-V408 PolarHBondContact O-N 2.81Å; V405-I409 HydrophobicContact CG1-CD1 3.66Å; V405-I409 HydrophobicContact CG1-CG1 4.42Å; V405-I409 WeakPolarHBondContact O-CB 3.44Å; V405-I409 WeakPolarHBondContact O-CD1 2.82Å; V405-I409 WeakPolarHBondContact O-CG1 3.48Å; V405-I409 PolarHBondContact O-N 3.38Å
406	P	86.8	Confident	82.1	Confident	64 Å²	64	73 Å²	73	42%	0.416	39%	0.386	S	S	.	.	H	α-helix	trans	-59.8	-43.1	173.2	-25	35.1	0	0	0	113.5	Y402 V408 I409 I410	Y402-P406 WeakPolarHBondContact O-CD 3.31Å; Y402-P406 VanDerWaalsContact O-CG 3.26Å; Y402-P406 WeakPolarHBondContact O-CG 3.49Å; P406-V408 VanDerWaalsContact C-N 3.35Å; P406-V408 PolarHBondContact O-N 3.19Å; P406-I409 PolarHBondContact O-N 2.94Å; P406-I410 WeakPolarHBondContact O-CB 3.34Å; P406-I410 VanDerWaalsContact O-CG1 3.24Å; P406-I410 WeakPolarHBondContact O-CG1 3.21Å; P406-I410 PolarHBondContact O-N 3.43Å
407	L	85.9	Confident	82.7	Confident	96 Å²	96	75.1 Å²	75.1	50%	0.503	39%	0.387	S	S	.	.	H	α-helix	trans	-62.5	-42.1	-179.2	-171.6	69.3	0	0	0	111.8	M404 V405 G411	M404-L407 PolarHBondContact O-N 3.27Å; M404-L407 VanDerWaalsContact O-N 3.14Å; V405-L407 PolarHBondContact O-N 3.49Å; L407-G411 PolarHBondContact O-N 2.95Å
408	V	86.5	Confident	83.1	Confident	37 Å²	37	80.2 Å²	80.2	22%	0.224	41%	0.408	C	S	.	.	H	α-helix	trans	-68.8	-39.2	176.8	176.1	0	0	0	0	111.4	M404 V405 P406 G411 A412 F439	M404-V408 WeakPolarHBondContact O-CG2 3.48Å; M404-V408 PolarHBondContact O-N 3.08Å; V405-V408 PolarHBondContact O-N 2.81Å; P406-V408 VanDerWaalsContact C-N 3.35Å; P406-V408 PolarHBondContact O-N 3.19Å; V408-G411 PolarHBondContact O-N 3.42Å; V408-A412 VanDerWaalsContact O-CB 3.24Å; V408-A412 WeakPolarHBondContact O-CB 3.32Å; V408-A412 PolarHBondContact O-N 3.1Å; V408-F439 HydrophobicContact CG2-CD2 4.17Å; V408-F439 HydrophobicContact CG2-CE2 3.69Å
409	I	88	Confident	82.9	Confident	112 Å²	112	76 Å²	76	57%	0.574	39%	0.392	S	S	*	.	H	α-helix	trans	-63.7	-45.9	176.1	-69.6	167.2	0	0	0	110.8	V405 P406 A412 G413	V405-I409 HydrophobicContact CG1-CD1 3.66Å; V405-I409 HydrophobicContact CG1-CG1 4.42Å; V405-I409 WeakPolarHBondContact O-CB 3.44Å; V405-I409 WeakPolarHBondContact O-CD1 2.82Å; V405-I409 WeakPolarHBondContact O-CG1 3.48Å; V405-I409 PolarHBondContact O-N 3.38Å; P406-I409 PolarHBondContact O-N 2.94Å; I409-A412 PolarHBondContact O-N 3.31Å; I409-G413 PolarHBondContact O-N 3.2Å
410	I	88.8	Confident	82.6	Confident	119 Å²	119	70.2 Å²	70.2	61%	0.61	38%	0.376	S	S	*	.	H	α-helix	trans	-61.7	-45.8	176.5	-67.9	165.5	0	0	0	110.1	P406 A412 G413 Y414	P406-I410 WeakPolarHBondContact O-CB 3.34Å; P406-I410 VanDerWaalsContact O-CG1 3.24Å; P406-I410 WeakPolarHBondContact O-CG1 3.21Å; P406-I410 PolarHBondContact O-N 3.43Å; I410-A412 PolarHBondContact O-N 3.06Å; I410-G413 PolarHBondContact O-N 3.32Å; I410-Y414 WeakPolarHBondContact O-CB 3.25Å; I410-Y414 PolarHBondContact O-N 3.35Å
411	G	85.5	Confident	82.4	Confident	39 Å²	39	69.1 Å²	69.1	40%	0.402	37%	0.371	S	S	.	.	H	α-helix	trans	-62.3	-40.7	176.9	0	0	0	0	0	113.3	L407 V408 Y414 S415	L407-G411 PolarHBondContact O-N 2.95Å; V408-G411 PolarHBondContact O-N 3.42Å; G411-Y414 PolarHBondContact O-N 3.44Å; G411-S415 VanDerWaalsContact O-CB 3.27Å; G411-S415 WeakPolarHBondContact O-CB 3.44Å; G411-S415 PolarHBondContact O-N 3.47Å
412	A	87.8	Confident	81.8	Confident	18 Å²	18	69.1 Å²	69.1	15%	0.149	37%	0.373	C	S	.	.	H	α-helix	trans	-66.6	-40.2	176	0	0	0	0	0	111.8	V408 I409 I410 S415 L416 W427	V408-A412 VanDerWaalsContact O-CB 3.24Å; V408-A412 WeakPolarHBondContact O-CB 3.32Å; V408-A412 PolarHBondContact O-N 3.1Å; I409-A412 PolarHBondContact O-N 3.31Å; I410-A412 PolarHBondContact O-N 3.06Å; A412-S415 WeakPolarHBondContact O-CB 3.41Å; A412-S415 PolarHBondContact O-N 3.43Å; A412-L416 WeakPolarHBondContact O-CB 3.48Å; A412-L416 PolarHBondContact O-N 3.35Å; A412-W427 HydrophobicContact CB-CZ2 4.38Å; A412-W427 PolarHBondContact O-NE1 2.92Å
413	G	88	Confident	81.4	Confident	30 Å²	30	61.7 Å²	61.7	31%	0.309	35%	0.349	S	S	.	.	H	α-helix	trans	-64	-45.5	174.4	0	0	0	0	0	112.5	I409 I410 S415 L416 L417	I409-G413 PolarHBondContact O-N 3.2Å; I410-G413 PolarHBondContact O-N 3.32Å; G413-S415 PolarHBondContact O-N 3.07Å; G413-L416 PolarHBondContact O-N 2.96Å; G413-L417 WeakPolarHBondContact O-CG 3.42Å; G413-L417 PolarHBondContact O-N 2.94Å; G413-L417 VanDerWaalsContact O-N 3.08Å
414	Y	86.1	Confident	81.4	Confident	144 Å²	144	64.9 Å²	64.9	57%	0.565	35%	0.352	S	S	*	.	H	α-helix	trans	-60.4	-45.5	173.9	-179.1	-91.4	0	0	0	111.7	I410 G411 L416 L417 F418	I410-Y414 WeakPolarHBondContact O-CB 3.25Å; I410-Y414 PolarHBondContact O-N 3.35Å; G411-Y414 PolarHBondContact O-N 3.44Å; Y414-L416 VanDerWaalsContact C-N 3.26Å; Y414-L416 PolarHBondContact O-N 3.38Å; Y414-L417 PolarHBondContact O-N 2.98Å; Y414-F418 AromaticContact CD2-CD2 3.43Å; Y414-F418 HydrophobicContact CD2-CD2 3.43Å; Y414-F418 VanDerWaalsContact CD2-CD2 3.43Å; Y414-F418 AromaticContact CD2-CE2 3.79Å; Y414-F418 HydrophobicContact CD2-CE2 3.79Å; Y414-F418 HydrophobicContact CD2-CG 4.43Å; Y414-F418 HydrophobicContact CE1-CB 4.38Å; Y414-F418 HydrophobicContact CE2-CB 4.44Å; Y414-F418 AromaticContact CE2-CD2 3.39Å; Y414-F418 HydrophobicContact CE2-CD2 3.39Å; Y414-F418 AromaticContact CE2-CE2 3.81Å; Y414-F418 HydrophobicContact CE2-CE2 3.81Å; Y414-F418 HydrophobicContact CE2-CG 4.04Å; Y414-F418 HydrophobicContact CG-CD2 4.06Å; Y414-F418 AromaticContact CZ-CD2 3.99Å; Y414-F418 PolarHBondContact O-N 3.23Å
415	S	82.9	Confident	81.6	Confident	5 Å²	5	70.3 Å²	70.3	4%	0.035	37%	0.372	C	S	.	.	H	α-helix	trans	-59	-37.1	176.1	-176.6	0	0	0	0	111.9	G411 A412 G413 V419 H421	G411-S415 VanDerWaalsContact O-CB 3.27Å; G411-S415 WeakPolarHBondContact O-CB 3.44Å; G411-S415 PolarHBondContact O-N 3.47Å; A412-S415 WeakPolarHBondContact O-CB 3.41Å; A412-S415 PolarHBondContact O-N 3.43Å; G413-S415 PolarHBondContact O-N 3.07Å; S415-V419 WeakPolarHBondContact O-CB 3.35Å; S415-V419 PolarHBondContact O-N 3.43Å; S415-H421 PolarHBondContact O-CD2 2.98Å; S415-H421 PolarHBondContact O-NE2 3.37Å; S415-H421 PolarHBondContact OG-CE1 3.45Å; S415-H421 VanDerWaalsContact OG-CE1 3.28Å; S415-H421 PolarHBondContact OG-NE2 3.21Å
416	L	83.5	Confident	81.5	Confident	30 Å²	30	67 Å²	67	16%	0.157	35%	0.353	C	S	.	.	H	α-helix	trans	-71.2	-37.6	178.9	-169.1	65	0	0	0	112.7	L147 I148 A412 G413 Y414 W424 W427	L147-L416 HydrophobicContact CB-CD1 4.03Å; L147-L416 HydrophobicContact CD1-CD1 3.83Å; I148-L416 HydrophobicContact CD1-CB 4.39Å; I148-L416 HydrophobicContact CD1-CD2 3.94Å; I148-L416 HydrophobicContact CD1-CG 3.69Å; I148-L416 HydrophobicContact CG1-CD2 4.24Å; I148-L416 HydrophobicContact CG1-CG 3.92Å; A412-L416 WeakPolarHBondContact O-CB 3.48Å; A412-L416 PolarHBondContact O-N 3.35Å; G413-L416 PolarHBondContact O-N 2.96Å; Y414-L416 VanDerWaalsContact C-N 3.26Å; Y414-L416 PolarHBondContact O-N 3.38Å; L416-W424 HydrophobicContact CD1-CH2 4.23Å; L416-W424 HydrophobicContact CD1-CZ3 4.01Å; L416-W427 HydrophobicContact CB-CZ2 4.09Å; L416-W427 HydrophobicContact CD1-CD2 3.85Å; L416-W427 HydrophobicContact CD1-CG 4.02Å; L416-W427 HydrophobicContact CD1-CZ2 4.1Å; L416-W427 HydrophobicContact CD2-CZ2 4.13Å; L416-W427 HydrophobicContact CG-CZ2 4.32Å
417	L	82.2	Confident	81.5	Confident	91 Å²	91	66 Å²	66	48%	0.476	34%	0.34	S	S	.	.	H	α-helix	trans	-79	-41.3	-175.9	-73.6	164.9	0	0	0	113.5	V146 I148 G413 Y414	V146-L417 WeakPolarHBondContact CG1-O 3.3Å; I148-L417 HydrophobicContact CD1-CD2 3.43Å; I148-L417 VanDerWaalsContact CD1-CD2 3.43Å; I148-L417 HydrophobicContact CD1-CG 3.95Å; G413-L417 WeakPolarHBondContact O-CG 3.42Å; G413-L417 PolarHBondContact O-N 2.94Å; G413-L417 VanDerWaalsContact O-N 3.08Å; Y414-L417 PolarHBondContact O-N 2.98Å
418	F	79.8	Confident	81.6	Confident	133 Å²	133	65.7 Å²	65.7	58%	0.583	34%	0.339	S	S	*	.	H	α-helix	trans	-113.8	-23.3	-167	-64.1	-76.3	0	0	0	114.4	Y414	Y414-F418 AromaticContact CD2-CD2 3.43Å; Y414-F418 HydrophobicContact CD2-CD2 3.43Å; Y414-F418 VanDerWaalsContact CD2-CD2 3.43Å; Y414-F418 AromaticContact CD2-CE2 3.79Å; Y414-F418 HydrophobicContact CD2-CE2 3.79Å; Y414-F418 HydrophobicContact CD2-CG 4.43Å; Y414-F418 HydrophobicContact CE1-CB 4.38Å; Y414-F418 HydrophobicContact CE2-CB 4.44Å; Y414-F418 AromaticContact CE2-CD2 3.39Å; Y414-F418 HydrophobicContact CE2-CD2 3.39Å; Y414-F418 AromaticContact CE2-CE2 3.81Å; Y414-F418 HydrophobicContact CE2-CE2 3.81Å; Y414-F418 HydrophobicContact CE2-CG 4.04Å; Y414-F418 HydrophobicContact CG-CD2 4.06Å; Y414-F418 AromaticContact CZ-CD2 3.99Å; Y414-F418 PolarHBondContact O-N 3.23Å
419	V	73.7	Confident	81.6	Confident	47 Å²	47	64.5 Å²	64.5	29%	0.285	33%	0.331	S	S	.	.	S	Bend	trans	-98.5	127.4	-176.5	-177.6	0	0	0	0	109.4	S415 H421	S415-V419 WeakPolarHBondContact O-CB 3.35Å; S415-V419 PolarHBondContact O-N 3.43Å; V419-H421 PolarHBondContact O-CD2 2.89Å; V419-H421 PolarHBondContact O-N 3.5Å; V419-H421 PolarHBondContact O-NE2 3.15Å
420	P	70.4	Confident	81.5	Confident	57 Å²	57	60.9 Å²	60.9	37%	0.37	31%	0.312	S	S	.	.			trans	-70.2	132.1	173.5	27.2	-31.9	0	0	0	110.6	D144 R145 V146	D144-P420 HydrophobicContact CB-CB 4.2Å; D144-P420 HydrophobicContact CB-CG 4.39Å; R145-P420 CarbonylContact O-C 3.58Å; R145-P420 WeakPolarHBondContact O-CA 3.43Å; R145-P420 WeakPolarHBondContact O-CB 3.33Å; V146-P420 HydrophobicContact CG2-CB 4.4Å
421	H	69.4	Low	81.5	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.009	29%	0.286	C	S	.	.			trans	-122.6	148.6	177.7	-64.5	-75.6	0	0	0	110.7	R145 L147 S415 V419 W427 Q430	R145-H421 PolarHBondContact O-N 2.94Å; L147-H421 HydrophobicContact CD1-CB 3.77Å; L147-H421 HydrophobicContact CG-CB 4.14Å; S415-H421 PolarHBondContact O-CD2 2.98Å; S415-H421 PolarHBondContact O-NE2 3.37Å; S415-H421 PolarHBondContact OG-CE1 3.45Å; S415-H421 VanDerWaalsContact OG-CE1 3.28Å; S415-H421 PolarHBondContact OG-NE2 3.21Å; V419-H421 PolarHBondContact O-CD2 2.89Å; V419-H421 PolarHBondContact O-N 3.5Å; V419-H421 PolarHBondContact O-NE2 3.15Å; H421-W427 HydrophobicContact CB-CB 3.96Å; H421-W427 AromaticContact CD2-CD1 3.56Å; H421-W427 AromaticContact NE2-CD1 3.54Å; H421-Q430 PolarHBondContact CE1-OE1 2.98Å; H421-Q430 PolarHBondContact ND1-OE1 3.05Å
422	T	65.8	Low	81.7	Confident	59 Å²	59	56.8 Å²	56.8	36%	0.362	28%	0.282	S	S	.	.	S	Bend	trans	-78	-28.5	-177.9	56.7	0	0	0	0	113.1	R143 S426	R143-T422 HydrophobicContact CB-CG2 4.31Å; R143-T422 WeakPolarHBondContact CD-O 3.05Å; R143-T422 PolarHBondContact NH1-O 3.47Å; R143-T422 VanDerWaalsContact NH1-O 3.1Å; T422-S426 VanDerWaalsContact OG1-CB 3.3Å; T422-S426 WeakPolarHBondContact OG1-CB 3.38Å
423	S	74.9	Confident	81.7	Confident	39 Å²	39	56 Å²	56	27%	0.273	28%	0.275	S	S	.	.			trans	-160	161.5	-177.8	67.2	0	0	0	0	110.7	Y425 S426 W427	S423-Y425 PolarHBondContact O-N 3.02Å; S423-Y425 PolarHBondContact OG-N 3.45Å; S423-S426 PolarHBondContact O-N 2.88Å; S423-S426 PolarHBondContact OG-N 3.31Å; S423-W427 PolarHBondContact O-N 3.28Å
