PTHD1_HUMAN Loading...

Patched domain-containing protein 1

Required for the development and function of the thalamic reticular nucleus (TRN), a part of the thalamus that is critical for thalamocortical transmission, generation of sleep rhythms, sensorimotor processing and attention. Can bind cholesterol in vitro¹.

AlphaFold DB , UniProt , Accession Q96NR3, Species HUMAN (Homo sapiens, Human), Gene PTCHD1, Length 888 aa.

						>PTHD1_HUMAN|Q96NR3|PTCHD1
MLRQVLHRGLRTCFSRLGHFIASHPVFFASAPVLISILLGASFSRYQVEESVEHLLAPQHSLAKIERNLVNSLFPVNRSKHRLYSDLQTPGRYGRVIVTSFQKANMLDQHHTDLILKLHAAVTKIQVPRPGFNYTFAHICILNNDKTCIVDDIVHVLEELKNARATNRTNFAITYPITHLKDGRAVYNGHQLGGVTVHSKDRVKSAEAIQLTYYLQSINSLNDMVAERWESSFCDTVRLFQKSNSKVKMYPYTSSSLREDFQKTSRVSERYLVTSLILVVTMAILCCSMQDCVRSKPWLGLLGLVTISLATLTAAGIINLTGGKYNSTFLGVPFVMLGHGLYGTFEMLSSWRKTREDQHVKERTAAVYADSMLSFSLTTAMYLVTFGIGASPFTNIEAARIFCCNSCIAIFFNYLYVLSFYGSSLVFTGYIENNYQHSIFCRKVPKPEALQEKPAWYRFLLTARFSEDTAEGEEANTYESHLLVCFLKRYYCDWITNTYVKPFVVLFYLIYISFALMGYLQVSEGSDLSNIVATATQTIEYTTAQQKYFSNYSPVIGFYIYESIEYWNTSVQEDVLEYTKGFVRISWFESYLNYLRKLNVSTGLPKKNFTDMLRNSFLKAPQFSHFQEDIIFSKKYNDEVDVVASRMFLVAKTMETNREELYDLLETLRRLSVTSKVKFIVFNPSFVYMDRYASSLGAPLHNSCISALFLLFFSAFLVADSLINVWITLTVVSVEFGVIGFMTLWKVELDCISVLCLIYGINYTIDNCAPMLSTFVLGKDFTRTKWVKNALEVHGVAILQSYLCYIVGLIPLAAVPSNLTCTLFRCLFLIAFVTFFHCFAILPVILTFLPPSKKKRKEKKNPENREEIECVEMVDIDSTRVVDQITTV
					

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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	66.4	Low	78.9	Confident	195 Å²	195	107.5 Å²	107.5	96%	0.961	52%	0.518	S	S	*	.				0	-54.7	0	-70.2	-153.5	-176.4	0	0	112.3	R3 Q4 V5	M1-R3 PolarHBondContact O-N 3.14Å; M1-Q4 WeakPolarHBondContact O-CB 3.27Å; M1-Q4 PolarHBondContact O-N 2.86Å; M1-V5 PolarHBondContact O-N 3.03Å; M1-V5 VanDerWaalsContact O-N 3.08Å
2	L	70	Confident	80.1	Confident	145 Å²	145	103.7 Å²	103.7	76%	0.759	51%	0.507	S	S	*	.	H	α-helix	trans	-49	-48	-178.4	-171.7	66.9	0	0	0	114.3	Q4 V5 L6	L2-Q4 VanDerWaalsContact C-N 3.34Å; L2-Q4 PolarHBondContact O-N 3.29Å; L2-V5 PolarHBondContact O-N 3.36Å; L2-V5 VanDerWaalsContact O-N 3.16Å; L2-L6 PolarHBondContact O-N 3.49Å
3	R	70	Confident	81.3	Confident	91 Å²	91	101.5 Å²	101.5	34%	0.343	51%	0.507	S	S	.	.	H	α-helix	trans	-58.1	-42	177.4	-58.6	-168.8	-170.8	162.8	10.9	113.6	M1 L6 H7 A715 F716 A719	M1-R3 PolarHBondContact O-N 3.14Å; R3-L6 PolarHBondContact O-N 2.87Å; R3-H7 VanDerWaalsContact O-CB 3.25Å; R3-H7 WeakPolarHBondContact O-CB 3.48Å; R3-H7 PolarHBondContact O-N 2.99Å; R3-A715 PolarHBondContact NH1-O 3.48Å; R3-A715 PolarHBondContact NH2-O 3.31Å; R3-F716 PolarHBondContact NE-O 3.32Å; R3-F716 PolarHBondContact NH2-O 3.46Å; R3-A719 PolarHBondContact NH1-O 3.47Å
4	Q	73.9	Confident	82.3	Confident	126 Å²	126	95.9 Å²	95.9	59%	0.589	48%	0.478	S	S	*	.	H	α-helix	trans	-67.9	-37.8	178.4	-71	174.8	-23	0	0	111.4	M1 L2 R8	M1-Q4 WeakPolarHBondContact O-CB 3.27Å; M1-Q4 PolarHBondContact O-N 2.86Å; L2-Q4 VanDerWaalsContact C-N 3.34Å; L2-Q4 PolarHBondContact O-N 3.29Å; Q4-R8 WeakPolarHBondContact O-CB 3.32Å; Q4-R8 PolarHBondContact O-N 3.49Å
5	V	79.4	Confident	83.3	Confident	98 Å²	98	92.2 Å²	92.2	59%	0.594	47%	0.465	S	S	*	.	H	α-helix	trans	-65.1	-46.6	175	175.8	0	0	0	0	110.4	M1 L2 R8 G9	M1-V5 PolarHBondContact O-N 3.03Å; M1-V5 VanDerWaalsContact O-N 3.08Å; L2-V5 PolarHBondContact O-N 3.36Å; L2-V5 VanDerWaalsContact O-N 3.16Å; V5-R8 PolarHBondContact O-N 3.46Å; V5-G9 PolarHBondContact O-N 2.98Å
6	L	79	Confident	84.2	Confident	75 Å²	75	97.9 Å²	97.9	39%	0.393	48%	0.48	S	S	.	.	H	α-helix	trans	-61.1	-49.7	177.2	-175.9	69.1	0	0	0	111.4	L2 R3 R8 G9 L10 V718	L2-L6 PolarHBondContact O-N 3.49Å; R3-L6 PolarHBondContact O-N 2.87Å; L6-R8 PolarHBondContact O-N 2.87Å; L6-G9 PolarHBondContact O-N 3.08Å; L6-L10 HydrophobicContact CD1-CD1 4.46Å; L6-L10 HydrophobicContact CG-CD1 4.14Å; L6-L10 WeakPolarHBondContact O-CB 3.41Å; L6-L10 WeakPolarHBondContact O-CG 3.27Å; L6-L10 PolarHBondContact O-N 3.15Å; L6-V718 HydrophobicContact CD2-CG2 3.94Å
7	H	79.8	Confident	84.9	Confident	59 Å²	59	95.1 Å²	95.1	27%	0.273	47%	0.467	S	S	.	.	H	α-helix	trans	-60.2	-44.9	178.3	-172.3	-85	0	0	0	111.6	R3 R11 L373	R3-H7 VanDerWaalsContact O-CB 3.25Å; R3-H7 WeakPolarHBondContact O-CB 3.48Å; R3-H7 PolarHBondContact O-N 2.99Å; H7-R11 VanDerWaalsContact CE1-CD 3.46Å; H7-R11 WeakPolarHBondContact CE1-CD 3.24Å; H7-R11 VanDerWaalsContact O-CG 3.31Å; H7-R11 WeakPolarHBondContact O-CG 3.33Å; H7-R11 PolarHBondContact O-N 3.45Å; H7-L373 VanDerWaalsContact CD2-CD2 3.44Å; H7-L373 WeakPolarHBondContact CD2-CD2 3.39Å; H7-L373 VanDerWaalsContact NE2-CD2 3.31Å; H7-L373 WeakPolarHBondContact NE2-CD2 3.48Å
8	R	84	Confident	85.6	Confident	194 Å²	194	89.8 Å²	89.8	73%	0.732	44%	0.441	S	S	*	.	H	α-helix	trans	-64	-42.9	176.1	-168	175.9	-173.3	174.2	1.9	111.5	Q4 V5 L6 R11 T12	Q4-R8 WeakPolarHBondContact O-CB 3.32Å; Q4-R8 PolarHBondContact O-N 3.49Å; V5-R8 PolarHBondContact O-N 3.46Å; L6-R8 PolarHBondContact O-N 2.87Å; R8-R11 PolarHBondContact O-N 3.12Å; R8-T12 PolarHBondContact O-N 3.32Å; R8-T12 PolarHBondContact O-OG1 3.39Å
9	G	88	Confident	86.2	Confident	34 Å²	34	89.6 Å²	89.6	35%	0.351	44%	0.438	S	S	.	.	H	α-helix	trans	-60.4	-48	176.9	0	0	0	0	0	112.5	V5 L6 T12 C13	V5-G9 PolarHBondContact O-N 2.98Å; L6-G9 PolarHBondContact O-N 3.08Å; G9-T12 PolarHBondContact O-N 3.04Å; G9-C13 PolarHBondContact O-N 3.46Å; G9-C13 PolarHBondContact O-SG 2.87Å
10	L	87.5	Confident	86.8	Confident	59 Å²	59	90.4 Å²	90.4	31%	0.309	44%	0.44	S	S	.	.	H	α-helix	trans	-62.1	-44.7	176.6	-71.2	172.1	0	0	0	111.8	L6 T12 C13 F14 L373	L6-L10 HydrophobicContact CD1-CD1 4.46Å; L6-L10 HydrophobicContact CG-CD1 4.14Å; L6-L10 WeakPolarHBondContact O-CB 3.41Å; L6-L10 WeakPolarHBondContact O-CG 3.27Å; L6-L10 PolarHBondContact O-N 3.15Å; L10-T12 VanDerWaalsContact C-N 3.32Å; L10-T12 PolarHBondContact O-N 2.83Å; L10-C13 WeakPolarHBondContact O-CB 3.45Å; L10-C13 PolarHBondContact O-N 3Å; L10-C13 VanDerWaalsContact O-N 3.13Å; L10-F14 VanDerWaalsContact O-CD2 3.22Å; L10-F14 WeakPolarHBondContact O-CD2 3.35Å; L10-F14 PolarHBondContact O-N 2.92Å; L10-L373 HydrophobicContact CB-CD1 3.93Å; L10-L373 HydrophobicContact CD1-CD1 3.76Å; L10-L373 HydrophobicContact CG-CD1 4.45Å
11	R	89.8	Confident	87.2	Confident	106 Å²	106	86.1 Å²	86.1	40%	0.4	42%	0.419	S	S	.	.	H	α-helix	trans	-59.8	-41.4	175.1	-71.9	-173.6	76.1	-177	8	112.1	H7 R8 C13 F14 S15 A369 L373	H7-R11 VanDerWaalsContact CE1-CD 3.46Å; H7-R11 WeakPolarHBondContact CE1-CD 3.24Å; H7-R11 VanDerWaalsContact O-CG 3.31Å; H7-R11 WeakPolarHBondContact O-CG 3.33Å; H7-R11 PolarHBondContact O-N 3.45Å; R8-R11 PolarHBondContact O-N 3.12Å; R11-C13 VanDerWaalsContact C-N 3.35Å; R11-F14 PolarHBondContact O-N 3.15Å; R11-S15 VanDerWaalsContact O-CB 3.3Å; R11-S15 WeakPolarHBondContact O-CB 3.49Å; R11-S15 PolarHBondContact O-N 2.97Å; R11-A369 WeakPolarHBondContact CG-O 3.42Å; R11-A369 PolarHBondContact NE-O 3.07Å; R11-L373 HydrophobicContact CG-CD2 4.02Å
12	T	93.9	Very high	88.7	Confident	62 Å²	62	76.9 Å²	76.9	38%	0.38	37%	0.374	S	S	.	.	H	α-helix	trans	-65.3	-38.1	175.1	-57.1	0	0	0	0	111.9	R8 G9 L10 S15 R16	R8-T12 PolarHBondContact O-N 3.32Å; R8-T12 PolarHBondContact O-OG1 3.39Å; G9-T12 PolarHBondContact O-N 3.04Å; L10-T12 VanDerWaalsContact C-N 3.32Å; L10-T12 PolarHBondContact O-N 2.83Å; T12-S15 WeakPolarHBondContact O-CB 3.18Å; T12-S15 PolarHBondContact O-N 3.07Å; T12-R16 WeakPolarHBondContact O-CG 3.1Å; T12-R16 PolarHBondContact O-N 3.23Å
13	C	95	Very high	90	Very high	75 Å²	75	71.8 Å²	71.8	51%	0.507	35%	0.35	S	S	.	.	H	α-helix	trans	-63.6	-48.9	175.4	-66	0	0	0	0	111.5	G9 L10 R11 S15 R16 L17	G9-C13 PolarHBondContact O-N 3.46Å; G9-C13 PolarHBondContact O-SG 2.87Å; L10-C13 WeakPolarHBondContact O-CB 3.45Å; L10-C13 PolarHBondContact O-N 3Å; L10-C13 VanDerWaalsContact O-N 3.13Å; R11-C13 VanDerWaalsContact C-N 3.35Å; C13-S15 VanDerWaalsContact C-N 3.31Å; C13-S15 PolarHBondContact O-N 3.19Å; C13-R16 PolarHBondContact O-N 3.24Å; C13-L17 WeakPolarHBondContact O-CB 3.48Å; C13-L17 PolarHBondContact O-N 3.16Å
14	F	95.9	Very high	91.2	Very high	23 Å²	23	72.1 Å²	72.1	10%	0.101	36%	0.355	C	S	.	.	H	α-helix	trans	-63.6	-36.8	176.3	-74.3	-59.5	0	0	0	112.3	L10 R11 L17 G18 Y368 M372 L373 S376	L10-F14 VanDerWaalsContact O-CD2 3.22Å; L10-F14 WeakPolarHBondContact O-CD2 3.35Å; L10-F14 PolarHBondContact O-N 2.92Å; R11-F14 PolarHBondContact O-N 3.15Å; F14-L17 HydrophobicContact CD1-CD2 4.28Å; F14-L17 PolarHBondContact O-N 3.09Å; F14-G18 PolarHBondContact O-N 3.2Å; F14-Y368 WeakPolarHBondContact CB-O 3.37Å; F14-Y368 WeakPolarHBondContact O-CB 3.41Å; F14-M372 HydrophobicContact CD1-CB 3.72Å; F14-M372 HydrophobicContact CE1-CB 3.95Å; F14-M372 HydrophobicContact CG-CB 4.04Å; F14-M372 HydrophobicContact CZ-CB 4.45Å; F14-L373 HydrophobicContact CD2-CB 4.32Å; F14-L373 HydrophobicContact CE2-CB 4.28Å; F14-L373 HydrophobicContact CE2-CD1 4.15Å; F14-S376 VanDerWaalsContact CZ-OG 3.31Å; F14-S376 WeakPolarHBondContact CZ-OG 3.17Å
15	S	96.6	Very high	92.3	Very high	41 Å²	41	67 Å²	67	29%	0.287	33%	0.333	S	S	.	.	H	α-helix	trans	-58.9	-49.1	173.6	-173.3	0	0	0	0	112.1	R11 T12 C13 L17 G18 H19 A365	R11-S15 VanDerWaalsContact O-CB 3.3Å; R11-S15 WeakPolarHBondContact O-CB 3.49Å; R11-S15 PolarHBondContact O-N 2.97Å; T12-S15 WeakPolarHBondContact O-CB 3.18Å; T12-S15 PolarHBondContact O-N 3.07Å; C13-S15 VanDerWaalsContact C-N 3.31Å; C13-S15 PolarHBondContact O-N 3.19Å; S15-L17 VanDerWaalsContact C-N 3.31Å; S15-L17 PolarHBondContact O-N 3.19Å; S15-G18 PolarHBondContact O-N 3.17Å; S15-H19 PolarHBondContact O-N 3.02Å; S15-A365 WeakPolarHBondContact CA-O 3.49Å; S15-A365 VanDerWaalsContact O-CB 3.29Å; S15-A365 WeakPolarHBondContact O-CB 3.07Å
16	R	97.6	Very high	93.1	Very high	184 Å²	184	67.1 Å²	67.1	69%	0.694	33%	0.334	S	S	*	.	H	α-helix	trans	-61.9	-40.2	176	-71.8	177.8	-178.8	175.8	-0.1	111.9	T12 C13 H19 F20	T12-R16 WeakPolarHBondContact O-CG 3.1Å; T12-R16 PolarHBondContact O-N 3.23Å; C13-R16 PolarHBondContact O-N 3.24Å; R16-H19 PolarHBondContact O-N 3.19Å; R16-F20 WeakPolarHBondContact O-CB 3.37Å; R16-F20 PolarHBondContact O-N 3.38Å
17	L	96.9	Very high	93.9	Very high	50 Å²	50	69.8 Å²	69.8	26%	0.262	34%	0.342	S	S	.	.	H	α-helix	trans	-63.7	-45	177.3	-179.3	60.7	0	0	0	112	C13 F14 S15 H19 F20 I21 Y368 L418	C13-L17 WeakPolarHBondContact O-CB 3.48Å; C13-L17 PolarHBondContact O-N 3.16Å; F14-L17 HydrophobicContact CD1-CD2 4.28Å; F14-L17 PolarHBondContact O-N 3.09Å; S15-L17 VanDerWaalsContact C-N 3.31Å; S15-L17 PolarHBondContact O-N 3.19Å; L17-H19 VanDerWaalsContact C-N 3.33Å; L17-H19 PolarHBondContact O-N 3.35Å; L17-F20 WeakPolarHBondContact O-CB 3.45Å; L17-F20 PolarHBondContact O-N 2.74Å; L17-F20 VanDerWaalsContact O-N 3.16Å; L17-I21 HydrophobicContact CD1-CD1 3.98Å; L17-I21 HydrophobicContact CD1-CG1 4.42Å; L17-I21 HydrophobicContact CG-CD1 3.93Å; L17-I21 WeakPolarHBondContact O-CG1 3.37Å; L17-I21 PolarHBondContact O-N 2.85Å; L17-Y368 HydrophobicContact CG-CD1 4.47Å; L17-L418 HydrophobicContact CD2-CD1 3.79Å; L17-L418 HydrophobicContact CD2-CD2 4.19Å; L17-L418 HydrophobicContact CD2-CG 4.12Å
18	G	97	Very high	94.8	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-61.1	-41.4	175.4	0	0	0	0	0	112.1	F14 S15 F20 I21 A22	F14-G18 PolarHBondContact O-N 3.2Å; S15-G18 PolarHBondContact O-N 3.17Å; G18-F20 VanDerWaalsContact C-N 3.33Å; G18-F20 PolarHBondContact O-N 3.26Å; G18-I21 PolarHBondContact O-N 3.25Å; G18-A22 VanDerWaalsContact O-CB 3.31Å; G18-A22 WeakPolarHBondContact O-CB 3.39Å; G18-A22 PolarHBondContact O-N 3.43Å
19	H	97.2	Very high	95.3	Very high	85 Å²	85	60 Å²	60	39%	0.394	31%	0.308	S	S	.	.	H	α-helix	trans	-63.3	-38.7	174	-169.4	88.4	0	0	0	112.6	S15 R16 L17 S23 A365	S15-H19 PolarHBondContact O-N 3.02Å; R16-H19 PolarHBondContact O-N 3.19Å; L17-H19 VanDerWaalsContact C-N 3.33Å; L17-H19 PolarHBondContact O-N 3.35Å; H19-S23 PolarHBondContact O-N 3.13Å; H19-S23 VanDerWaalsContact O-N 3.1Å; H19-S23 PolarHBondContact O-OG 3.06Å; H19-A365 HydrophobicContact CB-CB 4.15Å
20	F	97.6	Very high	95.8	Very high	106 Å²	106	60.7 Å²	60.7	47%	0.465	31%	0.307	S	S	.	.	H	α-helix	trans	-67.1	-46.1	178.3	-177.5	-120.6	0	0	0	111.9	R16 L17 G18 A22 S23 H24 F28	R16-F20 WeakPolarHBondContact O-CB 3.37Å; R16-F20 PolarHBondContact O-N 3.38Å; L17-F20 WeakPolarHBondContact O-CB 3.45Å; L17-F20 PolarHBondContact O-N 2.74Å; L17-F20 VanDerWaalsContact O-N 3.16Å; G18-F20 VanDerWaalsContact C-N 3.33Å; G18-F20 PolarHBondContact O-N 3.26Å; F20-A22 VanDerWaalsContact C-N 3.34Å; F20-A22 PolarHBondContact O-N 3.35Å; F20-S23 WeakPolarHBondContact O-CB 3.29Å; F20-S23 PolarHBondContact O-N 2.79Å; F20-H24 AromaticContact CD2-CD2 3.87Å; F20-H24 AromaticContact CE2-CD2 3.52Å; F20-H24 AromaticContact CE2-NE2 3.8Å; F20-H24 PolarHBondContact O-N 3Å; F20-F28 AromaticContact CD1-CE2 3.97Å; F20-F28 HydrophobicContact CD1-CE2 3.97Å; F20-F28 AromaticContact CD1-CZ 3.86Å; F20-F28 HydrophobicContact CD1-CZ 3.86Å; F20-F28 AromaticContact CE1-CE2 3.87Å; F20-F28 HydrophobicContact CE1-CE2 3.87Å; F20-F28 AromaticContact CE1-CZ 3.6Å; F20-F28 HydrophobicContact CE1-CZ 3.6Å
21	I	96.9	Very high	96.2	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.5	-43.3	176	-70.6	158.3	0	0	0	110.8	L17 G18 S23 H24 P25 F28 Y368 L418	L17-I21 HydrophobicContact CD1-CD1 3.98Å; L17-I21 HydrophobicContact CD1-CG1 4.42Å; L17-I21 HydrophobicContact CG-CD1 3.93Å; L17-I21 WeakPolarHBondContact O-CG1 3.37Å; L17-I21 PolarHBondContact O-N 2.85Å; G18-I21 PolarHBondContact O-N 3.25Å; I21-S23 PolarHBondContact O-N 2.88Å; I21-S23 VanDerWaalsContact O-N 3.16Å; I21-H24 CarbonylContact O-C 3.26Å; I21-H24 VanDerWaalsContact O-C 3.26Å; I21-H24 PolarHBondContact O-N 2.95Å; I21-P25 WeakPolarHBondContact O-CA 3.48Å; I21-P25 WeakPolarHBondContact O-CD 3.35Å; I21-P25 VanDerWaalsContact O-N 3.09Å; I21-F28 HydrophobicContact CB-CD2 4.17Å; I21-F28 HydrophobicContact CB-CE2 4.47Å; I21-F28 HydrophobicContact CG1-CD1 4.23Å; I21-F28 HydrophobicContact CG1-CD2 3.83Å; I21-F28 HydrophobicContact CG1-CE1 4.26Å; I21-F28 HydrophobicContact CG1-CE2 3.87Å; I21-F28 HydrophobicContact CG1-CG 4.03Å; I21-F28 HydrophobicContact CG1-CZ 4.09Å; I21-F28 HydrophobicContact CG2-CB 4.23Å; I21-F28 HydrophobicContact CG2-CD2 4.22Å; I21-F28 HydrophobicContact CG2-CG 4.31Å; I21-Y368 HydrophobicContact CD1-CE1 3.56Å; I21-Y368 WeakPolarHBondContact CD1-OH 3.39Å; I21-L418 HydrophobicContact CD1-CD2 3.85Å; I21-L418 HydrophobicContact CD1-CG 4.4Å; I21-L418 WeakPolarHBondContact CD1-O 3.41Å
22	A	96.3	Very high	96.6	Very high	2 Å²	2	54.3 Å²	54.3	2%	0.017	29%	0.285	C	S	.	.	H	α-helix	trans	-64	-19.1	175.6	0	0	0	0	0	113.7	G18 F20 K361 T364 V426	G18-A22 VanDerWaalsContact O-CB 3.31Å; G18-A22 WeakPolarHBondContact O-CB 3.39Å; G18-A22 PolarHBondContact O-N 3.43Å; F20-A22 VanDerWaalsContact C-N 3.34Å; F20-A22 PolarHBondContact O-N 3.35Å; A22-K361 HydrophobicContact CB-CB 4.13Å; A22-K361 HydrophobicContact CB-CG 3.85Å; A22-T364 HydrophobicContact CB-CG2 4.08Å; A22-V426 HydrophobicContact CB-CG1 4.36Å; A22-V426 HydrophobicContact CB-CG2 3.76Å
23	S	96.8	Very high	96.8	Very high	37 Å²	37	53.6 Å²	53.6	26%	0.259	28%	0.281	S	S	.	.	H	α-helix	trans	-85.5	-20.4	173.8	-62.9	0	0	0	0	113.2	H19 F20 I21 K361	H19-S23 PolarHBondContact O-N 3.13Å; H19-S23 VanDerWaalsContact O-N 3.1Å; H19-S23 PolarHBondContact O-OG 3.06Å; F20-S23 WeakPolarHBondContact O-CB 3.29Å; F20-S23 PolarHBondContact O-N 2.79Å; I21-S23 PolarHBondContact O-N 2.88Å; I21-S23 VanDerWaalsContact O-N 3.16Å; S23-K361 PolarHBondContact OG-NZ 3.46Å
24	H	97.1	Very high	96.9	Very high	98 Å²	98	55 Å²	55	45%	0.454	28%	0.282	S	S	.	.	S	Bend	trans	-134.2	48.8	-179.7	-56.6	-68.6	0	0	0	113.7	F20 I21 V26 F27 F28	F20-H24 AromaticContact CD2-CD2 3.87Å; F20-H24 AromaticContact CE2-CD2 3.52Å; F20-H24 AromaticContact CE2-NE2 3.8Å; F20-H24 PolarHBondContact O-N 3Å; I21-H24 CarbonylContact O-C 3.26Å; I21-H24 VanDerWaalsContact O-C 3.26Å; I21-H24 PolarHBondContact O-N 2.95Å; H24-V26 VanDerWaalsContact C-N 3.3Å; H24-V26 PolarHBondContact O-N 2.91Å; H24-F27 PolarHBondContact O-N 2.78Å; H24-F28 HydrophobicContact CB-CD2 4.16Å; H24-F28 HydrophobicContact CB-CE2 4.17Å; H24-F28 WeakPolarHBondContact O-CD2 3.39Å; H24-F28 PolarHBondContact O-N 3.21Å
25	P	96.1	Very high	97	Very high	18 Å²	18	57.2 Å²	57.2	12%	0.117	30%	0.295	C	S	.	.	H	α-helix	trans	-64.7	-31.3	-169.3	26.4	-35.7	0	0	0	113.3	I21 F27 F28 A29 S423 V426 F427	I21-P25 WeakPolarHBondContact O-CA 3.48Å; I21-P25 WeakPolarHBondContact O-CD 3.35Å; I21-P25 VanDerWaalsContact O-N 3.09Å; P25-F27 PolarHBondContact O-N 2.95Å; P25-F28 PolarHBondContact O-N 3.36Å; P25-A29 VanDerWaalsContact O-CB 3.25Å; P25-A29 WeakPolarHBondContact O-CB 3.29Å; P25-A29 PolarHBondContact O-N 2.96Å; P25-S423 VanDerWaalsContact O-CB 3.3Å; P25-S423 WeakPolarHBondContact O-CB 3.21Å; P25-S423 PolarHBondContact O-OG 2.96Å; P25-V426 HydrophobicContact CB-CB 4.32Å; P25-V426 HydrophobicContact CB-CG1 4.05Å; P25-V426 HydrophobicContact CG-CG1 4.13Å; P25-F427 HydrophobicContact CB-CE2 4.06Å; P25-F427 HydrophobicContact CB-CZ 4.02Å; P25-F427 HydrophobicContact CG-CE1 4.44Å; P25-F427 HydrophobicContact CG-CZ 4.2Å
26	V	96.4	Very high	97.1	Very high	101 Å²	101	55.2 Å²	55.2	61%	0.612	28%	0.281	S	S	*	.	H	α-helix	trans	-64.6	-41.4	179.1	179.5	0	0	0	0	111.6	H24 S30 F427	H24-V26 VanDerWaalsContact C-N 3.3Å; H24-V26 PolarHBondContact O-N 2.91Å; V26-S30 WeakPolarHBondContact O-CB 3.49Å; V26-S30 PolarHBondContact O-N 3.08Å; V26-S30 PolarHBondContact O-OG 2.94Å; V26-F427 HydrophobicContact CG2-CZ 3.96Å
27	F	96.2	Very high	97	Very high	131 Å²	131	51.5 Å²	51.5	58%	0.575	27%	0.274	S	S	*	.	H	α-helix	trans	-65.9	-48.8	177.9	173.6	-100.9	0	0	0	110.9	H24 P25 A29 S30 A31	H24-F27 PolarHBondContact O-N 2.78Å; P25-F27 PolarHBondContact O-N 2.95Å; F27-A29 VanDerWaalsContact C-N 3.27Å; F27-A29 PolarHBondContact O-N 3.38Å; F27-S30 PolarHBondContact O-N 3.11Å; F27-S30 PolarHBondContact O-OG 3.01Å; F27-A31 PolarHBondContact O-N 3.16Å
28	F	97.4	Very high	96.9	Very high	31 Å²	31	55.1 Å²	55.1	14%	0.136	29%	0.292	C	S	.	.	H	α-helix	trans	-70.1	-20.8	-179.3	-74.9	-71	0	0	0	113.9	F20 I21 H24 P25 P32 S419 F420 S423	F20-F28 AromaticContact CD1-CE2 3.97Å; F20-F28 HydrophobicContact CD1-CE2 3.97Å; F20-F28 AromaticContact CD1-CZ 3.86Å; F20-F28 HydrophobicContact CD1-CZ 3.86Å; F20-F28 AromaticContact CE1-CE2 3.87Å; F20-F28 HydrophobicContact CE1-CE2 3.87Å; F20-F28 AromaticContact CE1-CZ 3.6Å; F20-F28 HydrophobicContact CE1-CZ 3.6Å; I21-F28 HydrophobicContact CB-CD2 4.17Å; I21-F28 HydrophobicContact CB-CE2 4.47Å; I21-F28 HydrophobicContact CG1-CD1 4.23Å; I21-F28 HydrophobicContact CG1-CD2 3.83Å; I21-F28 HydrophobicContact CG1-CE1 4.26Å; I21-F28 HydrophobicContact CG1-CE2 3.87Å; I21-F28 HydrophobicContact CG1-CG 4.03Å; I21-F28 HydrophobicContact CG1-CZ 4.09Å; I21-F28 HydrophobicContact CG2-CB 4.23Å; I21-F28 HydrophobicContact CG2-CD2 4.22Å; I21-F28 HydrophobicContact CG2-CG 4.31Å; H24-F28 HydrophobicContact CB-CD2 4.16Å; H24-F28 HydrophobicContact CB-CE2 4.17Å; H24-F28 WeakPolarHBondContact O-CD2 3.39Å; H24-F28 PolarHBondContact O-N 3.21Å; P25-F28 PolarHBondContact O-N 3.36Å; F28-P32 WeakPolarHBondContact O-CD 3.41Å; F28-P32 WeakPolarHBondContact O-CG 3.4Å; F28-S419 CarbonylContact O-C 3.36Å; F28-S419 WeakPolarHBondContact O-CB 3.5Å; F28-F420 PolarHBondContact O-N 2.96Å; F28-S423 WeakPolarHBondContact CB-OG 3.36Å
29	A	96.1	Very high	96.9	Very high	18 Å²	18	56.7 Å²	56.7	15%	0.149	30%	0.301	C	S	.	.	H	α-helix	trans	-80.4	-41	168.7	0	0	0	0	0	112.8	P25 F27 V33 F420 S423 F427	P25-A29 VanDerWaalsContact O-CB 3.25Å; P25-A29 WeakPolarHBondContact O-CB 3.29Å; P25-A29 PolarHBondContact O-N 2.96Å; F27-A29 VanDerWaalsContact C-N 3.27Å; F27-A29 PolarHBondContact O-N 3.38Å; A29-V33 WeakPolarHBondContact O-CG2 3.49Å; A29-F420 HydrophobicContact CB-CD2 4.48Å; A29-F420 VanDerWaalsContact O-CD2 3.32Å; A29-F420 WeakPolarHBondContact O-CD2 3.28Å; A29-S423 PolarHBondContact N-OG 3.38Å; A29-F427 HydrophobicContact CB-CE2 4.44Å
30	S	97.4	Very high	96.6	Very high	48 Å²	48	53.4 Å²	53.4	34%	0.336	29%	0.29	S	S	.	.	H	α-helix	trans	-75.9	-37.4	-174.8	52.1	0	0	0	0	113.6	V26 F27 V33 L34	V26-S30 WeakPolarHBondContact O-CB 3.49Å; V26-S30 PolarHBondContact O-N 3.08Å; V26-S30 PolarHBondContact O-OG 2.94Å; F27-S30 PolarHBondContact O-N 3.11Å; F27-S30 PolarHBondContact O-OG 3.01Å; S30-V33 PolarHBondContact O-N 2.74Å; S30-L34 WeakPolarHBondContact O-CG 3.27Å; S30-L34 PolarHBondContact O-N 3.34Å
31	A	96.7	Very high	96.4	Very high	27 Å²	27	51.6 Å²	51.6	22%	0.223	30%	0.295	C	S	.	.	H	α-helix	trans	-60.2	-49.2	-175.8	0	0	0	0	0	113.8	F27 V33 L34 I35	F27-A31 PolarHBondContact O-N 3.16Å; A31-V33 VanDerWaalsContact C-N 3.3Å; A31-V33 PolarHBondContact O-N 2.89Å; A31-L34 PolarHBondContact O-N 3.07Å; A31-I35 VanDerWaalsContact O-CG1 3.27Å; A31-I35 WeakPolarHBondContact O-CG1 3.43Å; A31-I35 PolarHBondContact O-N 3Å
32	P	98	Very high	96.2	Very high	4 Å²	4	52.1 Å²	52.1	3%	0.026	30%	0.298	C	S	.	.	H	α-helix	trans	-57.2	-39.9	174.8	-31.4	40.8	0	0	0	114	F28 S36 Y416 S419 F420	F28-P32 WeakPolarHBondContact O-CD 3.41Å; F28-P32 WeakPolarHBondContact O-CG 3.4Å; P32-S36 VanDerWaalsContact O-CB 3.29Å; P32-S36 WeakPolarHBondContact O-CB 3Å; P32-S36 PolarHBondContact O-N 3.4Å; P32-S36 PolarHBondContact O-OG 2.93Å; P32-Y416 HydrophobicContact CB-CD1 3.58Å; P32-Y416 HydrophobicContact CB-CD2 4.21Å; P32-Y416 HydrophobicContact CB-CE1 3.57Å; P32-Y416 HydrophobicContact CB-CE2 4.21Å; P32-Y416 HydrophobicContact CB-CG 3.91Å; P32-Y416 HydrophobicContact CG-CD1 3.85Å; P32-Y416 HydrophobicContact CG-CE1 4.06Å; P32-Y416 HydrophobicContact CG-CG 4.46Å; P32-Y416 PolarHBondContact O-OH 3.35Å; P32-S419 WeakPolarHBondContact CG-OG 3.27Å; P32-F420 HydrophobicContact CB-CB 4.1Å; P32-F420 HydrophobicContact CG-CB 4.01Å
33	V	97.9	Very high	95.9	Very high	47 Å²	47	56.3 Å²	56.3	29%	0.285	32%	0.316	S	S	.	.	H	α-helix	trans	-65.3	-47.2	178.7	177.1	0	0	0	0	110.3	A29 S30 A31 S36 I37 L309 F420	A29-V33 WeakPolarHBondContact O-CG2 3.49Å; S30-V33 PolarHBondContact O-N 2.74Å; A31-V33 VanDerWaalsContact C-N 3.3Å; A31-V33 PolarHBondContact O-N 2.89Å; V33-S36 PolarHBondContact O-N 3.37Å; V33-I37 HydrophobicContact CG1-CD1 3.78Å; V33-I37 HydrophobicContact CG1-CG1 4.49Å; V33-I37 VanDerWaalsContact O-CG1 3.27Å; V33-I37 WeakPolarHBondContact O-CG1 3.42Å; V33-I37 PolarHBondContact O-N 3.23Å; V33-L309 HydrophobicContact CG2-CD1 3.92Å; V33-F420 HydrophobicContact CG2-CD2 3.89Å; V33-F420 HydrophobicContact CG2-CE2 3.56Å
34	L	97.6	Very high	95.5	Very high	103 Å²	103	59.7 Å²	59.7	54%	0.539	34%	0.34	S	S	.	.	H	α-helix	trans	-62.4	-45.5	178.2	-69.9	171	0	0	0	112	S30 A31 S36 I37 L38	S30-L34 WeakPolarHBondContact O-CG 3.27Å; S30-L34 PolarHBondContact O-N 3.34Å; A31-L34 PolarHBondContact O-N 3.07Å; L34-S36 VanDerWaalsContact C-N 3.32Å; L34-S36 PolarHBondContact O-N 3.49Å; L34-I37 PolarHBondContact O-N 2.91Å; L34-L38 WeakPolarHBondContact O-CB 3.43Å; L34-L38 VanDerWaalsContact O-CG 3.28Å; L34-L38 WeakPolarHBondContact O-CG 3.48Å; L34-L38 PolarHBondContact O-N 2.75Å
35	I	97.5	Very high	95.3	Very high	70 Å²	70	62.2 Å²	62.2	36%	0.359	35%	0.345	S	S	.	.	H	α-helix	trans	-59.8	-45.1	176.8	-68.6	167	0	0	0	110.4	A31 I37 L38 L39 T313 Y416	A31-I35 VanDerWaalsContact O-CG1 3.27Å; A31-I35 WeakPolarHBondContact O-CG1 3.43Å; A31-I35 PolarHBondContact O-N 3Å; I35-I37 PolarHBondContact O-N 3Å; I35-L38 PolarHBondContact O-N 3.13Å; I35-L39 HydrophobicContact CG2-CD1 3.71Å; I35-L39 WeakPolarHBondContact O-CB 3.43Å; I35-L39 PolarHBondContact O-N 3.3Å; I35-T313 HydrophobicContact CG2-CG2 4.3Å; I35-Y416 WeakPolarHBondContact CG2-OH 3.29Å
36	S	97.7	Very high	95.1	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-65.9	-37.2	179.8	-55.6	0	0	0	0	112.5	P32 V33 L34 G40 L309 T313 Y416	P32-S36 VanDerWaalsContact O-CB 3.29Å; P32-S36 WeakPolarHBondContact O-CB 3Å; P32-S36 PolarHBondContact O-N 3.4Å; P32-S36 PolarHBondContact O-OG 2.93Å; V33-S36 PolarHBondContact O-N 3.37Å; L34-S36 VanDerWaalsContact C-N 3.32Å; L34-S36 PolarHBondContact O-N 3.49Å; S36-G40 VanDerWaalsContact O-CA 3.32Å; S36-G40 WeakPolarHBondContact O-CA 3.12Å; S36-G40 PolarHBondContact O-N 2.94Å; S36-L309 WeakPolarHBondContact OG-CB 3.5Å; S36-L309 PolarHBondContact OG-O 2.8Å; S36-T313 PolarHBondContact OG-OG1 2.93Å; S36-Y416 VanDerWaalsContact OG-CE2 3.32Å; S36-Y416 WeakPolarHBondContact OG-CE2 3.32Å; S36-Y416 PolarHBondContact OG-OH 3.39Å
37	I	95.9	Very high	94.9	Very high	105 Å²	105	66.2 Å²	66.2	54%	0.538	35%	0.352	S	S	.	.	H	α-helix	trans	-67.5	-47.1	175.2	-69.8	167.2	0	0	0	110.5	V33 L34 I35 G40 A41	V33-I37 HydrophobicContact CG1-CD1 3.78Å; V33-I37 HydrophobicContact CG1-CG1 4.49Å; V33-I37 VanDerWaalsContact O-CG1 3.27Å; V33-I37 WeakPolarHBondContact O-CG1 3.42Å; V33-I37 PolarHBondContact O-N 3.23Å; L34-I37 PolarHBondContact O-N 2.91Å; I35-I37 PolarHBondContact O-N 3Å; I37-G40 PolarHBondContact O-N 2.95Å; I37-A41 PolarHBondContact O-N 3.19Å
38	L	95.9	Very high	94.7	Very high	126 Å²	126	62.5 Å²	62.5	66%	0.66	34%	0.34	S	S	*	.	H	α-helix	trans	-61.5	-46.9	-179.9	-72.9	169.7	0	0	0	111.5	L34 I35 A41	L34-L38 WeakPolarHBondContact O-CB 3.43Å; L34-L38 VanDerWaalsContact O-CG 3.28Å; L34-L38 WeakPolarHBondContact O-CG 3.48Å; L34-L38 PolarHBondContact O-N 2.75Å; I35-L38 PolarHBondContact O-N 3.13Å; L38-A41 WeakPolarHBondContact O-CB 3.37Å; L38-A41 PolarHBondContact O-N 2.95Å
39	L	95.4	Very high	94.4	Very high	34 Å²	34	62.2 Å²	62.2	18%	0.178	34%	0.339	C	S	.	.	H	α-helix	trans	-74.1	-32.4	177.7	-69.4	170.1	0	0	0	111.8	I35 A41 S42 T313 G316 I317 L320	I35-L39 HydrophobicContact CG2-CD1 3.71Å; I35-L39 WeakPolarHBondContact O-CB 3.43Å; I35-L39 PolarHBondContact O-N 3.3Å; L39-A41 VanDerWaalsContact C-N 3.28Å; L39-A41 PolarHBondContact O-N 2.77Å; L39-S42 WeakPolarHBondContact O-CB 3.27Å; L39-S42 PolarHBondContact O-N 3.19Å; L39-S42 VanDerWaalsContact O-N 3.11Å; L39-S42 PolarHBondContact O-OG 3.46Å; L39-T313 HydrophobicContact CD1-CG2 3.62Å; L39-G316 WeakPolarHBondContact O-CA 3.49Å; L39-I317 HydrophobicContact CD1-CD1 4.28Å; L39-I317 HydrophobicContact CD1-CG1 4.04Å; L39-I317 HydrophobicContact CD2-CG1 4.22Å; L39-L320 HydrophobicContact CD2-CD1 3.51Å
40	G	92	Very high	93.8	Very high	15 Å²	15	67.2 Å²	67.2	16%	0.155	36%	0.36	C	S	.	.	H	α-helix	trans	-64.6	-26.1	173.1	0	0	0	0	0	113.9	S36 I37 S42 F43	S36-G40 VanDerWaalsContact O-CA 3.32Å; S36-G40 WeakPolarHBondContact O-CA 3.12Å; S36-G40 PolarHBondContact O-N 2.94Å; I37-G40 PolarHBondContact O-N 2.95Å; G40-S42 PolarHBondContact O-N 2.96Å; G40-S42 VanDerWaalsContact O-N 3.12Å; G40-F43 WeakPolarHBondContact O-CD2 3.1Å; G40-F43 PolarHBondContact O-N 3.48Å
41	A	92.9	Very high	93.3	Very high	69 Å²	69	67.2 Å²	67.2	57%	0.57	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-63	-18	172.5	0	0	0	0	0	113.1	I37 L38 L39 F43 S44	I37-A41 PolarHBondContact O-N 3.19Å; L38-A41 WeakPolarHBondContact O-CB 3.37Å; L38-A41 PolarHBondContact O-N 2.95Å; L39-A41 VanDerWaalsContact C-N 3.28Å; L39-A41 PolarHBondContact O-N 2.77Å; A41-F43 PolarHBondContact O-N 3.32Å; A41-S44 PolarHBondContact O-N 3.47Å; A41-S44 PolarHBondContact O-OG 2.71Å; A41-S44 VanDerWaalsContact O-OG 3.11Å
42	S	92.8	Very high	92.9	Very high	10 Å²	10	66.4 Å²	66.4	7%	0.07	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-70.7	-6.4	178.8	-40.1	0	0	0	0	113.9	L39 G40 S44 R45 N319 L320	L39-S42 WeakPolarHBondContact O-CB 3.27Å; L39-S42 PolarHBondContact O-N 3.19Å; L39-S42 VanDerWaalsContact O-N 3.11Å; L39-S42 PolarHBondContact O-OG 3.46Å; G40-S42 PolarHBondContact O-N 2.96Å; G40-S42 VanDerWaalsContact O-N 3.12Å; S42-S44 PolarHBondContact O-N 2.81Å; S42-S44 VanDerWaalsContact O-N 3.09Å; S42-R45 PolarHBondContact O-N 2.92Å; S42-N319 WeakPolarHBondContact O-CB 3.36Å; S42-L320 WeakPolarHBondContact OG-CD1 3.32Å; S42-L320 WeakPolarHBondContact OG-CD2 3.37Å; S42-L320 VanDerWaalsContact OG-CG 3.25Å; S42-L320 WeakPolarHBondContact OG-CG 3.2Å
43	F	89.8	Confident	92.4	Very high	91 Å²	91	67.8 Å²	67.8	40%	0.399	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-60.8	-13.7	171.2	-86	-102	0	0	0	113.2	G40 A41 R45 Y46 L312 A315	G40-F43 WeakPolarHBondContact O-CD2 3.1Å; G40-F43 PolarHBondContact O-N 3.48Å; A41-F43 PolarHBondContact O-N 3.32Å; F43-R45 PolarHBondContact O-N 2.94Å; F43-Y46 HydrophobicContact CD1-CD2 4.46Å; F43-Y46 WeakPolarHBondContact O-CB 3.34Å; F43-Y46 PolarHBondContact O-N 3.01Å; F43-L312 HydrophobicContact CD2-CD1 4.34Å; F43-L312 HydrophobicContact CE2-CD1 3.59Å; F43-L312 HydrophobicContact CZ-CD1 4.19Å; F43-A315 HydrophobicContact CE2-CB 3.95Å; F43-A315 HydrophobicContact CZ-CB 3.7Å
44	S	89.9	Confident	92	Very high	108 Å²	108	68.9 Å²	68.9	76%	0.755	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-57.7	-24	164.7	53.9	0	0	0	0	114	A41 S42	A41-S44 PolarHBondContact O-N 3.47Å; A41-S44 PolarHBondContact O-OG 2.71Å; A41-S44 VanDerWaalsContact O-OG 3.11Å; S42-S44 PolarHBondContact O-N 2.81Å; S42-S44 VanDerWaalsContact O-N 3.09Å
45	R	91.7	Very high	91.7	Very high	150 Å²	150	64 Å²	64	57%	0.566	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-98.7	14	175.1	-60.3	-175.1	178.4	-173.9	-0.6	113.2	S42 F43 Q47	S42-R45 PolarHBondContact O-N 2.92Å; F43-R45 PolarHBondContact O-N 2.94Å; R45-Q47 PolarHBondContact O-N 3.44Å
46	Y	91.7	Very high	91.2	Very high	101 Å²	101	60.9 Å²	60.9	40%	0.396	32%	0.318	S	S	.	.			trans	-57.6	123.9	178.8	176	-96.6	0	0	0	110.7	F43 V48 Y325	F43-Y46 HydrophobicContact CD1-CD2 4.46Å; F43-Y46 WeakPolarHBondContact O-CB 3.34Å; F43-Y46 PolarHBondContact O-N 3.01Å; Y46-V48 HydrophobicContact CD1-CG2 4.46Å; Y46-V48 HydrophobicContact CE1-CG2 3.54Å; Y46-Y325 VanDerWaalsContact CE2-CB 3.41Å; Y46-Y325 HydrophobicContact CE2-CD1 4.44Å; Y46-Y325 HydrophobicContact CE2-CD2 4.17Å; Y46-Y325 AromaticContact CE2-CG 3.75Å; Y46-Y325 HydrophobicContact CE2-CG 3.75Å; Y46-Y325 AromaticContact CZ-CG 3.84Å; Y46-Y325 WeakPolarHBondContact OH-CD1 3.36Å
47	Q	92.8	Very high	90.7	Very high	102 Å²	102	60.9 Å²	60.9	48%	0.477	32%	0.318	S	S	.	.			trans	-127.9	151.2	176.7	-70.6	-175.9	-0.1	0	0	109.6	R45 K324 Y325	R45-Q47 PolarHBondContact O-N 3.44Å; Q47-K324 HydrophobicContact CB-CG 3.94Å; Q47-K324 CarbonylContact O-C 3.59Å; Q47-K324 WeakPolarHBondContact O-CA 3.34Å; Q47-Y325 WeakPolarHBondContact O-CB 3.28Å; Q47-Y325 PolarHBondContact O-N 3.3Å
48	V	91.7	Very high	90.4	Very high	54 Å²	54	55.9 Å²	55.9	33%	0.327	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-110.4	136.5	178.3	-178.8	0	0	0	0	108.4	Y46 E50 Q262	Y46-V48 HydrophobicContact CD1-CG2 4.46Å; Y46-V48 HydrophobicContact CE1-CG2 3.54Å; V48-E50 PolarHBondContact O-N 3.17Å; V48-Q262 HydrophobicContact CG1-CG 4.06Å
49	E	91.5	Very high	89.9	Confident	24 Å²	24	52.3 Å²	52.3	11%	0.112	27%	0.272	C	S	.	.			trans	-71.9	126.6	174.3	-176.1	52	-98.6	0	0	109.8	S51 H54 L55 Q262 K324 Y325	E49-S51 PolarHBondContact OE1-N 2.86Å; E49-H54 IonicContact OE2-CD2 3.73Å; E49-L55 HydrophobicContact CB-CD1 4.06Å; E49-L55 HydrophobicContact CB-CD2 4.38Å; E49-L55 HydrophobicContact CB-CG 4.4Å; E49-L55 HydrophobicContact CG-CD1 3.78Å; E49-L55 HydrophobicContact CG-CD2 3.87Å; E49-L55 HydrophobicContact CG-CG 3.67Å; E49-Q262 PolarHBondContact O-NE2 3.34Å; E49-K324 HydrophobicContact CB-CB 3.98Å; E49-K324 HydrophobicContact CB-CD 4.23Å; E49-K324 IonicContact OE1-NZ 3.52Å; E49-K324 PolarHBondContact OE1-NZ 3.48Å; E49-K324 WeakPolarHBondContact OE2-CD 3.47Å; E49-K324 IonicContact OE2-NZ 2.72Å; E49-K324 PolarHBondContact OE2-NZ 2.83Å; E49-Y325 PolarHBondContact N-O 3.38Å
50	E	83.6	Confident	89.4	Confident	124 Å²	124	57.9 Å²	57.9	58%	0.579	30%	0.297	S	S	*	.			trans	-91.8	-29.4	-175.1	-62.2	-172.1	170.3	0	0	111.5	V48 V52 R258	V48-E50 PolarHBondContact O-N 3.17Å; E50-V52 PolarHBondContact O-N 3.1Å; E50-R258 WeakPolarHBondContact O-CD 3.21Å; E50-R258 WeakPolarHBondContact O-CG 3.27Å; E50-R258 IonicContact OE1-NH1 2.87Å; E50-R258 IonicContact OE2-NH1 3.79Å
51	S	87.4	Confident	89.1	Confident	48 Å²	48	57.6 Å²	57.6	34%	0.336	29%	0.293	S	S	.	.			trans	-93.4	103.5	-175.8	-177.1	0	0	0	0	111.9	E49 E53 H54 L55	E49-S51 PolarHBondContact OE1-N 2.86Å; S51-E53 PolarHBondContact O-N 2.94Å; S51-H54 PolarHBondContact O-N 3.11Å; S51-H54 WeakPolarHBondContact OG-CB 3.44Å; S51-H54 PolarHBondContact OG-N 3.48Å; S51-L55 PolarHBondContact O-N 2.99Å
52	V	88.1	Confident	88.8	Confident	10 Å²	10	58.3 Å²	58.3	6%	0.061	29%	0.287	C	S	.	.	H	α-helix	trans	-64.1	-33.4	171.1	-177.2	0	0	0	0	110.9	E50 H54 L55 L56 L257 R258 F261 I531	E50-V52 PolarHBondContact O-N 3.1Å; V52-H54 VanDerWaalsContact C-N 3.35Å; V52-H54 PolarHBondContact O-N 3.38Å; V52-L55 PolarHBondContact O-N 2.9Å; V52-L56 HydrophobicContact CG1-CD1 3.74Å; V52-L56 HydrophobicContact CG1-CG 4.39Å; V52-L56 PolarHBondContact O-N 2.86Å; V52-L257 HydrophobicContact CB-CD2 4.16Å; V52-L257 HydrophobicContact CB-CG 4.44Å; V52-L257 HydrophobicContact CG1-CD2 3.92Å; V52-L257 HydrophobicContact CG1-CG 4.24Å; V52-L257 HydrophobicContact CG2-CG 4.3Å; V52-R258 HydrophobicContact CG2-CB 4.21Å; V52-F261 HydrophobicContact CG2-CB 4.43Å; V52-F261 HydrophobicContact CG2-CD1 4.38Å; V52-I531 HydrophobicContact CG1-CD1 4.23Å
53	E	87.3	Confident	88.4	Confident	32 Å²	32	57.9 Å²	57.9	15%	0.15	28%	0.284	C	S	.	.	H	α-helix	trans	-61.2	-43.4	173.7	-169.6	-167.3	126.4	0	0	111.4	S51 L55 A57 K64 R67 V687 Y688	S51-E53 PolarHBondContact O-N 2.94Å; E53-L55 VanDerWaalsContact C-N 3.27Å; E53-L55 PolarHBondContact O-N 3.45Å; E53-A57 HydrophobicContact CG-CB 3.83Å; E53-A57 WeakPolarHBondContact O-CA 3.49Å; E53-A57 WeakPolarHBondContact O-CB 3.29Å; E53-A57 PolarHBondContact O-N 3.36Å; E53-K64 WeakPolarHBondContact OE1-CE 3.49Å; E53-R67 IonicContact OE1-CZ 3.38Å; E53-R67 VanDerWaalsContact OE1-CZ 3.24Å; E53-R67 IonicContact OE1-NH1 3.55Å; E53-R67 PolarHBondContact OE1-NH1 2.86Å; E53-R67 IonicContact OE1-NH2 3.56Å; E53-R67 PolarHBondContact OE1-NH2 2.85Å; E53-R67 IonicContact OE2-CZ 3.38Å; E53-R67 IonicContact OE2-NH1 2.77Å; E53-R67 PolarHBondContact OE2-NH1 2.99Å; E53-V687 HydrophobicContact CG-CG1 3.91Å; E53-Y688 VanDerWaalsContact CA-OH 3.27Å; E53-Y688 WeakPolarHBondContact CA-OH 3.46Å; E53-Y688 VanDerWaalsContact CB-OH 3.28Å; E53-Y688 WeakPolarHBondContact CB-OH 3.39Å; E53-Y688 PolarHBondContact N-OH 3Å
54	H	89.9	Confident	88.3	Confident	71 Å²	71	54.7 Å²	54.7	33%	0.329	27%	0.27	S	S	.	.	H	α-helix	trans	-62	-38.3	179.2	178.6	57.5	0	0	0	111.9	E49 S51 V52 E397	E49-H54 IonicContact OE2-CD2 3.73Å; S51-H54 PolarHBondContact O-N 3.11Å; S51-H54 WeakPolarHBondContact OG-CB 3.44Å; S51-H54 PolarHBondContact OG-N 3.48Å; V52-H54 VanDerWaalsContact C-N 3.35Å; V52-H54 PolarHBondContact O-N 3.38Å; H54-E397 VanDerWaalsContact O-CB 3.25Å; H54-E397 WeakPolarHBondContact O-CB 3.36Å
55	L	90	Very high	88.3	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-72.8	-45.6	-178.3	-71.5	175.2	0	0	0	113	E49 S51 V52 E53 F261 N326 I396 E397 A398 I401	E49-L55 HydrophobicContact CB-CD1 4.06Å; E49-L55 HydrophobicContact CB-CD2 4.38Å; E49-L55 HydrophobicContact CB-CG 4.4Å; E49-L55 HydrophobicContact CG-CD1 3.78Å; E49-L55 HydrophobicContact CG-CD2 3.87Å; E49-L55 HydrophobicContact CG-CG 3.67Å; S51-L55 PolarHBondContact O-N 2.99Å; V52-L55 PolarHBondContact O-N 2.9Å; E53-L55 VanDerWaalsContact C-N 3.27Å; E53-L55 PolarHBondContact O-N 3.45Å; L55-F261 HydrophobicContact CD1-CE1 4.01Å; L55-N326 HydrophobicContact CD1-CB 3.68Å; L55-N326 HydrophobicContact CD2-CB 4.29Å; L55-I396 WeakPolarHBondContact O-CG2 3.19Å; L55-E397 PolarHBondContact O-N 2.93Å; L55-A398 HydrophobicContact CB-CB 4.23Å; L55-A398 HydrophobicContact CD2-CB 4.49Å; L55-A398 VanDerWaalsContact O-CB 3.25Å; L55-A398 WeakPolarHBondContact O-CB 3.28Å; L55-A398 PolarHBondContact O-N 3.49Å; L55-I401 HydrophobicContact CD2-CD1 3.61Å
56	L	87.3	Confident	88.1	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.016	24%	0.236	C	C	.	.	H	α-helix	trans	-113.3	-23.8	-163.5	-60.2	179.1	0	0	0	114.3	V52 A398 L528 I531 Y692 C751	V52-L56 HydrophobicContact CG1-CD1 3.74Å; V52-L56 HydrophobicContact CG1-CG 4.39Å; V52-L56 PolarHBondContact O-N 2.86Å; L56-A398 HydrophobicContact CD2-CB 3.89Å; L56-L528 HydrophobicContact CD1-CD2 4.06Å; L56-I531 HydrophobicContact CD1-CD1 3.11Å; L56-I531 HydrophobicContact CD1-CG1 4.38Å; L56-I531 HydrophobicContact CD1-CG2 4.45Å; L56-Y692 WeakPolarHBondContact O-CE2 3.42Å; L56-C751 HydrophobicContact CD2-CB 4.26Å
57	A	86.9	Confident	87.9	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-82.5	141.9	173.1	0	0	0	0	0	110.2	E53 Q59 K64 V687 Y688	E53-A57 HydrophobicContact CG-CB 3.83Å; E53-A57 WeakPolarHBondContact O-CA 3.49Å; E53-A57 WeakPolarHBondContact O-CB 3.29Å; E53-A57 PolarHBondContact O-N 3.36Å; A57-Q59 PolarHBondContact O-N 3.18Å; A57-K64 PolarHBondContact O-NZ 3.32Å; A57-V687 HydrophobicContact CB-CG1 3.68Å; A57-Y688 HydrophobicContact CB-CD1 3.97Å; A57-Y688 HydrophobicContact CB-CE1 4Å
58	P	89.3	Confident	87.6	Confident	1 Å²	1	45 Å²	45	1%	0.006	23%	0.226	C	C	.	.			trans	-52.9	131	177.8	-23.1	31.6	0	0	0	111.3	K64 N395	P58-K64 WeakPolarHBondContact O-CD 3.26Å; P58-K64 VanDerWaalsContact O-CE 3.28Å; P58-K64 WeakPolarHBondContact O-CE 3.4Å; P58-K64 PolarHBondContact O-NZ 2.95Å; P58-N395 CarbonylContact C-O 3.59Å; P58-N395 WeakPolarHBondContact CA-O 3.5Å; P58-N395 WeakPolarHBondContact CB-ND2 3.17Å
59	Q	86.4	Confident	87.4	Confident	50 Å²	50	45.5 Å²	45.5	23%	0.234	23%	0.227	C	C	.	.	S	Bend	trans	-62.9	-46.2	-176.8	-69.3	-168.4	-28.5	0	0	111.9	A57 K64 N395 E397	A57-Q59 PolarHBondContact O-N 3.18Å; Q59-K64 WeakPolarHBondContact O-CD 3.43Å; Q59-N395 PolarHBondContact N-O 3.4Å; Q59-N395 PolarHBondContact N-OD1 2.93Å; Q59-E397 PolarHBondContact NE2-OE2 2.79Å
60	H	85.2	Confident	87.2	Confident	151 Å²	151	44.4 Å²	44.4	70%	0.699	22%	0.222	S	C	*	.	S	Bend	trans	-104.5	97.7	175.3	-55.5	-63.9	0	0	0	108.5	N395	H60-N395 PolarHBondContact N-OD1 2.91Å; H60-N395 PolarHBondContact O-ND2 3.43Å
61	S	85	Confident	87.1	Confident	10 Å²	10	40.2 Å²	40.2	7%	0.07	20%	0.204	C	C	.	.			trans	-131.9	151.8	171.9	65.6	0	0	0	0	110.5	A63 K64 I65	S61-A63 PolarHBondContact O-N 3.41Å; S61-K64 PolarHBondContact O-N 3.42Å; S61-K64 WeakPolarHBondContact OG-CG 3.34Å; S61-K64 PolarHBondContact OG-N 3.36Å; S61-I65 PolarHBondContact O-N 3.1Å
62	L	85.8	Confident	87	Confident	84 Å²	84	42 Å²	42	44%	0.44	22%	0.216	S	C	.	.	H	α-helix	trans	-62.3	-37.6	176.1	-179.9	62.6	0	0	0	109.8	K64 I65 E66 D690	L62-K64 VanDerWaalsContact C-N 3.31Å; L62-K64 PolarHBondContact O-N 3.44Å; L62-I65 CarbonylContact O-C 3.22Å; L62-I65 WeakPolarHBondContact O-CA 3.22Å; L62-I65 WeakPolarHBondContact O-CB 3.4Å; L62-I65 PolarHBondContact O-N 3.5Å; L62-E66 HydrophobicContact CD1-CG 4.35Å; L62-E66 HydrophobicContact CG-CG 4.16Å; L62-E66 WeakPolarHBondContact O-CB 3.3Å; L62-E66 WeakPolarHBondContact O-CG 2.96Å; L62-E66 PolarHBondContact O-N 2.66Å; L62-D690 WeakPolarHBondContact CA-OD2 3.17Å; L62-D690 WeakPolarHBondContact CB-OD2 3.22Å; L62-D690 PolarHBondContact N-OD2 2.96Å
63	A	86	Confident	86.7	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-57.3	-39	175.3	0	0	0	0	0	113	S61 E66 R67 F682 F686 V687 D690	S61-A63 PolarHBondContact O-N 3.41Å; A63-E66 WeakPolarHBondContact CA-OE2 2.83Å; A63-R67 VanDerWaalsContact O-CB 3.31Å; A63-R67 WeakPolarHBondContact O-CB 3.4Å; A63-R67 PolarHBondContact O-N 2.91Å; A63-F682 HydrophobicContact CB-CE2 4.47Å; A63-F682 WeakPolarHBondContact O-CE2 3.38Å; A63-F686 HydrophobicContact CB-CB 4.14Å; A63-V687 HydrophobicContact CB-CG2 4.14Å; A63-D690 HydrophobicContact CB-CB 3.85Å; A63-D690 PolarHBondContact N-OD2 3.49Å
64	K	87.7	Confident	86.5	Confident	24 Å²	24	42.4 Å²	42.4	10%	0.104	22%	0.218	C	C	.	.	H	α-helix	trans	-69.3	-34.2	175.6	-77.7	177.9	176	171.7	0	112.3	E53 A57 P58 Q59 S61 L62 N68 V687	E53-K64 WeakPolarHBondContact OE1-CE 3.49Å; A57-K64 PolarHBondContact O-NZ 3.32Å; P58-K64 WeakPolarHBondContact O-CD 3.26Å; P58-K64 VanDerWaalsContact O-CE 3.28Å; P58-K64 WeakPolarHBondContact O-CE 3.4Å; P58-K64 PolarHBondContact O-NZ 2.95Å; Q59-K64 WeakPolarHBondContact O-CD 3.43Å; S61-K64 PolarHBondContact O-N 3.42Å; S61-K64 WeakPolarHBondContact OG-CG 3.34Å; S61-K64 PolarHBondContact OG-N 3.36Å; L62-K64 VanDerWaalsContact C-N 3.31Å; L62-K64 PolarHBondContact O-N 3.44Å; K64-N68 VanDerWaalsContact O-CG 3.26Å; K64-N68 PolarHBondContact O-N 2.95Å; K64-N68 VanDerWaalsContact O-N 3.11Å; K64-N68 PolarHBondContact O-ND2 3.05Å; K64-V687 HydrophobicContact CD-CG1 4.44Å; K64-V687 HydrophobicContact CG-CG1 4Å; K64-V687 HydrophobicContact CG-CG2 4.39Å
65	I	89.1	Confident	85.7	Confident	109 Å²	109	41 Å²	41	56%	0.559	22%	0.216	S	C	*	.	H	α-helix	trans	-69.6	-47.6	175	-60.8	170.1	0	0	0	110.3	S61 L62 R67 N68 L69	S61-I65 PolarHBondContact O-N 3.1Å; L62-I65 CarbonylContact O-C 3.22Å; L62-I65 WeakPolarHBondContact O-CA 3.22Å; L62-I65 WeakPolarHBondContact O-CB 3.4Å; L62-I65 PolarHBondContact O-N 3.5Å; I65-R67 VanDerWaalsContact C-N 3.3Å; I65-R67 PolarHBondContact O-N 2.73Å; I65-N68 PolarHBondContact O-N 2.65Å; I65-N68 VanDerWaalsContact O-N 3.12Å; I65-L69 PolarHBondContact O-N 3.43Å
66	E	87.9	Confident	84.5	Confident	12 Å²	12	42.4 Å²	42.4	6%	0.056	22%	0.224	C	C	.	.	H	α-helix	trans	-55.8	-45.4	174.2	-72	167.5	157.3	0	0	110.3	L62 A63 N68 L69 V70 R669 F682	L62-E66 HydrophobicContact CD1-CG 4.35Å; L62-E66 HydrophobicContact CG-CG 4.16Å; L62-E66 WeakPolarHBondContact O-CB 3.3Å; L62-E66 WeakPolarHBondContact O-CG 2.96Å; L62-E66 PolarHBondContact O-N 2.66Å; A63-E66 WeakPolarHBondContact CA-OE2 2.83Å; E66-N68 PolarHBondContact O-N 2.85Å; E66-L69 PolarHBondContact O-N 3.09Å; E66-V70 VanDerWaalsContact O-CB 3.22Å; E66-V70 WeakPolarHBondContact O-CB 3.46Å; E66-V70 WeakPolarHBondContact O-CG2 3.3Å; E66-V70 PolarHBondContact O-N 3.36Å; E66-R669 IonicContact OE1-CZ 3.29Å; E66-R669 IonicContact OE1-NE 3.55Å; E66-R669 PolarHBondContact OE1-NE 2.97Å; E66-R669 IonicContact OE1-NH2 3.32Å; E66-R669 IonicContact OE2-CZ 2.65Å; E66-R669 IonicContact OE2-NE 2.82Å; E66-R669 IonicContact OE2-NH2 3.31Å; E66-R669 PolarHBondContact OE2-NH2 2.88Å; E66-F682 HydrophobicContact CB-CD2 3.88Å
67	R	86.9	Confident	83.1	Confident	35 Å²	35	47.5 Å²	47.5	13%	0.132	25%	0.251	C	S	.	.	H	α-helix	trans	-56	-47.8	174	-173.1	172.3	66.1	-175.4	-4.2	112.5	E53 A63 I65 V70 N71 Q88 F682	E53-R67 IonicContact OE1-CZ 3.38Å; E53-R67 VanDerWaalsContact OE1-CZ 3.24Å; E53-R67 IonicContact OE1-NH1 3.55Å; E53-R67 PolarHBondContact OE1-NH1 2.86Å; E53-R67 IonicContact OE1-NH2 3.56Å; E53-R67 PolarHBondContact OE1-NH2 2.85Å; E53-R67 IonicContact OE2-CZ 3.38Å; E53-R67 IonicContact OE2-NH1 2.77Å; E53-R67 PolarHBondContact OE2-NH1 2.99Å; A63-R67 VanDerWaalsContact O-CB 3.31Å; A63-R67 WeakPolarHBondContact O-CB 3.4Å; A63-R67 PolarHBondContact O-N 2.91Å; I65-R67 VanDerWaalsContact C-N 3.3Å; I65-R67 PolarHBondContact O-N 2.73Å; R67-V70 PolarHBondContact O-N 3.44Å; R67-N71 VanDerWaalsContact O-CB 3.29Å; R67-N71 WeakPolarHBondContact O-CB 3.37Å; R67-N71 VanDerWaalsContact O-CG 3.24Å; R67-N71 PolarHBondContact O-N 2.95Å; R67-N71 PolarHBondContact O-ND2 3.48Å; R67-Q88 VanDerWaalsContact CD-O 3.25Å; R67-Q88 WeakPolarHBondContact CD-O 3.42Å; R67-Q88 WeakPolarHBondContact CG-O 3.36Å; R67-F682 HydrophobicContact CB-CD2 4.43Å; R67-F682 HydrophobicContact CB-CE1 4.01Å; R67-F682 HydrophobicContact CB-CE2 3.65Å; R67-F682 HydrophobicContact CB-CZ 3.4Å; R67-F682 VanDerWaalsContact CB-CZ 3.4Å; R67-F682 HydrophobicContact CG-CE1 3.94Å; R67-F682 HydrophobicContact CG-CE2 4.37Å; R67-F682 HydrophobicContact CG-CZ 3.62Å
68	N	87.6	Confident	81.3	Confident	101 Å²	101	57.2 Å²	57.2	54%	0.54	29%	0.288	S	S	.	.	H	α-helix	trans	-65.1	-41.1	-178.9	-71.2	-16.8	0	0	0	111.4	K64 I65 E66 S72	K64-N68 VanDerWaalsContact O-CG 3.26Å; K64-N68 PolarHBondContact O-N 2.95Å; K64-N68 VanDerWaalsContact O-N 3.11Å; K64-N68 PolarHBondContact O-ND2 3.05Å; I65-N68 PolarHBondContact O-N 2.65Å; I65-N68 VanDerWaalsContact O-N 3.12Å; E66-N68 PolarHBondContact O-N 2.85Å; N68-S72 WeakPolarHBondContact O-CB 3.25Å; N68-S72 PolarHBondContact O-N 3.42Å
69	L	87.1	Confident	79.3	Confident	66 Å²	66	58 Å²	58	35%	0.346	29%	0.293	S	S	.	.	H	α-helix	trans	-63.7	-47.4	175.3	-179.5	59	0	0	0	111.1	I65 E66 N71 S72 L73 I680	I65-L69 PolarHBondContact O-N 3.43Å; E66-L69 PolarHBondContact O-N 3.09Å; L69-N71 PolarHBondContact O-N 3.24Å; L69-S72 WeakPolarHBondContact O-CB 3.47Å; L69-S72 PolarHBondContact O-N 3.25Å; L69-S72 VanDerWaalsContact O-N 3.09Å; L69-S72 PolarHBondContact O-OG 2.82Å; L69-L73 HydrophobicContact CD1-CD1 4.24Å; L69-L73 HydrophobicContact CD1-CG 4.46Å; L69-L73 HydrophobicContact CG-CD1 4.23Å; L69-L73 WeakPolarHBondContact O-CG 3.33Å; L69-L73 PolarHBondContact O-N 3.28Å; L69-I680 HydrophobicContact CB-CD1 4.46Å; L69-I680 HydrophobicContact CD2-CD1 3.72Å; L69-I680 HydrophobicContact CD2-CG2 4.48Å; L69-I680 HydrophobicContact CG-CD1 4Å
70	V	86.1	Confident	77.5	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59.7	-46.2	176.9	163.4	0	0	0	0	111.4	E66 R67 S72 L73 F74 Q88 Y559 I680 F682	E66-V70 VanDerWaalsContact O-CB 3.22Å; E66-V70 WeakPolarHBondContact O-CB 3.46Å; E66-V70 WeakPolarHBondContact O-CG2 3.3Å; E66-V70 PolarHBondContact O-N 3.36Å; R67-V70 PolarHBondContact O-N 3.44Å; V70-S72 VanDerWaalsContact C-N 3.26Å; V70-S72 PolarHBondContact O-N 3.15Å; V70-L73 PolarHBondContact O-N 3Å; V70-F74 PolarHBondContact O-N 3.39Å; V70-Q88 HydrophobicContact CG1-CB 4Å; V70-Q88 HydrophobicContact CG1-CG 3.36Å; V70-Q88 VanDerWaalsContact CG1-NE2 3.3Å; V70-Y559 HydrophobicContact CG1-CD1 4.39Å; V70-Y559 HydrophobicContact CG1-CE1 3.67Å; V70-Y559 HydrophobicContact CG1-CE2 3.98Å; V70-Y559 VanDerWaalsContact CG1-CZ 3.44Å; V70-Y559 WeakPolarHBondContact CG1-OH 3.35Å; V70-Y559 HydrophobicContact CG2-CD1 4.26Å; V70-Y559 HydrophobicContact CG2-CD2 3.67Å; V70-Y559 HydrophobicContact CG2-CE1 4.22Å; V70-Y559 HydrophobicContact CG2-CE2 3.63Å; V70-Y559 HydrophobicContact CG2-CG 4Å; V70-I680 HydrophobicContact CG2-CD1 3.51Å; V70-I680 HydrophobicContact CG2-CG1 4.27Å; V70-F682 HydrophobicContact CG1-CD1 4.29Å; V70-F682 HydrophobicContact CG2-CB 4.02Å; V70-F682 HydrophobicContact CG2-CG 4.38Å
71	N	81.9	Confident	75.8	Confident	37 Å²	37	52.8 Å²	52.8	20%	0.198	27%	0.268	C	S	.	.	H	α-helix	trans	-62	-31.5	174.7	-78.1	-24.6	0	0	0	112.6	R67 L69 P75 Q88 T89	R67-N71 VanDerWaalsContact O-CB 3.29Å; R67-N71 WeakPolarHBondContact O-CB 3.37Å; R67-N71 VanDerWaalsContact O-CG 3.24Å; R67-N71 PolarHBondContact O-N 2.95Å; R67-N71 PolarHBondContact O-ND2 3.48Å; L69-N71 PolarHBondContact O-N 3.24Å; N71-P75 WeakPolarHBondContact O-CA 3.09Å; N71-P75 VanDerWaalsContact O-CB 3.31Å; N71-P75 WeakPolarHBondContact O-CB 3.43Å; N71-Q88 VanDerWaalsContact OD1-CB 3.28Å; N71-Q88 WeakPolarHBondContact OD1-CB 3.31Å; N71-Q88 PolarHBondContact OD1-OE1 3.35Å; N71-T89 WeakPolarHBondContact ND2-CG2 3.47Å
72	S	85	Confident	74.2	Confident	84 Å²	84	54.6 Å²	54.6	59%	0.587	27%	0.274	S	S	*	.	H	α-helix	trans	-74.8	-37.5	178.4	77.6	0	0	0	0	112.7	N68 L69 V70	N68-S72 WeakPolarHBondContact O-CB 3.25Å; N68-S72 PolarHBondContact O-N 3.42Å; L69-S72 WeakPolarHBondContact O-CB 3.47Å; L69-S72 PolarHBondContact O-N 3.25Å; L69-S72 VanDerWaalsContact O-N 3.09Å; L69-S72 PolarHBondContact O-OG 2.82Å; V70-S72 VanDerWaalsContact C-N 3.26Å; V70-S72 PolarHBondContact O-N 3.15Å
73	L	82.9	Confident	72.3	Confident	46 Å²	46	51.8 Å²	51.8	24%	0.241	26%	0.259	C	S	.	.	H	α-helix	trans	-77.5	-46.8	178.4	-68	170.5	0	0	0	110.9	L69 V70 P75 I631 A644	L69-L73 HydrophobicContact CD1-CD1 4.24Å; L69-L73 HydrophobicContact CD1-CG 4.46Å; L69-L73 HydrophobicContact CG-CD1 4.23Å; L69-L73 WeakPolarHBondContact O-CG 3.33Å; L69-L73 PolarHBondContact O-N 3.28Å; V70-L73 PolarHBondContact O-N 3Å; L73-P75 WeakPolarHBondContact O-CD 3.04Å; L73-I631 WeakPolarHBondContact O-CD1 3.24Å; L73-A644 HydrophobicContact CD2-CB 4.5Å
74	F	81.7	Confident	70.5	Confident	5 Å²	5	52.9 Å²	52.9	2%	0.022	26%	0.263	C	S	.	.	S	Bend	trans	-128.6	66.9	-172.9	-63.1	-82.6	0	0	0	111.5	V70 V76 S79 Q88 Y559 I631 A644 R646	V70-F74 PolarHBondContact O-N 3.39Å; F74-V76 PolarHBondContact O-N 3.48Å; F74-S79 PolarHBondContact O-OG 2.91Å; F74-Q88 VanDerWaalsContact O-CD 3.3Å; F74-Q88 PolarHBondContact O-NE2 3.19Å; F74-Q88 PolarHBondContact O-OE1 2.72Å; F74-Y559 AromaticContact CD2-CD1 3.61Å; F74-Y559 HydrophobicContact CD2-CD1 3.61Å; F74-Y559 AromaticContact CD2-CE1 3.95Å; F74-Y559 HydrophobicContact CD2-CE1 3.95Å; F74-Y559 AromaticContact CE2-CD1 3.79Å; F74-Y559 HydrophobicContact CE2-CD1 3.79Å; F74-I631 HydrophobicContact CD1-CD1 4.34Å; F74-I631 HydrophobicContact CD1-CG1 4.49Å; F74-I631 HydrophobicContact CE1-CD1 3.93Å; F74-I631 HydrophobicContact CE1-CG1 3.78Å; F74-I631 HydrophobicContact CE2-CD1 4.41Å; F74-I631 HydrophobicContact CZ-CD1 3.95Å; F74-I631 HydrophobicContact CZ-CG1 4.01Å; F74-A644 HydrophobicContact CZ-CB 4.39Å; F74-R646 HydrophobicContact CD1-CG 4.19Å; F74-R646 HydrophobicContact CD2-CB 4.48Å; F74-R646 HydrophobicContact CE1-CB 4.38Å; F74-R646 HydrophobicContact CE1-CG 3.89Å; F74-R646 HydrophobicContact CE2-CB 4.02Å; F74-R646 HydrophobicContact CE2-CG 4.36Å; F74-R646 HydrophobicContact CZ-CB 3.97Å; F74-R646 HydrophobicContact CZ-CG 3.99Å
75	P	73.7	Confident	68.5	Low	42 Å²	42	52.8 Å²	52.8	27%	0.273	27%	0.266	S	S	.	.			trans	-62.3	131.7	-174.3	21.2	-30.1	0	0	0	111.9	N71 L73 N77 R78 S79	N71-P75 WeakPolarHBondContact O-CA 3.09Å; N71-P75 VanDerWaalsContact O-CB 3.31Å; N71-P75 WeakPolarHBondContact O-CB 3.43Å; L73-P75 WeakPolarHBondContact O-CD 3.04Å; P75-N77 PolarHBondContact O-N 2.94Å; P75-N77 VanDerWaalsContact O-N 3.16Å; P75-R78 HydrophobicContact CG-CB 4.04Å; P75-R78 HydrophobicContact CG-CG 4.07Å; P75-R78 PolarHBondContact O-N 3.39Å; P75-S79 WeakPolarHBondContact O-CB 3.48Å; P75-S79 PolarHBondContact O-N 3.34Å; P75-S79 PolarHBondContact O-OG 2.89Å
76	V	64.4	Low	66.5	Low	31 Å²	31	48.5 Å²	48.5	19%	0.188	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-37.6	-178.8	-177.7	0	0	0	0	112.4	F74 R78 S79 L87 Q88	F74-V76 PolarHBondContact O-N 3.48Å; V76-R78 VanDerWaalsContact C-N 3.29Å; V76-R78 PolarHBondContact O-N 2.86Å; V76-S79 PolarHBondContact O-N 2.96Å; V76-S79 VanDerWaalsContact O-O 3.1Å; V76-L87 HydrophobicContact CG1-CD2 4.41Å; V76-Q88 HydrophobicContact CG2-CB 4.25Å
77	N	58.5	Low	64.6	Low	109 Å²	109	48.8 Å²	48.8	58%	0.583	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-22.4	179.2	-77.2	-17.7	0	0	0	114.3	P75	P75-N77 PolarHBondContact O-N 2.94Å; P75-N77 VanDerWaalsContact O-N 3.16Å