424	W	81	Confident	81.7	Confident	158 Å²	158	57.6 Å²	57.6	60%	0.598	28%	0.277	S	S	*	.	H	α-helix	trans	-57.5	-34.8	169.7	-76.6	98.1	0	0	0	112.5	L147 L416 W427 L428	L147-W424 HydrophobicContact CD1-CD2 4.42Å; L147-W424 HydrophobicContact CD2-CG 4.45Å; L416-W424 HydrophobicContact CD1-CH2 4.23Å; L416-W424 HydrophobicContact CD1-CZ3 4.01Å; W424-W427 AromaticContact CE3-CE3 3.71Å; W424-W427 HydrophobicContact CE3-CE3 3.71Å; W424-W427 AromaticContact CE3-CZ3 3.89Å; W424-W427 HydrophobicContact CE3-CZ3 3.89Å; W424-W427 HydrophobicContact CZ3-CE3 4.06Å; W424-W427 HydrophobicContact CZ3-CH2 4.47Å; W424-W427 AromaticContact CZ3-CZ3 3.93Å; W424-W427 HydrophobicContact CZ3-CZ3 3.93Å; W424-L428 VanDerWaalsContact O-CB 3.31Å; W424-L428 WeakPolarHBondContact O-CB 3.32Å; W424-L428 PolarHBondContact O-N 3.49Å
425	Y	83.6	Confident	81.8	Confident	125 Å²	125	51 Å²	51	49%	0.49	25%	0.252	S	S	.	.	H	α-helix	trans	-63.2	-47.8	173.8	175.1	-98.4	0	0	0	111.8	S423 W427 L428 L429	S423-Y425 PolarHBondContact O-N 3.02Å; S423-Y425 PolarHBondContact OG-N 3.45Å; Y425-W427 VanDerWaalsContact C-N 3.34Å; Y425-W427 PolarHBondContact O-N 2.95Å; Y425-L428 PolarHBondContact O-N 3.25Å; Y425-L429 HydrophobicContact CE1-CD2 3.82Å; Y425-L429 WeakPolarHBondContact O-CB 3.47Å; Y425-L429 PolarHBondContact O-N 3Å
426	S	80.9	Confident	82.1	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.014	25%	0.253	C	S	.	.	H	α-helix	trans	-64.9	-39.1	178.7	-166.6	0	0	0	0	111.3	D338 T422 S423 Q430	D338-S426 WeakPolarHBondContact OD2-CB 3.48Å; D338-S426 PolarHBondContact OD2-OG 3.24Å; T422-S426 VanDerWaalsContact OG1-CB 3.3Å; T422-S426 WeakPolarHBondContact OG1-CB 3.38Å; S423-S426 PolarHBondContact O-N 2.88Å; S423-S426 PolarHBondContact OG-N 3.31Å; S426-Q430 WeakPolarHBondContact O-CB 3.37Å; S426-Q430 PolarHBondContact O-N 3.47Å
427	W	85.7	Confident	82.2	Confident	42 Å²	42	51 Å²	51	16%	0.159	25%	0.25	C	S	.	.	H	α-helix	trans	-62.4	-49.8	173.8	167.2	75.3	0	0	0	112.3	L147 A412 L416 H421 S423 W424 Y425 L429 Q430 S431	L147-W427 HydrophobicContact CD1-CB 3.54Å; L147-W427 HydrophobicContact CD1-CG 3.94Å; A412-W427 HydrophobicContact CB-CZ2 4.38Å; A412-W427 PolarHBondContact O-NE1 2.92Å; L416-W427 HydrophobicContact CB-CZ2 4.09Å; L416-W427 HydrophobicContact CD1-CD2 3.85Å; L416-W427 HydrophobicContact CD1-CG 4.02Å; L416-W427 HydrophobicContact CD1-CZ2 4.1Å; L416-W427 HydrophobicContact CD2-CZ2 4.13Å; L416-W427 HydrophobicContact CG-CZ2 4.32Å; H421-W427 HydrophobicContact CB-CB 3.96Å; H421-W427 AromaticContact CD2-CD1 3.56Å; H421-W427 AromaticContact NE2-CD1 3.54Å; S423-W427 PolarHBondContact O-N 3.28Å; W424-W427 AromaticContact CE3-CE3 3.71Å; W424-W427 HydrophobicContact CE3-CE3 3.71Å; W424-W427 AromaticContact CE3-CZ3 3.89Å; W424-W427 HydrophobicContact CE3-CZ3 3.89Å; W424-W427 HydrophobicContact CZ3-CE3 4.06Å; W424-W427 HydrophobicContact CZ3-CH2 4.47Å; W424-W427 AromaticContact CZ3-CZ3 3.93Å; W424-W427 HydrophobicContact CZ3-CZ3 3.93Å; Y425-W427 VanDerWaalsContact C-N 3.34Å; Y425-W427 PolarHBondContact O-N 2.95Å; W427-L429 PolarHBondContact O-N 3.26Å; W427-Q430 PolarHBondContact O-N 2.8Å; W427-S431 PolarHBondContact NE1-OG 3.32Å; W427-S431 VanDerWaalsContact O-CB 3.25Å; W427-S431 WeakPolarHBondContact O-CB 3.46Å; W427-S431 PolarHBondContact O-N 3.13Å; W427-S431 PolarHBondContact O-OG 2.86Å
428	L	88.3	Confident	82.2	Confident	90 Å²	90	48.2 Å²	48.2	47%	0.471	24%	0.241	S	C	.	.	H	α-helix	trans	-61.1	-48.4	-179.4	178.8	65.6	0	0	0	110.1	W424 Y425 S431 M432	W424-L428 VanDerWaalsContact O-CB 3.31Å; W424-L428 WeakPolarHBondContact O-CB 3.32Å; W424-L428 PolarHBondContact O-N 3.49Å; Y425-L428 PolarHBondContact O-N 3.25Å; L428-S431 PolarHBondContact O-N 3.5Å; L428-M432 HydrophobicContact CD1-CG 4.4Å; L428-M432 HydrophobicContact CD1-SD 4.36Å; L428-M432 HydrophobicContact CG-CG 4.49Å; L428-M432 HydrophobicContact CG-SD 4.03Å; L428-M432 WeakPolarHBondContact O-CB 3.35Å; L428-M432 VanDerWaalsContact O-CG 3.24Å; L428-M432 WeakPolarHBondContact O-CG 3.08Å; L428-M432 PolarHBondContact O-N 2.85Å
429	L	87.5	Confident	82.3	Confident	12 Å²	12	42.7 Å²	42.7	6%	0.063	22%	0.217	C	C	.	.	H	α-helix	trans	-65	-42.5	-178.3	-173.6	65.5	0	0	0	112.3	F334 N335 D338 Y425 W427 S431 M432 A433	F334-L429 HydrophobicContact CB-CD1 3.73Å; F334-L429 HydrophobicContact CB-CD2 4.05Å; F334-L429 HydrophobicContact CB-CG 4.48Å; F334-L429 WeakPolarHBondContact O-CD2 3.22Å; N335-L429 HydrophobicContact CB-CD2 4.44Å; N335-L429 HydrophobicContact CB-CG 4.07Å; D338-L429 HydrophobicContact CB-CD2 3.81Å; Y425-L429 HydrophobicContact CE1-CD2 3.82Å; Y425-L429 WeakPolarHBondContact O-CB 3.47Å; Y425-L429 PolarHBondContact O-N 3Å; W427-L429 PolarHBondContact O-N 3.26Å; L429-S431 VanDerWaalsContact C-N 3.35Å; L429-M432 PolarHBondContact O-N 3.41Å; L429-A433 WeakPolarHBondContact O-CB 3.49Å; L429-A433 PolarHBondContact O-N 2.78Å
430	Q	85.6	Confident	82.5	Confident	37 Å²	37	41.5 Å²	41.5	17%	0.173	21%	0.213	C	C	.	.	H	α-helix	trans	-65.3	-39.7	175.1	-180	171.4	-13.9	0	0	111.6	K339 H421 S426 W427 A433 N434	K339-Q430 VanDerWaalsContact CE-OE1 3.31Å; H421-Q430 PolarHBondContact CE1-OE1 2.98Å; H421-Q430 PolarHBondContact ND1-OE1 3.05Å; S426-Q430 WeakPolarHBondContact O-CB 3.37Å; S426-Q430 PolarHBondContact O-N 3.47Å; W427-Q430 PolarHBondContact O-N 2.8Å; Q430-A433 PolarHBondContact O-N 3.42Å; Q430-N434 WeakPolarHBondContact O-CB 3.38Å; Q430-N434 VanDerWaalsContact O-CG 3.26Å; Q430-N434 PolarHBondContact O-N 3.02Å
431	S	88.3	Confident	82.7	Confident	10 Å²	10	42.9 Å²	42.9	7%	0.07	21%	0.214	C	C	.	.	H	α-helix	trans	-66.5	-41.7	177	-59	0	0	0	0	111.2	W427 L428 L429 G435	W427-S431 PolarHBondContact NE1-OG 3.32Å; W427-S431 VanDerWaalsContact O-CB 3.25Å; W427-S431 WeakPolarHBondContact O-CB 3.46Å; W427-S431 PolarHBondContact O-N 3.13Å; W427-S431 PolarHBondContact O-OG 2.86Å; L428-S431 PolarHBondContact O-N 3.5Å; L429-S431 VanDerWaalsContact C-N 3.35Å; S431-G435 PolarHBondContact O-N 3.27Å
432	M	89.8	Confident	82.9	Confident	62 Å²	62	44.7 Å²	44.7	31%	0.305	22%	0.223	S	C	.	.	H	α-helix	trans	-62.4	-45	172.7	-71.5	175.6	77.8	0	0	111.5	F327 V331 L428 L429 G435 V436	F327-M432 HydrophobicContact CE1-CE 4.48Å; F327-M432 HydrophobicContact CE2-CE 3.73Å; F327-M432 HydrophobicContact CZ-CE 3.39Å; V331-M432 HydrophobicContact CG1-CB 3.67Å; V331-M432 HydrophobicContact CG2-CE 3.69Å; L428-M432 HydrophobicContact CD1-CG 4.4Å; L428-M432 HydrophobicContact CD1-SD 4.36Å; L428-M432 HydrophobicContact CG-CG 4.49Å; L428-M432 HydrophobicContact CG-SD 4.03Å; L428-M432 WeakPolarHBondContact O-CB 3.35Å; L428-M432 VanDerWaalsContact O-CG 3.24Å; L428-M432 WeakPolarHBondContact O-CG 3.08Å; L428-M432 PolarHBondContact O-N 2.85Å; L429-M432 PolarHBondContact O-N 3.41Å; M432-G435 PolarHBondContact O-N 3.3Å; M432-V436 WeakPolarHBondContact O-CB 3.37Å; M432-V436 WeakPolarHBondContact O-CG2 3.48Å; M432-V436 PolarHBondContact O-N 2.68Å
433	A	89.1	Confident	83.1	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.2	-45.3	179.2	0	0	0	0	0	112	V331 N335 L429 Q430 G435 V436 Y437	V331-A433 HydrophobicContact CG1-CB 4.17Å; N335-A433 HydrophobicContact CB-CB 3.65Å; N335-A433 VanDerWaalsContact CG-CB 3.41Å; N335-A433 WeakPolarHBondContact ND2-CB 3.37Å; L429-A433 WeakPolarHBondContact O-CB 3.49Å; L429-A433 PolarHBondContact O-N 2.78Å; Q430-A433 PolarHBondContact O-N 3.42Å; A433-G435 VanDerWaalsContact C-N 3.29Å; A433-G435 PolarHBondContact O-N 3.47Å; A433-V436 PolarHBondContact O-N 2.7Å; A433-Y437 HydrophobicContact CB-CE2 4.13Å; A433-Y437 WeakPolarHBondContact O-CD2 3.4Å; A433-Y437 PolarHBondContact O-N 2.93Å
434	N	87.5	Confident	82.9	Confident	65 Å²	65	46.4 Å²	46.4	35%	0.348	22%	0.223	S	C	.	.	H	α-helix	trans	-59.2	-42.5	173.3	-74.5	-12.1	0	0	0	111.5	Q430 Y437 A438 A487	Q430-N434 WeakPolarHBondContact O-CB 3.38Å; Q430-N434 VanDerWaalsContact O-CG 3.26Å; Q430-N434 PolarHBondContact O-N 3.02Å; N434-Y437 PolarHBondContact O-N 3.49Å; N434-A438 WeakPolarHBondContact O-CB 3.47Å; N434-A438 PolarHBondContact O-N 2.93Å; N434-A487 WeakPolarHBondContact OD1-CB 3.4Å
435	G	87.8	Confident	82.4	Confident	5 Å²	5	43.7 Å²	43.7	5%	0.052	22%	0.218	C	C	.	.	H	α-helix	trans	-59	-50.5	173.6	0	0	0	0	0	111.5	S431 M432 A433 Y437 A438 F439	S431-G435 PolarHBondContact O-N 3.27Å; M432-G435 PolarHBondContact O-N 3.3Å; A433-G435 VanDerWaalsContact C-N 3.29Å; A433-G435 PolarHBondContact O-N 3.47Å; G435-Y437 PolarHBondContact O-N 3.46Å; G435-A438 CarbonylContact O-C 3.58Å; G435-A438 WeakPolarHBondContact O-CB 3.15Å; G435-A438 PolarHBondContact O-N 3.44Å; G435-A438 VanDerWaalsContact O-N 3.13Å; G435-F439 WeakPolarHBondContact O-CD2 3.46Å; G435-F439 PolarHBondContact O-N 3.34Å
436	V	88.5	Confident	81.7	Confident	8 Å²	8	40.8 Å²	40.8	5%	0.048	21%	0.214	C	C	.	.	H	α-helix	trans	-57.8	-43.9	177.3	163.8	0	0	0	0	112.1	F327 V331 I332 M432 A433 A438 F439 G440	F327-V436 HydrophobicContact CE1-CG2 4.33Å; V331-V436 HydrophobicContact CB-CG2 4.23Å; V331-V436 HydrophobicContact CG1-CG2 4.07Å; I332-V436 HydrophobicContact CD1-CG1 3.81Å; I332-V436 HydrophobicContact CG1-CG1 3.97Å; M432-V436 WeakPolarHBondContact O-CB 3.37Å; M432-V436 WeakPolarHBondContact O-CG2 3.48Å; M432-V436 PolarHBondContact O-N 2.68Å; A433-V436 PolarHBondContact O-N 2.7Å; V436-A438 VanDerWaalsContact C-N 3.34Å; V436-A438 PolarHBondContact O-N 2.95Å; V436-F439 PolarHBondContact O-N 2.87Å; V436-G440 PolarHBondContact O-N 2.91Å
437	Y	87.2	Confident	81.2	Confident	26 Å²	26	43.2 Å²	43.2	10%	0.102	23%	0.226	C	C	.	.	H	α-helix	trans	-63.6	-39.9	176.2	-65.3	-50.9	0	0	0	111.9	I332 A433 N434 G435 G440 F441 A487 H488 A491	I332-Y437 HydrophobicContact CD1-CD1 4.3Å; I332-Y437 HydrophobicContact CD1-CE1 3.76Å; I332-Y437 HydrophobicContact CG1-CE1 3.79Å; I332-Y437 HydrophobicContact CG2-CE1 4.42Å; A433-Y437 HydrophobicContact CB-CE2 4.13Å; A433-Y437 WeakPolarHBondContact O-CD2 3.4Å; A433-Y437 PolarHBondContact O-N 2.93Å; N434-Y437 PolarHBondContact O-N 3.49Å; G435-Y437 PolarHBondContact O-N 3.46Å; Y437-G440 PolarHBondContact O-N 3.35Å; Y437-F441 PolarHBondContact O-N 3.32Å; Y437-F441 VanDerWaalsContact O-N 3.14Å; Y437-A487 HydrophobicContact CD2-CB 3.8Å; Y437-A487 HydrophobicContact CE2-CB 3.81Å; Y437-H488 PolarHBondContact OH-CD2 2.92Å; Y437-H488 VanDerWaalsContact OH-CD2 3.26Å; Y437-A491 HydrophobicContact CD1-CB 3.53Å; Y437-A491 HydrophobicContact CE1-CB 3.92Å; Y437-A491 HydrophobicContact CG-CB 4.14Å
438	A	81.8	Confident	80.7	Confident	34 Å²	34	42.5 Å²	42.5	28%	0.281	23%	0.225	S	C	.	.	H	α-helix	trans	-65.8	-44.7	174.3	0	0	0	0	0	112	N434 G435 V436 G440 F441 L442	N434-A438 WeakPolarHBondContact O-CB 3.47Å; N434-A438 PolarHBondContact O-N 2.93Å; G435-A438 CarbonylContact O-C 3.58Å; G435-A438 WeakPolarHBondContact O-CB 3.15Å; G435-A438 PolarHBondContact O-N 3.44Å; G435-A438 VanDerWaalsContact O-N 3.13Å; V436-A438 VanDerWaalsContact C-N 3.34Å; V436-A438 PolarHBondContact O-N 2.95Å; A438-G440 VanDerWaalsContact C-N 3.32Å; A438-G440 PolarHBondContact O-N 3.14Å; A438-F441 VanDerWaalsContact O-CB 3.24Å; A438-F441 WeakPolarHBondContact O-CB 3.44Å; A438-F441 PolarHBondContact O-N 3.12Å; A438-F441 VanDerWaalsContact O-N 3.17Å; A438-L442 WeakPolarHBondContact O-CD1 3.4Å; A438-L442 PolarHBondContact O-N 3.19Å