78	R	48.5	Very low	62.8	Low	204 Å²	204	47.3 Å²	47.3	77%	0.77	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-27	173	-63.6	-173	172.5	179.7	-1.5	112.6	P75 V76 K80	P75-R78 HydrophobicContact CG-CB 4.04Å; P75-R78 HydrophobicContact CG-CG 4.07Å; P75-R78 PolarHBondContact O-N 3.39Å; V76-R78 VanDerWaalsContact C-N 3.29Å; V76-R78 PolarHBondContact O-N 2.86Å; R78-K80 PolarHBondContact O-N 2.68Å
79	S	47.8	Very low	61	Low	17 Å²	17	44.6 Å²	44.6	12%	0.119	23%	0.227	C	C	.	.			trans	-82.4	89.8	-179.4	-44.6	0	0	0	0	108.4	F74 P75 V76 H81 E628	F74-S79 PolarHBondContact O-OG 2.91Å; P75-S79 WeakPolarHBondContact O-CB 3.48Å; P75-S79 PolarHBondContact O-N 3.34Å; P75-S79 PolarHBondContact O-OG 2.89Å; V76-S79 PolarHBondContact O-N 2.96Å; V76-S79 VanDerWaalsContact O-O 3.1Å; S79-H81 PolarHBondContact O-N 3.07Å; S79-E628 WeakPolarHBondContact CA-OE2 3.32Å
80	K	49.7	Very low	59.5	Low	69 Å²	69	43.9 Å²	43.9	30%	0.3	23%	0.227	S	C	.	.			trans	-80.7	45.2	-174.3	-67.8	167.6	170.4	-177.3	0	111.3	R78 L142 N143 N144 I149 E628	R78-K80 PolarHBondContact O-N 2.68Å; K80-L142 WeakPolarHBondContact CG-O 3.34Å; K80-N143 PolarHBondContact O-OD1 2.72Å; K80-N144 HydrophobicContact CD-CB 4.42Å; K80-N144 WeakPolarHBondContact CD-OD1 3.37Å; K80-N144 PolarHBondContact NZ-OD1 2.94Å; K80-I149 VanDerWaalsContact C-CD1 3.43Å; K80-I149 VanDerWaalsContact O-CD1 3.25Å; K80-I149 WeakPolarHBondContact O-CD1 3.31Å; K80-E628 PolarHBondContact N-OE2 2.88Å
81	H	48.3	Very low	58.9	Low	23 Å²	23	45.6 Å²	45.6	11%	0.106	25%	0.245	C	C	.	.			trans	-96.4	142.7	-172.5	-92.3	43.4	0	0	0	115	S79 L83 D86 H625 E628 D629	S79-H81 PolarHBondContact O-N 3.07Å; H81-L83 VanDerWaalsContact C-N 3.33Å; H81-D86 WeakPolarHBondContact CB-OD2 3.31Å; H81-H625 PolarHBondContact CE1-O 3.18Å; H81-H625 PolarHBondContact NE2-O 3.48Å; H81-E628 VanDerWaalsContact CE1-CB 3.46Å; H81-E628 WeakPolarHBondContact CE1-CB 3.25Å; H81-E628 IonicContact CE1-OE2 3.31Å; H81-E628 IonicContact ND1-OE2 3.58Å; H81-E628 PolarHBondContact ND1-OE2 3.48Å; H81-D629 IonicContact NE2-OD1 2.65Å; H81-D629 IonicContact NE2-OD2 3.99Å
82	R	50.9	Low	59.1	Low	48 Å²	48	44.8 Å²	44.8	18%	0.181	24%	0.239	C	C	.	.			trans	-75.6	-13.8	173.5	-80.9	171.6	-176	-174.9	2.3	113.7	Y84 I149 D152	R82-Y84 WeakPolarHBondContact O-CD2 3.41Å; R82-Y84 WeakPolarHBondContact O-CE1 3.44Å; R82-Y84 WeakPolarHBondContact O-CE2 3.4Å; R82-Y84 PolarHBondContact O-N 3.48Å; R82-Y84 PolarHBondContact O-OH 2.03Å; R82-I149 HydrophobicContact CB-CG2 4.24Å; R82-I149 HydrophobicContact CG-CB 4.36Å; R82-I149 HydrophobicContact CG-CG1 4.24Å; R82-I149 HydrophobicContact CG-CG2 3.75Å; R82-D152 IonicContact NH1-OD1 3.55Å
83	L	46.9	Very low	59.3	Low	25 Å²	25	42 Å²	42	13%	0.131	22%	0.215	C	C	.	.			trans	-69.3	114.9	-171.7	-88.9	124.7	0	0	0	111.1	H81 S85 D86 I585 F648	H81-L83 VanDerWaalsContact C-N 3.33Å; L83-S85 PolarHBondContact O-N 3.15Å; L83-D86 VanDerWaalsContact CB-CG 3.48Å; L83-D86 VanDerWaalsContact CB-OD1 3.25Å; L83-D86 WeakPolarHBondContact CB-OD1 3.45Å; L83-D86 WeakPolarHBondContact CB-OD2 3.47Å; L83-D86 VanDerWaalsContact O-CB 3.23Å; L83-D86 WeakPolarHBondContact O-CB 3.32Å; L83-D86 PolarHBondContact O-N 3.28Å; L83-I585 HydrophobicContact CD2-CD1 3.52Å; L83-I585 HydrophobicContact CD2-CG2 3.94Å; L83-F648 HydrophobicContact CD2-CD2 4.48Å
84	Y	48.4	Very low	59.7	Low	23 Å²	23	39.8 Å²	39.8	9%	0.09	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	0.6	-165.3	-57.9	-71.9	0	0	0	116.2	R82 V150 D151 D152 Q191 Y214	R82-Y84 WeakPolarHBondContact O-CD2 3.41Å; R82-Y84 WeakPolarHBondContact O-CE1 3.44Å; R82-Y84 WeakPolarHBondContact O-CE2 3.4Å; R82-Y84 PolarHBondContact O-N 3.48Å; R82-Y84 PolarHBondContact O-OH 2.03Å; Y84-V150 PolarHBondContact OH-O 3Å; Y84-D151 HydrophobicContact CD1-CB 4.17Å; Y84-D151 VanDerWaalsContact CD1-OD1 3.25Å; Y84-D151 WeakPolarHBondContact CD1-OD1 3.42Å; Y84-D151 HydrophobicContact CE1-CB 3.71Å; Y84-D151 WeakPolarHBondContact CE1-OD1 3.42Å; Y84-D151 WeakPolarHBondContact CE2-OD1 3.14Å; Y84-D151 VanDerWaalsContact CZ-CA 3.42Å; Y84-D151 VanDerWaalsContact OH-CA 3.31Å; Y84-D151 WeakPolarHBondContact OH-CA 3.46Å; Y84-D152 HydrophobicContact CE2-CB 4.1Å; Y84-D152 WeakPolarHBondContact CE2-OD2 3.4Å; Y84-D152 PolarHBondContact OH-N 2.86Å; Y84-D152 PolarHBondContact OH-OD2 2.94Å; Y84-Q191 VanDerWaalsContact CG-NE2 3.25Å; Y84-Y214 HydrophobicContact CD1-CE2 4.06Å; Y84-Y214 PolarHBondContact O-OH 3.12Å
85	S	45.8	Very low	60.2	Low	23 Å²	23	41.5 Å²	41.5	16%	0.161	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117	-8.8	-178	41.1	0	0	0	0	114.1	L83 L87 V555	L83-S85 PolarHBondContact O-N 3.15Å; S85-L87 PolarHBondContact O-N 2.76Å; S85-L87 VanDerWaalsContact O-N 3.13Å; S85-V555 WeakPolarHBondContact OG-CB 3.43Å; S85-V555 WeakPolarHBondContact OG-CG1 3.48Å
86	D	46.5	Very low	61.3	Low	19 Å²	19	39.5 Å²	39.5	10%	0.102	20%	0.198	C	C	.	.			trans	-76.6	-0.9	-166.2	-69.2	10.1	0	0	0	113.7	H81 L83 Q88 F648	H81-D86 WeakPolarHBondContact CB-OD2 3.31Å; L83-D86 VanDerWaalsContact CB-CG 3.48Å; L83-D86 VanDerWaalsContact CB-OD1 3.25Å; L83-D86 WeakPolarHBondContact CB-OD1 3.45Å; L83-D86 WeakPolarHBondContact CB-OD2 3.47Å; L83-D86 VanDerWaalsContact O-CB 3.23Å; L83-D86 WeakPolarHBondContact O-CB 3.32Å; L83-D86 PolarHBondContact O-N 3.28Å; D86-Q88 PolarHBondContact O-N 2.84Å; D86-F648 VanDerWaalsContact CG-CZ 3.47Å; D86-F648 WeakPolarHBondContact OD1-CE1 3.44Å; D86-F648 WeakPolarHBondContact OD1-CZ 3.47Å
87	L	48.4	Very low	62.8	Low	18 Å²	18	38 Å²	38	9%	0.094	19%	0.189	C	C	.	.			trans	-66.3	81.7	175.3	-81.3	-178.9	0	0	0	109.2	V76 S85 T89 P90 Y93 Y214 P684	V76-L87 HydrophobicContact CG1-CD2 4.41Å; S85-L87 PolarHBondContact O-N 2.76Å; S85-L87 VanDerWaalsContact O-N 3.13Å; L87-T89 CarbonylContact C-O 3.51Å; L87-T89 WeakPolarHBondContact CA-O 3.48Å; L87-T89 WeakPolarHBondContact CB-O 3.4Å; L87-T89 WeakPolarHBondContact CD2-O 3.44Å; L87-T89 CarbonylContact O-C 3.46Å; L87-T89 PolarHBondContact O-N 2.88Å; L87-T89 VanDerWaalsContact O-N 3.13Å; L87-P90 WeakPolarHBondContact CD1-O 3.43Å; L87-Y93 HydrophobicContact CD1-CD1 4.16Å; L87-Y214 HydrophobicContact CD1-CD1 3.51Å; L87-Y214 HydrophobicContact CD1-CE1 3.12Å; L87-Y214 HydrophobicContact CD2-CD1 4.26Å; L87-Y214 HydrophobicContact CG-CD1 4.03Å; L87-Y214 HydrophobicContact CG-CE1 3.78Å; L87-P684 WeakPolarHBondContact O-CG 3.39Å
88	Q	48.1	Very low	64.6	Low	4 Å²	4	32.9 Å²	32.9	2%	0.019	16%	0.161	C	C	.	.	S	Bend	trans	-54.7	-28.5	170.8	-60.9	165.3	-0.5	0	0	110.5	R67 V70 N71 F74 V76 D86 F682	R67-Q88 VanDerWaalsContact CD-O 3.25Å; R67-Q88 WeakPolarHBondContact CD-O 3.42Å; R67-Q88 WeakPolarHBondContact CG-O 3.36Å; V70-Q88 HydrophobicContact CG1-CB 4Å; V70-Q88 HydrophobicContact CG1-CG 3.36Å; V70-Q88 VanDerWaalsContact CG1-NE2 3.3Å; N71-Q88 VanDerWaalsContact OD1-CB 3.28Å; N71-Q88 WeakPolarHBondContact OD1-CB 3.31Å; N71-Q88 PolarHBondContact OD1-OE1 3.35Å; F74-Q88 VanDerWaalsContact O-CD 3.3Å; F74-Q88 PolarHBondContact O-NE2 3.19Å; F74-Q88 PolarHBondContact O-OE1 2.72Å; V76-Q88 HydrophobicContact CG2-CB 4.25Å; D86-Q88 PolarHBondContact O-N 2.84Å; Q88-F682 HydrophobicContact CB-CE1 4.35Å; Q88-F682 VanDerWaalsContact O-CE1 3.3Å; Q88-F682 WeakPolarHBondContact O-CE1 3.23Å
89	T	50.1	Low	66.9	Low	43 Å²	43	23.3 Å²	23.3	26%	0.264	13%	0.125	S	C	.	.	S	Bend	trans	-117.7	141	163.2	55.8	0	0	0	0	108.4	N71 L87 G91	N71-T89 WeakPolarHBondContact ND2-CG2 3.47Å; L87-T89 CarbonylContact C-O 3.51Å; L87-T89 WeakPolarHBondContact CA-O 3.48Å; L87-T89 WeakPolarHBondContact CB-O 3.4Å; L87-T89 WeakPolarHBondContact CD2-O 3.44Å; L87-T89 CarbonylContact O-C 3.46Å; L87-T89 PolarHBondContact O-N 2.88Å; L87-T89 VanDerWaalsContact O-N 3.13Å; T89-G91 PolarHBondContact O-N 2.78Å
90	P	55.1	Low	69	Low	51 Å²	51	23 Å²	23	33%	0.331	12%	0.123	S	C	.	.			trans	-55.9	-27	178.9	20.4	-30.6	0	0	0	112.8	L87 Y93	L87-P90 WeakPolarHBondContact CD1-O 3.43Å; P90-Y93 HydrophobicContact CB-CE1 4.06Å; P90-Y93 WeakPolarHBondContact O-CD1 3.41Å; P90-Y93 WeakPolarHBondContact O-CE1 3.2Å
91	G	75	Confident	70.8	Confident	37 Å²	37	25.5 Å²	25.5	38%	0.381	13%	0.134	S	C	.	.			trans	53.5	-162	-178.4	0	0	0	0	0	111.8	T89 S254	T89-G91 PolarHBondContact O-N 2.78Å; G91-S254 WeakPolarHBondContact O-CB 3.43Å
92	R	86.3	Confident	72.6	Confident	20 Å²	20	32.6 Å²	32.6	8%	0.075	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	138.6	170.4	-72.5	-167.2	178	-101.8	13.9	110.4	L215 D223 A226 E227 E230 S255	R92-L215 HydrophobicContact CB-CB 3.9Å; R92-L215 HydrophobicContact CB-CD1 4.2Å; R92-L215 WeakPolarHBondContact O-CB 3.35Å; R92-L215 PolarHBondContact O-N 3.05Å; R92-D223 IonicContact CZ-OD1 3.11Å; R92-D223 IonicContact CZ-OD2 3.33Å; R92-D223 VanDerWaalsContact NE-CG 3.34Å; R92-D223 PolarHBondContact NE-O 3.19Å; R92-D223 IonicContact NE-OD1 2.72Å; R92-D223 PolarHBondContact NE-OD1 3.44Å; R92-D223 IonicContact NE-OD2 3.38Å; R92-D223 IonicContact NH2-OD1 2.63Å; R92-D223 IonicContact NH2-OD2 2.97Å; R92-D223 PolarHBondContact NH2-OD2 2.94Å; R92-A226 HydrophobicContact CB-CB 4.33Å; R92-A226 VanDerWaalsContact CD-CB 3.45Å; R92-E227 IonicContact CZ-OE2 3.88Å; R92-E227 VanDerWaalsContact NH1-CA 3.32Å; R92-E227 VanDerWaalsContact NH1-CB 3.27Å; R92-E227 IonicContact NH1-OE2 2.72Å; R92-E227 IonicContact NH2-OE2 3.25Å; R92-E227 PolarHBondContact NH2-OE2 2.84Å; R92-E230 IonicContact NH1-OE2 2.89Å; R92-E230 PolarHBondContact NH1-OE2 2.72Å; R92-S255 PolarHBondContact NH1-OG 3.27Å; R92-S255 VanDerWaalsContact NH1-OG 3.12Å
93	Y	88.1	Confident	74.1	Confident	24 Å²	24	37 Å²	37	9%	0.094	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	156.5	-178.7	62.3	-91.8	0	0	0	112.3	L87 P90 R95 Y213 E230 Y252 T253 S254	L87-Y93 HydrophobicContact CD1-CD1 4.16Å; P90-Y93 HydrophobicContact CB-CE1 4.06Å; P90-Y93 WeakPolarHBondContact O-CD1 3.41Å; P90-Y93 WeakPolarHBondContact O-CE1 3.2Å; Y93-R95 HydrophobicContact CD2-CB 4.47Å; Y93-R95 HydrophobicContact CD2-CG 3.76Å; Y93-R95 HydrophobicContact CE2-CG 3.98Å; Y93-Y213 CarbonylContact C-O 3.51Å; Y93-Y213 WeakPolarHBondContact CA-O 3.33Å; Y93-Y213 WeakPolarHBondContact CB-O 3.32Å; Y93-E230 PolarHBondContact N-OE1 3.06Å; Y93-Y252 AromaticContact CE2-CD1 4Å; Y93-Y252 HydrophobicContact CE2-CD1 4Å; Y93-Y252 HydrophobicContact CE2-CE1 4.16Å; Y93-T253 WeakPolarHBondContact O-CA 3.44Å; Y93-T253 WeakPolarHBondContact O-CB 3.45Å; Y93-S254 PolarHBondContact O-N 3.28Å; Y93-S254 VanDerWaalsContact O-N 3.12Å
94	G	92	Very high	76.1	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133.3	163.2	0	0	0	0	0	110.7	T212 Y213 Y252	G94-T212 CarbonylContact O-C 3.53Å; G94-T212 WeakPolarHBondContact O-CA 3.41Å; G94-Y213 PolarHBondContact N-O 2.87Å; G94-Y213 PolarHBondContact O-N 3.48Å; G94-Y252 CarbonylContact C-O 3.55Å
95	R	92.4	Very high	78.2	Confident	42 Å²	42	38.3 Å²	38.3	16%	0.158	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	145.8	174.3	-78.6	-178.5	-178.8	166.7	1	109.8	Y93 L211 T212 Y214 F233 P251 Y252 Y541	Y93-R95 HydrophobicContact CD2-CB 4.47Å; Y93-R95 HydrophobicContact CD2-CG 3.76Å; Y93-R95 HydrophobicContact CE2-CG 3.98Å; R95-L211 CarbonylContact C-O 3.56Å; R95-L211 VanDerWaalsContact CA-O 3.31Å; R95-L211 WeakPolarHBondContact CA-O 3.36Å; R95-T212 HydrophobicContact CG-CG2 3.54Å; R95-T212 WeakPolarHBondContact CG-OG1 3.48Å; R95-T212 PolarHBondContact NE-OG1 3.27Å; R95-Y214 PolarHBondContact NH2-OH 3.17Å; R95-F233 WeakPolarHBondContact O-CE1 3.36Å; R95-F233 WeakPolarHBondContact O-CZ 3.23Å; R95-P251 CarbonylContact O-C 3.59Å; R95-P251 WeakPolarHBondContact O-CA 3.4Å; R95-Y252 PolarHBondContact N-O 2.79Å; R95-Y252 PolarHBondContact O-N 3.14Å; R95-Y252 VanDerWaalsContact O-O 3.13Å; R95-Y541 HydrophobicContact CB-CE2 4.05Å; R95-Y541 WeakPolarHBondContact CD-OH 3.17Å
96	V	95.6	Very high	80.5	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	128.6	170.9	57.9	0	0	0	0	109.9	V98 L118 Q210 L211 F233 V237 M249 Y250	V96-V98 HydrophobicContact CG2-CG2 4.08Å; V96-L118 HydrophobicContact CG1-CD2 4.23Å; V96-Q210 WeakPolarHBondContact O-CA 3.46Å; V96-L211 HydrophobicContact CG1-CB 3.93Å; V96-L211 HydrophobicContact CG1-CD1 4.42Å; V96-L211 PolarHBondContact N-O 3.41Å; V96-L211 PolarHBondContact O-N 2.72Å; V96-F233 HydrophobicContact CB-CZ 4.07Å; V96-F233 HydrophobicContact CG1-CZ 4.23Å; V96-V237 HydrophobicContact CG2-CG1 3.79Å; V96-V237 HydrophobicContact CG2-CG2 4.5Å; V96-M249 HydrophobicContact CG2-CB 4.04Å; V96-Y250 WeakPolarHBondContact CA-O 3.28Å
97	I	96	Very high	82.8	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	125.7	166.8	-61.8	167.6	0	0	0	107.6	T99 A208 I209 Q210 M249 Y250 Y541 A544 Q545 F549	I97-T99 HydrophobicContact CG2-CG2 3.85Å; I97-A208 HydrophobicContact CG2-CB 4.22Å; I97-I209 CarbonylContact C-O 3.43Å; I97-Q210 HydrophobicContact CG1-CB 4.23Å; I97-Q210 HydrophobicContact CG1-CG 4.01Å; I97-M249 CarbonylContact O-C 3.57Å; I97-M249 VanDerWaalsContact O-CA 3.31Å; I97-M249 WeakPolarHBondContact O-CA 3.48Å; I97-Y250 HydrophobicContact CB-CD2 4.12Å; I97-Y250 HydrophobicContact CG2-CD2 4.16Å; I97-Y250 PolarHBondContact N-O 2.95Å; I97-Y250 VanDerWaalsContact N-O 3.08Å; I97-Y250 PolarHBondContact O-N 3.29Å; I97-Y541 HydrophobicContact CD1-CD2 3.89Å; I97-Y541 HydrophobicContact CD1-CE2 3.63Å; I97-Y541 HydrophobicContact CG1-CD2 4.24Å; I97-Y541 HydrophobicContact CG1-CE2 3.77Å; I97-A544 HydrophobicContact CD1-CB 4.1Å; I97-Q545 HydrophobicContact CD1-CB 4.1Å; I97-F549 HydrophobicContact CD1-CD2 4.32Å; I97-F549 HydrophobicContact CD1-CE2 4.05Å; I97-F549 HydrophobicContact CG1-CE2 4.06Å; I97-F549 HydrophobicContact CG2-CE2 3.89Å
98	V	96.9	Very high	84.8	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.6	177.6	-174.1	0	0	0	0	108.8	V96 I115 L118 A208 I209 M249	V96-V98 HydrophobicContact CG2-CG2 4.08Å; V98-I115 HydrophobicContact CG1-CD1 4.49Å; V98-I115 HydrophobicContact CG1-CG1 4.19Å; V98-L118 HydrophobicContact CG2-CD2 3.92Å; V98-A208 WeakPolarHBondContact O-CA 3.38Å; V98-I209 PolarHBondContact N-O 2.91Å; V98-I209 PolarHBondContact O-N 3.13Å; V98-M249 HydrophobicContact CG1-CE 4.31Å; V98-M249 HydrophobicContact CG1-CG 4.42Å; V98-M249 HydrophobicContact CG2-CG 4.34Å
99	T	96.1	Very high	86.9	Confident	4 Å²	4	44.1 Å²	44.1	3%	0.025	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	166.6	177.7	76.2	0	0	0	0	110.9	I97 A208 V247 K248 Y250 Y548	I97-T99 HydrophobicContact CG2-CG2 3.85Å; T99-A208 HydrophobicContact CG2-CB 3.74Å; T99-V247 CarbonylContact O-C 3.48Å; T99-V247 VanDerWaalsContact O-CA 3.32Å; T99-V247 WeakPolarHBondContact O-CA 3.28Å; T99-V247 WeakPolarHBondContact O-CB 3.49Å; T99-K248 PolarHBondContact N-O 3.46Å; T99-K248 PolarHBondContact O-N 3.31Å; T99-Y250 HydrophobicContact CG2-CE2 4.03Å; T99-Y548 HydrophobicContact CG2-CD2 4.09Å; T99-Y548 HydrophobicContact CG2-CE2 3.76Å
100	S	93.1	Very high	88.9	Confident	10 Å²	10	46.8 Å²	46.8	7%	0.07	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	145.6	167.8	170.5	0	0	0	0	111.5	Q102 K103	S100-Q102 PolarHBondContact O-N 2.91Å; S100-Q102 PolarHBondContact OG-N 2.78Å; S100-K103 PolarHBondContact O-N 2.97Å
101	F	86.9	Confident	90.7	Very high	121 Å²	121	44.9 Å²	44.9	53%	0.531	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-26.3	170.2	-73	-76.1	0	0	0	113.2	S245 K246 V247 K248	F101-S245 WeakPolarHBondContact CD2-O 3.48Å; F101-S245 VanDerWaalsContact CE2-O 3.26Å; F101-S245 WeakPolarHBondContact CE2-O 3.4Å; F101-K246 WeakPolarHBondContact CD2-O 3.27Å; F101-K246 PolarHBondContact N-O 3.26Å; F101-V247 VanDerWaalsContact CE2-O 3.28Å; F101-V247 WeakPolarHBondContact CE2-O 3.32Å; F101-K248 HydrophobicContact CE1-CB 4.09Å; F101-K248 HydrophobicContact CE1-CD 3.78Å; F101-K248 HydrophobicContact CE1-CG 4.31Å; F101-K248 HydrophobicContact CE2-CB 4.08Å; F101-K248 HydrophobicContact CZ-CB 3.82Å; F101-K248 HydrophobicContact CZ-CD 4.1Å; F101-K248 HydrophobicContact CZ-CG 4.14Å
102	Q	85.3	Confident	91.7	Very high	173 Å²	173	43.2 Å²	43.2	81%	0.808	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103	16	-174.1	-63.9	-178.2	-15.3	0	0	113.4	S100 A104	S100-Q102 PolarHBondContact O-N 2.91Å; S100-Q102 PolarHBondContact OG-N 2.78Å; Q102-A104 PolarHBondContact O-N 3.19Å
103	K	83.2	Confident	92.1	Very high	141 Å²	141	44 Å²	44	61%	0.613	21%	0.21	S	C	*	.			trans	52.4	36.7	-172.4	-58.5	-174.6	177.2	-173.8	0	113	S100	S100-K103 PolarHBondContact O-N 2.97Å
104	A	88.5	Confident	92.4	Very high	26 Å²	26	43.4 Å²	43.4	22%	0.215	21%	0.208	C	C	.	.			trans	-70.1	160.3	176.8	0	0	0	0	0	111.7	Q102 M106	Q102-A104 PolarHBondContact O-N 3.19Å; A104-M106 HydrophobicContact CB-CE 4.14Å; A104-M106 VanDerWaalsContact O-CE 3.31Å; A104-M106 WeakPolarHBondContact O-CE 3.45Å; A104-M106 PolarHBondContact O-N 3.37Å
105	N	93.6	Very high	92.6	Very high	49 Å²	49	43.4 Å²	43.4	26%	0.262	21%	0.208	S	C	.	.			trans	-72.7	113	173.8	-176.4	13.6	0	0	0	110.7	L107 D108 H111 S205 A206	N105-L107 PolarHBondContact O-N 3.29Å; N105-L107 VanDerWaalsContact O-N 3.15Å; N105-L107 WeakPolarHBondContact OD1-CB 3.29Å; N105-L107 PolarHBondContact OD1-N 3.29Å; N105-L107 VanDerWaalsContact OD1-N 3.12Å; N105-D108 VanDerWaalsContact O-CG 3.23Å; N105-D108 PolarHBondContact O-N 3.42Å; N105-H111 PolarHBondContact O-ND1 3.2Å; N105-S205 WeakPolarHBondContact OD1-CA 3.15Å; N105-A206 PolarHBondContact OD1-N 2.86Å; N105-A206 PolarHBondContact OD1-O 3.38Å
106	M	93.9	Very high	92.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-13.6	178.6	-65.2	-60.8	92	0	0	113.4	A104 H111 A206 E207 I209	A104-M106 HydrophobicContact CB-CE 4.14Å; A104-M106 VanDerWaalsContact O-CE 3.31Å; A104-M106 WeakPolarHBondContact O-CE 3.45Å; A104-M106 PolarHBondContact O-N 3.37Å; M106-H111 HydrophobicContact CE-CB 4.23Å; M106-H111 VanDerWaalsContact CE-CD2 3.5Å; M106-H111 WeakPolarHBondContact CE-CD2 3.44Å; M106-H111 WeakPolarHBondContact O-CB 3.49Å; M106-H111 HydrophobicContact SD-CB 4.31Å; M106-A206 PolarHBondContact N-O 2.58Å; M106-E207 VanDerWaalsContact CG-O 3.24Å; M106-E207 WeakPolarHBondContact CG-O 3.43Å; M106-I209 HydrophobicContact CB-CD1 3.7Å; M106-I209 HydrophobicContact CB-CG1 3.77Å
107	L	93.1	Very high	92.8	Very high	10 Å²	10	49.4 Å²	49.4	5%	0.052	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-2.5	174.8	-61.4	173.8	0	0	0	113.2	N105 T112 L157 L160 R164 I173 L192 V203 A206 I209	N105-L107 PolarHBondContact O-N 3.29Å; N105-L107 VanDerWaalsContact O-N 3.15Å; N105-L107 WeakPolarHBondContact OD1-CB 3.29Å; N105-L107 PolarHBondContact OD1-N 3.29Å; N105-L107 VanDerWaalsContact OD1-N 3.12Å; L107-T112 PolarHBondContact O-OG1 3.36Å; L107-L157 HydrophobicContact CD2-CD2 3.88Å; L107-L160 HydrophobicContact CB-CD2 4.28Å; L107-L160 HydrophobicContact CD2-CD2 4.41Å; L107-L160 WeakPolarHBondContact O-CD2 3.43Å; L107-R164 VanDerWaalsContact O-CZ 3.24Å; L107-R164 PolarHBondContact O-NH1 2.81Å; L107-R164 PolarHBondContact O-NH2 2.73Å; L107-I173 HydrophobicContact CD1-CD1 4.29Å; L107-I173 HydrophobicContact CD2-CD1 4.22Å; L107-L192 HydrophobicContact CD2-CD2 4.1Å; L107-V203 HydrophobicContact CD1-CB 4.45Å; L107-V203 HydrophobicContact CD1-CG1 3.49Å; L107-V203 VanDerWaalsContact CD1-CG1 3.49Å; L107-A206 HydrophobicContact CD1-CB 4.14Å; L107-A206 HydrophobicContact CG-CB 4.23Å; L107-I209 HydrophobicContact CD2-CD1 3.94Å
108	D	92.3	Very high	92.8	Very high	51 Å²	51	49.4 Å²	49.4	27%	0.273	24%	0.236	S	C	.	.	S	Bend	trans	-65	169.3	175.3	75.6	16.7	0	0	0	112.3	N105 H110 H111 T112 R164	N105-D108 VanDerWaalsContact O-CG 3.23Å; N105-D108 PolarHBondContact O-N 3.42Å; D108-H110 VanDerWaalsContact C-N 3.33Å; D108-H110 PolarHBondContact O-N 3.22Å; D108-H110 PolarHBondContact OD1-N 2.98Å; D108-H111 VanDerWaalsContact OD1-CB 3.31Å; D108-H111 WeakPolarHBondContact OD1-CB 3.44Å; D108-H111 IonicContact OD1-CE1 2.84Å; D108-H111 IonicContact OD1-CG 3.95Å; D108-H111 VanDerWaalsContact OD1-CG 3.31Å; D108-H111 PolarHBondContact OD1-N 3.32Å; D108-H111 IonicContact OD1-ND1 3.95Å; D108-H111 PolarHBondContact OD1-ND1 2.89Å; D108-H111 IonicContact OD2-CE1 3.75Å; D108-H111 PolarHBondContact OD2-CE1 2.9Å; D108-H111 IonicContact OD2-ND1 3.07Å; D108-H111 PolarHBondContact OD2-ND1 2.9Å; D108-T112 WeakPolarHBondContact O-CB 3.47Å; D108-T112 PolarHBondContact O-N 3.1Å; D108-T112 PolarHBondContact O-OG1 2.97Å; D108-R164 VanDerWaalsContact C-NH1 3.26Å; D108-R164 PolarHBondContact O-NH1 3.14Å
109	Q	91.1	Very high	92.8	Very high	124 Å²	124	50.7 Å²	50.7	58%	0.579	24%	0.242	S	C	*	.	H	α-helix	trans	-61.3	-42.4	-175.6	-177.4	175.9	-7.5	0	0	112.2	D113	Q109-D113 WeakPolarHBondContact O-CB 3.37Å; Q109-D113 PolarHBondContact O-N 3.42Å
110	H	91.9	Very high	92.8	Very high	100 Å²	100	52.3 Å²	52.3	46%	0.463	26%	0.256	S	S	.	.	H	α-helix	trans	-65.3	-49.8	-176	-179	62.8	0	0	0	112.1	D108 D113 L114	D108-H110 VanDerWaalsContact C-N 3.33Å; D108-H110 PolarHBondContact O-N 3.22Å; D108-H110 PolarHBondContact OD1-N 2.98Å; H110-D113 PolarHBondContact O-N 2.87Å; H110-L114 WeakPolarHBondContact O-CB 3.39Å; H110-L114 PolarHBondContact O-N 3.23Å
111	H	94.1	Very high	92.9	Very high	11 Å²	11	53.4 Å²	53.4	5%	0.051	27%	0.265	C	S	.	.	H	α-helix	trans	-70.9	-37.8	-179.9	-61.4	107.8	0	0	0	111.4	N105 M106 D108 D113 L114 I115	N105-H111 PolarHBondContact O-ND1 3.2Å; M106-H111 HydrophobicContact CE-CB 4.23Å; M106-H111 VanDerWaalsContact CE-CD2 3.5Å; M106-H111 WeakPolarHBondContact CE-CD2 3.44Å; M106-H111 WeakPolarHBondContact O-CB 3.49Å; M106-H111 HydrophobicContact SD-CB 4.31Å; D108-H111 VanDerWaalsContact OD1-CB 3.31Å; D108-H111 WeakPolarHBondContact OD1-CB 3.44Å; D108-H111 IonicContact OD1-CE1 2.84Å; D108-H111 IonicContact OD1-CG 3.95Å; D108-H111 VanDerWaalsContact OD1-CG 3.31Å; D108-H111 PolarHBondContact OD1-N 3.32Å; D108-H111 IonicContact OD1-ND1 3.95Å; D108-H111 PolarHBondContact OD1-ND1 2.89Å; D108-H111 IonicContact OD2-CE1 3.75Å; D108-H111 PolarHBondContact OD2-CE1 2.9Å; D108-H111 IonicContact OD2-ND1 3.07Å; D108-H111 PolarHBondContact OD2-ND1 2.9Å; H111-D113 PolarHBondContact O-N 3.39Å; H111-L114 PolarHBondContact O-N 3.13Å; H111-I115 WeakPolarHBondContact O-CB 3.2Å; H111-I115 WeakPolarHBondContact O-CG1 3.43Å; H111-I115 PolarHBondContact O-N 2.89Å
112	T	94.3	Very high	93.4	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.006	24%	0.24	C	C	.	.	H	α-helix	trans	-57.6	-49.4	173.5	-60.5	0	0	0	0	111	L107 D108 L114 I115 L116 L157 K161 R164	L107-T112 PolarHBondContact O-OG1 3.36Å; D108-T112 WeakPolarHBondContact O-CB 3.47Å; D108-T112 PolarHBondContact O-N 3.1Å; D108-T112 PolarHBondContact O-OG1 2.97Å; T112-L114 VanDerWaalsContact C-N 3.3Å; T112-L114 PolarHBondContact O-N 2.95Å; T112-I115 PolarHBondContact O-N 3.43Å; T112-L116 HydrophobicContact CG2-CD1 4.19Å; T112-L116 WeakPolarHBondContact O-CG 3.16Å; T112-L116 PolarHBondContact O-N 3.49Å; T112-L157 HydrophobicContact CG2-CB 4.02Å; T112-L157 HydrophobicContact CG2-CD2 3.95Å; T112-K161 HydrophobicContact CG2-CB 4.47Å; T112-R164 PolarHBondContact OG1-NH1 3.45Å
113	D	94.7	Very high	93.8	Very high	38 Å²	38	41.2 Å²	41.2	20%	0.203	21%	0.213	C	C	.	.	H	α-helix	trans	-62.9	-37.8	178	-82	-34.5	0	0	0	112.4	Q109 H110 H111 K117 K161	Q109-D113 WeakPolarHBondContact O-CB 3.37Å; Q109-D113 PolarHBondContact O-N 3.42Å; H110-D113 PolarHBondContact O-N 2.87Å; H111-D113 PolarHBondContact O-N 3.39Å; D113-K117 WeakPolarHBondContact O-CB 3.18Å; D113-K117 VanDerWaalsContact O-CG 3.28Å; D113-K117 WeakPolarHBondContact O-CG 3.31Å; D113-K117 PolarHBondContact O-N 3.26Å; D113-K161 VanDerWaalsContact OD1-CD 3.29Å; D113-K161 WeakPolarHBondContact OD1-CD 3.45Å; D113-K161 WeakPolarHBondContact OD1-CE 3.49Å; D113-K161 IonicContact OD1-NZ 3.38Å; D113-K161 PolarHBondContact OD1-NZ 3.29Å
114	L	94.9	Very high	94.4	Very high	10 Å²	10	41.8 Å²	41.8	5%	0.052	22%	0.216	C	C	.	.	H	α-helix	trans	-65.9	-43.4	177.3	-176.4	151.7	0	0	0	111.7	H110 H111 T112 K117 L118 F240 N244 V247 M249	H110-L114 WeakPolarHBondContact O-CB 3.39Å; H110-L114 PolarHBondContact O-N 3.23Å; H111-L114 PolarHBondContact O-N 3.13Å; T112-L114 VanDerWaalsContact C-N 3.3Å; T112-L114 PolarHBondContact O-N 2.95Å; L114-K117 WeakPolarHBondContact O-CB 3.24Å; L114-K117 PolarHBondContact O-N 2.99Å; L114-L118 PolarHBondContact O-N 3.32Å; L114-F240 HydrophobicContact CD2-CE1 3.85Å; L114-F240 HydrophobicContact CG-CE1 3.99Å; L114-F240 HydrophobicContact CG-CZ 4.47Å; L114-N244 HydrophobicContact CD1-CB 3.92Å; L114-N244 WeakPolarHBondContact CD1-OD1 3.45Å; L114-V247 HydrophobicContact CD1-CG1 4.12Å; L114-V247 HydrophobicContact CD1-CG2 4.06Å; L114-V247 HydrophobicContact CD2-CG1 4.27Å; L114-V247 HydrophobicContact CD2-CG2 4.01Å; L114-M249 HydrophobicContact CD2-CE 3.73Å
115	I	96	Very high	94.7	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-66.1	-40.5	178.7	-68.2	166.2	0	0	0	110.6	V98 H111 T112 K117 L118 H119 L157 I209 L211	V98-I115 HydrophobicContact CG1-CD1 4.49Å; V98-I115 HydrophobicContact CG1-CG1 4.19Å; H111-I115 WeakPolarHBondContact O-CB 3.2Å; H111-I115 WeakPolarHBondContact O-CG1 3.43Å; H111-I115 PolarHBondContact O-N 2.89Å; T112-I115 PolarHBondContact O-N 3.43Å; I115-K117 VanDerWaalsContact C-N 3.34Å; I115-K117 PolarHBondContact O-N 3.02Å; I115-L118 WeakPolarHBondContact O-CB 3.42Å; I115-L118 PolarHBondContact O-N 3.41Å; I115-H119 PolarHBondContact O-N 3.36Å; I115-L157 HydrophobicContact CB-CD1 4.31Å; I115-L157 HydrophobicContact CG2-CD1 3.65Å; I115-I209 HydrophobicContact CD1-CB 4.07Å; I115-I209 HydrophobicContact CD1-CD1 3.57Å; I115-I209 HydrophobicContact CD1-CG1 4.27Å; I115-I209 HydrophobicContact CD1-CG2 4.34Å; I115-L211 HydrophobicContact CG2-CD1 3.86Å; I115-L211 HydrophobicContact CG2-CD2 4.49Å; I115-L211 HydrophobicContact CG2-CG 4.47Å
116	L	96.7	Very high	94.8	Very high	24 Å²	24	44.4 Å²	44.4	13%	0.126	22%	0.222	C	C	.	.	H	α-helix	trans	-66.3	-35.2	174.6	-67.4	175.1	0	0	0	112.2	T112 H119 A120 V154 L157 E158 K161	T112-L116 HydrophobicContact CG2-CD1 4.19Å; T112-L116 WeakPolarHBondContact O-CG 3.16Å; T112-L116 PolarHBondContact O-N 3.49Å; L116-H119 PolarHBondContact O-N 2.96Å; L116-A120 WeakPolarHBondContact O-CB 3.39Å; L116-A120 PolarHBondContact O-N 2.66Å; L116-V154 HydrophobicContact CD2-CG1 4.06Å; L116-L157 HydrophobicContact CD2-CB 4.06Å; L116-L157 HydrophobicContact CG-CB 4.38Å; L116-E158 HydrophobicContact CD1-CG 4.29Å; L116-E158 HydrophobicContact CD2-CG 3.72Å; L116-K161 HydrophobicContact CD1-CB 4.42Å; L116-K161 HydrophobicContact CD1-CD 3.87Å
117	K	96.4	Very high	94.8	Very high	143 Å²	143	44.4 Å²	44.4	62%	0.622	22%	0.222	S	C	*	.	H	α-helix	trans	-65.5	-40.7	170.9	-75.6	173.1	-177.1	179.1	0	112.1	D113 L114 I115 A120 A121 F240	D113-K117 WeakPolarHBondContact O-CB 3.18Å; D113-K117 VanDerWaalsContact O-CG 3.28Å; D113-K117 WeakPolarHBondContact O-CG 3.31Å; D113-K117 PolarHBondContact O-N 3.26Å; L114-K117 WeakPolarHBondContact O-CB 3.24Å; L114-K117 PolarHBondContact O-N 2.99Å; I115-K117 VanDerWaalsContact C-N 3.34Å; I115-K117 PolarHBondContact O-N 3.02Å; K117-A120 PolarHBondContact O-N 3.05Å; K117-A121 PolarHBondContact O-N 3.02Å; K117-F240 HydrophobicContact CB-CE2 4.26Å; K117-F240 HydrophobicContact CB-CZ 3.93Å
118	L	96.4	Very high	94.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.7	-46.2	173.8	176.3	66.4	0	0	0	110.5	V96 V98 L114 I115 A120 A121 V122 V237 F240 M249	V96-L118 HydrophobicContact CG1-CD2 4.23Å; V98-L118 HydrophobicContact CG2-CD2 3.92Å; L114-L118 PolarHBondContact O-N 3.32Å; I115-L118 WeakPolarHBondContact O-CB 3.42Å; I115-L118 PolarHBondContact O-N 3.41Å; L118-A120 VanDerWaalsContact C-N 3.35Å; L118-A120 PolarHBondContact O-N 3.49Å; L118-A121 WeakPolarHBondContact O-CB 3.05Å; L118-A121 PolarHBondContact O-N 3.4Å; L118-A121 VanDerWaalsContact O-N 3.1Å; L118-V122 HydrophobicContact CD1-CG2 4.29Å; L118-V122 HydrophobicContact CG-CG2 4.49Å; L118-V122 WeakPolarHBondContact O-CG2 3.43Å; L118-V122 PolarHBondContact O-N 3.21Å; L118-V237 HydrophobicContact CD1-CG2 4.38Å; L118-F240 HydrophobicContact CB-CD1 4.28Å; L118-F240 HydrophobicContact CB-CE1 3.9Å; L118-F240 HydrophobicContact CB-CE2 4.31Å; L118-F240 HydrophobicContact CB-CZ 3.92Å; L118-F240 HydrophobicContact CD1-CB 3.97Å; L118-F240 HydrophobicContact CD1-CD1 3.84Å; L118-F240 HydrophobicContact CD1-CD2 4.11Å; L118-F240 HydrophobicContact CD1-CE1 4.33Å; L118-F240 HydrophobicContact CD1-CG 3.7Å; L118-M249 HydrophobicContact CD1-SD 4.21Å; L118-M249 HydrophobicContact CD2-CE 4.01Å; L118-M249 HydrophobicContact CD2-SD 3.87Å
119	H	96	Very high	94.5	Very high	27 Å²	27	50.8 Å²	50.8	13%	0.125	25%	0.254	C	S	.	.	H	α-helix	trans	-57.5	-45.9	175.7	177.3	64.5	0	0	0	112.3	I115 L116 A121 V122 T123 V150 Y213	I115-H119 PolarHBondContact O-N 3.36Å; L116-H119 PolarHBondContact O-N 2.96Å; H119-A121 VanDerWaalsContact C-N 3.3Å; H119-A121 PolarHBondContact O-N 3.31Å; H119-V122 PolarHBondContact O-N 3.22Å; H119-T123 VanDerWaalsContact CE1-CG2 3.44Å; H119-T123 WeakPolarHBondContact CE1-CG2 3.25Å; H119-T123 WeakPolarHBondContact O-CG2 3.36Å; H119-T123 PolarHBondContact O-N 3.48Å; H119-T123 PolarHBondContact O-OG1 3.19Å; H119-V150 VanDerWaalsContact CE1-CG1 3.44Å; H119-V150 WeakPolarHBondContact CE1-CG1 3.4Å; H119-Y213 WeakPolarHBondContact CA-OH 3.18Å; H119-Y213 AromaticContact CE1-CE1 3.9Å; H119-Y213 AromaticContact ND1-CE1 3.47Å; H119-Y213 WeakPolarHBondContact ND1-CE1 3.27Å; H119-Y213 AromaticContact ND1-CZ 3.74Å; H119-Y213 PolarHBondContact ND1-OH 2.67Å; H119-Y213 VanDerWaalsContact ND1-OH 3.13Å
120	A	96.1	Very high	94.2	Very high	39 Å²	39	50.9 Å²	50.9	32%	0.322	27%	0.265	S	S	.	.	H	α-helix	trans	-63.4	-33.7	175.5	0	0	0	0	0	112.9	L116 K117 L118 T123 K124	L116-A120 WeakPolarHBondContact O-CB 3.39Å; L116-A120 PolarHBondContact O-N 2.66Å; K117-A120 PolarHBondContact O-N 3.05Å; L118-A120 VanDerWaalsContact C-N 3.35Å; L118-A120 PolarHBondContact O-N 3.49Å; A120-T123 WeakPolarHBondContact CA-OG1 3.23Å; A120-T123 PolarHBondContact O-OG1 3.24Å; A120-K124 WeakPolarHBondContact O-CB 3.31Å; A120-K124 WeakPolarHBondContact O-CD 3.16Å; A120-K124 WeakPolarHBondContact O-CG 3.33Å; A120-K124 PolarHBondContact O-N 3.47Å
121	A	96.4	Very high	93.9	Very high	32 Å²	32	50.4 Å²	50.4	26%	0.264	29%	0.287	S	S	.	.	H	α-helix	trans	-69.9	-45	175.2	0	0	0	0	0	111.6	K117 L118 H119 K124 I125 T236 F240	K117-A121 PolarHBondContact O-N 3.02Å; L118-A121 WeakPolarHBondContact O-CB 3.05Å; L118-A121 PolarHBondContact O-N 3.4Å; L118-A121 VanDerWaalsContact O-N 3.1Å; H119-A121 VanDerWaalsContact C-N 3.3Å; H119-A121 PolarHBondContact O-N 3.31Å; A121-K124 PolarHBondContact O-N 3.46Å; A121-I125 PolarHBondContact O-N 3.02Å; A121-T236 HydrophobicContact CB-CG2 4.34Å; A121-F240 HydrophobicContact CB-CD2 4.29Å; A121-F240 HydrophobicContact CB-CE2 4.45Å
122	V	96.2	Very high	93.8	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-63.7	-44.3	179.6	169.7	0	0	0	0	112	L118 H119 K124 I125 Y213 W229 F233	L118-V122 HydrophobicContact CD1-CG2 4.29Å; L118-V122 HydrophobicContact CG-CG2 4.49Å; L118-V122 WeakPolarHBondContact O-CG2 3.43Å; L118-V122 PolarHBondContact O-N 3.21Å; H119-V122 PolarHBondContact O-N 3.22Å; V122-K124 PolarHBondContact O-N 3.12Å; V122-I125 HydrophobicContact CB-CD1 4.41Å; V122-I125 HydrophobicContact CG1-CD1 4.26Å; V122-I125 WeakPolarHBondContact O-CB 3.45Å; V122-I125 WeakPolarHBondContact O-CD1 3.25Å; V122-I125 VanDerWaalsContact O-CG1 3.23Å; V122-I125 WeakPolarHBondContact O-CG1 3.47Å; V122-I125 PolarHBondContact O-N 3.16Å; V122-Y213 HydrophobicContact CB-CE1 4.17Å; V122-Y213 HydrophobicContact CB-CE2 4.42Å; V122-Y213 HydrophobicContact CG1-CD1 3.77Å; V122-Y213 HydrophobicContact CG1-CD2 4.01Å; V122-Y213 HydrophobicContact CG1-CE1 3.56Å; V122-Y213 HydrophobicContact CG1-CE2 3.83Å; V122-Y213 HydrophobicContact CG1-CG 3.99Å; V122-Y213 HydrophobicContact CG2-CE2 4.46Å; V122-W229 HydrophobicContact CG1-CH2 3.86Å; V122-W229 HydrophobicContact CG1-CZ2 3.67Å; V122-F233 HydrophobicContact CG1-CD2 3.72Å; V122-F233 HydrophobicContact CG1-CE2 3.91Å; V122-F233 HydrophobicContact CG2-CD2 3.98Å; V122-F233 HydrophobicContact CG2-CE2 3.9Å
123	T	93.6	Very high	93.7	Very high	39 Å²	39	57.9 Å²	57.9	24%	0.239	32%	0.323	C	S	.	.	H	α-helix	trans	-67.4	-23.1	179.5	49.9	0	0	0	0	113.3	H119 A120 F136	H119-T123 VanDerWaalsContact CE1-CG2 3.44Å; H119-T123 WeakPolarHBondContact CE1-CG2 3.25Å; H119-T123 WeakPolarHBondContact O-CG2 3.36Å; H119-T123 PolarHBondContact O-N 3.48Å; H119-T123 PolarHBondContact O-OG1 3.19Å; A120-T123 WeakPolarHBondContact CA-OG1 3.23Å; A120-T123 PolarHBondContact O-OG1 3.24Å; T123-F136 HydrophobicContact CG2-CD1 3.91Å; T123-F136 HydrophobicContact CG2-CE1 4.36Å
124	K	95.2	Very high	93.6	Very high	153 Å²	153	58 Å²	58	67%	0.665	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-0.9	176.4	-71.5	177	-176.2	-179.3	0	114.3	A120 A121 V122 Q126	A120-K124 WeakPolarHBondContact O-CB 3.31Å; A120-K124 WeakPolarHBondContact O-CD 3.16Å; A120-K124 WeakPolarHBondContact O-CG 3.33Å; A120-K124 PolarHBondContact O-N 3.47Å; A121-K124 PolarHBondContact O-N 3.46Å; V122-K124 PolarHBondContact O-N 3.12Å; K124-Q126 WeakPolarHBondContact O-CG 3.07Å; K124-Q126 PolarHBondContact O-N 3.03Å
125	I	96.6	Very high	93.5	Very high	11 Å²	11	59 Å²	59	6%	0.056	33%	0.328	C	S	.	.			trans	-54.5	128.8	175.6	-69.1	170.7	0	0	0	109.2	A121 V122 T135 W229 F233 T236	A121-I125 PolarHBondContact O-N 3.02Å; V122-I125 HydrophobicContact CB-CD1 4.41Å; V122-I125 HydrophobicContact CG1-CD1 4.26Å; V122-I125 WeakPolarHBondContact O-CB 3.45Å; V122-I125 WeakPolarHBondContact O-CD1 3.25Å; V122-I125 VanDerWaalsContact O-CG1 3.23Å; V122-I125 WeakPolarHBondContact O-CG1 3.47Å; V122-I125 PolarHBondContact O-N 3.16Å; I125-T135 WeakPolarHBondContact O-CA 3.35Å; I125-W229 HydrophobicContact CD1-CZ2 4.28Å; I125-W229 HydrophobicContact CG2-CG 4.44Å; I125-F233 HydrophobicContact CD1-CB 4.13Å; I125-F233 HydrophobicContact CD1-CD2 4.49Å; I125-T236 HydrophobicContact CD1-CG2 4.21Å; I125-T236 HydrophobicContact CG1-CG2 4.25Å
126	Q	94.1	Very high	93.3	Very high	118 Å²	118	59.1 Å²	59.1	55%	0.551	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	130.5	177.2	-57.4	-167.6	-9.5	0	0	110.2	K124 P128 Y134 T135	K124-Q126 WeakPolarHBondContact O-CG 3.07Å; K124-Q126 PolarHBondContact O-N 3.03Å; Q126-P128 WeakPolarHBondContact O-CD 3.16Å; Q126-Y134 CarbonylContact C-O 3.55Å; Q126-Y134 VanDerWaalsContact CA-O 3.31Å; Q126-Y134 WeakPolarHBondContact CA-O 3.37Å; Q126-T135 HydrophobicContact CG-CG2 4.24Å
127	V	93.8	Very high	93	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.006	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	99.8	172.8	177	0	0	0	0	107.7	Y134 V225 R228 W229	V127-Y134 PolarHBondContact N-O 3.46Å; V127-Y134 PolarHBondContact O-N 2.97Å; V127-V225 HydrophobicContact CB-CG1 4.34Å; V127-V225 HydrophobicContact CG1-CG1 4.16Å; V127-R228 HydrophobicContact CG1-CB 3.83Å; V127-R228 HydrophobicContact CG1-CG 3.57Å; V127-R228 HydrophobicContact CG2-CG 4.46Å; V127-W229 HydrophobicContact CG2-CB 3.86Å; V127-W229 HydrophobicContact CG2-CG 4.39Å
128	P	92.2	Very high	92.7	Very high	94 Å²	94	58.5 Å²	58.5	61%	0.61	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	132.6	-178.2	28.3	-33.6	0	0	0	111.2	Q126 N133	Q126-P128 WeakPolarHBondContact O-CD 3.16Å; P128-N133 VanDerWaalsContact CA-OD1 3.27Å; P128-N133 WeakPolarHBondContact CA-OD1 3.41Å; P128-N133 WeakPolarHBondContact CB-OD1 3.35Å
129	R	86.9	Confident	92.3	Very high	100 Å²	100	58.5 Å²	58.5	38%	0.377	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	156.7	170.8	-88.7	-75.9	176.4	176.6	-9.5	109.5	G131 F132 Y134 M224 V225	R129-G131 PolarHBondContact O-N 3.15Å; R129-F132 CarbonylContact C-O 3.59Å; R129-F132 WeakPolarHBondContact CA-O 3.25Å; R129-F132 WeakPolarHBondContact CB-O 3.1Å; R129-F132 PolarHBondContact N-O 2.91Å; R129-F132 CarbonylContact O-C 3.45Å; R129-F132 PolarHBondContact O-N 3.44Å; R129-Y134 HydrophobicContact CB-CD2 4.1Å; R129-Y134 HydrophobicContact CB-CE2 3.89Å; R129-Y134 HydrophobicContact CG-CD2 4.15Å; R129-Y134 HydrophobicContact CG-CE2 4.04Å; R129-M224 PolarHBondContact NH2-SD 3.11Å; R129-V225 HydrophobicContact CG-CG2 4.42Å
130	P	85.5	Confident	91.9	Very high	127 Å²	127	57.3 Å²	57.3	83%	0.825	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	115.4	175.5	-25.5	34.2	0	0	0	110.9	F132	P130-F132 PolarHBondContact O-N 2.97Å
131	G	86.8	Confident	91.2	Very high	89 Å²	89	56.7 Å²	56.7	92%	0.918	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	-10.1	179	0	0	0	0	0	116.8	R129	R129-G131 PolarHBondContact O-N 3.15Å
132	F	91.7	Very high	90.4	Very high	88 Å²	88	58.3 Å²	58.3	39%	0.386	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	133.9	-178.2	-165	-101.9	0	0	0	113.4	R129 P130 Y134 H138	R129-F132 CarbonylContact C-O 3.59Å; R129-F132 WeakPolarHBondContact CA-O 3.25Å; R129-F132 WeakPolarHBondContact CB-O 3.1Å; R129-F132 PolarHBondContact N-O 2.91Å; R129-F132 CarbonylContact O-C 3.45Å; R129-F132 PolarHBondContact O-N 3.44Å; P130-F132 PolarHBondContact O-N 2.97Å; F132-Y134 HydrophobicContact CB-CE2 4.31Å; F132-Y134 AromaticContact CD1-CD1 3.74Å; F132-Y134 HydrophobicContact CD1-CD1 3.74Å; F132-Y134 AromaticContact CD1-CD2 3.68Å; F132-Y134 HydrophobicContact CD1-CD2 3.68Å; F132-Y134 AromaticContact CD1-CE1 3.73Å; F132-Y134 HydrophobicContact CD1-CE1 3.73Å; F132-Y134 AromaticContact CD1-CE2 3.66Å; F132-Y134 HydrophobicContact CD1-CE2 3.66Å; F132-Y134 AromaticContact CD1-CG 3.71Å; F132-Y134 HydrophobicContact CD1-CG 3.71Å; F132-Y134 AromaticContact CD1-CZ 3.68Å; F132-Y134 AromaticContact CE1-CD1 3.68Å; F132-Y134 HydrophobicContact CE1-CD1 3.68Å; F132-Y134 HydrophobicContact CE1-CD2 4.39Å; F132-Y134 AromaticContact CE1-CE1 3.86Å; F132-Y134 HydrophobicContact CE1-CE1 3.86Å; F132-Y134 AromaticContact CE1-CG 3.95Å; F132-Y134 HydrophobicContact CE1-CG 3.95Å; F132-Y134 HydrophobicContact CG-CE2 4.45Å; F132-H138 AromaticContact CE1-CD2 3.89Å; F132-H138 AromaticContact CE1-CG 3.92Å; F132-H138 AromaticContact CZ-CD2 3.57Å; F132-H138 AromaticContact CZ-CE1 3.82Å; F132-H138 AromaticContact CZ-NE2 3.43Å; F132-H138 WeakPolarHBondContact CZ-NE2 3.38Å
133	N	92.2	Very high	89.4	Confident	81 Å²	81	59.6 Å²	59.6	43%	0.433	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	103.7	172.1	-74.2	-5.3	0	0	0	109.5	P128	P128-N133 VanDerWaalsContact CA-OD1 3.27Å; P128-N133 WeakPolarHBondContact CA-OD1 3.41Å; P128-N133 WeakPolarHBondContact CB-OD1 3.35Å
134	Y	92.9	Very high	88.3	Confident	41 Å²	41	61.9 Å²	61.9	16%	0.161	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	139.8	177.1	-68.7	-91.2	0	0	0	110.1	Q126 V127 R129 F132 H138 I139 V225	Q126-Y134 CarbonylContact C-O 3.55Å; Q126-Y134 VanDerWaalsContact CA-O 3.31Å; Q126-Y134 WeakPolarHBondContact CA-O 3.37Å; V127-Y134 PolarHBondContact N-O 3.46Å; V127-Y134 PolarHBondContact O-N 2.97Å; R129-Y134 HydrophobicContact CB-CD2 4.1Å; R129-Y134 HydrophobicContact CB-CE2 3.89Å; R129-Y134 HydrophobicContact CG-CD2 4.15Å; R129-Y134 HydrophobicContact CG-CE2 4.04Å; F132-Y134 HydrophobicContact CB-CE2 4.31Å; F132-Y134 AromaticContact CD1-CD1 3.74Å; F132-Y134 HydrophobicContact CD1-CD1 3.74Å; F132-Y134 AromaticContact CD1-CD2 3.68Å; F132-Y134 HydrophobicContact CD1-CD2 3.68Å; F132-Y134 AromaticContact CD1-CE1 3.73Å; F132-Y134 HydrophobicContact CD1-CE1 3.73Å; F132-Y134 AromaticContact CD1-CE2 3.66Å; F132-Y134 HydrophobicContact CD1-CE2 3.66Å; F132-Y134 AromaticContact CD1-CG 3.71Å; F132-Y134 HydrophobicContact CD1-CG 3.71Å; F132-Y134 AromaticContact CD1-CZ 3.68Å; F132-Y134 AromaticContact CE1-CD1 3.68Å; F132-Y134 HydrophobicContact CE1-CD1 3.68Å; F132-Y134 HydrophobicContact CE1-CD2 4.39Å; F132-Y134 AromaticContact CE1-CE1 3.86Å; F132-Y134 HydrophobicContact CE1-CE1 3.86Å; F132-Y134 AromaticContact CE1-CG 3.95Å; F132-Y134 HydrophobicContact CE1-CG 3.95Å; F132-Y134 HydrophobicContact CG-CE2 4.45Å; Y134-H138 HydrophobicContact CD1-CB 3.99Å; Y134-I139 HydrophobicContact CD1-CG2 4.24Å; Y134-V225 HydrophobicContact CD1-CG1 4.05Å; Y134-V225 HydrophobicContact CD2-CG1 3.96Å; Y134-V225 HydrophobicContact CD2-CG2 3.88Å; Y134-V225 HydrophobicContact CE2-CG2 3.91Å; Y134-V225 HydrophobicContact CG-CG1 3.6Å; Y134-V225 HydrophobicContact CG-CG2 4.23Å
135	T	92.3	Very high	87.3	Confident	31 Å²	31	60.5 Å²	60.5	19%	0.19	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	171	171.7	68.3	0	0	0	0	109.2	I125 Q126 A137 H138	I125-T135 WeakPolarHBondContact O-CA 3.35Å; Q126-T135 HydrophobicContact CG-CG2 4.24Å; T135-A137 PolarHBondContact O-N 2.81Å; T135-A137 VanDerWaalsContact O-N 3.11Å; T135-A137 PolarHBondContact OG1-N 2.69Å; T135-H138 PolarHBondContact N-ND1 3.28Å; T135-H138 VanDerWaalsContact N-ND1 3.17Å; T135-H138 WeakPolarHBondContact O-CB 3.43Å; T135-H138 PolarHBondContact O-N 2.87Å; T135-H138 PolarHBondContact OG1-CE1 2.95Å; T135-H138 PolarHBondContact OG1-ND1 3.38Å
136	F	91.6	Very high	86.4	Confident	4 Å²	4	68.4 Å²	68.4	2%	0.018	38%	0.378	C	S	.	.	H	α-helix	trans	-50.5	-38.6	175	178	-109.6	0	0	0	112.2	T123 H138 I139 C140 C148 V150 Y213 L215 W229	T123-F136 HydrophobicContact CG2-CD1 3.91Å; T123-F136 HydrophobicContact CG2-CE1 4.36Å; F136-H138 PolarHBondContact O-N 2.88Å; F136-H138 VanDerWaalsContact O-N 3.1Å; F136-I139 PolarHBondContact O-N 2.83Å; F136-I139 VanDerWaalsContact O-N 3.15Å; F136-C140 HydrophobicContact CD1-CB 4.17Å; F136-C140 HydrophobicContact CD2-CB 4.16Å; F136-C140 HydrophobicContact CE1-CB 3.74Å; F136-C140 HydrophobicContact CE2-CB 3.72Å; F136-C140 HydrophobicContact CG-CB 4.37Å; F136-C140 HydrophobicContact CZ-CB 3.5Å; F136-C140 VanDerWaalsContact CZ-CB 3.5Å; F136-C140 VanDerWaalsContact O-CB 3.24Å; F136-C140 WeakPolarHBondContact O-CB 3.43Å; F136-C140 PolarHBondContact O-N 2.86Å; F136-C148 HydrophobicContact CE1-CB 3.83Å; F136-C148 HydrophobicContact CZ-CB 4.5Å; F136-V150 HydrophobicContact CE1-CG2 4.15Å; F136-Y213 HydrophobicContact CE1-CD1 4.49Å; F136-Y213 HydrophobicContact CE2-CD1 4.15Å; F136-Y213 HydrophobicContact CZ-CD1 4.03Å; F136-L215 HydrophobicContact CD2-CD2 4Å; F136-L215 HydrophobicContact CE2-CD2 3.95Å; F136-W229 HydrophobicContact CB-CZ2 4.41Å; F136-W229 HydrophobicContact CD2-CH2 4.27Å; F136-W229 AromaticContact CD2-CZ2 3.64Å; F136-W229 HydrophobicContact CD2-CZ2 3.64Å; F136-W229 HydrophobicContact CE2-CZ2 4.36Å; F136-W229 HydrophobicContact CG-CZ2 4.34Å
137	A	90	Very high	85.8	Confident	59 Å²	59	66 Å²	66	49%	0.488	37%	0.371	S	S	.	.	H	α-helix	trans	-59.6	-22.9	178.8	0	0	0	0	0	115	T135	T135-A137 PolarHBondContact O-N 2.81Å; T135-A137 VanDerWaalsContact O-N 3.11Å; T135-A137 PolarHBondContact OG1-N 2.69Å
138	H	89.5	Confident	85.5	Confident	94 Å²	94	67.4 Å²	67.4	44%	0.435	38%	0.381	S	S	.	.	H	α-helix	trans	-90.7	-17	-178.3	-61.2	99.7	0	0	0	113.6	F132 Y134 T135 F136	F132-H138 AromaticContact CE1-CD2 3.89Å; F132-H138 AromaticContact CE1-CG 3.92Å; F132-H138 AromaticContact CZ-CD2 3.57Å; F132-H138 AromaticContact CZ-CE1 3.82Å; F132-H138 AromaticContact CZ-NE2 3.43Å; F132-H138 WeakPolarHBondContact CZ-NE2 3.38Å; Y134-H138 HydrophobicContact CD1-CB 3.99Å; T135-H138 PolarHBondContact N-ND1 3.28Å; T135-H138 VanDerWaalsContact N-ND1 3.17Å; T135-H138 WeakPolarHBondContact O-CB 3.43Å; T135-H138 PolarHBondContact O-N 2.87Å; T135-H138 PolarHBondContact OG1-CE1 2.95Å; T135-H138 PolarHBondContact OG1-ND1 3.38Å; F136-H138 PolarHBondContact O-N 2.88Å; F136-H138 VanDerWaalsContact O-N 3.1Å
139	I	88	Confident	84.8	Confident	1 Å²	1	63 Å²	63	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-129.1	-1.1	-173.2	61.1	170.2	0	0	0	113.2	Y134 F136 L215 Q216 V225 W229	Y134-I139 HydrophobicContact CD1-CG2 4.24Å; F136-I139 PolarHBondContact O-N 2.83Å; F136-I139 VanDerWaalsContact O-N 3.15Å; I139-L215 HydrophobicContact CD1-CD2 3.95Å; I139-L215 HydrophobicContact CG1-CD2 4.07Å; I139-L215 CarbonylContact O-C 3.59Å; I139-L215 VanDerWaalsContact O-CA 3.32Å; I139-L215 WeakPolarHBondContact O-CA 3.43Å; I139-Q216 PolarHBondContact O-N 2.85Å; I139-V225 HydrophobicContact CD1-CG1 4.38Å; I139-V225 HydrophobicContact CG2-CB 4.48Å; I139-V225 HydrophobicContact CG2-CG1 3.81Å; I139-W229 HydrophobicContact CD1-CB 3.58Å; I139-W229 HydrophobicContact CD1-CD2 4.3Å; I139-W229 HydrophobicContact CD1-CG 3.57Å
140	C	87.5	Confident	84.6	Confident	1 Å²	1	59 Å²	59	1%	0.007	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-68.9	158.1	174.8	66.8	0	0	0	0	110.9	F136 L142 C148 Y214	F136-C140 HydrophobicContact CD1-CB 4.17Å; F136-C140 HydrophobicContact CD2-CB 4.16Å; F136-C140 HydrophobicContact CE1-CB 3.74Å; F136-C140 HydrophobicContact CE2-CB 3.72Å; F136-C140 HydrophobicContact CG-CB 4.37Å; F136-C140 HydrophobicContact CZ-CB 3.5Å; F136-C140 VanDerWaalsContact CZ-CB 3.5Å; F136-C140 VanDerWaalsContact O-CB 3.24Å; F136-C140 WeakPolarHBondContact O-CB 3.43Å; F136-C140 PolarHBondContact O-N 2.86Å; C140-L142 PolarHBondContact O-N 2.73Å; C140-C148 HydrophobicContact CB-CB 3.69Å; C140-C148 WeakPolarHBondContact CB-SG 3.16Å; C140-C148 WeakPolarHBondContact SG-CA 3.17Å; C140-C148 WeakPolarHBondContact SG-CB 3.5Å; C140-C148 CovalentContact SG-SG 2.03Å; C140-C148 PolarHBondContact SG-SG 3.46Å; C140-Y214 WeakPolarHBondContact CA-O 3.47Å
141	I	81.7	Confident	84.4	Confident	27 Å²	27	53.1 Å²	53.1	14%	0.138	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-68.7	132	165.8	-56.1	-173.8	0	0	0	108.6	I149 Y214	I141-I149 HydrophobicContact CB-CD1 4.45Å; I141-I149 HydrophobicContact CG2-CD1 3.8Å; I141-I149 WeakPolarHBondContact O-CB 3.47Å; I141-I149 PolarHBondContact O-N 3.32Å; I141-Y214 HydrophobicContact CD1-CG 4.44Å; I141-Y214 PolarHBondContact N-O 3.16Å
142	L	81	Confident	84.3	Confident	66 Å²	66	49.1 Å²	49.1	35%	0.346	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-96.2	138.8	-177.1	-60.3	176.7	0	0	0	111.8	K80 C140 T147	K80-L142 WeakPolarHBondContact CG-O 3.34Å; C140-L142 PolarHBondContact O-N 2.73Å; L142-T147 CarbonylContact C-O 3.58Å; L142-T147 WeakPolarHBondContact CA-O 3.24Å
143	N	75	Confident	84.2	Confident	27 Å²	27	45.1 Å²	45.1	14%	0.144	24%	0.241	C	C	.	.			trans	-77.1	178.2	169.4	-166.2	7.7	0	0	0	111.2	K80 D145 K146 T147 I149	K80-N143 PolarHBondContact O-OD1 2.72Å; N143-D145 PolarHBondContact O-N 2.83Å; N143-K146 PolarHBondContact O-N 3.38Å; N143-T147 PolarHBondContact N-O 2.89Å; N143-I149 HydrophobicContact CB-CD1 4.44Å; N143-I149 HydrophobicContact CB-CG1 3.93Å
144	N	69.9	Low	84.2	Confident	86 Å²	86	41.5 Å²	41.5	46%	0.46	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-37.2	174.4	-81.7	-43	0	0	0	113.5	K80 K146 E628	K80-N144 HydrophobicContact CD-CB 4.42Å; K80-N144 WeakPolarHBondContact CD-OD1 3.37Å; K80-N144 PolarHBondContact NZ-OD1 2.94Å; N144-K146 PolarHBondContact O-N 2.77Å; N144-E628 PolarHBondContact ND2-OE1 3.4Å
145	D	73.7	Confident	84	Confident	125 Å²	125	42.6 Å²	42.6	67%	0.668	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	11.3	178.2	-52.9	-39.5	0	0	0	113.7	N143 T147	N143-D145 PolarHBondContact O-N 2.83Å; D145-T147 HydrophobicContact CB-CG2 4.38Å; D145-T147 PolarHBondContact O-N 2.87Å
146	K	78	Confident	83.9	Confident	177 Å²	177	41.2 Å²	41.2	77%	0.77	22%	0.219	S	C	*	.	S	Bend	trans	57.8	27.8	-174.5	-54.2	-179.6	179.7	178.5	0	113.7	N143 N144	N143-K146 PolarHBondContact O-N 3.38Å; N144-K146 PolarHBondContact O-N 2.77Å
147	T	82.5	Confident	84	Confident	67 Å²	67	41 Å²	41	41%	0.411	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-102.1	151.4	174.2	53.5	0	0	0	0	110.5	L142 N143 D145 I149	L142-T147 CarbonylContact C-O 3.58Å; L142-T147 WeakPolarHBondContact CA-O 3.24Å; N143-T147 PolarHBondContact N-O 2.89Å; D145-T147 HydrophobicContact CB-CG2 4.38Å; D145-T147 PolarHBondContact O-N 2.87Å; T147-I149 PolarHBondContact O-N 2.8Å
148	C	85.7	Confident	84.1	Confident	30 Å²	30	41.9 Å²	41.9	20%	0.203	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-62.4	138.1	177.9	-66.6	0	0	0	0	112	F136 C140 V150	F136-C148 HydrophobicContact CE1-CB 3.83Å; F136-C148 HydrophobicContact CZ-CB 4.5Å; C140-C148 HydrophobicContact CB-CB 3.69Å; C140-C148 WeakPolarHBondContact CB-SG 3.16Å; C140-C148 WeakPolarHBondContact SG-CA 3.17Å; C140-C148 WeakPolarHBondContact SG-CB 3.5Å; C140-C148 CovalentContact SG-SG 2.03Å; C140-C148 PolarHBondContact SG-SG 3.46Å; C148-V150 HydrophobicContact CB-CG2 4.22Å; C148-V150 PolarHBondContact O-N 3.42Å
149	I	79.2	Confident	84.1	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-76.9	118.4	168	-68.9	178	0	0	0	108.2	K80 R82 I141 N143 T147	K80-I149 VanDerWaalsContact C-CD1 3.43Å; K80-I149 VanDerWaalsContact O-CD1 3.25Å; K80-I149 WeakPolarHBondContact O-CD1 3.31Å; R82-I149 HydrophobicContact CB-CG2 4.24Å; R82-I149 HydrophobicContact CG-CB 4.36Å; R82-I149 HydrophobicContact CG-CG1 4.24Å; R82-I149 HydrophobicContact CG-CG2 3.75Å; I141-I149 HydrophobicContact CB-CD1 4.45Å; I141-I149 HydrophobicContact CG2-CD1 3.8Å; I141-I149 WeakPolarHBondContact O-CB 3.47Å; I141-I149 PolarHBondContact O-N 3.32Å; N143-I149 HydrophobicContact CB-CD1 4.44Å; N143-I149 HydrophobicContact CB-CG1 3.93Å; T147-I149 PolarHBondContact O-N 2.8Å
150	V	81.8	Confident	84.3	Confident	18 Å²	18	39.2 Å²	39.2	11%	0.109	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-130.7	152.6	-177.9	178.2	0	0	0	0	108.3	Y84 H119 F136 C148 D152 V154	Y84-V150 PolarHBondContact OH-O 3Å; H119-V150 VanDerWaalsContact CE1-CG1 3.44Å; H119-V150 WeakPolarHBondContact CE1-CG1 3.4Å; F136-V150 HydrophobicContact CE1-CG2 4.15Å; C148-V150 HydrophobicContact CB-CG2 4.22Å; C148-V150 PolarHBondContact O-N 3.42Å; V150-D152 PolarHBondContact O-N 3.22Å; V150-V154 HydrophobicContact CG1-CB 4.15Å; V150-V154 HydrophobicContact CG1-CG2 3.81Å
151	D	82.3	Confident	84.5	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.011	22%	0.219	C	C	.	.			trans	-52.1	122.7	177.3	-139.9	-30.7	0	0	0	114.5	Y84 I153 V154 Q191 T212	Y84-D151 HydrophobicContact CD1-CB 4.17Å; Y84-D151 VanDerWaalsContact CD1-OD1 3.25Å; Y84-D151 WeakPolarHBondContact CD1-OD1 3.42Å; Y84-D151 HydrophobicContact CE1-CB 3.71Å; Y84-D151 WeakPolarHBondContact CE1-OD1 3.42Å; Y84-D151 WeakPolarHBondContact CE2-OD1 3.14Å; Y84-D151 VanDerWaalsContact CZ-CA 3.42Å; Y84-D151 VanDerWaalsContact OH-CA 3.31Å; Y84-D151 WeakPolarHBondContact OH-CA 3.46Å; D151-I153 HydrophobicContact CB-CG2 3.77Å; D151-I153 PolarHBondContact O-N 2.83Å; D151-I153 VanDerWaalsContact O-N 3.14Å; D151-V154 HydrophobicContact CB-CG2 4.43Å; D151-V154 WeakPolarHBondContact O-CA 3.43Å; D151-V154 WeakPolarHBondContact O-CB 3.27Å; D151-V154 WeakPolarHBondContact O-CG2 3.22Å; D151-V154 PolarHBondContact O-N 3.1Å; D151-Q191 VanDerWaalsContact OD1-CG 3.24Å; D151-Q191 WeakPolarHBondContact OD1-CG 3.43Å; D151-Q191 PolarHBondContact OD1-NE2 3.43Å; D151-Q191 VanDerWaalsContact OD1-NE2 3.13Å; D151-T212 PolarHBondContact OD2-N 2.88Å
152	D	84.2	Confident	84.8	Confident	6 Å²	6	46.3 Å²	46.3	3%	0.032	23%	0.234	C	C	.	.	H	α-helix	trans	-66	-20.9	-175.1	-77.2	-65.9	0	0	0	109.3	R82 Y84 V150 V154 H155 V156 R184 V186	R82-D152 IonicContact NH1-OD1 3.55Å; Y84-D152 HydrophobicContact CE2-CB 4.1Å; Y84-D152 WeakPolarHBondContact CE2-OD2 3.4Å; Y84-D152 PolarHBondContact OH-N 2.86Å; Y84-D152 PolarHBondContact OH-OD2 2.94Å; V150-D152 PolarHBondContact O-N 3.22Å; D152-V154 PolarHBondContact O-N 3.49Å; D152-H155 WeakPolarHBondContact O-CB 3.43Å; D152-H155 PolarHBondContact O-N 2.95Å; D152-H155 IonicContact OD1-CD2 2.75Å; D152-V156 WeakPolarHBondContact O-CG2 3.47Å; D152-V156 PolarHBondContact O-N 3.19Å; D152-R184 IonicContact OD1-NH1 2.81Å; D152-V186 HydrophobicContact CB-CG1 3.63Å; D152-V186 HydrophobicContact CB-CG2 4.34Å
153	I	89.5	Confident	85.2	Confident	4 Å²	4	43.5 Å²	43.5	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-57.6	-31.4	167.8	-168.9	61.4	0	0	0	112	D151 V156 L157 Q191 L192 I209 L211	D151-I153 HydrophobicContact CB-CG2 3.77Å; D151-I153 PolarHBondContact O-N 2.83Å; D151-I153 VanDerWaalsContact O-N 3.14Å; I153-V156 HydrophobicContact CD1-CB 4.24Å; I153-V156 HydrophobicContact CD1-CG1 4.28Å; I153-V156 PolarHBondContact O-N 2.87Å; I153-L157 HydrophobicContact CG1-CD1 4.39Å; I153-L157 HydrophobicContact CG1-CG 4.42Å; I153-L157 WeakPolarHBondContact O-CB 3.27Å; I153-L157 WeakPolarHBondContact O-CG 3.45Å; I153-L157 PolarHBondContact O-N 3.29Å; I153-Q191 HydrophobicContact CB-CB 3.86Å; I153-Q191 HydrophobicContact CB-CG 4.02Å; I153-Q191 HydrophobicContact CG1-CB 4.08Å; I153-Q191 HydrophobicContact CG2-CB 4.07Å; I153-Q191 HydrophobicContact CG2-CG 3.97Å; I153-L192 HydrophobicContact CD1-CD2 3.74Å; I153-L192 HydrophobicContact CD1-CG 4.14Å; I153-L192 HydrophobicContact CG1-CD2 4.49Å; I153-I209 HydrophobicContact CG1-CG2 4.27Å; I153-L211 HydrophobicContact CG2-CD2 3.58Å
154	V	91.3	Very high	85.8	Confident	4 Å²	4	46.2 Å²	46.2	2%	0.024	23%	0.229	C	C	.	.	H	α-helix	trans	-62.2	-46.2	173.2	-179.3	0	0	0	0	110.1	L116 V150 D151 D152 V156 L157 E158 L211	L116-V154 HydrophobicContact CD2-CG1 4.06Å; V150-V154 HydrophobicContact CG1-CB 4.15Å; V150-V154 HydrophobicContact CG1-CG2 3.81Å; D151-V154 HydrophobicContact CB-CG2 4.43Å; D151-V154 WeakPolarHBondContact O-CA 3.43Å; D151-V154 WeakPolarHBondContact O-CB 3.27Å; D151-V154 WeakPolarHBondContact O-CG2 3.22Å; D151-V154 PolarHBondContact O-N 3.1Å; D152-V154 PolarHBondContact O-N 3.49Å; V154-V156 VanDerWaalsContact C-N 3.34Å; V154-V156 PolarHBondContact O-N 3.06Å; V154-L157 PolarHBondContact O-N 3.44Å; V154-E158 WeakPolarHBondContact O-CG 3.49Å; V154-E158 PolarHBondContact O-N 3.13Å; V154-L211 HydrophobicContact CG2-CD2 3.87Å
155	H	89.1	Confident	86.6	Confident	64 Å²	64	46.1 Å²	46.1	30%	0.296	24%	0.24	S	C	.	.	H	α-helix	trans	-63.7	-38.8	175.9	-65.3	-45.4	0	0	0	112.5	D152 L157 E158 E159	D152-H155 WeakPolarHBondContact O-CB 3.43Å; D152-H155 PolarHBondContact O-N 2.95Å; D152-H155 IonicContact OD1-CD2 2.75Å; H155-L157 VanDerWaalsContact C-N 3.33Å; H155-L157 PolarHBondContact O-N 2.81Å; H155-E158 IonicContact ND1-OE2 3.87Å; H155-E158 PolarHBondContact ND1-OE2 3.36Å; H155-E158 PolarHBondContact O-N 3.34Å; H155-E159 WeakPolarHBondContact O-CB 3.39Å; H155-E159 PolarHBondContact O-N 2.87Å
156	V	90.9	Very high	87.2	Confident	2 Å²	2	45 Å²	45	1%	0.012	24%	0.238	C	C	.	.	H	α-helix	trans	-62.1	-40.9	174	172.5	0	0	0	0	111.1	D152 I153 V154 E159 L160 F171 I173 T178 L180	D152-V156 WeakPolarHBondContact O-CG2 3.47Å; D152-V156 PolarHBondContact O-N 3.19Å; I153-V156 HydrophobicContact CD1-CB 4.24Å; I153-V156 HydrophobicContact CD1-CG1 4.28Å; I153-V156 PolarHBondContact O-N 2.87Å; V154-V156 VanDerWaalsContact C-N 3.34Å; V154-V156 PolarHBondContact O-N 3.06Å; V156-E159 PolarHBondContact O-N 2.62Å; V156-L160 VanDerWaalsContact O-CB 3.32Å; V156-L160 WeakPolarHBondContact O-CB 3.5Å; V156-L160 PolarHBondContact O-N 3.25Å; V156-F171 HydrophobicContact CG1-CZ 4.26Å; V156-I173 HydrophobicContact CG1-CD1 3.65Å; V156-I173 HydrophobicContact CG1-CG1 3.86Å; V156-I173 HydrophobicContact CG1-CG2 4.43Å; V156-T178 HydrophobicContact CG2-CG2 4.06Å; V156-L180 HydrophobicContact CG2-CD2 3.66Å
157	L	93.2	Very high	87.2	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-70.2	-40.5	178.5	-71.2	174.1	0	0	0	112.4	L107 T112 I115 L116 I153 V154 H155 E159 L160 K161 I209	L107-L157 HydrophobicContact CD2-CD2 3.88Å; T112-L157 HydrophobicContact CG2-CB 4.02Å; T112-L157 HydrophobicContact CG2-CD2 3.95Å; I115-L157 HydrophobicContact CB-CD1 4.31Å; I115-L157 HydrophobicContact CG2-CD1 3.65Å; L116-L157 HydrophobicContact CD2-CB 4.06Å; L116-L157 HydrophobicContact CG-CB 4.38Å; I153-L157 HydrophobicContact CG1-CD1 4.39Å; I153-L157 HydrophobicContact CG1-CG 4.42Å; I153-L157 WeakPolarHBondContact O-CB 3.27Å; I153-L157 WeakPolarHBondContact O-CG 3.45Å; I153-L157 PolarHBondContact O-N 3.29Å; V154-L157 PolarHBondContact O-N 3.44Å; H155-L157 VanDerWaalsContact C-N 3.33Å; H155-L157 PolarHBondContact O-N 2.81Å; L157-E159 VanDerWaalsContact C-N 3.32Å; L157-L160 PolarHBondContact O-N 2.85Å; L157-K161 WeakPolarHBondContact O-CB 3.33Å; L157-K161 PolarHBondContact O-N 2.89Å; L157-I209 HydrophobicContact CD1-CD1 4.38Å; L157-I209 HydrophobicContact CD2-CD1 4.12Å
158	E	92.3	Very high	87	Confident	78 Å²	78	47.4 Å²	47.4	36%	0.364	25%	0.246	S	C	.	.	H	α-helix	trans	-60.7	-43.1	171.9	-71.9	174.4	159.7	0	0	111.1	L116 V154 H155 K161 N162	L116-E158 HydrophobicContact CD1-CG 4.29Å; L116-E158 HydrophobicContact CD2-CG 3.72Å; V154-E158 WeakPolarHBondContact O-CG 3.49Å; V154-E158 PolarHBondContact O-N 3.13Å; H155-E158 IonicContact ND1-OE2 3.87Å; H155-E158 PolarHBondContact ND1-OE2 3.36Å; H155-E158 PolarHBondContact O-N 3.34Å; E158-K161 PolarHBondContact O-N 2.84Å; E158-N162 WeakPolarHBondContact O-CB 3.35Å; E158-N162 PolarHBondContact O-N 3.23Å; E158-N162 PolarHBondContact O-ND2 2.85Å; E158-N162 VanDerWaalsContact O-ND2 3.16Å
159	E	89.7	Confident	86.2	Confident	19 Å²	19	51.7 Å²	51.7	9%	0.089	27%	0.271	C	S	.	.	H	α-helix	trans	-65.1	-43.8	175.9	-175.4	173	177.9	0	0	112.1	H155 V156 L157 K161 N162 A163 F171 K181	H155-E159 WeakPolarHBondContact O-CB 3.39Å; H155-E159 PolarHBondContact O-N 2.87Å; V156-E159 PolarHBondContact O-N 2.62Å; L157-E159 VanDerWaalsContact C-N 3.32Å; E159-K161 VanDerWaalsContact C-N 3.29Å; E159-K161 PolarHBondContact O-N 2.87Å; E159-N162 PolarHBondContact O-N 2.91Å; E159-A163 WeakPolarHBondContact O-CB 3.5Å; E159-A163 PolarHBondContact O-N 3.25Å; E159-F171 HydrophobicContact CB-CE2 4.3Å; E159-F171 HydrophobicContact CB-CZ 4.08Å; E159-F171 HydrophobicContact CG-CD2 3.91Å; E159-F171 HydrophobicContact CG-CE1 4.36Å; E159-F171 HydrophobicContact CG-CE2 3.6Å; E159-F171 HydrophobicContact CG-CG 4.42Å; E159-F171 HydrophobicContact CG-CZ 3.83Å; E159-F171 WeakPolarHBondContact OE1-CD2 3.31Å; E159-F171 WeakPolarHBondContact OE1-CE2 3.14Å; E159-F171 WeakPolarHBondContact OE2-CE2 3.45Å; E159-K181 VanDerWaalsContact CD-CE 3.4Å; E159-K181 VanDerWaalsContact CD-CG 3.48Å; E159-K181 HydrophobicContact CG-CD 4.21Å; E159-K181 WeakPolarHBondContact OE1-CE 3.22Å; E159-K181 WeakPolarHBondContact OE1-CG 3.26Å; E159-K181 WeakPolarHBondContact OE2-CG 3.46Å
160	L	90.8	Very high	85.9	Confident	20 Å²	20	58 Å²	58	11%	0.105	31%	0.305	C	S	.	.	H	α-helix	trans	-58.6	-43	176.2	-176.3	62.6	0	0	0	111.3	L107 V156 L157 A163 R164 F171 I173	L107-L160 HydrophobicContact CB-CD2 4.28Å; L107-L160 HydrophobicContact CD2-CD2 4.41Å; L107-L160 WeakPolarHBondContact O-CD2 3.43Å; V156-L160 VanDerWaalsContact O-CB 3.32Å; V156-L160 WeakPolarHBondContact O-CB 3.5Å; V156-L160 PolarHBondContact O-N 3.25Å; L157-L160 PolarHBondContact O-N 2.85Å; L160-A163 PolarHBondContact O-N 2.86Å; L160-R164 WeakPolarHBondContact O-CG 3.38Å; L160-R164 PolarHBondContact O-N 2.85Å; L160-R164 VanDerWaalsContact O-N 3.1Å; L160-F171 HydrophobicContact CB-CD1 4.4Å; L160-F171 HydrophobicContact CB-CE1 3.89Å; L160-F171 HydrophobicContact CD1-CD1 3.85Å; L160-F171 HydrophobicContact CD1-CE1 3.94Å; L160-I173 HydrophobicContact CD1-CD1 4.49Å; L160-I173 HydrophobicContact CD2-CD1 4.18Å
161	K	91.6	Very high	85.9	Confident	91 Å²	91	58.8 Å²	58.8	40%	0.396	31%	0.307	S	S	.	.	H	α-helix	trans	-62.2	-46.6	174.7	177.7	176.5	178.7	156.2	0	111.8	T112 D113 L116 L157 E158 E159 R164 A165	T112-K161 HydrophobicContact CG2-CB 4.47Å; D113-K161 VanDerWaalsContact OD1-CD 3.29Å; D113-K161 WeakPolarHBondContact OD1-CD 3.45Å; D113-K161 WeakPolarHBondContact OD1-CE 3.49Å; D113-K161 IonicContact OD1-NZ 3.38Å; D113-K161 PolarHBondContact OD1-NZ 3.29Å; L116-K161 HydrophobicContact CD1-CB 4.42Å; L116-K161 HydrophobicContact CD1-CD 3.87Å; L157-K161 WeakPolarHBondContact O-CB 3.33Å; L157-K161 PolarHBondContact O-N 2.89Å; E158-K161 PolarHBondContact O-N 2.84Å; E159-K161 VanDerWaalsContact C-N 3.29Å; E159-K161 PolarHBondContact O-N 2.87Å; K161-R164 WeakPolarHBondContact O-CB 3.49Å; K161-R164 PolarHBondContact O-N 2.76Å; K161-A165 PolarHBondContact O-N 3.31Å
162	N	89.9	Confident	86	Confident	85 Å²	85	60.4 Å²	60.4	46%	0.455	32%	0.321	S	S	.	.	H	α-helix	trans	-66.7	-37.5	179.5	-70.4	-26.1	0	0	0	112.3	E158 E159 R164 A165 T166	E158-N162 WeakPolarHBondContact O-CB 3.35Å; E158-N162 PolarHBondContact O-N 3.23Å; E158-N162 PolarHBondContact O-ND2 2.85Å; E158-N162 VanDerWaalsContact O-ND2 3.16Å; E159-N162 PolarHBondContact O-N 2.91Å; N162-R164 VanDerWaalsContact C-N 3.34Å; N162-A165 PolarHBondContact O-N 2.77Å; N162-T166 PolarHBondContact O-N 2.71Å; N162-T166 PolarHBondContact O-OG1 3.46Å
163	A	88.1	Confident	86.2	Confident	8 Å²	8	60.7 Å²	60.7	7%	0.066	32%	0.322	C	S	.	.	H	α-helix	trans	-63.8	-39.3	175.5	0	0	0	0	0	111.5	E159 L160 T166 N167 R168 F171	E159-A163 WeakPolarHBondContact O-CB 3.5Å; E159-A163 PolarHBondContact O-N 3.25Å; L160-A163 PolarHBondContact O-N 2.86Å; A163-T166 PolarHBondContact O-N 2.89Å; A163-T166 PolarHBondContact O-OG1 2.97Å; A163-N167 PolarHBondContact O-N 3.07Å; A163-N167 VanDerWaalsContact O-N 3.09Å; A163-R168 HydrophobicContact CB-CB 4.3Å; A163-R168 PolarHBondContact O-N 2.98Å; A163-F171 HydrophobicContact CB-CB 3.86Å; A163-F171 HydrophobicContact CB-CD1 4.36Å; A163-F171 HydrophobicContact CB-CG 4.29Å
164	R	87.6	Confident	86.4	Confident	84 Å²	84	62.1 Å²	62.1	32%	0.317	33%	0.331	S	S	.	.	H	α-helix	trans	-64.6	-46.4	172.6	-73	169.8	174.2	152.3	2	112.3	L107 D108 T112 L160 K161 N162 T166 N167	L107-R164 VanDerWaalsContact O-CZ 3.24Å; L107-R164 PolarHBondContact O-NH1 2.81Å; L107-R164 PolarHBondContact O-NH2 2.73Å; D108-R164 VanDerWaalsContact C-NH1 3.26Å; D108-R164 PolarHBondContact O-NH1 3.14Å; T112-R164 PolarHBondContact OG1-NH1 3.45Å; L160-R164 WeakPolarHBondContact O-CG 3.38Å; L160-R164 PolarHBondContact O-N 2.85Å; L160-R164 VanDerWaalsContact O-N 3.1Å; K161-R164 WeakPolarHBondContact O-CB 3.49Å; K161-R164 PolarHBondContact O-N 2.76Å; N162-R164 VanDerWaalsContact C-N 3.34Å; R164-T166 PolarHBondContact O-N 2.87Å; R164-N167 PolarHBondContact O-N 3.15Å
165	A	86.6	Confident	86.4	Confident	84 Å²	84	62.7 Å²	62.7	69%	0.694	33%	0.333	S	S	*	.	H	α-helix	trans	-62.1	-29.1	178.5	0	0	0	0	0	113	K161 N162	K161-A165 PolarHBondContact O-N 3.31Å; N162-A165 PolarHBondContact O-N 2.77Å
166	T	86.1	Confident	86.5	Confident	102 Å²	102	60.5 Å²	60.5	63%	0.626	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	6.5	179.3	53.3	0	0	0	0	114	N162 A163 R164 R168	N162-T166 PolarHBondContact O-N 2.71Å; N162-T166 PolarHBondContact O-OG1 3.46Å; A163-T166 PolarHBondContact O-N 2.89Å; A163-T166 PolarHBondContact O-OG1 2.97Å; R164-T166 PolarHBondContact O-N 2.87Å; T166-R168 PolarHBondContact O-N 3.22Å
167	N	79.8	Confident	86.4	Confident	146 Å²	146	62.8 Å²	62.8	78%	0.781	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	31.8	-173.7	-76.6	-27.2	0	0	0	114.5	A163 R164 T169	A163-N167 PolarHBondContact O-N 3.07Å; A163-N167 VanDerWaalsContact O-N 3.09Å; R164-N167 PolarHBondContact O-N 3.15Å; N167-T169 PolarHBondContact O-N 3.12Å
168	R	76.5	Confident	86.3	Confident	147 Å²	147	62.9 Å²	62.9	56%	0.555	34%	0.336	S	S	*	.			trans	-80.4	102.6	177.1	-172.6	176.7	177.8	169.2	-2.6	110.4	A163 T166 N170	A163-R168 HydrophobicContact CB-CB 4.3Å; A163-R168 PolarHBondContact O-N 2.98Å; T166-R168 PolarHBondContact O-N 3.22Å; R168-N170 VanDerWaalsContact C-N 3.31Å; R168-N170 PolarHBondContact O-N 3.41Å
169	T	70.2	Confident	86.1	Confident	120 Å²	120	64.8 Å²	64.8	74%	0.736	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-15.2	-179.7	52.9	0	0	0	0	114.5	N167 F171	N167-T169 PolarHBondContact O-N 3.12Å; T169-F171 VanDerWaalsContact C-N 3.33Å; T169-F171 PolarHBondContact O-N 2.82Å
170	N	72.1	Confident	85.9	Confident	135 Å²	135	64.7 Å²	64.7	72%	0.722	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-8	-174.4	-67.5	-6	0	0	0	114.4	R168 A172	R168-N170 VanDerWaalsContact C-N 3.31Å; R168-N170 PolarHBondContact O-N 3.41Å; N170-A172 PolarHBondContact O-N 2.88Å
171	F	81.7	Confident	85.4	Confident	34 Å²	34	70.1 Å²	70.1	15%	0.149	37%	0.368	C	S	.	.			trans	-77.4	116.1	177.3	-177.3	-108.9	0	0	0	110.2	V156 E159 L160 A163 T169 I173	V156-F171 HydrophobicContact CG1-CZ 4.26Å; E159-F171 HydrophobicContact CB-CE2 4.3Å; E159-F171 HydrophobicContact CB-CZ 4.08Å; E159-F171 HydrophobicContact CG-CD2 3.91Å; E159-F171 HydrophobicContact CG-CE1 4.36Å; E159-F171 HydrophobicContact CG-CE2 3.6Å; E159-F171 HydrophobicContact CG-CG 4.42Å; E159-F171 HydrophobicContact CG-CZ 3.83Å; E159-F171 WeakPolarHBondContact OE1-CD2 3.31Å; E159-F171 WeakPolarHBondContact OE1-CE2 3.14Å; E159-F171 WeakPolarHBondContact OE2-CE2 3.45Å; L160-F171 HydrophobicContact CB-CD1 4.4Å; L160-F171 HydrophobicContact CB-CE1 3.89Å; L160-F171 HydrophobicContact CD1-CD1 3.85Å; L160-F171 HydrophobicContact CD1-CE1 3.94Å; A163-F171 HydrophobicContact CB-CB 3.86Å; A163-F171 HydrophobicContact CB-CD1 4.36Å; A163-F171 HydrophobicContact CB-CG 4.29Å; T169-F171 VanDerWaalsContact C-N 3.33Å; T169-F171 PolarHBondContact O-N 2.82Å; F171-I173 HydrophobicContact CE1-CD1 4.18Å; F171-I173 HydrophobicContact CE1-CG1 3.72Å; F171-I173 HydrophobicContact CZ-CG1 4.02Å
172	A	83.9	Confident	84.8	Confident	36 Å²	36	69.1 Å²	69.1	30%	0.298	37%	0.367	S	S	.	.			trans	-129.3	122.2	-179.1	0	0	0	0	0	109.9	N170	N170-A172 PolarHBondContact O-N 2.88Å
173	I	90.3	Very high	84.5	Confident	12 Å²	12	66.5 Å²	66.5	6%	0.062	36%	0.36	C	S	.	.			trans	-80.5	128.2	172.9	-55.6	170.8	0	0	0	107.7	L107 V156 L160 F171 L192 V203	L107-I173 HydrophobicContact CD1-CD1 4.29Å; L107-I173 HydrophobicContact CD2-CD1 4.22Å; V156-I173 HydrophobicContact CG1-CD1 3.65Å; V156-I173 HydrophobicContact CG1-CG1 3.86Å; V156-I173 HydrophobicContact CG1-CG2 4.43Å; L160-I173 HydrophobicContact CD1-CD1 4.49Å; L160-I173 HydrophobicContact CD2-CD1 4.18Å; F171-I173 HydrophobicContact CE1-CD1 4.18Å; F171-I173 HydrophobicContact CE1-CG1 3.72Å; F171-I173 HydrophobicContact CZ-CG1 4.02Å; I173-L192 HydrophobicContact CG2-CD1 4.21Å; I173-V203 HydrophobicContact CB-CB 4.36Å; I173-V203 HydrophobicContact CB-CG2 4.35Å; I173-V203 HydrophobicContact CG2-CB 4.42Å; I173-V203 HydrophobicContact CG2-CG2 3.94Å; I173-V203 PolarHBondContact O-N 2.87Å
174	T	92.7	Very high	84.3	Confident	33 Å²	33	67.9 Å²	67.9	20%	0.202	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-106.7	160.1	173.8	49.9	0	0	0	0	111.4	I177 T178 N188 D201 R202	T174-I177 CarbonylContact C-O 3.57Å; T174-I177 WeakPolarHBondContact CB-O 3.45Å; T174-I177 PolarHBondContact OG1-O 2.78Å; T174-T178 WeakPolarHBondContact OG1-CA 3.29Å; T174-N188 PolarHBondContact O-ND2 3.43Å; T174-D201 CarbonylContact C-O 3.6Å; T174-D201 WeakPolarHBondContact CA-O 3.07Å; T174-R202 HydrophobicContact CG2-CG 4.34Å
175	Y	91.8	Very high	84.3	Confident	17 Å²	17	66 Å²	66	7%	0.067	37%	0.366	C	S	.	.	S	Bend	trans	-138.7	134.8	-175.3	-178.4	-99.8	0	0	0	111.1	N188 L192 V195 V197 D201 Y552	Y175-N188 WeakPolarHBondContact CD2-OD1 3.18Å; Y175-L192 HydrophobicContact CD2-CB 4.45Å; Y175-L192 HydrophobicContact CE2-CB 4.27Å; Y175-V195 HydrophobicContact CD1-CB 4.43Å; Y175-V195 HydrophobicContact CD1-CG1 4.18Å; Y175-V195 HydrophobicContact CD2-CB 4.38Å; Y175-V195 HydrophobicContact CD2-CG1 4.15Å; Y175-V195 HydrophobicContact CD2-CG2 4.01Å; Y175-V195 HydrophobicContact CE1-CB 4.24Å; Y175-V195 HydrophobicContact CE1-CG1 4.49Å; Y175-V195 HydrophobicContact CE2-CB 4.18Å; Y175-V195 HydrophobicContact CE2-CG1 4.45Å; Y175-V195 HydrophobicContact CE2-CG2 3.63Å; Y175-V195 HydrophobicContact CG-CB 4.49Å; Y175-V195 HydrophobicContact CG-CG1 3.99Å; Y175-V197 HydrophobicContact CD1-CG2 4.01Å; Y175-D201 PolarHBondContact N-O 2.76Å; Y175-D201 WeakPolarHBondContact O-CB 3.22Å; Y175-Y552 AromaticContact CE1-CE2 3.52Å; Y175-Y552 HydrophobicContact CE1-CE2 3.52Å; Y175-Y552 HydrophobicContact CE2-CE2 4.44Å; Y175-Y552 AromaticContact CZ-CE2 3.48Å; Y175-Y552 VanDerWaalsContact CZ-CE2 3.48Å; Y175-Y552 WeakPolarHBondContact OH-CD2 3.34Å; Y175-Y552 WeakPolarHBondContact OH-CE2 3.25Å
176	P	90.2	Very high	84.2	Confident	18 Å²	18	62.6 Å²	62.6	12%	0.117	34%	0.336	C	S	.	.	S	Bend	cis	-91.3	3.1	7.2	37.8	-38.2	0	0	0	114.4	Y187 N188 Y552 V583	P176-Y187 HydrophobicContact CB-CD2 4.13Å; P176-Y187 HydrophobicContact CB-CE2 3.7Å; P176-Y187 HydrophobicContact CG-CE2 4.27Å; P176-Y187 CarbonylContact O-C 3.21Å; P176-Y187 WeakPolarHBondContact O-CA 3.46Å; P176-Y187 WeakPolarHBondContact O-CD2 3.4Å; P176-N188 WeakPolarHBondContact CA-OD1 3.45Å; P176-N188 PolarHBondContact O-N 2.84Å; P176-N188 PolarHBondContact O-OD1 3.33Å; P176-Y552 HydrophobicContact CB-CE1 4.44Å; P176-Y552 HydrophobicContact CB-CE2 3.82Å; P176-Y552 HydrophobicContact CG-CE1 4.29Å; P176-Y552 HydrophobicContact CG-CE2 4.42Å; P176-Y552 WeakPolarHBondContact CG-OH 3.25Å; P176-V583 HydrophobicContact CG-CG1 3.98Å; P176-V583 HydrophobicContact CG-CG2 4Å
177	I	89.7	Confident	84.2	Confident	50 Å²	50	58.2 Å²	58.2	26%	0.256	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	129.9	176.2	-61.5	175.5	0	0	0	108.2	T174 A185 V186 Y187 V583	T174-I177 CarbonylContact C-O 3.57Å; T174-I177 WeakPolarHBondContact CB-O 3.45Å; T174-I177 PolarHBondContact OG1-O 2.78Å; I177-A185 HydrophobicContact CG2-CB 3.9Å; I177-V186 CarbonylContact C-O 3.52Å; I177-V186 WeakPolarHBondContact CA-O 3.43Å; I177-Y187 HydrophobicContact CG1-CD2 4.41Å; I177-V583 HydrophobicContact CD1-CG1 3.75Å; I177-V583 HydrophobicContact CG1-CG1 4.06Å
178	T	90.6	Very high	84.6	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.006	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	150	174.7	-165.5	0	0	0	0	111.1	V156 T174 V186 N188	V156-T178 HydrophobicContact CG2-CG2 4.06Å; T174-T178 WeakPolarHBondContact OG1-CA 3.29Å; T178-V186 HydrophobicContact CG2-CB 4.46Å; T178-V186 PolarHBondContact N-O 3.09Å; T178-V186 PolarHBondContact O-N 2.66Å; T178-N188 HydrophobicContact CG2-CB 4.5Å
179	H	88.2	Confident	85.1	Confident	119 Å²	119	44.5 Å²	44.5	55%	0.551	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	128.8	175.2	-68.1	-80.6	0	0	0	110.6	R184	H179-R184 WeakPolarHBondContact CA-O 3.28Å
180	L	85.3	Confident	85.9	Confident	16 Å²	16	40.4 Å²	40.4	8%	0.084	22%	0.219	C	C	.	.			trans	-81.2	167.2	173.6	-64.5	179.3	0	0	0	111.2	V156 D182 G183 R184 V186	V156-L180 HydrophobicContact CG2-CD2 3.66Å; L180-D182 VanDerWaalsContact CB-OD1 3.29Å; L180-D182 WeakPolarHBondContact CB-OD1 3.36Å; L180-D182 PolarHBondContact O-N 3.04Å; L180-G183 WeakPolarHBondContact O-CA 3.32Å; L180-G183 PolarHBondContact O-N 3.44Å; L180-R184 HydrophobicContact CD1-CB 4.43Å; L180-R184 VanDerWaalsContact CD1-NH2 3.31Å; L180-R184 PolarHBondContact N-O 3.32Å; L180-V186 HydrophobicContact CD1-CG2 3.67Å; L180-V186 HydrophobicContact CG-CG2 3.95Å
181	K	80.6	Confident	86.7	Confident	134 Å²	134	34.1 Å²	34.1	58%	0.583	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-33.3	175	-81.2	172.3	171.7	167.1	0	114.9	E159 G183	E159-K181 VanDerWaalsContact CD-CE 3.4Å; E159-K181 VanDerWaalsContact CD-CG 3.48Å; E159-K181 HydrophobicContact CG-CD 4.21Å; E159-K181 WeakPolarHBondContact OE1-CE 3.22Å; E159-K181 WeakPolarHBondContact OE1-CG 3.26Å; E159-K181 WeakPolarHBondContact OE2-CG 3.46Å; K181-G183 PolarHBondContact O-N 2.77Å
182	D	79.4	Confident	87.3	Confident	70 Å²	70	32.5 Å²	32.5	37%	0.374	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	0.9	178.9	60.2	14	0	0	0	113	L180 R184	L180-D182 VanDerWaalsContact CB-OD1 3.29Å; L180-D182 WeakPolarHBondContact CB-OD1 3.36Å; L180-D182 PolarHBondContact O-N 3.04Å; D182-R184 VanDerWaalsContact C-N 3.32Å; D182-R184 VanDerWaalsContact OD1-CB 3.27Å; D182-R184 WeakPolarHBondContact OD1-CB 3.42Å; D182-R184 WeakPolarHBondContact OD1-CG 3.13Å; D182-R184 PolarHBondContact OD1-N 3.43Å; D182-R184 IonicContact OD1-NE 2.71Å; D182-R184 IonicContact OD2-CZ 2.79Å; D182-R184 IonicContact OD2-NE 3.54Å; D182-R184 PolarHBondContact OD2-NE 3.02Å; D182-R184 IonicContact OD2-NH2 3.2Å; D182-R184 PolarHBondContact OD2-NH2 3.3Å
183	G	83	Confident	87.7	Confident	31 Å²	31	30.8 Å²	30.8	32%	0.32	16%	0.164	S	C	.	.	S	Bend	trans	86	-6	-179.2	0	0	0	0	0	114.4	L180 K181 A185	L180-G183 WeakPolarHBondContact O-CA 3.32Å; L180-G183 PolarHBondContact O-N 3.44Å; K181-G183 PolarHBondContact O-N 2.77Å; G183-A185 PolarHBondContact O-N 3.02Å
184	R	85.3	Confident	87.7	Confident	37 Å²	37	31.2 Å²	31.2	14%	0.14	17%	0.171	C	C	.	.			trans	-63.9	134.9	178.5	-70.4	-171.7	-69.9	126.4	7.5	110.6	D152 H179 L180 D182	D152-R184 IonicContact OD1-NH1 2.81Å; H179-R184 WeakPolarHBondContact CA-O 3.28Å; L180-R184 HydrophobicContact CD1-CB 4.43Å; L180-R184 VanDerWaalsContact CD1-NH2 3.31Å; L180-R184 PolarHBondContact N-O 3.32Å; D182-R184 VanDerWaalsContact C-N 3.32Å; D182-R184 VanDerWaalsContact OD1-CB 3.27Å; D182-R184 WeakPolarHBondContact OD1-CB 3.42Å; D182-R184 WeakPolarHBondContact OD1-CG 3.13Å; D182-R184 PolarHBondContact OD1-N 3.43Å; D182-R184 IonicContact OD1-NE 2.71Å; D182-R184 IonicContact OD2-CZ 2.79Å; D182-R184 IonicContact OD2-NE 3.54Å; D182-R184 PolarHBondContact OD2-NE 3.02Å; D182-R184 IonicContact OD2-NH2 3.2Å; D182-R184 PolarHBondContact OD2-NH2 3.3Å
185	A	86.2	Confident	87.7	Confident	43 Å²	43	30.5 Å²	30.5	36%	0.355	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	126.6	171	0	0	0	0	0	109.2	I177 G183	I177-A185 HydrophobicContact CG2-CB 3.9Å; G183-A185 PolarHBondContact O-N 3.02Å
186	V	84.5	Confident	87.7	Confident	13 Å²	13	32.4 Å²	32.4	8%	0.079	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	131.7	-176.6	177.5	0	0	0	0	109.6	D152 I177 T178 L180	D152-V186 HydrophobicContact CB-CG1 3.63Å; D152-V186 HydrophobicContact CB-CG2 4.34Å; I177-V186 CarbonylContact C-O 3.52Å; I177-V186 WeakPolarHBondContact CA-O 3.43Å; T178-V186 HydrophobicContact CG2-CB 4.46Å; T178-V186 PolarHBondContact N-O 3.09Å; T178-V186 PolarHBondContact O-N 2.66Å; L180-V186 HydrophobicContact CD1-CG2 3.67Å; L180-V186 HydrophobicContact CG-CG2 3.95Å
187	Y	86.8	Confident	87.6	Confident	10 Å²	10	34.6 Å²	34.6	4%	0.039	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	122	172.9	179.4	-92.6	0	0	0	110.6	P176 I177 G189 H190 Q191 Y552 V555 V583 I585 V650	P176-Y187 HydrophobicContact CB-CD2 4.13Å; P176-Y187 HydrophobicContact CB-CE2 3.7Å; P176-Y187 HydrophobicContact CG-CE2 4.27Å; P176-Y187 CarbonylContact O-C 3.21Å; P176-Y187 WeakPolarHBondContact O-CA 3.46Å; P176-Y187 WeakPolarHBondContact O-CD2 3.4Å; I177-Y187 HydrophobicContact CG1-CD2 4.41Å; Y187-G189 VanDerWaalsContact CE1-CA 3.49Å; Y187-G189 VanDerWaalsContact CE1-N 3.35Å; Y187-G189 VanDerWaalsContact CZ-CA 3.44Å; Y187-G189 WeakPolarHBondContact OH-CA 3.47Å; Y187-H190 HydrophobicContact CE1-CB 4.43Å; Y187-H190 AromaticContact CE1-CD2 3.45Å; Y187-H190 VanDerWaalsContact CE1-CD2 3.45Å; Y187-H190 WeakPolarHBondContact CE1-CD2 3.42Å; Y187-H190 AromaticContact CE1-CG 4Å; Y187-H190 AromaticContact CE1-NE2 4Å; Y187-Q191 PolarHBondContact O-NE2 2.86Å; Y187-Q191 PolarHBondContact O-OE1 3.48Å; Y187-Y552 WeakPolarHBondContact OH-CB 3.25Å; Y187-Y552 WeakPolarHBondContact OH-CD2 3.41Å; Y187-Y552 VanDerWaalsContact OH-CG 3.29Å; Y187-V555 HydrophobicContact CE1-CG2 4.37Å; Y187-V583 HydrophobicContact CD2-CG1 4.14Å; Y187-V583 HydrophobicContact CE2-CG1 4.19Å; Y187-I585 HydrophobicContact CD2-CD1 4.43Å; Y187-I585 HydrophobicContact CG-CD1 3.93Å; Y187-V650 HydrophobicContact CD2-CG2 4.35Å; Y187-V650 HydrophobicContact CE1-CG2 4.4Å; Y187-V650 HydrophobicContact CE2-CB 4.16Å; Y187-V650 HydrophobicContact CE2-CG1 4.27Å; Y187-V650 HydrophobicContact CE2-CG2 3.88Å; Y187-V650 WeakPolarHBondContact OH-CG1 3.42Å
188	N	87.9	Confident	87.4	Confident	4 Å²	4	38.1 Å²	38.1	2%	0.021	21%	0.208	C	C	.	.			trans	-113.4	10.9	-179.2	66.5	2.7	0	0	0	113.5	T174 Y175 P176 T178 H190 Q191 L192	T174-N188 PolarHBondContact O-ND2 3.43Å; Y175-N188 WeakPolarHBondContact CD2-OD1 3.18Å; P176-N188 WeakPolarHBondContact CA-OD1 3.45Å; P176-N188 PolarHBondContact O-N 2.84Å; P176-N188 PolarHBondContact O-OD1 3.33Å; T178-N188 HydrophobicContact CG2-CB 4.5Å; N188-H190 VanDerWaalsContact C-N 3.29Å; N188-H190 PolarHBondContact O-N 3.24Å; N188-Q191 PolarHBondContact O-N 3.02Å; N188-Q191 PolarHBondContact O-OE1 3.3Å; N188-L192 HydrophobicContact CB-CD1 4.45Å; N188-L192 HydrophobicContact CB-CG 4.49Å; N188-L192 PolarHBondContact O-N 3.33Å
189	G	87.4	Confident	87.1	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.01	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-15.7	-175.3	0	0	0	0	0	115.8	Y187	Y187-G189 VanDerWaalsContact CE1-CA 3.49Å; Y187-G189 VanDerWaalsContact CE1-N 3.35Å; Y187-G189 VanDerWaalsContact CZ-CA 3.44Å; Y187-G189 WeakPolarHBondContact OH-CA 3.47Å
190	H	86.5	Confident	86.6	Confident	35 Å²	35	44.8 Å²	44.8	16%	0.162	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	1.4	172.4	-65.9	-53	0	0	0	113.1	Y187 N188 Q210 F549 S553 V555	Y187-H190 HydrophobicContact CE1-CB 4.43Å; Y187-H190 AromaticContact CE1-CD2 3.45Å; Y187-H190 VanDerWaalsContact CE1-CD2 3.45Å; Y187-H190 WeakPolarHBondContact CE1-CD2 3.42Å; Y187-H190 AromaticContact CE1-CG 4Å; Y187-H190 AromaticContact CE1-NE2 4Å; N188-H190 VanDerWaalsContact C-N 3.29Å; N188-H190 PolarHBondContact O-N 3.24Å; H190-Q210 WeakPolarHBondContact O-CB 3.38Å; H190-Q210 PolarHBondContact O-NE2 2.82Å; H190-F549 WeakPolarHBondContact O-CE1 2.78Å; H190-S553 PolarHBondContact CE1-O 3.07Å; H190-S553 PolarHBondContact NE2-O 3.42Å; H190-S553 VanDerWaalsContact NE2-O 3.13Å; H190-V555 VanDerWaalsContact CD2-CG2 3.43Å; H190-V555 WeakPolarHBondContact CD2-CG2 3.22Å; H190-V555 WeakPolarHBondContact NE2-CG2 3.41Å
191	Q	89.7	Confident	86.6	Confident	3 Å²	3	48.9 Å²	48.9	1%	0.014	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-36.6	178	-65.8	87.3	-21	0	0	111	Y84 D151 I153 Y187 N188 I209 Q210	Y84-Q191 VanDerWaalsContact CG-NE2 3.25Å; D151-Q191 VanDerWaalsContact OD1-CG 3.24Å; D151-Q191 WeakPolarHBondContact OD1-CG 3.43Å; D151-Q191 PolarHBondContact OD1-NE2 3.43Å; D151-Q191 VanDerWaalsContact OD1-NE2 3.13Å; I153-Q191 HydrophobicContact CB-CB 3.86Å; I153-Q191 HydrophobicContact CB-CG 4.02Å; I153-Q191 HydrophobicContact CG1-CB 4.08Å; I153-Q191 HydrophobicContact CG2-CB 4.07Å; I153-Q191 HydrophobicContact CG2-CG 3.97Å; Y187-Q191 PolarHBondContact O-NE2 2.86Å; Y187-Q191 PolarHBondContact O-OE1 3.48Å; N188-Q191 PolarHBondContact O-N 3.02Å; N188-Q191 PolarHBondContact O-OE1 3.3Å; Q191-I209 CarbonylContact O-C 3.6Å; Q191-I209 VanDerWaalsContact O-CA 3.23Å; Q191-I209 WeakPolarHBondContact O-CA 3.45Å; Q191-Q210 PolarHBondContact O-N 2.83Å
192	L	93.5	Very high	87	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	123	173.7	-61.3	-178.8	0	0	0	110	L107 I153 I173 Y175 N188 V195 V203 A206 I209 F549	L107-L192 HydrophobicContact CD2-CD2 4.1Å; I153-L192 HydrophobicContact CD1-CD2 3.74Å; I153-L192 HydrophobicContact CD1-CG 4.14Å; I153-L192 HydrophobicContact CG1-CD2 4.49Å; I173-L192 HydrophobicContact CG2-CD1 4.21Å; Y175-L192 HydrophobicContact CD2-CB 4.45Å; Y175-L192 HydrophobicContact CE2-CB 4.27Å; N188-L192 HydrophobicContact CB-CD1 4.45Å; N188-L192 HydrophobicContact CB-CG 4.49Å; N188-L192 PolarHBondContact O-N 3.33Å; L192-V195 HydrophobicContact CB-CG2 3.5Å; L192-V203 HydrophobicContact CD1-CG2 4.18Å; L192-A206 HydrophobicContact CB-CB 4.36Å; L192-A206 HydrophobicContact CD2-CB 4.09Å; L192-I209 HydrophobicContact CD2-CD1 4.36Å; L192-I209 HydrophobicContact CD2-CG1 4.01Å; L192-F549 VanDerWaalsContact C-CE1 3.42Å
193	G	91.5	Very high	87.7	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	152.3	178.5	0	0	0	0	0	112.2	V195 E207 A208 Y548 F549	G193-V195 VanDerWaalsContact C-N 3.3Å; G193-V195 PolarHBondContact O-N 3Å; G193-E207 PolarHBondContact O-N 2.82Å; G193-A208 PolarHBondContact N-O 3.01Å; G193-A208 PolarHBondContact O-N 3.41Å; G193-Y548 CarbonylContact C-O 3.52Å; G193-Y548 WeakPolarHBondContact CA-O 3.21Å; G193-F549 VanDerWaalsContact CA-CE1 3.5Å; G193-F549 VanDerWaalsContact N-CE1 3.29Å
194	G	91.1	Very high	88	Confident	20 Å²	20	51.9 Å²	51.9	21%	0.206	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	56.5	43.9	-175.8	0	0	0	0	0	112.5	E207 Y548	G194-E207 PolarHBondContact O-N 2.81Å; G194-Y548 PolarHBondContact N-O 3.44Å
195	V	92.5	Very high	88.4	Confident	18 Å²	18	51.4 Å²	51.4	11%	0.109	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	127.4	-172.3	-174.5	0	0	0	0	110.8	Y175 L192 G193 V197 V203 S205 A206	Y175-V195 HydrophobicContact CD1-CB 4.43Å; Y175-V195 HydrophobicContact CD1-CG1 4.18Å; Y175-V195 HydrophobicContact CD2-CB 4.38Å; Y175-V195 HydrophobicContact CD2-CG1 4.15Å; Y175-V195 HydrophobicContact CD2-CG2 4.01Å; Y175-V195 HydrophobicContact CE1-CB 4.24Å; Y175-V195 HydrophobicContact CE1-CG1 4.49Å; Y175-V195 HydrophobicContact CE2-CB 4.18Å; Y175-V195 HydrophobicContact CE2-CG1 4.45Å; Y175-V195 HydrophobicContact CE2-CG2 3.63Å; Y175-V195 HydrophobicContact CG-CB 4.49Å; Y175-V195 HydrophobicContact CG-CG1 3.99Å; L192-V195 HydrophobicContact CB-CG2 3.5Å; G193-V195 VanDerWaalsContact C-N 3.3Å; G193-V195 PolarHBondContact O-N 3Å; V195-V197 HydrophobicContact CG1-CG2 3.85Å; V195-V203 HydrophobicContact CG1-CG1 3.98Å; V195-V203 HydrophobicContact CG1-CG2 4.06Å; V195-S205 CarbonylContact C-O 3.53Å; V195-S205 WeakPolarHBondContact CA-O 3.32Å; V195-A206 HydrophobicContact CG2-CB 4.26Å
196	T	91.4	Very high	88.8	Confident	58 Å²	58	49.4 Å²	49.4	36%	0.356	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	130.4	165.2	73.3	0	0	0	0	109.3	K204 S205	T196-K204 WeakPolarHBondContact O-CB 3.32Å; T196-K204 PolarHBondContact O-N 3.48Å; T196-S205 PolarHBondContact N-O 2.94Å; T196-S205 PolarHBondContact O-N 2.85Å; T196-S205 PolarHBondContact OG1-N 3.13Å; T196-S205 PolarHBondContact OG1-OG 2.69Å
197	V	89.2	Confident	89.3	Confident	63 Å²	63	51.1 Å²	51.1	38%	0.382	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	141.9	-171.9	-171.8	0	0	0	0	109.1	Y175 V195 D201 R202	Y175-V197 HydrophobicContact CD1-CG2 4.01Å; V195-V197 HydrophobicContact CG1-CG2 3.85Å; V197-D201 VanDerWaalsContact CG1-C 3.4Å; V197-R202 CarbonylContact C-O 3.48Å; V197-R202 WeakPolarHBondContact CA-O 3.36Å; V197-R202 WeakPolarHBondContact CG1-O 3.42Å
198	H	85.5	Confident	89.7	Confident	124 Å²	124	50.6 Å²	50.6	57%	0.574	26%	0.257	S	S	*	.			trans	-92.5	-170.2	173.3	-163.3	64.3	0	0	0	110.8	R202	H198-R202 HydrophobicContact CB-CB 4.45Å; H198-R202 PolarHBondContact N-O 3.28Å
199	S	83.2	Confident	90.1	Very high	76 Å²	76	50.4 Å²	50.4	53%	0.531	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-55.8	141.3	168.6	60	0	0	0	0	111.5
200	K	77.8	Confident	90.4	Very high	184 Å²	184	50.9 Å²	50.9	80%	0.8	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	62.7	42.7	179.1	-51.4	-179.9	178.6	-178	0	115	R202	K200-R202 PolarHBondContact O-N 2.77Å
201	D	85.1	Confident	90.7	Very high	103 Å²	103	49.3 Å²	49.3	55%	0.551	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	61.4	15	172.7	-61.7	-31.8	0	0	0	115.7	T174 Y175 V197	T174-D201 CarbonylContact C-O 3.6Å; T174-D201 WeakPolarHBondContact CA-O 3.07Å; Y175-D201 PolarHBondContact N-O 2.76Å; Y175-D201 WeakPolarHBondContact O-CB 3.22Å; V197-D201 VanDerWaalsContact CG1-C 3.4Å
202	R	90.3	Very high	90.6	Very high	121 Å²	121	49.3 Å²	49.3	46%	0.457	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-76.7	129.9	178.2	-68	-175	66.4	176.5	3.4	111.2	T174 V197 H198 K200 K204	T174-R202 HydrophobicContact CG2-CG 4.34Å; V197-R202 CarbonylContact C-O 3.48Å; V197-R202 WeakPolarHBondContact CA-O 3.36Å; V197-R202 WeakPolarHBondContact CG1-O 3.42Å; H198-R202 HydrophobicContact CB-CB 4.45Å; H198-R202 PolarHBondContact N-O 3.28Å; K200-R202 PolarHBondContact O-N 2.77Å; R202-K204 PolarHBondContact O-N 3.19Å
203	V	92.6	Very high	90.5	Very high	25 Å²	25	49.4 Å²	49.4	15%	0.152	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	121.2	177.4	179.5	0	0	0	0	110.3	L107 I173 L192 V195	L107-V203 HydrophobicContact CD1-CB 4.45Å; L107-V203 HydrophobicContact CD1-CG1 3.49Å; L107-V203 VanDerWaalsContact CD1-CG1 3.49Å; I173-V203 HydrophobicContact CB-CB 4.36Å; I173-V203 HydrophobicContact CB-CG2 4.35Å; I173-V203 HydrophobicContact CG2-CB 4.42Å; I173-V203 HydrophobicContact CG2-CG2 3.94Å; I173-V203 PolarHBondContact O-N 2.87Å; L192-V203 HydrophobicContact CD1-CG2 4.18Å; V195-V203 HydrophobicContact CG1-CG1 3.98Å; V195-V203 HydrophobicContact CG1-CG2 4.06Å
204	K	90.1	Very high	90.2	Very high	151 Å²	151	49.8 Å²	49.8	66%	0.657	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	-48.2	170.8	178.8	-174.4	178.5	-174.6	0	110.5	T196 R202	T196-K204 WeakPolarHBondContact O-CB 3.32Å; T196-K204 PolarHBondContact O-N 3.48Å; R202-K204 PolarHBondContact O-N 3.19Å
205	S	92.9	Very high	90	Very high	28 Å²	28	49.1 Å²	49.1	20%	0.196	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	157.3	175.7	68	0	0	0	0	111.5	N105 V195 T196	N105-S205 WeakPolarHBondContact OD1-CA 3.15Å; V195-S205 CarbonylContact C-O 3.53Å; V195-S205 WeakPolarHBondContact CA-O 3.32Å; T196-S205 PolarHBondContact N-O 2.94Å; T196-S205 PolarHBondContact O-N 2.85Å; T196-S205 PolarHBondContact OG1-N 3.13Å; T196-S205 PolarHBondContact OG1-OG 2.69Å
206	A	95.3	Very high	89.5	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	132	166.4	0	0	0	0	0	109	N105 M106 L107 L192 V195	N105-A206 PolarHBondContact OD1-N 2.86Å; N105-A206 PolarHBondContact OD1-O 3.38Å; M106-A206 PolarHBondContact N-O 2.58Å; L107-A206 HydrophobicContact CD1-CB 4.14Å; L107-A206 HydrophobicContact CG-CB 4.23Å; L192-A206 HydrophobicContact CB-CB 4.36Å; L192-A206 HydrophobicContact CD2-CB 4.09Å; V195-A206 HydrophobicContact CG2-CB 4.26Å
207	E	95.1	Very high	88.8	Confident	49 Å²	49	49.8 Å²	49.8	23%	0.229	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	-21.5	179.2	-67.3	-169.5	-169.1	0	0	113	M106 G193 G194 Y548	M106-E207 VanDerWaalsContact CG-O 3.24Å; M106-E207 WeakPolarHBondContact CG-O 3.43Å; G193-E207 PolarHBondContact O-N 2.82Å; G194-E207 PolarHBondContact O-N 2.81Å; E207-Y548 HydrophobicContact CB-CD1 4.19Å; E207-Y548 HydrophobicContact CB-CE1 4Å
208	A	95.7	Very high	88.1	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	146.4	-177.4	0	0	0	0	0	111.9	I97 V98 T99 G193 Y548 F549	I97-A208 HydrophobicContact CG2-CB 4.22Å; V98-A208 WeakPolarHBondContact O-CA 3.38Å; T99-A208 HydrophobicContact CG2-CB 3.74Å; G193-A208 PolarHBondContact N-O 3.01Å; G193-A208 PolarHBondContact O-N 3.41Å; A208-Y548 HydrophobicContact CB-CD1 3.97Å; A208-Y548 HydrophobicContact CB-CD2 4.18Å; A208-Y548 HydrophobicContact CB-CG 3.71Å; A208-F549 HydrophobicContact CB-CE2 4.01Å; A208-F549 HydrophobicContact CB-CZ 3.99Å
209	I	95.9	Very high	88	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	128.4	169.6	-67.1	179.7	0	0	0	109.3	I97 V98 M106 L107 I115 I153 L157 Q191 L192 L211	I97-I209 CarbonylContact C-O 3.43Å; V98-I209 PolarHBondContact N-O 2.91Å; V98-I209 PolarHBondContact O-N 3.13Å; M106-I209 HydrophobicContact CB-CD1 3.7Å; M106-I209 HydrophobicContact CB-CG1 3.77Å; L107-I209 HydrophobicContact CD2-CD1 3.94Å; I115-I209 HydrophobicContact CD1-CB 4.07Å; I115-I209 HydrophobicContact CD1-CD1 3.57Å; I115-I209 HydrophobicContact CD1-CG1 4.27Å; I115-I209 HydrophobicContact CD1-CG2 4.34Å; I153-I209 HydrophobicContact CG1-CG2 4.27Å; L157-I209 HydrophobicContact CD1-CD1 4.38Å; L157-I209 HydrophobicContact CD2-CD1 4.12Å; Q191-I209 CarbonylContact O-C 3.6Å; Q191-I209 VanDerWaalsContact O-CA 3.23Å; Q191-I209 WeakPolarHBondContact O-CA 3.45Å; L192-I209 HydrophobicContact CD2-CD1 4.36Å; L192-I209 HydrophobicContact CD2-CG1 4.01Å; I209-L211 HydrophobicContact CG2-CD2 4.29Å
210	Q	93.2	Very high	88.2	Confident	11 Å²	11	50.6 Å²	50.6	5%	0.051	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	132.9	173.4	-172.4	176.7	-81.9	0	0	109.9	V96 I97 H190 Q191 Y541 F549	V96-Q210 WeakPolarHBondContact O-CA 3.46Å; I97-Q210 HydrophobicContact CG1-CB 4.23Å; I97-Q210 HydrophobicContact CG1-CG 4.01Å; H190-Q210 WeakPolarHBondContact O-CB 3.38Å; H190-Q210 PolarHBondContact O-NE2 2.82Å; Q191-Q210 PolarHBondContact O-N 2.83Å; Q210-Y541 PolarHBondContact OE1-OH 2.97Å; Q210-F549 HydrophobicContact CB-CE1 4.05Å; Q210-F549 HydrophobicContact CB-CE2 4.3Å; Q210-F549 HydrophobicContact CB-CZ 3.66Å
211	L	92.6	Very high	88.6	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	135.6	171.7	-60.9	179.2	0	0	0	109.7	R95 V96 I115 I153 V154 I209 Y213	R95-L211 CarbonylContact C-O 3.56Å; R95-L211 VanDerWaalsContact CA-O 3.31Å; R95-L211 WeakPolarHBondContact CA-O 3.36Å; V96-L211 HydrophobicContact CG1-CB 3.93Å; V96-L211 HydrophobicContact CG1-CD1 4.42Å; V96-L211 PolarHBondContact N-O 3.41Å; V96-L211 PolarHBondContact O-N 2.72Å; I115-L211 HydrophobicContact CG2-CD1 3.86Å; I115-L211 HydrophobicContact CG2-CD2 4.49Å; I115-L211 HydrophobicContact CG2-CG 4.47Å; I153-L211 HydrophobicContact CG2-CD2 3.58Å; V154-L211 HydrophobicContact CG2-CD2 3.87Å; I209-L211 HydrophobicContact CG2-CD2 4.29Å; L211-Y213 HydrophobicContact CB-CE2 3.99Å
212	T	89	Confident	88.6	Confident	3 Å²	3	41.5 Å²	41.5	2%	0.018	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	137.7	173.5	-48.6	0	0	0	0	112.3	G94 R95 D151 Y214	G94-T212 CarbonylContact O-C 3.53Å; G94-T212 WeakPolarHBondContact O-CA 3.41Å; R95-T212 HydrophobicContact CG-CG2 3.54Å; R95-T212 WeakPolarHBondContact CG-OG1 3.48Å; R95-T212 PolarHBondContact NE-OG1 3.27Å; D151-T212 PolarHBondContact OD2-N 2.88Å; T212-Y214 HydrophobicContact CG2-CD1 3.94Å; T212-Y214 HydrophobicContact CG2-CD2 4.35Å; T212-Y214 HydrophobicContact CG2-CE1 3.28Å; T212-Y214 HydrophobicContact CG2-CE2 3.83Å; T212-Y214 HydrophobicContact CG2-CG 4.41Å; T212-Y214 WeakPolarHBondContact CG2-OH 3.34Å
213	Y	89.7	Confident	88.5	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.008	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	108.2	178.1	-60.7	-88.1	0	0	0	109	Y93 G94 H119 V122 F136 L211 W229 F233	Y93-Y213 CarbonylContact C-O 3.51Å; Y93-Y213 WeakPolarHBondContact CA-O 3.33Å; Y93-Y213 WeakPolarHBondContact CB-O 3.32Å; G94-Y213 PolarHBondContact N-O 2.87Å; G94-Y213 PolarHBondContact O-N 3.48Å; H119-Y213 WeakPolarHBondContact CA-OH 3.18Å; H119-Y213 AromaticContact CE1-CE1 3.9Å; H119-Y213 AromaticContact ND1-CE1 3.47Å; H119-Y213 WeakPolarHBondContact ND1-CE1 3.27Å; H119-Y213 AromaticContact ND1-CZ 3.74Å; H119-Y213 PolarHBondContact ND1-OH 2.67Å; H119-Y213 VanDerWaalsContact ND1-OH 3.13Å; V122-Y213 HydrophobicContact CB-CE1 4.17Å; V122-Y213 HydrophobicContact CB-CE2 4.42Å; V122-Y213 HydrophobicContact CG1-CD1 3.77Å; V122-Y213 HydrophobicContact CG1-CD2 4.01Å; V122-Y213 HydrophobicContact CG1-CE1 3.56Å; V122-Y213 HydrophobicContact CG1-CE2 3.83Å; V122-Y213 HydrophobicContact CG1-CG 3.99Å; V122-Y213 HydrophobicContact CG2-CE2 4.46Å; F136-Y213 HydrophobicContact CE1-CD1 4.49Å; F136-Y213 HydrophobicContact CE2-CD1 4.15Å; F136-Y213 HydrophobicContact CZ-CD1 4.03Å; L211-Y213 HydrophobicContact CB-CE2 3.99Å; Y213-W229 HydrophobicContact CG-CH2 4.11Å; Y213-F233 AromaticContact CD2-CE2 3.69Å; Y213-F233 HydrophobicContact CD2-CE2 3.69Å; Y213-F233 HydrophobicContact CD2-CZ 4.21Å; Y213-F233 AromaticContact CE2-CE2 3.89Å; Y213-F233 HydrophobicContact CE2-CE2 3.89Å; Y213-F233 HydrophobicContact CE2-CZ 4.5Å
214	Y	85.8	Confident	88.4	Confident	9 Å²	9	41.2 Å²	41.2	4%	0.035	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	137.1	-178.6	-63.1	-61.6	0	0	0	112.1	Y84 L87 R95 C140 I141 T212	Y84-Y214 HydrophobicContact CD1-CE2 4.06Å; Y84-Y214 PolarHBondContact O-OH 3.12Å; L87-Y214 HydrophobicContact CD1-CD1 3.51Å; L87-Y214 HydrophobicContact CD1-CE1 3.12Å; L87-Y214 HydrophobicContact CD2-CD1 4.26Å; L87-Y214 HydrophobicContact CG-CD1 4.03Å; L87-Y214 HydrophobicContact CG-CE1 3.78Å; R95-Y214 PolarHBondContact NH2-OH 3.17Å; C140-Y214 WeakPolarHBondContact CA-O 3.47Å; I141-Y214 HydrophobicContact CD1-CG 4.44Å; I141-Y214 PolarHBondContact N-O 3.16Å; T212-Y214 HydrophobicContact CG2-CD1 3.94Å; T212-Y214 HydrophobicContact CG2-CD2 4.35Å; T212-Y214 HydrophobicContact CG2-CE1 3.28Å; T212-Y214 HydrophobicContact CG2-CE2 3.83Å; T212-Y214 HydrophobicContact CG2-CG 4.41Å; T212-Y214 WeakPolarHBondContact CG2-OH 3.34Å
215	L	87.2	Confident	88.5	Confident	6 Å²	6	34 Å²	34	3%	0.031	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	146.1	-177.5	-50.9	173	0	0	0	110.3	R92 F136 I139 A226 W229 E230	R92-L215 HydrophobicContact CB-CB 3.9Å; R92-L215 HydrophobicContact CB-CD1 4.2Å; R92-L215 WeakPolarHBondContact O-CB 3.35Å; R92-L215 PolarHBondContact O-N 3.05Å; F136-L215 HydrophobicContact CD2-CD2 4Å; F136-L215 HydrophobicContact CE2-CD2 3.95Å; I139-L215 HydrophobicContact CD1-CD2 3.95Å; I139-L215 HydrophobicContact CG1-CD2 4.07Å; I139-L215 CarbonylContact O-C 3.59Å; I139-L215 VanDerWaalsContact O-CA 3.32Å; I139-L215 WeakPolarHBondContact O-CA 3.43Å; L215-A226 HydrophobicContact CB-CB 4.16Å; L215-A226 HydrophobicContact CD1-CB 3.98Å; L215-W229 HydrophobicContact CD1-CD2 4.22Å; L215-W229 HydrophobicContact CD1-CE3 3.48Å; L215-W229 VanDerWaalsContact CD1-CE3 3.48Å; L215-W229 HydrophobicContact CD1-CZ3 3.95Å; L215-W229 HydrophobicContact CD2-CD2 4.07Å; L215-W229 HydrophobicContact CD2-CE3 3.87Å; L215-W229 HydrophobicContact CD2-CH2 4.39Å; L215-W229 HydrophobicContact CD2-CZ3 4.03Å; L215-W229 HydrophobicContact CG-CE3 4.21Å; L215-W229 HydrophobicContact CG-CZ3 4.35Å; L215-E230 HydrophobicContact CD1-CG 3.9Å
216	Q	82.2	Confident	88.4	Confident	41 Å²	41	32.7 Å²	32.7	19%	0.192	18%	0.179	C	C	.	.			trans	-90.2	129.4	177.5	-179	170	63.6	0	0	110.6	I139 I218	I139-Q216 PolarHBondContact O-N 2.85Å; Q216-I218 HydrophobicContact CG-CD1 3.74Å; Q216-I218 HydrophobicContact CG-CG1 3.59Å
217	S	76.6	Confident	88.2	Confident	49 Å²	49	35.6 Å²	35.6	34%	0.343	19%	0.193	S	C	.	.			trans	-125	78	172.4	-179.7	0	0	0	0	109.8	D223	S217-D223 WeakPolarHBondContact CB-OD1 3.43Å; S217-D223 VanDerWaalsContact OG-CB 3.25Å; S217-D223 WeakPolarHBondContact OG-CB 3.4Å; S217-D223 VanDerWaalsContact OG-CG 3.27Å; S217-D223 PolarHBondContact OG-OD1 3.36Å
218	I	75.4	Confident	88.2	Confident	102 Å²	102	40 Å²	40	52%	0.523	21%	0.208	S	C	.	.	S	Bend	trans	-85.7	-47.6	177.7	-64.7	162.7	0	0	0	111.2	Q216	Q216-I218 HydrophobicContact CG-CD1 3.74Å; Q216-I218 HydrophobicContact CG-CG1 3.59Å
219	N	83.4	Confident	88.2	Confident	77 Å²	77	40 Å²	40	41%	0.412	21%	0.208	S	C	.	.	S	Bend	trans	-124.5	166.3	-175	63.7	18.3	0	0	0	109.8	L221 N222 D223	N219-L221 PolarHBondContact O-N 2.73Å; N219-L221 PolarHBondContact OD1-N 3.48Å; N219-N222 PolarHBondContact O-N 3.34Å; N219-N222 VanDerWaalsContact OD1-CB 3.25Å; N219-N222 WeakPolarHBondContact OD1-CB 3.45Å; N219-N222 PolarHBondContact OD1-N 3.2Å; N219-N222 PolarHBondContact OD1-OD1 2.86Å; N219-D223 PolarHBondContact O-N 2.63Å
220	S	86.2	Confident	88.1	Confident	100 Å²	100	40.1 Å²	40.1	70%	0.699	21%	0.208	S	C	*	.	H	α-helix	trans	-58.5	-30.7	-178.9	55.7	0	0	0	0	113.4	M224	S220-M224 VanDerWaalsContact O-CB 3.31Å; S220-M224 WeakPolarHBondContact O-CB 3.31Å; S220-M224 PolarHBondContact O-N 3.2Å; S220-M224 VanDerWaalsContact O-N 3.1Å
221	L	87.3	Confident	88.2	Confident	72 Å²	72	41.1 Å²	41.1	38%	0.377	22%	0.216	S	C	.	.	H	α-helix	trans	-67.1	-51.5	176.5	179.6	63.2	0	0	0	111.7	N219 D223 M224 V225	N219-L221 PolarHBondContact O-N 2.73Å; N219-L221 PolarHBondContact OD1-N 3.48Å; L221-D223 VanDerWaalsContact C-N 3.29Å; L221-D223 PolarHBondContact O-N 3.43Å; L221-M224 PolarHBondContact O-N 3.42Å; L221-V225 HydrophobicContact CD1-CG2 4.4Å; L221-V225 WeakPolarHBondContact O-CG2 3.2Å; L221-V225 PolarHBondContact O-N 3.43Å
222	N	84.7	Confident	88.4	Confident	25 Å²	25	42.1 Å²	42.1	13%	0.134	22%	0.223	C	C	.	.	H	α-helix	trans	-62.8	-39.4	178.9	-73.4	7.5	0	0	0	110.7	N219 M224 V225 A226	N219-N222 PolarHBondContact O-N 3.34Å; N219-N222 VanDerWaalsContact OD1-CB 3.25Å; N219-N222 WeakPolarHBondContact OD1-CB 3.45Å; N219-N222 PolarHBondContact OD1-N 3.2Å; N219-N222 PolarHBondContact OD1-OD1 2.86Å; N222-M224 PolarHBondContact O-N 3.2Å; N222-V225 PolarHBondContact O-N 3.4Å; N222-A226 WeakPolarHBondContact O-CB 3.49Å; N222-A226 PolarHBondContact O-N 3.17Å
223	D	87.9	Confident	88.8	Confident	49 Å²	49	42 Å²	42	26%	0.262	22%	0.222	S	C	.	.	H	α-helix	trans	-59.3	-47.8	176.3	-165.1	65.9	0	0	0	111.7	R92 S217 N219 L221 V225 A226 E227	R92-D223 IonicContact CZ-OD1 3.11Å; R92-D223 IonicContact CZ-OD2 3.33Å; R92-D223 VanDerWaalsContact NE-CG 3.34Å; R92-D223 PolarHBondContact NE-O 3.19Å; R92-D223 IonicContact NE-OD1 2.72Å; R92-D223 PolarHBondContact NE-OD1 3.44Å; R92-D223 IonicContact NE-OD2 3.38Å; R92-D223 IonicContact NH2-OD1 2.63Å; R92-D223 IonicContact NH2-OD2 2.97Å; R92-D223 PolarHBondContact NH2-OD2 2.94Å; S217-D223 WeakPolarHBondContact CB-OD1 3.43Å; S217-D223 VanDerWaalsContact OG-CB 3.25Å; S217-D223 WeakPolarHBondContact OG-CB 3.4Å; S217-D223 VanDerWaalsContact OG-CG 3.27Å; S217-D223 PolarHBondContact OG-OD1 3.36Å; N219-D223 PolarHBondContact O-N 2.63Å; L221-D223 VanDerWaalsContact C-N 3.29Å; L221-D223 PolarHBondContact O-N 3.43Å; D223-V225 PolarHBondContact O-N 3.49Å; D223-A226 PolarHBondContact O-N 3.12Å; D223-E227 PolarHBondContact O-N 2.7Å
224	M	89.5	Confident	89.1	Confident	90 Å²	90	42.3 Å²	42.3	44%	0.443	23%	0.225	S	C	.	.	H	α-helix	trans	-65.6	-38.4	178.9	-171.3	-172.8	-59.8	0	0	112.7	R129 S220 L221 N222 R228	R129-M224 PolarHBondContact NH2-SD 3.11Å; S220-M224 VanDerWaalsContact O-CB 3.31Å; S220-M224 WeakPolarHBondContact O-CB 3.31Å; S220-M224 PolarHBondContact O-N 3.2Å; S220-M224 VanDerWaalsContact O-N 3.1Å; L221-M224 PolarHBondContact O-N 3.42Å; N222-M224 PolarHBondContact O-N 3.2Å; M224-R228 PolarHBondContact O-N 2.95Å
225	V	92.6	Very high	89.6	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-68.6	-41.6	174.7	174	0	0	0	0	110.6	V127 R129 Y134 I139 L221 N222 D223 R228 W229	V127-V225 HydrophobicContact CB-CG1 4.34Å; V127-V225 HydrophobicContact CG1-CG1 4.16Å; R129-V225 HydrophobicContact CG-CG2 4.42Å; Y134-V225 HydrophobicContact CD1-CG1 4.05Å; Y134-V225 HydrophobicContact CD2-CG1 3.96Å; Y134-V225 HydrophobicContact CD2-CG2 3.88Å; Y134-V225 HydrophobicContact CE2-CG2 3.91Å; Y134-V225 HydrophobicContact CG-CG1 3.6Å; Y134-V225 HydrophobicContact CG-CG2 4.23Å; I139-V225 HydrophobicContact CD1-CG1 4.38Å; I139-V225 HydrophobicContact CG2-CB 4.48Å; I139-V225 HydrophobicContact CG2-CG1 3.81Å; L221-V225 HydrophobicContact CD1-CG2 4.4Å; L221-V225 WeakPolarHBondContact O-CG2 3.2Å; L221-V225 PolarHBondContact O-N 3.43Å; N222-V225 PolarHBondContact O-N 3.4Å; D223-V225 PolarHBondContact O-N 3.49Å; V225-R228 PolarHBondContact O-N 3.5Å; V225-W229 WeakPolarHBondContact O-CB 3.47Å; V225-W229 PolarHBondContact O-N 3.11Å
226	A	91.4	Very high	90.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.8	-40.5	178.3	0	0	0	0	0	111.7	R92 L215 N222 D223 R228 W229 E230	R92-A226 HydrophobicContact CB-CB 4.33Å; R92-A226 VanDerWaalsContact CD-CB 3.45Å; L215-A226 HydrophobicContact CB-CB 4.16Å; L215-A226 HydrophobicContact CD1-CB 3.98Å; N222-A226 WeakPolarHBondContact O-CB 3.49Å; N222-A226 PolarHBondContact O-N 3.17Å; D223-A226 PolarHBondContact O-N 3.12Å; A226-R228 VanDerWaalsContact C-N 3.32Å; A226-R228 PolarHBondContact O-N 2.9Å; A226-W229 WeakPolarHBondContact O-CB 3.49Å; A226-W229 PolarHBondContact O-N 3.28Å; A226-E230 WeakPolarHBondContact O-CG 3.34Å; A226-E230 PolarHBondContact O-N 2.93Å
227	E	91.9	Very high	90.8	Very high	60 Å²	60	45.2 Å²	45.2	28%	0.28	24%	0.244	S	C	.	.	H	α-helix	trans	-57.3	-46.3	171.7	-168.6	162.5	169.1	0	0	112	R92 D223 W229 E230 S231 R258	R92-E227 IonicContact CZ-OE2 3.88Å; R92-E227 VanDerWaalsContact NH1-CA 3.32Å; R92-E227 VanDerWaalsContact NH1-CB 3.27Å; R92-E227 IonicContact NH1-OE2 2.72Å; R92-E227 IonicContact NH2-OE2 3.25Å; R92-E227 PolarHBondContact NH2-OE2 2.84Å; D223-E227 PolarHBondContact O-N 2.7Å; E227-W229 VanDerWaalsContact C-N 3.29Å; E227-W229 PolarHBondContact O-N 3.35Å; E227-E230 WeakPolarHBondContact O-CB 3.48Å; E227-E230 PolarHBondContact O-N 2.86Å; E227-S231 PolarHBondContact O-N 3.38Å; E227-S231 VanDerWaalsContact O-N 3.17Å; E227-S231 PolarHBondContact O-OG 3.45Å; E227-R258 IonicContact OE1-CZ 3.3Å; E227-R258 IonicContact OE1-NH1 2.76Å; E227-R258 IonicContact OE1-NH2 2.77Å; E227-R258 PolarHBondContact OE1-NH2 2.77Å; E227-R258 IonicContact OE2-NH2 3.46Å
228	R	93.6	Very high	91.6	Very high	143 Å²	143	48.5 Å²	48.5	54%	0.54	25%	0.249	S	C	.	.	H	α-helix	trans	-67.8	-33.6	178.7	-173.2	59	178.2	156.8	3.3	112.1	V127 M224 V225 A226 S232	V127-R228 HydrophobicContact CG1-CB 3.83Å; V127-R228 HydrophobicContact CG1-CG 3.57Å; V127-R228 HydrophobicContact CG2-CG 4.46Å; M224-R228 PolarHBondContact O-N 2.95Å; V225-R228 PolarHBondContact O-N 3.5Å; A226-R228 VanDerWaalsContact C-N 3.32Å; A226-R228 PolarHBondContact O-N 2.9Å; R228-S232 WeakPolarHBondContact O-CB 3.36Å; R228-S232 PolarHBondContact O-N 2.92Å; R228-S232 VanDerWaalsContact O-N 3.11Å; R228-S232 PolarHBondContact O-OG 3Å