439	F	81.3	Confident	80.2	Confident	17 Å²	17	44.3 Å²	44.3	8%	0.075	23%	0.229	C	C	.	.	H	α-helix	trans	-59.4	-44	173.6	-86.8	-76.6	0	0	0	111.3	W324 M400 M404 V408 G435 V436 F441 L442 F443	W324-F439 HydrophobicContact CH2-CD1 4.5Å; W324-F439 AromaticContact CH2-CD2 3.95Å; W324-F439 HydrophobicContact CH2-CD2 3.95Å; W324-F439 HydrophobicContact CH2-CE2 4.07Å; W324-F439 HydrophobicContact CH2-CG 4.2Å; W324-F439 HydrophobicContact CH2-CZ 4.37Å; W324-F439 HydrophobicContact CZ2-CB 3.71Å; W324-F439 AromaticContact CZ2-CD1 3.92Å; W324-F439 HydrophobicContact CZ2-CD1 3.92Å; W324-F439 AromaticContact CZ2-CD2 3.67Å; W324-F439 HydrophobicContact CZ2-CD2 3.67Å; W324-F439 HydrophobicContact CZ2-CE1 4.4Å; W324-F439 HydrophobicContact CZ2-CE2 4.23Å; W324-F439 AromaticContact CZ2-CG 3.53Å; W324-F439 HydrophobicContact CZ2-CG 3.53Å; M400-F439 HydrophobicContact CE-CD1 4.13Å; M400-F439 HydrophobicContact CE-CE1 4.24Å; M404-F439 HydrophobicContact CB-CD1 3.77Å; M404-F439 HydrophobicContact CB-CE1 3.08Å; M404-F439 HydrophobicContact CB-CE2 4.07Å; M404-F439 HydrophobicContact CB-CZ 3.24Å; M404-F439 HydrophobicContact CG-CD1 3.65Å; M404-F439 HydrophobicContact CG-CE1 3.42Å; M404-F439 VanDerWaalsContact CG-CE1 3.42Å; M404-F439 HydrophobicContact CG-CZ 4.09Å; V408-F439 HydrophobicContact CG2-CD2 4.17Å; V408-F439 HydrophobicContact CG2-CE2 3.69Å; G435-F439 WeakPolarHBondContact O-CD2 3.46Å; G435-F439 PolarHBondContact O-N 3.34Å; V436-F439 PolarHBondContact O-N 2.87Å; F439-F441 PolarHBondContact O-N 2.97Å; F439-L442 PolarHBondContact O-N 3.41Å; F439-F443 HydrophobicContact CB-CD2 4.44Å; F439-F443 HydrophobicContact CB-CE2 4.43Å; F439-F443 HydrophobicContact CD1-CE2 4.23Å; F439-F443 WeakPolarHBondContact O-CD2 3.46Å; F439-F443 PolarHBondContact O-N 3.46Å
440	G	78.1	Confident	79.6	Confident	21 Å²	21	47.1 Å²	47.1	22%	0.216	24%	0.244	C	C	.	.	H	α-helix	trans	-52.2	-46.5	175.1	0	0	0	0	0	111.1	V436 Y437 A438 L442 F443 M444 R494	V436-G440 PolarHBondContact O-N 2.91Å; Y437-G440 PolarHBondContact O-N 3.35Å; A438-G440 VanDerWaalsContact C-N 3.32Å; A438-G440 PolarHBondContact O-N 3.14Å; G440-L442 PolarHBondContact O-N 2.97Å; G440-F443 PolarHBondContact O-N 3.4Å; G440-M444 PolarHBondContact O-N 3.35Å; G440-R494 PolarHBondContact O-NH1 3.49Å; G440-R494 PolarHBondContact O-NH2 3.16Å
441	F	74.6	Confident	79.3	Confident	86 Å²	86	45.4 Å²	45.4	38%	0.377	24%	0.235	S	C	.	.	H	α-helix	trans	-51.9	-47.5	175.3	-166.9	-83.3	0	0	0	111.9	Y437 A438 F439 M444 M445 R494	Y437-F441 PolarHBondContact O-N 3.32Å; Y437-F441 VanDerWaalsContact O-N 3.14Å; A438-F441 VanDerWaalsContact O-CB 3.24Å; A438-F441 WeakPolarHBondContact O-CB 3.44Å; A438-F441 PolarHBondContact O-N 3.12Å; A438-F441 VanDerWaalsContact O-N 3.17Å; F439-F441 PolarHBondContact O-N 2.97Å; F441-M444 PolarHBondContact O-N 3.47Å; F441-M445 HydrophobicContact CE1-CE 4.15Å; F441-M445 HydrophobicContact CE1-SD 4.29Å; F441-M445 PolarHBondContact O-N 3.21Å; F441-R494 VanDerWaalsContact CA-NE 3.27Å; F441-R494 VanDerWaalsContact CD2-CD 3.48Å; F441-R494 HydrophobicContact CD2-CG 3.42Å; F441-R494 VanDerWaalsContact CD2-CG 3.42Å; F441-R494 HydrophobicContact CE2-CG 3.72Å; F441-R494 VanDerWaalsContact N-NH1 3.11Å
442	L	73.5	Confident	79	Confident	41 Å²	41	51.9 Å²	51.9	22%	0.215	26%	0.259	C	S	.	.	H	α-helix	trans	-82.6	-21.9	-170	-68.6	144.7	0	0	0	112.6	M404 A438 F439 G440 P446	M404-L442 HydrophobicContact CE-CB 3.64Å; M404-L442 HydrophobicContact CE-CD1 3.26Å; M404-L442 HydrophobicContact CE-CD2 3.54Å; M404-L442 HydrophobicContact CE-CG 3.57Å; M404-L442 HydrophobicContact CG-CD1 4.27Å; M404-L442 HydrophobicContact SD-CB 4.3Å; M404-L442 HydrophobicContact SD-CD1 3.04Å; M404-L442 WeakPolarHBondContact SD-CD1 3.3Å; M404-L442 HydrophobicContact SD-CD2 4.45Å; M404-L442 HydrophobicContact SD-CG 4.03Å; A438-L442 WeakPolarHBondContact O-CD1 3.4Å; A438-L442 PolarHBondContact O-N 3.19Å; F439-L442 PolarHBondContact O-N 3.41Å; G440-L442 PolarHBondContact O-N 2.97Å; L442-P446 WeakPolarHBondContact O-CD 3.34Å; L442-P446 WeakPolarHBondContact O-CG 3.47Å
443	F	69.7	Low	78.6	Confident	62 Å²	62	58.1 Å²	58.1	27%	0.272	28%	0.279	S	S	.	.	H	α-helix	trans	-74.8	-28.7	170.1	-84.3	-70.3	0	0	0	113.8	W324 M397 M400 F439 G440 P446	W324-F443 AromaticContact CD1-CE2 3.45Å; W324-F443 VanDerWaalsContact CD1-CE2 3.45Å; W324-F443 AromaticContact CD1-CZ 3.86Å; W324-F443 AromaticContact CE2-CE2 3.92Å; W324-F443 HydrophobicContact CG-CE2 4.29Å; W324-F443 HydrophobicContact CG-CZ 4.42Å; W324-F443 AromaticContact NE1-CD2 3.78Å; W324-F443 AromaticContact NE1-CE2 3.18Å; M397-F443 HydrophobicContact CE-CE1 3.71Å; M397-F443 HydrophobicContact CE-CZ 3.44Å; M397-F443 VanDerWaalsContact CE-CZ 3.44Å; M397-F443 HydrophobicContact SD-CE1 4.26Å; M397-F443 HydrophobicContact SD-CZ 3.66Å; M400-F443 HydrophobicContact CE-CD1 4.28Å; M400-F443 HydrophobicContact CE-CD2 4.22Å; M400-F443 HydrophobicContact CE-CE1 3.46Å; M400-F443 VanDerWaalsContact CE-CE1 3.46Å; M400-F443 HydrophobicContact CE-CE2 3.35Å; M400-F443 HydrophobicContact CE-CZ 2.94Å; M400-F443 HydrophobicContact SD-CD1 3.82Å; M400-F443 HydrophobicContact SD-CD2 3.98Å; M400-F443 HydrophobicContact SD-CE1 3.58Å; M400-F443 VanDerWaalsContact SD-CE1 3.58Å; M400-F443 HydrophobicContact SD-CE2 3.72Å; M400-F443 HydrophobicContact SD-CG 4.04Å; M400-F443 HydrophobicContact SD-CZ 3.56Å; M400-F443 VanDerWaalsContact SD-CZ 3.56Å; F439-F443 HydrophobicContact CB-CD2 4.44Å; F439-F443 HydrophobicContact CB-CE2 4.43Å; F439-F443 HydrophobicContact CD1-CE2 4.23Å; F439-F443 WeakPolarHBondContact O-CD2 3.46Å; F439-F443 PolarHBondContact O-N 3.46Å; G440-F443 PolarHBondContact O-N 3.4Å; F443-P446 WeakPolarHBondContact O-CD 3.35Å
444	M	70.8	Confident	78.2	Confident	71 Å²	71	62.3 Å²	62.3	35%	0.35	30%	0.302	S	S	.	.	H	α-helix	trans	-80.7	-26.5	176.9	-68.6	-166.3	-161.8	0	0	112.7	G440 F441 Q447 R494 D495 I498	G440-M444 PolarHBondContact O-N 3.35Å; F441-M444 PolarHBondContact O-N 3.47Å; M444-Q447 PolarHBondContact O-N 3.39Å; M444-R494 PolarHBondContact SD-NH2 2.86Å; M444-D495 WeakPolarHBondContact CE-OD1 3.38Å; M444-I498 HydrophobicContact CB-CD1 3.9Å; M444-I498 HydrophobicContact CB-CG2 4.45Å; M444-I498 HydrophobicContact SD-CD1 3.95Å; M444-I498 HydrophobicContact SD-CG2 4.3Å
445	M	71	Confident	78	Confident	101 Å²	101	66 Å²	66	50%	0.498	31%	0.314	S	S	.	.	H	α-helix	trans	-59.8	-44.2	180	-126.6	-168.8	-175.2	0	0	114.2	F441 Q447 L448 F449	F441-M445 HydrophobicContact CE1-CE 4.15Å; F441-M445 HydrophobicContact CE1-SD 4.29Å; F441-M445 PolarHBondContact O-N 3.21Å; M445-Q447 PolarHBondContact O-N 2.88Å; M445-L448 PolarHBondContact O-N 3.48Å; M445-L448 VanDerWaalsContact O-N 3.12Å; M445-F449 PolarHBondContact O-N 2.9Å
446	P	68.8	Low	77.8	Confident	64 Å²	64	66.4 Å²	66.4	42%	0.416	32%	0.317	S	S	.	.	H	α-helix	trans	-54.3	-35.7	176.3	-31.1	33.9	0	0	0	113.2	L442 F443 F449 I450	L442-P446 WeakPolarHBondContact O-CD 3.34Å; L442-P446 WeakPolarHBondContact O-CG 3.47Å; F443-P446 WeakPolarHBondContact O-CD 3.35Å; P446-F449 PolarHBondContact O-N 3.27Å; P446-I450 WeakPolarHBondContact O-CB 3.45Å; P446-I450 WeakPolarHBondContact O-CD1 3.18Å; P446-I450 WeakPolarHBondContact O-CG1 3.33Å; P446-I450 PolarHBondContact O-N 3.36Å
447	Q	70.2	Confident	77.4	Confident	53 Å²	53	66.1 Å²	66.1	25%	0.248	32%	0.315	C	S	.	.	H	α-helix	trans	-67.9	-43.1	179.3	-165.4	-171.7	-27.3	0	0	112.1	M444 M445 F449 I450 N451 E518	M444-Q447 PolarHBondContact O-N 3.39Å; M445-Q447 PolarHBondContact O-N 2.88Å; Q447-F449 VanDerWaalsContact C-N 3.29Å; Q447-F449 PolarHBondContact O-N 2.92Å; Q447-I450 PolarHBondContact O-N 2.84Å; Q447-N451 PolarHBondContact O-N 3.17Å; Q447-N451 PolarHBondContact O-ND2 3.28Å; Q447-N451 PolarHBondContact O-OD1 3.44Å; Q447-E518 VanDerWaalsContact CD-CG 3.41Å; Q447-E518 PolarHBondContact NE2-OE1 3.17Å; Q447-E518 VanDerWaalsContact OE1-CD 3.23Å; Q447-E518 PolarHBondContact OE1-OE1 2.82Å
448	L	76.1	Confident	76.9	Confident	27 Å²	27	65.2 Å²	65.2	14%	0.141	31%	0.313	C	S	.	.	H	α-helix	trans	-62.6	-39.2	172.3	-66.4	177.9	0	0	0	111	M445 N451 Y452 I498 V501 Q505	M445-L448 PolarHBondContact O-N 3.48Å; M445-L448 VanDerWaalsContact O-N 3.12Å; L448-N451 PolarHBondContact O-N 3.39Å; L448-Y452 WeakPolarHBondContact O-CB 3.46Å; L448-Y452 PolarHBondContact O-N 2.62Å; L448-I498 HydrophobicContact CD1-CG2 4.08Å; L448-V501 HydrophobicContact CD1-CB 4.33Å; L448-V501 HydrophobicContact CD1-CG1 3.99Å; L448-V501 HydrophobicContact CD2-CG1 4.12Å; L448-Q505 PolarHBondContact O-NE2 2.95Å
449	F	77.4	Confident	76.5	Confident	129 Å²	129	65.9 Å²	65.9	57%	0.566	31%	0.31	S	S	*	.	H	α-helix	trans	-66.3	-42.5	177.3	-178.1	-100.9	0	0	0	112.3	M445 P446 Q447 N451 Y452 R453	M445-F449 PolarHBondContact O-N 2.9Å; P446-F449 PolarHBondContact O-N 3.27Å; Q447-F449 VanDerWaalsContact C-N 3.29Å; Q447-F449 PolarHBondContact O-N 2.92Å; F449-N451 VanDerWaalsContact C-N 3.34Å; F449-N451 PolarHBondContact O-N 2.92Å; F449-Y452 WeakPolarHBondContact O-CB 3.36Å; F449-Y452 PolarHBondContact O-N 3.5Å; F449-R453 WeakPolarHBondContact O-CB 3.13Å; F449-R453 PolarHBondContact O-N 3.43Å
450	I	74.2	Confident	76.1	Confident	71 Å²	71	65.5 Å²	65.5	36%	0.364	31%	0.309	S	S	.	.	H	α-helix	trans	-65.1	-40.1	176.7	-66.3	161.8	0	0	0	110.1	P446 Q447 Y452 R453 L454	P446-I450 WeakPolarHBondContact O-CB 3.45Å; P446-I450 WeakPolarHBondContact O-CD1 3.18Å; P446-I450 WeakPolarHBondContact O-CG1 3.33Å; P446-I450 PolarHBondContact O-N 3.36Å; Q447-I450 PolarHBondContact O-N 2.84Å; I450-Y452 VanDerWaalsContact C-N 3.32Å; I450-Y452 PolarHBondContact O-N 3.07Å; I450-R453 PolarHBondContact O-N 2.97Å; I450-L454 HydrophobicContact CG2-CD1 3.52Å; I450-L454 HydrophobicContact CG2-CG 3.98Å; I450-L454 WeakPolarHBondContact O-CB 3.47Å; I450-L454 WeakPolarHBondContact O-CG 3.35Å; I450-L454 PolarHBondContact O-N 3.12Å
451	N	80.5	Confident	75.8	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60.2	-43.5	174.1	-66.9	-11.5	0	0	0	111.7	Q447 L448 F449 K455 S456 V457 Q505 R515	Q447-N451 PolarHBondContact O-N 3.17Å; Q447-N451 PolarHBondContact O-ND2 3.28Å; Q447-N451 PolarHBondContact O-OD1 3.44Å; L448-N451 PolarHBondContact O-N 3.39Å; F449-N451 VanDerWaalsContact C-N 3.34Å; F449-N451 PolarHBondContact O-N 2.92Å; N451-K455 WeakPolarHBondContact O-CA 3.26Å; N451-K455 PolarHBondContact O-N 3.03Å; N451-S456 WeakPolarHBondContact CA-O 3.3Å; N451-S456 PolarHBondContact O-N 2.75Å; N451-V457 HydrophobicContact CB-CG2 4.41Å; N451-Q505 PolarHBondContact ND2-OE1 3.46Å; N451-R515 VanDerWaalsContact OD1-CZ 3.28Å; N451-R515 PolarHBondContact OD1-NH1 3.38Å; N451-R515 PolarHBondContact OD1-NH2 3.45Å
452	Y	81	Confident	75.7	Confident	147 Å²	147	69.4 Å²	69.4	58%	0.576	32%	0.319	S	S	*	.	H	α-helix	trans	-63.4	-45.9	175.5	178.6	-98.3	0	0	0	111.8	L448 F449 I450 K455 Y509	L448-Y452 WeakPolarHBondContact O-CB 3.46Å; L448-Y452 PolarHBondContact O-N 2.62Å; F449-Y452 WeakPolarHBondContact O-CB 3.36Å; F449-Y452 PolarHBondContact O-N 3.5Å; I450-Y452 VanDerWaalsContact C-N 3.32Å; I450-Y452 PolarHBondContact O-N 3.07Å; Y452-K455 PolarHBondContact O-N 3.41Å; Y452-Y509 WeakPolarHBondContact CD2-OH 3.29Å