229	W	95.9	Very high	92.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-65.2	-41.4	172.5	-172.5	96.4	0	0	0	111.1	V122 I125 V127 F136 I139 Y213 L215 V225 A226 E227 S231 S232 F233	V122-W229 HydrophobicContact CG1-CH2 3.86Å; V122-W229 HydrophobicContact CG1-CZ2 3.67Å; I125-W229 HydrophobicContact CD1-CZ2 4.28Å; I125-W229 HydrophobicContact CG2-CG 4.44Å; V127-W229 HydrophobicContact CG2-CB 3.86Å; V127-W229 HydrophobicContact CG2-CG 4.39Å; F136-W229 HydrophobicContact CB-CZ2 4.41Å; F136-W229 HydrophobicContact CD2-CH2 4.27Å; F136-W229 AromaticContact CD2-CZ2 3.64Å; F136-W229 HydrophobicContact CD2-CZ2 3.64Å; F136-W229 HydrophobicContact CE2-CZ2 4.36Å; F136-W229 HydrophobicContact CG-CZ2 4.34Å; I139-W229 HydrophobicContact CD1-CB 3.58Å; I139-W229 HydrophobicContact CD1-CD2 4.3Å; I139-W229 HydrophobicContact CD1-CG 3.57Å; Y213-W229 HydrophobicContact CG-CH2 4.11Å; L215-W229 HydrophobicContact CD1-CD2 4.22Å; L215-W229 HydrophobicContact CD1-CE3 3.48Å; L215-W229 VanDerWaalsContact CD1-CE3 3.48Å; L215-W229 HydrophobicContact CD1-CZ3 3.95Å; L215-W229 HydrophobicContact CD2-CD2 4.07Å; L215-W229 HydrophobicContact CD2-CE3 3.87Å; L215-W229 HydrophobicContact CD2-CH2 4.39Å; L215-W229 HydrophobicContact CD2-CZ3 4.03Å; L215-W229 HydrophobicContact CG-CE3 4.21Å; L215-W229 HydrophobicContact CG-CZ3 4.35Å; V225-W229 WeakPolarHBondContact O-CB 3.47Å; V225-W229 PolarHBondContact O-N 3.11Å; A226-W229 WeakPolarHBondContact O-CB 3.49Å; A226-W229 PolarHBondContact O-N 3.28Å; E227-W229 VanDerWaalsContact C-N 3.29Å; E227-W229 PolarHBondContact O-N 3.35Å; W229-S231 PolarHBondContact O-N 3.08Å; W229-S232 CarbonylContact O-C 3.17Å; W229-S232 PolarHBondContact O-N 2.84Å; W229-S232 VanDerWaalsContact O-N 3.14Å; W229-F233 HydrophobicContact CD2-CB 4.45Å; W229-F233 HydrophobicContact CE3-CB 3.89Å; W229-F233 HydrophobicContact CH2-CB 4.03Å; W229-F233 AromaticContact CH2-CD2 3.63Å; W229-F233 HydrophobicContact CH2-CD2 3.63Å; W229-F233 HydrophobicContact CH2-CE2 4.37Å; W229-F233 AromaticContact CH2-CG 4Å; W229-F233 HydrophobicContact CH2-CG 4Å; W229-F233 HydrophobicContact CZ2-CD2 4.35Å; W229-F233 HydrophobicContact CZ3-CB 3.67Å; W229-F233 AromaticContact CZ3-CD2 3.96Å; W229-F233 HydrophobicContact CZ3-CD2 3.96Å; W229-F233 AromaticContact CZ3-CG 3.83Å; W229-F233 HydrophobicContact CZ3-CG 3.83Å; W229-F233 VanDerWaalsContact O-CB 3.31Å; W229-F233 WeakPolarHBondContact O-CB 3.45Å; W229-F233 PolarHBondContact O-N 2.78Å
230	E	95	Very high	93.2	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-59.2	-44.7	176.8	-75.4	179.8	160.9	0	0	112	R92 Y93 L215 A226 E227 S232 F233 C234 T253 S254 S255	R92-E230 IonicContact NH1-OE2 2.89Å; R92-E230 PolarHBondContact NH1-OE2 2.72Å; Y93-E230 PolarHBondContact N-OE1 3.06Å; L215-E230 HydrophobicContact CD1-CG 3.9Å; A226-E230 WeakPolarHBondContact O-CG 3.34Å; A226-E230 PolarHBondContact O-N 2.93Å; E227-E230 WeakPolarHBondContact O-CB 3.48Å; E227-E230 PolarHBondContact O-N 2.86Å; E230-S232 VanDerWaalsContact C-N 3.35Å; E230-S232 PolarHBondContact O-N 3.26Å; E230-F233 WeakPolarHBondContact O-CB 3.34Å; E230-F233 PolarHBondContact O-N 3.33Å; E230-C234 PolarHBondContact O-N 2.81Å; E230-C234 VanDerWaalsContact O-N 3.11Å; E230-C234 PolarHBondContact O-SG 2.86Å; E230-T253 HydrophobicContact CB-CG2 3.88Å; E230-T253 HydrophobicContact CG-CG2 4.12Å; E230-S254 VanDerWaalsContact CD-OG 3.27Å; E230-S254 WeakPolarHBondContact OE1-CB 3.26Å; E230-S254 PolarHBondContact OE1-N 2.82Å; E230-S254 PolarHBondContact OE1-OG 3.42Å; E230-S254 PolarHBondContact OE2-OG 3.11Å; E230-S255 WeakPolarHBondContact OE2-CB 3.49Å; E230-S255 PolarHBondContact OE2-N 3.32Å; E230-S255 PolarHBondContact OE2-OG 3.07Å
231	S	94.6	Very high	93.6	Very high	33 Å²	33	44.7 Å²	44.7	23%	0.231	22%	0.217	C	C	.	.	H	α-helix	trans	-61.4	-45.6	173.7	-47.6	0	0	0	0	111.3	E227 W229 F233 C234 D235	E227-S231 PolarHBondContact O-N 3.38Å; E227-S231 VanDerWaalsContact O-N 3.17Å; E227-S231 PolarHBondContact O-OG 3.45Å; W229-S231 PolarHBondContact O-N 3.08Å; S231-F233 VanDerWaalsContact C-N 3.29Å; S231-F233 PolarHBondContact O-N 2.86Å; S231-C234 PolarHBondContact O-N 3.49Å; S231-D235 PolarHBondContact O-N 3.47Å; S231-D235 VanDerWaalsContact O-N 3.07Å
232	S	96.2	Very high	93.9	Very high	21 Å²	21	49.3 Å²	49.3	15%	0.147	23%	0.234	C	C	.	.	H	α-helix	trans	-65.7	-32.1	-179.9	-55.3	0	0	0	0	112.3	R228 W229 E230 T236	R228-S232 WeakPolarHBondContact O-CB 3.36Å; R228-S232 PolarHBondContact O-N 2.92Å; R228-S232 VanDerWaalsContact O-N 3.11Å; R228-S232 PolarHBondContact O-OG 3Å; W229-S232 CarbonylContact O-C 3.17Å; W229-S232 PolarHBondContact O-N 2.84Å; W229-S232 VanDerWaalsContact O-N 3.14Å; E230-S232 VanDerWaalsContact C-N 3.35Å; E230-S232 PolarHBondContact O-N 3.26Å; S232-T236 VanDerWaalsContact O-CB 3.27Å; S232-T236 WeakPolarHBondContact O-CB 3.42Å; S232-T236 PolarHBondContact O-N 3.38Å; S232-T236 PolarHBondContact O-OG1 3.45Å
233	F	97.3	Very high	94.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64	-50.5	173.7	167.5	-97.3	0	0	0	111	R95 V96 V122 I125 Y213 W229 E230 S231 D235 T236 V237 P251 T253	R95-F233 WeakPolarHBondContact O-CE1 3.36Å; R95-F233 WeakPolarHBondContact O-CZ 3.23Å; V96-F233 HydrophobicContact CB-CZ 4.07Å; V96-F233 HydrophobicContact CG1-CZ 4.23Å; V122-F233 HydrophobicContact CG1-CD2 3.72Å; V122-F233 HydrophobicContact CG1-CE2 3.91Å; V122-F233 HydrophobicContact CG2-CD2 3.98Å; V122-F233 HydrophobicContact CG2-CE2 3.9Å; I125-F233 HydrophobicContact CD1-CB 4.13Å; I125-F233 HydrophobicContact CD1-CD2 4.49Å; Y213-F233 AromaticContact CD2-CE2 3.69Å; Y213-F233 HydrophobicContact CD2-CE2 3.69Å; Y213-F233 HydrophobicContact CD2-CZ 4.21Å; Y213-F233 AromaticContact CE2-CE2 3.89Å; Y213-F233 HydrophobicContact CE2-CE2 3.89Å; Y213-F233 HydrophobicContact CE2-CZ 4.5Å; W229-F233 HydrophobicContact CD2-CB 4.45Å; W229-F233 HydrophobicContact CE3-CB 3.89Å; W229-F233 HydrophobicContact CH2-CB 4.03Å; W229-F233 AromaticContact CH2-CD2 3.63Å; W229-F233 HydrophobicContact CH2-CD2 3.63Å; W229-F233 HydrophobicContact CH2-CE2 4.37Å; W229-F233 AromaticContact CH2-CG 4Å; W229-F233 HydrophobicContact CH2-CG 4Å; W229-F233 HydrophobicContact CZ2-CD2 4.35Å; W229-F233 HydrophobicContact CZ3-CB 3.67Å; W229-F233 AromaticContact CZ3-CD2 3.96Å; W229-F233 HydrophobicContact CZ3-CD2 3.96Å; W229-F233 AromaticContact CZ3-CG 3.83Å; W229-F233 HydrophobicContact CZ3-CG 3.83Å; W229-F233 VanDerWaalsContact O-CB 3.31Å; W229-F233 WeakPolarHBondContact O-CB 3.45Å; W229-F233 PolarHBondContact O-N 2.78Å; E230-F233 WeakPolarHBondContact O-CB 3.34Å; E230-F233 PolarHBondContact O-N 3.33Å; S231-F233 VanDerWaalsContact C-N 3.29Å; S231-F233 PolarHBondContact O-N 2.86Å; F233-D235 VanDerWaalsContact C-N 3.31Å; F233-D235 PolarHBondContact O-N 3.04Å; F233-T236 PolarHBondContact O-N 2.73Å; F233-V237 HydrophobicContact CD2-CG2 4.23Å; F233-V237 HydrophobicContact CE1-CG2 4.31Å; F233-V237 HydrophobicContact CE2-CG2 3.88Å; F233-V237 HydrophobicContact CZ-CG2 3.92Å; F233-V237 VanDerWaalsContact O-CG2 3.31Å; F233-V237 WeakPolarHBondContact O-CG2 3.36Å; F233-V237 PolarHBondContact O-N 3.42Å; F233-P251 HydrophobicContact CE1-CB 4.29Å; F233-T253 HydrophobicContact CD1-CG2 3.76Å; F233-T253 HydrophobicContact CE1-CG2 4.26Å
234	C	96.3	Very high	94.6	Very high	10 Å²	10	52.9 Å²	52.9	7%	0.068	26%	0.261	C	S	.	.	H	α-helix	trans	-57.2	-45	175.7	-69.5	0	0	0	0	111.7	E230 S231 V237 R238 T253 Q537	E230-C234 PolarHBondContact O-N 2.81Å; E230-C234 VanDerWaalsContact O-N 3.11Å; E230-C234 PolarHBondContact O-SG 2.86Å; S231-C234 PolarHBondContact O-N 3.49Å; C234-V237 PolarHBondContact O-N 2.88Å; C234-R238 WeakPolarHBondContact O-CB 3.35Å; C234-R238 VanDerWaalsContact O-CG 3.23Å; C234-R238 WeakPolarHBondContact O-CG 3.37Å; C234-R238 PolarHBondContact O-N 3.28Å; C234-T253 VanDerWaalsContact SG-CG2 3.52Å; C234-Q537 PolarHBondContact SG-NE2 2.76Å
235	D	96	Very high	94.2	Very high	79 Å²	79	53.4 Å²	53.4	42%	0.422	27%	0.274	S	S	.	.	H	α-helix	trans	-65.1	-43.2	178.9	-69.3	-24.1	0	0	0	111.9	S231 F233 R238 L239	S231-D235 PolarHBondContact O-N 3.47Å; S231-D235 VanDerWaalsContact O-N 3.07Å; F233-D235 VanDerWaalsContact C-N 3.31Å; F233-D235 PolarHBondContact O-N 3.04Å; D235-R238 PolarHBondContact O-N 3.35Å; D235-R238 IonicContact OD1-NH1 2.75Å; D235-L239 WeakPolarHBondContact O-CB 3.31Å; D235-L239 VanDerWaalsContact O-CG 3.27Å; D235-L239 WeakPolarHBondContact O-CG 3.36Å; D235-L239 PolarHBondContact O-N 3.31Å
236	T	97.1	Very high	94	Very high	37 Å²	37	60.2 Å²	60.2	23%	0.227	30%	0.304	C	S	.	.	H	α-helix	trans	-61.5	-46.2	177.2	-60.5	0	0	0	0	111.3	A121 I125 S232 F233 L239 F240	A121-T236 HydrophobicContact CB-CG2 4.34Å; I125-T236 HydrophobicContact CD1-CG2 4.21Å; I125-T236 HydrophobicContact CG1-CG2 4.25Å; S232-T236 VanDerWaalsContact O-CB 3.27Å; S232-T236 WeakPolarHBondContact O-CB 3.42Å; S232-T236 PolarHBondContact O-N 3.38Å; S232-T236 PolarHBondContact O-OG1 3.45Å; F233-T236 PolarHBondContact O-N 2.73Å; T236-L239 PolarHBondContact O-N 3.35Å; T236-F240 VanDerWaalsContact O-CB 3.27Å; T236-F240 WeakPolarHBondContact O-CB 3.23Å; T236-F240 PolarHBondContact O-N 2.9Å
237	V	97	Very high	94	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-62.9	-43.4	177.7	172.9	0	0	0	0	111	V96 L118 F233 C234 F240 Q241 M249 P251	V96-V237 HydrophobicContact CG2-CG1 3.79Å; V96-V237 HydrophobicContact CG2-CG2 4.5Å; L118-V237 HydrophobicContact CD1-CG2 4.38Å; F233-V237 HydrophobicContact CD2-CG2 4.23Å; F233-V237 HydrophobicContact CE1-CG2 4.31Å; F233-V237 HydrophobicContact CE2-CG2 3.88Å; F233-V237 HydrophobicContact CZ-CG2 3.92Å; F233-V237 VanDerWaalsContact O-CG2 3.31Å; F233-V237 WeakPolarHBondContact O-CG2 3.36Å; F233-V237 PolarHBondContact O-N 3.42Å; C234-V237 PolarHBondContact O-N 2.88Å; V237-F240 PolarHBondContact O-N 3.04Å; V237-Q241 PolarHBondContact O-N 3.05Å; V237-M249 HydrophobicContact CG1-CB 3.74Å; V237-M249 HydrophobicContact CG1-SD 4.02Å; V237-P251 HydrophobicContact CB-CB 4.16Å; V237-P251 HydrophobicContact CB-CG 4.48Å; V237-P251 HydrophobicContact CG1-CB 3.96Å; V237-P251 HydrophobicContact CG1-CG 4.08Å
238	R	94.8	Very high	94.2	Very high	119 Å²	119	60.5 Å²	60.5	45%	0.449	30%	0.304	S	S	.	.	H	α-helix	trans	-64	-43.6	177.9	-73.5	170.5	-175.8	165.6	2.2	112.3	C234 D235 F240 Q241 K242	C234-R238 WeakPolarHBondContact O-CB 3.35Å; C234-R238 VanDerWaalsContact O-CG 3.23Å; C234-R238 WeakPolarHBondContact O-CG 3.37Å; C234-R238 PolarHBondContact O-N 3.28Å; D235-R238 PolarHBondContact O-N 3.35Å; D235-R238 IonicContact OD1-NH1 2.75Å; R238-F240 VanDerWaalsContact C-N 3.34Å; R238-Q241 PolarHBondContact O-N 3.3Å; R238-K242 WeakPolarHBondContact O-CG 3.44Å; R238-K242 PolarHBondContact O-N 3.2Å
239	L	95.4	Very high	94.3	Very high	106 Å²	106	53.9 Å²	53.9	56%	0.555	28%	0.279	S	S	*	.	H	α-helix	trans	-62.9	-43.4	175.1	-72.4	169.6	0	0	0	110.9	D235 T236 Q241 K242 S243	D235-L239 WeakPolarHBondContact O-CB 3.31Å; D235-L239 VanDerWaalsContact O-CG 3.27Å; D235-L239 WeakPolarHBondContact O-CG 3.36Å; D235-L239 PolarHBondContact O-N 3.31Å; T236-L239 PolarHBondContact O-N 3.35Å; L239-Q241 PolarHBondContact O-N 3.48Å; L239-K242 WeakPolarHBondContact O-CB 3.24Å; L239-K242 PolarHBondContact O-N 3.11Å; L239-S243 PolarHBondContact O-N 3.19Å; L239-S243 VanDerWaalsContact O-N 3.11Å; L239-S243 PolarHBondContact O-OG 3.38Å
240	F	96	Very high	94.3	Very high	33 Å²	33	55 Å²	55	15%	0.145	28%	0.284	C	S	.	.	H	α-helix	trans	-62.7	-40.8	177.8	-163.2	-80.6	0	0	0	112	L114 K117 L118 A121 T236 V237 R238 S243 N244 M249	L114-F240 HydrophobicContact CD2-CE1 3.85Å; L114-F240 HydrophobicContact CG-CE1 3.99Å; L114-F240 HydrophobicContact CG-CZ 4.47Å; K117-F240 HydrophobicContact CB-CE2 4.26Å; K117-F240 HydrophobicContact CB-CZ 3.93Å; L118-F240 HydrophobicContact CB-CD1 4.28Å; L118-F240 HydrophobicContact CB-CE1 3.9Å; L118-F240 HydrophobicContact CB-CE2 4.31Å; L118-F240 HydrophobicContact CB-CZ 3.92Å; L118-F240 HydrophobicContact CD1-CB 3.97Å; L118-F240 HydrophobicContact CD1-CD1 3.84Å; L118-F240 HydrophobicContact CD1-CD2 4.11Å; L118-F240 HydrophobicContact CD1-CE1 4.33Å; L118-F240 HydrophobicContact CD1-CG 3.7Å; A121-F240 HydrophobicContact CB-CD2 4.29Å; A121-F240 HydrophobicContact CB-CE2 4.45Å; T236-F240 VanDerWaalsContact O-CB 3.27Å; T236-F240 WeakPolarHBondContact O-CB 3.23Å; T236-F240 PolarHBondContact O-N 2.9Å; V237-F240 PolarHBondContact O-N 3.04Å; R238-F240 VanDerWaalsContact C-N 3.34Å; F240-S243 PolarHBondContact O-N 3.23Å; F240-N244 WeakPolarHBondContact CD1-ND2 3.27Å; F240-N244 WeakPolarHBondContact CE1-ND2 3.42Å; F240-N244 PolarHBondContact O-N 2.83Å; F240-N244 PolarHBondContact O-ND2 2.67Å; F240-M249 HydrophobicContact CD1-CE 3.45Å; F240-M249 VanDerWaalsContact CD1-CE 3.45Å; F240-M249 HydrophobicContact CD1-SD 4.06Å; F240-M249 HydrophobicContact CE1-CE 3.78Å
241	Q	94.4	Very high	94.3	Very high	59 Å²	59	55.3 Å²	55.3	28%	0.276	29%	0.286	S	S	.	.	H	α-helix	trans	-61.8	-44.5	173	-180	-179.7	-59.6	0	0	111.7	V237 R238 L239 S243 N244 M249	V237-Q241 PolarHBondContact O-N 3.05Å; R238-Q241 PolarHBondContact O-N 3.3Å; L239-Q241 PolarHBondContact O-N 3.48Å; Q241-S243 PolarHBondContact O-N 2.97Å; Q241-N244 CarbonylContact O-C 3.58Å; Q241-N244 PolarHBondContact O-N 2.95Å; Q241-M249 HydrophobicContact CB-CB 4.38Å; Q241-M249 HydrophobicContact CB-CG 4.31Å; Q241-M249 HydrophobicContact CB-SD 4.31Å; Q241-M249 PolarHBondContact OE1-O 2.94Å
242	K	94.1	Very high	94.3	Very high	169 Å²	169	55.1 Å²	55.1	74%	0.735	28%	0.28	S	S	*	.	H	α-helix	trans	-58.2	-38	178	-74.4	176.9	-179.6	-178.7	0	112.1	R238 L239 N244	R238-K242 WeakPolarHBondContact O-CG 3.44Å; R238-K242 PolarHBondContact O-N 3.2Å; L239-K242 WeakPolarHBondContact O-CB 3.24Å; L239-K242 PolarHBondContact O-N 3.11Å; K242-N244 VanDerWaalsContact C-N 3.29Å; K242-N244 PolarHBondContact O-N 3.01Å
243	S	94.2	Very high	94.1	Very high	101 Å²	101	54.2 Å²	54.2	71%	0.706	27%	0.274	S	S	*	.	H	α-helix	trans	-74	-16.2	175.4	-59.6	0	0	0	0	114	L239 F240 Q241	L239-S243 PolarHBondContact O-N 3.19Å; L239-S243 VanDerWaalsContact O-N 3.11Å; L239-S243 PolarHBondContact O-OG 3.38Å; F240-S243 PolarHBondContact O-N 3.23Å; Q241-S243 PolarHBondContact O-N 2.97Å
244	N	92.3	Very high	93.7	Very high	48 Å²	48	55.8 Å²	55.8	26%	0.257	29%	0.285	S	S	.	.			trans	-128.1	75.6	-175.3	-64.7	-85.9	0	0	0	111	L114 F240 Q241 K242 K246 V247	L114-N244 HydrophobicContact CD1-CB 3.92Å; L114-N244 WeakPolarHBondContact CD1-OD1 3.45Å; F240-N244 WeakPolarHBondContact CD1-ND2 3.27Å; F240-N244 WeakPolarHBondContact CE1-ND2 3.42Å; F240-N244 PolarHBondContact O-N 2.83Å; F240-N244 PolarHBondContact O-ND2 2.67Å; Q241-N244 CarbonylContact O-C 3.58Å; Q241-N244 PolarHBondContact O-N 2.95Å; K242-N244 VanDerWaalsContact C-N 3.29Å; K242-N244 PolarHBondContact O-N 3.01Å; N244-K246 PolarHBondContact O-N 3.38Å; N244-V247 HydrophobicContact CB-CG2 3.84Å; N244-V247 VanDerWaalsContact O-CG2 3.27Å; N244-V247 WeakPolarHBondContact O-CG2 3.31Å; N244-V247 PolarHBondContact O-N 3.31Å
245	S	83.2	Confident	93.4	Very high	102 Å²	102	55.5 Å²	55.5	71%	0.713	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-11.3	-171.9	59	0	0	0	0	116.4	F101	F101-S245 WeakPolarHBondContact CD2-O 3.48Å; F101-S245 VanDerWaalsContact CE2-O 3.26Å; F101-S245 WeakPolarHBondContact CE2-O 3.4Å
246	K	86.5	Confident	93.1	Very high	143 Å²	143	51.9 Å²	51.9	62%	0.622	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-15	179.1	-65.1	-175.7	-178.7	-179.3	0	114	F101 N244	F101-K246 WeakPolarHBondContact CD2-O 3.27Å; F101-K246 PolarHBondContact N-O 3.26Å; N244-K246 PolarHBondContact O-N 3.38Å
247	V	93	Very high	92.8	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	150.2	-178.4	-65.5	0	0	0	0	110.9	T99 F101 L114 N244 M249	T99-V247 CarbonylContact O-C 3.48Å; T99-V247 VanDerWaalsContact O-CA 3.32Å; T99-V247 WeakPolarHBondContact O-CA 3.28Å; T99-V247 WeakPolarHBondContact O-CB 3.49Å; F101-V247 VanDerWaalsContact CE2-O 3.28Å; F101-V247 WeakPolarHBondContact CE2-O 3.32Å; L114-V247 HydrophobicContact CD1-CG1 4.12Å; L114-V247 HydrophobicContact CD1-CG2 4.06Å; L114-V247 HydrophobicContact CD2-CG1 4.27Å; L114-V247 HydrophobicContact CD2-CG2 4.01Å; N244-V247 HydrophobicContact CB-CG2 3.84Å; N244-V247 VanDerWaalsContact O-CG2 3.27Å; N244-V247 WeakPolarHBondContact O-CG2 3.31Å; N244-V247 PolarHBondContact O-N 3.31Å; V247-M249 HydrophobicContact CG2-CE 3.65Å
248	K	94.8	Very high	92.4	Very high	65 Å²	65	52.6 Å²	52.6	28%	0.283	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	135.5	171.6	-168.2	166.3	175.6	-158.5	0	108.8	T99 F101 Y250	T99-K248 PolarHBondContact N-O 3.46Å; T99-K248 PolarHBondContact O-N 3.31Å; F101-K248 HydrophobicContact CE1-CB 4.09Å; F101-K248 HydrophobicContact CE1-CD 3.78Å; F101-K248 HydrophobicContact CE1-CG 4.31Å; F101-K248 HydrophobicContact CE2-CB 4.08Å; F101-K248 HydrophobicContact CZ-CB 3.82Å; F101-K248 HydrophobicContact CZ-CD 4.1Å; F101-K248 HydrophobicContact CZ-CG 4.14Å; K248-Y250 HydrophobicContact CB-CE2 4.45Å; K248-Y250 HydrophobicContact CD-CE1 4.09Å; K248-Y250 HydrophobicContact CD-CE2 4.33Å; K248-Y250 WeakPolarHBondContact CD-OH 3.32Å; K248-Y250 VanDerWaalsContact CE-CE1 3.4Å; K248-Y250 VanDerWaalsContact CE-CZ 3.47Å; K248-Y250 WeakPolarHBondContact CE-OH 3.23Å; K248-Y250 HydrophobicContact CG-CE1 4.22Å; K248-Y250 HydrophobicContact CG-CE2 4.02Å; K248-Y250 PolarHBondContact NZ-OH 3.12Å
249	M	96.5	Very high	92.3	Very high	4 Å²	4	51 Å²	51	2%	0.02	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133	-176.4	-58.6	-173.3	179.4	0	0	109.6	V96 I97 V98 L114 L118 V237 F240 Q241 V247 P251	V96-M249 HydrophobicContact CG2-CB 4.04Å; I97-M249 CarbonylContact O-C 3.57Å; I97-M249 VanDerWaalsContact O-CA 3.31Å; I97-M249 WeakPolarHBondContact O-CA 3.48Å; V98-M249 HydrophobicContact CG1-CE 4.31Å; V98-M249 HydrophobicContact CG1-CG 4.42Å; V98-M249 HydrophobicContact CG2-CG 4.34Å; L114-M249 HydrophobicContact CD2-CE 3.73Å; L118-M249 HydrophobicContact CD1-SD 4.21Å; L118-M249 HydrophobicContact CD2-CE 4.01Å; L118-M249 HydrophobicContact CD2-SD 3.87Å; V237-M249 HydrophobicContact CG1-CB 3.74Å; V237-M249 HydrophobicContact CG1-SD 4.02Å; F240-M249 HydrophobicContact CD1-CE 3.45Å; F240-M249 VanDerWaalsContact CD1-CE 3.45Å; F240-M249 HydrophobicContact CD1-SD 4.06Å; F240-M249 HydrophobicContact CE1-CE 3.78Å; Q241-M249 HydrophobicContact CB-CB 4.38Å; Q241-M249 HydrophobicContact CB-CG 4.31Å; Q241-M249 HydrophobicContact CB-SD 4.31Å; Q241-M249 PolarHBondContact OE1-O 2.94Å; V247-M249 HydrophobicContact CG2-CE 3.65Å; M249-P251 WeakPolarHBondContact O-CD 3.15Å
250	Y	95.6	Very high	92.1	Very high	24 Å²	24	46.6 Å²	46.6	9%	0.094	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	88.5	179.1	-52.9	-87.3	0	0	0	108.1	V96 I97 T99 K248 E540 A544	V96-Y250 WeakPolarHBondContact CA-O 3.28Å; I97-Y250 HydrophobicContact CB-CD2 4.12Å; I97-Y250 HydrophobicContact CG2-CD2 4.16Å; I97-Y250 PolarHBondContact N-O 2.95Å; I97-Y250 VanDerWaalsContact N-O 3.08Å; I97-Y250 PolarHBondContact O-N 3.29Å; T99-Y250 HydrophobicContact CG2-CE2 4.03Å; K248-Y250 HydrophobicContact CB-CE2 4.45Å; K248-Y250 HydrophobicContact CD-CE1 4.09Å; K248-Y250 HydrophobicContact CD-CE2 4.33Å; K248-Y250 WeakPolarHBondContact CD-OH 3.32Å; K248-Y250 VanDerWaalsContact CE-CE1 3.4Å; K248-Y250 VanDerWaalsContact CE-CZ 3.47Å; K248-Y250 WeakPolarHBondContact CE-OH 3.23Å; K248-Y250 HydrophobicContact CG-CE1 4.22Å; K248-Y250 HydrophobicContact CG-CE2 4.02Å; K248-Y250 PolarHBondContact NZ-OH 3.12Å; Y250-E540 HydrophobicContact CD1-CB 4.04Å; Y250-E540 HydrophobicContact CE1-CB 4.47Å; Y250-A544 HydrophobicContact CD1-CB 4.18Å; Y250-A544 HydrophobicContact CD2-CB 3.79Å; Y250-A544 HydrophobicContact CE1-CB 4.27Å; Y250-A544 HydrophobicContact CE2-CB 3.91Å; Y250-A544 HydrophobicContact CG-CB 3.91Å
251	P	96	Very high	91.9	Very high	8 Å²	8	45 Å²	45	5%	0.052	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	150.3	173.6	27	-31	0	0	0	110.3	R95 F233 V237 M249 Q537	R95-P251 CarbonylContact O-C 3.59Å; R95-P251 WeakPolarHBondContact O-CA 3.4Å; F233-P251 HydrophobicContact CE1-CB 4.29Å; V237-P251 HydrophobicContact CB-CB 4.16Å; V237-P251 HydrophobicContact CB-CG 4.48Å; V237-P251 HydrophobicContact CG1-CB 3.96Å; V237-P251 HydrophobicContact CG1-CG 4.08Å; M249-P251 WeakPolarHBondContact O-CD 3.15Å; P251-Q537 WeakPolarHBondContact O-CG 3.26Å; P251-Q537 PolarHBondContact O-NE2 3.32Å; P251-Q537 VanDerWaalsContact O-NE2 3.16Å
252	Y	93.3	Very high	91.8	Very high	28 Å²	28	43 Å²	43	11%	0.11	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	143.5	171.7	-175.7	-97.8	0	0	0	109.2	Y93 G94 R95 T538 Y541	Y93-Y252 AromaticContact CE2-CD1 4Å; Y93-Y252 HydrophobicContact CE2-CD1 4Å; Y93-Y252 HydrophobicContact CE2-CE1 4.16Å; G94-Y252 CarbonylContact C-O 3.55Å; R95-Y252 PolarHBondContact N-O 2.79Å; R95-Y252 PolarHBondContact O-N 3.14Å; R95-Y252 VanDerWaalsContact O-O 3.13Å; Y252-T538 HydrophobicContact CE2-CG2 4.15Å; Y252-Y541 VanDerWaalsContact CB-CG 3.42Å; Y252-Y541 HydrophobicContact CD1-CD1 4.19Å; Y252-Y541 HydrophobicContact CD1-CE1 4.12Å; Y252-Y541 AromaticContact CD2-CD1 3.93Å; Y252-Y541 HydrophobicContact CD2-CD1 3.93Å; Y252-Y541 AromaticContact CD2-CG 3.99Å; Y252-Y541 HydrophobicContact CD2-CG 3.99Å; Y252-Y541 AromaticContact CG-CD1 3.72Å; Y252-Y541 HydrophobicContact CG-CD1 3.72Å; Y252-Y541 HydrophobicContact CG-CD2 4.14Å; Y252-Y541 HydrophobicContact CG-CE1 4.07Å; Y252-Y541 HydrophobicContact CG-CE2 4.41Å; Y252-Y541 AromaticContact CG-CG 3.77Å; Y252-Y541 HydrophobicContact CG-CG 3.77Å
253	T	93.1	Very high	91.7	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.012	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	165.5	-178.4	62.2	0	0	0	0	110.5	Y93 E230 F233 C234 S255 S256	Y93-T253 WeakPolarHBondContact O-CA 3.44Å; Y93-T253 WeakPolarHBondContact O-CB 3.45Å; E230-T253 HydrophobicContact CB-CG2 3.88Å; E230-T253 HydrophobicContact CG-CG2 4.12Å; F233-T253 HydrophobicContact CD1-CG2 3.76Å; F233-T253 HydrophobicContact CE1-CG2 4.26Å; C234-T253 VanDerWaalsContact SG-CG2 3.52Å; T253-S255 PolarHBondContact O-N 3.37Å; T253-S256 PolarHBondContact N-OG 3.4Å; T253-S256 WeakPolarHBondContact O-CB 3.21Å; T253-S256 PolarHBondContact O-N 3.16Å; T253-S256 PolarHBondContact O-OG 3.05Å; T253-S256 PolarHBondContact OG1-N 3.2Å; T253-S256 PolarHBondContact OG1-OG 3.41Å
254	S	87.6	Confident	91.6	Very high	33 Å²	33	33.9 Å²	33.9	23%	0.231	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-32.9	175.7	76.8	0	0	0	0	112.6	G91 Y93 E230	G91-S254 WeakPolarHBondContact O-CB 3.43Å; Y93-S254 PolarHBondContact O-N 3.28Å; Y93-S254 VanDerWaalsContact O-N 3.12Å; E230-S254 VanDerWaalsContact CD-OG 3.27Å; E230-S254 WeakPolarHBondContact OE1-CB 3.26Å; E230-S254 PolarHBondContact OE1-N 2.82Å; E230-S254 PolarHBondContact OE1-OG 3.42Å; E230-S254 PolarHBondContact OE2-OG 3.11Å
255	S	89.5	Confident	91.7	Very high	5 Å²	5	32.4 Å²	32.4	4%	0.035	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-15.8	177	-58.4	0	0	0	0	114.7	R92 E230 T253 L257 R258 E259	R92-S255 PolarHBondContact NH1-OG 3.27Å; R92-S255 VanDerWaalsContact NH1-OG 3.12Å; E230-S255 WeakPolarHBondContact OE2-CB 3.49Å; E230-S255 PolarHBondContact OE2-N 3.32Å; E230-S255 PolarHBondContact OE2-OG 3.07Å; T253-S255 PolarHBondContact O-N 3.37Å; S255-L257 PolarHBondContact O-N 2.86Å; S255-R258 PolarHBondContact O-N 2.89Å; S255-E259 WeakPolarHBondContact O-CG 3.18Å; S255-E259 PolarHBondContact O-N 2.82Å
256	S	91.2	Very high	92.1	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.014	16%	0.162	C	C	.	.	H	α-helix	trans	-59.4	-45	-171.4	-69	0	0	0	0	112.9	T253 R258 E259 D260 Q537	T253-S256 PolarHBondContact N-OG 3.4Å; T253-S256 WeakPolarHBondContact O-CB 3.21Å; T253-S256 PolarHBondContact O-N 3.16Å; T253-S256 PolarHBondContact O-OG 3.05Å; T253-S256 PolarHBondContact OG1-N 3.2Å; T253-S256 PolarHBondContact OG1-OG 3.41Å; S256-R258 PolarHBondContact O-N 2.85Å; S256-E259 PolarHBondContact O-N 3.36Å; S256-D260 VanDerWaalsContact O-CB 3.31Å; S256-D260 WeakPolarHBondContact O-CB 3.38Å; S256-D260 VanDerWaalsContact O-CG 3.27Å; S256-D260 PolarHBondContact O-N 2.86Å; S256-Q537 PolarHBondContact OG-NE2 2.97Å
257	L	89.7	Confident	92.5	Very high	15 Å²	15	31.4 Å²	31.4	8%	0.079	14%	0.144	C	C	.	.	H	α-helix	trans	-62.4	-43.8	179.5	176.1	65.1	0	0	0	111.9	V52 S255 D260 F261 L528 V532 T538	V52-L257 HydrophobicContact CB-CD2 4.16Å; V52-L257 HydrophobicContact CB-CG 4.44Å; V52-L257 HydrophobicContact CG1-CD2 3.92Å; V52-L257 HydrophobicContact CG1-CG 4.24Å; V52-L257 HydrophobicContact CG2-CG 4.3Å; S255-L257 PolarHBondContact O-N 2.86Å; L257-D260 PolarHBondContact O-N 2.83Å; L257-F261 VanDerWaalsContact O-CB 3.28Å; L257-F261 WeakPolarHBondContact O-CB 3.31Å; L257-F261 PolarHBondContact O-N 2.87Å; L257-L528 HydrophobicContact CD1-CB 4.08Å; L257-L528 HydrophobicContact CD2-CB 4.45Å; L257-L528 HydrophobicContact CD2-CD1 3.78Å; L257-V532 HydrophobicContact CD1-CG1 3.89Å; L257-T538 HydrophobicContact CD1-CG2 4.02Å
258	R	89.9	Confident	92.6	Very high	37 Å²	37	31.4 Å²	31.4	14%	0.14	14%	0.144	C	C	.	.	H	α-helix	trans	-60.8	-48.3	176.8	176.5	-173.2	67.7	162.2	2	110.8	E50 V52 E227 S255 S256 F261 Q262	E50-R258 WeakPolarHBondContact O-CD 3.21Å; E50-R258 WeakPolarHBondContact O-CG 3.27Å; E50-R258 IonicContact OE1-NH1 2.87Å; E50-R258 IonicContact OE2-NH1 3.79Å; V52-R258 HydrophobicContact CG2-CB 4.21Å; E227-R258 IonicContact OE1-CZ 3.3Å; E227-R258 IonicContact OE1-NH1 2.76Å; E227-R258 IonicContact OE1-NH2 2.77Å; E227-R258 PolarHBondContact OE1-NH2 2.77Å; E227-R258 IonicContact OE2-NH2 3.46Å; S255-R258 PolarHBondContact O-N 2.89Å; S256-R258 PolarHBondContact O-N 2.85Å; R258-F261 PolarHBondContact O-N 2.9Å; R258-Q262 VanDerWaalsContact O-CG 3.32Å; R258-Q262 WeakPolarHBondContact O-CG 3.19Å; R258-Q262 PolarHBondContact O-N 3.31Å
259	E	90.9	Very high	92.6	Very high	86 Å²	86	34.4 Å²	34.4	40%	0.402	16%	0.159	S	C	.	.	H	α-helix	trans	-61.8	-44.7	178.8	-72.6	176.8	-164.3	0	0	111.9	S255 S256 Q262 K263	S255-E259 WeakPolarHBondContact O-CG 3.18Å; S255-E259 PolarHBondContact O-N 2.82Å; S256-E259 PolarHBondContact O-N 3.36Å; E259-Q262 PolarHBondContact O-N 2.96Å; E259-K263 VanDerWaalsContact O-CB 3.22Å; E259-K263 WeakPolarHBondContact O-CB 3.41Å; E259-K263 PolarHBondContact O-N 3.42Å
260	D	92.3	Very high	92.6	Very high	13 Å²	13	44 Å²	44	7%	0.07	20%	0.195	C	C	.	.	H	α-helix	trans	-68.9	-35	-179.7	-73.8	-29.8	0	0	0	112.3	S256 L257 K263 T264 V532 T536 Q537 T538	S256-D260 VanDerWaalsContact O-CB 3.31Å; S256-D260 WeakPolarHBondContact O-CB 3.38Å; S256-D260 VanDerWaalsContact O-CG 3.27Å; S256-D260 PolarHBondContact O-N 2.86Å; L257-D260 PolarHBondContact O-N 2.83Å; D260-K263 WeakPolarHBondContact O-CB 3.16Å; D260-K263 PolarHBondContact O-N 3.13Å; D260-T264 PolarHBondContact O-N 2.99Å; D260-V532 HydrophobicContact CB-CB 4.13Å; D260-V532 HydrophobicContact CB-CG1 4.04Å; D260-T536 HydrophobicContact CB-CG2 3.8Å; D260-T536 WeakPolarHBondContact OD1-CB 3.25Å; D260-T536 VanDerWaalsContact OD1-CG2 3.29Å; D260-T536 WeakPolarHBondContact OD1-CG2 3.42Å; D260-T536 WeakPolarHBondContact OD2-CB 3.3Å; D260-Q537 PolarHBondContact OD2-N 2.96Å; D260-T538 VanDerWaalsContact OD2-CB 3.22Å; D260-T538 WeakPolarHBondContact OD2-CB 3.14Å; D260-T538 PolarHBondContact OD2-N 3.1Å; D260-T538 PolarHBondContact OD2-OG1 3.37Å
261	F	92	Very high	92.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65.2	-44.4	172.7	-178.7	-115.1	0	0	0	111.7	V52 L55 L257 R258 T264 N326 S327 T328 I531 V532 L819	V52-F261 HydrophobicContact CG2-CB 4.43Å; V52-F261 HydrophobicContact CG2-CD1 4.38Å; L55-F261 HydrophobicContact CD1-CE1 4.01Å; L257-F261 VanDerWaalsContact O-CB 3.28Å; L257-F261 WeakPolarHBondContact O-CB 3.31Å; L257-F261 PolarHBondContact O-N 2.87Å; R258-F261 PolarHBondContact O-N 2.9Å; F261-T264 VanDerWaalsContact O-CB 3.29Å; F261-T264 WeakPolarHBondContact O-CB 3.44Å; F261-T264 PolarHBondContact O-N 2.88Å; F261-T264 PolarHBondContact O-OG1 2.77Å; F261-N326 HydrophobicContact CE1-CB 4.27Å; F261-S327 WeakPolarHBondContact O-CB 3.43Å; F261-S327 PolarHBondContact O-OG 2.86Å; F261-T328 HydrophobicContact CZ-CG2 4.09Å; F261-I531 HydrophobicContact CD2-CB 4.16Å; F261-I531 HydrophobicContact CD2-CD1 3.97Å; F261-I531 HydrophobicContact CD2-CG1 4.2Å; F261-I531 WeakPolarHBondContact CD2-O 3.49Å; F261-I531 HydrophobicContact CE2-CB 4.14Å; F261-I531 HydrophobicContact CE2-CD1 4.26Å; F261-V532 HydrophobicContact CB-CG1 4.29Å; F261-L819 HydrophobicContact CE2-CD1 3.84Å
262	Q	91.3	Very high	92.7	Very high	18 Å²	18	48.3 Å²	48.3	8%	0.084	21%	0.214	C	C	.	.	H	α-helix	trans	-73.8	-27.1	177.1	-63.4	-63.6	-19.3	0	0	112.7	V48 E49 R258 E259 T264 S265	V48-Q262 HydrophobicContact CG1-CG 4.06Å; E49-Q262 PolarHBondContact O-NE2 3.34Å; R258-Q262 VanDerWaalsContact O-CG 3.32Å; R258-Q262 WeakPolarHBondContact O-CG 3.19Å; R258-Q262 PolarHBondContact O-N 3.31Å; E259-Q262 PolarHBondContact O-N 2.96Å; Q262-T264 PolarHBondContact O-N 2.54Å; Q262-S265 PolarHBondContact O-N 3.24Å
263	K	92.6	Very high	92.8	Very high	77 Å²	77	50.7 Å²	50.7	34%	0.335	23%	0.232	S	C	.	.	H	α-helix	trans	-61.4	-31.6	174	-175.9	-177.6	178.9	-170.6	0	111.6	E259 D260 S265 R266 V267 A535 T536	E259-K263 VanDerWaalsContact O-CB 3.22Å; E259-K263 WeakPolarHBondContact O-CB 3.41Å; E259-K263 PolarHBondContact O-N 3.42Å; D260-K263 WeakPolarHBondContact O-CB 3.16Å; D260-K263 PolarHBondContact O-N 3.13Å; K263-S265 VanDerWaalsContact C-N 3.3Å; K263-S265 PolarHBondContact O-N 3.05Å; K263-R266 PolarHBondContact O-N 3.17Å; K263-R266 VanDerWaalsContact O-N 3.16Å; K263-V267 HydrophobicContact CG-CG2 3.94Å; K263-V267 WeakPolarHBondContact O-CB 3.37Å; K263-V267 WeakPolarHBondContact O-CG2 3.34Å; K263-V267 PolarHBondContact O-N 3.45Å; K263-A535 PolarHBondContact NZ-O 2.85Å; K263-T536 HydrophobicContact CD-CG2 4.14Å
264	T	93.1	Very high	93	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-49.8	-49.7	173.1	-65.1	0	0	0	0	111.7	D260 F261 Q262 R266 V267 S268 L330 A533 S817 L819 T820	D260-T264 PolarHBondContact O-N 2.99Å; F261-T264 VanDerWaalsContact O-CB 3.29Å; F261-T264 WeakPolarHBondContact O-CB 3.44Å; F261-T264 PolarHBondContact O-N 2.88Å; F261-T264 PolarHBondContact O-OG1 2.77Å; Q262-T264 PolarHBondContact O-N 2.54Å; T264-R266 PolarHBondContact O-N 2.86Å; T264-V267 PolarHBondContact O-N 3.45Å; T264-S268 WeakPolarHBondContact O-CB 3.47Å; T264-S268 PolarHBondContact O-N 2.71Å; T264-L330 HydrophobicContact CG2-CD1 3.75Å; T264-A533 PolarHBondContact OG1-N 3.26Å; T264-S817 WeakPolarHBondContact CG2-OG 3.38Å; T264-S817 PolarHBondContact OG1-OG 3.05Å; T264-L819 HydrophobicContact CG2-CB 4.16Å; T264-L819 HydrophobicContact CG2-CD1 4.48Å; T264-L819 HydrophobicContact CG2-CD2 4.16Å; T264-T820 HydrophobicContact CG2-CG2 4.19Å
265	S	93	Very high	93.5	Very high	17 Å²	17	52.5 Å²	52.5	12%	0.119	24%	0.242	C	C	.	.	H	α-helix	trans	-64.2	-42.3	179.8	-60.4	0	0	0	0	112.6	Q262 K263 V267 S268 E269 Y325 S327	Q262-S265 PolarHBondContact O-N 3.24Å; K263-S265 VanDerWaalsContact C-N 3.3Å; K263-S265 PolarHBondContact O-N 3.05Å; S265-V267 PolarHBondContact O-N 3.23Å; S265-S268 PolarHBondContact O-N 2.8Å; S265-S268 PolarHBondContact O-OG 3.45Å; S265-E269 PolarHBondContact O-N 2.9Å; S265-Y325 WeakPolarHBondContact CB-OH 3.25Å; S265-Y325 PolarHBondContact OG-OH 3.3Å; S265-S327 PolarHBondContact OG-OG 3.18Å
266	R	92.8	Very high	93.9	Very high	182 Å²	182	56.9 Å²	56.9	69%	0.687	26%	0.264	S	S	*	.	H	α-helix	trans	-63.7	-41.5	178.2	-59.9	-178.4	-166.1	155.2	4.8	112.3	K263 T264 S268 E269	K263-R266 PolarHBondContact O-N 3.17Å; K263-R266 VanDerWaalsContact O-N 3.16Å; T264-R266 PolarHBondContact O-N 2.86Å; R266-S268 VanDerWaalsContact C-N 3.3Å; R266-S268 PolarHBondContact O-N 2.91Å; R266-E269 WeakPolarHBondContact O-CB 3.2Å; R266-E269 PolarHBondContact O-N 3.25Å
267	V	94.3	Very high	94.2	Very high	42 Å²	42	61.5 Å²	61.5	26%	0.255	29%	0.288	S	S	.	.	H	α-helix	trans	-69.2	-32	178.6	171.2	0	0	0	0	111.2	K263 T264 S265 E269 Y271 V815 P816	K263-V267 HydrophobicContact CG-CG2 3.94Å; K263-V267 WeakPolarHBondContact O-CB 3.37Å; K263-V267 WeakPolarHBondContact O-CG2 3.34Å; K263-V267 PolarHBondContact O-N 3.45Å; T264-V267 PolarHBondContact O-N 3.45Å; S265-V267 PolarHBondContact O-N 3.23Å; V267-E269 VanDerWaalsContact C-N 3.33Å; V267-E269 PolarHBondContact O-N 3.16Å; V267-Y271 WeakPolarHBondContact O-CD2 3.46Å; V267-V815 HydrophobicContact CG1-CG1 4.25Å; V267-P816 HydrophobicContact CG1-CG 3.6Å
268	S	95.1	Very high	94.6	Very high	1 Å²	1	63.8 Å²	63.8	1%	0.007	30%	0.3	C	S	.	.	H	α-helix	trans	-72.8	-21	178.2	76	0	0	0	0	114.3	T264 S265 R266 R270 Y271 L272 L330	T264-S268 WeakPolarHBondContact O-CB 3.47Å; T264-S268 PolarHBondContact O-N 2.71Å; S265-S268 PolarHBondContact O-N 2.8Å; S265-S268 PolarHBondContact O-OG 3.45Å; R266-S268 VanDerWaalsContact C-N 3.3Å; R266-S268 PolarHBondContact O-N 2.91Å; S268-R270 PolarHBondContact O-N 2.92Å; S268-Y271 WeakPolarHBondContact O-CB 3.45Å; S268-Y271 PolarHBondContact O-N 3.41Å; S268-L272 WeakPolarHBondContact O-CG 3.4Å; S268-L272 PolarHBondContact O-N 2.85Å; S268-L330 WeakPolarHBondContact OG-CD2 3.48Å
269	E	94.8	Very high	95	Very high	129 Å²	129	62.2 Å²	62.2	60%	0.603	29%	0.294	S	S	*	.	H	α-helix	trans	-49.9	-52	-170.9	-175.3	-175.7	171	0	0	113.1	S265 R266 V267 Y271 L272 V273	S265-E269 PolarHBondContact O-N 2.9Å; R266-E269 WeakPolarHBondContact O-CB 3.2Å; R266-E269 PolarHBondContact O-N 3.25Å; V267-E269 VanDerWaalsContact C-N 3.33Å; V267-E269 PolarHBondContact O-N 3.16Å; E269-Y271 VanDerWaalsContact C-N 3.3Å; E269-Y271 PolarHBondContact O-N 3.33Å; E269-L272 PolarHBondContact O-N 2.98Å; E269-V273 WeakPolarHBondContact O-CG2 3.21Å; E269-V273 PolarHBondContact O-N 3.48Å
270	R	95.8	Very high	95.3	Very high	205 Å²	205	59.8 Å²	59.8	77%	0.774	29%	0.285	S	S	*	.	H	α-helix	trans	-61.9	-38.6	-179	-64.6	-178.8	-177.2	178.4	-0.2	112.3	S268 V273 T274	S268-R270 PolarHBondContact O-N 2.92Å; R270-V273 PolarHBondContact O-N 3.3Å; R270-T274 PolarHBondContact O-N 3.01Å; R270-T274 PolarHBondContact O-OG1 2.97Å; R270-T274 VanDerWaalsContact O-OG1 3.1Å
271	Y	97.4	Very high	95.6	Very high	73 Å²	73	62.3 Å²	62.3	29%	0.286	30%	0.301	S	S	.	.	H	α-helix	trans	-73.4	-34.5	-179.7	-60.7	-93.6	0	0	0	111.9	V267 S268 E269 T274 S275 P811 A814 V815	V267-Y271 WeakPolarHBondContact O-CD2 3.46Å; S268-Y271 WeakPolarHBondContact O-CB 3.45Å; S268-Y271 PolarHBondContact O-N 3.41Å; E269-Y271 VanDerWaalsContact C-N 3.3Å; E269-Y271 PolarHBondContact O-N 3.33Å; Y271-T274 PolarHBondContact O-N 3.23Å; Y271-S275 WeakPolarHBondContact O-CB 3.33Å; Y271-S275 PolarHBondContact O-N 3.18Å; Y271-P811 WeakPolarHBondContact CD1-O 3.35Å; Y271-P811 WeakPolarHBondContact O-CB 3.35Å; Y271-A814 HydrophobicContact CD1-CB 4.07Å; Y271-A814 HydrophobicContact CE1-CB 3.63Å; Y271-A814 WeakPolarHBondContact CE1-O 3.45Å; Y271-A814 PolarHBondContact OH-O 3.49Å; Y271-V815 HydrophobicContact CD1-CG2 4.02Å; Y271-V815 HydrophobicContact CD2-CB 4.41Å; Y271-V815 HydrophobicContact CD2-CG2 3.61Å; Y271-V815 HydrophobicContact CE2-CG2 4.27Å; Y271-V815 HydrophobicContact CG-CG2 3.45Å; Y271-V815 VanDerWaalsContact CG-CG2 3.45Å
272	L	96.2	Very high	95.8	Very high	50 Å²	50	64.3 Å²	64.3	26%	0.262	31%	0.311	S	S	.	.	H	α-helix	trans	-66.3	-37.8	172.5	-69.2	176.5	0	0	0	111.8	S268 E269 S275 L276 L330 F334 L812	S268-L272 WeakPolarHBondContact O-CG 3.4Å; S268-L272 PolarHBondContact O-N 2.85Å; E269-L272 PolarHBondContact O-N 2.98Å; L272-S275 WeakPolarHBondContact O-CB 3.38Å; L272-S275 PolarHBondContact O-N 3.48Å; L272-L276 PolarHBondContact O-N 3.34Å; L272-L330 HydrophobicContact CD1-CD2 3.81Å; L272-F334 HydrophobicContact CD2-CE2 3.9Å; L272-F334 HydrophobicContact CD2-CZ 3.85Å; L272-L812 HydrophobicContact CD2-CD1 3.83Å
273	V	96.6	Very high	96.1	Very high	78 Å²	78	63.4 Å²	63.4	47%	0.473	31%	0.307	S	S	.	.	H	α-helix	trans	-63.7	-42.8	172.1	174.5	0	0	0	0	110.8	E269 R270 L276 I277	E269-V273 WeakPolarHBondContact O-CG2 3.21Å; E269-V273 PolarHBondContact O-N 3.48Å; R270-V273 PolarHBondContact O-N 3.3Å; V273-L276 PolarHBondContact O-N 3.28Å; V273-I277 HydrophobicContact CG1-CD1 4.15Å; V273-I277 WeakPolarHBondContact O-CG1 2.84Å; V273-I277 PolarHBondContact O-N 3.39Å
274	T	97.7	Very high	96.2	Very high	65 Å²	65	62.1 Å²	62.1	40%	0.399	30%	0.303	S	S	.	.	H	α-helix	trans	-61.1	-44	173.2	-54.7	0	0	0	0	111.9	R270 Y271 L276 I277 L278 P811	R270-T274 PolarHBondContact O-N 3.01Å; R270-T274 PolarHBondContact O-OG1 2.97Å; R270-T274 VanDerWaalsContact O-OG1 3.1Å; Y271-T274 PolarHBondContact O-N 3.23Å; T274-L276 VanDerWaalsContact C-N 3.34Å; T274-L276 PolarHBondContact O-N 3.27Å; T274-I277 PolarHBondContact O-N 2.83Å; T274-L278 HydrophobicContact CG2-CD1 4.07Å; T274-L278 HydrophobicContact CG2-CG 4.35Å; T274-L278 VanDerWaalsContact O-CG 3.31Å; T274-L278 WeakPolarHBondContact O-CG 3.12Å; T274-L278 PolarHBondContact O-N 2.95Å; T274-P811 HydrophobicContact CG2-CB 4.5Å; T274-P811 HydrophobicContact CG2-CG 4.1Å
275	S	97.6	Very high	96.2	Very high	8 Å²	8	67.6 Å²	67.6	6%	0.056	33%	0.331	C	S	.	.	H	α-helix	trans	-56.2	-47.7	174.9	175.7	0	0	0	0	111.3	Y271 L272 I277 L278 V279 G808	Y271-S275 WeakPolarHBondContact O-CB 3.33Å; Y271-S275 PolarHBondContact O-N 3.18Å; L272-S275 WeakPolarHBondContact O-CB 3.38Å; L272-S275 PolarHBondContact O-N 3.48Å; S275-I277 PolarHBondContact O-N 3.26Å; S275-L278 PolarHBondContact O-N 2.96Å; S275-V279 WeakPolarHBondContact O-CB 3.46Å; S275-V279 WeakPolarHBondContact O-CG2 3.5Å; S275-V279 PolarHBondContact O-N 2.79Å; S275-G808 WeakPolarHBondContact CB-O 3.34Å; S275-G808 WeakPolarHBondContact OG-CA 3.31Å; S275-G808 PolarHBondContact OG-O 3.21Å
276	L	96.9	Very high	96.1	Very high	96 Å²	96	67.1 Å²	67.1	50%	0.503	33%	0.328	S	S	.	.	H	α-helix	trans	-59.2	-46.3	177.3	-179.5	62.9	0	0	0	112.3	L272 V273 T274 L278 V279 V280	L272-L276 PolarHBondContact O-N 3.34Å; V273-L276 PolarHBondContact O-N 3.28Å; T274-L276 VanDerWaalsContact C-N 3.34Å; T274-L276 PolarHBondContact O-N 3.27Å; L276-L278 PolarHBondContact O-N 3.45Å; L276-V279 PolarHBondContact O-N 3.04Å; L276-V280 HydrophobicContact CD1-CG2 4.19Å; L276-V280 WeakPolarHBondContact O-CB 3.35Å; L276-V280 VanDerWaalsContact O-CG2 3.24Å; L276-V280 WeakPolarHBondContact O-CG2 3.16Å; L276-V280 PolarHBondContact O-N 3.33Å
277	I	98.1	Very high	96	Very high	100 Å²	100	58.5 Å²	58.5	51%	0.513	30%	0.296	S	S	.	.	H	α-helix	trans	-60.3	-47.1	178.3	-67.3	165.7	0	0	0	110.4	V273 T274 S275 V280 T281	V273-I277 HydrophobicContact CG1-CD1 4.15Å; V273-I277 WeakPolarHBondContact O-CG1 2.84Å; V273-I277 PolarHBondContact O-N 3.39Å; T274-I277 PolarHBondContact O-N 2.83Å; S275-I277 PolarHBondContact O-N 3.26Å; I277-V280 PolarHBondContact O-N 3.31Å; I277-T281 WeakPolarHBondContact O-CG2 3.26Å; I277-T281 PolarHBondContact O-N 3.49Å; I277-T281 PolarHBondContact O-OG1 3.47Å
278	L	98.3	Very high	95.8	Very high	63 Å²	63	58.9 Å²	58.9	33%	0.33	30%	0.3	S	S	.	.	H	α-helix	trans	-65.8	-38.5	-178.9	-69.5	177.1	0	0	0	112.6	T274 S275 L276 T281 M282 V807 P811	T274-L278 HydrophobicContact CG2-CD1 4.07Å; T274-L278 HydrophobicContact CG2-CG 4.35Å; T274-L278 VanDerWaalsContact O-CG 3.31Å; T274-L278 WeakPolarHBondContact O-CG 3.12Å; T274-L278 PolarHBondContact O-N 2.95Å; S275-L278 PolarHBondContact O-N 2.96Å; L276-L278 PolarHBondContact O-N 3.45Å; L278-T281 WeakPolarHBondContact CA-OG1 3.39Å; L278-T281 PolarHBondContact O-OG1 2.97Å; L278-M282 VanDerWaalsContact O-CB 3.28Å; L278-M282 WeakPolarHBondContact O-CB 3.34Å; L278-M282 PolarHBondContact O-N 3.41Å; L278-V807 HydrophobicContact CB-CG1 3.49Å; L278-V807 VanDerWaalsContact CB-CG1 3.49Å; L278-V807 HydrophobicContact CG-CG1 4.46Å; L278-P811 HydrophobicContact CD1-CG 3.75Å
279	V	98.3	Very high	95.2	Very high	4 Å²	4	60.1 Å²	60.1	2%	0.024	31%	0.306	C	S	.	.	H	α-helix	trans	-67.6	-42.6	176	170.1	0	0	0	0	110.8	S275 L276 M282 A283 L304 L337	S275-V279 WeakPolarHBondContact O-CB 3.46Å; S275-V279 WeakPolarHBondContact O-CG2 3.5Å; S275-V279 PolarHBondContact O-N 2.79Å; L276-V279 PolarHBondContact O-N 3.04Å; V279-M282 PolarHBondContact O-N 2.82Å; V279-A283 VanDerWaalsContact O-CB 3.25Å; V279-A283 WeakPolarHBondContact O-CB 3.47Å; V279-A283 PolarHBondContact O-N 2.78Å; V279-L304 HydrophobicContact CG1-CD1 3.77Å; V279-L304 HydrophobicContact CG1-CD2 3.47Å; V279-L304 VanDerWaalsContact CG1-CD2 3.47Å; V279-L304 HydrophobicContact CG1-CG 4.28Å; V279-L337 HydrophobicContact CG1-CD1 3.65Å; V279-L337 HydrophobicContact CG2-CD2 4.24Å
280	V	98.1	Very high	94.3	Very high	34 Å²	34	61.4 Å²	61.4	21%	0.206	31%	0.312	C	S	.	.	H	α-helix	trans	-61.9	-47	176.9	168.4	0	0	0	0	111	L276 I277 A283 I284 L301 L304	L276-V280 HydrophobicContact CD1-CG2 4.19Å; L276-V280 WeakPolarHBondContact O-CB 3.35Å; L276-V280 VanDerWaalsContact O-CG2 3.24Å; L276-V280 WeakPolarHBondContact O-CG2 3.16Å; L276-V280 PolarHBondContact O-N 3.33Å; I277-V280 PolarHBondContact O-N 3.31Å; V280-A283 PolarHBondContact O-N 3.29Å; V280-I284 HydrophobicContact CG1-CD1 3.84Å; V280-I284 WeakPolarHBondContact O-CB 3.39Å; V280-I284 VanDerWaalsContact O-CG1 3.28Å; V280-I284 WeakPolarHBondContact O-CG1 3.43Å; V280-I284 PolarHBondContact O-N 3.31Å; V280-L301 HydrophobicContact CG1-CD1 3.93Å; V280-L301 HydrophobicContact CG2-CD1 4.36Å; V280-L304 HydrophobicContact CB-CD1 4.14Å; V280-L304 HydrophobicContact CG2-CD1 3.59Å
281	T	97.6	Very high	93.5	Very high	67 Å²	67	52.1 Å²	52.1	41%	0.411	28%	0.278	S	S	.	.	H	α-helix	trans	-63.9	-44.2	178.1	55.9	0	0	0	0	111.1	I277 L278 I284 L285	I277-T281 WeakPolarHBondContact O-CG2 3.26Å; I277-T281 PolarHBondContact O-N 3.49Å; I277-T281 PolarHBondContact O-OG1 3.47Å; L278-T281 WeakPolarHBondContact CA-OG1 3.39Å; L278-T281 PolarHBondContact O-OG1 2.97Å; T281-I284 PolarHBondContact O-N 3.4Å; T281-L285 VanDerWaalsContact O-CG 3.26Å; T281-L285 WeakPolarHBondContact O-CG 3.39Å; T281-L285 PolarHBondContact O-N 3.21Å
282	M	96.9	Very high	92.7	Very high	41 Å²	41	49.1 Å²	49.1	20%	0.202	27%	0.267	C	S	.	.	H	α-helix	trans	-65.8	-39.9	179	-165.7	58.8	-169.2	0	0	112.4	L278 V279 L285 C286 L803 V807	L278-M282 VanDerWaalsContact O-CB 3.28Å; L278-M282 WeakPolarHBondContact O-CB 3.34Å; L278-M282 PolarHBondContact O-N 3.41Å; V279-M282 PolarHBondContact O-N 2.82Å; M282-L285 PolarHBondContact O-N 3Å; M282-C286 WeakPolarHBondContact O-CB 3.28Å; M282-C286 PolarHBondContact O-N 3.41Å; M282-C286 PolarHBondContact O-SG 2.75Å; M282-C286 VanDerWaalsContact O-SG 3.34Å; M282-L803 HydrophobicContact CE-CB 3.72Å; M282-L803 HydrophobicContact CE-CD1 3.85Å; M282-L803 HydrophobicContact CE-CG 4.25Å; M282-V807 HydrophobicContact CB-CG1 4.26Å; M282-V807 HydrophobicContact CG-CG2 4.28Å
283	A	96.9	Very high	92.1	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.4	-41.9	176.8	0	0	0	0	0	111.9	V279 V280 L285 C286 C287 L304 F345	V279-A283 VanDerWaalsContact O-CB 3.25Å; V279-A283 WeakPolarHBondContact O-CB 3.47Å; V279-A283 PolarHBondContact O-N 2.78Å; V280-A283 PolarHBondContact O-N 3.29Å; A283-L285 VanDerWaalsContact C-N 3.35Å; A283-C286 PolarHBondContact O-N 3.2Å; A283-C287 PolarHBondContact O-N 3.1Å; A283-C287 PolarHBondContact O-SG 3.2Å; A283-L304 HydrophobicContact CB-CD1 3.81Å; A283-L304 HydrophobicContact CB-CG 4.36Å; A283-F345 HydrophobicContact CB-CZ 4.43Å
284	I	95.5	Very high	91.5	Very high	50 Å²	50	44.1 Å²	44.1	26%	0.256	24%	0.237	S	C	.	.	H	α-helix	trans	-60.8	-45.1	174.1	-72.5	168.2	0	0	0	110.6	V280 T281 C287 S288 P297 L301	V280-I284 HydrophobicContact CG1-CD1 3.84Å; V280-I284 WeakPolarHBondContact O-CB 3.39Å; V280-I284 VanDerWaalsContact O-CG1 3.28Å; V280-I284 WeakPolarHBondContact O-CG1 3.43Å; V280-I284 PolarHBondContact O-N 3.31Å; T281-I284 PolarHBondContact O-N 3.4Å; I284-C287 PolarHBondContact O-N 3.22Å; I284-S288 WeakPolarHBondContact O-CB 3.34Å; I284-S288 PolarHBondContact O-N 3.4Å; I284-P297 HydrophobicContact CG2-CB 3.8Å; I284-L301 HydrophobicContact CG1-CB 4.42Å
285	L	92.4	Very high	91.1	Very high	114 Å²	114	41.3 Å²	41.3	60%	0.597	22%	0.22	S	C	*	.	H	α-helix	trans	-64.5	-44.3	177.9	-70.4	171.8	0	0	0	111.9	T281 M282 A283 C287 S288	T281-L285 VanDerWaalsContact O-CG 3.26Å; T281-L285 WeakPolarHBondContact O-CG 3.39Å; T281-L285 PolarHBondContact O-N 3.21Å; M282-L285 PolarHBondContact O-N 3Å; A283-L285 VanDerWaalsContact C-N 3.35Å; L285-C287 VanDerWaalsContact C-N 3.26Å; L285-C287 PolarHBondContact O-N 2.97Å; L285-S288 WeakPolarHBondContact O-CB 3.44Å; L285-S288 PolarHBondContact O-N 2.96Å
286	C	91.4	Very high	90.8	Very high	8 Å²	8	41.3 Å²	41.3	5%	0.054	22%	0.219	C	C	.	.	H	α-helix	trans	-59.7	-34.6	176.5	-80	0	0	0	0	112.8	M282 A283 F345 Q800	M282-C286 WeakPolarHBondContact O-CB 3.28Å; M282-C286 PolarHBondContact O-N 3.41Å; M282-C286 PolarHBondContact O-SG 2.75Å; M282-C286 VanDerWaalsContact O-SG 3.34Å; A283-C286 PolarHBondContact O-N 3.2Å; C286-F345 HydrophobicContact CB-CE1 4.21Å; C286-F345 HydrophobicContact CB-CZ 4.19Å; C286-Q800 HydrophobicContact CB-CB 4.25Å; C286-Q800 HydrophobicContact CB-CG 3.99Å; C286-Q800 PolarHBondContact O-NE2 3.23Å
287	C	91.1	Very high	90.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-87.2	-8	176.8	-65.8	0	0	0	0	114	A283 I284 L285 K296 G300 L348 R352	A283-C287 PolarHBondContact O-N 3.1Å; A283-C287 PolarHBondContact O-SG 3.2Å; I284-C287 PolarHBondContact O-N 3.22Å; L285-C287 VanDerWaalsContact C-N 3.26Å; L285-C287 PolarHBondContact O-N 2.97Å; C287-K296 WeakPolarHBondContact CB-O 3.27Å; C287-K296 CarbonylContact O-C 3.59Å; C287-K296 PolarHBondContact O-N 2.76Å; C287-G300 VanDerWaalsContact SG-CA 3.53Å; C287-G300 PolarHBondContact SG-N 3.36Å; C287-G300 VanDerWaalsContact SG-N 3.44Å; C287-L348 HydrophobicContact CB-CD2 4.17Å; C287-L348 WeakPolarHBondContact SG-CD2 3.42Å; C287-R352 PolarHBondContact O-NH2 3.29Å
288	S	88.9	Confident	90.3	Very high	50 Å²	50	37.8 Å²	37.8	35%	0.35	19%	0.194	S	C	.	.			trans	-81.3	147.8	-179.4	-164.5	0	0	0	0	112	I284 L285 S295	I284-S288 WeakPolarHBondContact O-CB 3.34Å; I284-S288 PolarHBondContact O-N 3.4Å; L285-S288 WeakPolarHBondContact O-CB 3.44Å; L285-S288 PolarHBondContact O-N 2.96Å; S288-S295 WeakPolarHBondContact CA-OG 3.28Å; S288-S295 PolarHBondContact OG-OG 3.41Å
289	M	82.6	Confident	90.2	Very high	28 Å²	28	34.8 Å²	34.8	14%	0.138	18%	0.178	C	C	.	.			trans	-133.1	159.1	-179.5	-72.4	-73.5	-87.7	0	0	110.4	D291 S295 S480 H481	M289-D291 PolarHBondContact O-N 3.17Å; M289-S295 PolarHBondContact N-OG 3.44Å; M289-S480 WeakPolarHBondContact CE-OG 3.23Å; M289-H481 VanDerWaalsContact CE-CA 3.44Å; M289-H481 HydrophobicContact CE-CB 3.5Å; M289-H481 VanDerWaalsContact CE-CB 3.5Å; M289-H481 WeakPolarHBondContact SD-CA 3.37Å; M289-H481 HydrophobicContact SD-CB 3.49Å; M289-H481 WeakPolarHBondContact SD-CB 3.39Å; M289-H481 PolarHBondContact SD-CD2 3.23Å
290	Q	76.3	Confident	90	Very high	156 Å²	156	34.8 Å²	34.8	73%	0.729	18%	0.179	S	C	*	.	S	Bend	trans	-64.8	-30.1	171.8	-170.8	173.9	-0.1	0	0	112.1
291	D	79.4	Confident	89.9	Confident	10 Å²	10	35.7 Å²	35.7	5%	0.053	18%	0.182	C	C	.	.	S	Bend	trans	-80.6	118.9	174.8	-171.5	-45.2	0	0	0	111.2	M289 V293 R294 S295 R464	M289-D291 PolarHBondContact O-N 3.17Å; D291-V293 VanDerWaalsContact C-N 3.29Å; D291-V293 PolarHBondContact O-N 3.04Å; D291-V293 PolarHBondContact OD1-N 3.06Å; D291-R294 HydrophobicContact CB-CB 4.15Å; D291-R294 PolarHBondContact O-N 3.47Å; D291-R294 PolarHBondContact OD1-N 3.44Å; D291-R294 IonicContact OD2-CZ 3.99Å; D291-R294 IonicContact OD2-NH1 3.94Å; D291-R294 PolarHBondContact OD2-NH1 3.46Å; D291-S295 WeakPolarHBondContact O-CB 3.42Å; D291-S295 PolarHBondContact O-N 3.44Å; D291-R464 PolarHBondContact OD2-N 3.48Å; D291-R464 VanDerWaalsContact OD2-N 3.14Å
292	C	80.6	Confident	89.9	Confident	9 Å²	9	34.8 Å²	34.8	6%	0.061	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-21.5	-175.5	69.4	0	0	0	0	114.6	S438 L460 T462	C292-S438 WeakPolarHBondContact O-CB 3.32Å; C292-S438 PolarHBondContact O-N 3.36Å; C292-S438 PolarHBondContact O-OG 2.83Å; C292-L460 WeakPolarHBondContact CB-O 3.23Å; C292-T462 PolarHBondContact N-O 3.29Å; C292-T462 PolarHBondContact SG-O 3.02Å
293	V	83.2	Confident	90	Very high	5 Å²	5	33 Å²	33	3%	0.03	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-41.6	178.4	179.2	0	0	0	0	110.7	D291 E432 Y435 V444 A463	D291-V293 VanDerWaalsContact C-N 3.29Å; D291-V293 PolarHBondContact O-N 3.04Å; D291-V293 PolarHBondContact OD1-N 3.06Å; V293-E432 HydrophobicContact CG1-CG 4.44Å; V293-Y435 HydrophobicContact CG1-CD2 4.16Å; V293-Y435 HydrophobicContact CG1-CE2 4.4Å; V293-Y435 HydrophobicContact CG2-CD1 4.23Å; V293-Y435 HydrophobicContact CG2-CD2 4.46Å; V293-Y435 HydrophobicContact CG2-CE1 4.03Å; V293-Y435 HydrophobicContact CG2-CE2 4.3Å; V293-Y435 HydrophobicContact CG2-CG 4.43Å; V293-V444 HydrophobicContact CG2-CB 4.28Å; V293-V444 HydrophobicContact CG2-CG2 3.67Å; V293-A463 HydrophobicContact CG2-CB 4Å
294	R	84.8	Confident	90	Very high	19 Å²	19	33.3 Å²	33.3	7%	0.072	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-19.7	-176.4	-62.8	174	174.5	108.8	-0.2	113.8	D291 K296 E356 R464 S466	D291-R294 HydrophobicContact CB-CB 4.15Å; D291-R294 PolarHBondContact O-N 3.47Å; D291-R294 PolarHBondContact OD1-N 3.44Å; D291-R294 IonicContact OD2-CZ 3.99Å; D291-R294 IonicContact OD2-NH1 3.94Å; D291-R294 PolarHBondContact OD2-NH1 3.46Å; R294-K296 WeakPolarHBondContact O-CG 3.03Å; R294-E356 WeakPolarHBondContact CD-OE1 3.4Å; R294-E356 IonicContact CZ-OE1 3.56Å; R294-E356 IonicContact CZ-OE2 2.7Å; R294-E356 IonicContact NE-OE1 2.66Å; R294-E356 PolarHBondContact NE-OE1 3.44Å; R294-E356 IonicContact NE-OE2 3.45Å; R294-E356 PolarHBondContact NE-OE2 3.2Å; R294-E356 IonicContact NH2-OE1 3.61Å; R294-E356 PolarHBondContact NH2-OE1 2.9Å; R294-E356 IonicContact NH2-OE2 3.72Å; R294-E356 PolarHBondContact NH2-OE2 3.43Å; R294-R464 PolarHBondContact NH1-O 2.94Å; R294-S466 PolarHBondContact NH2-OG 3.13Å
295	S	87.9	Confident	90.1	Very high	5 Å²	5	33.3 Å²	33.3	4%	0.035	17%	0.171	C	C	.	.			trans	-55.4	139.4	171.4	-171.2	0	0	0	0	110.3	S288 M289 D291 P297 S438	S288-S295 WeakPolarHBondContact CA-OG 3.28Å; S288-S295 PolarHBondContact OG-OG 3.41Å; M289-S295 PolarHBondContact N-OG 3.44Å; D291-S295 WeakPolarHBondContact O-CB 3.42Å; D291-S295 PolarHBondContact O-N 3.44Å; S295-P297 VanDerWaalsContact C-CD 3.44Å; S295-P297 WeakPolarHBondContact OG-CD 3.46Å; S295-S438 WeakPolarHBondContact O-CB 3.19Å
296	K	91.2	Very high	90.4	Very high	8 Å²	8	27.9 Å²	27.9	4%	0.035	14%	0.142	C	C	.	.			trans	-132.2	52.2	179.9	-60.7	-159.3	-177.7	-55	0	112.4	C287 R294 W298 L299 L348 W351 T428 E432	C287-K296 WeakPolarHBondContact CB-O 3.27Å; C287-K296 CarbonylContact O-C 3.59Å; C287-K296 PolarHBondContact O-N 2.76Å; R294-K296 WeakPolarHBondContact O-CG 3.03Å; K296-W298 PolarHBondContact O-N 3.34Å; K296-W298 VanDerWaalsContact O-N 3.15Å; K296-L299 HydrophobicContact CB-CB 4.29Å; K296-L299 HydrophobicContact CB-CD1 3.8Å; K296-L299 HydrophobicContact CB-CG 4.02Å; K296-L299 HydrophobicContact CD-CD1 3.43Å; K296-L299 VanDerWaalsContact CD-CD1 3.43Å; K296-L299 HydrophobicContact CD-CG 4.31Å; K296-L299 HydrophobicContact CG-CD1 4.23Å; K296-L299 WeakPolarHBondContact O-CB 3.44Å; K296-L299 PolarHBondContact O-N 3.43Å; K296-L348 HydrophobicContact CD-CD1 4.02Å; K296-W351 VanDerWaalsContact CE-NE1 3.33Å; K296-T428 PolarHBondContact NZ-O 2.99Å; K296-E432 WeakPolarHBondContact CE-OE2 3.35Å; K296-E432 IonicContact NZ-OE2 3.24Å; K296-E432 PolarHBondContact NZ-OE2 2.97Å