453	R	81	Confident	75.6	Confident	192 Å²	192	74.9 Å²	74.9	73%	0.725	34%	0.341	S	S	*	.	H	α-helix	trans	-66.1	-45.8	-178.6	-165.2	-149.7	-170.2	-166	5.4	112.4	F449 I450 K455	F449-R453 WeakPolarHBondContact O-CB 3.13Å; F449-R453 PolarHBondContact O-N 3.43Å; I450-R453 PolarHBondContact O-N 2.97Å; R453-K455 VanDerWaalsContact C-N 3.26Å
454	L	81.6	Confident	75.7	Confident	89 Å²	89	73.4 Å²	73.4	47%	0.466	34%	0.337	S	S	.	.	H	α-helix	trans	-79.4	-11.2	179.9	-64.2	179.9	0	0	0	112.6	I450 S456	I450-L454 HydrophobicContact CG2-CD1 3.52Å; I450-L454 HydrophobicContact CG2-CG 3.98Å; I450-L454 WeakPolarHBondContact O-CB 3.47Å; I450-L454 WeakPolarHBondContact O-CG 3.35Å; I450-L454 PolarHBondContact O-N 3.12Å; L454-S456 PolarHBondContact O-N 3.18Å; L454-S456 VanDerWaalsContact O-N 3.14Å
455	K	83.2	Confident	76	Confident	142 Å²	142	70.7 Å²	70.7	62%	0.617	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	36.3	-171.3	-60.6	-175.6	178.1	179.9	0	112.1	N451 Y452 R453 Y509 P510	N451-K455 WeakPolarHBondContact O-CA 3.26Å; N451-K455 PolarHBondContact O-N 3.03Å; Y452-K455 PolarHBondContact O-N 3.41Å; R453-K455 VanDerWaalsContact C-N 3.26Å; K455-Y509 HydrophobicContact CB-CD1 3.73Å; K455-Y509 HydrophobicContact CB-CE1 3.85Å; K455-Y509 HydrophobicContact CG-CD1 4.25Å; K455-Y509 HydrophobicContact CG-CE1 3.84Å; K455-Y509 WeakPolarHBondContact O-CB 3.49Å; K455-P510 WeakPolarHBondContact O-CD 3.47Å
456	S	82.7	Confident	76.4	Confident	14 Å²	14	68.4 Å²	68.4	10%	0.098	31%	0.312	C	S	.	.			trans	-146.5	146.5	178.8	76	0	0	0	0	110.5	N451 L454 P510 R515	N451-S456 WeakPolarHBondContact CA-O 3.3Å; N451-S456 PolarHBondContact O-N 2.75Å; L454-S456 PolarHBondContact O-N 3.18Å; L454-S456 VanDerWaalsContact O-N 3.14Å; S456-P510 WeakPolarHBondContact CA-O 3.34Å; S456-R515 PolarHBondContact O-NH1 3.38Å
457	V	80.9	Confident	76.8	Confident	1 Å²	1	70.1 Å²	70.1	1%	0.006	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	131.1	177.5	176.5	0	0	0	0	109.2	N451 H459 Y502 Q505 R506 P510 V511 D512	N451-V457 HydrophobicContact CB-CG2 4.41Å; V457-H459 PolarHBondContact O-N 3.44Å; V457-Y502 HydrophobicContact CG1-CD2 4.47Å; V457-Y502 HydrophobicContact CG1-CE2 3.48Å; V457-Y502 VanDerWaalsContact CG1-CE2 3.48Å; V457-Y502 WeakPolarHBondContact CG1-OH 3.4Å; V457-Q505 HydrophobicContact CG2-CB 4.27Å; V457-R506 HydrophobicContact CG1-CB 4.5Å; V457-R506 HydrophobicContact CG2-CB 4.49Å; V457-P510 PolarHBondContact N-O 3.38Å; V457-V511 CarbonylContact O-C 3.55Å; V457-V511 VanDerWaalsContact O-CA 3.32Å; V457-V511 WeakPolarHBondContact O-CA 3.45Å; V457-D512 PolarHBondContact O-N 3.13Å
458	A	76.3	Confident	77	Confident	8 Å²	8	70.5 Å²	70.5	7%	0.066	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	136.8	178	0	0	0	0	0	111.4	M460 R515 N517	A458-M460 PolarHBondContact O-N 3.38Å; A458-R515 HydrophobicContact CB-CB 4.15Å; A458-R515 HydrophobicContact CB-CG 3.99Å; A458-N517 HydrophobicContact CB-CB 4.09Å
459	H	73.9	Confident	77.3	Confident	48 Å²	48	69.6 Å²	69.6	22%	0.222	31%	0.308	C	S	.	.			trans	-64.3	118.4	179.1	-179.8	-96.3	0	0	0	112	V457 V511 D512 K513 N517 Y523	V457-H459 PolarHBondContact O-N 3.44Å; H459-V511 HydrophobicContact CB-CG1 3.71Å; H459-D512 PolarHBondContact N-O 3.11Å; H459-K513 HydrophobicContact CB-CB 4.44Å; H459-K513 HydrophobicContact CB-CG 4.11Å; H459-N517 PolarHBondContact O-ND2 2.72Å; H459-N517 VanDerWaalsContact O-ND2 3.16Å; H459-Y523 HydrophobicContact CB-CD2 4.3Å; H459-Y523 AromaticContact ND1-CD2 3.25Å; H459-Y523 WeakPolarHBondContact ND1-CD2 3.3Å; H459-Y523 AromaticContact ND1-CE2 3.49Å; H459-Y523 WeakPolarHBondContact ND1-CE2 2.8Å; H459-Y523 AromaticContact ND1-CG 3.76Å
460	M	71.7	Confident	77.6	Confident	9 Å²	9	68.4 Å²	68.4	4%	0.044	30%	0.303	C	S	.	.			trans	-106.6	129.5	170.1	-167.7	178.3	-64.7	0	0	109.4	A458 W462 T464 F465 K468 F519	A458-M460 PolarHBondContact O-N 3.38Å; M460-W462 PolarHBondContact O-N 2.65Å; M460-T464 HydrophobicContact CG-CG2 4.35Å; M460-T464 HydrophobicContact SD-CG2 4.31Å; M460-F465 HydrophobicContact CB-CB 4.48Å; M460-F465 HydrophobicContact CG-CB 4.16Å; M460-F465 HydrophobicContact SD-CB 3.92Å; M460-F465 HydrophobicContact SD-CD2 4.46Å; M460-K468 HydrophobicContact CE-CD 4.27Å; M460-K468 HydrophobicContact SD-CD 4.43Å; M460-F519 HydrophobicContact CE-CE2 4Å; M460-F519 HydrophobicContact CG-CE2 4.47Å; M460-F519 HydrophobicContact SD-CE2 4.22Å
461	P	73	Confident	77.9	Confident	34 Å²	34	66.5 Å²	66.5	22%	0.221	29%	0.294	C	S	.	.			trans	-53.3	135.7	174	-28.3	37.2	0	0	0	111.3	K463 T464 F465 Y523	P461-K463 PolarHBondContact O-N 3.14Å; P461-K463 VanDerWaalsContact O-N 3.1Å; P461-T464 PolarHBondContact O-N 3.27Å; P461-F465 PolarHBondContact O-N 3.37Å; P461-Y523 HydrophobicContact CG-CE2 4.2Å; P461-Y523 WeakPolarHBondContact CG-OH 3.43Å
462	W	72	Confident	77.9	Confident	155 Å²	155	67.2 Å²	67.2	59%	0.587	30%	0.298	S	S	*	.	H	α-helix	trans	-51.8	-39.4	-176.7	-176.8	-105.7	0	0	0	113.2	M460 F465 M466	M460-W462 PolarHBondContact O-N 2.65Å; W462-F465 HydrophobicContact CE3-CD1 4.01Å; W462-F465 HydrophobicContact CE3-CE1 4.45Å; W462-F465 HydrophobicContact CH2-CE1 4.38Å; W462-F465 AromaticContact CZ3-CD1 3.99Å; W462-F465 HydrophobicContact CZ3-CD1 3.99Å; W462-F465 AromaticContact CZ3-CE1 3.96Å; W462-F465 HydrophobicContact CZ3-CE1 3.96Å; W462-F465 PolarHBondContact O-N 3.48Å; W462-M466 HydrophobicContact CD2-CE 4.46Å; W462-M466 VanDerWaalsContact CE2-CE 3.47Å; W462-M466 HydrophobicContact CH2-CE 4Å; W462-M466 HydrophobicContact CZ2-CE 3.2Å; W462-M466 WeakPolarHBondContact O-CB 3Å; W462-M466 PolarHBondContact O-N 3.35Å
463	K	72.1	Confident	78	Confident	155 Å²	155	64.5 Å²	64.5	67%	0.674	29%	0.289	S	S	*	.	H	α-helix	trans	-61.3	-50.5	177	-65.4	-174.3	178.7	-177.1	0	112.2	P461 F465 M466 Y467	P461-K463 PolarHBondContact O-N 3.14Å; P461-K463 VanDerWaalsContact O-N 3.1Å; K463-F465 VanDerWaalsContact C-N 3.33Å; K463-F465 PolarHBondContact O-N 2.98Å; K463-M466 PolarHBondContact O-N 3.33Å; K463-Y467 HydrophobicContact CB-CE2 4.44Å; K463-Y467 WeakPolarHBondContact O-CD2 3.25Å; K463-Y467 VanDerWaalsContact O-CG 3.27Å; K463-Y467 PolarHBondContact O-N 2.9Å
464	T	70.3	Confident	78.1	Confident	31 Å²	31	56.6 Å²	56.6	19%	0.19	26%	0.261	C	S	.	.	H	α-helix	trans	-65	-40	179.8	-50	0	0	0	0	111.4	M460 P461 M466 Y467 K468 F519	M460-T464 HydrophobicContact CG-CG2 4.35Å; M460-T464 HydrophobicContact SD-CG2 4.31Å; P461-T464 PolarHBondContact O-N 3.27Å; T464-M466 VanDerWaalsContact C-N 3.34Å; T464-Y467 PolarHBondContact O-N 2.89Å; T464-K468 WeakPolarHBondContact O-CB 3.44Å; T464-K468 PolarHBondContact O-N 3.12Å; T464-F519 HydrophobicContact CG2-CD2 4.25Å; T464-F519 HydrophobicContact CG2-CE2 3.46Å; T464-F519 VanDerWaalsContact CG2-CE2 3.46Å; T464-F519 HydrophobicContact CG2-CZ 3.64Å
465	F	77.5	Confident	78	Confident	14 Å²	14	54.5 Å²	54.5	6%	0.061	25%	0.25	C	S	.	.	H	α-helix	trans	-60.3	-45	174.7	170.5	-100.7	0	0	0	111.7	M460 P461 W462 K463 K468 A469 F499 Y502 L503 R506	M460-F465 HydrophobicContact CB-CB 4.48Å; M460-F465 HydrophobicContact CG-CB 4.16Å; M460-F465 HydrophobicContact SD-CB 3.92Å; M460-F465 HydrophobicContact SD-CD2 4.46Å; P461-F465 PolarHBondContact O-N 3.37Å; W462-F465 HydrophobicContact CE3-CD1 4.01Å; W462-F465 HydrophobicContact CE3-CE1 4.45Å; W462-F465 HydrophobicContact CH2-CE1 4.38Å; W462-F465 AromaticContact CZ3-CD1 3.99Å; W462-F465 HydrophobicContact CZ3-CD1 3.99Å; W462-F465 AromaticContact CZ3-CE1 3.96Å; W462-F465 HydrophobicContact CZ3-CE1 3.96Å; W462-F465 PolarHBondContact O-N 3.48Å; K463-F465 VanDerWaalsContact C-N 3.33Å; K463-F465 PolarHBondContact O-N 2.98Å; F465-K468 PolarHBondContact O-N 3.25Å; F465-A469 WeakPolarHBondContact O-CB 3.29Å; F465-A469 PolarHBondContact O-N 3.41Å; F465-F499 HydrophobicContact CD2-CE2 4.37Å; F465-F499 AromaticContact CE2-CE2 3.86Å; F465-F499 HydrophobicContact CE2-CE2 3.86Å; F465-F499 AromaticContact CE2-CZ 3.87Å; F465-F499 HydrophobicContact CE2-CZ 3.87Å; F465-F499 HydrophobicContact CZ-CZ 4.09Å; F465-Y502 HydrophobicContact CD2-CE1 4.12Å; F465-Y502 HydrophobicContact CE2-CD1 4.38Å; F465-Y502 AromaticContact CE2-CE1 3.88Å; F465-Y502 HydrophobicContact CE2-CE1 3.88Å; F465-L503 HydrophobicContact CE2-CD2 3.64Å; F465-L503 HydrophobicContact CZ-CD2 3.35Å; F465-R506 VanDerWaalsContact CD1-NH1 3.33Å; F465-R506 VanDerWaalsContact CD2-NH1 3.3Å; F465-R506 VanDerWaalsContact CE1-NH1 3.26Å; F465-R506 VanDerWaalsContact CG-NH1 3.33Å
466	M	79.8	Confident	78.1	Confident	54 Å²	54	49 Å²	49	27%	0.266	23%	0.228	S	C	.	.	H	α-helix	trans	-66.7	-39.2	178.9	-163.6	65.2	71.6	0	0	112.2	W462 K463 T464 A469 F470	W462-M466 HydrophobicContact CD2-CE 4.46Å; W462-M466 VanDerWaalsContact CE2-CE 3.47Å; W462-M466 HydrophobicContact CH2-CE 4Å; W462-M466 HydrophobicContact CZ2-CE 3.2Å; W462-M466 WeakPolarHBondContact O-CB 3Å; W462-M466 PolarHBondContact O-N 3.35Å; K463-M466 PolarHBondContact O-N 3.33Å; T464-M466 VanDerWaalsContact C-N 3.34Å; M466-A469 PolarHBondContact O-N 3.15Å; M466-F470 HydrophobicContact CG-CD2 3.68Å; M466-F470 HydrophobicContact CG-CE2 3.3Å; M466-F470 HydrophobicContact CG-CZ 4.25Å; M466-F470 WeakPolarHBondContact O-CD2 3.48Å; M466-F470 PolarHBondContact O-N 3.09Å; M466-F470 HydrophobicContact SD-CD2 4.23Å; M466-F470 HydrophobicContact SD-CE2 3.61Å; M466-F470 HydrophobicContact SD-CZ 3.99Å
467	Y	77.3	Confident	78	Confident	100 Å²	100	51.5 Å²	51.5	39%	0.392	24%	0.242	S	C	.	.	H	α-helix	trans	-63.3	-42.8	173.3	-61.6	-30.3	0	0	0	112	K463 T464 A469 F470 N471	K463-Y467 HydrophobicContact CB-CE2 4.44Å; K463-Y467 WeakPolarHBondContact O-CD2 3.25Å; K463-Y467 VanDerWaalsContact O-CG 3.27Å; K463-Y467 PolarHBondContact O-N 2.9Å; T464-Y467 PolarHBondContact O-N 2.89Å; Y467-A469 VanDerWaalsContact C-N 3.33Å; Y467-A469 PolarHBondContact O-N 3.17Å; Y467-F470 PolarHBondContact O-N 2.99Å; Y467-N471 WeakPolarHBondContact O-CB 3.45Å; Y467-N471 PolarHBondContact O-N 3.12Å; Y467-N471 PolarHBondContact O-OD1 3.18Å; Y467-N471 VanDerWaalsContact O-OD1 3.14Å
468	K	75.3	Confident	77.9	Confident	60 Å²	60	51.7 Å²	51.7	26%	0.261	24%	0.243	S	C	.	.	H	α-helix	trans	-59.8	-45.1	175.3	-171.7	173.1	-178.2	175.2	0	111	M460 T464 F465 N471 T472 E518	M460-K468 HydrophobicContact CE-CD 4.27Å; M460-K468 HydrophobicContact SD-CD 4.43Å; T464-K468 WeakPolarHBondContact O-CB 3.44Å; T464-K468 PolarHBondContact O-N 3.12Å; F465-K468 PolarHBondContact O-N 3.25Å; K468-N471 PolarHBondContact O-N 3.38Å; K468-T472 WeakPolarHBondContact O-CG2 3.43Å; K468-T472 PolarHBondContact O-N 3.29Å; K468-T472 VanDerWaalsContact O-N 3.16Å; K468-T472 PolarHBondContact O-OG1 3.47Å; K468-E518 IonicContact NZ-OE1 3.99Å; K468-E518 PolarHBondContact NZ-OE1 3.31Å; K468-E518 IonicContact NZ-OE2 3.85Å; K468-E518 PolarHBondContact NZ-OE2 2.67Å