297	P	91.4	Very high	90.7	Very high	9 Å²	9	28 Å²	28	6%	0.058	14%	0.142	C	C	.	.	H	α-helix	trans	-57.3	-37.5	-172.5	23.7	-32.8	0	0	0	112.4	I284 S295 L299 G300 I439	I284-P297 HydrophobicContact CG2-CB 3.8Å; S295-P297 VanDerWaalsContact C-CD 3.44Å; S295-P297 WeakPolarHBondContact OG-CD 3.46Å; P297-L299 VanDerWaalsContact C-N 3.26Å; P297-L299 PolarHBondContact O-N 3.23Å; P297-G300 PolarHBondContact O-N 2.63Å; P297-G300 VanDerWaalsContact O-N 3.14Å; P297-I439 HydrophobicContact CG-CG1 3.9Å
298	W	93.6	Very high	91	Very high	113 Å²	113	31.1 Å²	31.1	43%	0.428	16%	0.164	S	C	.	.	H	α-helix	trans	-64.5	-25.5	178.7	-60.8	123.7	0	0	0	113.9	K296 G300 L301 L302 S438 I439	K296-W298 PolarHBondContact O-N 3.34Å; K296-W298 VanDerWaalsContact O-N 3.15Å; W298-G300 VanDerWaalsContact C-N 3.32Å; W298-L301 HydrophobicContact CE3-CD2 3.93Å; W298-L301 HydrophobicContact CZ3-CD2 3.98Å; W298-L301 PolarHBondContact O-N 3.34Å; W298-L302 WeakPolarHBondContact O-CB 3.28Å; W298-L302 VanDerWaalsContact O-CG 3.24Å; W298-L302 WeakPolarHBondContact O-CG 3.31Å; W298-L302 PolarHBondContact O-N 3.44Å; W298-S438 VanDerWaalsContact CD1-O 3.3Å; W298-S438 PolarHBondContact NE1-O 2.77Å; W298-I439 HydrophobicContact CZ2-CG2 4.29Å; W298-I439 PolarHBondContact NE1-O 3.05Å
299	L	95.3	Very high	91.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-67.8	-33.8	174.4	-71.3	-175.9	0	0	0	112.1	K296 P297 L301 L302 G303 L348 Y421 L425 T428	K296-L299 HydrophobicContact CB-CB 4.29Å; K296-L299 HydrophobicContact CB-CD1 3.8Å; K296-L299 HydrophobicContact CB-CG 4.02Å; K296-L299 HydrophobicContact CD-CD1 3.43Å; K296-L299 VanDerWaalsContact CD-CD1 3.43Å; K296-L299 HydrophobicContact CD-CG 4.31Å; K296-L299 HydrophobicContact CG-CD1 4.23Å; K296-L299 WeakPolarHBondContact O-CB 3.44Å; K296-L299 PolarHBondContact O-N 3.43Å; P297-L299 VanDerWaalsContact C-N 3.26Å; P297-L299 PolarHBondContact O-N 3.23Å; L299-L301 VanDerWaalsContact C-N 3.34Å; L299-L302 PolarHBondContact O-N 2.89Å; L299-G303 PolarHBondContact O-N 3.48Å; L299-L348 HydrophobicContact CD1-CD1 3.76Å; L299-Y421 HydrophobicContact CB-CE2 4.36Å; L299-Y421 HydrophobicContact CD2-CE2 4.34Å; L299-L425 HydrophobicContact CD1-CD1 3.67Å; L299-T428 HydrophobicContact CD2-CG2 3.71Å; L299-T428 HydrophobicContact CG-CG2 3.89Å
300	G	94.8	Very high	92.2	Very high	4 Å²	4	28.4 Å²	28.4	4%	0.041	15%	0.146	C	C	.	.	H	α-helix	trans	-60.3	-46.6	173.7	0	0	0	0	0	111.2	C287 P297 W298 G303 L304	C287-G300 VanDerWaalsContact SG-CA 3.53Å; C287-G300 PolarHBondContact SG-N 3.36Å; C287-G300 VanDerWaalsContact SG-N 3.44Å; P297-G300 PolarHBondContact O-N 2.63Å; P297-G300 VanDerWaalsContact O-N 3.14Å; W298-G300 VanDerWaalsContact C-N 3.32Å; G300-G303 PolarHBondContact O-N 2.87Å; G300-L304 PolarHBondContact O-N 2.79Å
301	L	96.7	Very high	93.2	Very high	53 Å²	53	22.7 Å²	22.7	28%	0.277	12%	0.121	S	C	.	.	H	α-helix	trans	-63.8	-48.2	174.8	177.9	63.1	0	0	0	112.2	V280 I284 W298 L299 G303 L304 V305	V280-L301 HydrophobicContact CG1-CD1 3.93Å; V280-L301 HydrophobicContact CG2-CD1 4.36Å; I284-L301 HydrophobicContact CG1-CB 4.42Å; W298-L301 HydrophobicContact CE3-CD2 3.93Å; W298-L301 HydrophobicContact CZ3-CD2 3.98Å; W298-L301 PolarHBondContact O-N 3.34Å; L299-L301 VanDerWaalsContact C-N 3.34Å; L301-G303 VanDerWaalsContact C-N 3.27Å; L301-G303 PolarHBondContact O-N 3.4Å; L301-L304 WeakPolarHBondContact O-CB 3.32Å; L301-L304 PolarHBondContact O-N 3.46Å; L301-L304 VanDerWaalsContact O-N 3.12Å; L301-V305 WeakPolarHBondContact O-CG2 3.22Å; L301-V305 PolarHBondContact O-N 2.89Å
302	L	97.7	Very high	93.9	Very high	49 Å²	49	25.2 Å²	25.2	26%	0.257	14%	0.135	S	C	.	.	H	α-helix	trans	-66.2	-30	-178.7	-70.5	168.5	0	0	0	112.2	W298 L299 V305 T306 F420	W298-L302 WeakPolarHBondContact O-CB 3.28Å; W298-L302 VanDerWaalsContact O-CG 3.24Å; W298-L302 WeakPolarHBondContact O-CG 3.31Å; W298-L302 PolarHBondContact O-N 3.44Å; L299-L302 PolarHBondContact O-N 2.89Å; L302-V305 PolarHBondContact O-N 3.25Å; L302-T306 PolarHBondContact O-N 2.91Å; L302-T306 PolarHBondContact O-OG1 3.44Å; L302-F420 HydrophobicContact CB-CE1 4.49Å; L302-F420 HydrophobicContact CD2-CE1 4.12Å; L302-F420 HydrophobicContact CD2-CZ 4.06Å
303	G	97.7	Very high	94.7	Very high	2 Å²	2	24.8 Å²	24.8	2%	0.021	13%	0.132	C	C	.	.	H	α-helix	trans	-59.7	-47.9	169.4	0	0	0	0	0	111.4	L299 G300 L301 V305 T306 I307	L299-G303 PolarHBondContact O-N 3.48Å; G300-G303 PolarHBondContact O-N 2.87Å; L301-G303 VanDerWaalsContact C-N 3.27Å; L301-G303 PolarHBondContact O-N 3.4Å; G303-V305 PolarHBondContact O-N 3.45Å; G303-T306 WeakPolarHBondContact O-CB 3.31Å; G303-T306 PolarHBondContact O-N 3.47Å; G303-T306 VanDerWaalsContact O-N 3.14Å; G303-I307 WeakPolarHBondContact O-CG1 3.46Å; G303-I307 PolarHBondContact O-N 2.96Å; G303-I307 VanDerWaalsContact O-N 3.13Å
304	L	97.9	Very high	95.4	Very high	7 Å²	7	24.5 Å²	24.5	4%	0.037	13%	0.13	C	C	.	.	H	α-helix	trans	-65.6	-36.2	175.6	-64.3	170.9	0	0	0	113.1	V279 V280 A283 G300 L301 T306 I307 S308 L337 L341	V279-L304 HydrophobicContact CG1-CD1 3.77Å; V279-L304 HydrophobicContact CG1-CD2 3.47Å; V279-L304 VanDerWaalsContact CG1-CD2 3.47Å; V279-L304 HydrophobicContact CG1-CG 4.28Å; V280-L304 HydrophobicContact CB-CD1 4.14Å; V280-L304 HydrophobicContact CG2-CD1 3.59Å; A283-L304 HydrophobicContact CB-CD1 3.81Å; A283-L304 HydrophobicContact CB-CG 4.36Å; G300-L304 PolarHBondContact O-N 2.79Å; L301-L304 WeakPolarHBondContact O-CB 3.32Å; L301-L304 PolarHBondContact O-N 3.46Å; L301-L304 VanDerWaalsContact O-N 3.12Å; L304-T306 VanDerWaalsContact C-N 3.3Å; L304-T306 PolarHBondContact O-N 3.19Å; L304-I307 HydrophobicContact CD2-CD1 4.38Å; L304-I307 PolarHBondContact O-N 3.37Å; L304-S308 WeakPolarHBondContact O-CB 3.37Å; L304-S308 PolarHBondContact O-N 3.43Å; L304-S308 PolarHBondContact O-OG 2.96Å; L304-L337 HydrophobicContact CD2-CD1 3.82Å; L304-L341 HydrophobicContact CD2-CD2 3.8Å
305	V	97.9	Very high	95.9	Very high	51 Å²	51	24.8 Å²	24.8	31%	0.309	14%	0.136	S	C	.	.	H	α-helix	trans	-61.4	-42	172.1	172.2	0	0	0	0	110.4	L301 L302 G303 I307 S308 L309 F420	L301-V305 WeakPolarHBondContact O-CG2 3.22Å; L301-V305 PolarHBondContact O-N 2.89Å; L302-V305 PolarHBondContact O-N 3.25Å; G303-V305 PolarHBondContact O-N 3.45Å; V305-I307 VanDerWaalsContact C-N 3.35Å; V305-I307 PolarHBondContact O-N 2.81Å; V305-S308 PolarHBondContact O-N 3.43Å; V305-L309 HydrophobicContact CG1-CD1 3.92Å; V305-L309 HydrophobicContact CG1-CG 4.18Å; V305-L309 WeakPolarHBondContact O-CB 3.18Å; V305-L309 VanDerWaalsContact O-CG 3.26Å; V305-L309 WeakPolarHBondContact O-CG 3.09Å; V305-L309 PolarHBondContact O-N 3.48Å; V305-F420 HydrophobicContact CB-CE1 4.39Å; V305-F420 HydrophobicContact CG1-CE1 3.98Å; V305-F420 HydrophobicContact CG1-CZ 3.93Å
306	T	98.5	Very high	96.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-56.3	-49.4	176.5	-50.9	0	0	0	0	111.2	L302 G303 L304 S308 L309 A310 Y416 V417 F420	L302-T306 PolarHBondContact O-N 2.91Å; L302-T306 PolarHBondContact O-OG1 3.44Å; G303-T306 WeakPolarHBondContact O-CB 3.31Å; G303-T306 PolarHBondContact O-N 3.47Å; G303-T306 VanDerWaalsContact O-N 3.14Å; L304-T306 VanDerWaalsContact C-N 3.3Å; L304-T306 PolarHBondContact O-N 3.19Å; T306-S308 VanDerWaalsContact C-N 3.33Å; T306-S308 PolarHBondContact O-N 2.89Å; T306-L309 PolarHBondContact O-N 3.4Å; T306-A310 PolarHBondContact O-N 3.43Å; T306-A310 VanDerWaalsContact O-N 3.09Å; T306-Y416 VanDerWaalsContact CG2-C 3.43Å; T306-Y416 WeakPolarHBondContact CG2-O 3.39Å; T306-V417 HydrophobicContact CG2-CG2 4.16Å; T306-F420 HydrophobicContact CG2-CD1 4.44Å; T306-F420 VanDerWaalsContact OG1-CD1 3.26Å; T306-F420 WeakPolarHBondContact OG1-CD1 3.34Å
307	I	98.2	Very high	96.5	Very high	10 Å²	10	26 Å²	26	5%	0.051	14%	0.143	C	C	.	.	H	α-helix	trans	-63.3	-41.4	179.1	-60.7	169.9	0	0	0	110.8	G303 L304 V305 A310 T311 M336 L341	G303-I307 WeakPolarHBondContact O-CG1 3.46Å; G303-I307 PolarHBondContact O-N 2.96Å; G303-I307 VanDerWaalsContact O-N 3.13Å; L304-I307 HydrophobicContact CD2-CD1 4.38Å; L304-I307 PolarHBondContact O-N 3.37Å; V305-I307 VanDerWaalsContact C-N 3.35Å; V305-I307 PolarHBondContact O-N 2.81Å; I307-A310 PolarHBondContact O-N 3.11Å; I307-T311 PolarHBondContact O-N 3.33Å; I307-T311 PolarHBondContact O-OG1 3Å; I307-M336 HydrophobicContact CG2-CB 3.74Å; I307-L341 HydrophobicContact CD1-CD2 4.24Å; I307-L341 HydrophobicContact CD1-CG 4.22Å
308	S	97.1	Very high	96.6	Very high	65 Å²	65	26.6 Å²	26.6	46%	0.455	15%	0.145	S	C	.	.	H	α-helix	trans	-65.8	-42.4	179.5	-58.2	0	0	0	0	111.8	L304 V305 T306 T311 L312	L304-S308 WeakPolarHBondContact O-CB 3.37Å; L304-S308 PolarHBondContact O-N 3.43Å; L304-S308 PolarHBondContact O-OG 2.96Å; V305-S308 PolarHBondContact O-N 3.43Å; T306-S308 VanDerWaalsContact C-N 3.33Å; T306-S308 PolarHBondContact O-N 2.89Å; S308-T311 PolarHBondContact O-N 3.04Å; S308-L312 WeakPolarHBondContact O-CB 3.22Å; S308-L312 PolarHBondContact O-N 3.05Å
309	L	97.9	Very high	96.7	Very high	22 Å²	22	21.7 Å²	21.7	12%	0.115	13%	0.127	C	C	.	.	H	α-helix	trans	-62.2	-42.5	175.7	-71.9	173.4	0	0	0	111.4	V33 S36 V305 T306 L312 T313 Y416 F420	V33-L309 HydrophobicContact CG2-CD1 3.92Å; S36-L309 WeakPolarHBondContact OG-CB 3.5Å; S36-L309 PolarHBondContact OG-O 2.8Å; V305-L309 HydrophobicContact CG1-CD1 3.92Å; V305-L309 HydrophobicContact CG1-CG 4.18Å; V305-L309 WeakPolarHBondContact O-CB 3.18Å; V305-L309 VanDerWaalsContact O-CG 3.26Å; V305-L309 WeakPolarHBondContact O-CG 3.09Å; V305-L309 PolarHBondContact O-N 3.48Å; T306-L309 PolarHBondContact O-N 3.4Å; L309-L312 PolarHBondContact O-N 3.19Å; L309-T313 WeakPolarHBondContact O-CB 3.41Å; L309-T313 PolarHBondContact O-N 2.93Å; L309-T313 PolarHBondContact O-OG1 2.75Å; L309-Y416 HydrophobicContact CB-CD2 3.84Å; L309-Y416 HydrophobicContact CB-CE2 3.85Å; L309-F420 HydrophobicContact CD1-CD2 4.31Å; L309-F420 HydrophobicContact CD1-CE2 4.26Å; L309-F420 HydrophobicContact CD1-CG 4.49Å; L309-F420 HydrophobicContact CD1-CZ 4.36Å
310	A	98.4	Very high	96.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.3	-43.9	177	0	0	0	0	0	112.1	T306 I307 T313 A314 F412 N413 Y416	T306-A310 PolarHBondContact O-N 3.43Å; T306-A310 VanDerWaalsContact O-N 3.09Å; I307-A310 PolarHBondContact O-N 3.11Å; A310-T313 WeakPolarHBondContact O-CB 3.29Å; A310-T313 PolarHBondContact O-N 3.26Å; A310-A314 PolarHBondContact O-N 2.91Å; A310-F412 HydrophobicContact CB-CB 4.2Å; A310-N413 VanDerWaalsContact CB-CA 3.47Å; A310-N413 HydrophobicContact CB-CB 3.79Å; A310-Y416 HydrophobicContact CB-CD2 3.9Å; A310-Y416 HydrophobicContact CB-CE2 4.4Å
311	T	96	Very high	96.6	Very high	35 Å²	35	30.1 Å²	30.1	22%	0.215	18%	0.175	C	C	.	.	H	α-helix	trans	-63.4	-42.5	176.3	-52.3	0	0	0	0	111.3	I307 S308 T313 A314 A315	I307-T311 PolarHBondContact O-N 3.33Å; I307-T311 PolarHBondContact O-OG1 3Å; S308-T311 PolarHBondContact O-N 3.04Å; T311-T313 VanDerWaalsContact C-N 3.34Å; T311-T313 PolarHBondContact O-N 2.81Å; T311-A314 PolarHBondContact O-N 3.47Å; T311-A315 WeakPolarHBondContact O-CB 3.27Å; T311-A315 PolarHBondContact O-N 2.73Å
312	L	95.8	Very high	96.4	Very high	63 Å²	63	29.8 Å²	29.8	33%	0.33	19%	0.185	S	C	.	.	H	α-helix	trans	-62.9	-41.1	176.1	-178.3	66.3	0	0	0	111.7	F43 S308 L309 A315 G316	F43-L312 HydrophobicContact CD2-CD1 4.34Å; F43-L312 HydrophobicContact CE2-CD1 3.59Å; F43-L312 HydrophobicContact CZ-CD1 4.19Å; S308-L312 WeakPolarHBondContact O-CB 3.22Å; S308-L312 PolarHBondContact O-N 3.05Å; L309-L312 PolarHBondContact O-N 3.19Å; L312-A315 PolarHBondContact O-N 2.89Å; L312-G316 PolarHBondContact O-N 3.42Å
313	T	97.5	Very high	96.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.2	-47.6	176.7	-62.4	0	0	0	0	111.1	I35 S36 L39 L309 A310 T311 G316 I317 F412 Y416	I35-T313 HydrophobicContact CG2-CG2 4.3Å; S36-T313 PolarHBondContact OG-OG1 2.93Å; L39-T313 HydrophobicContact CD1-CG2 3.62Å; L309-T313 WeakPolarHBondContact O-CB 3.41Å; L309-T313 PolarHBondContact O-N 2.93Å; L309-T313 PolarHBondContact O-OG1 2.75Å; A310-T313 WeakPolarHBondContact O-CB 3.29Å; A310-T313 PolarHBondContact O-N 3.26Å; T311-T313 VanDerWaalsContact C-N 3.34Å; T311-T313 PolarHBondContact O-N 2.81Å; T313-G316 PolarHBondContact O-N 2.89Å; T313-I317 HydrophobicContact CG2-CD1 4.28Å; T313-I317 WeakPolarHBondContact O-CG1 3.4Å; T313-I317 PolarHBondContact O-N 3.41Å; T313-F412 HydrophobicContact CG2-CB 4.3Å; T313-F412 HydrophobicContact CG2-CD1 3.54Å; T313-F412 HydrophobicContact CG2-CD2 3.8Å; T313-F412 HydrophobicContact CG2-CE1 3.69Å; T313-F412 HydrophobicContact CG2-CE2 3.97Å; T313-F412 HydrophobicContact CG2-CG 3.59Å; T313-F412 HydrophobicContact CG2-CZ 3.9Å; T313-Y416 WeakPolarHBondContact OG1-CE2 3.35Å; T313-Y416 PolarHBondContact OG1-OH 3.25Å
314	A	96.8	Very high	96	Very high	0 Å²	0	32 Å²	32	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.9	-47.3	176.7	0	0	0	0	0	112.2	A310 T311 G316 I317 I318 I408 A409	A310-A314 PolarHBondContact O-N 2.91Å; T311-A314 PolarHBondContact O-N 3.47Å; A314-G316 VanDerWaalsContact C-N 3.29Å; A314-G316 PolarHBondContact O-N 3.5Å; A314-I317 PolarHBondContact O-N 2.67Å; A314-I317 VanDerWaalsContact O-N 3.16Å; A314-I318 WeakPolarHBondContact O-CG1 3.39Å; A314-I318 PolarHBondContact O-N 2.75Å; A314-I408 HydrophobicContact CB-CB 4.21Å; A314-I408 HydrophobicContact CB-CG2 3.77Å; A314-A409 HydrophobicContact CB-CB 3.64Å
315	A	94.8	Very high	95.7	Very high	24 Å²	24	33.9 Å²	33.9	20%	0.198	21%	0.205	C	C	.	.	H	α-helix	trans	-59.5	-40	176.1	0	0	0	0	0	112.2	F43 T311 L312 I318 N319	F43-A315 HydrophobicContact CE2-CB 3.95Å; F43-A315 HydrophobicContact CZ-CB 3.7Å; T311-A315 WeakPolarHBondContact O-CB 3.27Å; T311-A315 PolarHBondContact O-N 2.73Å; L312-A315 PolarHBondContact O-N 2.89Å; A315-I318 PolarHBondContact O-N 3.44Å; A315-N319 WeakPolarHBondContact O-CB 3.25Å; A315-N319 VanDerWaalsContact O-CG 3.23Å; A315-N319 PolarHBondContact O-N 3.29Å; A315-N319 PolarHBondContact O-ND2 3.1Å
316	G	95.9	Very high	95.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.5	-45.4	174.3	0	0	0	0	0	112.9	L39 L312 T313 A314 N319 L320	L39-G316 WeakPolarHBondContact O-CA 3.49Å; L312-G316 PolarHBondContact O-N 3.42Å; T313-G316 PolarHBondContact O-N 2.89Å; A314-G316 VanDerWaalsContact C-N 3.29Å; A314-G316 PolarHBondContact O-N 3.5Å; G316-N319 PolarHBondContact O-N 3.4Å; G316-L320 WeakPolarHBondContact O-CG 3.16Å; G316-L320 PolarHBondContact O-N 3.33Å
317	I	96	Very high	95.2	Very high	40 Å²	40	31.4 Å²	31.4	21%	0.205	19%	0.19	C	C	.	.	H	α-helix	trans	-63.2	-45.9	176.8	-68	166.8	0	0	0	111	L39 T313 A314 N319 L320 T321 I408 F412	L39-I317 HydrophobicContact CD1-CD1 4.28Å; L39-I317 HydrophobicContact CD1-CG1 4.04Å; L39-I317 HydrophobicContact CD2-CG1 4.22Å; T313-I317 HydrophobicContact CG2-CD1 4.28Å; T313-I317 WeakPolarHBondContact O-CG1 3.4Å; T313-I317 PolarHBondContact O-N 3.41Å; A314-I317 PolarHBondContact O-N 2.67Å; A314-I317 VanDerWaalsContact O-N 3.16Å; I317-N319 VanDerWaalsContact C-N 3.32Å; I317-N319 PolarHBondContact O-N 2.88Å; I317-L320 PolarHBondContact O-N 2.86Å; I317-L320 VanDerWaalsContact O-N 3.11Å; I317-T321 HydrophobicContact CG2-CG2 4.46Å; I317-T321 WeakPolarHBondContact O-CG2 3.4Å; I317-T321 PolarHBondContact O-N 3.03Å; I317-T321 PolarHBondContact O-OG1 3.26Å; I317-I408 HydrophobicContact CD1-CG2 4Å; I317-I408 HydrophobicContact CG2-CD1 4.45Å; I317-F412 HydrophobicContact CD1-CD2 4.17Å; I317-F412 HydrophobicContact CD1-CE2 3.28Å; I317-F412 HydrophobicContact CD1-CZ 3.7Å
318	I	94.4	Very high	94.8	Very high	21 Å²	21	31.1 Å²	31.1	11%	0.108	19%	0.189	C	C	.	.	H	α-helix	trans	-59.5	-43.1	177.3	-66.1	-60.4	0	0	0	111	A314 A315 L320 T321 G322 G323 N405 I408	A314-I318 WeakPolarHBondContact O-CG1 3.39Å; A314-I318 PolarHBondContact O-N 2.75Å; A315-I318 PolarHBondContact O-N 3.44Å; I318-L320 VanDerWaalsContact C-N 3.32Å; I318-L320 PolarHBondContact O-N 3.37Å; I318-T321 PolarHBondContact O-N 3.12Å; I318-T321 PolarHBondContact O-OG1 3.15Å; I318-T321 VanDerWaalsContact O-OG1 3.08Å; I318-G322 PolarHBondContact O-N 3.42Å; I318-G323 WeakPolarHBondContact O-CA 3.45Å; I318-G323 PolarHBondContact O-N 2.83Å; I318-N405 HydrophobicContact CG1-CB 4.48Å; I318-I408 HydrophobicContact CD1-CD1 3.86Å
319	N	94.4	Very high	94.7	Very high	9 Å²	9	29.1 Å²	29.1	5%	0.048	17%	0.172	C	C	.	.	H	α-helix	trans	-64.3	-35.6	176	-69.2	-26.9	0	0	0	112.2	S42 A315 G316 I317 G322	S42-N319 WeakPolarHBondContact O-CB 3.36Å; A315-N319 WeakPolarHBondContact O-CB 3.25Å; A315-N319 VanDerWaalsContact O-CG 3.23Å; A315-N319 PolarHBondContact O-N 3.29Å; A315-N319 PolarHBondContact O-ND2 3.1Å; G316-N319 PolarHBondContact O-N 3.4Å; I317-N319 VanDerWaalsContact C-N 3.32Å; I317-N319 PolarHBondContact O-N 2.88Å; N319-G322 PolarHBondContact O-N 3.02Å
320	L	95.2	Very high	94.5	Very high	73 Å²	73	28.7 Å²	28.7	38%	0.382	17%	0.17	S	C	.	.	H	α-helix	trans	-70.8	-34.8	177.9	-73.9	174.8	0	0	0	113.2	L39 S42 G316 I317 I318 G322	L39-L320 HydrophobicContact CD2-CD1 3.51Å; S42-L320 WeakPolarHBondContact OG-CD1 3.32Å; S42-L320 WeakPolarHBondContact OG-CD2 3.37Å; S42-L320 VanDerWaalsContact OG-CG 3.25Å; S42-L320 WeakPolarHBondContact OG-CG 3.2Å; G316-L320 WeakPolarHBondContact O-CG 3.16Å; G316-L320 PolarHBondContact O-N 3.33Å; I317-L320 PolarHBondContact O-N 2.86Å; I317-L320 VanDerWaalsContact O-N 3.11Å; I318-L320 VanDerWaalsContact C-N 3.32Å; I318-L320 PolarHBondContact O-N 3.37Å; L320-G322 PolarHBondContact O-N 2.88Å
321	T	93.7	Very high	94.3	Very high	108 Å²	108	28.8 Å²	28.8	66%	0.663	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	0.5	177.2	58.1	0	0	0	0	113.1	I317 I318	I317-T321 HydrophobicContact CG2-CG2 4.46Å; I317-T321 WeakPolarHBondContact O-CG2 3.4Å; I317-T321 PolarHBondContact O-N 3.03Å; I317-T321 PolarHBondContact O-OG1 3.26Å; I318-T321 PolarHBondContact O-N 3.12Å; I318-T321 PolarHBondContact O-OG1 3.15Å; I318-T321 VanDerWaalsContact O-OG1 3.08Å
322	G	93.1	Very high	94.3	Very high	47 Å²	47	27.2 Å²	27.2	49%	0.485	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	81	16.7	-179.5	0	0	0	0	0	113.8	I318 N319 L320	I318-G322 PolarHBondContact O-N 3.42Å; N319-G322 PolarHBondContact O-N 3.02Å; L320-G322 PolarHBondContact O-N 2.88Å
323	G	92.6	Very high	94.2	Very high	23 Å²	23	27.1 Å²	27.1	24%	0.237	16%	0.164	C	C	.	.			trans	-67.2	147.3	172.8	0	0	0	0	0	111.7	I318	I318-G323 WeakPolarHBondContact O-CA 3.45Å; I318-G323 PolarHBondContact O-N 2.83Å
324	K	94.1	Very high	94.2	Very high	74 Å²	74	27.4 Å²	27.4	32%	0.322	17%	0.166	S	C	.	.			trans	-111.5	142.5	-176	-58	-176.4	-162.1	158.2	0	111.8	Q47 E49	Q47-K324 HydrophobicContact CB-CG 3.94Å; Q47-K324 CarbonylContact O-C 3.59Å; Q47-K324 WeakPolarHBondContact O-CA 3.34Å; E49-K324 HydrophobicContact CB-CB 3.98Å; E49-K324 HydrophobicContact CB-CD 4.23Å; E49-K324 IonicContact OE1-NZ 3.52Å; E49-K324 PolarHBondContact OE1-NZ 3.48Å; E49-K324 WeakPolarHBondContact OE2-CD 3.47Å; E49-K324 IonicContact OE2-NZ 2.72Å; E49-K324 PolarHBondContact OE2-NZ 2.83Å
325	Y	91.9	Very high	94.1	Very high	46 Å²	46	27.6 Å²	27.6	18%	0.18	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-71.1	144.3	175.3	177.4	-92.6	0	0	0	112	Y46 Q47 E49 S265 F329	Y46-Y325 VanDerWaalsContact CE2-CB 3.41Å; Y46-Y325 HydrophobicContact CE2-CD1 4.44Å; Y46-Y325 HydrophobicContact CE2-CD2 4.17Å; Y46-Y325 AromaticContact CE2-CG 3.75Å; Y46-Y325 HydrophobicContact CE2-CG 3.75Å; Y46-Y325 AromaticContact CZ-CG 3.84Å; Y46-Y325 WeakPolarHBondContact OH-CD1 3.36Å; Q47-Y325 WeakPolarHBondContact O-CB 3.28Å; Q47-Y325 PolarHBondContact O-N 3.3Å; E49-Y325 PolarHBondContact N-O 3.38Å; S265-Y325 WeakPolarHBondContact CB-OH 3.25Å; S265-Y325 PolarHBondContact OG-OH 3.3Å; Y325-F329 HydrophobicContact CD2-CB 4.39Å; Y325-F329 AromaticContact CD2-CD2 3.92Å; Y325-F329 HydrophobicContact CD2-CD2 3.92Å; Y325-F329 HydrophobicContact CE2-CB 3.96Å; Y325-F329 HydrophobicContact CE2-CD2 4.34Å
326	N	91.8	Very high	94.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.157	C	C	.	.			trans	-148.4	157.8	172.5	69.4	87.5	0	0	0	109.9	L55 F261 T328 F329 I401	L55-N326 HydrophobicContact CD1-CB 3.68Å; L55-N326 HydrophobicContact CD2-CB 4.29Å; F261-N326 HydrophobicContact CE1-CB 4.27Å; N326-T328 PolarHBondContact O-N 3.24Å; N326-T328 VanDerWaalsContact O-N 3.09Å; N326-T328 VanDerWaalsContact OD1-CB 3.26Å; N326-T328 WeakPolarHBondContact OD1-CB 3.18Å; N326-T328 WeakPolarHBondContact OD1-CG2 3.43Å; N326-T328 PolarHBondContact OD1-N 3Å; N326-T328 VanDerWaalsContact OD1-N 3.08Å; N326-T328 PolarHBondContact OD1-OG1 3.38Å; N326-F329 WeakPolarHBondContact ND2-CE1 3.43Å; N326-F329 WeakPolarHBondContact O-CB 3.36Å; N326-F329 PolarHBondContact O-N 3.49Å; N326-F329 VanDerWaalsContact O-N 3.1Å; N326-I401 WeakPolarHBondContact ND2-CD1 3.35Å
327	S	92.8	Very high	94.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-65.7	-14.5	-172.8	-50.6	0	0	0	0	114.8	F261 S265 F329 L330	F261-S327 WeakPolarHBondContact O-CB 3.43Å; F261-S327 PolarHBondContact O-OG 2.86Å; S265-S327 PolarHBondContact OG-OG 3.18Å; S327-F329 PolarHBondContact O-N 3.3Å; S327-L330 WeakPolarHBondContact O-CB 3.21Å; S327-L330 WeakPolarHBondContact O-CD1 3.46Å; S327-L330 VanDerWaalsContact O-CG 3.25Å; S327-L330 WeakPolarHBondContact O-CG 3.39Å; S327-L330 PolarHBondContact O-N 2.94Å
328	T	91	Very high	94.3	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.018	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-65.8	-23	174.2	76.9	0	0	0	0	112.1	F261 N326 L330 G331 A398 F402 I752	F261-T328 HydrophobicContact CZ-CG2 4.09Å; N326-T328 PolarHBondContact O-N 3.24Å; N326-T328 VanDerWaalsContact O-N 3.09Å; N326-T328 VanDerWaalsContact OD1-CB 3.26Å; N326-T328 WeakPolarHBondContact OD1-CB 3.18Å; N326-T328 WeakPolarHBondContact OD1-CG2 3.43Å; N326-T328 PolarHBondContact OD1-N 3Å; N326-T328 VanDerWaalsContact OD1-N 3.08Å; N326-T328 PolarHBondContact OD1-OG1 3.38Å; T328-L330 PolarHBondContact O-N 2.97Å; T328-G331 PolarHBondContact O-N 3.07Å; T328-A398 HydrophobicContact CG2-CB 4.08Å; T328-F402 WeakPolarHBondContact O-CD2 3.3Å; T328-F402 WeakPolarHBondContact O-CE2 2.95Å; T328-I752 HydrophobicContact CG2-CD1 3.67Å
329	F	94.4	Very high	94.3	Very high	23 Å²	23	24.4 Å²	24.4	10%	0.101	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-65.3	-9.8	176.7	-71.6	0.1	0	0	0	113.9	Y325 N326 S327 G331 V332 P333 I401 F402 N405	Y325-F329 HydrophobicContact CD2-CB 4.39Å; Y325-F329 AromaticContact CD2-CD2 3.92Å; Y325-F329 HydrophobicContact CD2-CD2 3.92Å; Y325-F329 HydrophobicContact CE2-CB 3.96Å; Y325-F329 HydrophobicContact CE2-CD2 4.34Å; N326-F329 WeakPolarHBondContact ND2-CE1 3.43Å; N326-F329 WeakPolarHBondContact O-CB 3.36Å; N326-F329 PolarHBondContact O-N 3.49Å; N326-F329 VanDerWaalsContact O-N 3.1Å; S327-F329 PolarHBondContact O-N 3.3Å; F329-G331 PolarHBondContact O-N 3.2Å; F329-G331 VanDerWaalsContact O-N 3.16Å; F329-V332 HydrophobicContact CB-CG2 4.44Å; F329-V332 HydrophobicContact CD1-CG2 4.35Å; F329-V332 PolarHBondContact O-N 2.96Å; F329-P333 VanDerWaalsContact O-CD 3.28Å; F329-P333 WeakPolarHBondContact O-CD 3.34Å; F329-I401 HydrophobicContact CE1-CB 4.37Å; F329-I401 HydrophobicContact CE1-CD1 4.44Å; F329-I401 HydrophobicContact CE1-CG1 3.91Å; F329-I401 HydrophobicContact CZ-CB 4.31Å; F329-I401 HydrophobicContact CZ-CD1 4.47Å; F329-I401 HydrophobicContact CZ-CG1 4.17Å; F329-F402 HydrophobicContact CD1-CD2 4.44Å; F329-F402 HydrophobicContact CE1-CB 4.48Å; F329-N405 HydrophobicContact CE1-CB 4.41Å; F329-N405 HydrophobicContact CZ-CB 4.25Å
330	L	94.2	Very high	94.4	Very high	13 Å²	13	24 Å²	24	7%	0.068	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-56.8	-25.4	170.2	-70.4	171.9	0	0	0	112.9	T264 S268 L272 S327 T328 F334 L819 T820 L823	T264-L330 HydrophobicContact CG2-CD1 3.75Å; S268-L330 WeakPolarHBondContact OG-CD2 3.48Å; L272-L330 HydrophobicContact CD1-CD2 3.81Å; S327-L330 WeakPolarHBondContact O-CB 3.21Å; S327-L330 WeakPolarHBondContact O-CD1 3.46Å; S327-L330 VanDerWaalsContact O-CG 3.25Å; S327-L330 WeakPolarHBondContact O-CG 3.39Å; S327-L330 PolarHBondContact O-N 2.94Å; T328-L330 PolarHBondContact O-N 2.97Å; L330-F334 WeakPolarHBondContact O-CD2 3.41Å; L330-L819 HydrophobicContact CD1-CD2 3.99Å; L330-T820 HydrophobicContact CD1-CG2 4.22Å; L330-L823 HydrophobicContact CB-CD1 4Å
331	G	93.8	Very high	94.4	Very high	2 Å²	2	20.6 Å²	20.6	2%	0.021	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-77.9	-24.4	175.1	0	0	0	0	0	114.7	T328 F329 F334 V335	T328-G331 PolarHBondContact O-N 3.07Å; F329-G331 PolarHBondContact O-N 3.2Å; F329-G331 VanDerWaalsContact O-N 3.16Å; G331-F334 PolarHBondContact O-N 3.41Å; G331-F334 VanDerWaalsContact O-N 3.12Å; G331-V335 PolarHBondContact O-N 3.19Å; G331-V335 VanDerWaalsContact O-N 3.13Å
332	V	95.9	Very high	94.5	Very high	3 Å²	3	15.5 Å²	15.5	2%	0.018	10%	0.095	C	C	.	.	H	α-helix	trans	-61.1	-44.9	-172.4	175.6	0	0	0	0	112.8	F329 F334 V335 M336 F402	F329-V332 HydrophobicContact CB-CG2 4.44Å; F329-V332 HydrophobicContact CD1-CG2 4.35Å; F329-V332 PolarHBondContact O-N 2.96Å; V332-F334 PolarHBondContact O-N 2.88Å; V332-V335 PolarHBondContact O-N 3.24Å; V332-M336 HydrophobicContact CG1-CG 4.35Å; V332-M336 WeakPolarHBondContact O-CG 3.11Å; V332-M336 PolarHBondContact O-N 3.11Å; V332-F402 HydrophobicContact CG2-CD2 3.72Å; V332-F402 HydrophobicContact CG2-CE2 3.54Å; V332-F402 HydrophobicContact CG2-CG 4.41Å; V332-F402 HydrophobicContact CG2-CZ 4.09Å
333	P	94.6	Very high	94.5	Very high	61 Å²	61	13.3 Å²	13.3	40%	0.396	7%	0.073	S	C	.	.	H	α-helix	trans	-57.8	-33.5	176.7	-26.9	36.1	0	0	0	113.5	F329 M336 L337	F329-P333 VanDerWaalsContact O-CD 3.28Å; F329-P333 WeakPolarHBondContact O-CD 3.34Å; P333-M336 PolarHBondContact O-N 3.22Å; P333-L337 VanDerWaalsContact O-CB 3.29Å; P333-L337 WeakPolarHBondContact O-CB 3.47Å; P333-L337 PolarHBondContact O-N 3.09Å
334	F	96.1	Very high	94.7	Very high	6 Å²	6	12.3 Å²	12.3	3%	0.026	6%	0.062	C	C	.	.	H	α-helix	trans	-74.7	-40.9	177.8	-62.3	-77.5	0	0	0	111.4	L272 L330 G331 V332 M336 L337 G338 Y805 G808 L809 L812 L827	L272-F334 HydrophobicContact CD2-CE2 3.9Å; L272-F334 HydrophobicContact CD2-CZ 3.85Å; L330-F334 WeakPolarHBondContact O-CD2 3.41Å; G331-F334 PolarHBondContact O-N 3.41Å; G331-F334 VanDerWaalsContact O-N 3.12Å; V332-F334 PolarHBondContact O-N 2.88Å; F334-M336 PolarHBondContact O-N 2.76Å; F334-L337 WeakPolarHBondContact O-CB 3.48Å; F334-L337 PolarHBondContact O-N 3.37Å; F334-L337 VanDerWaalsContact O-N 3.14Å; F334-G338 PolarHBondContact O-N 3.42Å; F334-Y805 VanDerWaalsContact O-CE2 3.28Å; F334-Y805 WeakPolarHBondContact O-CE2 3.5Å; F334-G808 WeakPolarHBondContact CE1-O 3.41Å; F334-L809 HydrophobicContact CB-CD2 4.5Å; F334-L809 HydrophobicContact CD1-CD2 3.58Å; F334-L809 HydrophobicContact CE1-CD2 4.03Å; F334-L809 HydrophobicContact CG-CD2 4.06Å; F334-L812 HydrophobicContact CD2-CD2 4.13Å; F334-L812 HydrophobicContact CE1-CD1 4.3Å; F334-L812 HydrophobicContact CE1-CD2 4.45Å; F334-L812 HydrophobicContact CE2-CD1 3.85Å; F334-L812 HydrophobicContact CE2-CD2 3.51Å; F334-L812 HydrophobicContact CE2-CG 4.31Å; F334-L812 HydrophobicContact CZ-CD1 3.38Å; F334-L812 HydrophobicContact CZ-CD2 3.71Å; F334-L812 HydrophobicContact CZ-CG 4.19Å; F334-L827 HydrophobicContact CB-CD1 3.74Å; F334-L827 HydrophobicContact CG-CD1 4.22Å
335	V	96.2	Very high	94.8	Very high	3 Å²	3	8.9 Å²	8.9	2%	0.018	5%	0.047	C	C	.	.	H	α-helix	trans	-54.8	-45.1	170.2	177.1	0	0	0	0	110.6	G331 V332 H339 F386 F402 I410 Y759	G331-V335 PolarHBondContact O-N 3.19Å; G331-V335 VanDerWaalsContact O-N 3.13Å; V332-V335 PolarHBondContact O-N 3.24Å; V335-H339 PolarHBondContact O-N 3.05Å; V335-F386 HydrophobicContact CG1-CE2 3.74Å; V335-F386 HydrophobicContact CG1-CZ 3.8Å; V335-F402 HydrophobicContact CG2-CE1 4.31Å; V335-F402 HydrophobicContact CG2-CZ 3.91Å; V335-I410 HydrophobicContact CG1-CD1 4.41Å; V335-Y759 HydrophobicContact CB-CD2 4.11Å; V335-Y759 HydrophobicContact CB-CE2 4.28Å; V335-Y759 HydrophobicContact CG1-CD2 3.69Å; V335-Y759 HydrophobicContact CG1-CE2 4.03Å; V335-Y759 HydrophobicContact CG2-CD2 3.93Å; V335-Y759 HydrophobicContact CG2-CE2 4.44Å; V335-Y759 HydrophobicContact CG2-CG 4Å
336	M	97.2	Very high	94.9	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-67.1	-38.4	178	-69.1	-48.5	96.2	0	0	112.6	I307 V332 P333 F334 G340 A409 I410	I307-M336 HydrophobicContact CG2-CB 3.74Å; V332-M336 HydrophobicContact CG1-CG 4.35Å; V332-M336 WeakPolarHBondContact O-CG 3.11Å; V332-M336 PolarHBondContact O-N 3.11Å; P333-M336 PolarHBondContact O-N 3.22Å; F334-M336 PolarHBondContact O-N 2.76Å; M336-G340 WeakPolarHBondContact O-CA 3.47Å; M336-G340 PolarHBondContact O-N 2.88Å; M336-A409 HydrophobicContact CE-CB 4.09Å; M336-A409 HydrophobicContact CG-CB 4Å; M336-A409 HydrophobicContact SD-CB 3.32Å; M336-A409 WeakPolarHBondContact SD-CB 3.28Å; M336-I410 HydrophobicContact CE-CD1 3.79Å; M336-I410 HydrophobicContact CE-CG1 3.3Å; M336-I410 HydrophobicContact SD-CG1 3.88Å
337	L	97	Very high	95.1	Very high	17 Å²	17	6.9 Å²	6.9	9%	0.089	4%	0.039	C	C	.	.	H	α-helix	trans	-59.2	-49.8	177	-170.5	80.3	0	0	0	110.7	V279 L304 P333 F334 L341 Y805	V279-L337 HydrophobicContact CG1-CD1 3.65Å; V279-L337 HydrophobicContact CG2-CD2 4.24Å; L304-L337 HydrophobicContact CD2-CD1 3.82Å; P333-L337 VanDerWaalsContact O-CB 3.29Å; P333-L337 WeakPolarHBondContact O-CB 3.47Å; P333-L337 PolarHBondContact O-N 3.09Å; F334-L337 WeakPolarHBondContact O-CB 3.48Å; F334-L337 PolarHBondContact O-N 3.37Å; F334-L337 VanDerWaalsContact O-N 3.14Å; L337-L341 HydrophobicContact CD1-CD1 3.85Å; L337-L341 HydrophobicContact CD1-CG 4.15Å; L337-L341 HydrophobicContact CD2-CD1 4.26Å; L337-L341 HydrophobicContact CG-CD1 3.65Å; L337-L341 HydrophobicContact CG-CG 4.18Å; L337-L341 WeakPolarHBondContact O-CB 3.05Å; L337-L341 WeakPolarHBondContact O-CG 3.49Å; L337-L341 PolarHBondContact O-N 3.41Å; L337-Y805 HydrophobicContact CB-CD2 4.33Å; L337-Y805 HydrophobicContact CB-CE2 4.37Å; L337-Y805 HydrophobicContact CD2-CD2 3.77Å; L337-Y805 HydrophobicContact CD2-CE2 4.32Å; L337-Y805 HydrophobicContact CG-CD2 4.19Å
338	G	95	Very high	95.2	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-63.4	-53.1	-177.7	0	0	0	0	0	112.8	F334 Y342 Y759	F334-G338 PolarHBondContact O-N 3.42Å; G338-Y342 PolarHBondContact O-N 2.72Å; G338-Y759 WeakPolarHBondContact CA-OH 3.05Å
339	H	96	Very high	95.2	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-63.3	-44.8	179.7	172.9	63.8	0	0	0	112.3	V335 G343 F375 T379 Y382 N413 D766	V335-H339 PolarHBondContact O-N 3.05Å; H339-G343 PolarHBondContact O-N 3.37Å; H339-F375 AromaticContact CE1-CE2 3.32Å; H339-F375 WeakPolarHBondContact CE1-CE2 3.1Å; H339-F375 AromaticContact CE1-CZ 3.59Å; H339-F375 AromaticContact ND1-CE2 3.93Å; H339-F375 AromaticContact NE2-CE2 3.74Å; H339-F375 AromaticContact NE2-CZ 3.53Å; H339-T379 PolarHBondContact CE1-OG1 3.16Å; H339-T379 VanDerWaalsContact CE1-OG1 3.31Å; H339-Y382 HydrophobicContact CB-CE1 4.39Å; H339-Y382 HydrophobicContact CB-CE2 4.31Å; H339-Y382 AromaticContact ND1-CD2 3.77Å; H339-Y382 AromaticContact ND1-CE2 3.52Å; H339-N413 PolarHBondContact CD2-ND2 2.67Å; H339-N413 PolarHBondContact NE2-ND2 3.45Å; H339-D766 IonicContact ND1-OD2 2.83Å
340	G	96.6	Very high	95.1	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-72.2	-38.9	-176.7	0	0	0	0	0	114.3	M336 Y342 G343 T344	M336-G340 WeakPolarHBondContact O-CA 3.47Å; M336-G340 PolarHBondContact O-N 2.88Å; G340-Y342 VanDerWaalsContact C-N 3.35Å; G340-G343 PolarHBondContact O-N 2.65Å; G340-T344 WeakPolarHBondContact O-CG2 3.43Å; G340-T344 PolarHBondContact O-N 3.35Å; G340-T344 VanDerWaalsContact O-N 3.09Å; G340-T344 PolarHBondContact O-OG1 2.92Å
341	L	95.4	Very high	95.1	Very high	2 Å²	2	5.2 Å²	5.2	1%	0.01	3%	0.032	C	C	.	.	H	α-helix	trans	-64.9	-40.7	175.6	-74	180	0	0	0	111.5	L304 I307 L337 G343 T344 F345 C804	L304-L341 HydrophobicContact CD2-CD2 3.8Å; I307-L341 HydrophobicContact CD1-CD2 4.24Å; I307-L341 HydrophobicContact CD1-CG 4.22Å; L337-L341 HydrophobicContact CD1-CD1 3.85Å; L337-L341 HydrophobicContact CD1-CG 4.15Å; L337-L341 HydrophobicContact CD2-CD1 4.26Å; L337-L341 HydrophobicContact CG-CD1 3.65Å; L337-L341 HydrophobicContact CG-CG 4.18Å; L337-L341 WeakPolarHBondContact O-CB 3.05Å; L337-L341 WeakPolarHBondContact O-CG 3.49Å; L337-L341 PolarHBondContact O-N 3.41Å; L341-G343 PolarHBondContact O-N 3.36Å; L341-T344 WeakPolarHBondContact CA-OG1 3.47Å; L341-T344 PolarHBondContact O-N 3.42Å; L341-T344 PolarHBondContact O-OG1 3.46Å; L341-T344 VanDerWaalsContact O-OG1 3.14Å; L341-F345 HydrophobicContact CB-CD2 4.11Å; L341-F345 HydrophobicContact CB-CE2 4.05Å; L341-F345 HydrophobicContact CD1-CE2 4.5Å; L341-F345 HydrophobicContact CD2-CD2 4.5Å; L341-F345 HydrophobicContact CD2-CE2 3.78Å; L341-F345 HydrophobicContact CD2-CZ 4.18Å; L341-F345 HydrophobicContact CG-CE2 4.34Å; L341-F345 WeakPolarHBondContact O-CB 3.47Å; L341-F345 WeakPolarHBondContact O-CD2 3.35Å; L341-F345 WeakPolarHBondContact O-CG 3.49Å; L341-F345 PolarHBondContact O-N 2.7Å; L341-C804 HydrophobicContact CD1-CB 3.49Å; L341-C804 VanDerWaalsContact CD1-CB 3.49Å
342	Y	94.1	Very high	94.9	Very high	1 Å²	1	6.5 Å²	6.5	0%	0.004	4%	0.036	C	C	.	.	H	α-helix	trans	-56.2	-53.4	175.1	169.4	-107.6	0	0	0	111.3	G338 G340 T344 F345 E346 F375 D766 P770 S801	G338-Y342 PolarHBondContact O-N 2.72Å; G340-Y342 VanDerWaalsContact C-N 3.35Å; Y342-T344 PolarHBondContact O-N 3.34Å; Y342-F345 PolarHBondContact O-N 3.18Å; Y342-E346 HydrophobicContact CE2-CB 4.37Å; Y342-E346 VanDerWaalsContact O-CB 3.26Å; Y342-E346 WeakPolarHBondContact O-CB 3.46Å; Y342-E346 PolarHBondContact O-N 3.06Å; Y342-F375 HydrophobicContact CD1-CD2 4.07Å; Y342-F375 HydrophobicContact CD1-CE2 4.42Å; Y342-F375 HydrophobicContact CE1-CD2 4.12Å; Y342-D766 HydrophobicContact CD1-CB 4.07Å; Y342-D766 HydrophobicContact CE1-CB 4.46Å; Y342-D766 WeakPolarHBondContact CE2-O 3.29Å; Y342-D766 HydrophobicContact CG-CB 4.25Å; Y342-P770 WeakPolarHBondContact OH-CG 3.21Å; Y342-S801 PolarHBondContact N-OG 2.96Å
343	G	94.7	Very high	94.4	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.01	5%	0.05	C	C	.	.	H	α-helix	trans	-60.8	-43.5	-178.9	0	0	0	0	0	113.7	H339 G340 L341 M347 F375	H339-G343 PolarHBondContact O-N 3.37Å; G340-G343 PolarHBondContact O-N 2.65Å; L341-G343 PolarHBondContact O-N 3.36Å; G343-M347 WeakPolarHBondContact O-CG 3.04Å; G343-M347 PolarHBondContact O-N 3.25Å; G343-F375 VanDerWaalsContact CA-CE2 3.47Å
344	T	97	Very high	94.2	Very high	2 Å²	2	7.7 Å²	7.7	1%	0.012	4%	0.037	C	C	.	.	H	α-helix	trans	-70.1	-41.6	-178.4	52.7	0	0	0	0	112.6	G340 L341 Y342 L348 V417 Y421	G340-T344 WeakPolarHBondContact O-CG2 3.43Å; G340-T344 PolarHBondContact O-N 3.35Å; G340-T344 VanDerWaalsContact O-N 3.09Å; G340-T344 PolarHBondContact O-OG1 2.92Å; L341-T344 WeakPolarHBondContact CA-OG1 3.47Å; L341-T344 PolarHBondContact O-N 3.42Å; L341-T344 PolarHBondContact O-OG1 3.46Å; L341-T344 VanDerWaalsContact O-OG1 3.14Å; Y342-T344 PolarHBondContact O-N 3.34Å; T344-L348 PolarHBondContact O-N 3.16Å; T344-V417 HydrophobicContact CG2-CG2 4.13Å; T344-Y421 HydrophobicContact CG2-CD1 3.95Å; T344-Y421 HydrophobicContact CG2-CD2 3.82Å; T344-Y421 HydrophobicContact CG2-CE1 4.07Å; T344-Y421 HydrophobicContact CG2-CE2 3.95Å; T344-Y421 HydrophobicContact CG2-CG 3.81Å; T344-Y421 VanDerWaalsContact O-CE1 3.26Å; T344-Y421 WeakPolarHBondContact O-CE1 3.41Å; T344-Y421 PolarHBondContact O-OH 3.08Å
345	F	95.8	Very high	93.7	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.009	6%	0.063	C	C	.	.	H	α-helix	trans	-72.1	-33.9	176	-70.1	-47.4	0	0	0	112.8	A283 C286 L341 Y342 L348 S349 A797 Q800 C804	A283-F345 HydrophobicContact CB-CZ 4.43Å; C286-F345 HydrophobicContact CB-CE1 4.21Å; C286-F345 HydrophobicContact CB-CZ 4.19Å; L341-F345 HydrophobicContact CB-CD2 4.11Å; L341-F345 HydrophobicContact CB-CE2 4.05Å; L341-F345 HydrophobicContact CD1-CE2 4.5Å; L341-F345 HydrophobicContact CD2-CD2 4.5Å; L341-F345 HydrophobicContact CD2-CE2 3.78Å; L341-F345 HydrophobicContact CD2-CZ 4.18Å; L341-F345 HydrophobicContact CG-CE2 4.34Å; L341-F345 WeakPolarHBondContact O-CB 3.47Å; L341-F345 WeakPolarHBondContact O-CD2 3.35Å; L341-F345 WeakPolarHBondContact O-CG 3.49Å; L341-F345 PolarHBondContact O-N 2.7Å; Y342-F345 PolarHBondContact O-N 3.18Å; F345-L348 PolarHBondContact O-N 3.48Å; F345-S349 WeakPolarHBondContact O-CB 3Å; F345-S349 PolarHBondContact O-N 2.97Å; F345-A797 HydrophobicContact CB-CB 4.11Å; F345-Q800 HydrophobicContact CB-CB 4.44Å; F345-Q800 HydrophobicContact CD1-CB 4.13Å; F345-Q800 HydrophobicContact CD2-CB 3.76Å; F345-Q800 HydrophobicContact CE1-CB 4.3Å; F345-Q800 HydrophobicContact CE2-CB 3.93Å; F345-Q800 HydrophobicContact CG-CB 3.87Å; F345-Q800 HydrophobicContact CZ-CB 4.21Å; F345-C804 HydrophobicContact CE2-CB 4.4Å
346	E	93.6	Very high	92.9	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.009	8%	0.077	C	C	.	.	H	α-helix	trans	-64.1	-43.5	176.3	-175.4	64.3	-168.7	0	0	111.3	Y342 L348 S349 S350 S371 H794 A797	Y342-E346 HydrophobicContact CE2-CB 4.37Å; Y342-E346 VanDerWaalsContact O-CB 3.26Å; Y342-E346 WeakPolarHBondContact O-CB 3.46Å; Y342-E346 PolarHBondContact O-N 3.06Å; E346-L348 VanDerWaalsContact C-N 3.34Å; E346-L348 PolarHBondContact O-N 3.48Å; E346-S349 WeakPolarHBondContact O-CB 3.49Å; E346-S349 PolarHBondContact O-N 2.7Å; E346-S350 PolarHBondContact O-N 3.43Å; E346-S371 PolarHBondContact O-OG 2.7Å; E346-H794 IonicContact OE1-CE1 2.69Å; E346-H794 PolarHBondContact OE1-CE1 2.84Å; E346-H794 VanDerWaalsContact OE1-CE1 3.3Å; E346-H794 IonicContact OE1-ND1 3.49Å; E346-H794 PolarHBondContact OE1-ND1 3.01Å; E346-H794 IonicContact OE2-ND1 3.52Å; E346-A797 HydrophobicContact CB-CB 4.36Å; E346-A797 VanDerWaalsContact OE2-CB 3.29Å; E346-A797 WeakPolarHBondContact OE2-CB 3.48Å
347	M	95.9	Very high	92.2	Very high	2 Å²	2	23 Å²	23	1%	0.01	11%	0.105	C	C	.	.	H	α-helix	trans	-62.4	-39.7	173.5	-74.7	-176	74.2	0	0	112.3	G343 S350 W351 V367 Y368 M372 V417 Y421 L425	G343-M347 WeakPolarHBondContact O-CG 3.04Å; G343-M347 PolarHBondContact O-N 3.25Å; M347-S350 PolarHBondContact O-N 3.08Å; M347-W351 PolarHBondContact O-N 3.3Å; M347-V367 HydrophobicContact CB-CG1 4.06Å; M347-V367 HydrophobicContact CE-CG1 4.16Å; M347-V367 HydrophobicContact CG-CG1 4.27Å; M347-V367 WeakPolarHBondContact O-CG1 3.25Å; M347-Y368 HydrophobicContact CE-CD2 4.07Å; M347-Y368 HydrophobicContact CE-CE2 3.54Å; M347-M372 HydrophobicContact CG-SD 4.45Å; M347-M372 HydrophobicContact SD-SD 3.86Å; M347-V417 HydrophobicContact SD-CG1 3.63Å; M347-Y421 HydrophobicContact CB-CE1 4.01Å; M347-Y421 HydrophobicContact SD-CD1 3.95Å; M347-Y421 HydrophobicContact SD-CE1 4.36Å; M347-L425 HydrophobicContact CE-CD2 4.27Å
348	L	94.1	Very high	91.7	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-67	-41.5	176.3	177.5	57.7	0	0	0	111.9	C287 K296 L299 T344 F345 E346 S350 W351 R352	C287-L348 HydrophobicContact CB-CD2 4.17Å; C287-L348 WeakPolarHBondContact SG-CD2 3.42Å; K296-L348 HydrophobicContact CD-CD1 4.02Å; L299-L348 HydrophobicContact CD1-CD1 3.76Å; T344-L348 PolarHBondContact O-N 3.16Å; F345-L348 PolarHBondContact O-N 3.48Å; E346-L348 VanDerWaalsContact C-N 3.34Å; E346-L348 PolarHBondContact O-N 3.48Å; L348-S350 VanDerWaalsContact C-N 3.33Å; L348-W351 WeakPolarHBondContact O-CB 3.45Å; L348-W351 PolarHBondContact O-N 3.02Å; L348-R352 HydrophobicContact CD1-CG 4.23Å; L348-R352 WeakPolarHBondContact O-CG 3.37Å; L348-R352 PolarHBondContact O-N 3.3Å
349	S	92	Very high	91.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.5	-46.8	174.2	177	0	0	0	0	110.5	F345 E346 R352 K353	F345-S349 WeakPolarHBondContact O-CB 3Å; F345-S349 PolarHBondContact O-N 2.97Å; E346-S349 WeakPolarHBondContact O-CB 3.49Å; E346-S349 PolarHBondContact O-N 2.7Å; S349-R352 PolarHBondContact O-N 3.46Å; S349-K353 VanDerWaalsContact C-CE 3.43Å; S349-K353 WeakPolarHBondContact O-CE 3.44Å; S349-K353 PolarHBondContact O-N 2.92Å; S349-K353 WeakPolarHBondContact OG-CE 3.43Å; S349-K353 PolarHBondContact OG-NZ 3.49Å
350	S	92.3	Very high	91.6	Very high	4 Å²	4	29.1 Å²	29.1	3%	0.028	13%	0.133	C	C	.	.	H	α-helix	trans	-62.7	-42.2	175.4	-168.9	0	0	0	0	112.6	E346 M347 L348 R352 K353 T354 D370 S371	E346-S350 PolarHBondContact O-N 3.43Å; M347-S350 PolarHBondContact O-N 3.08Å; L348-S350 VanDerWaalsContact C-N 3.33Å; S350-R352 VanDerWaalsContact C-N 3.32Å; S350-R352 PolarHBondContact O-N 3.24Å; S350-K353 WeakPolarHBondContact O-CB 3.2Å; S350-K353 PolarHBondContact O-N 3.38Å; S350-K353 VanDerWaalsContact O-N 3.08Å; S350-T354 PolarHBondContact O-N 2.98Å; S350-D370 WeakPolarHBondContact CB-OD2 3.42Å; S350-D370 WeakPolarHBondContact OG-CB 3.25Å; S350-D370 PolarHBondContact OG-OD2 2.92Å; S350-S371 WeakPolarHBondContact CB-OG 3.44Å
351	W	93.3	Very high	91.6	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	14%	0.144	C	C	.	.	H	α-helix	trans	-56.2	-46.9	175.6	178.3	-87.5	0	0	0	112.1	K296 M347 L348 K353 T354 V360 R363 V367 L425 E432	K296-W351 VanDerWaalsContact CE-NE1 3.33Å; M347-W351 PolarHBondContact O-N 3.3Å; L348-W351 WeakPolarHBondContact O-CB 3.45Å; L348-W351 PolarHBondContact O-N 3.02Å; W351-K353 PolarHBondContact O-N 2.63Å; W351-T354 WeakPolarHBondContact O-CB 3.49Å; W351-T354 PolarHBondContact O-N 3.14Å; W351-T354 PolarHBondContact O-OG1 3.3Å; W351-V360 HydrophobicContact CH2-CG1 4.1Å; W351-R363 HydrophobicContact CE3-CB 4.3Å; W351-R363 HydrophobicContact CH2-CB 3.74Å; W351-R363 HydrophobicContact CZ2-CB 4.45Å; W351-R363 HydrophobicContact CZ3-CB 3.67Å; W351-V367 HydrophobicContact CB-CG2 3.89Å; W351-V367 HydrophobicContact CE3-CG2 3.99Å; W351-L425 HydrophobicContact CB-CD1 3.95Å; W351-L425 HydrophobicContact CB-CD2 4.33Å; W351-L425 HydrophobicContact CD2-CD1 3.9Å; W351-L425 HydrophobicContact CD2-CD2 4.36Å; W351-L425 HydrophobicContact CD2-CG 4.04Å; W351-L425 HydrophobicContact CE3-CD1 4.06Å; W351-L425 HydrophobicContact CE3-CD2 3.75Å; W351-L425 HydrophobicContact CE3-CG 3.66Å; W351-L425 HydrophobicContact CG-CD1 3.84Å; W351-L425 HydrophobicContact CG-CG 4.42Å; W351-L425 HydrophobicContact CZ3-CG 4.25Å; W351-E432 PolarHBondContact NE1-OE2 2.72Å
352	R	89.7	Confident	91.6	Very high	29 Å²	29	36.9 Å²	36.9	11%	0.109	17%	0.168	C	C	.	.	H	α-helix	trans	-68.1	-16.9	-178.7	-69.2	172.2	171.7	177.9	-8.5	113.5	C287 L348 S349 S350 Y478 H481	C287-R352 PolarHBondContact O-NH2 3.29Å; L348-R352 HydrophobicContact CD1-CG 4.23Å; L348-R352 WeakPolarHBondContact O-CG 3.37Å; L348-R352 PolarHBondContact O-N 3.3Å; S349-R352 PolarHBondContact O-N 3.46Å; S350-R352 VanDerWaalsContact C-N 3.32Å; S350-R352 PolarHBondContact O-N 3.24Å; R352-Y478 HydrophobicContact CB-CD2 3.51Å; R352-Y478 HydrophobicContact CB-CE2 3.43Å; R352-Y478 VanDerWaalsContact CB-CE2 3.43Å; R352-Y478 HydrophobicContact CG-CE2 4.47Å; R352-Y478 WeakPolarHBondContact O-CD2 3.26Å; R352-H481 PolarHBondContact NH1-CD2 2.75Å; R352-H481 PolarHBondContact NH1-NE2 3.06Å
353	K	86.9	Confident	91.7	Very high	69 Å²	69	37 Å²	37	30%	0.3	17%	0.168	S	C	.	.	H	α-helix	trans	-86.3	-12.5	172.5	-75	173.9	-90.2	171.2	0	113.3	S349 S350 W351 Y478 V793	S349-K353 VanDerWaalsContact C-CE 3.43Å; S349-K353 WeakPolarHBondContact O-CE 3.44Å; S349-K353 PolarHBondContact O-N 2.92Å; S349-K353 WeakPolarHBondContact OG-CE 3.43Å; S349-K353 PolarHBondContact OG-NZ 3.49Å; S350-K353 WeakPolarHBondContact O-CB 3.2Å; S350-K353 PolarHBondContact O-N 3.38Å; S350-K353 VanDerWaalsContact O-N 3.08Å; W351-K353 PolarHBondContact O-N 2.63Å; K353-Y478 HydrophobicContact CG-CD1 4.27Å; K353-Y478 HydrophobicContact CG-CE1 3.93Å; K353-Y478 HydrophobicContact CG-CE2 4.43Å; K353-V793 PolarHBondContact NZ-O 3.09Å
354	T	90.3	Very high	91.8	Very high	20 Å²	20	37 Å²	37	12%	0.123	17%	0.168	C	C	.	.	S	Bend	trans	-73.5	154	176.2	64.5	0	0	0	0	111.6	S350 W351 R363 A366 V367	S350-T354 PolarHBondContact O-N 2.98Å; W351-T354 WeakPolarHBondContact O-CB 3.49Å; W351-T354 PolarHBondContact O-N 3.14Å; W351-T354 PolarHBondContact O-OG1 3.3Å; T354-R363 HydrophobicContact CG2-CB 4.46Å; T354-R363 PolarHBondContact OG1-NE 3.45Å; T354-R363 PolarHBondContact OG1-NH2 3.21Å; T354-A366 HydrophobicContact CG2-CB 4.15Å; T354-V367 HydrophobicContact CG2-CG2 4.05Å
355	R	85.1	Confident	91.8	Very high	155 Å²	155	37.2 Å²	37.2	59%	0.585	17%	0.171	S	C	*	.			trans	-75.6	135.7	176.2	-59.1	169.8	46	163.5	1.2	110.9	D357 Q358 R363	R355-D357 VanDerWaalsContact C-N 3.29Å; R355-D357 WeakPolarHBondContact CB-OD1 3.16Å; R355-D357 IonicContact CZ-OD1 2.71Å; R355-D357 IonicContact CZ-OD2 3.75Å; R355-D357 IonicContact NE-OD1 2.64Å; R355-D357 PolarHBondContact NE-OD1 3.36Å; R355-D357 IonicContact NE-OD2 2.91Å; R355-D357 IonicContact NH2-OD1 2.59Å; R355-D357 PolarHBondContact NH2-OD1 3.41Å; R355-D357 IonicContact NH2-OD2 3.4Å; R355-D357 PolarHBondContact NH2-OD2 3Å; R355-D357 PolarHBondContact O-N 3.01Å; R355-Q358 HydrophobicContact CB-CG 4.32Å; R355-Q358 PolarHBondContact O-N 3.36Å; R355-R363 WeakPolarHBondContact O-CD 3.33Å
356	E	80	Confident	91.8	Very high	67 Å²	67	39 Å²	39	31%	0.313	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-20.3	-174.2	-64.2	180	177.4	0	0	113.7	R294 Q358	R294-E356 WeakPolarHBondContact CD-OE1 3.4Å; R294-E356 IonicContact CZ-OE1 3.56Å; R294-E356 IonicContact CZ-OE2 2.7Å; R294-E356 IonicContact NE-OE1 2.66Å; R294-E356 PolarHBondContact NE-OE1 3.44Å; R294-E356 IonicContact NE-OE2 3.45Å; R294-E356 PolarHBondContact NE-OE2 3.2Å; R294-E356 IonicContact NH2-OE1 3.61Å; R294-E356 PolarHBondContact NH2-OE1 2.9Å; R294-E356 IonicContact NH2-OE2 3.72Å; R294-E356 PolarHBondContact NH2-OE2 3.43Å; E356-Q358 VanDerWaalsContact C-N 3.25Å; E356-Q358 PolarHBondContact O-N 2.69Å
357	D	81.1	Confident	91.9	Very high	109 Å²	109	39 Å²	39	58%	0.583	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-13.8	177.3	66.8	-51.5	0	0	0	113.5	R355	R355-D357 VanDerWaalsContact C-N 3.29Å; R355-D357 WeakPolarHBondContact CB-OD1 3.16Å; R355-D357 IonicContact CZ-OD1 2.71Å; R355-D357 IonicContact CZ-OD2 3.75Å; R355-D357 IonicContact NE-OD1 2.64Å; R355-D357 PolarHBondContact NE-OD1 3.36Å; R355-D357 IonicContact NE-OD2 2.91Å; R355-D357 IonicContact NH2-OD1 2.59Å; R355-D357 PolarHBondContact NH2-OD1 3.41Å; R355-D357 IonicContact NH2-OD2 3.4Å; R355-D357 PolarHBondContact NH2-OD2 3Å; R355-D357 PolarHBondContact O-N 3.01Å
358	Q	88	Confident	92	Very high	58 Å²	58	38.9 Å²	38.9	27%	0.271	19%	0.185	S	C	.	.	S	Bend	trans	-78.3	144.6	178	-68.8	178.9	-9.7	0	0	111.7	R355 E356 R363	R355-Q358 HydrophobicContact CB-CG 4.32Å; R355-Q358 PolarHBondContact O-N 3.36Å; E356-Q358 VanDerWaalsContact C-N 3.25Å; E356-Q358 PolarHBondContact O-N 2.69Å; Q358-R363 HydrophobicContact CB-CG 3.67Å; Q358-R363 VanDerWaalsContact O-CD 3.23Å; Q358-R363 WeakPolarHBondContact O-CD 3.33Å
359	H	92.8	Very high	92	Very high	88 Å²	88	39.4 Å²	39.4	41%	0.407	19%	0.189	S	C	.	.			trans	-61.5	143.9	175.8	-174.7	-98.2	0	0	0	111.2	K361 E362 R363	H359-K361 PolarHBondContact ND1-N 2.98Å; H359-K361 PolarHBondContact O-N 2.95Å; H359-E362 WeakPolarHBondContact O-CA 3.23Å; H359-E362 WeakPolarHBondContact O-CB 3.45Å; H359-E362 PolarHBondContact O-N 3.38Å; H359-R363 PolarHBondContact O-N 3.42Å
360	V	95	Very high	91.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-49.5	-39.2	-176.1	175.2	0	0	0	0	113.1	W351 E362 R363 T364 V426 Y430 N433	W351-V360 HydrophobicContact CH2-CG1 4.1Å; V360-E362 PolarHBondContact O-N 3.11Å; V360-R363 PolarHBondContact O-N 3.42Å; V360-T364 WeakPolarHBondContact O-CB 3.42Å; V360-T364 PolarHBondContact O-N 3.45Å; V360-T364 PolarHBondContact O-OG1 3.11Å; V360-V426 HydrophobicContact CG1-CG1 4.07Å; V360-Y430 HydrophobicContact CB-CD1 4.32Å; V360-Y430 HydrophobicContact CB-CE1 4.04Å; V360-Y430 HydrophobicContact CB-CE2 4.25Å; V360-Y430 HydrophobicContact CG1-CD2 3.94Å; V360-Y430 HydrophobicContact CG1-CE1 4.48Å; V360-Y430 HydrophobicContact CG1-CE2 3.84Å; V360-Y430 HydrophobicContact CG1-CG 4.31Å; V360-Y430 HydrophobicContact CG2-CD1 3.81Å; V360-Y430 HydrophobicContact CG2-CE1 3.96Å; V360-Y430 HydrophobicContact CG2-CG 4.12Å; V360-N433 HydrophobicContact CG2-CB 3.87Å
361	K	96.1	Very high	91.9	Very high	56 Å²	56	42.1 Å²	42.1	24%	0.243	20%	0.204	C	C	.	.	H	α-helix	trans	-64.4	-37.3	177.7	-65.4	-177.9	178.5	-163.3	0	113.3	A22 S23 H359 A365	A22-K361 HydrophobicContact CB-CB 4.13Å; A22-K361 HydrophobicContact CB-CG 3.85Å; S23-K361 PolarHBondContact OG-NZ 3.46Å; H359-K361 PolarHBondContact ND1-N 2.98Å; H359-K361 PolarHBondContact O-N 2.95Å; K361-A365 WeakPolarHBondContact O-CB 3.36Å; K361-A365 PolarHBondContact O-N 3.38Å
362	E	96.1	Very high	91.8	Very high	109 Å²	109	42.1 Å²	42.1	51%	0.509	20%	0.204	S	C	.	.	H	α-helix	trans	-74.9	-41.8	178.5	-63.8	179.2	176.2	0	0	110.9	H359 V360 T364 A365 A366	H359-E362 WeakPolarHBondContact O-CA 3.23Å; H359-E362 WeakPolarHBondContact O-CB 3.45Å; H359-E362 PolarHBondContact O-N 3.38Å; V360-E362 PolarHBondContact O-N 3.11Å; E362-T364 VanDerWaalsContact C-N 3.31Å; E362-T364 PolarHBondContact O-N 3.27Å; E362-A365 WeakPolarHBondContact O-CB 3.5Å; E362-A365 PolarHBondContact O-N 2.99Å; E362-A366 PolarHBondContact O-N 3.1Å
363	R	95.4	Very high	91.8	Very high	3 Å²	3	41.9 Å²	41.9	1%	0.011	20%	0.204	C	C	.	.	H	α-helix	trans	-57.4	-45.6	172.4	-64.9	-179.8	66.7	-176	2.2	111.1	W351 T354 R355 Q358 H359 V360 A365 A366 V367 E432	W351-R363 HydrophobicContact CE3-CB 4.3Å; W351-R363 HydrophobicContact CH2-CB 3.74Å; W351-R363 HydrophobicContact CZ2-CB 4.45Å; W351-R363 HydrophobicContact CZ3-CB 3.67Å; T354-R363 HydrophobicContact CG2-CB 4.46Å; T354-R363 PolarHBondContact OG1-NE 3.45Å; T354-R363 PolarHBondContact OG1-NH2 3.21Å; R355-R363 WeakPolarHBondContact O-CD 3.33Å; Q358-R363 HydrophobicContact CB-CG 3.67Å; Q358-R363 VanDerWaalsContact O-CD 3.23Å; Q358-R363 WeakPolarHBondContact O-CD 3.33Å; H359-R363 PolarHBondContact O-N 3.42Å; V360-R363 PolarHBondContact O-N 3.42Å; R363-A365 PolarHBondContact O-N 3.25Å; R363-A366 WeakPolarHBondContact O-CB 3.33Å; R363-A366 PolarHBondContact O-N 3.09Å; R363-V367 WeakPolarHBondContact O-CG2 3.15Å; R363-V367 PolarHBondContact O-N 2.93Å; R363-E432 IonicContact CZ-OE1 3.91Å; R363-E432 VanDerWaalsContact CZ-OE1 3.29Å; R363-E432 IonicContact NH1-OE1 3.6Å; R363-E432 PolarHBondContact NH1-OE1 2.81Å; R363-E432 IonicContact NH2-OE1 2.85Å; R363-E432 PolarHBondContact NH2-OE1 3.14Å; R363-E432 IonicContact NH2-OE2 2.87Å