469	A	81.3	Confident	77.9	Confident	9 Å²	9	51.6 Å²	51.6	7%	0.074	24%	0.242	C	C	.	.	H	α-helix	trans	-61.2	-49.5	178.4	0	0	0	0	0	112.5	F465 M466 Y467 N471 T472 F473 F499	F465-A469 WeakPolarHBondContact O-CB 3.29Å; F465-A469 PolarHBondContact O-N 3.41Å; M466-A469 PolarHBondContact O-N 3.15Å; Y467-A469 VanDerWaalsContact C-N 3.33Å; Y467-A469 PolarHBondContact O-N 3.17Å; A469-N471 VanDerWaalsContact C-N 3.33Å; A469-N471 PolarHBondContact O-N 2.84Å; A469-T472 PolarHBondContact O-N 2.87Å; A469-T472 PolarHBondContact O-OG1 3.36Å; A469-F473 WeakPolarHBondContact O-CD2 3.49Å; A469-F473 PolarHBondContact O-N 2.98Å; A469-F499 HydrophobicContact CB-CE1 3.67Å; A469-F499 HydrophobicContact CB-CE2 4.23Å; A469-F499 HydrophobicContact CB-CZ 3.33Å
470	F	83.9	Confident	78.1	Confident	104 Å²	104	57.7 Å²	57.7	46%	0.456	27%	0.268	S	S	.	.	H	α-helix	trans	-66.7	-36.7	-179.1	-75	-54.9	0	0	0	112.4	L296 M466 Y467 I474	L296-F470 HydrophobicContact CD1-CB 3.85Å; M466-F470 HydrophobicContact CG-CD2 3.68Å; M466-F470 HydrophobicContact CG-CE2 3.3Å; M466-F470 HydrophobicContact CG-CZ 4.25Å; M466-F470 WeakPolarHBondContact O-CD2 3.48Å; M466-F470 PolarHBondContact O-N 3.09Å; M466-F470 HydrophobicContact SD-CD2 4.23Å; M466-F470 HydrophobicContact SD-CE2 3.61Å; M466-F470 HydrophobicContact SD-CZ 3.99Å; Y467-F470 PolarHBondContact O-N 2.99Å; F470-I474 HydrophobicContact CB-CD1 4.4Å; F470-I474 VanDerWaalsContact O-CB 3.23Å; F470-I474 WeakPolarHBondContact O-CB 3.3Å; F470-I474 WeakPolarHBondContact O-CD1 3.39Å; F470-I474 WeakPolarHBondContact O-CG1 3.41Å; F470-I474 PolarHBondContact O-N 2.83Å
471	N	80.5	Confident	78	Confident	30 Å²	30	59.4 Å²	59.4	16%	0.16	28%	0.279	C	S	.	.	H	α-helix	trans	-60.8	-51.7	176.3	-72.6	13	0	0	0	110.8	L296 Y467 K468 A469 F473 I474 D475	L296-N471 WeakPolarHBondContact CB-OD1 3.38Å; Y467-N471 WeakPolarHBondContact O-CB 3.45Å; Y467-N471 PolarHBondContact O-N 3.12Å; Y467-N471 PolarHBondContact O-OD1 3.18Å; Y467-N471 VanDerWaalsContact O-OD1 3.14Å; K468-N471 PolarHBondContact O-N 3.38Å; A469-N471 VanDerWaalsContact C-N 3.33Å; A469-N471 PolarHBondContact O-N 2.84Å; N471-F473 PolarHBondContact O-N 2.84Å; N471-I474 PolarHBondContact O-N 3.34Å; N471-D475 VanDerWaalsContact O-CB 3.31Å; N471-D475 WeakPolarHBondContact O-CB 3.34Å; N471-D475 PolarHBondContact O-N 3.14Å; N471-D475 VanDerWaalsContact O-OD1 3.07Å
472	T	81	Confident	77.9	Confident	15 Å²	15	58.7 Å²	58.7	9%	0.092	27%	0.273	C	S	.	.	H	α-helix	trans	-60	-44.9	-177.6	56.2	0	0	0	0	112.6	K468 A469 D475 D476 D495 F499	K468-T472 WeakPolarHBondContact O-CG2 3.43Å; K468-T472 PolarHBondContact O-N 3.29Å; K468-T472 VanDerWaalsContact O-N 3.16Å; K468-T472 PolarHBondContact O-OG1 3.47Å; A469-T472 PolarHBondContact O-N 2.87Å; A469-T472 PolarHBondContact O-OG1 3.36Å; T472-D475 PolarHBondContact O-N 2.93Å; T472-D476 PolarHBondContact O-N 3.49Å; T472-D495 HydrophobicContact CG2-CB 4.46Å; T472-F499 HydrophobicContact CG2-CB 4.5Å
473	F	83.2	Confident	77.5	Confident	90 Å²	90	57.3 Å²	57.3	40%	0.395	27%	0.268	S	S	.	.	H	α-helix	trans	-67.5	-39.2	179.8	-73.7	-58.9	0	0	0	113	A469 N471 V477 D496 F499 L500	A469-F473 WeakPolarHBondContact O-CD2 3.49Å; A469-F473 PolarHBondContact O-N 2.98Å; N471-F473 PolarHBondContact O-N 2.84Å; F473-V477 WeakPolarHBondContact O-CG2 3.49Å; F473-V477 PolarHBondContact O-N 2.97Å; F473-D496 WeakPolarHBondContact CD1-OD1 3.48Å; F473-D496 WeakPolarHBondContact CE1-OD1 3.3Å; F473-F499 HydrophobicContact CE2-CD1 4.31Å; F473-F499 AromaticContact CE2-CE1 3.99Å; F473-F499 HydrophobicContact CE2-CE1 3.99Å; F473-F499 HydrophobicContact CZ-CD1 4.41Å; F473-F499 HydrophobicContact CZ-CE1 4.42Å; F473-L500 HydrophobicContact CZ-CD2 4.45Å
474	I	81.7	Confident	77.5	Confident	26 Å²	26	50.7 Å²	50.7	13%	0.133	24%	0.239	C	C	.	.	H	α-helix	trans	-72.6	-36.8	-178.9	-70.4	171.7	0	0	0	110.4	I289 V292 H293 L296 F470 N471 D476 V477 F478	I289-I474 HydrophobicContact CG2-CG2 4.12Å; V292-I474 HydrophobicContact CG1-CD1 3.66Å; H293-I474 HydrophobicContact CB-CG2 3.45Å; H293-I474 VanDerWaalsContact CB-CG2 3.45Å; L296-I474 HydrophobicContact CD1-CD1 3.46Å; L296-I474 VanDerWaalsContact CD1-CD1 3.46Å; F470-I474 HydrophobicContact CB-CD1 4.4Å; F470-I474 VanDerWaalsContact O-CB 3.23Å; F470-I474 WeakPolarHBondContact O-CB 3.3Å; F470-I474 WeakPolarHBondContact O-CD1 3.39Å; F470-I474 WeakPolarHBondContact O-CG1 3.41Å; F470-I474 PolarHBondContact O-N 2.83Å; N471-I474 PolarHBondContact O-N 3.34Å; I474-D476 VanDerWaalsContact C-N 3.29Å; I474-D476 PolarHBondContact O-N 3.46Å; I474-V477 PolarHBondContact O-N 3.27Å; I474-F478 WeakPolarHBondContact O-CB 3.34Å; I474-F478 PolarHBondContact O-N 2.91Å
475	D	81.3	Confident	77.7	Confident	45 Å²	45	50.5 Å²	50.5	24%	0.241	24%	0.238	C	C	.	.	H	α-helix	trans	-61.1	-38	176.2	-67.7	-1.3	0	0	0	111.6	H293 N471 T472 F478 A479	H293-D475 IonicContact CE1-OD1 3.84Å; H293-D475 PolarHBondContact CE1-OD1 2.93Å; H293-D475 IonicContact ND1-OD1 3.75Å; H293-D475 PolarHBondContact ND1-OD1 2.78Å; N471-D475 VanDerWaalsContact O-CB 3.31Å; N471-D475 WeakPolarHBondContact O-CB 3.34Å; N471-D475 PolarHBondContact O-N 3.14Å; N471-D475 VanDerWaalsContact O-OD1 3.07Å; T472-D475 PolarHBondContact O-N 2.93Å; D475-F478 PolarHBondContact O-N 2.84Å; D475-A479 VanDerWaalsContact O-CB 3.25Å; D475-A479 WeakPolarHBondContact O-CB 3.44Å; D475-A479 PolarHBondContact O-N 2.96Å
476	D	84.7	Confident	77.8	Confident	28 Å²	28	55.5 Å²	55.5	15%	0.15	27%	0.27	C	S	.	.	H	α-helix	trans	-69.4	-44.3	176.8	-88.8	8.9	0	0	0	113	T472 I474 F478 A479 F480 C492 F493 D496	T472-D476 PolarHBondContact O-N 3.49Å; I474-D476 VanDerWaalsContact C-N 3.29Å; I474-D476 PolarHBondContact O-N 3.46Å; D476-F478 PolarHBondContact O-N 3.38Å; D476-A479 PolarHBondContact O-N 3.14Å; D476-F480 PolarHBondContact O-N 3.01Å; D476-C492 WeakPolarHBondContact OD1-CB 3.49Å; D476-F493 VanDerWaalsContact OD1-CA 3.26Å; D476-F493 WeakPolarHBondContact OD1-CA 3.36Å; D476-F493 PolarHBondContact OD1-N 2.84Å; D476-D496 WeakPolarHBondContact OD2-CB 3.25Å
477	V	80.9	Confident	77.9	Confident	65 Å²	65	53.9 Å²	53.9	39%	0.394	27%	0.266	S	S	.	.	H	α-helix	trans	-62.3	-40	174	178.2	0	0	0	0	110	I289 F473 I474 F480 V481	I289-V477 HydrophobicContact CD1-CG1 3.85Å; I289-V477 HydrophobicContact CG2-CG1 4.22Å; F473-V477 WeakPolarHBondContact O-CG2 3.49Å; F473-V477 PolarHBondContact O-N 2.97Å; I474-V477 PolarHBondContact O-N 3.27Å; V477-F480 PolarHBondContact O-N 3.31Å; V477-V481 HydrophobicContact CG1-CG2 4.38Å; V477-V481 VanDerWaalsContact O-CG2 3.29Å; V477-V481 WeakPolarHBondContact O-CG2 3.33Å; V477-V481 PolarHBondContact O-N 3.48Å; V477-V481 VanDerWaalsContact O-N 3.07Å
478	F	77.6	Confident	78.1	Confident	5 Å²	5	50.3 Å²	50.3	2%	0.022	25%	0.252	C	S	.	.	H	α-helix	trans	-65.1	-42.1	176.6	-170.2	-116.1	0	0	0	111.9	H293 L344 V345 I474 D475 D476 F480 V481 F482 M484	H293-F478 AromaticContact NE2-CD1 3.84Å; L344-F478 HydrophobicContact CB-CZ 3.93Å; L344-F478 HydrophobicContact CD2-CD2 4.22Å; L344-F478 HydrophobicContact CD2-CE1 3.9Å; L344-F478 HydrophobicContact CD2-CE2 3.19Å; L344-F478 HydrophobicContact CD2-CZ 3.08Å; L344-F478 HydrophobicContact CG-CE2 4.47Å; L344-F478 HydrophobicContact CG-CZ 4.05Å; V345-F478 HydrophobicContact CG2-CD1 4.32Å; V345-F478 HydrophobicContact CG2-CE1 3.41Å; V345-F478 VanDerWaalsContact CG2-CE1 3.41Å; V345-F478 HydrophobicContact CG2-CZ 4.14Å; I474-F478 WeakPolarHBondContact O-CB 3.34Å; I474-F478 PolarHBondContact O-N 2.91Å; D475-F478 PolarHBondContact O-N 2.84Å; D476-F478 PolarHBondContact O-N 3.38Å; F478-F480 VanDerWaalsContact C-N 3.27Å; F478-F480 PolarHBondContact O-N 2.92Å; F478-V481 PolarHBondContact O-N 2.93Å; F478-F482 AromaticContact CD2-CD2 3.13Å; F478-F482 HydrophobicContact CD2-CD2 3.13Å; F478-F482 AromaticContact CD2-CE2 3.32Å; F478-F482 HydrophobicContact CD2-CE2 3.32Å; F478-F482 AromaticContact CD2-CG 3.89Å; F478-F482 HydrophobicContact CD2-CG 3.89Å; F478-F482 HydrophobicContact CD2-CZ 4.2Å; F478-F482 HydrophobicContact CE2-CB 4.1Å; F478-F482 AromaticContact CE2-CD1 3.69Å; F478-F482 HydrophobicContact CE2-CD1 3.69Å; F478-F482 AromaticContact CE2-CD2 2.95Å; F478-F482 HydrophobicContact CE2-CD2 2.95Å; F478-F482 AromaticContact CE2-CE1 3.82Å; F478-F482 HydrophobicContact CE2-CE1 3.82Å; F478-F482 AromaticContact CE2-CE2 3.11Å; F478-F482 HydrophobicContact CE2-CE2 3.11Å; F478-F482 AromaticContact CE2-CG 3.29Å; F478-F482 HydrophobicContact CE2-CG 3.29Å; F478-F482 AromaticContact CE2-CZ 3.56Å; F478-F482 HydrophobicContact CE2-CZ 3.56Å; F478-F482 HydrophobicContact CG-CD2 4.03Å; F478-F482 HydrophobicContact CZ-CB 3.98Å; F478-F482 AromaticContact CZ-CD1 3.9Å; F478-F482 HydrophobicContact CZ-CD1 3.9Å; F478-F482 AromaticContact CZ-CD2 3.73Å; F478-F482 HydrophobicContact CZ-CD2 3.73Å; F478-F482 HydrophobicContact CZ-CE1 4.35Å; F478-F482 HydrophobicContact CZ-CE2 4.21Å; F478-F482 AromaticContact CZ-CG 3.58Å; F478-F482 HydrophobicContact CZ-CG 3.58Å; F478-F482 WeakPolarHBondContact O-CB 3.35Å; F478-F482 PolarHBondContact O-N 3.41Å; F478-M484 HydrophobicContact CB-CE 4.48Å; F478-M484 HydrophobicContact CD1-CE 3.15Å; F478-M484 HydrophobicContact CE1-CE 3.3Å; F478-M484 HydrophobicContact CG-CE 3.93Å; F478-M484 HydrophobicContact CZ-CE 4.13Å; F478-M484 WeakPolarHBondContact O-CE 3.33Å
479	A	77	Confident	78.5	Confident	6 Å²	6	51.4 Å²	51.4	5%	0.05	26%	0.255	C	S	.	.	H	α-helix	trans	-60.7	-33.4	175.2	0	0	0	0	0	113.1	D475 D476 M484 R489 C492	D475-A479 VanDerWaalsContact O-CB 3.25Å; D475-A479 WeakPolarHBondContact O-CB 3.44Å; D475-A479 PolarHBondContact O-N 2.96Å; D476-A479 PolarHBondContact O-N 3.14Å; A479-M484 HydrophobicContact CB-CE 4.37Å; A479-M484 HydrophobicContact CB-SD 4.24Å; A479-R489 HydrophobicContact CB-CB 4.44Å; A479-R489 HydrophobicContact CB-CG 4.16Å; A479-R489 VanDerWaalsContact O-CZ 3.23Å; A479-R489 PolarHBondContact O-NE 3.29Å; A479-R489 PolarHBondContact O-NH2 3.4Å; A479-C492 HydrophobicContact CB-CB 4.37Å
480	F	77.2	Confident	78.7	Confident	176 Å²	176	56.5 Å²	56.5	77%	0.772	28%	0.28	S	S	*	.	H	α-helix	trans	-75.1	-45.3	176	-173.9	-101.7	0	0	0	112.5	D476 V477 F478	D476-F480 PolarHBondContact O-N 3.01Å; V477-F480 PolarHBondContact O-N 3.31Å; F478-F480 VanDerWaalsContact C-N 3.27Å; F478-F480 PolarHBondContact O-N 2.92Å
481	V	71.1	Confident	78.7	Confident	45 Å²	45	52.2 Å²	52.2	27%	0.273	26%	0.264	S	S	.	.	H	α-helix	trans	-73.2	-43.2	-175.4	173.7	0	0	0	0	112.1	T286 V477 F478	T286-V481 HydrophobicContact CG2-CB 4.44Å; T286-V481 HydrophobicContact CG2-CG1 3.55Å; T286-V481 HydrophobicContact CG2-CG2 3.98Å; V477-V481 HydrophobicContact CG1-CG2 4.38Å; V477-V481 VanDerWaalsContact O-CG2 3.29Å; V477-V481 WeakPolarHBondContact O-CG2 3.33Å; V477-V481 PolarHBondContact O-N 3.48Å; V477-V481 VanDerWaalsContact O-N 3.07Å; F478-V481 PolarHBondContact O-N 2.93Å
482	F	69.9	Low	78.8	Confident	20 Å²	20	51.6 Å²	51.6	9%	0.088	26%	0.262	C	S	.	.	S	Bend	trans	-100.1	149.8	-172.5	-67.6	-102.5	0	0	0	111.6	M274 F478 M484 R489	M274-F482 HydrophobicContact CE-CD1 3.06Å; M274-F482 HydrophobicContact CE-CD2 4.45Å; M274-F482 HydrophobicContact CE-CE1 3.04Å; M274-F482 HydrophobicContact CE-CE2 4.44Å; M274-F482 HydrophobicContact CE-CG 3.82Å; M274-F482 HydrophobicContact CE-CZ 3.79Å; M274-F482 HydrophobicContact SD-CD1 4.25Å; M274-F482 HydrophobicContact SD-CE1 3.62Å; M274-F482 HydrophobicContact SD-CZ 4.06Å; F478-F482 AromaticContact CD2-CD2 3.13Å; F478-F482 HydrophobicContact CD2-CD2 3.13Å; F478-F482 AromaticContact CD2-CE2 3.32Å; F478-F482 HydrophobicContact CD2-CE2 3.32Å; F478-F482 AromaticContact CD2-CG 3.89Å; F478-F482 HydrophobicContact CD2-CG 3.89Å; F478-F482 HydrophobicContact CD2-CZ 4.2Å; F478-F482 HydrophobicContact CE2-CB 4.1Å; F478-F482 AromaticContact CE2-CD1 3.69Å; F478-F482 HydrophobicContact CE2-CD1 3.69Å; F478-F482 AromaticContact CE2-CD2 2.95Å; F478-F482 HydrophobicContact CE2-CD2 2.95Å; F478-F482 AromaticContact CE2-CE1 3.82Å; F478-F482 HydrophobicContact CE2-CE1 3.82Å; F478-F482 AromaticContact CE2-CE2 3.11Å; F478-F482 HydrophobicContact CE2-CE2 3.11Å; F478-F482 AromaticContact CE2-CG 3.29Å; F478-F482 HydrophobicContact CE2-CG 3.29Å; F478-F482 AromaticContact CE2-CZ 3.56Å; F478-F482 HydrophobicContact CE2-CZ 3.56Å; F478-F482 HydrophobicContact CG-CD2 4.03Å; F478-F482 HydrophobicContact CZ-CB 3.98Å; F478-F482 AromaticContact CZ-CD1 3.9Å; F478-F482 HydrophobicContact CZ-CD1 3.9Å; F478-F482 AromaticContact CZ-CD2 3.73Å; F478-F482 HydrophobicContact CZ-CD2 3.73Å; F478-F482 HydrophobicContact CZ-CE1 4.35Å; F478-F482 HydrophobicContact CZ-CE2 4.21Å; F478-F482 AromaticContact CZ-CG 3.58Å; F478-F482 HydrophobicContact CZ-CG 3.58Å; F478-F482 WeakPolarHBondContact O-CB 3.35Å; F478-F482 PolarHBondContact O-N 3.41Å; F482-M484 HydrophobicContact CB-CE 4.12Å; F482-M484 PolarHBondContact O-N 3.49Å; F482-R489 PolarHBondContact O-NH2 2.9Å
483	R	64.6	Low	78.9	Confident	126 Å²	126	56 Å²	56	48%	0.475	28%	0.28	S	S	.	.			trans	-74.8	113.8	-179	-71.2	-177.3	176.7	179.1	-3.2	110.1	D219 E270 N273	D219-R483 IonicContact OD1-NH1 3.14Å; D219-R483 IonicContact OD2-CZ 2.72Å; D219-R483 VanDerWaalsContact OD2-CZ 3.28Å; D219-R483 IonicContact OD2-NH1 2.65Å; D219-R483 PolarHBondContact OD2-NH1 2.92Å; D219-R483 IonicContact OD2-NH2 3.68Å; D219-R483 PolarHBondContact OD2-NH2 3.48Å; E270-R483 PolarHBondContact OE1-N 2.97Å; N273-R483 PolarHBondContact ND2-NH2 2.92Å
484	M	70.7	Confident	79.1	Confident	16 Å²	16	52.8 Å²	52.8	8%	0.079	27%	0.265	C	S	.	.			trans	-132.4	154.6	175.2	-57.7	-177.5	-154.5	0	0	110.3	V345 F478 A479 F482 T486 R489	V345-M484 HydrophobicContact CG2-CE 3.46Å; V345-M484 VanDerWaalsContact CG2-CE 3.46Å; V345-M484 HydrophobicContact CG2-CG 3.98Å; V345-M484 HydrophobicContact CG2-SD 3.73Å; F478-M484 HydrophobicContact CB-CE 4.48Å; F478-M484 HydrophobicContact CD1-CE 3.15Å; F478-M484 HydrophobicContact CE1-CE 3.3Å; F478-M484 HydrophobicContact CG-CE 3.93Å; F478-M484 HydrophobicContact CZ-CE 4.13Å; F478-M484 WeakPolarHBondContact O-CE 3.33Å; A479-M484 HydrophobicContact CB-CE 4.37Å; A479-M484 HydrophobicContact CB-SD 4.24Å; F482-M484 HydrophobicContact CB-CE 4.12Å; F482-M484 PolarHBondContact O-N 3.49Å; M484-T486 PolarHBondContact O-N 3.1Å; M484-R489 HydrophobicContact CB-CG 3.8Å; M484-R489 PolarHBondContact O-NE 3.41Å
485	P	75.9	Confident	79.2	Confident	26 Å²	26	54 Å²	54	17%	0.169	27%	0.272	C	S	.	.			trans	-56.3	138.4	172.8	-23.3	34.5	0	0	0	110.8	L336 K339 A487 H488 R489	L336-P485 HydrophobicContact CD2-CG 4.08Å; K339-P485 HydrophobicContact CB-CG 3.74Å; K339-P485 HydrophobicContact CG-CG 4.06Å; P485-A487 PolarHBondContact O-N 3.33Å; P485-A487 VanDerWaalsContact O-N 3.14Å; P485-H488 PolarHBondContact O-N 3.36Å; P485-R489 PolarHBondContact O-N 3.22Å
486	T	79.3	Confident	79.5	Confident	120 Å²	120	52.7 Å²	52.7	74%	0.736	27%	0.265	S	S	*	.	H	α-helix	trans	-54	-36.4	-179.2	49.9	0	0	0	0	112.8	M484 R489 L490	M484-T486 PolarHBondContact O-N 3.1Å; T486-R489 PolarHBondContact O-N 3.25Å; T486-L490 WeakPolarHBondContact O-CB 3.4Å; T486-L490 PolarHBondContact O-N 3.45Å
487	A	81.5	Confident	79.5	Confident	20 Å²	20	55.1 Å²	55.1	17%	0.165	28%	0.277	C	S	.	.	H	α-helix	trans	-63.1	-41.3	175.7	0	0	0	0	0	113	N434 Y437 P485 A491	N434-A487 WeakPolarHBondContact OD1-CB 3.4Å; Y437-A487 HydrophobicContact CD2-CB 3.8Å; Y437-A487 HydrophobicContact CE2-CB 3.81Å; P485-A487 PolarHBondContact O-N 3.33Å; P485-A487 VanDerWaalsContact O-N 3.14Å; A487-A491 PolarHBondContact O-N 2.94Å
488	H	81.2	Confident	79.7	Confident	24 Å²	24	53.2 Å²	53.2	11%	0.111	26%	0.264	C	S	.	.	H	α-helix	trans	-70.3	-40.8	175.8	-172	-76.7	0	0	0	111	L336 Y437 P485 L490 A491 C492	L336-H488 HydrophobicContact CD2-CB 4.35Å; Y437-H488 PolarHBondContact OH-CD2 2.92Å; Y437-H488 VanDerWaalsContact OH-CD2 3.26Å; P485-H488 PolarHBondContact O-N 3.36Å; H488-L490 VanDerWaalsContact C-N 3.3Å; H488-L490 PolarHBondContact O-N 3.49Å; H488-A491 WeakPolarHBondContact O-CB 3.34Å; H488-A491 PolarHBondContact O-N 3.34Å; H488-A491 VanDerWaalsContact O-N 3.1Å; H488-C492 VanDerWaalsContact CE1-SG 3.54Å; H488-C492 PolarHBondContact O-N 3.02Å; H488-C492 PolarHBondContact O-SG 3.48Å; H488-C492 VanDerWaalsContact O-SG 3.42Å
489	R	84.7	Confident	80	Confident	83 Å²	83	53.4 Å²	53.4	31%	0.313	27%	0.265	S	S	.	.	H	α-helix	trans	-59.1	-43.4	174.9	-66.5	-177.6	164.5	-179.9	-8.1	111.8	A479 F482 M484 P485 T486 A491 C492 F493	A479-R489 HydrophobicContact CB-CB 4.44Å; A479-R489 HydrophobicContact CB-CG 4.16Å; A479-R489 VanDerWaalsContact O-CZ 3.23Å; A479-R489 PolarHBondContact O-NE 3.29Å; A479-R489 PolarHBondContact O-NH2 3.4Å; F482-R489 PolarHBondContact O-NH2 2.9Å; M484-R489 HydrophobicContact CB-CG 3.8Å; M484-R489 PolarHBondContact O-NE 3.41Å; P485-R489 PolarHBondContact O-N 3.22Å; T486-R489 PolarHBondContact O-N 3.25Å; R489-A491 VanDerWaalsContact C-N 3.28Å; R489-A491 PolarHBondContact O-N 3.23Å; R489-C492 PolarHBondContact O-N 2.9Å; R489-F493 WeakPolarHBondContact O-CB 3.43Å; R489-F493 PolarHBondContact O-N 2.74Å
490	L	84.9	Confident	80.5	Confident	116 Å²	116	57.1 Å²	57.1	61%	0.607	28%	0.284	S	S	*	.	H	α-helix	trans	-64.9	-34.8	176.1	-173.7	64.5	0	0	0	111.6	T486 H488 F493 R494	T486-L490 WeakPolarHBondContact O-CB 3.4Å; T486-L490 PolarHBondContact O-N 3.45Å; H488-L490 VanDerWaalsContact C-N 3.3Å; H488-L490 PolarHBondContact O-N 3.49Å; L490-F493 HydrophobicContact CD1-CD1 4.46Å; L490-R494 WeakPolarHBondContact O-CB 3.34Å; L490-R494 PolarHBondContact O-N 2.83Å
491	A	83.8	Confident	80.9	Confident	14 Å²	14	51.6 Å²	51.6	12%	0.116	26%	0.264	C	S	.	.	H	α-helix	trans	-66.6	-41.9	175.5	0	0	0	0	0	112.4	Y437 A487 H488 R489 R494 D495	Y437-A491 HydrophobicContact CD1-CB 3.53Å; Y437-A491 HydrophobicContact CE1-CB 3.92Å; Y437-A491 HydrophobicContact CG-CB 4.14Å; A487-A491 PolarHBondContact O-N 2.94Å; H488-A491 WeakPolarHBondContact O-CB 3.34Å; H488-A491 PolarHBondContact O-N 3.34Å; H488-A491 VanDerWaalsContact O-N 3.1Å; R489-A491 VanDerWaalsContact C-N 3.28Å; R489-A491 PolarHBondContact O-N 3.23Å; A491-R494 WeakPolarHBondContact O-CB 3.17Å; A491-R494 PolarHBondContact O-N 3.18Å; A491-D495 PolarHBondContact O-N 3.45Å
492	C	81.8	Confident	81.6	Confident	17 Å²	17	50 Å²	50	12%	0.115	25%	0.254	C	S	.	.	H	α-helix	trans	-60.7	-51.9	172.3	-62.5	0	0	0	0	111	D476 A479 H488 R489 R494 D495 D496	D476-C492 WeakPolarHBondContact OD1-CB 3.49Å; A479-C492 HydrophobicContact CB-CB 4.37Å; H488-C492 VanDerWaalsContact CE1-SG 3.54Å; H488-C492 PolarHBondContact O-N 3.02Å; H488-C492 PolarHBondContact O-SG 3.48Å; H488-C492 VanDerWaalsContact O-SG 3.42Å; R489-C492 PolarHBondContact O-N 2.9Å; C492-R494 PolarHBondContact O-N 3.48Å; C492-D495 WeakPolarHBondContact O-CA 3.3Å; C492-D495 WeakPolarHBondContact O-CB 3.38Å; C492-D495 PolarHBondContact O-N 3.12Å; C492-D496 PolarHBondContact O-N 3.3Å
493	F	84.9	Confident	82.4	Confident	107 Å²	107	51.9 Å²	51.9	47%	0.469	26%	0.264	S	S	.	.	H	α-helix	trans	-59.9	-36.4	-178.6	179.3	-113.5	0	0	0	112.9	D476 R489 L490 D496 I497	D476-F493 VanDerWaalsContact OD1-CA 3.26Å; D476-F493 WeakPolarHBondContact OD1-CA 3.36Å; D476-F493 PolarHBondContact OD1-N 2.84Å; R489-F493 WeakPolarHBondContact O-CB 3.43Å; R489-F493 PolarHBondContact O-N 2.74Å; L490-F493 HydrophobicContact CD1-CD1 4.46Å; F493-D496 PolarHBondContact O-N 3.09Å; F493-I497 HydrophobicContact CD1-CD1 3.87Å; F493-I497 HydrophobicContact CE1-CD1 3.41Å; F493-I497 VanDerWaalsContact CE1-CD1 3.41Å; F493-I497 HydrophobicContact CE1-CG1 4.21Å; F493-I497 HydrophobicContact CZ-CD1 3.86Å; F493-I497 HydrophobicContact CZ-CG1 4.24Å; F493-I497 PolarHBondContact O-N 3.43Å; F493-I497 VanDerWaalsContact O-N 3.08Å
494	R	85.5	Confident	83.5	Confident	23 Å²	23	52.6 Å²	52.6	9%	0.087	27%	0.268	C	S	.	.	H	α-helix	trans	-60.8	-44.1	173	164.3	-142.6	160.8	-151.9	-18.2	111.6	G440 F441 M444 L490 A491 C492 D496 I497 I498	G440-R494 PolarHBondContact O-NH1 3.49Å; G440-R494 PolarHBondContact O-NH2 3.16Å; F441-R494 VanDerWaalsContact CA-NE 3.27Å; F441-R494 VanDerWaalsContact CD2-CD 3.48Å; F441-R494 HydrophobicContact CD2-CG 3.42Å; F441-R494 VanDerWaalsContact CD2-CG 3.42Å; F441-R494 HydrophobicContact CE2-CG 3.72Å; F441-R494 VanDerWaalsContact N-NH1 3.11Å; M444-R494 PolarHBondContact SD-NH2 2.86Å; L490-R494 WeakPolarHBondContact O-CB 3.34Å; L490-R494 PolarHBondContact O-N 2.83Å; A491-R494 WeakPolarHBondContact O-CB 3.17Å; A491-R494 PolarHBondContact O-N 3.18Å; C492-R494 PolarHBondContact O-N 3.48Å; R494-D496 PolarHBondContact O-N 3.4Å; R494-I497 PolarHBondContact O-N 2.82Å; R494-I498 HydrophobicContact CG-CD1 3.88Å; R494-I498 HydrophobicContact CG-CG1 4.48Å; R494-I498 VanDerWaalsContact NE-CD1 3.33Å; R494-I498 WeakPolarHBondContact O-CG1 3.44Å; R494-I498 PolarHBondContact O-N 3.04Å
495	D	84.3	Confident	84.3	Confident	53 Å²	53	52.5 Å²	52.5	28%	0.283	27%	0.267	S	S	.	.	H	α-helix	trans	-63.7	-32.9	-179	-73.4	-9.2	0	0	0	110.7	M444 T472 A491 C492 F499	M444-D495 WeakPolarHBondContact CE-OD1 3.38Å; T472-D495 HydrophobicContact CG2-CB 4.46Å; A491-D495 PolarHBondContact O-N 3.45Å; C492-D495 WeakPolarHBondContact O-CA 3.3Å; C492-D495 WeakPolarHBondContact O-CB 3.38Å; C492-D495 PolarHBondContact O-N 3.12Å; D495-F499 VanDerWaalsContact O-CB 3.24Å; D495-F499 WeakPolarHBondContact O-CB 3.17Å; D495-F499 PolarHBondContact O-N 3.21Å
496	D	87.4	Confident	84.8	Confident	17 Å²	17	54.6 Å²	54.6	9%	0.091	27%	0.272	C	S	.	.	H	α-helix	trans	-66.1	-46.2	170.2	-168.4	50.8	0	0	0	112.7	F473 D476 C492 F493 R494 I498 F499 L500	F473-D496 WeakPolarHBondContact CD1-OD1 3.48Å; F473-D496 WeakPolarHBondContact CE1-OD1 3.3Å; D476-D496 WeakPolarHBondContact OD2-CB 3.25Å; C492-D496 PolarHBondContact O-N 3.3Å; F493-D496 PolarHBondContact O-N 3.09Å; R494-D496 PolarHBondContact O-N 3.4Å; D496-I498 VanDerWaalsContact C-N 3.33Å; D496-I498 PolarHBondContact O-N 3.48Å; D496-F499 CarbonylContact O-C 3.5Å; D496-F499 WeakPolarHBondContact O-CA 3.32Å; D496-F499 WeakPolarHBondContact O-CB 3.41Å; D496-F499 PolarHBondContact O-N 3.38Å; D496-F499 VanDerWaalsContact O-N 3.1Å; D496-L500 WeakPolarHBondContact O-CG 3.32Å; D496-L500 PolarHBondContact O-N 3.01Å