364	T	96.8	Very high	91.7	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.2	-44.3	176.5	-51.2	0	0	0	0	111.5	A22 V360 E362 A366 V367 Y368 V426	A22-T364 HydrophobicContact CB-CG2 4.08Å; V360-T364 WeakPolarHBondContact O-CB 3.42Å; V360-T364 PolarHBondContact O-N 3.45Å; V360-T364 PolarHBondContact O-OG1 3.11Å; E362-T364 VanDerWaalsContact C-N 3.31Å; E362-T364 PolarHBondContact O-N 3.27Å; T364-A366 VanDerWaalsContact C-N 3.28Å; T364-A366 PolarHBondContact O-N 2.56Å; T364-V367 PolarHBondContact O-N 3.12Å; T364-Y368 HydrophobicContact CG2-CD2 3.92Å; T364-Y368 HydrophobicContact CG2-CE2 3.73Å; T364-Y368 VanDerWaalsContact O-CD2 3.24Å; T364-Y368 WeakPolarHBondContact O-CD2 3.37Å; T364-Y368 PolarHBondContact O-N 3.07Å; T364-V426 HydrophobicContact CG2-CG2 3.78Å
365	A	97.2	Very high	91.8	Very high	8 Å²	8	39.1 Å²	39.1	7%	0.066	20%	0.195	C	C	.	.	H	α-helix	trans	-60.3	-37.7	176	0	0	0	0	0	112.4	S15 H19 K361 E362 R363 A369	S15-A365 WeakPolarHBondContact CA-O 3.49Å; S15-A365 VanDerWaalsContact O-CB 3.29Å; S15-A365 WeakPolarHBondContact O-CB 3.07Å; H19-A365 HydrophobicContact CB-CB 4.15Å; K361-A365 WeakPolarHBondContact O-CB 3.36Å; K361-A365 PolarHBondContact O-N 3.38Å; E362-A365 WeakPolarHBondContact O-CB 3.5Å; E362-A365 PolarHBondContact O-N 2.99Å; R363-A365 PolarHBondContact O-N 3.25Å; A365-A369 WeakPolarHBondContact O-CB 3.41Å; A365-A369 PolarHBondContact O-N 3.22Å; A365-A369 VanDerWaalsContact O-N 3.13Å
366	A	95.8	Very high	92.1	Very high	40 Å²	40	32.9 Å²	32.9	33%	0.331	18%	0.175	S	C	.	.	H	α-helix	trans	-66.3	-45.7	175.5	0	0	0	0	0	111.9	T354 E362 R363 T364 Y368 A369 D370	T354-A366 HydrophobicContact CG2-CB 4.15Å; E362-A366 PolarHBondContact O-N 3.1Å; R363-A366 WeakPolarHBondContact O-CB 3.33Å; R363-A366 PolarHBondContact O-N 3.09Å; T364-A366 VanDerWaalsContact C-N 3.28Å; T364-A366 PolarHBondContact O-N 2.56Å; A366-Y368 VanDerWaalsContact C-N 3.35Å; A366-Y368 PolarHBondContact O-N 3.37Å; A366-A369 PolarHBondContact O-N 3.42Å; A366-D370 WeakPolarHBondContact O-CB 3.36Å; A366-D370 PolarHBondContact O-N 3.08Å; A366-D370 VanDerWaalsContact O-N 3.11Å
367	V	96.3	Very high	92.4	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-58.3	-45.5	176.9	170.7	0	0	0	0	111.8	M347 W351 T354 R363 T364 A369 D370 S371 L425	M347-V367 HydrophobicContact CB-CG1 4.06Å; M347-V367 HydrophobicContact CE-CG1 4.16Å; M347-V367 HydrophobicContact CG-CG1 4.27Å; M347-V367 WeakPolarHBondContact O-CG1 3.25Å; W351-V367 HydrophobicContact CB-CG2 3.89Å; W351-V367 HydrophobicContact CE3-CG2 3.99Å; T354-V367 HydrophobicContact CG2-CG2 4.05Å; R363-V367 WeakPolarHBondContact O-CG2 3.15Å; R363-V367 PolarHBondContact O-N 2.93Å; T364-V367 PolarHBondContact O-N 3.12Å; V367-A369 VanDerWaalsContact C-N 3.34Å; V367-A369 PolarHBondContact O-N 3.09Å; V367-D370 PolarHBondContact O-N 3.08Å; V367-S371 PolarHBondContact O-N 3.15Å; V367-L425 HydrophobicContact CB-CD2 4.47Å; V367-L425 HydrophobicContact CG1-CD2 3.93Å; V367-L425 HydrophobicContact CG2-CD2 4.49Å
368	Y	97.3	Very high	92.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.3	-41.4	178.6	-85.6	-117.7	0	0	0	111.8	F14 L17 I21 M347 T364 A366 D370 M372 L418 G422	F14-Y368 WeakPolarHBondContact CB-O 3.37Å; F14-Y368 WeakPolarHBondContact O-CB 3.41Å; L17-Y368 HydrophobicContact CG-CD1 4.47Å; I21-Y368 HydrophobicContact CD1-CE1 3.56Å; I21-Y368 WeakPolarHBondContact CD1-OH 3.39Å; M347-Y368 HydrophobicContact CE-CD2 4.07Å; M347-Y368 HydrophobicContact CE-CE2 3.54Å; T364-Y368 HydrophobicContact CG2-CD2 3.92Å; T364-Y368 HydrophobicContact CG2-CE2 3.73Å; T364-Y368 VanDerWaalsContact O-CD2 3.24Å; T364-Y368 WeakPolarHBondContact O-CD2 3.37Å; T364-Y368 PolarHBondContact O-N 3.07Å; A366-Y368 VanDerWaalsContact C-N 3.35Å; A366-Y368 PolarHBondContact O-N 3.37Å; Y368-D370 PolarHBondContact O-N 2.78Å; Y368-M372 HydrophobicContact CD1-CG 3.81Å; Y368-M372 HydrophobicContact CE1-CG 4.31Å; Y368-M372 HydrophobicContact CG-CG 4.07Å; Y368-M372 WeakPolarHBondContact O-CB 3.34Å; Y368-M372 PolarHBondContact O-N 3.29Å; Y368-L418 HydrophobicContact CE1-CG 4.33Å; Y368-L418 PolarHBondContact OH-O 3.4Å; Y368-G422 WeakPolarHBondContact OH-CA 3.2Å
369	A	93.8	Very high	93.1	Very high	11 Å²	11	25.3 Å²	25.3	9%	0.091	14%	0.138	C	C	.	.	H	α-helix	trans	-67.6	-16.4	178.7	0	0	0	0	0	113.9	R11 A365 A366 V367	R11-A369 WeakPolarHBondContact CG-O 3.42Å; R11-A369 PolarHBondContact NE-O 3.07Å; A365-A369 WeakPolarHBondContact O-CB 3.41Å; A365-A369 PolarHBondContact O-N 3.22Å; A365-A369 VanDerWaalsContact O-N 3.13Å; A366-A369 PolarHBondContact O-N 3.42Å; V367-A369 VanDerWaalsContact C-N 3.34Å; V367-A369 PolarHBondContact O-N 3.09Å
370	D	90.4	Very high	93	Very high	61 Å²	61	23.3 Å²	23.3	33%	0.326	14%	0.136	S	C	.	.	H	α-helix	trans	-100.2	-56.1	-178.7	-169.7	54.5	0	0	0	111.4	S350 A366 V367 Y368	S350-D370 WeakPolarHBondContact CB-OD2 3.42Å; S350-D370 WeakPolarHBondContact OG-CB 3.25Å; S350-D370 PolarHBondContact OG-OD2 2.92Å; A366-D370 WeakPolarHBondContact O-CB 3.36Å; A366-D370 PolarHBondContact O-N 3.08Å; A366-D370 VanDerWaalsContact O-N 3.11Å; V367-D370 PolarHBondContact O-N 3.08Å; Y368-D370 PolarHBondContact O-N 2.78Å
371	S	92.4	Very high	92.8	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.007	14%	0.138	C	C	.	.	H	α-helix	trans	-86.1	-38.7	-172.3	-54.1	0	0	0	0	114.3	E346 S350 V367 L373 S374 F375	E346-S371 PolarHBondContact O-OG 2.7Å; S350-S371 WeakPolarHBondContact CB-OG 3.44Å; V367-S371 PolarHBondContact O-N 3.15Å; S371-L373 VanDerWaalsContact C-N 3.29Å; S371-L373 PolarHBondContact O-N 3.27Å; S371-S374 PolarHBondContact O-N 3.48Å; S371-F375 PolarHBondContact O-N 3.24Å; S371-F375 VanDerWaalsContact O-N 3.08Å
372	M	92.2	Very high	92.7	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-72	-23.2	-168.7	-69	-58.7	-60.3	0	0	113.5	F14 M347 Y368 F375 S376 Y414 V417 L418	F14-M372 HydrophobicContact CD1-CB 3.72Å; F14-M372 HydrophobicContact CE1-CB 3.95Å; F14-M372 HydrophobicContact CG-CB 4.04Å; F14-M372 HydrophobicContact CZ-CB 4.45Å; M347-M372 HydrophobicContact CG-SD 4.45Å; M347-M372 HydrophobicContact SD-SD 3.86Å; Y368-M372 HydrophobicContact CD1-CG 3.81Å; Y368-M372 HydrophobicContact CE1-CG 4.31Å; Y368-M372 HydrophobicContact CG-CG 4.07Å; Y368-M372 WeakPolarHBondContact O-CB 3.34Å; Y368-M372 PolarHBondContact O-N 3.29Å; M372-F375 HydrophobicContact CE-CD1 3.95Å; M372-F375 HydrophobicContact SD-CD1 4.17Å; M372-S376 VanDerWaalsContact O-CB 3.23Å; M372-S376 WeakPolarHBondContact O-CB 3.21Å; M372-S376 PolarHBondContact O-N 3.46Å; M372-S376 PolarHBondContact O-OG 2.99Å; M372-Y414 HydrophobicContact CE-CD2 4.39Å; M372-Y414 HydrophobicContact CE-CE2 3.74Å; M372-V417 HydrophobicContact SD-CG1 4.46Å; M372-L418 HydrophobicContact CE-CB 4.12Å; M372-L418 HydrophobicContact CE-CD1 4.2Å; M372-L418 HydrophobicContact CE-CG 4.45Å
373	L	87.7	Confident	92.7	Very high	24 Å²	24	18.2 Å²	18.2	13%	0.126	12%	0.115	C	C	.	.	H	α-helix	trans	-65.1	-50.9	175.5	179.2	60.4	0	0	0	111.2	H7 L10 R11 F14 S371 S376 L377	H7-L373 VanDerWaalsContact CD2-CD2 3.44Å; H7-L373 WeakPolarHBondContact CD2-CD2 3.39Å; H7-L373 VanDerWaalsContact NE2-CD2 3.31Å; H7-L373 WeakPolarHBondContact NE2-CD2 3.48Å; L10-L373 HydrophobicContact CB-CD1 3.93Å; L10-L373 HydrophobicContact CD1-CD1 3.76Å; L10-L373 HydrophobicContact CG-CD1 4.45Å; R11-L373 HydrophobicContact CG-CD2 4.02Å; F14-L373 HydrophobicContact CD2-CB 4.32Å; F14-L373 HydrophobicContact CE2-CB 4.28Å; F14-L373 HydrophobicContact CE2-CD1 4.15Å; S371-L373 VanDerWaalsContact C-N 3.29Å; S371-L373 PolarHBondContact O-N 3.27Å; L373-S376 PolarHBondContact O-N 3.27Å; L373-L377 PolarHBondContact O-N 3.38Å
374	S	86.7	Confident	92.6	Very high	29 Å²	29	20.6 Å²	20.6	20%	0.203	13%	0.13	C	C	.	.	H	α-helix	trans	-64.2	-46.8	178	-59.3	0	0	0	0	110.8	S371 S376 L377 T378	S371-S374 PolarHBondContact O-N 3.48Å; S374-S376 VanDerWaalsContact C-N 3.33Å; S374-S376 PolarHBondContact O-N 3.19Å; S374-L377 WeakPolarHBondContact O-CB 3.5Å; S374-L377 PolarHBondContact O-N 3.1Å; S374-L377 VanDerWaalsContact O-N 3.13Å; S374-T378 PolarHBondContact O-N 3.16Å
375	F	91.6	Very high	92.3	Very high	3 Å²	3	20.6 Å²	20.6	1%	0.013	13%	0.13	C	C	.	.	H	α-helix	trans	-62.4	-37.1	179.4	-173.9	-119.2	0	0	0	112.9	H339 Y342 G343 S371 M372 L377 T378 T379 Y414 V417	H339-F375 AromaticContact CE1-CE2 3.32Å; H339-F375 WeakPolarHBondContact CE1-CE2 3.1Å; H339-F375 AromaticContact CE1-CZ 3.59Å; H339-F375 AromaticContact ND1-CE2 3.93Å; H339-F375 AromaticContact NE2-CE2 3.74Å; H339-F375 AromaticContact NE2-CZ 3.53Å; Y342-F375 HydrophobicContact CD1-CD2 4.07Å; Y342-F375 HydrophobicContact CD1-CE2 4.42Å; Y342-F375 HydrophobicContact CE1-CD2 4.12Å; G343-F375 VanDerWaalsContact CA-CE2 3.47Å; S371-F375 PolarHBondContact O-N 3.24Å; S371-F375 VanDerWaalsContact O-N 3.08Å; M372-F375 HydrophobicContact CE-CD1 3.95Å; M372-F375 HydrophobicContact SD-CD1 4.17Å; F375-L377 VanDerWaalsContact C-N 3.35Å; F375-T378 PolarHBondContact O-N 2.81Å; F375-T378 PolarHBondContact O-OG1 2.89Å; F375-T379 VanDerWaalsContact O-CB 3.28Å; F375-T379 WeakPolarHBondContact O-CB 3.36Å; F375-T379 PolarHBondContact O-N 3.43Å; F375-T379 PolarHBondContact O-OG1 3.24Å; F375-Y414 AromaticContact CD1-CD2 3.89Å; F375-Y414 HydrophobicContact CD1-CD2 3.89Å; F375-Y414 HydrophobicContact CD1-CE2 4.21Å; F375-Y414 AromaticContact CE1-CD2 3.79Å; F375-Y414 HydrophobicContact CE1-CD2 3.79Å; F375-V417 HydrophobicContact CD1-CG1 4.29Å; F375-V417 HydrophobicContact CE1-CB 3.95Å; F375-V417 HydrophobicContact CE1-CG1 3.8Å; F375-V417 HydrophobicContact CE1-CG2 4.2Å; F375-V417 HydrophobicContact CZ-CB 4.5Å; F375-V417 HydrophobicContact CZ-CG1 4.46Å; F375-V417 HydrophobicContact CZ-CG2 4.25Å
376	S	91.4	Very high	92.3	Very high	24 Å²	24	20.2 Å²	20.2	17%	0.168	13%	0.126	C	C	.	.	H	α-helix	trans	-65.2	-38.8	175	-58.2	0	0	0	0	112	F14 M372 L373 S374 A380 Y414	F14-S376 VanDerWaalsContact CZ-OG 3.31Å; F14-S376 WeakPolarHBondContact CZ-OG 3.17Å; M372-S376 VanDerWaalsContact O-CB 3.23Å; M372-S376 WeakPolarHBondContact O-CB 3.21Å; M372-S376 PolarHBondContact O-N 3.46Å; M372-S376 PolarHBondContact O-OG 2.99Å; L373-S376 PolarHBondContact O-N 3.27Å; S374-S376 VanDerWaalsContact C-N 3.33Å; S374-S376 PolarHBondContact O-N 3.19Å; S376-A380 WeakPolarHBondContact O-CB 3.47Å; S376-A380 PolarHBondContact O-N 3.01Å; S376-Y414 VanDerWaalsContact OG-CE2 3.24Å; S376-Y414 WeakPolarHBondContact OG-CE2 3.41Å; S376-Y414 PolarHBondContact OG-OH 2.87Å
377	L	87	Confident	92.2	Very high	68 Å²	68	19.8 Å²	19.8	36%	0.356	13%	0.126	S	C	.	.	H	α-helix	trans	-66.3	-45.1	178	179.3	62.6	0	0	0	111.2	L373 S374 F375 A380 M381	L373-L377 PolarHBondContact O-N 3.38Å; S374-L377 WeakPolarHBondContact O-CB 3.5Å; S374-L377 PolarHBondContact O-N 3.1Å; S374-L377 VanDerWaalsContact O-N 3.13Å; F375-L377 VanDerWaalsContact C-N 3.35Å; L377-A380 PolarHBondContact O-N 3.09Å; L377-M381 HydrophobicContact CD1-CE 4.24Å; L377-M381 WeakPolarHBondContact O-CG 3.48Å; L377-M381 PolarHBondContact O-N 3.08Å
378	T	89.2	Confident	92	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.018	14%	0.14	C	C	.	.	H	α-helix	trans	-69.1	-40.9	178.8	70.7	0	0	0	0	111.2	S374 F375 A380 M381 Y382 I765 D766	S374-T378 PolarHBondContact O-N 3.16Å; F375-T378 PolarHBondContact O-N 2.81Å; F375-T378 PolarHBondContact O-OG1 2.89Å; T378-A380 VanDerWaalsContact C-N 3.28Å; T378-A380 PolarHBondContact O-N 3.4Å; T378-M381 WeakPolarHBondContact O-CA 3.31Å; T378-M381 VanDerWaalsContact O-CB 3.3Å; T378-M381 WeakPolarHBondContact O-CB 3.36Å; T378-M381 PolarHBondContact O-N 2.69Å; T378-Y382 WeakPolarHBondContact O-CD2 3.41Å; T378-Y382 PolarHBondContact O-N 3.23Å; T378-Y382 VanDerWaalsContact O-N 3.16Å; T378-I765 HydrophobicContact CG2-CG2 4.27Å; T378-D766 WeakPolarHBondContact CB-OD1 3.49Å; T378-D766 PolarHBondContact OG1-OD1 3.02Å
379	T	93.9	Very high	91.6	Very high	4 Å²	4	22.4 Å²	22.4	3%	0.025	14%	0.14	C	C	.	.	H	α-helix	trans	-54.1	-44	171.2	-56.3	0	0	0	0	111.7	H339 F375 M381 Y382 L383 I410 Y414	H339-T379 PolarHBondContact CE1-OG1 3.16Å; H339-T379 VanDerWaalsContact CE1-OG1 3.31Å; F375-T379 VanDerWaalsContact O-CB 3.28Å; F375-T379 WeakPolarHBondContact O-CB 3.36Å; F375-T379 PolarHBondContact O-N 3.43Å; F375-T379 PolarHBondContact O-OG1 3.24Å; T379-M381 VanDerWaalsContact C-N 3.27Å; T379-M381 PolarHBondContact O-N 3.49Å; T379-Y382 WeakPolarHBondContact O-CB 3.26Å; T379-Y382 PolarHBondContact O-N 3.5Å; T379-L383 HydrophobicContact CG2-CD1 4.37Å; T379-L383 HydrophobicContact CG2-CG 4.45Å; T379-L383 WeakPolarHBondContact O-CG 3.25Å; T379-L383 PolarHBondContact O-N 3.49Å; T379-I410 HydrophobicContact CG2-CG2 3.83Å; T379-Y414 HydrophobicContact CG2-CD2 3.96Å; T379-Y414 HydrophobicContact CG2-CG 3.94Å
380	A	91.5	Very high	91.6	Very high	45 Å²	45	23 Å²	23	37%	0.372	15%	0.145	S	C	.	.	H	α-helix	trans	-61.7	-34.8	177.6	0	0	0	0	0	112.6	S376 L377 T378 L383 V384	S376-A380 WeakPolarHBondContact O-CB 3.47Å; S376-A380 PolarHBondContact O-N 3.01Å; L377-A380 PolarHBondContact O-N 3.09Å; T378-A380 VanDerWaalsContact C-N 3.28Å; T378-A380 PolarHBondContact O-N 3.4Å; A380-L383 PolarHBondContact O-N 3.06Å; A380-V384 PolarHBondContact O-N 3.44Å; A380-V384 VanDerWaalsContact O-N 3.16Å
381	M	90.4	Very high	91.6	Very high	8 Å²	8	21 Å²	21	4%	0.039	14%	0.135	C	C	.	.	H	α-helix	trans	-63.2	-44.6	174.1	-64.3	-71.3	169.9	0	0	111.4	L377 T378 T379 L383 V384 T385 L710 L711 N762 I765	L377-M381 HydrophobicContact CD1-CE 4.24Å; L377-M381 WeakPolarHBondContact O-CG 3.48Å; L377-M381 PolarHBondContact O-N 3.08Å; T378-M381 WeakPolarHBondContact O-CA 3.31Å; T378-M381 VanDerWaalsContact O-CB 3.3Å; T378-M381 WeakPolarHBondContact O-CB 3.36Å; T378-M381 PolarHBondContact O-N 2.69Å; T379-M381 VanDerWaalsContact C-N 3.27Å; T379-M381 PolarHBondContact O-N 3.49Å; M381-L383 PolarHBondContact O-N 3.27Å; M381-V384 PolarHBondContact O-N 2.89Å; M381-T385 WeakPolarHBondContact O-CB 3.4Å; M381-T385 WeakPolarHBondContact O-CG2 3.45Å; M381-T385 PolarHBondContact O-N 3.46Å; M381-T385 PolarHBondContact O-OG1 3.01Å; M381-L710 HydrophobicContact CE-CB 3.75Å; M381-L710 HydrophobicContact CE-CD1 4.4Å; M381-L710 HydrophobicContact SD-CB 3.57Å; M381-L710 VanDerWaalsContact SD-CB 3.57Å; M381-L710 HydrophobicContact SD-CD1 3.53Å; M381-L710 VanDerWaalsContact SD-CD1 3.53Å; M381-L710 HydrophobicContact SD-CG 4.25Å; M381-L711 HydrophobicContact CE-CD2 4.14Å; M381-N762 PolarHBondContact O-OD1 3.34Å; M381-I765 HydrophobicContact CG-CG2 4.37Å
382	Y	93.8	Very high	91.4	Very high	1 Å²	1	26.2 Å²	26.2	0%	0.004	17%	0.169	C	C	.	.	H	α-helix	trans	-60	-46.2	174.8	-82	-86.9	0	0	0	112.6	H339 T378 T379 V384 T385 F386 I410 Y759 N762 Y763 D766	H339-Y382 HydrophobicContact CB-CE1 4.39Å; H339-Y382 HydrophobicContact CB-CE2 4.31Å; H339-Y382 AromaticContact ND1-CD2 3.77Å; H339-Y382 AromaticContact ND1-CE2 3.52Å; T378-Y382 WeakPolarHBondContact O-CD2 3.41Å; T378-Y382 PolarHBondContact O-N 3.23Å; T378-Y382 VanDerWaalsContact O-N 3.16Å; T379-Y382 WeakPolarHBondContact O-CB 3.26Å; T379-Y382 PolarHBondContact O-N 3.5Å; Y382-V384 VanDerWaalsContact C-N 3.26Å; Y382-V384 PolarHBondContact O-N 3.47Å; Y382-T385 WeakPolarHBondContact CA-OG1 3.01Å; Y382-T385 PolarHBondContact O-N 2.76Å; Y382-T385 PolarHBondContact O-OG1 3.45Å; Y382-F386 AromaticContact CD1-CD2 3.92Å; Y382-F386 HydrophobicContact CD1-CD2 3.92Å; Y382-F386 AromaticContact CD1-CE2 3.63Å; Y382-F386 HydrophobicContact CD1-CE2 3.63Å; Y382-F386 HydrophobicContact CE1-CE2 4.16Å; Y382-F386 WeakPolarHBondContact O-CB 3.15Å; Y382-F386 PolarHBondContact O-N 3.16Å; Y382-I410 HydrophobicContact CD1-CD1 3.38Å; Y382-I410 HydrophobicContact CE1-CD1 4.15Å; Y382-I410 HydrophobicContact CG-CD1 3.75Å; Y382-I410 HydrophobicContact CG-CG2 4.49Å; Y382-Y759 HydrophobicContact CE1-CD2 4.05Å; Y382-Y759 HydrophobicContact CE1-CE2 4.22Å; Y382-N762 HydrophobicContact CD1-CB 3.47Å; Y382-N762 VanDerWaalsContact CD1-CB 3.47Å; Y382-N762 HydrophobicContact CD2-CB 3.88Å; Y382-N762 HydrophobicContact CE1-CB 3.23Å; Y382-N762 HydrophobicContact CE2-CB 3.6Å; Y382-N762 HydrophobicContact CG-CB 3.83Å; Y382-N762 PolarHBondContact N-OD1 3.49Å; Y382-Y763 PolarHBondContact OH-N 3.48Å; Y382-D766 WeakPolarHBondContact CE2-OD2 3.43Å; Y382-D766 VanDerWaalsContact CZ-OD2 3.27Å; Y382-D766 PolarHBondContact OH-OD2 2.97Å
383	L	95.6	Very high	91	Very high	49 Å²	49	34.1 Å²	34.1	26%	0.257	20%	0.204	S	C	.	.	H	α-helix	trans	-61.6	-35.9	-178.4	-66.8	177.9	0	0	0	112	T379 A380 M381 G387 C407 I410 F411	T379-L383 HydrophobicContact CG2-CD1 4.37Å; T379-L383 HydrophobicContact CG2-CG 4.45Å; T379-L383 WeakPolarHBondContact O-CG 3.25Å; T379-L383 PolarHBondContact O-N 3.49Å; A380-L383 PolarHBondContact O-N 3.06Å; M381-L383 PolarHBondContact O-N 3.27Å; L383-G387 WeakPolarHBondContact O-CA 3.42Å; L383-G387 PolarHBondContact O-N 3.35Å; L383-C407 WeakPolarHBondContact CD2-O 3.41Å; L383-I410 HydrophobicContact CD2-CB 4.42Å; L383-I410 HydrophobicContact CD2-CG2 4.13Å; L383-F411 HydrophobicContact CD1-CD2 4.43Å; L383-F411 HydrophobicContact CD2-CB 3.94Å
384	V	92.8	Very high	91.1	Very high	53 Å²	53	33 Å²	33	32%	0.321	20%	0.198	S	C	.	.	H	α-helix	trans	-79	-45.9	178.7	171.2	0	0	0	0	112.1	A380 M381 Y382 G387 I388 L710	A380-V384 PolarHBondContact O-N 3.44Å; A380-V384 VanDerWaalsContact O-N 3.16Å; M381-V384 PolarHBondContact O-N 2.89Å; Y382-V384 VanDerWaalsContact C-N 3.26Å; Y382-V384 PolarHBondContact O-N 3.47Å; V384-G387 PolarHBondContact O-N 3.5Å; V384-I388 HydrophobicContact CG1-CD1 3.98Å; V384-I388 WeakPolarHBondContact O-CB 3.35Å; V384-I388 WeakPolarHBondContact O-CG1 3.48Å; V384-I388 PolarHBondContact O-N 3.29Å; V384-L710 HydrophobicContact CB-CD1 3.49Å; V384-L710 VanDerWaalsContact CB-CD1 3.49Å; V384-L710 HydrophobicContact CG1-CD1 3.54Å; V384-L710 HydrophobicContact CG1-CG 4.12Å; V384-L710 HydrophobicContact CG2-CD1 3.77Å
385	T	92.3	Very high	91.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.2	-51.1	-179.8	51.6	0	0	0	0	111.2	M381 Y382 G387 I388 G389 A707 N762	M381-T385 WeakPolarHBondContact O-CB 3.4Å; M381-T385 WeakPolarHBondContact O-CG2 3.45Å; M381-T385 PolarHBondContact O-N 3.46Å; M381-T385 PolarHBondContact O-OG1 3.01Å; Y382-T385 WeakPolarHBondContact CA-OG1 3.01Å; Y382-T385 PolarHBondContact O-N 2.76Å; Y382-T385 PolarHBondContact O-OG1 3.45Å; T385-G387 VanDerWaalsContact C-N 3.33Å; T385-G387 PolarHBondContact O-N 2.99Å; T385-I388 PolarHBondContact O-N 3.43Å; T385-G389 PolarHBondContact O-N 2.8Å; T385-A707 HydrophobicContact CG2-CB 4.1Å; T385-N762 VanDerWaalsContact OG1-CG 3.3Å; T385-N762 PolarHBondContact OG1-ND2 3.17Å; T385-N762 PolarHBondContact OG1-OD1 3.39Å
386	F	95.1	Very high	91.2	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-69	-30.7	173.1	-76.4	-56.3	0	0	0	112.5	V335 Y382 I388 G389 A390 F402 C403 C407 I410 I758	V335-F386 HydrophobicContact CG1-CE2 3.74Å; V335-F386 HydrophobicContact CG1-CZ 3.8Å; Y382-F386 AromaticContact CD1-CD2 3.92Å; Y382-F386 HydrophobicContact CD1-CD2 3.92Å; Y382-F386 AromaticContact CD1-CE2 3.63Å; Y382-F386 HydrophobicContact CD1-CE2 3.63Å; Y382-F386 HydrophobicContact CE1-CE2 4.16Å; Y382-F386 WeakPolarHBondContact O-CB 3.15Å; Y382-F386 PolarHBondContact O-N 3.16Å; F386-I388 VanDerWaalsContact C-N 3.32Å; F386-I388 PolarHBondContact O-N 2.93Å; F386-G389 CarbonylContact O-C 3.39Å; F386-G389 PolarHBondContact O-N 3.03Å; F386-A390 VanDerWaalsContact O-CB 3.3Å; F386-A390 WeakPolarHBondContact O-CB 3.37Å; F386-A390 PolarHBondContact O-N 2.91Å; F386-F402 HydrophobicContact CE1-CE1 4.15Å; F386-C403 HydrophobicContact CB-CB 4.4Å; F386-C403 HydrophobicContact CD1-CB 3.96Å; F386-C403 WeakPolarHBondContact O-CB 3.46Å; F386-C407 HydrophobicContact CB-CB 4.07Å; F386-I410 HydrophobicContact CD2-CD1 3.69Å; F386-I410 HydrophobicContact CE2-CD1 3.76Å; F386-I758 HydrophobicContact CD1-CG2 3.89Å; F386-I758 HydrophobicContact CE1-CG2 3.76Å
387	G	94	Very high	91.2	Very high	31 Å²	31	32.6 Å²	32.6	32%	0.32	19%	0.191	S	C	.	.	H	α-helix	trans	-60.4	-41.1	173.2	0	0	0	0	0	112.6	L383 V384 T385 A390 S391	L383-G387 WeakPolarHBondContact O-CA 3.42Å; L383-G387 PolarHBondContact O-N 3.35Å; V384-G387 PolarHBondContact O-N 3.5Å; T385-G387 VanDerWaalsContact C-N 3.33Å; T385-G387 PolarHBondContact O-N 2.99Å; G387-A390 CarbonylContact O-C 3.29Å; G387-A390 PolarHBondContact O-N 3.39Å; G387-S391 PolarHBondContact O-N 3.42Å
388	I	92.1	Very high	91.4	Very high	56 Å²	56	29.3 Å²	29.3	29%	0.287	17%	0.174	S	C	.	.	H	α-helix	trans	-73.2	-38.1	175	-76	164.9	0	0	0	111.3	V384 T385 F386 A390 S391 N702	V384-I388 HydrophobicContact CG1-CD1 3.98Å; V384-I388 WeakPolarHBondContact O-CB 3.35Å; V384-I388 WeakPolarHBondContact O-CG1 3.48Å; V384-I388 PolarHBondContact O-N 3.29Å; T385-I388 PolarHBondContact O-N 3.43Å; F386-I388 VanDerWaalsContact C-N 3.32Å; F386-I388 PolarHBondContact O-N 2.93Å; I388-A390 PolarHBondContact O-N 2.93Å; I388-S391 WeakPolarHBondContact O-CB 3.42Å; I388-S391 PolarHBondContact O-N 3.02Å; I388-S391 PolarHBondContact O-OG 3.33Å; I388-N702 HydrophobicContact CG2-CB 3.59Å
389	G	90.1	Very high	91.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58.1	-33.4	169.4	0	0	0	0	0	113	T385 F386 S391 T394	T385-G389 PolarHBondContact O-N 2.8Å; F386-G389 CarbonylContact O-C 3.39Å; F386-G389 PolarHBondContact O-N 3.03Å; G389-S391 VanDerWaalsContact C-N 3.31Å; G389-T394 WeakPolarHBondContact O-CB 3.44Å; G389-T394 PolarHBondContact O-OG1 2.92Å
390	A	92.9	Very high	91.6	Very high	24 Å²	24	33 Å²	33	20%	0.198	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-2.9	175.6	0	0	0	0	0	114.2	F386 G387 I388 R400 C403 C404	F386-A390 VanDerWaalsContact O-CB 3.3Å; F386-A390 WeakPolarHBondContact O-CB 3.37Å; F386-A390 PolarHBondContact O-N 2.91Å; G387-A390 CarbonylContact O-C 3.29Å; G387-A390 PolarHBondContact O-N 3.39Å; I388-A390 PolarHBondContact O-N 2.93Å; A390-R400 VanDerWaalsContact O-CG 3.25Å; A390-R400 WeakPolarHBondContact O-CG 3.39Å; A390-C403 HydrophobicContact CB-CB 4.08Å; A390-C404 HydrophobicContact CB-CB 3.91Å
391	S	91.1	Very high	91.7	Very high	18 Å²	18	32.5 Å²	32.5	13%	0.126	18%	0.178	C	C	.	.	S	Bend	trans	-70	159	-177.4	74.4	0	0	0	0	112.4	G387 I388 G389 F393 T394	G387-S391 PolarHBondContact O-N 3.42Å; I388-S391 WeakPolarHBondContact O-CB 3.42Å; I388-S391 PolarHBondContact O-N 3.02Å; I388-S391 PolarHBondContact O-OG 3.33Å; G389-S391 VanDerWaalsContact C-N 3.31Å; S391-F393 PolarHBondContact O-N 3.06Å; S391-F393 VanDerWaalsContact O-N 3.08Å; S391-F393 WeakPolarHBondContact OG-CD2 3.36Å; S391-F393 PolarHBondContact OG-N 3.44Å; S391-T394 PolarHBondContact O-N 3.28Å; S391-T394 VanDerWaalsContact O-N 3.09Å
392	P	87.8	Confident	91.9	Very high	111 Å²	111	32.4 Å²	32.4	72%	0.721	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-12.2	172.7	-22.1	33.8	0	0	0	114.5	T394	P392-T394 PolarHBondContact O-N 3.32Å
393	F	84.6	Confident	92	Very high	166 Å²	166	32.4 Å²	32.4	73%	0.728	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-18.3	175.4	-54.6	-58.9	0	0	0	112.5	S391 N395	S391-F393 PolarHBondContact O-N 3.06Å; S391-F393 VanDerWaalsContact O-N 3.08Å; S391-F393 WeakPolarHBondContact OG-CD2 3.36Å; S391-F393 PolarHBondContact OG-N 3.44Å; F393-N395 PolarHBondContact O-N 3.38Å
394	T	89.1	Confident	92	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.181	C	C	.	.			trans	-78.9	106.3	173.2	-59.2	0	0	0	0	109.6	G389 S391 P392 I396 A399 R400 P699	G389-T394 WeakPolarHBondContact O-CB 3.44Å; G389-T394 PolarHBondContact O-OG1 2.92Å; S391-T394 PolarHBondContact O-N 3.28Å; S391-T394 VanDerWaalsContact O-N 3.09Å; P392-T394 PolarHBondContact O-N 3.32Å; T394-I396 PolarHBondContact O-N 2.85Å; T394-A399 HydrophobicContact CG2-CB 3.85Å; T394-R400 HydrophobicContact CG2-CB 4.42Å; T394-P699 HydrophobicContact CG2-CB 3.88Å; T394-P699 HydrophobicContact CG2-CG 3.92Å
395	N	89.8	Confident	92.2	Very high	33 Å²	33	30.3 Å²	30.3	18%	0.176	17%	0.168	C	C	.	.			trans	-78.9	-2.2	-175.1	-166.3	23.6	0	0	0	113.8	P58 Q59 H60 F393 S695	P58-N395 CarbonylContact C-O 3.59Å; P58-N395 WeakPolarHBondContact CA-O 3.5Å; P58-N395 WeakPolarHBondContact CB-ND2 3.17Å; Q59-N395 PolarHBondContact N-O 3.4Å; Q59-N395 PolarHBondContact N-OD1 2.93Å; H60-N395 PolarHBondContact N-OD1 2.91Å; H60-N395 PolarHBondContact O-ND2 3.43Å; F393-N395 PolarHBondContact O-N 3.38Å; N395-S695 WeakPolarHBondContact CB-OG 3.25Å
396	I	90.1	Very high	92.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.168	C	C	.	.			trans	-106	117	174.5	-57.3	-176.1	0	0	0	109.2	L55 T394 A398 A399 R400 S695 L696	L55-I396 WeakPolarHBondContact O-CG2 3.19Å; T394-I396 PolarHBondContact O-N 2.85Å; I396-A398 HydrophobicContact CG2-CB 4.33Å; I396-A398 PolarHBondContact O-N 3.32Å; I396-A399 HydrophobicContact CB-CB 4.26Å; I396-A399 HydrophobicContact CG2-CB 4.35Å; I396-A399 PolarHBondContact O-N 3.48Å; I396-R400 PolarHBondContact O-N 3.31Å; I396-R400 VanDerWaalsContact O-N 3.14Å; I396-S695 VanDerWaalsContact CG1-OG 3.23Å; I396-S695 WeakPolarHBondContact CG1-OG 3.3Å; I396-L696 HydrophobicContact CD1-CB 4.13Å; I396-L696 HydrophobicContact CD1-CD1 3.35Å; I396-L696 HydrophobicContact CD1-CG 4.35Å
397	E	92.2	Very high	92.5	Very high	14 Å²	14	31.7 Å²	31.7	7%	0.065	18%	0.177	C	C	.	.	H	α-helix	trans	-64.3	-42.5	-174.6	-175.3	60.8	-166.6	0	0	112.4	H54 L55 Q59 A399 R400 I401	H54-E397 VanDerWaalsContact O-CB 3.25Å; H54-E397 WeakPolarHBondContact O-CB 3.36Å; L55-E397 PolarHBondContact O-N 2.93Å; Q59-E397 PolarHBondContact NE2-OE2 2.79Å; E397-A399 VanDerWaalsContact C-N 3.26Å; E397-A399 PolarHBondContact O-N 3.45Å; E397-R400 WeakPolarHBondContact O-CB 3.41Å; E397-R400 PolarHBondContact O-N 2.9Å; E397-R400 IonicContact OE1-CZ 3.17Å; E397-R400 IonicContact OE1-NE 3.85Å; E397-R400 PolarHBondContact OE1-NE 2.87Å; E397-R400 IonicContact OE1-NH2 3.89Å; E397-R400 PolarHBondContact OE1-NH2 2.97Å; E397-R400 IonicContact OE2-CZ 3.82Å; E397-R400 IonicContact OE2-NE 2.86Å; E397-R400 PolarHBondContact OE2-NE 3.44Å; E397-R400 IonicContact OE2-NH2 3.99Å; E397-R400 PolarHBondContact OE2-NH2 3.27Å; E397-I401 HydrophobicContact CG-CG2 4.25Å; E397-I401 WeakPolarHBondContact O-CG1 3.4Å; E397-I401 PolarHBondContact O-N 3.29Å; E397-I401 WeakPolarHBondContact OE1-CG2 3.35Å
398	A	91.9	Very high	92.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-55.9	-42.2	178.9	0	0	0	0	0	112	L55 L56 T328 I396 I401 F402	L55-A398 HydrophobicContact CB-CB 4.23Å; L55-A398 HydrophobicContact CD2-CB 4.49Å; L55-A398 VanDerWaalsContact O-CB 3.25Å; L55-A398 WeakPolarHBondContact O-CB 3.28Å; L55-A398 PolarHBondContact O-N 3.49Å; L56-A398 HydrophobicContact CD2-CB 3.89Å; T328-A398 HydrophobicContact CG2-CB 4.08Å; I396-A398 HydrophobicContact CG2-CB 4.33Å; I396-A398 PolarHBondContact O-N 3.32Å; A398-I401 WeakPolarHBondContact O-CG1 3.3Å; A398-F402 WeakPolarHBondContact O-CB 3.34Å; A398-F402 PolarHBondContact O-N 3.06Å
399	A	91.9	Very high	92.9	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.008	16%	0.158	C	C	.	.	H	α-helix	trans	-65.6	-44.6	175.8	0	0	0	0	0	111.6	T394 I396 E397 I401 F402 C403 P699 L755	T394-A399 HydrophobicContact CG2-CB 3.85Å; I396-A399 HydrophobicContact CB-CB 4.26Å; I396-A399 HydrophobicContact CG2-CB 4.35Å; I396-A399 PolarHBondContact O-N 3.48Å; E397-A399 VanDerWaalsContact C-N 3.26Å; E397-A399 PolarHBondContact O-N 3.45Å; A399-I401 PolarHBondContact O-N 3.18Å; A399-F402 PolarHBondContact O-N 2.9Å; A399-C403 WeakPolarHBondContact O-CB 3.41Å; A399-C403 PolarHBondContact O-N 2.94Å; A399-C403 PolarHBondContact O-SG 2.85Å; A399-P699 HydrophobicContact CB-CG 4.49Å; A399-L755 HydrophobicContact CB-CD2 3.88Å
400	R	94	Very high	93.3	Very high	82 Å²	82	29.4 Å²	29.4	31%	0.309	16%	0.158	S	C	.	.	H	α-helix	trans	-58.7	-49.9	179.2	-167.6	178.4	66.9	122.3	-6.1	112.2	A390 T394 I396 E397 C403 C404	A390-R400 VanDerWaalsContact O-CG 3.25Å; A390-R400 WeakPolarHBondContact O-CG 3.39Å; T394-R400 HydrophobicContact CG2-CB 4.42Å; I396-R400 PolarHBondContact O-N 3.31Å; I396-R400 VanDerWaalsContact O-N 3.14Å; E397-R400 WeakPolarHBondContact O-CB 3.41Å; E397-R400 PolarHBondContact O-N 2.9Å; E397-R400 IonicContact OE1-CZ 3.17Å; E397-R400 IonicContact OE1-NE 3.85Å; E397-R400 PolarHBondContact OE1-NE 2.87Å; E397-R400 IonicContact OE1-NH2 3.89Å; E397-R400 PolarHBondContact OE1-NH2 2.97Å; E397-R400 IonicContact OE2-CZ 3.82Å; E397-R400 IonicContact OE2-NE 2.86Å; E397-R400 PolarHBondContact OE2-NE 3.44Å; E397-R400 IonicContact OE2-NH2 3.99Å; E397-R400 PolarHBondContact OE2-NH2 3.27Å; R400-C403 PolarHBondContact O-N 2.79Å; R400-C404 VanDerWaalsContact O-CB 3.28Å; R400-C404 WeakPolarHBondContact O-CB 3.41Å; R400-C404 PolarHBondContact O-N 3.16Å
401	I	94.7	Very high	93.6	Very high	36 Å²	36	32.8 Å²	32.8	19%	0.185	17%	0.169	C	C	.	.	H	α-helix	trans	-72.2	-34.5	-178.5	64	-171.9	0	0	0	112.4	L55 N326 F329 E397 A398 A399 C404 N405	L55-I401 HydrophobicContact CD2-CD1 3.61Å; N326-I401 WeakPolarHBondContact ND2-CD1 3.35Å; F329-I401 HydrophobicContact CE1-CB 4.37Å; F329-I401 HydrophobicContact CE1-CD1 4.44Å; F329-I401 HydrophobicContact CE1-CG1 3.91Å; F329-I401 HydrophobicContact CZ-CB 4.31Å; F329-I401 HydrophobicContact CZ-CD1 4.47Å; F329-I401 HydrophobicContact CZ-CG1 4.17Å; E397-I401 HydrophobicContact CG-CG2 4.25Å; E397-I401 WeakPolarHBondContact O-CG1 3.4Å; E397-I401 PolarHBondContact O-N 3.29Å; E397-I401 WeakPolarHBondContact OE1-CG2 3.35Å; A398-I401 WeakPolarHBondContact O-CG1 3.3Å; A399-I401 PolarHBondContact O-N 3.18Å; I401-C404 PolarHBondContact O-N 3.35Å; I401-N405 WeakPolarHBondContact O-CB 3.4Å; I401-N405 PolarHBondContact O-N 3.3Å
402	F	94.9	Very high	93.9	Very high	6 Å²	6	33.6 Å²	33.6	3%	0.026	17%	0.17	C	C	.	.	H	α-helix	trans	-61.9	-48.8	172.6	178.7	-80.7	0	0	0	110.9	T328 F329 V332 V335 F386 A398 A399 C404 N405 S406 L755	T328-F402 WeakPolarHBondContact O-CD2 3.3Å; T328-F402 WeakPolarHBondContact O-CE2 2.95Å; F329-F402 HydrophobicContact CD1-CD2 4.44Å; F329-F402 HydrophobicContact CE1-CB 4.48Å; V332-F402 HydrophobicContact CG2-CD2 3.72Å; V332-F402 HydrophobicContact CG2-CE2 3.54Å; V332-F402 HydrophobicContact CG2-CG 4.41Å; V332-F402 HydrophobicContact CG2-CZ 4.09Å; V335-F402 HydrophobicContact CG2-CE1 4.31Å; V335-F402 HydrophobicContact CG2-CZ 3.91Å; F386-F402 HydrophobicContact CE1-CE1 4.15Å; A398-F402 WeakPolarHBondContact O-CB 3.34Å; A398-F402 PolarHBondContact O-N 3.06Å; A399-F402 PolarHBondContact O-N 2.9Å; F402-C404 VanDerWaalsContact C-N 3.35Å; F402-N405 PolarHBondContact O-N 3.23Å; F402-S406 WeakPolarHBondContact O-CB 3.47Å; F402-S406 PolarHBondContact O-N 3.35Å; F402-S406 PolarHBondContact O-OG 2.8Å; F402-L755 HydrophobicContact CB-CD1 3.9Å; F402-L755 HydrophobicContact CB-CD2 4.07Å; F402-L755 HydrophobicContact CD1-CB 4.17Å; F402-L755 HydrophobicContact CD1-CD1 4.07Å; F402-L755 HydrophobicContact CD1-CD2 3.57Å; F402-L755 HydrophobicContact CD1-CG 4.13Å; F402-L755 HydrophobicContact CD2-CD1 4.02Å; F402-L755 HydrophobicContact CE1-CB 4.09Å; F402-L755 HydrophobicContact CE1-CD2 4.27Å; F402-L755 HydrophobicContact CG-CD1 3.73Å; F402-L755 HydrophobicContact CG-CD2 3.97Å; F402-L755 HydrophobicContact CG-CG 4.3Å; F402-L755 HydrophobicContact CZ-CB 4.45Å
403	C	95.4	Very high	94.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.5	-40.4	178.7	-66.2	0	0	0	0	111.4	F386 A390 A399 R400 S406 C407	F386-C403 HydrophobicContact CB-CB 4.4Å; F386-C403 HydrophobicContact CD1-CB 3.96Å; F386-C403 WeakPolarHBondContact O-CB 3.46Å; A390-C403 HydrophobicContact CB-CB 4.08Å; A399-C403 WeakPolarHBondContact O-CB 3.41Å; A399-C403 PolarHBondContact O-N 2.94Å; A399-C403 PolarHBondContact O-SG 2.85Å; R400-C403 PolarHBondContact O-N 2.79Å; C403-S406 PolarHBondContact O-N 3.09Å; C403-C407 VanDerWaalsContact O-CB 3.27Å; C403-C407 WeakPolarHBondContact O-CB 3.21Å; C403-C407 PolarHBondContact O-N 2.94Å
404	C	95.8	Very high	95.1	Very high	48 Å²	48	22.5 Å²	22.5	32%	0.324	11%	0.109	S	C	.	.	H	α-helix	trans	-60.4	-50.8	175.7	-177.6	0	0	0	0	111.6	A390 R400 I401 F402 S406 C407 I408	A390-C404 HydrophobicContact CB-CB 3.91Å; R400-C404 VanDerWaalsContact O-CB 3.28Å; R400-C404 WeakPolarHBondContact O-CB 3.41Å; R400-C404 PolarHBondContact O-N 3.16Å; I401-C404 PolarHBondContact O-N 3.35Å; F402-C404 VanDerWaalsContact C-N 3.35Å; C404-S406 VanDerWaalsContact C-N 3.33Å; C404-S406 PolarHBondContact O-N 2.88Å; C404-C407 PolarHBondContact O-N 2.94Å; C404-I408 WeakPolarHBondContact O-CG1 3.07Å; C404-I408 PolarHBondContact O-N 3.47Å
405	N	95.8	Very high	95.5	Very high	11 Å²	11	25.3 Å²	25.3	6%	0.059	12%	0.124	C	C	.	.	H	α-helix	trans	-62.2	-42.1	178.7	-171.5	34.2	0	0	0	111.5	I318 F329 I401 F402 I408 A409	I318-N405 HydrophobicContact CG1-CB 4.48Å; F329-N405 HydrophobicContact CE1-CB 4.41Å; F329-N405 HydrophobicContact CZ-CB 4.25Å; I401-N405 WeakPolarHBondContact O-CB 3.4Å; I401-N405 PolarHBondContact O-N 3.3Å; F402-N405 PolarHBondContact O-N 3.23Å; N405-I408 PolarHBondContact O-N 3Å; N405-A409 VanDerWaalsContact O-CB 3.31Å; N405-A409 WeakPolarHBondContact O-CB 3.44Å; N405-A409 PolarHBondContact O-N 3.02Å
406	S	96.7	Very high	96	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.8	-41.6	177	-57.4	0	0	0	0	111.7	F402 C403 C404 A409 I410	F402-S406 WeakPolarHBondContact O-CB 3.47Å; F402-S406 PolarHBondContact O-N 3.35Å; F402-S406 PolarHBondContact O-OG 2.8Å; C403-S406 PolarHBondContact O-N 3.09Å; C404-S406 VanDerWaalsContact C-N 3.33Å; C404-S406 PolarHBondContact O-N 2.88Å; S406-A409 PolarHBondContact O-N 3.25Å; S406-I410 WeakPolarHBondContact O-CB 3.34Å; S406-I410 WeakPolarHBondContact O-CG1 3.34Å; S406-I410 PolarHBondContact O-N 3.43Å
407	C	96.8	Very high	96.3	Very high	28 Å²	28	24 Å²	24	19%	0.189	12%	0.116	C	C	.	.	H	α-helix	trans	-61.8	-46.3	176.9	-173.3	0	0	0	0	111.9	L383 F386 C403 C404 I410 F411	L383-C407 WeakPolarHBondContact CD2-O 3.41Å; F386-C407 HydrophobicContact CB-CB 4.07Å; C403-C407 VanDerWaalsContact O-CB 3.27Å; C403-C407 WeakPolarHBondContact O-CB 3.21Å; C403-C407 PolarHBondContact O-N 2.94Å; C404-C407 PolarHBondContact O-N 2.94Å; C407-I410 PolarHBondContact O-N 3.2Å; C407-F411 WeakPolarHBondContact O-CB 3.2Å; C407-F411 PolarHBondContact O-N 3.22Å
408	I	97.8	Very high	96.5	Very high	40 Å²	40	24.5 Å²	24.5	21%	0.205	12%	0.119	C	C	.	.	H	α-helix	trans	-62.7	-45.5	176	-62.8	168.4	0	0	0	110.4	A314 I317 I318 C404 N405 I410 F411 F412	A314-I408 HydrophobicContact CB-CB 4.21Å; A314-I408 HydrophobicContact CB-CG2 3.77Å; I317-I408 HydrophobicContact CD1-CG2 4Å; I317-I408 HydrophobicContact CG2-CD1 4.45Å; I318-I408 HydrophobicContact CD1-CD1 3.86Å; C404-I408 WeakPolarHBondContact O-CG1 3.07Å; C404-I408 PolarHBondContact O-N 3.47Å; N405-I408 PolarHBondContact O-N 3Å; I408-I410 PolarHBondContact O-N 2.96Å; I408-F411 WeakPolarHBondContact O-CB 3.45Å; I408-F411 PolarHBondContact O-N 3.39Å; I408-F412 HydrophobicContact CG2-CD2 3.92Å; I408-F412 HydrophobicContact CG2-CE2 4.01Å; I408-F412 WeakPolarHBondContact O-CD2 3.45Å; I408-F412 PolarHBondContact O-N 3.42Å; I408-F412 VanDerWaalsContact O-N 3.08Å
409	A	98.5	Very high	96.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.9	-40.2	180	0	0	0	0	0	112.3	A314 M336 N405 S406 F412 N413	A314-A409 HydrophobicContact CB-CB 3.64Å; M336-A409 HydrophobicContact CE-CB 4.09Å; M336-A409 HydrophobicContact CG-CB 4Å; M336-A409 HydrophobicContact SD-CB 3.32Å; M336-A409 WeakPolarHBondContact SD-CB 3.28Å; N405-A409 VanDerWaalsContact O-CB 3.31Å; N405-A409 WeakPolarHBondContact O-CB 3.44Å; N405-A409 PolarHBondContact O-N 3.02Å; S406-A409 PolarHBondContact O-N 3.25Å; A409-F412 PolarHBondContact O-N 2.92Å; A409-N413 VanDerWaalsContact O-CB 3.23Å; A409-N413 WeakPolarHBondContact O-CB 3.32Å; A409-N413 PolarHBondContact O-N 3.1Å
410	I	98.4	Very high	97.1	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-66.4	-42.1	176.4	-71	170	0	0	0	111.3	V335 M336 T379 Y382 L383 F386 S406 C407 I408 F412 N413 Y414	V335-I410 HydrophobicContact CG1-CD1 4.41Å; M336-I410 HydrophobicContact CE-CD1 3.79Å; M336-I410 HydrophobicContact CE-CG1 3.3Å; M336-I410 HydrophobicContact SD-CG1 3.88Å; T379-I410 HydrophobicContact CG2-CG2 3.83Å; Y382-I410 HydrophobicContact CD1-CD1 3.38Å; Y382-I410 HydrophobicContact CE1-CD1 4.15Å; Y382-I410 HydrophobicContact CG-CD1 3.75Å; Y382-I410 HydrophobicContact CG-CG2 4.49Å; L383-I410 HydrophobicContact CD2-CB 4.42Å; L383-I410 HydrophobicContact CD2-CG2 4.13Å; F386-I410 HydrophobicContact CD2-CD1 3.69Å; F386-I410 HydrophobicContact CE2-CD1 3.76Å; S406-I410 WeakPolarHBondContact O-CB 3.34Å; S406-I410 WeakPolarHBondContact O-CG1 3.34Å; S406-I410 PolarHBondContact O-N 3.43Å; C407-I410 PolarHBondContact O-N 3.2Å; I408-I410 PolarHBondContact O-N 2.96Å; I410-F412 PolarHBondContact O-N 3.34Å; I410-N413 PolarHBondContact O-N 3.06Å; I410-Y414 PolarHBondContact O-N 3.23Å
411	F	98.3	Very high	97.3	Very high	95 Å²	95	22.1 Å²	22.1	42%	0.417	11%	0.113	S	C	.	.	H	α-helix	trans	-57.6	-48.9	176.1	176.3	-102.9	0	0	0	111.6	L383 C407 I408 Y414 L415	L383-F411 HydrophobicContact CD1-CD2 4.43Å; L383-F411 HydrophobicContact CD2-CB 3.94Å; C407-F411 WeakPolarHBondContact O-CB 3.2Å; C407-F411 PolarHBondContact O-N 3.22Å; I408-F411 WeakPolarHBondContact O-CB 3.45Å; I408-F411 PolarHBondContact O-N 3.39Å; F411-Y414 PolarHBondContact O-N 3.18Å; F411-L415 HydrophobicContact CD1-CD1 4.21Å; F411-L415 HydrophobicContact CE1-CD1 3.6Å; F411-L415 HydrophobicContact CZ-CD1 3.82Å; F411-L415 HydrophobicContact CZ-CG 4.47Å; F411-L415 WeakPolarHBondContact O-CG 3.44Å; F411-L415 PolarHBondContact O-N 3.46Å
412	F	98.4	Very high	97.5	Very high	34 Å²	34	20.4 Å²	20.4	15%	0.149	10%	0.104	C	C	.	.	H	α-helix	trans	-70.7	-33.8	176.8	-80	-78.2	0	0	0	112.9	A310 T313 I317 I408 A409 I410 Y414 L415 Y416	A310-F412 HydrophobicContact CB-CB 4.2Å; T313-F412 HydrophobicContact CG2-CB 4.3Å; T313-F412 HydrophobicContact CG2-CD1 3.54Å; T313-F412 HydrophobicContact CG2-CD2 3.8Å; T313-F412 HydrophobicContact CG2-CE1 3.69Å; T313-F412 HydrophobicContact CG2-CE2 3.97Å; T313-F412 HydrophobicContact CG2-CG 3.59Å; T313-F412 HydrophobicContact CG2-CZ 3.9Å; I317-F412 HydrophobicContact CD1-CD2 4.17Å; I317-F412 HydrophobicContact CD1-CE2 3.28Å; I317-F412 HydrophobicContact CD1-CZ 3.7Å; I408-F412 HydrophobicContact CG2-CD2 3.92Å; I408-F412 HydrophobicContact CG2-CE2 4.01Å; I408-F412 WeakPolarHBondContact O-CD2 3.45Å; I408-F412 PolarHBondContact O-N 3.42Å; I408-F412 VanDerWaalsContact O-N 3.08Å; A409-F412 PolarHBondContact O-N 2.92Å; I410-F412 PolarHBondContact O-N 3.34Å; F412-Y414 VanDerWaalsContact C-N 3.31Å; F412-Y414 PolarHBondContact O-N 3Å; F412-L415 HydrophobicContact CD1-CD1 4.3Å; F412-L415 HydrophobicContact CE1-CD1 4.48Å; F412-L415 PolarHBondContact O-N 3.34Å; F412-Y416 HydrophobicContact CD1-CE1 4.09Å; F412-Y416 WeakPolarHBondContact O-CB 3.45Å; F412-Y416 WeakPolarHBondContact O-CD1 3.11Å; F412-Y416 VanDerWaalsContact O-CG 3.25Å; F412-Y416 PolarHBondContact O-N 3.3Å
413	N	98.5	Very high	97.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-59.4	-44.7	174.3	-178.8	71	0	0	0	110.8	A310 H339 A409 I410 L415 Y416 V417	A310-N413 VanDerWaalsContact CB-CA 3.47Å; A310-N413 HydrophobicContact CB-CB 3.79Å; H339-N413 PolarHBondContact CD2-ND2 2.67Å; H339-N413 PolarHBondContact NE2-ND2 3.45Å; A409-N413 VanDerWaalsContact O-CB 3.23Å; A409-N413 WeakPolarHBondContact O-CB 3.32Å; A409-N413 PolarHBondContact O-N 3.1Å; I410-N413 PolarHBondContact O-N 3.06Å; N413-L415 PolarHBondContact O-N 3.32Å; N413-Y416 PolarHBondContact O-N 3.33Å; N413-V417 WeakPolarHBondContact O-CB 3.4Å; N413-V417 VanDerWaalsContact O-CG2 3.28Å; N413-V417 WeakPolarHBondContact O-CG2 3.28Å; N413-V417 PolarHBondContact O-N 3.37Å
414	Y	98.3	Very high	97.7	Very high	44 Å²	44	20.5 Å²	20.5	17%	0.173	11%	0.106	C	C	.	.	H	α-helix	trans	-58	-48.6	174.1	173.8	-98.4	0	0	0	112.5	M372 F375 S376 T379 I410 F411 F412 Y416 V417 L418	M372-Y414 HydrophobicContact CE-CD2 4.39Å; M372-Y414 HydrophobicContact CE-CE2 3.74Å; F375-Y414 AromaticContact CD1-CD2 3.89Å; F375-Y414 HydrophobicContact CD1-CD2 3.89Å; F375-Y414 HydrophobicContact CD1-CE2 4.21Å; F375-Y414 AromaticContact CE1-CD2 3.79Å; F375-Y414 HydrophobicContact CE1-CD2 3.79Å; S376-Y414 VanDerWaalsContact OG-CE2 3.24Å; S376-Y414 WeakPolarHBondContact OG-CE2 3.41Å; S376-Y414 PolarHBondContact OG-OH 2.87Å; T379-Y414 HydrophobicContact CG2-CD2 3.96Å; T379-Y414 HydrophobicContact CG2-CG 3.94Å; I410-Y414 PolarHBondContact O-N 3.23Å; F411-Y414 PolarHBondContact O-N 3.18Å; F412-Y414 VanDerWaalsContact C-N 3.31Å; F412-Y414 PolarHBondContact O-N 3Å; Y414-Y416 VanDerWaalsContact C-N 3.28Å; Y414-Y416 PolarHBondContact O-N 2.86Å; Y414-V417 PolarHBondContact O-N 3.21Å; Y414-L418 HydrophobicContact CE1-CD1 4.21Å; Y414-L418 WeakPolarHBondContact O-CB 3.47Å; Y414-L418 PolarHBondContact O-N 3Å
415	L	98.2	Very high	97.7	Very high	60 Å²	60	18.2 Å²	18.2	31%	0.314	9%	0.09	S	C	.	.	H	α-helix	trans	-61.4	-37.5	177.6	-66.3	179.9	0	0	0	112.1	F411 F412 N413 L418 S419	F411-L415 HydrophobicContact CD1-CD1 4.21Å; F411-L415 HydrophobicContact CE1-CD1 3.6Å; F411-L415 HydrophobicContact CZ-CD1 3.82Å; F411-L415 HydrophobicContact CZ-CG 4.47Å; F411-L415 WeakPolarHBondContact O-CG 3.44Å; F411-L415 PolarHBondContact O-N 3.46Å; F412-L415 HydrophobicContact CD1-CD1 4.3Å; F412-L415 HydrophobicContact CE1-CD1 4.48Å; F412-L415 PolarHBondContact O-N 3.34Å; N413-L415 PolarHBondContact O-N 3.32Å; L415-L418 PolarHBondContact O-N 2.86Å; L415-S419 WeakPolarHBondContact O-CB 3.45Å; L415-S419 PolarHBondContact O-N 2.83Å; L415-S419 PolarHBondContact O-OG 3.11Å
416	Y	98.6	Very high	97.8	Very high	5 Å²	5	17.7 Å²	17.7	2%	0.02	9%	0.087	C	C	.	.	H	α-helix	trans	-81.2	-30.7	-176.9	-68.4	0.5	0	0	0	112.7	P32 I35 S36 T306 L309 A310 T313 F412 N413 Y414 L418 S419 F420 Y421	P32-Y416 HydrophobicContact CB-CD1 3.58Å; P32-Y416 HydrophobicContact CB-CD2 4.21Å; P32-Y416 HydrophobicContact CB-CE1 3.57Å; P32-Y416 HydrophobicContact CB-CE2 4.21Å; P32-Y416 HydrophobicContact CB-CG 3.91Å; P32-Y416 HydrophobicContact CG-CD1 3.85Å; P32-Y416 HydrophobicContact CG-CE1 4.06Å; P32-Y416 HydrophobicContact CG-CG 4.46Å; P32-Y416 PolarHBondContact O-OH 3.35Å; I35-Y416 WeakPolarHBondContact CG2-OH 3.29Å; S36-Y416 VanDerWaalsContact OG-CE2 3.32Å; S36-Y416 WeakPolarHBondContact OG-CE2 3.32Å; S36-Y416 PolarHBondContact OG-OH 3.39Å; T306-Y416 VanDerWaalsContact CG2-C 3.43Å; T306-Y416 WeakPolarHBondContact CG2-O 3.39Å; L309-Y416 HydrophobicContact CB-CD2 3.84Å; L309-Y416 HydrophobicContact CB-CE2 3.85Å; A310-Y416 HydrophobicContact CB-CD2 3.9Å; A310-Y416 HydrophobicContact CB-CE2 4.4Å; T313-Y416 WeakPolarHBondContact OG1-CE2 3.35Å; T313-Y416 PolarHBondContact OG1-OH 3.25Å; F412-Y416 HydrophobicContact CD1-CE1 4.09Å; F412-Y416 WeakPolarHBondContact O-CB 3.45Å; F412-Y416 WeakPolarHBondContact O-CD1 3.11Å; F412-Y416 VanDerWaalsContact O-CG 3.25Å; F412-Y416 PolarHBondContact O-N 3.3Å; N413-Y416 PolarHBondContact O-N 3.33Å; Y414-Y416 VanDerWaalsContact C-N 3.28Å; Y414-Y416 PolarHBondContact O-N 2.86Å; Y416-L418 VanDerWaalsContact C-N 3.32Å; Y416-S419 WeakPolarHBondContact CA-OG 3.29Å; Y416-S419 PolarHBondContact O-N 2.89Å; Y416-F420 WeakPolarHBondContact O-CA 3.42Å; Y416-F420 WeakPolarHBondContact O-CB 3.49Å; Y416-F420 PolarHBondContact O-N 2.92Å; Y416-Y421 PolarHBondContact O-N 2.7Å
417	V	98.2	Very high	97.7	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.106	C	C	.	.	I	π-helix	trans	-62.1	-45.4	166.9	169.8	0	0	0	0	109.6	T306 T344 M347 M372 F375 N413 Y414 S419 G422	T306-V417 HydrophobicContact CG2-CG2 4.16Å; T344-V417 HydrophobicContact CG2-CG2 4.13Å; M347-V417 HydrophobicContact SD-CG1 3.63Å; M372-V417 HydrophobicContact SD-CG1 4.46Å; F375-V417 HydrophobicContact CD1-CG1 4.29Å; F375-V417 HydrophobicContact CE1-CB 3.95Å; F375-V417 HydrophobicContact CE1-CG1 3.8Å; F375-V417 HydrophobicContact CE1-CG2 4.2Å; F375-V417 HydrophobicContact CZ-CB 4.5Å; F375-V417 HydrophobicContact CZ-CG1 4.46Å; F375-V417 HydrophobicContact CZ-CG2 4.25Å; N413-V417 WeakPolarHBondContact O-CB 3.4Å; N413-V417 VanDerWaalsContact O-CG2 3.28Å; N413-V417 WeakPolarHBondContact O-CG2 3.28Å; N413-V417 PolarHBondContact O-N 3.37Å; Y414-V417 PolarHBondContact O-N 3.21Å; V417-S419 VanDerWaalsContact C-N 3.33Å; V417-S419 PolarHBondContact O-N 3.48Å; V417-G422 PolarHBondContact O-N 3.42Å
418	L	96.3	Very high	97.5	Very high	24 Å²	24	21.4 Å²	21.4	13%	0.126	10%	0.102	C	C	.	.	I	π-helix	trans	-63.1	-35.9	177.7	-175.3	151.9	0	0	0	112.6	L17 I21 Y368 M372 Y414 L415 Y416	L17-L418 HydrophobicContact CD2-CD1 3.79Å; L17-L418 HydrophobicContact CD2-CD2 4.19Å; L17-L418 HydrophobicContact CD2-CG 4.12Å; I21-L418 HydrophobicContact CD1-CD2 3.85Å; I21-L418 HydrophobicContact CD1-CG 4.4Å; I21-L418 WeakPolarHBondContact CD1-O 3.41Å; Y368-L418 HydrophobicContact CE1-CG 4.33Å; Y368-L418 PolarHBondContact OH-O 3.4Å; M372-L418 HydrophobicContact CE-CB 4.12Å; M372-L418 HydrophobicContact CE-CD1 4.2Å; M372-L418 HydrophobicContact CE-CG 4.45Å; Y414-L418 HydrophobicContact CE1-CD1 4.21Å; Y414-L418 WeakPolarHBondContact O-CB 3.47Å; Y414-L418 PolarHBondContact O-N 3Å; L415-L418 PolarHBondContact O-N 2.86Å; Y416-L418 VanDerWaalsContact C-N 3.32Å
419	S	97.3	Very high	97.3	Very high	14 Å²	14	19.5 Å²	19.5	10%	0.098	9%	0.092	C	C	.	.	I	π-helix	trans	-103	-69.3	-174.3	54.1	0	0	0	0	113.4	F28 P32 L415 Y416 V417 S423	F28-S419 CarbonylContact O-C 3.36Å; F28-S419 WeakPolarHBondContact O-CB 3.5Å; P32-S419 WeakPolarHBondContact CG-OG 3.27Å; L415-S419 WeakPolarHBondContact O-CB 3.45Å; L415-S419 PolarHBondContact O-N 2.83Å; L415-S419 PolarHBondContact O-OG 3.11Å; Y416-S419 WeakPolarHBondContact CA-OG 3.29Å; Y416-S419 PolarHBondContact O-N 2.89Å; V417-S419 VanDerWaalsContact C-N 3.33Å; V417-S419 PolarHBondContact O-N 3.48Å; S419-S423 WeakPolarHBondContact O-CB 3.48Å; S419-S423 PolarHBondContact O-N 3.3Å; S419-S423 PolarHBondContact O-OG 3.42Å
420	F	98.4	Very high	97	Very high	19 Å²	19	22.7 Å²	22.7	8%	0.083	10%	0.104	C	C	.	.	I	π-helix	trans	-65.8	-51.5	-175.4	-177.4	-91.6	0	0	0	112.8	F28 A29 P32 V33 L302 V305 T306 L309 Y416 S423 S424	F28-F420 PolarHBondContact O-N 2.96Å; A29-F420 HydrophobicContact CB-CD2 4.48Å; A29-F420 VanDerWaalsContact O-CD2 3.32Å; A29-F420 WeakPolarHBondContact O-CD2 3.28Å; P32-F420 HydrophobicContact CB-CB 4.1Å; P32-F420 HydrophobicContact CG-CB 4.01Å; V33-F420 HydrophobicContact CG2-CD2 3.89Å; V33-F420 HydrophobicContact CG2-CE2 3.56Å; L302-F420 HydrophobicContact CB-CE1 4.49Å; L302-F420 HydrophobicContact CD2-CE1 4.12Å; L302-F420 HydrophobicContact CD2-CZ 4.06Å; V305-F420 HydrophobicContact CB-CE1 4.39Å; V305-F420 HydrophobicContact CG1-CE1 3.98Å; V305-F420 HydrophobicContact CG1-CZ 3.93Å; T306-F420 HydrophobicContact CG2-CD1 4.44Å; T306-F420 VanDerWaalsContact OG1-CD1 3.26Å; T306-F420 WeakPolarHBondContact OG1-CD1 3.34Å; L309-F420 HydrophobicContact CD1-CD2 4.31Å; L309-F420 HydrophobicContact CD1-CE2 4.26Å; L309-F420 HydrophobicContact CD1-CG 4.49Å; L309-F420 HydrophobicContact CD1-CZ 4.36Å; Y416-F420 WeakPolarHBondContact O-CA 3.42Å; Y416-F420 WeakPolarHBondContact O-CB 3.49Å; Y416-F420 PolarHBondContact O-N 2.92Å; F420-S423 PolarHBondContact O-N 3.34Å; F420-S424 PolarHBondContact O-N 3.32Å; F420-S424 PolarHBondContact O-OG 3.18Å
421	Y	98.4	Very high	96.7	Very high	1 Å²	1	24.3 Å²	24.3	0%	0.004	11%	0.113	C	C	.	.	I	π-helix	trans	-69.2	-41.2	179.8	-172.6	-104.3	0	0	0	111.4	L299 T344 M347 Y416 S423 S424 L425	L299-Y421 HydrophobicContact CB-CE2 4.36Å; L299-Y421 HydrophobicContact CD2-CE2 4.34Å; T344-Y421 HydrophobicContact CG2-CD1 3.95Å; T344-Y421 HydrophobicContact CG2-CD2 3.82Å; T344-Y421 HydrophobicContact CG2-CE1 4.07Å; T344-Y421 HydrophobicContact CG2-CE2 3.95Å; T344-Y421 HydrophobicContact CG2-CG 3.81Å; T344-Y421 VanDerWaalsContact O-CE1 3.26Å; T344-Y421 WeakPolarHBondContact O-CE1 3.41Å; T344-Y421 PolarHBondContact O-OH 3.08Å; M347-Y421 HydrophobicContact CB-CE1 4.01Å; M347-Y421 HydrophobicContact SD-CD1 3.95Å; M347-Y421 HydrophobicContact SD-CE1 4.36Å; Y416-Y421 PolarHBondContact O-N 2.7Å; Y421-S423 VanDerWaalsContact C-N 3.31Å; Y421-S423 PolarHBondContact O-N 2.92Å; Y421-S424 WeakPolarHBondContact O-CA 3.35Å; Y421-S424 VanDerWaalsContact O-CB 3.31Å; Y421-S424 WeakPolarHBondContact O-CB 3.38Å; Y421-S424 PolarHBondContact O-N 2.88Å; Y421-S424 VanDerWaalsContact O-N 3.09Å; Y421-L425 PolarHBondContact O-N 3Å
422	G	97.9	Very high	96.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-49.5	-48.3	168.8	0	0	0	0	0	114.1	Y368 V417 L425 V426	Y368-G422 WeakPolarHBondContact OH-CA 3.2Å; V417-G422 PolarHBondContact O-N 3.42Å; G422-L425 WeakPolarHBondContact O-CB 3.5Å; G422-L425 PolarHBondContact O-N 3.3Å; G422-V426 WeakPolarHBondContact O-CG2 3.36Å; G422-V426 PolarHBondContact O-N 3.45Å; G422-V426 VanDerWaalsContact O-N 3.13Å
423	S	98.3	Very high	95.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67.2	-38	176.8	-57.6	0	0	0	0	112.2	P25 F28 A29 S419 F420 Y421 L425 V426 F427	P25-S423 VanDerWaalsContact O-CB 3.3Å; P25-S423 WeakPolarHBondContact O-CB 3.21Å; P25-S423 PolarHBondContact O-OG 2.96Å; F28-S423 WeakPolarHBondContact CB-OG 3.36Å; A29-S423 PolarHBondContact N-OG 3.38Å; S419-S423 WeakPolarHBondContact O-CB 3.48Å; S419-S423 PolarHBondContact O-N 3.3Å; S419-S423 PolarHBondContact O-OG 3.42Å; F420-S423 PolarHBondContact O-N 3.34Å; Y421-S423 VanDerWaalsContact C-N 3.31Å; Y421-S423 PolarHBondContact O-N 2.92Å; S423-L425 VanDerWaalsContact C-N 3.31Å; S423-L425 PolarHBondContact O-N 3.18Å; S423-V426 WeakPolarHBondContact O-CB 3.47Å; S423-V426 PolarHBondContact O-N 3.25Å; S423-F427 WeakPolarHBondContact O-CD2 3.34Å; S423-F427 PolarHBondContact O-N 3.34Å
424	S	97.2	Very high	95.2	Very high	8 Å²	8	26.3 Å²	26.3	6%	0.056	13%	0.129	C	C	.	.	H	α-helix	trans	-60.7	-41.2	174.3	-59.3	0	0	0	0	111.6	F420 Y421 V426 F427 T428	F420-S424 PolarHBondContact O-N 3.32Å; F420-S424 PolarHBondContact O-OG 3.18Å; Y421-S424 WeakPolarHBondContact O-CA 3.35Å; Y421-S424 VanDerWaalsContact O-CB 3.31Å; Y421-S424 WeakPolarHBondContact O-CB 3.38Å; Y421-S424 PolarHBondContact O-N 2.88Å; Y421-S424 VanDerWaalsContact O-N 3.09Å; S424-V426 VanDerWaalsContact C-N 3.34Å; S424-V426 PolarHBondContact O-N 3.32Å; S424-F427 PolarHBondContact O-N 3.47Å; S424-T428 WeakPolarHBondContact O-CG2 3.39Å; S424-T428 PolarHBondContact O-N 3.21Å; S424-T428 PolarHBondContact O-OG1 3.46Å