497	I	85.9	Confident	85.2	Confident	79 Å²	79	58.6 Å²	58.6	41%	0.405	27%	0.273	S	S	.	.	H	α-helix	trans	-57.2	-46.7	174.8	-68.5	172.1	0	0	0	111.2	F493 R494 F499 L500 V501	F493-I497 HydrophobicContact CD1-CD1 3.87Å; F493-I497 HydrophobicContact CE1-CD1 3.41Å; F493-I497 VanDerWaalsContact CE1-CD1 3.41Å; F493-I497 HydrophobicContact CE1-CG1 4.21Å; F493-I497 HydrophobicContact CZ-CD1 3.86Å; F493-I497 HydrophobicContact CZ-CG1 4.24Å; F493-I497 PolarHBondContact O-N 3.43Å; F493-I497 VanDerWaalsContact O-N 3.08Å; R494-I497 PolarHBondContact O-N 2.82Å; I497-F499 VanDerWaalsContact C-N 3.27Å; I497-F499 PolarHBondContact O-N 3.16Å; I497-L500 PolarHBondContact O-N 3.1Å; I497-V501 WeakPolarHBondContact O-CG2 3.48Å; I497-V501 PolarHBondContact O-N 3.31Å
498	I	84.1	Confident	85.5	Confident	25 Å²	25	61.9 Å²	61.9	13%	0.128	29%	0.288	C	S	.	.	H	α-helix	trans	-62.6	-40	178.6	-71	173.3	0	0	0	110.2	M444 L448 R494 D496 V501 Y502	M444-I498 HydrophobicContact CB-CD1 3.9Å; M444-I498 HydrophobicContact CB-CG2 4.45Å; M444-I498 HydrophobicContact SD-CD1 3.95Å; M444-I498 HydrophobicContact SD-CG2 4.3Å; L448-I498 HydrophobicContact CD1-CG2 4.08Å; R494-I498 HydrophobicContact CG-CD1 3.88Å; R494-I498 HydrophobicContact CG-CG1 4.48Å; R494-I498 VanDerWaalsContact NE-CD1 3.33Å; R494-I498 WeakPolarHBondContact O-CG1 3.44Å; R494-I498 PolarHBondContact O-N 3.04Å; D496-I498 VanDerWaalsContact C-N 3.33Å; D496-I498 PolarHBondContact O-N 3.48Å; I498-V501 PolarHBondContact O-N 3.13Å; I498-Y502 WeakPolarHBondContact O-CB 3.33Å; I498-Y502 PolarHBondContact O-N 2.97Å
499	F	84.2	Confident	85.8	Confident	8 Å²	8	62.1 Å²	62.1	4%	0.035	29%	0.288	C	S	.	.	H	α-helix	trans	-63.7	-44.4	176.2	-176.1	-109.2	0	0	0	112	F465 A469 T472 F473 D495 D496 I497 V501 Y502 L503	F465-F499 HydrophobicContact CD2-CE2 4.37Å; F465-F499 AromaticContact CE2-CE2 3.86Å; F465-F499 HydrophobicContact CE2-CE2 3.86Å; F465-F499 AromaticContact CE2-CZ 3.87Å; F465-F499 HydrophobicContact CE2-CZ 3.87Å; F465-F499 HydrophobicContact CZ-CZ 4.09Å; A469-F499 HydrophobicContact CB-CE1 3.67Å; A469-F499 HydrophobicContact CB-CE2 4.23Å; A469-F499 HydrophobicContact CB-CZ 3.33Å; T472-F499 HydrophobicContact CG2-CB 4.5Å; F473-F499 HydrophobicContact CE2-CD1 4.31Å; F473-F499 AromaticContact CE2-CE1 3.99Å; F473-F499 HydrophobicContact CE2-CE1 3.99Å; F473-F499 HydrophobicContact CZ-CD1 4.41Å; F473-F499 HydrophobicContact CZ-CE1 4.42Å; D495-F499 VanDerWaalsContact O-CB 3.24Å; D495-F499 WeakPolarHBondContact O-CB 3.17Å; D495-F499 PolarHBondContact O-N 3.21Å; D496-F499 CarbonylContact O-C 3.5Å; D496-F499 WeakPolarHBondContact O-CA 3.32Å; D496-F499 WeakPolarHBondContact O-CB 3.41Å; D496-F499 PolarHBondContact O-N 3.38Å; D496-F499 VanDerWaalsContact O-N 3.1Å; I497-F499 VanDerWaalsContact C-N 3.27Å; I497-F499 PolarHBondContact O-N 3.16Å; F499-V501 PolarHBondContact O-N 2.99Å; F499-Y502 HydrophobicContact CE2-CD1 4.49Å; F499-Y502 CarbonylContact O-C 3.11Å; F499-Y502 WeakPolarHBondContact O-CA 3.05Å; F499-Y502 WeakPolarHBondContact O-CB 3.28Å; F499-Y502 PolarHBondContact O-N 3.13Å; F499-Y502 VanDerWaalsContact O-N 3.13Å; F499-L503 HydrophobicContact CD1-CD1 4.21Å; F499-L503 HydrophobicContact CD1-CG 4.37Å; F499-L503 HydrophobicContact CE1-CD1 3.76Å; F499-L503 HydrophobicContact CE1-CD2 4.14Å; F499-L503 HydrophobicContact CE1-CG 4.01Å; F499-L503 HydrophobicContact CE2-CD2 4.35Å; F499-L503 HydrophobicContact CZ-CD1 4.3Å; F499-L503 HydrophobicContact CZ-CD2 3.81Å; F499-L503 HydrophobicContact CZ-CG 4.14Å; F499-L503 WeakPolarHBondContact O-CG 3.32Å; F499-L503 PolarHBondContact O-N 2.77Å
500	L	87	Confident	85.8	Confident	84 Å²	84	62.6 Å²	62.6	44%	0.44	30%	0.302	S	S	.	.	H	α-helix	trans	-60.3	-42.2	174.4	-69.2	176.3	0	0	0	112.3	F473 D496 I497 Y502 L503 Y504	F473-L500 HydrophobicContact CZ-CD2 4.45Å; D496-L500 WeakPolarHBondContact O-CG 3.32Å; D496-L500 PolarHBondContact O-N 3.01Å; I497-L500 PolarHBondContact O-N 3.1Å; L500-Y502 VanDerWaalsContact C-N 3.33Å; L500-Y502 PolarHBondContact O-N 2.94Å; L500-L503 HydrophobicContact CD2-CD1 4.28Å; L500-L503 WeakPolarHBondContact O-CB 3.39Å; L500-L503 PolarHBondContact O-N 3.2Å; L500-Y504 PolarHBondContact O-N 3.42Å
501	V	86.8	Confident	85.6	Confident	60 Å²	60	60 Å²	60	36%	0.364	29%	0.29	S	S	.	.	H	α-helix	trans	-63.7	-40.6	174.2	176.4	0	0	0	0	110.8	L448 I497 I498 F499 L503 Y504 Q505	L448-V501 HydrophobicContact CD1-CB 4.33Å; L448-V501 HydrophobicContact CD1-CG1 3.99Å; L448-V501 HydrophobicContact CD2-CG1 4.12Å; I497-V501 WeakPolarHBondContact O-CG2 3.48Å; I497-V501 PolarHBondContact O-N 3.31Å; I498-V501 PolarHBondContact O-N 3.13Å; F499-V501 PolarHBondContact O-N 2.99Å; V501-L503 PolarHBondContact O-N 3.37Å; V501-Y504 WeakPolarHBondContact O-CB 3.25Å; V501-Y504 PolarHBondContact O-N 3.29Å; V501-Q505 WeakPolarHBondContact O-CG 3.35Å; V501-Q505 PolarHBondContact O-N 2.98Å
502	Y	84.3	Confident	85.3	Confident	13 Å²	13	61.8 Å²	61.8	5%	0.051	30%	0.298	C	S	.	.	H	α-helix	trans	-62	-40.6	174.1	173.3	-93.9	0	0	0	112.2	V457 F465 I498 F499 L500 Y504 Q505 R506	V457-Y502 HydrophobicContact CG1-CD2 4.47Å; V457-Y502 HydrophobicContact CG1-CE2 3.48Å; V457-Y502 VanDerWaalsContact CG1-CE2 3.48Å; V457-Y502 WeakPolarHBondContact CG1-OH 3.4Å; F465-Y502 HydrophobicContact CD2-CE1 4.12Å; F465-Y502 HydrophobicContact CE2-CD1 4.38Å; F465-Y502 AromaticContact CE2-CE1 3.88Å; F465-Y502 HydrophobicContact CE2-CE1 3.88Å; I498-Y502 WeakPolarHBondContact O-CB 3.33Å; I498-Y502 PolarHBondContact O-N 2.97Å; F499-Y502 HydrophobicContact CE2-CD1 4.49Å; F499-Y502 CarbonylContact O-C 3.11Å; F499-Y502 WeakPolarHBondContact O-CA 3.05Å; F499-Y502 WeakPolarHBondContact O-CB 3.28Å; F499-Y502 PolarHBondContact O-N 3.13Å; F499-Y502 VanDerWaalsContact O-N 3.13Å; L500-Y502 VanDerWaalsContact C-N 3.33Å; L500-Y502 PolarHBondContact O-N 2.94Å; Y502-Y504 VanDerWaalsContact C-N 3.34Å; Y502-Q505 PolarHBondContact O-N 3.46Å; Y502-R506 WeakPolarHBondContact O-CB 3.48Å; Y502-R506 PolarHBondContact O-N 3.46Å
503	L	86.7	Confident	84.8	Confident	59 Å²	59	64.9 Å²	64.9	31%	0.309	31%	0.31	S	S	.	.	H	α-helix	trans	-60.4	-44.8	173.9	-67.2	-177.5	0	0	0	111.5	F465 F499 L500 V501 R506 W507	F465-L503 HydrophobicContact CE2-CD2 3.64Å; F465-L503 HydrophobicContact CZ-CD2 3.35Å; F499-L503 HydrophobicContact CD1-CD1 4.21Å; F499-L503 HydrophobicContact CD1-CG 4.37Å; F499-L503 HydrophobicContact CE1-CD1 3.76Å; F499-L503 HydrophobicContact CE1-CD2 4.14Å; F499-L503 HydrophobicContact CE1-CG 4.01Å; F499-L503 HydrophobicContact CE2-CD2 4.35Å; F499-L503 HydrophobicContact CZ-CD1 4.3Å; F499-L503 HydrophobicContact CZ-CD2 3.81Å; F499-L503 HydrophobicContact CZ-CG 4.14Å; F499-L503 WeakPolarHBondContact O-CG 3.32Å; F499-L503 PolarHBondContact O-N 2.77Å; L500-L503 HydrophobicContact CD2-CD1 4.28Å; L500-L503 WeakPolarHBondContact O-CB 3.39Å; L500-L503 PolarHBondContact O-N 3.2Å; V501-L503 PolarHBondContact O-N 3.37Å; L503-R506 PolarHBondContact O-N 3.35Å; L503-W507 PolarHBondContact O-N 3.01Å
504	Y	88.9	Confident	84.1	Confident	141 Å²	141	63.4 Å²	63.4	55%	0.553	31%	0.312	S	S	*	.	H	α-helix	trans	-61	-45	176.2	-179.6	-103	0	0	0	111.7	L500 V501 Y502 R506 W507 L508	L500-Y504 PolarHBondContact O-N 3.42Å; V501-Y504 WeakPolarHBondContact O-CB 3.25Å; V501-Y504 PolarHBondContact O-N 3.29Å; Y502-Y504 VanDerWaalsContact C-N 3.34Å; Y504-R506 PolarHBondContact O-N 3.5Å; Y504-W507 HydrophobicContact CD2-CE3 4.42Å; Y504-W507 HydrophobicContact CE2-CE3 4.21Å; Y504-W507 HydrophobicContact CE2-CZ3 4.24Å; Y504-W507 PolarHBondContact O-N 3.26Å; Y504-L508 HydrophobicContact CE1-CD2 4.48Å; Y504-L508 PolarHBondContact O-N 3.39Å
505	Q	88.1	Confident	83.3	Confident	14 Å²	14	64.2 Å²	64.2	7%	0.065	32%	0.316	C	S	.	.	H	α-helix	trans	-61.9	-40.5	174.8	-73.6	-173.4	-17.9	0	0	112.6	L448 N451 V457 V501 Y502 W507 L508 Y509	L448-Q505 PolarHBondContact O-NE2 2.95Å; N451-Q505 PolarHBondContact ND2-OE1 3.46Å; V457-Q505 HydrophobicContact CG2-CB 4.27Å; V501-Q505 WeakPolarHBondContact O-CG 3.35Å; V501-Q505 PolarHBondContact O-N 2.98Å; Y502-Q505 PolarHBondContact O-N 3.46Å; Q505-W507 VanDerWaalsContact C-N 3.29Å; Q505-W507 PolarHBondContact O-N 3.14Å; Q505-L508 PolarHBondContact O-N 3.34Å; Q505-Y509 HydrophobicContact CB-CD2 4.06Å; Q505-Y509 HydrophobicContact CB-CE2 4.32Å; Q505-Y509 HydrophobicContact CG-CD2 4.42Å; Q505-Y509 HydrophobicContact CG-CE2 4.19Å; Q505-Y509 WeakPolarHBondContact O-CB 3.47Å; Q505-Y509 WeakPolarHBondContact O-CD2 3.35Å; Q505-Y509 PolarHBondContact O-N 3.24Å
506	R	85.3	Confident	82.4	Confident	69 Å²	69	65.4 Å²	65.4	26%	0.26	33%	0.325	S	S	.	.	H	α-helix	trans	-68	-29.5	177.7	-177.4	177.9	171.9	-169.6	-3.7	112.4	V457 F465 Y502 L503 Y504 V511	V457-R506 HydrophobicContact CG1-CB 4.5Å; V457-R506 HydrophobicContact CG2-CB 4.49Å; F465-R506 VanDerWaalsContact CD1-NH1 3.33Å; F465-R506 VanDerWaalsContact CD2-NH1 3.3Å; F465-R506 VanDerWaalsContact CE1-NH1 3.26Å; F465-R506 VanDerWaalsContact CG-NH1 3.33Å; Y502-R506 WeakPolarHBondContact O-CB 3.48Å; Y502-R506 PolarHBondContact O-N 3.46Å; L503-R506 PolarHBondContact O-N 3.35Å; Y504-R506 PolarHBondContact O-N 3.5Å; R506-V511 HydrophobicContact CG-CG2 4.24Å
507	W	87.2	Confident	81.4	Confident	204 Å²	204	65.1 Å²	65.1	77%	0.773	32%	0.323	S	S	*	.	H	α-helix	trans	-72.6	-38.9	172.6	177.3	76.7	0	0	0	111.9	L503 Y504 Q505	L503-W507 PolarHBondContact O-N 3.01Å; Y504-W507 HydrophobicContact CD2-CE3 4.42Å; Y504-W507 HydrophobicContact CE2-CE3 4.21Å; Y504-W507 HydrophobicContact CE2-CZ3 4.24Å; Y504-W507 PolarHBondContact O-N 3.26Å; Q505-W507 VanDerWaalsContact C-N 3.29Å; Q505-W507 PolarHBondContact O-N 3.14Å
508	L	89.4	Confident	80.3	Confident	89 Å²	89	65 Å²	65	47%	0.466	32%	0.321	S	S	.	.	H	α-helix	trans	-80.7	-37	-177.7	-171.6	65.6	0	0	0	114	Y504 Q505	Y504-L508 HydrophobicContact CE1-CD2 4.48Å; Y504-L508 PolarHBondContact O-N 3.39Å; Q505-L508 PolarHBondContact O-N 3.34Å
509	Y	87.4	Confident	79.1	Confident	29 Å²	29	67.8 Å²	67.8	11%	0.114	33%	0.332	C	S	.	.	S	Bend	trans	-109.8	143.2	-172.4	-59.1	-49.7	0	0	0	112.6	Y452 K455 Q505	Y452-Y509 WeakPolarHBondContact CD2-OH 3.29Å; K455-Y509 HydrophobicContact CB-CD1 3.73Å; K455-Y509 HydrophobicContact CB-CE1 3.85Å; K455-Y509 HydrophobicContact CG-CD1 4.25Å; K455-Y509 HydrophobicContact CG-CE1 3.84Å; K455-Y509 WeakPolarHBondContact O-CB 3.49Å; Q505-Y509 HydrophobicContact CB-CD2 4.06Å; Q505-Y509 HydrophobicContact CB-CE2 4.32Å; Q505-Y509 HydrophobicContact CG-CD2 4.42Å; Q505-Y509 HydrophobicContact CG-CE2 4.19Å; Q505-Y509 WeakPolarHBondContact O-CB 3.47Å; Q505-Y509 WeakPolarHBondContact O-CD2 3.35Å; Q505-Y509 PolarHBondContact O-N 3.24Å
510	P	84.1	Confident	78	Confident	94 Å²	94	68.5 Å²	68.5	61%	0.61	34%	0.342	S	S	*	.			trans	-62.5	147.2	175.1	26.4	-35.2	0	0	0	112.3	K455 S456 V457 D512	K455-P510 WeakPolarHBondContact O-CD 3.47Å; S456-P510 WeakPolarHBondContact CA-O 3.34Å; V457-P510 PolarHBondContact N-O 3.38Å; P510-D512 PolarHBondContact O-N 3.28Å
511	V	80.4	Confident	76.7	Confident	60 Å²	60	66 Å²	66	36%	0.364	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	112.2	177	-179.2	0	0	0	0	109.7	V457 H459 R506	V457-V511 CarbonylContact O-C 3.55Å; V457-V511 VanDerWaalsContact O-CA 3.32Å; V457-V511 WeakPolarHBondContact O-CA 3.45Å; H459-V511 HydrophobicContact CB-CG1 3.71Å; R506-V511 HydrophobicContact CG-CG2 4.24Å