425	L	96.3	Very high	94.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.7	-43.9	174.1	-170	66.2	0	0	0	111.1	L299 M347 W351 V367 Y421 G422 S423 F427 T428 G429	L299-L425 HydrophobicContact CD1-CD1 3.67Å; M347-L425 HydrophobicContact CE-CD2 4.27Å; W351-L425 HydrophobicContact CB-CD1 3.95Å; W351-L425 HydrophobicContact CB-CD2 4.33Å; W351-L425 HydrophobicContact CD2-CD1 3.9Å; W351-L425 HydrophobicContact CD2-CD2 4.36Å; W351-L425 HydrophobicContact CD2-CG 4.04Å; W351-L425 HydrophobicContact CE3-CD1 4.06Å; W351-L425 HydrophobicContact CE3-CD2 3.75Å; W351-L425 HydrophobicContact CE3-CG 3.66Å; W351-L425 HydrophobicContact CG-CD1 3.84Å; W351-L425 HydrophobicContact CG-CG 4.42Å; W351-L425 HydrophobicContact CZ3-CG 4.25Å; V367-L425 HydrophobicContact CB-CD2 4.47Å; V367-L425 HydrophobicContact CG1-CD2 3.93Å; V367-L425 HydrophobicContact CG2-CD2 4.49Å; Y421-L425 PolarHBondContact O-N 3Å; G422-L425 WeakPolarHBondContact O-CB 3.5Å; G422-L425 PolarHBondContact O-N 3.3Å; S423-L425 VanDerWaalsContact C-N 3.31Å; S423-L425 PolarHBondContact O-N 3.18Å; L425-F427 PolarHBondContact O-N 2.67Å; L425-T428 PolarHBondContact O-N 3.45Å; L425-T428 PolarHBondContact O-OG1 3.49Å; L425-G429 PolarHBondContact O-N 2.97Å
426	V	96.9	Very high	94.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.9	-47.4	176	173.9	0	0	0	0	111.6	A22 P25 V360 T364 G422 S423 S424 T428 G429 Y430	A22-V426 HydrophobicContact CB-CG1 4.36Å; A22-V426 HydrophobicContact CB-CG2 3.76Å; P25-V426 HydrophobicContact CB-CB 4.32Å; P25-V426 HydrophobicContact CB-CG1 4.05Å; P25-V426 HydrophobicContact CG-CG1 4.13Å; V360-V426 HydrophobicContact CG1-CG1 4.07Å; T364-V426 HydrophobicContact CG2-CG2 3.78Å; G422-V426 WeakPolarHBondContact O-CG2 3.36Å; G422-V426 PolarHBondContact O-N 3.45Å; G422-V426 VanDerWaalsContact O-N 3.13Å; S423-V426 WeakPolarHBondContact O-CB 3.47Å; S423-V426 PolarHBondContact O-N 3.25Å; S424-V426 VanDerWaalsContact C-N 3.34Å; S424-V426 PolarHBondContact O-N 3.32Å; V426-T428 PolarHBondContact O-N 2.95Å; V426-G429 WeakPolarHBondContact O-CA 3.27Å; V426-G429 PolarHBondContact O-N 2.94Å; V426-G429 VanDerWaalsContact O-N 3.15Å; V426-Y430 HydrophobicContact CG1-CD2 3.86Å; V426-Y430 HydrophobicContact CG1-CE2 3.62Å; V426-Y430 VanDerWaalsContact O-CD2 3.31Å; V426-Y430 WeakPolarHBondContact O-CD2 3.28Å; V426-Y430 PolarHBondContact O-N 3.27Å
427	F	94.9	Very high	93.6	Very high	89 Å²	89	26.4 Å²	26.4	39%	0.39	13%	0.127	S	C	.	.	H	α-helix	trans	-61.3	-46.2	178.2	-74.1	-62.3	0	0	0	112.1	P25 V26 A29 S423 S424 L425 G429 Y430 I431	P25-F427 HydrophobicContact CB-CE2 4.06Å; P25-F427 HydrophobicContact CB-CZ 4.02Å; P25-F427 HydrophobicContact CG-CE1 4.44Å; P25-F427 HydrophobicContact CG-CZ 4.2Å; V26-F427 HydrophobicContact CG2-CZ 3.96Å; A29-F427 HydrophobicContact CB-CE2 4.44Å; S423-F427 WeakPolarHBondContact O-CD2 3.34Å; S423-F427 PolarHBondContact O-N 3.34Å; S424-F427 PolarHBondContact O-N 3.47Å; L425-F427 PolarHBondContact O-N 2.67Å; F427-G429 PolarHBondContact O-N 2.88Å; F427-Y430 PolarHBondContact O-N 3.3Å; F427-I431 WeakPolarHBondContact O-CG1 3.34Å; F427-I431 PolarHBondContact O-N 2.76Å; F427-I431 VanDerWaalsContact O-N 3.14Å
428	T	92.8	Very high	93	Very high	16 Å²	16	26.8 Å²	26.8	10%	0.098	13%	0.13	C	C	.	.	H	α-helix	trans	-69.2	-22.6	176.4	62.6	0	0	0	0	113.2	K296 L299 S424 L425 V426 E432	K296-T428 PolarHBondContact NZ-O 2.99Å; L299-T428 HydrophobicContact CD2-CG2 3.71Å; L299-T428 HydrophobicContact CG-CG2 3.89Å; S424-T428 WeakPolarHBondContact O-CG2 3.39Å; S424-T428 PolarHBondContact O-N 3.21Å; S424-T428 PolarHBondContact O-OG1 3.46Å; L425-T428 PolarHBondContact O-N 3.45Å; L425-T428 PolarHBondContact O-OG1 3.49Å; V426-T428 PolarHBondContact O-N 2.95Å; T428-E432 PolarHBondContact O-N 3.38Å
429	G	92.6	Very high	92.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-70.7	-39.1	170.3	0	0	0	0	0	112.6	L425 V426 F427 E432 N433	L425-G429 PolarHBondContact O-N 2.97Å; V426-G429 WeakPolarHBondContact O-CA 3.27Å; V426-G429 PolarHBondContact O-N 2.94Å; V426-G429 VanDerWaalsContact O-N 3.15Å; F427-G429 PolarHBondContact O-N 2.88Å; G429-E432 PolarHBondContact O-N 3.27Å; G429-N433 WeakPolarHBondContact O-CB 3.34Å; G429-N433 PolarHBondContact O-N 3.4Å
430	Y	93	Very high	91.9	Very high	68 Å²	68	34.8 Å²	34.8	27%	0.267	17%	0.165	S	C	.	.	H	α-helix	trans	-67.5	-36.2	173.5	-81.5	-66	0	0	0	113	V360 V426 F427 N433 N434	V360-Y430 HydrophobicContact CB-CD1 4.32Å; V360-Y430 HydrophobicContact CB-CE1 4.04Å; V360-Y430 HydrophobicContact CB-CE2 4.25Å; V360-Y430 HydrophobicContact CG1-CD2 3.94Å; V360-Y430 HydrophobicContact CG1-CE1 4.48Å; V360-Y430 HydrophobicContact CG1-CE2 3.84Å; V360-Y430 HydrophobicContact CG1-CG 4.31Å; V360-Y430 HydrophobicContact CG2-CD1 3.81Å; V360-Y430 HydrophobicContact CG2-CE1 3.96Å; V360-Y430 HydrophobicContact CG2-CG 4.12Å; V426-Y430 HydrophobicContact CG1-CD2 3.86Å; V426-Y430 HydrophobicContact CG1-CE2 3.62Å; V426-Y430 VanDerWaalsContact O-CD2 3.31Å; V426-Y430 WeakPolarHBondContact O-CD2 3.28Å; V426-Y430 PolarHBondContact O-N 3.27Å; F427-Y430 PolarHBondContact O-N 3.3Å; Y430-N433 PolarHBondContact O-N 2.88Å; Y430-N434 VanDerWaalsContact O-CB 3.28Å; Y430-N434 WeakPolarHBondContact O-CB 3.27Å; Y430-N434 PolarHBondContact O-N 3.37Å; Y430-N434 PolarHBondContact O-ND2 3.05Å; Y430-N434 VanDerWaalsContact O-ND2 3.1Å
431	I	91.7	Very high	91.3	Very high	34 Å²	34	36.6 Å²	36.6	17%	0.174	18%	0.18	C	C	.	.	H	α-helix	trans	-61.1	-46.4	173.3	-66.5	170.1	0	0	0	110.2	F427 N434 Y435 Q436	F427-I431 WeakPolarHBondContact O-CG1 3.34Å; F427-I431 PolarHBondContact O-N 2.76Å; F427-I431 VanDerWaalsContact O-N 3.14Å; I431-N434 PolarHBondContact O-N 3.19Å; I431-Y435 PolarHBondContact O-N 2.97Å; I431-Q436 HydrophobicContact CG2-CB 3.74Å; I431-Q436 WeakPolarHBondContact O-CB 3.31Å; I431-Q436 PolarHBondContact O-N 3.09Å
432	E	88.9	Confident	90.7	Very high	16 Å²	16	45.8 Å²	45.8	8%	0.075	21%	0.214	C	C	.	.	H	α-helix	trans	-62.2	-49.2	176.7	-174.9	-172.1	141.6	0	0	111.7	V293 K296 W351 R363 T428 G429 N434 Y435	V293-E432 HydrophobicContact CG1-CG 4.44Å; K296-E432 WeakPolarHBondContact CE-OE2 3.35Å; K296-E432 IonicContact NZ-OE2 3.24Å; K296-E432 PolarHBondContact NZ-OE2 2.97Å; W351-E432 PolarHBondContact NE1-OE2 2.72Å; R363-E432 IonicContact CZ-OE1 3.91Å; R363-E432 VanDerWaalsContact CZ-OE1 3.29Å; R363-E432 IonicContact NH1-OE1 3.6Å; R363-E432 PolarHBondContact NH1-OE1 2.81Å; R363-E432 IonicContact NH2-OE1 2.85Å; R363-E432 PolarHBondContact NH2-OE1 3.14Å; R363-E432 IonicContact NH2-OE2 2.87Å; T428-E432 PolarHBondContact O-N 3.38Å; G429-E432 PolarHBondContact O-N 3.27Å; E432-N434 PolarHBondContact O-N 3.22Å; E432-Y435 PolarHBondContact O-N 2.84Å
433	N	87.9	Confident	90	Very high	75 Å²	75	53.6 Å²	53.6	40%	0.401	25%	0.248	S	C	.	.	H	α-helix	trans	-61.8	-31.4	179.3	-172	86.1	0	0	0	112.9	V360 G429 Y430 Y435	V360-N433 HydrophobicContact CG2-CB 3.87Å; G429-N433 WeakPolarHBondContact O-CB 3.34Å; G429-N433 PolarHBondContact O-N 3.4Å; Y430-N433 PolarHBondContact O-N 2.88Å; N433-Y435 PolarHBondContact O-N 2.96Å
434	N	88	Confident	89.3	Confident	80 Å²	80	54.2 Å²	54.2	43%	0.428	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	6.5	176.5	-68.6	-26.3	0	0	0	113.3	Y430 I431 E432 Q436	Y430-N434 VanDerWaalsContact O-CB 3.28Å; Y430-N434 WeakPolarHBondContact O-CB 3.27Å; Y430-N434 PolarHBondContact O-N 3.37Å; Y430-N434 PolarHBondContact O-ND2 3.05Å; Y430-N434 VanDerWaalsContact O-ND2 3.1Å; I431-N434 PolarHBondContact O-N 3.19Å; E432-N434 PolarHBondContact O-N 3.22Å; N434-Q436 VanDerWaalsContact C-N 3.28Å; N434-Q436 HydrophobicContact CB-CG 3.95Å; N434-Q436 PolarHBondContact O-N 3.23Å
435	Y	85.8	Confident	88.4	Confident	61 Å²	61	55.6 Å²	55.6	24%	0.239	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	45	-178.1	-146.9	-97.4	0	0	0	112.7	V293 I431 E432 N433 V444 A463 F465	V293-Y435 HydrophobicContact CG1-CD2 4.16Å; V293-Y435 HydrophobicContact CG1-CE2 4.4Å; V293-Y435 HydrophobicContact CG2-CD1 4.23Å; V293-Y435 HydrophobicContact CG2-CD2 4.46Å; V293-Y435 HydrophobicContact CG2-CE1 4.03Å; V293-Y435 HydrophobicContact CG2-CE2 4.3Å; V293-Y435 HydrophobicContact CG2-CG 4.43Å; I431-Y435 PolarHBondContact O-N 2.97Å; E432-Y435 PolarHBondContact O-N 2.84Å; N433-Y435 PolarHBondContact O-N 2.96Å; Y435-V444 HydrophobicContact CD1-CB 3.94Å; Y435-V444 HydrophobicContact CE1-CB 3.99Å; Y435-V444 HydrophobicContact CE1-CG1 4.15Å; Y435-V444 PolarHBondContact O-N 3.48Å; Y435-A463 HydrophobicContact CE1-CB 4.39Å; Y435-A463 WeakPolarHBondContact OH-CB 3.47Å; Y435-F465 HydrophobicContact CD1-CE1 4.15Å; Y435-F465 HydrophobicContact CD1-CZ 4.17Å; Y435-F465 HydrophobicContact CE1-CD1 4.15Å; Y435-F465 AromaticContact CE1-CE1 3.35Å; Y435-F465 HydrophobicContact CE1-CE1 3.35Å; Y435-F465 AromaticContact CE1-CE2 3.86Å; Y435-F465 HydrophobicContact CE1-CE2 3.86Å; Y435-F465 AromaticContact CE1-CZ 3.18Å; Y435-F465 HydrophobicContact CE1-CZ 3.18Å; Y435-F465 HydrophobicContact CE2-CD1 4.45Å; Y435-F465 HydrophobicContact CE2-CE1 4.33Å; Y435-F465 AromaticContact CZ-CD1 3.76Å; Y435-F465 AromaticContact CZ-CE1 3.44Å; Y435-F465 VanDerWaalsContact CZ-CE1 3.44Å; Y435-F465 AromaticContact CZ-CE2 3.96Å; Y435-F465 AromaticContact CZ-CZ 3.57Å; Y435-F465 WeakPolarHBondContact OH-CD1 3.46Å; Y435-F465 VanDerWaalsContact OH-CD2 3.26Å; Y435-F465 WeakPolarHBondContact OH-CD2 3.22Å; Y435-F465 WeakPolarHBondContact OH-CE1 3.41Å; Y435-F465 VanDerWaalsContact OH-CE2 3.3Å; Y435-F465 WeakPolarHBondContact OH-CE2 3.26Å; Y435-F465 WeakPolarHBondContact OH-CG 3.43Å; Y435-F465 WeakPolarHBondContact OH-CZ 3.46Å
436	Q	88.1	Confident	87.4	Confident	40 Å²	40	62.3 Å²	62.3	19%	0.187	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-99.9	147.4	179.5	-66	175	-10.4	0	0	111	I431 N434 S438 C441 R442 K443	I431-Q436 HydrophobicContact CG2-CB 3.74Å; I431-Q436 WeakPolarHBondContact O-CB 3.31Å; I431-Q436 PolarHBondContact O-N 3.09Å; N434-Q436 VanDerWaalsContact C-N 3.28Å; N434-Q436 HydrophobicContact CB-CG 3.95Å; N434-Q436 PolarHBondContact O-N 3.23Å; Q436-S438 PolarHBondContact O-N 2.87Å; Q436-C441 PolarHBondContact OE1-O 3.49Å; Q436-R442 CarbonylContact C-O 3.51Å; Q436-R442 VanDerWaalsContact CA-O 3.31Å; Q436-R442 WeakPolarHBondContact CA-O 3.37Å; Q436-K443 HydrophobicContact CG-CG 4.18Å
437	H	86.9	Confident	86.1	Confident	10 Å²	10	64.9 Å²	64.9	5%	0.046	31%	0.306	C	S	.	.			trans	-60.8	127.1	173.9	-172.8	-59.2	0	0	0	109.7	I439 F440 C441 R442 V444 L460	H437-I439 PolarHBondContact ND1-N 3.12Å; H437-I439 PolarHBondContact O-N 3.07Å; H437-F440 AromaticContact CD2-CD2 3.96Å; H437-F440 AromaticContact CE1-CD2 3.64Å; H437-F440 AromaticContact CE1-CE2 3.93Å; H437-F440 AromaticContact CG-CD2 3.86Å; H437-F440 AromaticContact ND1-CD2 3.65Å; H437-F440 PolarHBondContact ND1-N 3.34Å; H437-F440 AromaticContact NE2-CD2 3.8Å; H437-F440 AromaticContact NE2-CE2 3.96Å; H437-F440 PolarHBondContact O-N 2.94Å; H437-C441 WeakPolarHBondContact O-CA 3.41Å; H437-C441 PolarHBondContact O-N 2.96Å; H437-R442 WeakPolarHBondContact CB-O 3.43Å; H437-R442 PolarHBondContact N-O 2.96Å; H437-V444 HydrophobicContact CB-CG2 4Å; H437-L460 PolarHBondContact NE2-O 3.12Å
438	S	85.8	Confident	85	Confident	8 Å²	8	67.4 Å²	67.4	6%	0.056	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-40.4	-175.7	55.5	0	0	0	0	115.4	C292 S295 W298 Q436	C292-S438 WeakPolarHBondContact O-CB 3.32Å; C292-S438 PolarHBondContact O-N 3.36Å; C292-S438 PolarHBondContact O-OG 2.83Å; S295-S438 WeakPolarHBondContact O-CB 3.19Å; W298-S438 VanDerWaalsContact CD1-O 3.3Å; W298-S438 PolarHBondContact NE1-O 2.77Å; Q436-S438 PolarHBondContact O-N 2.87Å
439	I	85.7	Confident	84.1	Confident	78 Å²	78	68.8 Å²	68.8	40%	0.4	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-54.6	178.6	-56.9	175.1	0	0	0	112	P297 W298 H437	P297-I439 HydrophobicContact CG-CG1 3.9Å; W298-I439 HydrophobicContact CZ2-CG2 4.29Å; W298-I439 PolarHBondContact NE1-O 3.05Å; H437-I439 PolarHBondContact ND1-N 3.12Å; H437-I439 PolarHBondContact O-N 3.07Å
440	F	85	Confident	83	Confident	127 Å²	127	69.8 Å²	69.8	56%	0.557	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-8.6	-170.9	-57.1	-63.8	0	0	0	114.7	H437 R442	H437-F440 AromaticContact CD2-CD2 3.96Å; H437-F440 AromaticContact CE1-CD2 3.64Å; H437-F440 AromaticContact CE1-CE2 3.93Å; H437-F440 AromaticContact CG-CD2 3.86Å; H437-F440 AromaticContact ND1-CD2 3.65Å; H437-F440 PolarHBondContact ND1-N 3.34Å; H437-F440 AromaticContact NE2-CD2 3.8Å; H437-F440 AromaticContact NE2-CE2 3.96Å; H437-F440 PolarHBondContact O-N 2.94Å; F440-R442 HydrophobicContact CB-CG 4.39Å; F440-R442 PolarHBondContact O-N 2.98Å; F440-R442 VanDerWaalsContact O-N 3.1Å
441	C	84.6	Confident	82.1	Confident	58 Å²	58	73 Å²	73	39%	0.392	36%	0.355	S	S	.	.			trans	54	26.6	-176	-54.4	0	0	0	0	113.8	Q436 H437	Q436-C441 PolarHBondContact OE1-O 3.49Å; H437-C441 WeakPolarHBondContact O-CA 3.41Å; H437-C441 PolarHBondContact O-N 2.96Å
442	R	85.7	Confident	81.4	Confident	193 Å²	193	79.3 Å²	79.3	73%	0.728	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-103.2	144.8	178.5	-69.7	-172.8	180	-169.9	-0.1	110.5	Q436 H437 F440 V444	Q436-R442 CarbonylContact C-O 3.51Å; Q436-R442 VanDerWaalsContact CA-O 3.31Å; Q436-R442 WeakPolarHBondContact CA-O 3.37Å; H437-R442 WeakPolarHBondContact CB-O 3.43Å; H437-R442 PolarHBondContact N-O 2.96Å; F440-R442 HydrophobicContact CB-CG 4.39Å; F440-R442 PolarHBondContact O-N 2.98Å; F440-R442 VanDerWaalsContact O-N 3.1Å; R442-V444 PolarHBondContact O-N 3.31Å
443	K	84.6	Confident	80.9	Confident	165 Å²	165	82.8 Å²	82.8	72%	0.717	40%	0.399	S	S	*	.	B	Isolated β-bridge	trans	-56.4	131	177.4	-69.5	-173	175.7	-175.2	0	110.8	Q436	Q436-K443 HydrophobicContact CG-CG 4.18Å
444	V	82.4	Confident	80.6	Confident	12 Å²	12	82.3 Å²	82.3	7%	0.073	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-79	128.5	175.1	179.2	0	0	0	0	108.4	V293 Y435 H437 R442 L461 A463	V293-V444 HydrophobicContact CG2-CB 4.28Å; V293-V444 HydrophobicContact CG2-CG2 3.67Å; Y435-V444 HydrophobicContact CD1-CB 3.94Å; Y435-V444 HydrophobicContact CE1-CB 3.99Å; Y435-V444 HydrophobicContact CE1-CG1 4.15Å; Y435-V444 PolarHBondContact O-N 3.48Å; H437-V444 HydrophobicContact CB-CG2 4Å; R442-V444 PolarHBondContact O-N 3.31Å; V444-L461 HydrophobicContact CB-CD2 4.35Å; V444-L461 HydrophobicContact CG1-CD2 3.95Å; V444-L461 HydrophobicContact CG2-CD2 3.98Å; V444-A463 HydrophobicContact CG1-CB 4.33Å
445	P	77.7	Confident	80.2	Confident	38 Å²	38	82.2 Å²	82.2	25%	0.247	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-62.5	152.9	176.4	-17.2	29	0	0	0	111.8	A449 L450	P445-A449 HydrophobicContact CB-CB 4.14Å; P445-L450 HydrophobicContact CB-CD1 3.78Å; P445-L450 HydrophobicContact CG-CD1 3.82Å
446	K	76.3	Confident	79.8	Confident	141 Å²	141	87.3 Å²	87.3	61%	0.613	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-58.8	155.9	171.8	-70.3	-172.3	175.5	-168.3	0	111.4	E448 A449 L450	K446-E448 PolarHBondContact O-N 3.38Å; K446-A449 PolarHBondContact O-N 2.94Å; K446-A449 VanDerWaalsContact O-N 3.11Å; K446-L450 PolarHBondContact O-N 2.87Å; K446-L450 VanDerWaalsContact O-N 3.14Å
447	P	69.1	Low	79.2	Confident	53 Å²	53	88.8 Å²	88.8	34%	0.344	43%	0.433	S	S	.	.	H	α-helix	trans	-53.4	-41.4	-177	-22.7	31.9	0	0	0	112.8	A449 L450 Q451 F465	P447-A449 PolarHBondContact O-N 3.2Å; P447-L450 WeakPolarHBondContact O-CA 3.38Å; P447-L450 WeakPolarHBondContact O-CB 3.27Å; P447-L450 PolarHBondContact O-N 3.36Å; P447-Q451 PolarHBondContact O-N 3.44Å; P447-Q451 VanDerWaalsContact O-N 3.1Å; P447-F465 VanDerWaalsContact CD-CE2 3.49Å; P447-F465 HydrophobicContact CG-CD1 4.38Å; P447-F465 HydrophobicContact CG-CD2 3.41Å; P447-F465 VanDerWaalsContact CG-CD2 3.41Å; P447-F465 HydrophobicContact CG-CE1 4.49Å; P447-F465 HydrophobicContact CG-CE2 3.52Å; P447-F465 HydrophobicContact CG-CG 3.85Å; P447-F465 HydrophobicContact CG-CZ 4.08Å
448	E	72.6	Confident	78.5	Confident	143 Å²	143	93.3 Å²	93.3	67%	0.668	45%	0.45	S	S	*	.	H	α-helix	trans	-56.2	-49.5	179.6	-61	149	179.3	0	0	111.4	K446 L450 Q451	K446-E448 PolarHBondContact O-N 3.38Å; E448-L450 VanDerWaalsContact C-N 3.26Å; E448-L450 PolarHBondContact O-N 3.49Å; E448-Q451 PolarHBondContact O-N 2.61Å
449	A	72.9	Confident	77.9	Confident	45 Å²	45	100.7 Å²	100.7	37%	0.372	48%	0.482	S	S	.	.	H	α-helix	trans	-71.3	-21.7	178.2	0	0	0	0	0	112.9	P445 K446 P447	P445-A449 HydrophobicContact CB-CB 4.14Å; K446-A449 PolarHBondContact O-N 2.94Å; K446-A449 VanDerWaalsContact O-N 3.11Å; P447-A449 PolarHBondContact O-N 3.2Å
450	L	70.9	Confident	77.1	Confident	21 Å²	21	100.9 Å²	100.9	11%	0.11	48%	0.483	C	S	.	.	H	α-helix	trans	-76.7	-30.2	177.2	-130.3	86	0	0	0	111.9	P445 K446 P447 E448 E452 K453 Y457 R458 L461	P445-L450 HydrophobicContact CB-CD1 3.78Å; P445-L450 HydrophobicContact CG-CD1 3.82Å; K446-L450 PolarHBondContact O-N 2.87Å; K446-L450 VanDerWaalsContact O-N 3.14Å; P447-L450 WeakPolarHBondContact O-CA 3.38Å; P447-L450 WeakPolarHBondContact O-CB 3.27Å; P447-L450 PolarHBondContact O-N 3.36Å; E448-L450 VanDerWaalsContact C-N 3.26Å; E448-L450 PolarHBondContact O-N 3.49Å; L450-E452 PolarHBondContact O-N 3.42Å; L450-K453 WeakPolarHBondContact O-CB 3.45Å; L450-K453 PolarHBondContact O-N 3.21Å; L450-K453 VanDerWaalsContact O-N 3.08Å; L450-Y457 HydrophobicContact CD1-CE1 4.39Å; L450-R458 HydrophobicContact CD2-CB 4.45Å; L450-R458 HydrophobicContact CD2-CG 4.47Å; L450-R458 VanDerWaalsContact O-CG 3.32Å; L450-R458 WeakPolarHBondContact O-CG 3.29Å; L450-R458 PolarHBondContact O-NE 3.08Å; L450-L461 HydrophobicContact CD1-CB 3.98Å; L450-L461 HydrophobicContact CD1-CD1 4.28Å; L450-L461 HydrophobicContact CD2-CB 3.93Å; L450-L461 HydrophobicContact CG-CB 4.41Å
451	Q	72.3	Confident	76.5	Confident	135 Å²	135	95.6 Å²	95.6	63%	0.631	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-18.9	179.4	-71.8	-177.2	2.9	0	0	113.7	P447 E448 K453 R458	P447-Q451 PolarHBondContact O-N 3.44Å; P447-Q451 VanDerWaalsContact O-N 3.1Å; E448-Q451 PolarHBondContact O-N 2.61Å; Q451-K453 VanDerWaalsContact C-N 3.34Å; Q451-R458 PolarHBondContact O-NH1 3.45Å; Q451-R458 PolarHBondContact O-NH2 2.96Å
452	E	78.1	Confident	75.5	Confident	166 Å²	166	95.3 Å²	95.3	78%	0.776	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-11.5	174.5	-62.8	-177.2	168.6	0	0	113	L450	L450-E452 PolarHBondContact O-N 3.42Å
453	K	78	Confident	74.3	Confident	90 Å²	90	87 Å²	87	39%	0.391	43%	0.429	S	S	.	.	S	Bend	trans	-90.6	158.5	-172	-61.3	-66.4	-179	-166.7	0	112.2	L450 Q451 Y457 R458	L450-K453 WeakPolarHBondContact O-CB 3.45Å; L450-K453 PolarHBondContact O-N 3.21Å; L450-K453 VanDerWaalsContact O-N 3.08Å; Q451-K453 VanDerWaalsContact C-N 3.34Å; K453-Y457 HydrophobicContact CB-CD1 3.37Å; K453-Y457 HydrophobicContact CB-CE1 4.02Å; K453-Y457 HydrophobicContact CB-CG 4.1Å; K453-Y457 HydrophobicContact CD-CD1 4.19Å; K453-Y457 HydrophobicContact CD-CE1 4.11Å; K453-Y457 HydrophobicContact CG-CD1 3.56Å; K453-Y457 HydrophobicContact CG-CE1 3.64Å; K453-R458 PolarHBondContact O-NE 2.9Å; K453-R458 PolarHBondContact O-NH2 2.87Å
454	P	83	Confident	73.1	Confident	65 Å²	65	87.1 Å²	87.1	42%	0.422	43%	0.425	S	S	.	.			trans	-64.2	156.3	177.1	25.8	-35.1	0	0	0	112.5	W456 Y457 R458	P454-W456 VanDerWaalsContact C-N 3.31Å; P454-W456 HydrophobicContact CG-CZ2 4.2Å; P454-W456 VanDerWaalsContact CG-NE1 3.29Å; P454-W456 PolarHBondContact O-N 2.9Å; P454-Y457 WeakPolarHBondContact O-CB 3.32Å; P454-Y457 PolarHBondContact O-N 3.05Å; P454-R458 PolarHBondContact O-N 3.28Å; P454-R458 VanDerWaalsContact O-N 3.09Å
455	A	78.1	Confident	71.6	Confident	78 Å²	78	88.8 Å²	88.8	65%	0.645	43%	0.432	S	S	*	.	H	α-helix	trans	-56.8	-39.1	-173.7	0	0	0	0	0	113.8	Y457 R458 F459	A455-Y457 VanDerWaalsContact C-N 3.29Å; A455-Y457 PolarHBondContact O-N 3.43Å; A455-R458 PolarHBondContact O-N 3.33Å; A455-F459 WeakPolarHBondContact O-CB 3.44Å; A455-F459 PolarHBondContact O-N 3.31Å
456	W	77.2	Confident	70.2	Confident	168 Å²	168	89.7 Å²	89.7	64%	0.636	44%	0.439	S	S	*	.	H	α-helix	trans	-63.2	-35.4	177	69.7	-97.1	0	0	0	112.5	P454 L460	P454-W456 VanDerWaalsContact C-N 3.31Å; P454-W456 HydrophobicContact CG-CZ2 4.2Å; P454-W456 VanDerWaalsContact CG-NE1 3.29Å; P454-W456 PolarHBondContact O-N 2.9Å; W456-L460 HydrophobicContact CE3-CD1 3.64Å; W456-L460 HydrophobicContact CZ3-CD1 3.74Å; W456-L460 PolarHBondContact O-N 3.32Å; W456-L460 VanDerWaalsContact O-N 3.15Å
457	Y	76.4	Confident	68.7	Low	70 Å²	70	91.3 Å²	91.3	28%	0.275	45%	0.449	S	S	.	.	H	α-helix	trans	-73.2	-40.6	178.2	-174.7	-92.7	0	0	0	110.9	L450 K453 P454 A455 F459 L460 L461	L450-Y457 HydrophobicContact CD1-CE1 4.39Å; K453-Y457 HydrophobicContact CB-CD1 3.37Å; K453-Y457 HydrophobicContact CB-CE1 4.02Å; K453-Y457 HydrophobicContact CB-CG 4.1Å; K453-Y457 HydrophobicContact CD-CD1 4.19Å; K453-Y457 HydrophobicContact CD-CE1 4.11Å; K453-Y457 HydrophobicContact CG-CD1 3.56Å; K453-Y457 HydrophobicContact CG-CE1 3.64Å; P454-Y457 WeakPolarHBondContact O-CB 3.32Å; P454-Y457 PolarHBondContact O-N 3.05Å; A455-Y457 VanDerWaalsContact C-N 3.29Å; A455-Y457 PolarHBondContact O-N 3.43Å; Y457-F459 VanDerWaalsContact C-N 3.35Å; Y457-L460 PolarHBondContact O-N 2.82Å; Y457-L461 HydrophobicContact CD1-CD1 3.53Å; Y457-L461 HydrophobicContact CD2-CD1 4.01Å; Y457-L461 HydrophobicContact CE1-CD1 3.05Å; Y457-L461 HydrophobicContact CE1-CG 4.49Å; Y457-L461 HydrophobicContact CE2-CD1 3.56Å; Y457-L461 HydrophobicContact CG-CD1 4.01Å; Y457-L461 WeakPolarHBondContact O-CB 3.47Å; Y457-L461 PolarHBondContact O-N 3.37Å; Y457-L461 WeakPolarHBondContact OH-CD1 3.35Å
458	R	72.8	Confident	67.4	Low	106 Å²	106	95.6 Å²	95.6	40%	0.4	47%	0.469	S	S	.	.	H	α-helix	trans	-61.4	-43.7	172.8	-63.9	-175.2	-145.8	-171	3.9	111.6	L450 Q451 K453 P454 A455 L460 L461 T462	L450-R458 HydrophobicContact CD2-CB 4.45Å; L450-R458 HydrophobicContact CD2-CG 4.47Å; L450-R458 VanDerWaalsContact O-CG 3.32Å; L450-R458 WeakPolarHBondContact O-CG 3.29Å; L450-R458 PolarHBondContact O-NE 3.08Å; Q451-R458 PolarHBondContact O-NH1 3.45Å; Q451-R458 PolarHBondContact O-NH2 2.96Å; K453-R458 PolarHBondContact O-NE 2.9Å; K453-R458 PolarHBondContact O-NH2 2.87Å; P454-R458 PolarHBondContact O-N 3.28Å; P454-R458 VanDerWaalsContact O-N 3.09Å; A455-R458 PolarHBondContact O-N 3.33Å; R458-L460 PolarHBondContact O-N 2.99Å; R458-L461 CarbonylContact O-C 3.32Å; R458-L461 VanDerWaalsContact O-C 3.32Å; R458-L461 PolarHBondContact O-N 3.12Å; R458-T462 PolarHBondContact O-N 3.19Å; R458-T462 PolarHBondContact O-OG1 2.7Å; R458-T462 VanDerWaalsContact O-OG1 3.09Å
459	F	72.8	Confident	66	Low	163 Å²	163	92.7 Å²	92.7	72%	0.715	46%	0.461	S	S	*	.	H	α-helix	trans	-58	-48.5	177.5	178.8	-100.6	0	0	0	111.5	A455 Y457 L461 T462	A455-F459 WeakPolarHBondContact O-CB 3.44Å; A455-F459 PolarHBondContact O-N 3.31Å; Y457-F459 VanDerWaalsContact C-N 3.35Å; F459-L461 VanDerWaalsContact C-N 3.28Å; F459-L461 PolarHBondContact O-N 3.2Å; F459-T462 PolarHBondContact O-N 3.24Å; F459-T462 PolarHBondContact O-OG1 3.24Å
460	L	69.5	Low	64.4	Low	81 Å²	81	95 Å²	95	42%	0.424	48%	0.48	S	S	.	.	H	α-helix	trans	-61.3	-34.3	176.3	-79.1	166.5	0	0	0	113.4	C292 H437 W456 Y457 R458	C292-L460 WeakPolarHBondContact CB-O 3.23Å; H437-L460 PolarHBondContact NE2-O 3.12Å; W456-L460 HydrophobicContact CE3-CD1 3.64Å; W456-L460 HydrophobicContact CZ3-CD1 3.74Å; W456-L460 PolarHBondContact O-N 3.32Å; W456-L460 VanDerWaalsContact O-N 3.15Å; Y457-L460 PolarHBondContact O-N 2.82Å; R458-L460 PolarHBondContact O-N 2.99Å
461	L	70.9	Confident	62.9	Low	16 Å²	16	102.5 Å²	102.5	8%	0.084	51%	0.514	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	22.7	-176.7	-74	155.1	0	0	0	113	V444 L450 Y457 R458 F459 A463	V444-L461 HydrophobicContact CB-CD2 4.35Å; V444-L461 HydrophobicContact CG1-CD2 3.95Å; V444-L461 HydrophobicContact CG2-CD2 3.98Å; L450-L461 HydrophobicContact CD1-CB 3.98Å; L450-L461 HydrophobicContact CD1-CD1 4.28Å; L450-L461 HydrophobicContact CD2-CB 3.93Å; L450-L461 HydrophobicContact CG-CB 4.41Å; Y457-L461 HydrophobicContact CD1-CD1 3.53Å; Y457-L461 HydrophobicContact CD2-CD1 4.01Å; Y457-L461 HydrophobicContact CE1-CD1 3.05Å; Y457-L461 HydrophobicContact CE1-CG 4.49Å; Y457-L461 HydrophobicContact CE2-CD1 3.56Å; Y457-L461 HydrophobicContact CG-CD1 4.01Å; Y457-L461 WeakPolarHBondContact O-CB 3.47Å; Y457-L461 PolarHBondContact O-N 3.37Å; Y457-L461 WeakPolarHBondContact OH-CD1 3.35Å; R458-L461 CarbonylContact O-C 3.32Å; R458-L461 VanDerWaalsContact O-C 3.32Å; R458-L461 PolarHBondContact O-N 3.12Å; F459-L461 VanDerWaalsContact C-N 3.28Å; F459-L461 PolarHBondContact O-N 3.2Å; L461-A463 PolarHBondContact O-N 3.36Å
462	T	65	Low	61.2	Low	53 Å²	53	100.2 Å²	100.2	33%	0.325	53%	0.527	S	S	.	.			trans	-61.7	110.3	175.2	-53.3	0	0	0	0	108	C292 R458 F459	C292-T462 PolarHBondContact N-O 3.29Å; C292-T462 PolarHBondContact SG-O 3.02Å; R458-T462 PolarHBondContact O-N 3.19Å; R458-T462 PolarHBondContact O-OG1 2.7Å; R458-T462 VanDerWaalsContact O-OG1 3.09Å; F459-T462 PolarHBondContact O-N 3.24Å; F459-T462 PolarHBondContact O-OG1 3.24Å
463	A	59.8	Low	59.3	Low	18 Å²	18	99.7 Å²	99.7	15%	0.149	53%	0.525	C	S	.	.			trans	-129.4	130.7	172.5	0	0	0	0	0	107.2	V293 Y435 V444 L461 F465	V293-A463 HydrophobicContact CG2-CB 4Å; Y435-A463 HydrophobicContact CE1-CB 4.39Å; Y435-A463 WeakPolarHBondContact OH-CB 3.47Å; V444-A463 HydrophobicContact CG1-CB 4.33Å; L461-A463 PolarHBondContact O-N 3.36Å; A463-F465 HydrophobicContact CB-CE2 4.45Å; A463-F465 PolarHBondContact O-N 3.47Å
464	R	58.5	Low	57.5	Low	168 Å²	168	104.3 Å²	104.3	63%	0.634	55%	0.548	S	S	*	.			trans	-82.2	111.6	171.4	-76.9	-173	179.2	-175.4	-0.3	107.4	D291 R294	D291-R464 PolarHBondContact OD2-N 3.48Å; D291-R464 VanDerWaalsContact OD2-N 3.14Å; R294-R464 PolarHBondContact NH1-O 2.94Å
465	F	51.6	Low	55.4	Low	46 Å²	46	103.6 Å²	103.6	20%	0.202	55%	0.547	C	S	.	.			trans	-72.7	134.3	174.4	-80.2	-98.7	0	0	0	109.3	Y435 P447 A463 E467 D468	Y435-F465 HydrophobicContact CD1-CE1 4.15Å; Y435-F465 HydrophobicContact CD1-CZ 4.17Å; Y435-F465 HydrophobicContact CE1-CD1 4.15Å; Y435-F465 AromaticContact CE1-CE1 3.35Å; Y435-F465 HydrophobicContact CE1-CE1 3.35Å; Y435-F465 AromaticContact CE1-CE2 3.86Å; Y435-F465 HydrophobicContact CE1-CE2 3.86Å; Y435-F465 AromaticContact CE1-CZ 3.18Å; Y435-F465 HydrophobicContact CE1-CZ 3.18Å; Y435-F465 HydrophobicContact CE2-CD1 4.45Å; Y435-F465 HydrophobicContact CE2-CE1 4.33Å; Y435-F465 AromaticContact CZ-CD1 3.76Å; Y435-F465 AromaticContact CZ-CE1 3.44Å; Y435-F465 VanDerWaalsContact CZ-CE1 3.44Å; Y435-F465 AromaticContact CZ-CE2 3.96Å; Y435-F465 AromaticContact CZ-CZ 3.57Å; Y435-F465 WeakPolarHBondContact OH-CD1 3.46Å; Y435-F465 VanDerWaalsContact OH-CD2 3.26Å; Y435-F465 WeakPolarHBondContact OH-CD2 3.22Å; Y435-F465 WeakPolarHBondContact OH-CE1 3.41Å; Y435-F465 VanDerWaalsContact OH-CE2 3.3Å; Y435-F465 WeakPolarHBondContact OH-CE2 3.26Å; Y435-F465 WeakPolarHBondContact OH-CG 3.43Å; Y435-F465 WeakPolarHBondContact OH-CZ 3.46Å; P447-F465 VanDerWaalsContact CD-CE2 3.49Å; P447-F465 HydrophobicContact CG-CD1 4.38Å; P447-F465 HydrophobicContact CG-CD2 3.41Å; P447-F465 VanDerWaalsContact CG-CD2 3.41Å; P447-F465 HydrophobicContact CG-CE1 4.49Å; P447-F465 HydrophobicContact CG-CE2 3.52Å; P447-F465 HydrophobicContact CG-CG 3.85Å; P447-F465 HydrophobicContact CG-CZ 4.08Å; A463-F465 HydrophobicContact CB-CE2 4.45Å; A463-F465 PolarHBondContact O-N 3.47Å; F465-E467 PolarHBondContact O-N 3.3Å; F465-D468 PolarHBondContact O-N 2.95Å
466	S	49.4	Very low	54.1	Low	58 Å²	58	105.4 Å²	105.4	41%	0.406	55%	0.546	S	S	.	.	G	3₁₀ helix	trans	-66.6	-20.3	-178.5	-57.2	0	0	0	0	112.9	R294 D468 T469	R294-S466 PolarHBondContact NH2-OG 3.13Å; S466-D468 PolarHBondContact O-N 3.46Å; S466-T469 PolarHBondContact O-N 3.13Å; S466-T469 VanDerWaalsContact O-N 3.17Å; S466-T469 PolarHBondContact O-OG1 3.03Å
467	E	43.7	Very low	52.8	Low	174 Å²	174	99.6 Å²	99.6	81%	0.813	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-66.9	-19.9	178.6	-74.8	-176.9	171.4	0	0	113.9	F465 T469 A470	F465-E467 PolarHBondContact O-N 3.3Å; E467-T469 PolarHBondContact O-N 2.92Å; E467-A470 PolarHBondContact O-N 3Å
468	D	41.8	Very low	51.9	Low	143 Å²	143	98 Å²	98	77%	0.765	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-66.6	-4	173.3	-70.9	-24.3	0	0	0	112.8	F465 S466	F465-D468 PolarHBondContact O-N 2.95Å; S466-D468 PolarHBondContact O-N 3.46Å
469	T	43.1	Very low	51.2	Low	83 Å²	83	96.8 Å²	96.8	51%	0.509	52%	0.522	S	S	.	.	G	3₁₀ helix	trans	-98.6	30.5	177.4	61.3	0	0	0	0	114.1	S466 E467 E471	S466-T469 PolarHBondContact O-N 3.13Å; S466-T469 VanDerWaalsContact O-N 3.17Å; S466-T469 PolarHBondContact O-OG1 3.03Å; E467-T469 PolarHBondContact O-N 2.92Å; T469-E471 PolarHBondContact O-N 3.16Å
470	A	39.5	Very low	50.5	Low	93 Å²	93	90.8 Å²	90.8	77%	0.769	50%	0.5	S	S	*	.			trans	-63.7	-4	179.3	0	0	0	0	0	115.2	E467	E467-A470 PolarHBondContact O-N 3Å
471	E	39.3	Very low	50.7	Low	178 Å²	178	87.2 Å²	87.2	83%	0.832	48%	0.481	S	S	*	.	S	Bend	trans	-132	94.3	-179	-65.9	-177.2	177.8	0	0	112	T469 E473	T469-E471 PolarHBondContact O-N 3.16Å; E471-E473 VanDerWaalsContact C-N 3.28Å; E471-E473 PolarHBondContact O-N 2.82Å
472	G	36.3	Very low	51.2	Low	87 Å²	87	93.1 Å²	93.1	90%	0.897	51%	0.512	S	S	*	.	S	Bend	trans	72.3	-18.9	145.2	0	0	0	0	0	120.2
473	E	38.7	Very low	52	Low	155 Å²	155	92 Å²	92	72%	0.724	50%	0.504	S	S	*	.			trans	-99.6	99.7	174.8	-70	-169.7	167.9	0	0	109.8	E471 A475	E471-E473 VanDerWaalsContact C-N 3.28Å; E471-E473 PolarHBondContact O-N 2.82Å; E473-A475 HydrophobicContact CB-CB 4.42Å; E473-A475 PolarHBondContact O-N 2.81Å
474	E	39.3	Very low	53.1	Low	188 Å²	188	91.6 Å²	91.6	88%	0.879	50%	0.499	S	S	*	.			trans	-63.6	49.2	159.2	-66.8	-177.7	158.3	0	0	110.5	N476	E474-N476 PolarHBondContact O-N 3.47Å
475	A	39.8	Very low	54.2	Low	49 Å²	49	86.1 Å²	86.1	41%	0.405	49%	0.486	S	S	.	.			trans	-65.2	88.3	170.2	0	0	0	0	0	106.6	E473 T477	E473-A475 HydrophobicContact CB-CB 4.42Å; E473-A475 PolarHBondContact O-N 2.81Å; A475-T477 PolarHBondContact O-N 2.94Å
476	N	50	Low	55.9	Low	116 Å²	116	88.7 Å²	88.7	62%	0.62	50%	0.498	S	S	*	.			trans	-44.1	113.4	175.6	-83.6	-38.7	0	0	0	107.8	E474 Y478 E479	E474-N476 PolarHBondContact O-N 3.47Å; N476-Y478 PolarHBondContact O-N 3.33Å; N476-E479 PolarHBondContact O-N 3.49Å
477	T	51.4	Low	57.7	Low	46 Å²	46	86.2 Å²	86.2	28%	0.282	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-59	-16.3	-169.9	-37	0	0	0	0	112.7	A475 E479 S480	A475-T477 PolarHBondContact O-N 2.94Å; T477-E479 PolarHBondContact O-N 3.41Å; T477-S480 WeakPolarHBondContact O-CB 3.29Å; T477-S480 PolarHBondContact O-N 3.01Å; T477-S480 VanDerWaalsContact O-N 3.14Å; T477-S480 PolarHBondContact O-OG 2.87Å
478	Y	56.9	Low	59.6	Low	38 Å²	38	81.7 Å²	81.7	15%	0.149	46%	0.457	C	S	.	.	G	3₁₀ helix	trans	-47.2	-31.8	164.4	-176.1	-122.6	0	0	0	115	R352 K353 N476 S480 H481 V484	R352-Y478 HydrophobicContact CB-CD2 3.51Å; R352-Y478 HydrophobicContact CB-CE2 3.43Å; R352-Y478 VanDerWaalsContact CB-CE2 3.43Å; R352-Y478 HydrophobicContact CG-CE2 4.47Å; R352-Y478 WeakPolarHBondContact O-CD2 3.26Å; K353-Y478 HydrophobicContact CG-CD1 4.27Å; K353-Y478 HydrophobicContact CG-CE1 3.93Å; K353-Y478 HydrophobicContact CG-CE2 4.43Å; N476-Y478 PolarHBondContact O-N 3.33Å; Y478-S480 PolarHBondContact O-N 3.36Å; Y478-S480 VanDerWaalsContact O-N 3.08Å; Y478-H481 PolarHBondContact O-N 3.16Å; Y478-V484 HydrophobicContact CD1-CG1 3.84Å; Y478-V484 HydrophobicContact CD1-CG2 4.31Å; Y478-V484 HydrophobicContact CD2-CG2 4.35Å; Y478-V484 HydrophobicContact CE1-CB 4.33Å; Y478-V484 HydrophobicContact CE1-CG1 3.61Å; Y478-V484 HydrophobicContact CE1-CG2 3.66Å; Y478-V484 HydrophobicContact CE2-CG2 3.72Å; Y478-V484 WeakPolarHBondContact OH-CG2 3.38Å
479	E	58.4	Low	61.5	Low	80 Å²	80	83.4 Å²	83.4	37%	0.374	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-64.7	-12.3	179.2	-67.5	-164.3	175.8	0	0	113.8	N476 T477 H481 K488	N476-E479 PolarHBondContact O-N 3.49Å; T477-E479 PolarHBondContact O-N 3.41Å; E479-H481 PolarHBondContact O-N 2.85Å; E479-K488 IonicContact OE1-NZ 3.84Å; E479-K488 PolarHBondContact OE1-NZ 3.05Å
480	S	58	Low	63.6	Low	36 Å²	36	86.7 Å²	86.7	25%	0.252	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-68.3	-15.4	175.3	60	0	0	0	0	114.2	M289 T477 Y478 L482	M289-S480 WeakPolarHBondContact CE-OG 3.23Å; T477-S480 WeakPolarHBondContact O-CB 3.29Å; T477-S480 PolarHBondContact O-N 3.01Å; T477-S480 VanDerWaalsContact O-N 3.14Å; T477-S480 PolarHBondContact O-OG 2.87Å; Y478-S480 PolarHBondContact O-N 3.36Å; Y478-S480 VanDerWaalsContact O-N 3.08Å; S480-L482 PolarHBondContact O-N 3.39Å
481	H	73.6	Confident	66.2	Low	7 Å²	7	84 Å²	84	3%	0.032	43%	0.427	C	S	.	.	S	Bend	trans	-74.8	125.9	-179.8	-171.2	-72.9	0	0	0	110.6	M289 R352 Y478 E479 L483 V484 C485	M289-H481 VanDerWaalsContact CE-CA 3.44Å; M289-H481 HydrophobicContact CE-CB 3.5Å; M289-H481 VanDerWaalsContact CE-CB 3.5Å; M289-H481 WeakPolarHBondContact SD-CA 3.37Å; M289-H481 HydrophobicContact SD-CB 3.49Å; M289-H481 WeakPolarHBondContact SD-CB 3.39Å; M289-H481 PolarHBondContact SD-CD2 3.23Å; R352-H481 PolarHBondContact NH1-CD2 2.75Å; R352-H481 PolarHBondContact NH1-NE2 3.06Å; Y478-H481 PolarHBondContact O-N 3.16Å; E479-H481 PolarHBondContact O-N 2.85Å; H481-L483 VanDerWaalsContact C-N 3.32Å; H481-L483 WeakPolarHBondContact ND1-CB 3.42Å; H481-L483 PolarHBondContact ND1-N 3.44Å; H481-L483 PolarHBondContact O-N 3.22Å; H481-V484 HydrophobicContact CB-CB 3.99Å; H481-V484 HydrophobicContact CB-CG2 3.65Å; H481-V484 WeakPolarHBondContact O-CA 3.19Å; H481-V484 WeakPolarHBondContact O-CB 3.27Å; H481-V484 PolarHBondContact O-N 3.44Å; H481-C485 PolarHBondContact O-N 3.37Å
482	L	80	Confident	68.6	Low	140 Å²	140	75.5 Å²	75.5	73%	0.733	39%	0.388	S	S	*	.	H	α-helix	trans	-49.8	-49.3	-176.8	-179.6	67.4	0	0	0	112.8	S480 V484 C485 F486	S480-L482 PolarHBondContact O-N 3.39Å; L482-V484 PolarHBondContact O-N 2.92Å; L482-C485 PolarHBondContact O-N 3.23Å; L482-F486 WeakPolarHBondContact O-CB 3.44Å; L482-F486 PolarHBondContact O-N 3.48Å
483	L	83.8	Confident	71.1	Confident	30 Å²	30	75.2 Å²	75.2	16%	0.157	37%	0.366	C	S	.	.	H	α-helix	trans	-65.9	-35.3	178.7	-59.1	179.2	0	0	0	113.4	H481 L487 V796 L799 Q800	H481-L483 VanDerWaalsContact C-N 3.32Å; H481-L483 WeakPolarHBondContact ND1-CB 3.42Å; H481-L483 PolarHBondContact ND1-N 3.44Å; H481-L483 PolarHBondContact O-N 3.22Å; L483-L487 WeakPolarHBondContact O-CB 3.49Å; L483-L487 PolarHBondContact O-N 3.46Å; L483-V796 HydrophobicContact CB-CG1 4.15Å; L483-V796 HydrophobicContact CB-CG2 4.39Å; L483-V796 HydrophobicContact CD1-CG1 4.42Å; L483-L799 HydrophobicContact CD1-CD2 4.37Å; L483-L799 HydrophobicContact CD2-CD2 3.77Å; L483-L799 HydrophobicContact CG-CD2 4.48Å; L483-Q800 HydrophobicContact CD1-CG 3.63Å
484	V	81.6	Confident	73.7	Confident	9 Å²	9	74.6 Å²	74.6	6%	0.055	36%	0.357	C	S	.	.	H	α-helix	trans	-67.6	-47.7	177.1	176	0	0	0	0	109	Y478 H481 L482 L487 K488 V796	Y478-V484 HydrophobicContact CD1-CG1 3.84Å; Y478-V484 HydrophobicContact CD1-CG2 4.31Å; Y478-V484 HydrophobicContact CD2-CG2 4.35Å; Y478-V484 HydrophobicContact CE1-CB 4.33Å; Y478-V484 HydrophobicContact CE1-CG1 3.61Å; Y478-V484 HydrophobicContact CE1-CG2 3.66Å; Y478-V484 HydrophobicContact CE2-CG2 3.72Å; Y478-V484 WeakPolarHBondContact OH-CG2 3.38Å; H481-V484 HydrophobicContact CB-CB 3.99Å; H481-V484 HydrophobicContact CB-CG2 3.65Å; H481-V484 WeakPolarHBondContact O-CA 3.19Å; H481-V484 WeakPolarHBondContact O-CB 3.27Å; H481-V484 PolarHBondContact O-N 3.44Å; L482-V484 PolarHBondContact O-N 2.92Å; V484-L487 PolarHBondContact O-N 3.45Å; V484-K488 VanDerWaalsContact O-CB 3.23Å; V484-K488 WeakPolarHBondContact O-CB 3.41Å; V484-K488 PolarHBondContact O-N 2.88Å; V484-V796 HydrophobicContact CB-CG2 4.43Å; V484-V796 HydrophobicContact CG2-CG1 4.44Å; V484-V796 HydrophobicContact CG2-CG2 3.73Å
485	C	81.6	Confident	76.3	Confident	53 Å²	53	65.7 Å²	65.7	36%	0.358	32%	0.315	S	S	.	.	H	α-helix	trans	-58.9	-49.1	177.4	-176.7	0	0	0	0	110.9	H481 L482 L487 R489	H481-C485 PolarHBondContact O-N 3.37Å; L482-C485 PolarHBondContact O-N 3.23Å; C485-L487 PolarHBondContact O-N 2.99Å; C485-R489 WeakPolarHBondContact O-CA 3.37Å; C485-R489 WeakPolarHBondContact O-CB 3.42Å; C485-R489 PolarHBondContact O-N 3.33Å
486	F	87.3	Confident	78.6	Confident	100 Å²	100	63.8 Å²	63.8	44%	0.439	30%	0.299	S	S	.	.	H	α-helix	trans	-56.9	-49.9	175.7	172.7	-101.2	0	0	0	112.2	L482 Y490 Y491	L482-F486 WeakPolarHBondContact O-CB 3.44Å; L482-F486 PolarHBondContact O-N 3.48Å; F486-Y490 PolarHBondContact O-N 3.25Å; F486-Y490 VanDerWaalsContact O-N 3.12Å; F486-Y491 HydrophobicContact CE1-CD2 4.27Å; F486-Y491 HydrophobicContact CE1-CG 4.37Å; F486-Y491 HydrophobicContact CZ-CD2 4.29Å; F486-Y491 PolarHBondContact O-N 2.81Å
487	L	87.4	Confident	80.6	Confident	5 Å²	5	61.5 Å²	61.5	3%	0.026	29%	0.286	C	S	.	.	I	π-helix	trans	-64.7	-49.8	-175.6	-172.2	62.5	0	0	0	111.2	L483 V484 C485 Y491 C492 L791 V796 F839	L483-L487 WeakPolarHBondContact O-CB 3.49Å; L483-L487 PolarHBondContact O-N 3.46Å; V484-L487 PolarHBondContact O-N 3.45Å; C485-L487 PolarHBondContact O-N 2.99Å; L487-Y491 HydrophobicContact CD1-CD1 3.62Å; L487-Y491 HydrophobicContact CD1-CE1 4.49Å; L487-Y491 HydrophobicContact CD1-CG 4.14Å; L487-Y491 PolarHBondContact O-N 2.82Å; L487-C492 VanDerWaalsContact O-CB 3.23Å; L487-C492 WeakPolarHBondContact O-CB 3.31Å; L487-C492 PolarHBondContact O-N 2.95Å; L487-C492 PolarHBondContact O-SG 3.29Å; L487-L791 WeakPolarHBondContact CD2-O 3.47Å; L487-V796 HydrophobicContact CD2-CG2 3.96Å; L487-F839 HydrophobicContact CD1-CE1 4.18Å
488	K	82.9	Confident	82.3	Confident	80 Å²	80	64.2 Å²	64.2	35%	0.348	30%	0.303	S	S	.	.	I	π-helix	trans	-71.2	-48.4	-176.9	-173.1	172.7	-173.4	-175.7	0	112.7	E479 V484 E792	E479-K488 IonicContact OE1-NZ 3.84Å; E479-K488 PolarHBondContact OE1-NZ 3.05Å; V484-K488 VanDerWaalsContact O-CB 3.23Å; V484-K488 WeakPolarHBondContact O-CB 3.41Å; V484-K488 PolarHBondContact O-N 2.88Å; K488-E792 HydrophobicContact CB-CG 4.22Å; K488-E792 HydrophobicContact CG-CG 4.2Å
489	R	82.6	Confident	84	Confident	178 Å²	178	71.3 Å²	71.3	67%	0.672	33%	0.331	S	S	*	.	I	π-helix	trans	-80	-33.6	-170.8	-166.1	89.4	179.6	-164.6	2.8	113.4	C485	C485-R489 WeakPolarHBondContact O-CA 3.37Å; C485-R489 WeakPolarHBondContact O-CB 3.42Å; C485-R489 PolarHBondContact O-N 3.33Å
490	Y	88.1	Confident	85.7	Confident	153 Å²	153	68.2 Å²	68.2	60%	0.6	32%	0.317	S	S	*	.	I	π-helix	trans	-118.8	-56.1	-171.5	-61.2	-79.8	0	0	0	111.8	F486 W494	F486-Y490 PolarHBondContact O-N 3.25Å; F486-Y490 VanDerWaalsContact O-N 3.12Å; Y490-W494 VanDerWaalsContact O-CB 3.25Å; Y490-W494 WeakPolarHBondContact O-CB 3.33Å; Y490-W494 PolarHBondContact O-N 3.21Å
491	Y	92.9	Very high	87.3	Confident	35 Å²	35	67.9 Å²	67.9	14%	0.137	31%	0.311	C	S	.	.	I	π-helix	trans	-69.3	-49.1	-169	-172.1	-96.6	0	0	0	113.3	F486 L487 D493 W494 I495 F839	F486-Y491 HydrophobicContact CE1-CD2 4.27Å; F486-Y491 HydrophobicContact CE1-CG 4.37Å; F486-Y491 HydrophobicContact CZ-CD2 4.29Å; F486-Y491 PolarHBondContact O-N 2.81Å; L487-Y491 HydrophobicContact CD1-CD1 3.62Å; L487-Y491 HydrophobicContact CD1-CE1 4.49Å; L487-Y491 HydrophobicContact CD1-CG 4.14Å; L487-Y491 PolarHBondContact O-N 2.82Å; Y491-D493 VanDerWaalsContact C-N 3.32Å; Y491-D493 PolarHBondContact O-N 3.48Å; Y491-W494 HydrophobicContact CD2-CE3 4.11Å; Y491-W494 HydrophobicContact CD2-CZ3 4.4Å; Y491-W494 AromaticContact CE2-CE3 3.93Å; Y491-W494 HydrophobicContact CE2-CE3 3.93Å; Y491-W494 AromaticContact CE2-CZ3 3.82Å; Y491-W494 HydrophobicContact CE2-CZ3 3.82Å; Y491-W494 PolarHBondContact O-N 3.27Å; Y491-I495 HydrophobicContact CD1-CG2 4.23Å; Y491-I495 HydrophobicContact CE1-CB 4.11Å; Y491-I495 HydrophobicContact CE1-CG1 4.44Å; Y491-I495 HydrophobicContact CE1-CG2 4Å; Y491-I495 WeakPolarHBondContact O-CG2 3.42Å; Y491-I495 PolarHBondContact O-N 3.17Å; Y491-F839 HydrophobicContact CE1-CB 4.32Å; Y491-F839 AromaticContact CE1-CD1 3.88Å; Y491-F839 HydrophobicContact CE1-CD1 3.88Å; Y491-F839 VanDerWaalsContact OH-C 3.28Å; Y491-F839 WeakPolarHBondContact OH-CB 3.32Å; Y491-F839 PolarHBondContact OH-O 2.91Å
492	C	90.2	Very high	88.3	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-58.1	-42.5	-179.2	-84.2	0	0	0	0	112.2	L487 T496 K788	L487-C492 VanDerWaalsContact O-CB 3.23Å; L487-C492 WeakPolarHBondContact O-CB 3.31Å; L487-C492 PolarHBondContact O-N 2.95Å; L487-C492 PolarHBondContact O-SG 3.29Å; C492-T496 WeakPolarHBondContact O-CB 3.49Å; C492-T496 WeakPolarHBondContact O-CG2 3.37Å; C492-T496 PolarHBondContact O-N 3.04Å; C492-T496 PolarHBondContact O-OG1 3.33Å; C492-K788 HydrophobicContact CB-CB 4.3Å; C492-K788 HydrophobicContact CB-CD 4.38Å; C492-K788 HydrophobicContact CB-CG 3.93Å
493	D	89.6	Confident	89	Confident	82 Å²	82	71.7 Å²	71.7	44%	0.439	33%	0.33	S	S	.	.	H	α-helix	trans	-68.8	-41.5	176.2	-74.6	-17.9	0	0	0	111.8	Y491 N497 K788	Y491-D493 VanDerWaalsContact C-N 3.32Å; Y491-D493 PolarHBondContact O-N 3.48Å; D493-N497 PolarHBondContact O-N 2.77Å; D493-K788 WeakPolarHBondContact OD1-CE 3.29Å; D493-K788 IonicContact OD1-NZ 2.78Å; D493-K788 PolarHBondContact OD1-NZ 3Å
494	W	93.1	Very high	89.6	Confident	142 Å²	142	70.9 Å²	70.9	54%	0.538	33%	0.327	S	S	.	.	H	α-helix	trans	-65.4	-52.2	178.3	177.4	74.3	0	0	0	112.7	Y490 Y491 T496 N497 V500	Y490-W494 VanDerWaalsContact O-CB 3.25Å; Y490-W494 WeakPolarHBondContact O-CB 3.33Å; Y490-W494 PolarHBondContact O-N 3.21Å; Y491-W494 HydrophobicContact CD2-CE3 4.11Å; Y491-W494 HydrophobicContact CD2-CZ3 4.4Å; Y491-W494 AromaticContact CE2-CE3 3.93Å; Y491-W494 HydrophobicContact CE2-CE3 3.93Å; Y491-W494 AromaticContact CE2-CZ3 3.82Å; Y491-W494 HydrophobicContact CE2-CZ3 3.82Å; Y491-W494 PolarHBondContact O-N 3.27Å; W494-T496 VanDerWaalsContact C-N 3.26Å; W494-T496 PolarHBondContact O-N 3.03Å; W494-N497 WeakPolarHBondContact O-CB 3.41Å; W494-N497 PolarHBondContact O-N 3.24Å; W494-N497 VanDerWaalsContact O-N 3.11Å; W494-V500 HydrophobicContact CD2-CG2 4.49Å; W494-V500 HydrophobicContact CG-CG2 4.4Å; W494-V500 HydrophobicContact CZ2-CG1 4.19Å; W494-V500 VanDerWaalsContact O-CG2 3.3Å; W494-V500 WeakPolarHBondContact O-CG2 3.39Å
495	I	93.6	Very high	90.2	Very high	1 Å²	1	73.3 Å²	73.3	1%	0.005	34%	0.341	C	S	.	.	H	α-helix	trans	-67.6	-28.3	-174.2	-165.7	59.5	0	0	0	112.8	Y491 V500 V504 L791 A840 P843 V844	Y491-I495 HydrophobicContact CD1-CG2 4.23Å; Y491-I495 HydrophobicContact CE1-CB 4.11Å; Y491-I495 HydrophobicContact CE1-CG1 4.44Å; Y491-I495 HydrophobicContact CE1-CG2 4Å; Y491-I495 WeakPolarHBondContact O-CG2 3.42Å; Y491-I495 PolarHBondContact O-N 3.17Å; I495-V500 HydrophobicContact CD1-CG1 4.36Å; I495-V504 HydrophobicContact CD1-CG2 4.08Å; I495-L791 HydrophobicContact CG2-CD1 4.02Å; I495-A840 HydrophobicContact CD1-CB 4.29Å; I495-P843 HydrophobicContact CG1-CB 4.31Å; I495-V844 HydrophobicContact CD1-CG2 4.14Å; I495-V844 HydrophobicContact CG1-CG2 4.28Å
496	T	88	Confident	90.9	Very high	9 Å²	9	75.4 Å²	75.4	6%	0.055	35%	0.349	C	S	.	.	H	α-helix	trans	-88.6	-6.3	178	61.2	0	0	0	0	113.7	C492 W494 T498 K501 T784 V787 K788	C492-T496 WeakPolarHBondContact O-CB 3.49Å; C492-T496 WeakPolarHBondContact O-CG2 3.37Å; C492-T496 PolarHBondContact O-N 3.04Å; C492-T496 PolarHBondContact O-OG1 3.33Å; W494-T496 VanDerWaalsContact C-N 3.26Å; W494-T496 PolarHBondContact O-N 3.03Å; T496-T498 PolarHBondContact O-N 3.14Å; T496-K501 WeakPolarHBondContact O-CE 3.38Å; T496-T784 HydrophobicContact CG2-CG2 4.1Å; T496-V787 HydrophobicContact CG2-CB 4.43Å; T496-V787 HydrophobicContact CG2-CG1 3.97Å; T496-K788 HydrophobicContact CG2-CG 4.04Å; T496-K788 WeakPolarHBondContact OG1-CE 3.47Å
497	N	90.8	Very high	91.3	Very high	68 Å²	68	74.8 Å²	74.8	36%	0.364	35%	0.346	S	S	.	.	S	Bend	trans	-63.5	133.2	178.8	-170	-24.9	0	0	0	110.9	D493 W494 Y499 V500 K501	D493-N497 PolarHBondContact O-N 2.77Å; W494-N497 WeakPolarHBondContact O-CB 3.41Å; W494-N497 PolarHBondContact O-N 3.24Å; W494-N497 VanDerWaalsContact O-N 3.11Å; N497-Y499 PolarHBondContact O-N 3.47Å; N497-Y499 VanDerWaalsContact O-N 3.15Å; N497-Y499 VanDerWaalsContact OD1-CD2 3.25Å; N497-Y499 WeakPolarHBondContact OD1-CD2 3.31Å; N497-Y499 PolarHBondContact OD1-N 3.39Å; N497-V500 HydrophobicContact CB-CG2 4.15Å; N497-V500 PolarHBondContact O-N 2.97Å; N497-K501 PolarHBondContact O-N 3.22Å
498	T	88.4	Confident	91.7	Very high	103 Å²	103	77.3 Å²	77.3	63%	0.632	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-36.4	179.5	-53.3	0	0	0	0	112.9	T496 V500 P502	T496-T498 PolarHBondContact O-N 3.14Å; T498-V500 VanDerWaalsContact C-N 3.34Å; T498-V500 PolarHBondContact O-N 3.34Å; T498-P502 WeakPolarHBondContact O-CD 3.21Å
499	Y	92.4	Very high	92.4	Very high	186 Å²	186	78.1 Å²	78.1	73%	0.729	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-23	-179.5	-59.1	-70	0	0	0	113.9	N497 F503	N497-Y499 PolarHBondContact O-N 3.47Å; N497-Y499 VanDerWaalsContact O-N 3.15Å; N497-Y499 VanDerWaalsContact OD1-CD2 3.25Å; N497-Y499 WeakPolarHBondContact OD1-CD2 3.31Å; N497-Y499 PolarHBondContact OD1-N 3.39Å; Y499-F503 VanDerWaalsContact O-CD2 3.22Å; Y499-F503 WeakPolarHBondContact O-CD2 3.45Å; Y499-F503 WeakPolarHBondContact O-CE2 3.49Å
500	V	93.6	Very high	93.1	Very high	16 Å²	16	73.4 Å²	73.4	10%	0.097	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-28.2	-178.8	177	0	0	0	0	111.3	W494 I495 N497 T498 F503 V504	W494-V500 HydrophobicContact CD2-CG2 4.49Å; W494-V500 HydrophobicContact CG-CG2 4.4Å; W494-V500 HydrophobicContact CZ2-CG1 4.19Å; W494-V500 VanDerWaalsContact O-CG2 3.3Å; W494-V500 WeakPolarHBondContact O-CG2 3.39Å; I495-V500 HydrophobicContact CD1-CG1 4.36Å; N497-V500 HydrophobicContact CB-CG2 4.15Å; N497-V500 PolarHBondContact O-N 2.97Å; T498-V500 VanDerWaalsContact C-N 3.34Å; T498-V500 PolarHBondContact O-N 3.34Å; V500-F503 WeakPolarHBondContact O-CB 3.34Å; V500-F503 PolarHBondContact O-N 2.87Å; V500-F503 VanDerWaalsContact O-N 3.15Å; V500-V504 HydrophobicContact CG1-CG2 4.05Å; V500-V504 PolarHBondContact O-N 3.45Å; V500-V504 VanDerWaalsContact O-N 3.16Å
501	K	92.4	Very high	93.6	Very high	28 Å²	28	66.9 Å²	66.9	12%	0.122	33%	0.325	C	S	.	.	H	α-helix	trans	-58.1	-45.2	-174.8	-52.6	-176.6	-176.4	-174	0	114.4	T496 N497 F503 V504 V505 V844 T847 F848	T496-K501 WeakPolarHBondContact O-CE 3.38Å; N497-K501 PolarHBondContact O-N 3.22Å; K501-F503 VanDerWaalsContact C-N 3.28Å; K501-F503 PolarHBondContact O-N 3.31Å; K501-V504 PolarHBondContact O-N 3.28Å; K501-V505 WeakPolarHBondContact O-CG2 3.42Å; K501-V505 PolarHBondContact O-N 3.13Å; K501-V844 HydrophobicContact CB-CG1 3.93Å; K501-V844 HydrophobicContact CG-CG1 4.14Å; K501-T847 VanDerWaalsContact CE-OG1 3.25Å; K501-T847 WeakPolarHBondContact CE-OG1 3.32Å; K501-T847 PolarHBondContact NZ-OG1 3.17Å; K501-F848 HydrophobicContact CB-CE1 4.3Å; K501-F848 HydrophobicContact CB-CE2 4.43Å; K501-F848 HydrophobicContact CB-CZ 3.67Å; K501-F848 HydrophobicContact CD-CE1 3.92Å; K501-F848 HydrophobicContact CD-CZ 3.99Å; K501-F848 HydrophobicContact CG-CZ 4.41Å
502	P	93.7	Very high	93.8	Very high	82 Å²	82	68 Å²	68	53%	0.532	33%	0.333	S	S	.	.	H	α-helix	trans	-59.2	-37.8	177.4	-24.5	35.2	0	0	0	112.9	T498 V505 L506	T498-P502 WeakPolarHBondContact O-CD 3.21Å; P502-V505 PolarHBondContact O-N 3.42Å; P502-L506 WeakPolarHBondContact O-CB 3.46Å; P502-L506 PolarHBondContact O-N 3.45Å
503	F	95.1	Very high	94.2	Very high	145 Å²	145	71.6 Å²	71.6	64%	0.636	36%	0.358	S	S	*	.	H	α-helix	trans	-66.9	-38.4	176.8	-64.6	-78.5	0	0	0	112.2	Y499 V500 K501 L506 F507	Y499-F503 VanDerWaalsContact O-CD2 3.22Å; Y499-F503 WeakPolarHBondContact O-CD2 3.45Å; Y499-F503 WeakPolarHBondContact O-CE2 3.49Å; V500-F503 WeakPolarHBondContact O-CB 3.34Å; V500-F503 PolarHBondContact O-N 2.87Å; V500-F503 VanDerWaalsContact O-N 3.15Å; K501-F503 VanDerWaalsContact C-N 3.28Å; K501-F503 PolarHBondContact O-N 3.31Å; F503-L506 PolarHBondContact O-N 3.05Å; F503-F507 WeakPolarHBondContact O-CB 3.47Å; F503-F507 PolarHBondContact O-N 3.5Å
504	V	95.8	Very high	94.6	Very high	14 Å²	14	72.4 Å²	72.4	9%	0.085	36%	0.358	C	S	.	.	H	α-helix	trans	-68	-39.1	176	176.5	0	0	0	0	111.4	I495 V500 K501 F507 Y508 A840 V844	I495-V504 HydrophobicContact CD1-CG2 4.08Å; V500-V504 HydrophobicContact CG1-CG2 4.05Å; V500-V504 PolarHBondContact O-N 3.45Å; V500-V504 VanDerWaalsContact O-N 3.16Å; K501-V504 PolarHBondContact O-N 3.28Å; V504-F507 PolarHBondContact O-N 3.11Å; V504-Y508 PolarHBondContact O-N 3.43Å; V504-A840 HydrophobicContact CG1-CB 4.43Å; V504-V844 HydrophobicContact CB-CB 4.32Å; V504-V844 HydrophobicContact CB-CG1 4.24Å; V504-V844 HydrophobicContact CB-CG2 3.93Å; V504-V844 HydrophobicContact CG1-CB 3.89Å; V504-V844 HydrophobicContact CG1-CG1 4.17Å; V504-V844 HydrophobicContact CG1-CG2 3.8Å; V504-V844 HydrophobicContact CG2-CG2 3.96Å
505	V	94.3	Very high	94.8	Very high	59 Å²	59	65.7 Å²	65.7	36%	0.358	33%	0.332	S	S	.	.	H	α-helix	trans	-63.2	-46.1	173.6	173.9	0	0	0	0	110.7	K501 P502 F507 Y508 L509 F848	K501-V505 WeakPolarHBondContact O-CG2 3.42Å; K501-V505 PolarHBondContact O-N 3.13Å; P502-V505 PolarHBondContact O-N 3.42Å; V505-F507 VanDerWaalsContact C-N 3.35Å; V505-F507 PolarHBondContact O-N 3.43Å; V505-Y508 PolarHBondContact O-N 2.82Å; V505-L509 HydrophobicContact CG1-CD1 4.39Å; V505-L509 WeakPolarHBondContact O-CG 3.5Å; V505-L509 PolarHBondContact O-N 3.26Å; V505-F848 HydrophobicContact CG2-CE2 3.71Å; V505-F848 HydrophobicContact CG2-CZ 4.04Å
506	L	96.1	Very high	94.9	Very high	97 Å²	97	69.5 Å²	69.5	51%	0.508	35%	0.352	S	S	.	.	H	α-helix	trans	-59.9	-44.6	175.6	-179.9	63.1	0	0	0	111.7	P502 F503 Y508 L509 I510	P502-L506 WeakPolarHBondContact O-CB 3.46Å; P502-L506 PolarHBondContact O-N 3.45Å; F503-L506 PolarHBondContact O-N 3.05Å; L506-Y508 VanDerWaalsContact C-N 3.31Å; L506-Y508 PolarHBondContact O-N 3.05Å; L506-L509 PolarHBondContact O-N 2.99Å; L506-I510 HydrophobicContact CD1-CD1 4.41Å; L506-I510 HydrophobicContact CG-CD1 4.13Å; L506-I510 WeakPolarHBondContact O-CG1 3.46Å; L506-I510 PolarHBondContact O-N 3.25Å
507	F	95.9	Very high	95.4	Very high	87 Å²	87	73.1 Å²	73.1	38%	0.382	37%	0.369	S	S	.	.	H	α-helix	trans	-58.5	-42.2	175.4	176.6	-100.9	0	0	0	111.9	F503 V504 V505 I510 Y511 F836	F503-F507 WeakPolarHBondContact O-CB 3.47Å; F503-F507 PolarHBondContact O-N 3.5Å; V504-F507 PolarHBondContact O-N 3.11Å; V505-F507 VanDerWaalsContact C-N 3.35Å; V505-F507 PolarHBondContact O-N 3.43Å; F507-I510 PolarHBondContact O-N 3.23Å; F507-Y511 WeakPolarHBondContact O-CB 3.49Å; F507-Y511 PolarHBondContact O-N 2.81Å; F507-F836 HydrophobicContact CE1-CB 4.39Å; F507-F836 AromaticContact CE1-CD1 3.86Å; F507-F836 HydrophobicContact CE1-CD1 3.86Å; F507-F836 HydrophobicContact CE1-CE1 4.45Å; F507-F836 HydrophobicContact CE1-CG 4.17Å; F507-F836 AromaticContact CZ-CD1 3.96Å; F507-F836 HydrophobicContact CZ-CD1 3.96Å; F507-F836 HydrophobicContact CZ-CE1 4.17Å; F507-F836 HydrophobicContact CZ-CG 4.25Å