512	D	77.2	Confident	75.6	Confident	53 Å²	53	64.1 Å²	64.1	28%	0.283	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	115.1	177	-173.2	-4	0	0	0	110.2	V457 H459 P510 S514 R515	V457-D512 PolarHBondContact O-N 3.13Å; H459-D512 PolarHBondContact N-O 3.11Å; P510-D512 PolarHBondContact O-N 3.28Å; D512-S514 WeakPolarHBondContact OD1-CB 3.43Å; D512-S514 PolarHBondContact OD1-N 2.95Å; D512-S514 PolarHBondContact OD1-OG 2.84Å; D512-S514 PolarHBondContact OD2-OG 3.09Å; D512-R515 HydrophobicContact CB-CB 4.25Å
513	K	72.7	Confident	74.8	Confident	82 Å²	82	65.1 Å²	65.1	36%	0.357	32%	0.324	S	S	.	.	S	Bend	trans	-72.4	-32.1	177.9	-70	-178.4	-176.6	175.6	0	112	H459 R515 Y523 P525	H459-K513 HydrophobicContact CB-CB 4.44Å; H459-K513 HydrophobicContact CB-CG 4.11Å; K513-R515 VanDerWaalsContact C-N 3.26Å; K513-R515 PolarHBondContact O-N 2.61Å; K513-Y523 CarbonylContact C-O 3.56Å; K513-Y523 CarbonylContact O-C 3.47Å; K513-Y523 WeakPolarHBondContact O-CA 3.42Å; K513-Y523 PolarHBondContact O-N 3.08Å; K513-P525 PolarHBondContact NZ-O 3.27Å
514	S	69.2	Low	73.7	Confident	75 Å²	75	65.3 Å²	65.3	52%	0.524	32%	0.323	S	S	.	.	S	Bend	trans	-73.2	-21	-175.1	72.1	0	0	0	0	113	D512 S522 Y523	D512-S514 WeakPolarHBondContact OD1-CB 3.43Å; D512-S514 PolarHBondContact OD1-N 2.95Å; D512-S514 PolarHBondContact OD1-OG 2.84Å; D512-S514 PolarHBondContact OD2-OG 3.09Å; S514-S522 WeakPolarHBondContact O-CB 3.49Å; S514-Y523 PolarHBondContact N-O 3.17Å
515	R	68.5	Low	72.5	Confident	40 Å²	40	63.8 Å²	63.8	15%	0.151	33%	0.33	C	S	.	.	S	Bend	trans	-76.6	135.2	-178.7	-171.9	172.1	166.1	-149.8	-12.9	111.6	N451 S456 A458 D512 K513 N517	N451-R515 VanDerWaalsContact OD1-CZ 3.28Å; N451-R515 PolarHBondContact OD1-NH1 3.38Å; N451-R515 PolarHBondContact OD1-NH2 3.45Å; S456-R515 PolarHBondContact O-NH1 3.38Å; A458-R515 HydrophobicContact CB-CB 4.15Å; A458-R515 HydrophobicContact CB-CG 3.99Å; D512-R515 HydrophobicContact CB-CB 4.25Å; K513-R515 VanDerWaalsContact C-N 3.26Å; K513-R515 PolarHBondContact O-N 2.61Å; R515-N517 PolarHBondContact O-N 3.36Å
516	V	64.9	Low	71.2	Confident	79 Å²	79	69.3 Å²	69.3	48%	0.479	36%	0.36	S	S	.	.			trans	-64.3	121.5	174.4	-176.5	0	0	0	0	109.2
517	N	67.4	Low	70.1	Confident	11 Å²	11	68 Å²	68	6%	0.059	37%	0.367	C	S	.	.			trans	-78	174.9	174.8	65.4	21.5	0	0	0	111.9	A458 H459 R515 F519 G520 V521	A458-N517 HydrophobicContact CB-CB 4.09Å; H459-N517 PolarHBondContact O-ND2 2.72Å; H459-N517 VanDerWaalsContact O-ND2 3.16Å; R515-N517 PolarHBondContact O-N 3.36Å; N517-F519 PolarHBondContact O-N 3.37Å; N517-F519 WeakPolarHBondContact OD1-CB 3.25Å; N517-F519 PolarHBondContact OD1-N 2.67Å; N517-F519 VanDerWaalsContact OD1-N 3.13Å; N517-G520 PolarHBondContact O-N 3.32Å; N517-G520 PolarHBondContact OD1-N 2.89Å; N517-V521 PolarHBondContact N-O 2.75Å; N517-V521 PolarHBondContact ND2-O 3.04Å; N517-V521 PolarHBondContact OD1-N 3.49Å; N517-V521 PolarHBondContact OD1-O 2.84Å
518	E	62.7	Low	68.8	Low	77 Å²	77	66.9 Å²	66.9	36%	0.36	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-23.6	178.3	-65.9	172.6	-149.4	0	0	114.4	Q447 K468 G520	Q447-E518 VanDerWaalsContact CD-CG 3.41Å; Q447-E518 PolarHBondContact NE2-OE1 3.17Å; Q447-E518 VanDerWaalsContact OE1-CD 3.23Å; Q447-E518 PolarHBondContact OE1-OE1 2.82Å; K468-E518 IonicContact NZ-OE1 3.99Å; K468-E518 PolarHBondContact NZ-OE1 3.31Å; K468-E518 IonicContact NZ-OE2 3.85Å; K468-E518 PolarHBondContact NZ-OE2 2.67Å; E518-G520 VanDerWaalsContact C-N 3.34Å
519	F	59	Low	67.5	Low	82 Å²	82	66 Å²	66	36%	0.36	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	3.1	-180	-55.6	-76	0	0	0	112.7	F307 M460 T464 N517	F307-F519 WeakPolarHBondContact CZ-O 3.11Å; M460-F519 HydrophobicContact CE-CE2 4Å; M460-F519 HydrophobicContact CG-CE2 4.47Å; M460-F519 HydrophobicContact SD-CE2 4.22Å; T464-F519 HydrophobicContact CG2-CD2 4.25Å; T464-F519 HydrophobicContact CG2-CE2 3.46Å; T464-F519 VanDerWaalsContact CG2-CE2 3.46Å; T464-F519 HydrophobicContact CG2-CZ 3.64Å; N517-F519 PolarHBondContact O-N 3.37Å; N517-F519 WeakPolarHBondContact OD1-CB 3.25Å; N517-F519 PolarHBondContact OD1-N 2.67Å; N517-F519 VanDerWaalsContact OD1-N 3.13Å
520	G	60.4	Low	66	Low	23 Å²	23	67.2 Å²	67.2	24%	0.237	37%	0.371	C	S	.	.	S	Bend	trans	76.4	27.7	-179.5	0	0	0	0	0	113.7	N517 E518	N517-G520 PolarHBondContact O-N 3.32Å; N517-G520 PolarHBondContact OD1-N 2.89Å; E518-G520 VanDerWaalsContact C-N 3.34Å
521	V	60.5	Low	64.6	Low	32 Å²	32	68.1 Å²	68.1	19%	0.194	37%	0.371	C	S	.	.			trans	-119.5	131.4	-179.4	-173.1	0	0	0	0	110.5	F307 N517 Y523 P529	F307-V521 HydrophobicContact CE2-CG2 4.14Å; N517-V521 PolarHBondContact N-O 2.75Å; N517-V521 PolarHBondContact ND2-O 3.04Å; N517-V521 PolarHBondContact OD1-N 3.49Å; N517-V521 PolarHBondContact OD1-O 2.84Å; V521-Y523 HydrophobicContact CG1-CE2 3.97Å; V521-P529 HydrophobicContact CG1-CB 4.15Å
522	S	63.9	Low	63.1	Low	20 Å²	20	69.1 Å²	69.1	14%	0.14	38%	0.379	C	S	.	.			trans	-111.9	158.6	165.8	57.1	0	0	0	0	110.4	S514 P529 N530	S514-S522 WeakPolarHBondContact O-CB 3.49Å; S522-P529 WeakPolarHBondContact O-CA 3.35Å; S522-N530 PolarHBondContact O-N 3.45Å; S522-N530 WeakPolarHBondContact OG-CB 3.37Å; S522-N530 PolarHBondContact OG-ND2 3.08Å
523	Y	66.1	Low	61.3	Low	35 Å²	35	75.7 Å²	75.7	14%	0.137	41%	0.405	C	S	.	.	B	Isolated β-bridge	trans	-119.5	137.4	-179.7	-68.5	-90.6	0	0	0	110.1	H459 P461 K513 S514 V521 G527 R528 P529	H459-Y523 HydrophobicContact CB-CD2 4.3Å; H459-Y523 AromaticContact ND1-CD2 3.25Å; H459-Y523 WeakPolarHBondContact ND1-CD2 3.3Å; H459-Y523 AromaticContact ND1-CE2 3.49Å; H459-Y523 WeakPolarHBondContact ND1-CE2 2.8Å; H459-Y523 AromaticContact ND1-CG 3.76Å; P461-Y523 HydrophobicContact CG-CE2 4.2Å; P461-Y523 WeakPolarHBondContact CG-OH 3.43Å; K513-Y523 CarbonylContact C-O 3.56Å; K513-Y523 CarbonylContact O-C 3.47Å; K513-Y523 WeakPolarHBondContact O-CA 3.42Å; K513-Y523 PolarHBondContact O-N 3.08Å; S514-Y523 PolarHBondContact N-O 3.17Å; V521-Y523 HydrophobicContact CG1-CE2 3.97Å; Y523-G527 WeakPolarHBondContact CD1-O 3.5Å; Y523-R528 CarbonylContact C-O 3.57Å; Y523-R528 WeakPolarHBondContact CA-O 3.48Å; Y523-P529 HydrophobicContact CD1-CB 4.42Å; Y523-P529 HydrophobicContact CE1-CB 4.15Å
524	E	65.2	Low	59.6	Low	63 Å²	63	76.1 Å²	76.1	29%	0.294	42%	0.415	S	S	.	.			trans	-63.4	159.3	165.5	-66.8	-172.9	163.4	0	0	110.1	N526 G527 R528 N530	E524-N526 PolarHBondContact O-N 3Å; E524-G527 PolarHBondContact O-N 3.19Å; E524-R528 PolarHBondContact N-O 2.84Å; E524-N530 WeakPolarHBondContact CG-OD1 2.95Å
525	P	63.9	Low	58	Low	108 Å²	108	83.7 Å²	83.7	70%	0.701	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	-33.3	173.4	-27	34.3	0	0	0	112.9	K513 G527	K513-P525 PolarHBondContact NZ-O 3.27Å; P525-G527 PolarHBondContact O-N 2.85Å
526	N	59.5	Low	56.4	Low	131 Å²	131	91 Å²	91	70%	0.701	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	1.5	178.5	-61	-12	0	0	0	114.4	E524 R528	E524-N526 PolarHBondContact O-N 3Å; N526-R528 VanDerWaalsContact C-N 3.26Å; N526-R528 PolarHBondContact O-N 3.33Å
527	G	62.5	Low	54.9	Low	40 Å²	40	96.2 Å²	96.2	41%	0.412	48%	0.481	S	S	.	.	S	Bend	trans	76.7	5.5	177.4	0	0	0	0	0	115	Y523 E524 P525	Y523-G527 WeakPolarHBondContact CD1-O 3.5Å; E524-G527 PolarHBondContact O-N 3.19Å; P525-G527 PolarHBondContact O-N 2.85Å
528	R	59.8	Low	53.4	Low	182 Å²	182	101.3 Å²	101.3	69%	0.687	52%	0.515	S	S	*	.			trans	-82.6	138.9	172.1	-64.6	-174.3	-176	-177.1	2	109.7	Y523 E524 N526 N530	Y523-R528 CarbonylContact C-O 3.57Å; Y523-R528 WeakPolarHBondContact CA-O 3.48Å; E524-R528 PolarHBondContact N-O 2.84Å; N526-R528 VanDerWaalsContact C-N 3.26Å; N526-R528 PolarHBondContact O-N 3.33Å; R528-N530 PolarHBondContact O-N 3.48Å
529	P	61.5	Low	52.2	Low	70 Å²	70	105.9 Å²	105.9	46%	0.455	54%	0.54	S	S	.	.	B	Isolated β-bridge	trans	-62.3	135.8	172.9	26	-31.4	0	0	0	109.4	V521 S522 Y523 D531	V521-P529 HydrophobicContact CG1-CB 4.15Å; S522-P529 WeakPolarHBondContact O-CA 3.35Å; Y523-P529 HydrophobicContact CD1-CB 4.42Å; Y523-P529 HydrophobicContact CE1-CB 4.15Å; P529-D531 PolarHBondContact O-N 3.32Å
530	N	57.7	Low	51.2	Low	54 Å²	54	111.4 Å²	111.4	29%	0.289	56%	0.564	S	S	.	*			trans	-67.4	99.5	171.3	-88.5	-32.4	0	0	0	108.6	S522 E524 R528	S522-N530 PolarHBondContact O-N 3.45Å; S522-N530 WeakPolarHBondContact OG-CB 3.37Å; S522-N530 PolarHBondContact OG-ND2 3.08Å; E524-N530 WeakPolarHBondContact CG-OD1 2.95Å; R528-N530 PolarHBondContact O-N 3.48Å
531	D	54	Low	50.1	Low	113 Å²	113	115.5 Å²	115.5	60%	0.604	59%	0.589	S	S	*	*			trans	-72.2	134.2	163.4	-80.5	-22.8	0	0	0	108.4	P529 K533 T534	P529-D531 PolarHBondContact O-N 3.32Å; D531-K533 PolarHBondContact O-N 2.77Å; D531-T534 PolarHBondContact O-OG1 3.02Å
532	P	48.3	Very low	48.7	Very low	82 Å²	82	126.5 Å²	126.5	53%	0.532	64%	0.639	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.1	7.9	-179.2	21.9	-30.4	0	0	0	115	D313	D313-P532 HydrophobicContact CB-CG 4.49Å
533	K	39.6	Very low	47.9	Very low	190 Å²	190	131.8 Å²	131.8	83%	0.826	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-9	-177.7	-71.4	-175.2	177.9	178.4	0	115.1	D531	D531-K533 PolarHBondContact O-N 2.77Å
534	T	36.3	Very low	47	Very low	92 Å²	92	136.9 Å²	136.9	56%	0.564	69%	0.691	S	S	*	*			trans	-90.5	-4	-173.2	31.9	0	0	0	0	116.2	D531 K536	D531-T534 PolarHBondContact O-OG1 3.02Å; T534-K536 PolarHBondContact O-N 3.19Å
535	W	36.2	Very low	46	Very low	233 Å²	233	141 Å²	141	88%	0.883	71%	0.713	S	S	*	*			trans	-80.8	12.7	-179.6	-71.1	84.9	0	0	0	115.5
536	K	34.9	Very low	44.9	Very low	194 Å²	194	142.9 Å²	142.9	84%	0.843	71%	0.714	S	S	*	*			trans	-105.2	42.4	176	-73.6	-167.4	177.4	-174.3	0	114.1	T534	T534-K536 PolarHBondContact O-N 3.19Å
537	K	32.6	Very low	44	Very low	189 Å²	189	143.7 Å²	143.7	82%	0.822	72%	0.715	S	S	*	*			trans	-111.2	104.8	157.3	-81	-172.8	177.9	-178.9	0	108.4	L539	K537-L539 PolarHBondContact O-N 3.37Å
538	P	36.1	Very low	42.8	Very low	118 Å²	118	150.6 Å²	150.6	77%	0.766	74%	0.735	S	S	*	*			trans	-61	132.5	167.6	26	-29.7	0	0	0	107.9	K540	P538-K540 PolarHBondContact O-N 3.09Å; P538-K540 VanDerWaalsContact O-N 3.09Å
539	L	38.5	Very low	41.5	Very low	172 Å²	172	148.4 Å²	148.4	90%	0.901	74%	0.738	S	S	*	*			trans	-49.3	115.8	163.9	-77.9	148.5	0	0	0	107.3	K537 S541	K537-L539 PolarHBondContact O-N 3.37Å; L539-S541 PolarHBondContact O-N 3.09Å; L539-S541 VanDerWaalsContact O-N 3.09Å
540	K	38.2	Very low	40	Very low	199 Å²	199	154.4 Å²	154.4	87%	0.865	76%	0.76	S	S	*	*			trans	-61.7	109.8	160.1	-85.9	-175.6	170.6	-170.8	0	106.3	P538	P538-K540 PolarHBondContact O-N 3.09Å; P538-K540 VanDerWaalsContact O-N 3.09Å
541	S	36.8	Very low	38.5	Very low	109 Å²	109	162.8 Å²	162.8	76%	0.762	80%	0.799	S	S	*	*			trans	-66.6	119	153.2	50.8	0	0	0	0	107.4	L539	L539-S541 PolarHBondContact O-N 3.09Å; L539-S541 VanDerWaalsContact O-N 3.09Å
542	E	30.7	Very low	37.1	Very low	262 Å²	262	167.3 Å²	167.3	100%	1.224	82%	0.817	S	S	*	*			trans	63.1	0	170.7	-64.6	179.8	158	0	0	118.8

Retrieved 542 of 542 residues in 171.7 ms (Link to these results)

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