508	Y	97	Very high	95.6	Very high	58 Å²	58	69.9 Å²	69.9	23%	0.227	35%	0.352	C	S	.	.	H	α-helix	trans	-66.3	-38.8	176.6	-174.5	-114.6	0	0	0	113	V504 V505 L506 I510 Y511 I512 S733 H837 I841	V504-Y508 PolarHBondContact O-N 3.43Å; V505-Y508 PolarHBondContact O-N 2.82Å; L506-Y508 VanDerWaalsContact C-N 3.31Å; L506-Y508 PolarHBondContact O-N 3.05Å; Y508-I510 VanDerWaalsContact C-N 3.35Å; Y508-Y511 AromaticContact CD2-CD1 3.84Å; Y508-Y511 HydrophobicContact CD2-CD1 3.84Å; Y508-Y511 HydrophobicContact CD2-CE1 4.43Å; Y508-Y511 AromaticContact CE2-CD1 3.88Å; Y508-Y511 HydrophobicContact CE2-CD1 3.88Å; Y508-Y511 HydrophobicContact CE2-CE1 4.05Å; Y508-Y511 WeakPolarHBondContact O-CB 3.34Å; Y508-Y511 PolarHBondContact O-N 3.17Å; Y508-I512 HydrophobicContact CD1-CD1 3.89Å; Y508-I512 HydrophobicContact CE1-CD1 3.25Å; Y508-I512 HydrophobicContact CE1-CG1 4.12Å; Y508-I512 HydrophobicContact CE2-CD1 4.16Å; Y508-I512 HydrophobicContact CE2-CG1 4.22Å; Y508-I512 VanDerWaalsContact CZ-CD1 3.42Å; Y508-I512 PolarHBondContact O-N 3.49Å; Y508-S733 WeakPolarHBondContact CE2-OG 3.31Å; Y508-S733 PolarHBondContact OH-OG 3.2Å; Y508-H837 AromaticContact CE2-NE2 3.99Å; Y508-I841 HydrophobicContact CD2-CD1 3.63Å; Y508-I841 HydrophobicContact CD2-CG1 3.97Å; Y508-I841 HydrophobicContact CD2-CG2 3.78Å; Y508-I841 HydrophobicContact CE2-CD1 4.14Å; Y508-I841 HydrophobicContact CE2-CG2 3.95Å; Y508-I841 HydrophobicContact CG-CG2 4.27Å
509	L	97.3	Very high	95.8	Very high	97 Å²	97	70.4 Å²	70.4	51%	0.508	34%	0.344	S	S	.	.	H	α-helix	trans	-63.9	-40.7	174.6	-68.7	175.2	0	0	0	111.7	V505 L506 S513	V505-L509 HydrophobicContact CG1-CD1 4.39Å; V505-L509 WeakPolarHBondContact O-CG 3.5Å; V505-L509 PolarHBondContact O-N 3.26Å; L506-L509 PolarHBondContact O-N 2.99Å; L509-S513 WeakPolarHBondContact O-CB 3.48Å; L509-S513 PolarHBondContact O-N 3.43Å; L509-S513 PolarHBondContact O-OG 3.37Å
510	I	97.7	Very high	95.9	Very high	79 Å²	79	67.9 Å²	67.9	41%	0.405	34%	0.342	S	S	.	.	H	α-helix	trans	-62.9	-48.1	173.8	-68	167.6	0	0	0	110.1	L506 F507 Y508 I512 S513 F514	L506-I510 HydrophobicContact CD1-CD1 4.41Å; L506-I510 HydrophobicContact CG-CD1 4.13Å; L506-I510 WeakPolarHBondContact O-CG1 3.46Å; L506-I510 PolarHBondContact O-N 3.25Å; F507-I510 PolarHBondContact O-N 3.23Å; Y508-I510 VanDerWaalsContact C-N 3.35Å; I510-I512 PolarHBondContact O-N 3.21Å; I510-S513 PolarHBondContact O-N 2.92Å; I510-S513 VanDerWaalsContact O-N 3.16Å; I510-F514 HydrophobicContact CG2-CD2 3.61Å; I510-F514 HydrophobicContact CG2-CE2 3.59Å; I510-F514 VanDerWaalsContact O-CD2 3.31Å; I510-F514 WeakPolarHBondContact O-CD2 3.35Å; I510-F514 PolarHBondContact O-N 3.13Å
511	Y	97.9	Very high	95.8	Very high	16 Å²	16	72.9 Å²	72.9	6%	0.063	36%	0.364	C	S	.	.	H	α-helix	trans	-54.2	-51.4	176.2	162.4	-95	0	0	0	112	F507 Y508 S513 F514 A515 S733 G737 F741 V833 H837	F507-Y511 WeakPolarHBondContact O-CB 3.49Å; F507-Y511 PolarHBondContact O-N 2.81Å; Y508-Y511 AromaticContact CD2-CD1 3.84Å; Y508-Y511 HydrophobicContact CD2-CD1 3.84Å; Y508-Y511 HydrophobicContact CD2-CE1 4.43Å; Y508-Y511 AromaticContact CE2-CD1 3.88Å; Y508-Y511 HydrophobicContact CE2-CD1 3.88Å; Y508-Y511 HydrophobicContact CE2-CE1 4.05Å; Y508-Y511 WeakPolarHBondContact O-CB 3.34Å; Y508-Y511 PolarHBondContact O-N 3.17Å; Y511-S513 VanDerWaalsContact C-N 3.3Å; Y511-S513 PolarHBondContact O-N 2.88Å; Y511-F514 PolarHBondContact O-N 3.14Å; Y511-A515 VanDerWaalsContact O-CB 3.23Å; Y511-A515 WeakPolarHBondContact O-CB 3.23Å; Y511-A515 PolarHBondContact O-N 3.14Å; Y511-S733 PolarHBondContact OH-O 2.88Å; Y511-G737 VanDerWaalsContact OH-CA 3.24Å; Y511-G737 WeakPolarHBondContact OH-CA 3.02Å; Y511-F741 AromaticContact CD2-CE2 3.49Å; Y511-F741 HydrophobicContact CD2-CE2 3.49Å; Y511-F741 VanDerWaalsContact CD2-CE2 3.49Å; Y511-F741 HydrophobicContact CD2-CZ 4.05Å; Y511-F741 HydrophobicContact CE2-CD2 4.26Å; Y511-F741 AromaticContact CE2-CE2 3.55Å; Y511-F741 HydrophobicContact CE2-CE2 3.55Å; Y511-V833 HydrophobicContact CE2-CG1 3.75Å; Y511-V833 HydrophobicContact CE2-CG2 4.28Å; Y511-V833 VanDerWaalsContact OH-CG1 3.22Å; Y511-V833 WeakPolarHBondContact OH-CG1 3.16Å; Y511-H837 AromaticContact CE1-CE1 3.77Å; Y511-H837 AromaticContact CE1-NE2 4Å; Y511-H837 AromaticContact CZ-CE1 3.55Å; Y511-H837 PolarHBondContact OH-CE1 3.45Å
512	I	97.2	Very high	95.6	Very high	59 Å²	59	74 Å²	74	30%	0.303	37%	0.373	S	S	.	.	H	α-helix	trans	-61.2	-40.3	177.7	-76.8	-179.3	0	0	0	111.2	Y508 I510 A515 L516	Y508-I512 HydrophobicContact CD1-CD1 3.89Å; Y508-I512 HydrophobicContact CE1-CD1 3.25Å; Y508-I512 HydrophobicContact CE1-CG1 4.12Å; Y508-I512 HydrophobicContact CE2-CD1 4.16Å; Y508-I512 HydrophobicContact CE2-CG1 4.22Å; Y508-I512 VanDerWaalsContact CZ-CD1 3.42Å; Y508-I512 PolarHBondContact O-N 3.49Å; I510-I512 PolarHBondContact O-N 3.21Å; I512-A515 PolarHBondContact O-N 3.01Å; I512-L516 VanDerWaalsContact O-CB 3.31Å; I512-L516 WeakPolarHBondContact O-CB 3.35Å; I512-L516 PolarHBondContact O-N 3.3Å
513	S	98.1	Very high	95.1	Very high	76 Å²	76	72.5 Å²	72.5	53%	0.531	37%	0.365	S	S	.	.	H	α-helix	trans	-64.6	-45.1	-177.9	-58.9	0	0	0	0	111.7	L509 I510 Y511 L516 M517	L509-S513 WeakPolarHBondContact O-CB 3.48Å; L509-S513 PolarHBondContact O-N 3.43Å; L509-S513 PolarHBondContact O-OG 3.37Å; I510-S513 PolarHBondContact O-N 2.92Å; I510-S513 VanDerWaalsContact O-N 3.16Å; Y511-S513 VanDerWaalsContact C-N 3.3Å; Y511-S513 PolarHBondContact O-N 2.88Å; S513-L516 PolarHBondContact O-N 2.95Å; S513-M517 PolarHBondContact O-N 2.86Å
514	F	97.7	Very high	94.2	Very high	99 Å²	99	69.9 Å²	69.9	43%	0.434	36%	0.355	S	S	.	.	H	α-helix	trans	-68.8	-39.8	174.8	-79.4	-70.8	0	0	0	112.4	I510 Y511 L516 M517 G518 F741 L744	I510-F514 HydrophobicContact CG2-CD2 3.61Å; I510-F514 HydrophobicContact CG2-CE2 3.59Å; I510-F514 VanDerWaalsContact O-CD2 3.31Å; I510-F514 WeakPolarHBondContact O-CD2 3.35Å; I510-F514 PolarHBondContact O-N 3.13Å; Y511-F514 PolarHBondContact O-N 3.14Å; F514-L516 VanDerWaalsContact C-N 3.33Å; F514-L516 PolarHBondContact O-N 3.43Å; F514-M517 HydrophobicContact CD1-CE 3.83Å; F514-M517 HydrophobicContact CE1-CE 4.23Å; F514-M517 PolarHBondContact O-N 2.93Å; F514-G518 PolarHBondContact O-N 3.48Å; F514-F741 HydrophobicContact CB-CE1 3.83Å; F514-F741 HydrophobicContact CB-CZ 3.84Å; F514-L744 HydrophobicContact CB-CD1 4.32Å; F514-L744 HydrophobicContact CD1-CD1 4.38Å
515	A	97.6	Very high	93.1	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-58.2	-46.1	174.6	0	0	0	0	0	111.4	Y511 I512 G518 Y519 F736 G740 F741	Y511-A515 VanDerWaalsContact O-CB 3.23Å; Y511-A515 WeakPolarHBondContact O-CB 3.23Å; Y511-A515 PolarHBondContact O-N 3.14Å; I512-A515 PolarHBondContact O-N 3.01Å; A515-G518 PolarHBondContact O-N 3.03Å; A515-Y519 VanDerWaalsContact O-CB 3.28Å; A515-Y519 WeakPolarHBondContact O-CB 3.29Å; A515-Y519 PolarHBondContact O-N 3.42Å; A515-F736 HydrophobicContact CB-CD1 3.73Å; A515-F736 HydrophobicContact CB-CE1 3.61Å; A515-G740 WeakPolarHBondContact O-CA 3.12Å; A515-F741 HydrophobicContact CB-CE2 4.49Å
516	L	97.1	Very high	92	Very high	82 Å²	82	67 Å²	67	43%	0.429	34%	0.338	S	S	.	.	H	α-helix	trans	-63.2	-44.4	176.5	-179.8	63.9	0	0	0	111.9	I512 S513 F514 G518 Y519 L520 F736	I512-L516 VanDerWaalsContact O-CB 3.31Å; I512-L516 WeakPolarHBondContact O-CB 3.35Å; I512-L516 PolarHBondContact O-N 3.3Å; S513-L516 PolarHBondContact O-N 2.95Å; F514-L516 VanDerWaalsContact C-N 3.33Å; F514-L516 PolarHBondContact O-N 3.43Å; L516-G518 VanDerWaalsContact C-N 3.3Å; L516-G518 PolarHBondContact O-N 2.88Å; L516-Y519 PolarHBondContact O-N 3.12Å; L516-L520 HydrophobicContact CD1-CD1 4.24Å; L516-L520 HydrophobicContact CD1-CG 4.2Å; L516-L520 HydrophobicContact CG-CD1 4.2Å; L516-L520 VanDerWaalsContact O-CG 3.29Å; L516-L520 WeakPolarHBondContact O-CG 3.38Å; L516-L520 PolarHBondContact O-N 3.06Å; L516-F736 HydrophobicContact CB-CE1 4.26Å; L516-F736 HydrophobicContact CB-CZ 3.91Å; L516-F736 HydrophobicContact CD1-CZ 3.9Å
517	M	97.5	Very high	91.1	Very high	84 Å²	84	64.9 Å²	64.9	41%	0.414	33%	0.327	S	S	.	.	H	α-helix	trans	-56.8	-44.8	175.9	-175.6	-178.3	79.4	0	0	111.7	S513 F514 Q521 L744	S513-M517 PolarHBondContact O-N 2.86Å; F514-M517 HydrophobicContact CD1-CE 3.83Å; F514-M517 HydrophobicContact CE1-CE 4.23Å; F514-M517 PolarHBondContact O-N 2.93Å; M517-Q521 WeakPolarHBondContact O-CG 3.42Å; M517-L744 HydrophobicContact CE-CD1 3.93Å; M517-L744 HydrophobicContact CE-CD2 3.42Å; M517-L744 VanDerWaalsContact CE-CD2 3.42Å; M517-L744 HydrophobicContact CE-CG 4.33Å
518	G	95.6	Very high	90.4	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-69.6	-40.9	176.4	0	0	0	0	0	113.1	F514 A515 L516 L520 Q521 V522 G740 T743	F514-G518 PolarHBondContact O-N 3.48Å; A515-G518 PolarHBondContact O-N 3.03Å; L516-G518 VanDerWaalsContact C-N 3.3Å; L516-G518 PolarHBondContact O-N 2.88Å; G518-L520 VanDerWaalsContact C-N 3.28Å; G518-L520 PolarHBondContact O-N 3.32Å; G518-Q521 PolarHBondContact O-N 3.45Å; G518-V522 PolarHBondContact O-N 3.08Å; G518-G740 WeakPolarHBondContact CA-O 3.49Å; G518-T743 WeakPolarHBondContact O-CB 3.43Å; G518-T743 WeakPolarHBondContact O-CG2 3.45Å; G518-T743 PolarHBondContact O-OG1 3.42Å
519	Y	91.7	Very high	89.8	Confident	115 Å²	115	60.5 Å²	60.5	45%	0.451	31%	0.313	S	S	.	.	H	α-helix	trans	-61.4	-36.9	-179.5	-173.2	-87.7	0	0	0	112.1	A515 L516 Q521 V522 F736 I739	A515-Y519 VanDerWaalsContact O-CB 3.28Å; A515-Y519 WeakPolarHBondContact O-CB 3.29Å; A515-Y519 PolarHBondContact O-N 3.42Å; L516-Y519 PolarHBondContact O-N 3.12Å; Y519-Q521 PolarHBondContact O-N 2.93Å; Y519-V522 VanDerWaalsContact O-CG2 3.24Å; Y519-V522 WeakPolarHBondContact O-CG2 3.24Å; Y519-V522 PolarHBondContact O-N 3.15Å; Y519-F736 AromaticContact CD1-CE2 3.95Å; Y519-F736 HydrophobicContact CD1-CE2 3.95Å; Y519-F736 AromaticContact CD2-CD2 3.7Å; Y519-F736 HydrophobicContact CD2-CD2 3.7Å; Y519-F736 AromaticContact CD2-CE2 3.7Å; Y519-F736 HydrophobicContact CD2-CE2 3.7Å; Y519-F736 HydrophobicContact CE2-CD2 4.12Å; Y519-F736 HydrophobicContact CE2-CE2 4.31Å; Y519-F736 HydrophobicContact CG-CD2 4.01Å; Y519-F736 AromaticContact CG-CE2 3.5Å; Y519-F736 HydrophobicContact CG-CE2 3.5Å; Y519-F736 HydrophobicContact CG-CZ 4.35Å; Y519-I739 HydrophobicContact CD2-CB 4.34Å; Y519-I739 HydrophobicContact CD2-CG2 3.74Å; Y519-I739 HydrophobicContact CE2-CG2 4.14Å
520	L	94.3	Very high	89.2	Confident	133 Å²	133	57.7 Å²	57.7	70%	0.696	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-11.4	176.2	-66.2	173.8	0	0	0	113.8	L516 G518	L516-L520 HydrophobicContact CD1-CD1 4.24Å; L516-L520 HydrophobicContact CD1-CG 4.2Å; L516-L520 HydrophobicContact CG-CD1 4.2Å; L516-L520 VanDerWaalsContact O-CG 3.29Å; L516-L520 WeakPolarHBondContact O-CG 3.38Å; L516-L520 PolarHBondContact O-N 3.06Å; G518-L520 VanDerWaalsContact C-N 3.28Å; G518-L520 PolarHBondContact O-N 3.32Å
521	Q	91.7	Very high	88.6	Confident	120 Å²	120	54.3 Å²	54.3	56%	0.561	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	8.1	-178.2	-66.8	178.6	-5.1	0	0	112.9	M517 G518 Y519 S523 T743	M517-Q521 WeakPolarHBondContact O-CG 3.42Å; G518-Q521 PolarHBondContact O-N 3.45Å; Y519-Q521 PolarHBondContact O-N 2.93Å; Q521-S523 PolarHBondContact O-N 2.99Å; Q521-S523 VanDerWaalsContact O-N 3.12Å; Q521-T743 VanDerWaalsContact C-CG2 3.48Å; Q521-T743 HydrophobicContact CB-CG2 3.79Å; Q521-T743 VanDerWaalsContact O-CG2 3.22Å; Q521-T743 WeakPolarHBondContact O-CG2 3.31Å
522	V	88.2	Confident	88.3	Confident	51 Å²	51	53.6 Å²	53.6	31%	0.309	28%	0.278	S	S	.	.			trans	-56.4	120.3	-175.9	170.9	0	0	0	0	109.7	G518 Y519 I739 T743 L749	G518-V522 PolarHBondContact O-N 3.08Å; Y519-V522 VanDerWaalsContact O-CG2 3.24Å; Y519-V522 WeakPolarHBondContact O-CG2 3.24Å; Y519-V522 PolarHBondContact O-N 3.15Å; V522-I739 HydrophobicContact CG2-CG2 3.57Å; V522-T743 WeakPolarHBondContact CG2-OG1 3.36Å; V522-L749 HydrophobicContact CG1-CB 4.26Å; V522-L749 HydrophobicContact CG1-CD2 4.49Å
523	S	82.7	Confident	88	Confident	52 Å²	52	50.9 Å²	50.9	36%	0.364	26%	0.264	S	S	.	.			trans	-107.8	149.3	174.1	63.2	0	0	0	0	111	Q521 L749	Q521-S523 PolarHBondContact O-N 2.99Å; Q521-S523 VanDerWaalsContact O-N 3.12Å; S523-L749 PolarHBondContact O-N 3.04Å
524	E	77.8	Confident	87.5	Confident	90 Å²	90	50 Å²	50	42%	0.421	26%	0.256	S	S	.	.	B	Isolated β-bridge	trans	-96.8	123.4	-177.4	-62.3	179.5	173	0	0	112.1	S526 R658 A693	E524-S526 PolarHBondContact O-N 3.18Å; E524-R658 PolarHBondContact O-NH2 3.4Å; E524-R658 VanDerWaalsContact O-NH2 3.07Å; E524-A693 VanDerWaalsContact CD-CB 3.45Å; E524-A693 VanDerWaalsContact OE1-CB 3.3Å; E524-A693 WeakPolarHBondContact OE1-CB 3.26Å; E524-A693 WeakPolarHBondContact OE2-CA 3.48Å; E524-A693 WeakPolarHBondContact OE2-CB 3.37Å
525	G	71.2	Confident	87.1	Confident	2 Å²	2	48.7 Å²	48.7	2%	0.021	26%	0.263	C	S	.	.			trans	-91.8	94.7	-177.9	0	0	0	0	0	111.9	Y692 E748 L749 D750	G525-Y692 WeakPolarHBondContact O-CE1 3.43Å; G525-Y692 PolarHBondContact O-OH 3.45Å; G525-E748 WeakPolarHBondContact CA-OE2 3.48Å; G525-L749 PolarHBondContact N-O 3.08Å; G525-D750 VanDerWaalsContact O-CB 3.31Å; G525-D750 WeakPolarHBondContact O-CB 3.39Å
526	S	71	Confident	86.7	Confident	10 Å²	10	48.9 Å²	48.9	7%	0.07	26%	0.264	C	S	.	.			trans	-102.3	-0.2	169.9	102.1	0	0	0	0	113.2	E524 L528 R658	E524-S526 PolarHBondContact O-N 3.18Å; S526-L528 PolarHBondContact O-N 3.27Å; S526-R658 WeakPolarHBondContact OG-CD 3.16Å; S526-R658 PolarHBondContact OG-NE 3.36Å; S526-R658 PolarHBondContact OG-NH1 3.43Å
527	D	78	Confident	86.4	Confident	52 Å²	52	45.8 Å²	45.8	28%	0.278	25%	0.248	S	C	.	.			trans	-74.2	121.8	-179.2	-168.1	-2.3	0	0	0	110.6	S529 N530	D527-S529 PolarHBondContact O-N 2.93Å; D527-S529 VanDerWaalsContact O-N 3.15Å; D527-S529 WeakPolarHBondContact OD1-CB 3.47Å; D527-S529 PolarHBondContact OD1-N 2.97Å; D527-S529 PolarHBondContact OD1-OG 2.88Å; D527-S529 WeakPolarHBondContact OD2-CB 3.47Å; D527-S529 PolarHBondContact OD2-OG 3.48Å; D527-N530 WeakPolarHBondContact O-CB 3.46Å; D527-N530 PolarHBondContact O-N 3.4Å; D527-N530 VanDerWaalsContact O-N 3.08Å
528	L	82.1	Confident	86	Confident	37 Å²	37	42 Å²	42	19%	0.194	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-67.3	-9.8	176.4	-59.8	169.3	0	0	0	111.7	L56 L257 S526 N530 I531 Y688	L56-L528 HydrophobicContact CD1-CD2 4.06Å; L257-L528 HydrophobicContact CD1-CB 4.08Å; L257-L528 HydrophobicContact CD2-CB 4.45Å; L257-L528 HydrophobicContact CD2-CD1 3.78Å; S526-L528 PolarHBondContact O-N 3.27Å; L528-N530 VanDerWaalsContact C-N 3.29Å; L528-I531 HydrophobicContact CB-CD1 4.31Å; L528-I531 HydrophobicContact CD2-CD1 3.88Å; L528-I531 WeakPolarHBondContact O-CG1 3.32Å; L528-Y688 HydrophobicContact CD1-CD1 4.03Å; L528-Y688 HydrophobicContact CD1-CD2 4.4Å; L528-Y688 HydrophobicContact CD1-CE1 3.83Å; L528-Y688 HydrophobicContact CD1-CE2 4.21Å; L528-Y688 HydrophobicContact CD1-CG 4.3Å; L528-Y688 HydrophobicContact CD2-CD1 4.11Å; L528-Y688 HydrophobicContact CD2-CE1 4.01Å; L528-Y688 HydrophobicContact CG-CD1 4.47Å; L528-Y688 HydrophobicContact CG-CE1 4.5Å
529	S	83.8	Confident	85.9	Confident	16 Å²	16	43.4 Å²	43.4	11%	0.112	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-69.3	-24.2	170.1	80	0	0	0	0	113.2	D527 I531 V532 N818	D527-S529 PolarHBondContact O-N 2.93Å; D527-S529 VanDerWaalsContact O-N 3.15Å; D527-S529 WeakPolarHBondContact OD1-CB 3.47Å; D527-S529 PolarHBondContact OD1-N 2.97Å; D527-S529 PolarHBondContact OD1-OG 2.88Å; D527-S529 WeakPolarHBondContact OD2-CB 3.47Å; D527-S529 PolarHBondContact OD2-OG 3.48Å; S529-I531 VanDerWaalsContact C-N 3.31Å; S529-I531 PolarHBondContact O-N 2.94Å; S529-V532 WeakPolarHBondContact O-CG2 3.44Å; S529-N818 PolarHBondContact O-ND2 3.2Å
530	N	84.1	Confident	85.9	Confident	38 Å²	38	42.8 Å²	42.8	20%	0.203	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-77.2	-14.1	-178.5	-71.5	-18.9	0	0	0	113.7	D527 L528 E748 N818 L819	D527-N530 WeakPolarHBondContact O-CB 3.46Å; D527-N530 PolarHBondContact O-N 3.4Å; D527-N530 VanDerWaalsContact O-N 3.08Å; L528-N530 VanDerWaalsContact C-N 3.29Å; N530-E748 PolarHBondContact ND2-OE2 3.16Å; N530-N818 CarbonylContact O-C 3.44Å; N530-N818 WeakPolarHBondContact O-CB 3.45Å; N530-L819 PolarHBondContact O-N 3.32Å; N530-L819 VanDerWaalsContact O-N 3.09Å
531	I	86	Confident	85.8	Confident	9 Å²	9	36.7 Å²	36.7	5%	0.046	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-102	-7.5	-177.1	58.2	166.7	0	0	0	113.6	V52 L56 F261 L528 S529 L819	V52-I531 HydrophobicContact CG1-CD1 4.23Å; L56-I531 HydrophobicContact CD1-CD1 3.11Å; L56-I531 HydrophobicContact CD1-CG1 4.38Å; L56-I531 HydrophobicContact CD1-CG2 4.45Å; F261-I531 HydrophobicContact CD2-CB 4.16Å; F261-I531 HydrophobicContact CD2-CD1 3.97Å; F261-I531 HydrophobicContact CD2-CG1 4.2Å; F261-I531 WeakPolarHBondContact CD2-O 3.49Å; F261-I531 HydrophobicContact CE2-CB 4.14Å; F261-I531 HydrophobicContact CE2-CD1 4.26Å; L528-I531 HydrophobicContact CB-CD1 4.31Å; L528-I531 HydrophobicContact CD2-CD1 3.88Å; L528-I531 WeakPolarHBondContact O-CG1 3.32Å; S529-I531 VanDerWaalsContact C-N 3.31Å; S529-I531 PolarHBondContact O-N 2.94Å; I531-L819 WeakPolarHBondContact O-CB 3.47Å; I531-L819 WeakPolarHBondContact O-CD1 3.48Å
532	V	91.4	Very high	85.7	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-103.3	170.6	-175.2	-61.5	0	0	0	0	112.4	L257 D260 F261 S529 I539 S817 N818	L257-V532 HydrophobicContact CD1-CG1 3.89Å; D260-V532 HydrophobicContact CB-CB 4.13Å; D260-V532 HydrophobicContact CB-CG1 4.04Å; F261-V532 HydrophobicContact CB-CG1 4.29Å; S529-V532 WeakPolarHBondContact O-CG2 3.44Å; V532-I539 HydrophobicContact CG2-CD1 3.9Å; V532-I539 HydrophobicContact CG2-CG1 3.82Å; V532-S817 PolarHBondContact O-OG 3.37Å; V532-N818 PolarHBondContact O-N 2.69Å; V532-N818 VanDerWaalsContact O-N 3.1Å
533	A	90.8	Very high	85.9	Confident	2 Å²	2	33.5 Å²	33.5	2%	0.017	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-65.4	146.9	172.2	0	0	0	0	0	111.6	T264 A535 T536 I539 P816	T264-A533 PolarHBondContact OG1-N 3.26Å; A533-A535 PolarHBondContact O-N 3.45Å; A533-T536 HydrophobicContact CB-CG2 3.59Å; A533-T536 WeakPolarHBondContact O-CB 3.23Å; A533-T536 WeakPolarHBondContact O-CG2 3.35Å; A533-T536 PolarHBondContact O-OG1 2.88Å; A533-I539 WeakPolarHBondContact O-CD1 3.05Å; A533-P816 WeakPolarHBondContact CA-O 3.36Å
534	T	88.4	Confident	86.3	Confident	57 Å²	57	31.2 Å²	31.2	35%	0.35	18%	0.179	S	C	.	.	S	Bend	trans	-70.2	-34.3	-171.4	53.9	0	0	0	0	113.6	T536 I539 P816 N818	T534-T536 PolarHBondContact O-N 3.37Å; T534-I539 WeakPolarHBondContact O-CD1 3.25Å; T534-P816 PolarHBondContact N-O 3.37Å; T534-P816 WeakPolarHBondContact OG1-CB 3.42Å; T534-P816 PolarHBondContact OG1-O 3.35Å; T534-N818 WeakPolarHBondContact CG2-OD1 3.49Å
535	A	87.7	Confident	86.9	Confident	72 Å²	72	30.1 Å²	30.1	60%	0.595	17%	0.174	S	C	*	.	S	Bend	trans	-97.9	73.8	176.3	0	0	0	0	0	110.5	K263 A533	K263-A535 PolarHBondContact NZ-O 2.85Å; A533-A535 PolarHBondContact O-N 3.45Å
536	T	90.6	Very high	87.6	Confident	4 Å²	4	35.2 Å²	35.2	3%	0.025	20%	0.197	C	C	.	.	S	Bend	trans	-134.8	156.3	-174.2	54.4	0	0	0	0	113.4	D260 K263 A533 T534 T538 I539 E540	D260-T536 HydrophobicContact CB-CG2 3.8Å; D260-T536 WeakPolarHBondContact OD1-CB 3.25Å; D260-T536 VanDerWaalsContact OD1-CG2 3.29Å; D260-T536 WeakPolarHBondContact OD1-CG2 3.42Å; D260-T536 WeakPolarHBondContact OD2-CB 3.3Å; K263-T536 HydrophobicContact CD-CG2 4.14Å; A533-T536 HydrophobicContact CB-CG2 3.59Å; A533-T536 WeakPolarHBondContact O-CB 3.23Å; A533-T536 WeakPolarHBondContact O-CG2 3.35Å; A533-T536 PolarHBondContact O-OG1 2.88Å; T534-T536 PolarHBondContact O-N 3.37Å; T536-T538 VanDerWaalsContact C-N 3.27Å; T536-T538 PolarHBondContact O-N 3.29Å; T536-I539 PolarHBondContact O-N 2.98Å; T536-I539 WeakPolarHBondContact OG1-CG1 3.03Å; T536-E540 PolarHBondContact O-N 3.4Å
537	Q	89	Confident	88.5	Confident	18 Å²	18	41 Å²	41	8%	0.084	22%	0.221	C	C	.	.	H	α-helix	trans	-63.9	-37.3	179	-178	165.7	-60.5	0	0	111.2	C234 P251 S256 D260 E540 Y541	C234-Q537 PolarHBondContact SG-NE2 2.76Å; P251-Q537 WeakPolarHBondContact O-CG 3.26Å; P251-Q537 PolarHBondContact O-NE2 3.32Å; P251-Q537 VanDerWaalsContact O-NE2 3.16Å; S256-Q537 PolarHBondContact OG-NE2 2.97Å; D260-Q537 PolarHBondContact OD2-N 2.96Å; Q537-E540 PolarHBondContact O-N 3.16Å; Q537-Y541 VanDerWaalsContact O-CB 3.27Å; Q537-Y541 WeakPolarHBondContact O-CB 3.46Å; Q537-Y541 PolarHBondContact O-N 3.29Å
538	T	90.8	Very high	89.1	Confident	3 Å²	3	39.3 Å²	39.3	2%	0.018	21%	0.211	C	C	.	.	H	α-helix	trans	-57.5	-51.1	176	-60.8	0	0	0	0	111.4	Y252 L257 D260 T536 Y541 T542	Y252-T538 HydrophobicContact CE2-CG2 4.15Å; L257-T538 HydrophobicContact CD1-CG2 4.02Å; D260-T538 VanDerWaalsContact OD2-CB 3.22Å; D260-T538 WeakPolarHBondContact OD2-CB 3.14Å; D260-T538 PolarHBondContact OD2-N 3.1Å; D260-T538 PolarHBondContact OD2-OG1 3.37Å; T536-T538 VanDerWaalsContact C-N 3.27Å; T536-T538 PolarHBondContact O-N 3.29Å; T538-Y541 PolarHBondContact O-N 3.18Å; T538-T542 HydrophobicContact CG2-CG2 4.34Å; T538-T542 VanDerWaalsContact O-CG2 3.31Å; T538-T542 WeakPolarHBondContact O-CG2 3.44Å; T538-T542 PolarHBondContact O-N 3.34Å; T538-T542 PolarHBondContact O-OG1 3.45Å; T538-T542 VanDerWaalsContact O-OG1 3.06Å
539	I	92.3	Very high	89.4	Confident	30 Å²	30	38.2 Å²	38.2	15%	0.154	21%	0.205	C	C	.	.	H	α-helix	trans	-65.1	-44.4	-179	-67.4	175.8	0	0	0	111.6	V532 A533 T534 T536 Y541 T542 T543	V532-I539 HydrophobicContact CG2-CD1 3.9Å; V532-I539 HydrophobicContact CG2-CG1 3.82Å; A533-I539 WeakPolarHBondContact O-CD1 3.05Å; T534-I539 WeakPolarHBondContact O-CD1 3.25Å; T536-I539 PolarHBondContact O-N 2.98Å; T536-I539 WeakPolarHBondContact OG1-CG1 3.03Å; I539-Y541 VanDerWaalsContact C-N 3.31Å; I539-Y541 PolarHBondContact O-N 3.23Å; I539-T542 PolarHBondContact O-N 3.4Å; I539-T542 PolarHBondContact O-OG1 3.31Å; I539-T543 VanDerWaalsContact O-CB 3.26Å; I539-T543 WeakPolarHBondContact O-CB 3.38Å; I539-T543 PolarHBondContact O-N 2.67Å; I539-T543 PolarHBondContact O-OG1 3.34Å
540	E	92.8	Very high	89.4	Confident	103 Å²	103	38.4 Å²	38.4	48%	0.481	21%	0.206	S	C	.	.	H	α-helix	trans	-62.1	-41.3	179.3	-69	-174.4	169	0	0	111.9	Y250 T536 Q537 A544	Y250-E540 HydrophobicContact CD1-CB 4.04Å; Y250-E540 HydrophobicContact CE1-CB 4.47Å; T536-E540 PolarHBondContact O-N 3.4Å; Q537-E540 PolarHBondContact O-N 3.16Å; E540-A544 WeakPolarHBondContact O-CB 3.45Å; E540-A544 PolarHBondContact O-N 3Å; E540-A544 VanDerWaalsContact O-N 3.11Å
541	Y	92.4	Very high	89.4	Confident	4 Å²	4	39.5 Å²	39.5	2%	0.016	21%	0.212	C	C	.	.	H	α-helix	trans	-68.5	-48.6	177.2	178	-90.5	0	0	0	112.2	R95 I97 Q210 Y252 Q537 T538 I539 T543 A544 Q545	R95-Y541 HydrophobicContact CB-CE2 4.05Å; R95-Y541 WeakPolarHBondContact CD-OH 3.17Å; I97-Y541 HydrophobicContact CD1-CD2 3.89Å; I97-Y541 HydrophobicContact CD1-CE2 3.63Å; I97-Y541 HydrophobicContact CG1-CD2 4.24Å; I97-Y541 HydrophobicContact CG1-CE2 3.77Å; Q210-Y541 PolarHBondContact OE1-OH 2.97Å; Y252-Y541 VanDerWaalsContact CB-CG 3.42Å; Y252-Y541 HydrophobicContact CD1-CD1 4.19Å; Y252-Y541 HydrophobicContact CD1-CE1 4.12Å; Y252-Y541 AromaticContact CD2-CD1 3.93Å; Y252-Y541 HydrophobicContact CD2-CD1 3.93Å; Y252-Y541 AromaticContact CD2-CG 3.99Å; Y252-Y541 HydrophobicContact CD2-CG 3.99Å; Y252-Y541 AromaticContact CG-CD1 3.72Å; Y252-Y541 HydrophobicContact CG-CD1 3.72Å; Y252-Y541 HydrophobicContact CG-CD2 4.14Å; Y252-Y541 HydrophobicContact CG-CE1 4.07Å; Y252-Y541 HydrophobicContact CG-CE2 4.41Å; Y252-Y541 AromaticContact CG-CG 3.77Å; Y252-Y541 HydrophobicContact CG-CG 3.77Å; Q537-Y541 VanDerWaalsContact O-CB 3.27Å; Q537-Y541 WeakPolarHBondContact O-CB 3.46Å; Q537-Y541 PolarHBondContact O-N 3.29Å; T538-Y541 PolarHBondContact O-N 3.18Å; I539-Y541 VanDerWaalsContact C-N 3.31Å; I539-Y541 PolarHBondContact O-N 3.23Å; Y541-T543 VanDerWaalsContact C-N 3.33Å; Y541-T543 PolarHBondContact O-N 2.9Å; Y541-A544 PolarHBondContact O-N 2.64Å; Y541-Q545 HydrophobicContact CE1-CB 4.38Å; Y541-Q545 WeakPolarHBondContact O-CB 3.45Å; Y541-Q545 PolarHBondContact O-N 2.62Å
542	T	89.1	Confident	89.4	Confident	26 Å²	26	40 Å²	40	16%	0.16	21%	0.213	C	C	.	.	H	α-helix	trans	-63.8	-39.7	-179.2	55.9	0	0	0	0	111.5	T538 I539 A544 Q545 Q546	T538-T542 HydrophobicContact CG2-CG2 4.34Å; T538-T542 VanDerWaalsContact O-CG2 3.31Å; T538-T542 WeakPolarHBondContact O-CG2 3.44Å; T538-T542 PolarHBondContact O-N 3.34Å; T538-T542 PolarHBondContact O-OG1 3.45Å; T538-T542 VanDerWaalsContact O-OG1 3.06Å; I539-T542 PolarHBondContact O-N 3.4Å; I539-T542 PolarHBondContact O-OG1 3.31Å; T542-A544 PolarHBondContact O-N 3.41Å; T542-Q545 PolarHBondContact O-N 3.48Å; T542-Q546 WeakPolarHBondContact O-CB 3.42Å; T542-Q546 WeakPolarHBondContact O-CG 3.42Å; T542-Q546 PolarHBondContact O-N 3.03Å
543	T	91.2	Very high	89.1	Confident	78 Å²	78	40.1 Å²	40.1	48%	0.479	21%	0.214	S	C	.	.	H	α-helix	trans	-61	-44.3	174.1	-55.1	0	0	0	0	111.3	I539 Y541 K547	I539-T543 VanDerWaalsContact O-CB 3.26Å; I539-T543 WeakPolarHBondContact O-CB 3.38Å; I539-T543 PolarHBondContact O-N 2.67Å; I539-T543 PolarHBondContact O-OG1 3.34Å; Y541-T543 VanDerWaalsContact C-N 3.33Å; Y541-T543 PolarHBondContact O-N 2.9Å; T543-K547 VanDerWaalsContact O-CB 3.25Å; T543-K547 WeakPolarHBondContact O-CB 3.26Å; T543-K547 PolarHBondContact O-N 3.12Å
544	A	91.9	Very high	88.7	Confident	4 Å²	4	41.6 Å²	41.6	3%	0.033	22%	0.223	C	C	.	.	H	α-helix	trans	-66.3	-40.3	176.3	0	0	0	0	0	111.6	I97 Y250 E540 Y541 T542 K547 Y548	I97-A544 HydrophobicContact CD1-CB 4.1Å; Y250-A544 HydrophobicContact CD1-CB 4.18Å; Y250-A544 HydrophobicContact CD2-CB 3.79Å; Y250-A544 HydrophobicContact CE1-CB 4.27Å; Y250-A544 HydrophobicContact CE2-CB 3.91Å; Y250-A544 HydrophobicContact CG-CB 3.91Å; E540-A544 WeakPolarHBondContact O-CB 3.45Å; E540-A544 PolarHBondContact O-N 3Å; E540-A544 VanDerWaalsContact O-N 3.11Å; Y541-A544 PolarHBondContact O-N 2.64Å; T542-A544 PolarHBondContact O-N 3.41Å; A544-K547 PolarHBondContact O-N 3.38Å; A544-Y548 HydrophobicContact CB-CD2 4.44Å; A544-Y548 WeakPolarHBondContact O-CD2 3.35Å; A544-Y548 PolarHBondContact O-N 3.15Å
545	Q	89.4	Confident	88.5	Confident	68 Å²	68	39.1 Å²	39.1	32%	0.318	21%	0.208	S	C	.	.	H	α-helix	trans	-62.6	-49.4	178.6	-169.5	178	17	0	0	111.3	I97 Y541 T542 K547 Y548 F549	I97-Q545 HydrophobicContact CD1-CB 4.1Å; Y541-Q545 HydrophobicContact CE1-CB 4.38Å; Y541-Q545 WeakPolarHBondContact O-CB 3.45Å; Y541-Q545 PolarHBondContact O-N 2.62Å; T542-Q545 PolarHBondContact O-N 3.48Å; Q545-K547 VanDerWaalsContact C-N 3.3Å; Q545-K547 PolarHBondContact O-N 2.79Å; Q545-Y548 PolarHBondContact O-N 2.9Å; Q545-F549 HydrophobicContact CG-CB 4.44Å; Q545-F549 WeakPolarHBondContact O-CA 3.42Å; Q545-F549 WeakPolarHBondContact O-CB 3.28Å; Q545-F549 PolarHBondContact O-N 3.46Å
546	Q	87.5	Confident	88.5	Confident	109 Å²	109	35.7 Å²	35.7	51%	0.509	18%	0.18	S	C	.	.	H	α-helix	trans	-61.5	-37.8	176.1	-74	175.5	-12.4	0	0	112	T542 S550	T542-Q546 WeakPolarHBondContact O-CB 3.42Å; T542-Q546 WeakPolarHBondContact O-CG 3.42Å; T542-Q546 PolarHBondContact O-N 3.03Å; Q546-S550 WeakPolarHBondContact O-CB 3.39Å; Q546-S550 PolarHBondContact O-OG 3.21Å
547	K	89.8	Confident	88.4	Confident	130 Å²	130	35.7 Å²	35.7	57%	0.565	18%	0.18	S	C	*	.	H	α-helix	trans	-70	-40.8	-179.5	-178	177.7	178.2	-172.8	0	113.5	T543 A544 Q545	T543-K547 VanDerWaalsContact O-CB 3.25Å; T543-K547 WeakPolarHBondContact O-CB 3.26Å; T543-K547 PolarHBondContact O-N 3.12Å; A544-K547 PolarHBondContact O-N 3.38Å; Q545-K547 VanDerWaalsContact C-N 3.3Å; Q545-K547 PolarHBondContact O-N 2.79Å
548	Y	90.6	Very high	88.5	Confident	18 Å²	18	34.9 Å²	34.9	7%	0.071	18%	0.176	C	C	.	.	H	α-helix	trans	-105.7	-22.5	-169.4	-65.8	-69.3	0	0	0	114.3	T99 G193 G194 E207 A208 A544 Q545	T99-Y548 HydrophobicContact CG2-CD2 4.09Å; T99-Y548 HydrophobicContact CG2-CE2 3.76Å; G193-Y548 CarbonylContact C-O 3.52Å; G193-Y548 WeakPolarHBondContact CA-O 3.21Å; G194-Y548 PolarHBondContact N-O 3.44Å; E207-Y548 HydrophobicContact CB-CD1 4.19Å; E207-Y548 HydrophobicContact CB-CE1 4Å; A208-Y548 HydrophobicContact CB-CD1 3.97Å; A208-Y548 HydrophobicContact CB-CD2 4.18Å; A208-Y548 HydrophobicContact CB-CG 3.71Å; A544-Y548 HydrophobicContact CB-CD2 4.44Å; A544-Y548 WeakPolarHBondContact O-CD2 3.35Å; A544-Y548 PolarHBondContact O-N 3.15Å; Q545-Y548 PolarHBondContact O-N 2.9Å
549	F	88.5	Confident	88.5	Confident	14 Å²	14	35 Å²	35	6%	0.061	18%	0.176	C	C	.	.	S	Bend	trans	-124.8	25.7	-169.7	-59.8	-88.2	0	0	0	113.5	I97 H190 L192 G193 A208 Q210 Q545	I97-F549 HydrophobicContact CD1-CD2 4.32Å; I97-F549 HydrophobicContact CD1-CE2 4.05Å; I97-F549 HydrophobicContact CG1-CE2 4.06Å; I97-F549 HydrophobicContact CG2-CE2 3.89Å; H190-F549 WeakPolarHBondContact O-CE1 2.78Å; L192-F549 VanDerWaalsContact C-CE1 3.42Å; G193-F549 VanDerWaalsContact CA-CE1 3.5Å; G193-F549 VanDerWaalsContact N-CE1 3.29Å; A208-F549 HydrophobicContact CB-CE2 4.01Å; A208-F549 HydrophobicContact CB-CZ 3.99Å; Q210-F549 HydrophobicContact CB-CE1 4.05Å; Q210-F549 HydrophobicContact CB-CE2 4.3Å; Q210-F549 HydrophobicContact CB-CZ 3.66Å; Q545-F549 HydrophobicContact CG-CB 4.44Å; Q545-F549 WeakPolarHBondContact O-CA 3.42Å; Q545-F549 WeakPolarHBondContact O-CB 3.28Å; Q545-F549 PolarHBondContact O-N 3.46Å
550	S	83.9	Confident	88.6	Confident	19 Å²	19	33.6 Å²	33.6	13%	0.133	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	2.8	-179	47.2	0	0	0	0	115.5	Q546 Y552 T653 T656	Q546-S550 WeakPolarHBondContact O-CB 3.39Å; Q546-S550 PolarHBondContact O-OG 3.21Å; S550-Y552 VanDerWaalsContact C-N 3.28Å; S550-Y552 PolarHBondContact O-N 2.95Å; S550-T653 PolarHBondContact O-OG1 3.36Å; S550-T656 WeakPolarHBondContact CB-OG1 3.23Å; S550-T656 WeakPolarHBondContact O-CG2 3.31Å; S550-T656 PolarHBondContact O-N 3.39Å
551	N	83.6	Confident	88.4	Confident	62 Å²	62	33 Å²	33	33%	0.332	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-11.5	-179.1	-66.5	-10.7	0	0	0	113.7	T653	N551-T653 CarbonylContact C-O 3.55Å; N551-T653 PolarHBondContact O-N 3.49Å; N551-T653 VanDerWaalsContact O-O 3.07Å; N551-T653 PolarHBondContact O-OG1 3.03Å
552	Y	85.3	Confident	88.2	Confident	20 Å²	20	35.2 Å²	35.2	8%	0.078	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-136.8	146.4	-180	-72.6	-72.5	0	0	0	110.6	Y175 P176 Y187 S550 V583 V650 A651 K652 T653	Y175-Y552 AromaticContact CE1-CE2 3.52Å; Y175-Y552 HydrophobicContact CE1-CE2 3.52Å; Y175-Y552 HydrophobicContact CE2-CE2 4.44Å; Y175-Y552 AromaticContact CZ-CE2 3.48Å; Y175-Y552 VanDerWaalsContact CZ-CE2 3.48Å; Y175-Y552 WeakPolarHBondContact OH-CD2 3.34Å; Y175-Y552 WeakPolarHBondContact OH-CE2 3.25Å; P176-Y552 HydrophobicContact CB-CE1 4.44Å; P176-Y552 HydrophobicContact CB-CE2 3.82Å; P176-Y552 HydrophobicContact CG-CE1 4.29Å; P176-Y552 HydrophobicContact CG-CE2 4.42Å; P176-Y552 WeakPolarHBondContact CG-OH 3.25Å; Y187-Y552 WeakPolarHBondContact OH-CB 3.25Å; Y187-Y552 WeakPolarHBondContact OH-CD2 3.41Å; Y187-Y552 VanDerWaalsContact OH-CG 3.29Å; S550-Y552 VanDerWaalsContact C-N 3.28Å; S550-Y552 PolarHBondContact O-N 2.95Å; Y552-V583 HydrophobicContact CE1-CG2 4.09Å; Y552-V650 HydrophobicContact CD1-CG1 3.88Å; Y552-V650 HydrophobicContact CG-CG1 4.11Å; Y552-A651 CarbonylContact C-O 3.45Å; Y552-A651 WeakPolarHBondContact CA-O 3.43Å; Y552-K652 HydrophobicContact CD1-CB 4.34Å; Y552-K652 HydrophobicContact CE1-CB 4.07Å; Y552-K652 HydrophobicContact CE1-CG 4.15Å; Y552-T653 WeakPolarHBondContact CA-OG1 3.23Å; Y552-T653 PolarHBondContact N-OG1 2.81Å; Y552-T653 VanDerWaalsContact N-OG1 3.17Å
553	S	85.5	Confident	88.3	Confident	2 Å²	2	37 Å²	37	1%	0.014	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-60.4	158.6	168	74.4	0	0	0	0	110.3	H190 V650 A651	H190-S553 PolarHBondContact CE1-O 3.07Å; H190-S553 PolarHBondContact NE2-O 3.42Å; H190-S553 VanDerWaalsContact NE2-O 3.13Å; S553-V650 WeakPolarHBondContact O-CG1 3.46Å; S553-A651 PolarHBondContact N-O 3.49Å; S553-A651 PolarHBondContact OG-N 3.23Å
554	P	82.7	Confident	88.2	Confident	33 Å²	33	34 Å²	34	21%	0.214	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-51.6	146.3	159.3	-22.2	33.9	0	0	0	109.7	I556 L661	P554-I556 WeakPolarHBondContact O-CG1 3.49Å; P554-I556 PolarHBondContact O-N 3.3Å; P554-L661 HydrophobicContact CG-CD2 3.8Å
555	V	84.5	Confident	88.2	Confident	5 Å²	5	38.4 Å²	38.4	3%	0.03	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-66.5	127.5	177.4	-176	0	0	0	0	110	S85 Y187 H190 F648 V650 N683	S85-V555 WeakPolarHBondContact OG-CB 3.43Å; S85-V555 WeakPolarHBondContact OG-CG1 3.48Å; Y187-V555 HydrophobicContact CE1-CG2 4.37Å; H190-V555 VanDerWaalsContact CD2-CG2 3.43Å; H190-V555 WeakPolarHBondContact CD2-CG2 3.22Å; H190-V555 WeakPolarHBondContact NE2-CG2 3.41Å; V555-F648 HydrophobicContact CG1-CB 3.62Å; V555-F648 HydrophobicContact CG1-CD1 4.05Å; V555-F648 HydrophobicContact CG1-CG 4.19Å; V555-V650 HydrophobicContact CB-CG2 4.13Å; V555-V650 HydrophobicContact CG1-CG2 4.01Å; V555-V650 HydrophobicContact CG2-CG2 3.8Å; V555-N683 PolarHBondContact O-ND2 2.82Å
556	I	86.9	Confident	88.4	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	122.2	-177.8	-54.8	177.1	0	0	0	107.5	P554 F648 L649 L664 L668 V681 F686	P554-I556 WeakPolarHBondContact O-CG1 3.49Å; P554-I556 PolarHBondContact O-N 3.3Å; I556-F648 WeakPolarHBondContact O-CA 3.37Å; I556-L649 HydrophobicContact CB-CB 4.5Å; I556-L649 PolarHBondContact N-O 3.41Å; I556-L649 PolarHBondContact O-N 2.87Å; I556-L664 HydrophobicContact CD1-CD2 3.75Å; I556-L664 HydrophobicContact CD1-CG 4.28Å; I556-L668 HydrophobicContact CD1-CD1 3.81Å; I556-L668 HydrophobicContact CG2-CD1 4.42Å; I556-V681 HydrophobicContact CG2-CB 3.81Å; I556-V681 HydrophobicContact CG2-CG1 4.22Å; I556-F686 HydrophobicContact CD1-CZ 4.02Å; I556-F686 HydrophobicContact CG1-CZ 3.95Å; I556-F686 HydrophobicContact CG2-CE2 4.17Å; I556-F686 HydrophobicContact CG2-CZ 4.34Å
557	G	88.6	Confident	88.5	Confident	3 Å²	3	32.1 Å²	32.1	3%	0.031	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	126.5	168.7	0	0	0	0	0	109.6	Y559 V681 F682	G557-Y559 VanDerWaalsContact CA-CE2 3.49Å; G557-Y559 WeakPolarHBondContact O-CD2 3.06Å; G557-Y559 VanDerWaalsContact O-CE2 3.26Å; G557-Y559 WeakPolarHBondContact O-CE2 3.24Å; G557-V681 CarbonylContact O-C 3.56Å; G557-V681 VanDerWaalsContact O-CA 3.27Å; G557-V681 WeakPolarHBondContact O-CA 3.4Å; G557-F682 PolarHBondContact N-O 3.41Å; G557-F682 PolarHBondContact O-N 3.05Å
558	F	91	Very high	88.7	Confident	1 Å²	1	28.8 Å²	28.8	0%	0.004	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	111	175.3	-177.3	-80.9	0	0	0	108.1	I560 T579 R646 M647 L649 F679 V681	F558-I560 HydrophobicContact CD1-CG1 4.17Å; F558-I560 HydrophobicContact CE1-CD1 3.91Å; F558-I560 HydrophobicContact CE1-CG1 3.64Å; F558-T579 HydrophobicContact CE2-CG2 4.32Å; F558-T579 HydrophobicContact CZ-CG2 4.35Å; F558-R646 CarbonylContact O-C 3.56Å; F558-R646 VanDerWaalsContact O-CA 3.27Å; F558-R646 WeakPolarHBondContact O-CA 3.31Å; F558-M647 HydrophobicContact CB-CG 3.74Å; F558-M647 HydrophobicContact CD1-CE 3.84Å; F558-M647 HydrophobicContact CD1-CG 3.71Å; F558-M647 HydrophobicContact CD1-SD 3.91Å; F558-M647 HydrophobicContact CE1-CE 4.03Å; F558-M647 HydrophobicContact CE1-SD 4.37Å; F558-M647 HydrophobicContact CG-CG 4.03Å; F558-M647 PolarHBondContact N-O 2.99Å; F558-M647 PolarHBondContact O-N 2.87Å; F558-L649 HydrophobicContact CB-CD1 3.83Å; F558-L649 HydrophobicContact CB-CG 3.96Å; F558-L649 HydrophobicContact CD2-CD1 3.58Å; F558-L649 HydrophobicContact CE2-CD1 4.43Å; F558-L649 HydrophobicContact CG-CD1 3.99Å; F558-F679 HydrophobicContact CD1-CB 4.46Å; F558-F679 AromaticContact CD2-CD2 3.8Å; F558-F679 HydrophobicContact CD2-CD2 3.8Å; F558-F679 HydrophobicContact CD2-CE2 4.09Å; F558-F679 HydrophobicContact CD2-CG 4.3Å; F558-F679 HydrophobicContact CE1-CB 3.86Å; F558-F679 HydrophobicContact CE1-CD1 4.39Å; F558-F679 HydrophobicContact CE1-CD2 4.46Å; F558-F679 HydrophobicContact CE1-CG 4.01Å; F558-F679 HydrophobicContact CE2-CB 4.18Å; F558-F679 AromaticContact CE2-CD1 3.85Å; F558-F679 HydrophobicContact CE2-CD1 3.85Å; F558-F679 AromaticContact CE2-CD2 3.26Å; F558-F679 HydrophobicContact CE2-CD2 3.26Å; F558-F679 AromaticContact CE2-CE1 3.97Å; F558-F679 HydrophobicContact CE2-CE1 3.97Å; F558-F679 AromaticContact CE2-CE2 3.41Å; F558-F679 HydrophobicContact CE2-CE2 3.41Å; F558-F679 VanDerWaalsContact CE2-CE2 3.41Å; F558-F679 AromaticContact CE2-CG 3.5Å; F558-F679 HydrophobicContact CE2-CG 3.5Å; F558-F679 VanDerWaalsContact CE2-CG 3.5Å; F558-F679 AromaticContact CE2-CZ 3.77Å; F558-F679 HydrophobicContact CE2-CZ 3.77Å; F558-F679 HydrophobicContact CZ-CB 3.71Å; F558-F679 AromaticContact CZ-CD1 3.48Å; F558-F679 HydrophobicContact CZ-CD1 3.48Å; F558-F679 VanDerWaalsContact CZ-CD1 3.48Å; F558-F679 AromaticContact CZ-CD2 3.65Å; F558-F679 HydrophobicContact CZ-CD2 3.65Å; F558-F679 AromaticContact CZ-CE1 3.93Å; F558-F679 HydrophobicContact CZ-CE1 3.93Å; F558-F679 HydrophobicContact CZ-CE2 4.09Å; F558-F679 AromaticContact CZ-CG 3.32Å; F558-F679 HydrophobicContact CZ-CG 3.32Å; F558-F679 HydrophobicContact CZ-CZ 4.21Å; F558-V681 HydrophobicContact CD2-CG1 3.91Å
559	Y	91.1	Very high	88.7	Confident	5 Å²	5	30.9 Å²	30.9	2%	0.02	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	116	-170.8	-51.2	-99.3	0	0	0	109.8	V70 F74 G557 R646 F679 I680 F682	V70-Y559 HydrophobicContact CG1-CD1 4.39Å; V70-Y559 HydrophobicContact CG1-CE1 3.67Å; V70-Y559 HydrophobicContact CG1-CE2 3.98Å; V70-Y559 VanDerWaalsContact CG1-CZ 3.44Å; V70-Y559 WeakPolarHBondContact CG1-OH 3.35Å; V70-Y559 HydrophobicContact CG2-CD1 4.26Å; V70-Y559 HydrophobicContact CG2-CD2 3.67Å; V70-Y559 HydrophobicContact CG2-CE1 4.22Å; V70-Y559 HydrophobicContact CG2-CE2 3.63Å; V70-Y559 HydrophobicContact CG2-CG 4Å; F74-Y559 AromaticContact CD2-CD1 3.61Å; F74-Y559 HydrophobicContact CD2-CD1 3.61Å; F74-Y559 AromaticContact CD2-CE1 3.95Å; F74-Y559 HydrophobicContact CD2-CE1 3.95Å; F74-Y559 AromaticContact CE2-CD1 3.79Å; F74-Y559 HydrophobicContact CE2-CD1 3.79Å; G557-Y559 VanDerWaalsContact CA-CE2 3.49Å; G557-Y559 WeakPolarHBondContact O-CD2 3.06Å; G557-Y559 VanDerWaalsContact O-CE2 3.26Å; G557-Y559 WeakPolarHBondContact O-CE2 3.24Å; Y559-R646 HydrophobicContact CD1-CB 3.53Å; Y559-R646 HydrophobicContact CE1-CB 3.89Å; Y559-R646 HydrophobicContact CG-CB 4.29Å; Y559-F679 CarbonylContact O-C 3.51Å; Y559-F679 WeakPolarHBondContact O-CA 3.33Å; Y559-F679 WeakPolarHBondContact O-CB 3.43Å; Y559-I680 HydrophobicContact CD2-CG1 4.04Å; Y559-I680 HydrophobicContact CG-CG1 4.18Å; Y559-I680 PolarHBondContact N-O 3.41Å; Y559-I680 PolarHBondContact O-N 3.33Å; Y559-F682 HydrophobicContact CE2-CB 3.97Å
560	I	93.7	Very high	88.9	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	112	170.1	-61.5	166.5	0	0	0	106.1	F558 E562 I564 Y566 V575 A644 S645 M647 V677 F679	F558-I560 HydrophobicContact CD1-CG1 4.17Å; F558-I560 HydrophobicContact CE1-CD1 3.91Å; F558-I560 HydrophobicContact CE1-CG1 3.64Å; I560-E562 HydrophobicContact CG2-CG 4.42Å; I560-I564 HydrophobicContact CD1-CD1 3.91Å; I560-I564 HydrophobicContact CG2-CD1 4.01Å; I560-I564 HydrophobicContact CG2-CG1 4.22Å; I560-I564 HydrophobicContact CG2-CG2 4.17Å; I560-Y566 HydrophobicContact CD1-CE1 4.36Å; I560-Y566 VanDerWaalsContact CD1-OH 3.24Å; I560-Y566 WeakPolarHBondContact CD1-OH 3.25Å; I560-V575 HydrophobicContact CD1-CG1 4.47Å; I560-V575 HydrophobicContact CD1-CG2 4.45Å; I560-A644 CarbonylContact O-C 3.59Å; I560-A644 WeakPolarHBondContact O-CA 3.26Å; I560-A644 WeakPolarHBondContact O-CB 3.15Å; I560-S645 PolarHBondContact N-O 3.45Å; I560-S645 PolarHBondContact O-N 3.5Å; I560-S645 VanDerWaalsContact O-O 3.13Å; I560-M647 HydrophobicContact CD1-CE 3.82Å; I560-V677 HydrophobicContact CD1-CG1 4.3Å; I560-V677 HydrophobicContact CG1-CG1 4.15Å; I560-V677 HydrophobicContact CG2-CG1 3.97Å; I560-F679 HydrophobicContact CG1-CB 4.24Å
561	Y	89.5	Confident	89.3	Confident	90 Å²	90	33 Å²	33	35%	0.353	18%	0.176	S	C	.	.			trans	-104.2	13.3	-173.4	62.7	-88.8	0	0	0	112.9	K678 I680	Y561-K678 HydrophobicContact CE1-CB 4.04Å; Y561-K678 HydrophobicContact CE2-CB 4.37Å; Y561-I680 HydrophobicContact CD1-CG1 4.4Å; Y561-I680 HydrophobicContact CD1-CG2 4.02Å; Y561-I680 HydrophobicContact CE1-CG2 3.68Å
562	E	88.4	Confident	89.8	Confident	52 Å²	52	30.3 Å²	30.3	24%	0.243	16%	0.161	C	C	.	.	S	Bend	trans	-124.5	158.3	174.6	74.4	-178.5	175.8	0	0	111.5	I560 I564 V643 V677 K678	I560-E562 HydrophobicContact CG2-CG 4.42Å; E562-I564 HydrophobicContact CG-CG2 3.58Å; E562-I564 PolarHBondContact O-N 3.4Å; E562-I564 VanDerWaalsContact O-N 3.12Å; E562-V643 CarbonylContact C-O 3.6Å; E562-V677 WeakPolarHBondContact OE1-CA 3.43Å; E562-K678 HydrophobicContact CG-CB 4.34Å; E562-K678 PolarHBondContact OE1-N 2.98Å; E562-K678 WeakPolarHBondContact OE2-CD 3.36Å; E562-K678 WeakPolarHBondContact OE2-CG 3.48Å
563	S	90	Very high	90.1	Very high	64 Å²	64	35.5 Å²	35.5	45%	0.448	19%	0.186	S	C	.	.			trans	-78.3	96.5	177	174.6	0	0	0	0	110.6	V642 V643	S563-V642 VanDerWaalsContact CA-O 3.29Å; S563-V642 WeakPolarHBondContact CA-O 3.33Å; S563-V642 PolarHBondContact OG-O 2.9Å; S563-V643 PolarHBondContact N-O 3.2Å
564	I	90.9	Very high	90.4	Very high	13 Å²	13	37.3 Å²	37.3	7%	0.067	20%	0.195	C	C	.	.			trans	-97	154.8	175.7	67.4	173.1	0	0	0	113.3	I560 E562 Y566 V571 V575 V677	I560-I564 HydrophobicContact CD1-CD1 3.91Å; I560-I564 HydrophobicContact CG2-CD1 4.01Å; I560-I564 HydrophobicContact CG2-CG1 4.22Å; I560-I564 HydrophobicContact CG2-CG2 4.17Å; E562-I564 HydrophobicContact CG-CG2 3.58Å; E562-I564 PolarHBondContact O-N 3.4Å; E562-I564 VanDerWaalsContact O-N 3.12Å; I564-Y566 VanDerWaalsContact C-N 3.35Å; I564-Y566 HydrophobicContact CD1-CD1 4.13Å; I564-Y566 HydrophobicContact CD1-CE1 3.58Å; I564-Y566 HydrophobicContact CD1-CE2 4.02Å; I564-Y566 VanDerWaalsContact CD1-CZ 3.49Å; I564-Y566 HydrophobicContact CG1-CD1 4.25Å; I564-Y566 HydrophobicContact CG1-CD2 3.8Å; I564-Y566 HydrophobicContact CG1-CE1 3.89Å; I564-Y566 HydrophobicContact CG1-CE2 3.38Å; I564-Y566 HydrophobicContact CG1-CG 4.21Å; I564-Y566 VanDerWaalsContact CG1-CZ 3.41Å; I564-Y566 WeakPolarHBondContact O-CD2 3.32Å; I564-Y566 PolarHBondContact O-N 3.48Å; I564-V571 HydrophobicContact CB-CG1 4.26Å; I564-V571 HydrophobicContact CD1-CG1 3.98Å; I564-V571 HydrophobicContact CG1-CG1 4.41Å; I564-V575 HydrophobicContact CD1-CG2 3.87Å; I564-V677 HydrophobicContact CD1-CG1 3.88Å; I564-V677 HydrophobicContact CD1-CG2 4.21Å; I564-V677 HydrophobicContact CG2-CG1 3.91Å; I564-V677 HydrophobicContact CG2-CG2 4.23Å
565	E	91.4	Very high	90.8	Very high	97 Å²	97	35.8 Å²	35.8	45%	0.453	19%	0.186	S	C	.	.			trans	-82	73.2	-179.3	-57.6	-170.3	165.1	0	0	111.9	W567 N568 V571	E565-W567 HydrophobicContact CB-CD2 4.33Å; E565-W567 HydrophobicContact CB-CH2 4.4Å; E565-W567 HydrophobicContact CB-CZ2 3.8Å; E565-W567 HydrophobicContact CG-CH2 4.3Å; E565-W567 HydrophobicContact CG-CZ2 3.64Å; E565-W567 PolarHBondContact O-N 3.31Å; E565-N568 HydrophobicContact CB-CB 4.08Å; E565-N568 WeakPolarHBondContact O-CB 3.41Å; E565-N568 PolarHBondContact O-N 3.48Å; E565-V571 HydrophobicContact CB-CG2 4.44Å
566	Y	92.4	Very high	91.2	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.008	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-21.6	179.8	-72.5	-77.4	0	0	0	114.6	I560 I564 N568 Q572 W587 F588 V642 S645	I560-Y566 HydrophobicContact CD1-CE1 4.36Å; I560-Y566 VanDerWaalsContact CD1-OH 3.24Å; I560-Y566 WeakPolarHBondContact CD1-OH 3.25Å; I564-Y566 VanDerWaalsContact C-N 3.35Å; I564-Y566 HydrophobicContact CD1-CD1 4.13Å; I564-Y566 HydrophobicContact CD1-CE1 3.58Å; I564-Y566 HydrophobicContact CD1-CE2 4.02Å; I564-Y566 VanDerWaalsContact CD1-CZ 3.49Å; I564-Y566 HydrophobicContact CG1-CD1 4.25Å; I564-Y566 HydrophobicContact CG1-CD2 3.8Å; I564-Y566 HydrophobicContact CG1-CE1 3.89Å; I564-Y566 HydrophobicContact CG1-CE2 3.38Å; I564-Y566 HydrophobicContact CG1-CG 4.21Å; I564-Y566 VanDerWaalsContact CG1-CZ 3.41Å; I564-Y566 WeakPolarHBondContact O-CD2 3.32Å; I564-Y566 PolarHBondContact O-N 3.48Å; Y566-N568 VanDerWaalsContact C-N 3.34Å; Y566-Q572 VanDerWaalsContact O-CG 3.26Å; Y566-Q572 WeakPolarHBondContact O-CG 3.49Å; Y566-Q572 PolarHBondContact O-NE2 3.47Å; Y566-W587 AromaticContact CD1-CH2 3.9Å; Y566-W587 HydrophobicContact CD1-CH2 3.9Å; Y566-W587 HydrophobicContact CD1-CZ2 4.2Å; Y566-W587 HydrophobicContact CD2-CH2 4.18Å; Y566-W587 AromaticContact CE1-CH2 3.93Å; Y566-W587 HydrophobicContact CE1-CH2 3.93Å; Y566-W587 AromaticContact CE1-CZ2 3.74Å; Y566-W587 HydrophobicContact CE1-CZ2 3.74Å; Y566-W587 HydrophobicContact CE2-CH2 4.22Å; Y566-W587 HydrophobicContact CE2-CZ2 4.11Å; Y566-W587 HydrophobicContact CG-CH2 4.03Å; Y566-W587 AromaticContact CZ-CZ2 3.71Å; Y566-F588 AromaticContact CD1-CD2 3.65Å; Y566-F588 HydrophobicContact CD1-CD2 3.65Å; Y566-F588 AromaticContact CD1-CE2 3.63Å; Y566-F588 HydrophobicContact CD1-CE2 3.63Å; Y566-F588 HydrophobicContact CD1-CG 4.34Å; Y566-F588 HydrophobicContact CD1-CZ 4.29Å; Y566-F588 HydrophobicContact CE1-CD2 4.2Å; Y566-F588 HydrophobicContact CE1-CE2 4.49Å; Y566-F588 HydrophobicContact CE1-CG 4.49Å; Y566-F588 HydrophobicContact CG-CE2 4.45Å; Y566-V642 HydrophobicContact CD2-CB 4.17Å; Y566-V642 HydrophobicContact CD2-CG1 4.25Å; Y566-V642 HydrophobicContact CD2-CG2 4.41Å; Y566-V642 HydrophobicContact CE2-CB 4.01Å; Y566-V642 HydrophobicContact CE2-CG1 3.63Å; Y566-S645 PolarHBondContact OH-OG 2.91Å
567	W	91.1	Very high	91.4	Very high	43 Å²	43	42.8 Å²	42.8	16%	0.163	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-16.1	176.8	54.7	82.7	0	0	0	113.7	E565 G603 L604 K606 F609	E565-W567 HydrophobicContact CB-CD2 4.33Å; E565-W567 HydrophobicContact CB-CH2 4.4Å; E565-W567 HydrophobicContact CB-CZ2 3.8Å; E565-W567 HydrophobicContact CG-CH2 4.3Å; E565-W567 HydrophobicContact CG-CZ2 3.64Å; E565-W567 PolarHBondContact O-N 3.31Å; W567-G603 WeakPolarHBondContact O-CA 3.43Å; W567-L604 WeakPolarHBondContact CB-O 3.28Å; W567-K606 HydrophobicContact CD2-CB 3.78Å; W567-K606 HydrophobicContact CD2-CG 3.97Å; W567-K606 HydrophobicContact CE3-CB 4.1Å; W567-K606 HydrophobicContact CE3-CG 3.82Å; W567-K606 HydrophobicContact CG-CB 4.23Å; W567-K606 HydrophobicContact CH2-CB 4.39Å; W567-K606 HydrophobicContact CH2-CD 3.57Å; W567-K606 HydrophobicContact CH2-CG 3.66Å; W567-K606 HydrophobicContact CZ2-CB 4.08Å; W567-K606 HydrophobicContact CZ2-CD 3.63Å; W567-K606 HydrophobicContact CZ2-CG 3.8Å; W567-K606 HydrophobicContact CZ3-CB 4.4Å; W567-K606 HydrophobicContact CZ3-CD 4.1Å; W567-K606 HydrophobicContact CZ3-CG 3.67Å; W567-F609 HydrophobicContact CB-CB 3.91Å; W567-F609 HydrophobicContact CB-CD1 4.31Å; W567-F609 HydrophobicContact CB-CD2 4.03Å; W567-F609 HydrophobicContact CB-CG 3.83Å
568	N	93	Very high	91.5	Very high	60 Å²	60	44.5 Å²	44.5	32%	0.321	23%	0.225	S	C	.	.	S	Bend	trans	-86.7	119.9	179.3	-176.7	-8.5	0	0	0	110.8	E565 Y566 S570 V571 Q572	E565-N568 HydrophobicContact CB-CB 4.08Å; E565-N568 WeakPolarHBondContact O-CB 3.41Å; E565-N568 PolarHBondContact O-N 3.48Å; Y566-N568 VanDerWaalsContact C-N 3.34Å; N568-S570 VanDerWaalsContact C-N 3.25Å; N568-S570 PolarHBondContact ND2-OG 3.22Å; N568-S570 PolarHBondContact O-N 2.92Å; N568-S570 VanDerWaalsContact O-N 3.15Å; N568-S570 PolarHBondContact OD1-N 3.15Å; N568-S570 PolarHBondContact OD1-OG 2.72Å; N568-V571 HydrophobicContact CB-CB 4.42Å; N568-V571 HydrophobicContact CB-CG2 4.09Å; N568-V571 WeakPolarHBondContact O-CB 3.43Å; N568-V571 PolarHBondContact O-N 3.21Å; N568-Q572 WeakPolarHBondContact O-CG 3.29Å; N568-Q572 PolarHBondContact O-N 2.64Å
569	T	91.7	Very high	91.4	Very high	62 Å²	62	44.5 Å²	44.5	38%	0.38	23%	0.225	S	C	.	.	H	α-helix	trans	-54.2	-36.3	-176.2	-40	0	0	0	0	113.6	V571 Q572 E573	T569-V571 VanDerWaalsContact C-N 3.33Å; T569-V571 PolarHBondContact O-N 3.41Å; T569-Q572 WeakPolarHBondContact O-CB 3.24Å; T569-Q572 PolarHBondContact O-N 3.26Å; T569-Q572 VanDerWaalsContact O-N 3.16Å; T569-E573 WeakPolarHBondContact O-CG 3.42Å; T569-E573 PolarHBondContact O-N 2.85Å
570	S	92.1	Very high	91.4	Very high	56 Å²	56	50.2 Å²	50.2	39%	0.392	25%	0.25	S	C	.	.	H	α-helix	trans	-65.2	-38.3	177.9	65.4	0	0	0	0	112.2	N568 Q572 E573 D574	N568-S570 VanDerWaalsContact C-N 3.25Å; N568-S570 PolarHBondContact ND2-OG 3.22Å; N568-S570 PolarHBondContact O-N 2.92Å; N568-S570 VanDerWaalsContact O-N 3.15Å; N568-S570 PolarHBondContact OD1-N 3.15Å; N568-S570 PolarHBondContact OD1-OG 2.72Å; S570-Q572 VanDerWaalsContact C-N 3.33Å; S570-E573 PolarHBondContact O-N 3.01Å; S570-D574 PolarHBondContact O-N 3.02Å
571	V	92	Very high	91.1	Very high	22 Å²	22	53.7 Å²	53.7	13%	0.133	29%	0.286	C	S	.	.	H	α-helix	trans	-69.6	-35.8	175.2	-179.7	0	0	0	0	110.2	I564 E565 N568 T569 E573 D574 V575 V677	I564-V571 HydrophobicContact CB-CG1 4.26Å; I564-V571 HydrophobicContact CD1-CG1 3.98Å; I564-V571 HydrophobicContact CG1-CG1 4.41Å; E565-V571 HydrophobicContact CB-CG2 4.44Å; N568-V571 HydrophobicContact CB-CB 4.42Å; N568-V571 HydrophobicContact CB-CG2 4.09Å; N568-V571 WeakPolarHBondContact O-CB 3.43Å; N568-V571 PolarHBondContact O-N 3.21Å; T569-V571 VanDerWaalsContact C-N 3.33Å; T569-V571 PolarHBondContact O-N 3.41Å; V571-E573 VanDerWaalsContact C-N 3.35Å; V571-D574 PolarHBondContact O-N 2.82Å; V571-V575 HydrophobicContact CG1-CG2 4.44Å; V571-V575 WeakPolarHBondContact O-CG2 3.48Å; V571-V575 PolarHBondContact O-N 3.31Å; V571-V677 HydrophobicContact CG1-CG2 4.33Å
572	Q	93.8	Very high	91.1	Very high	6 Å²	6	51 Å²	51	3%	0.028	28%	0.277	C	S	.	.	H	α-helix	trans	-60.6	-45.4	174.7	-56	-179.6	-1.3	0	0	111.3	Y566 N568 T569 S570 L576 F588 T602	Y566-Q572 VanDerWaalsContact O-CG 3.26Å; Y566-Q572 WeakPolarHBondContact O-CG 3.49Å; Y566-Q572 PolarHBondContact O-NE2 3.47Å; N568-Q572 WeakPolarHBondContact O-CG 3.29Å; N568-Q572 PolarHBondContact O-N 2.64Å; T569-Q572 WeakPolarHBondContact O-CB 3.24Å; T569-Q572 PolarHBondContact O-N 3.26Å; T569-Q572 VanDerWaalsContact O-N 3.16Å; S570-Q572 VanDerWaalsContact C-N 3.33Å; Q572-L576 WeakPolarHBondContact O-CB 3.3Å; Q572-L576 VanDerWaalsContact O-CG 3.25Å; Q572-L576 WeakPolarHBondContact O-CG 3.49Å; Q572-L576 PolarHBondContact O-N 3.19Å; Q572-L576 VanDerWaalsContact O-N 3.07Å; Q572-F588 HydrophobicContact CB-CE1 4.46Å; Q572-F588 HydrophobicContact CB-CZ 3.77Å; Q572-F588 HydrophobicContact CG-CE2 4.3Å; Q572-F588 HydrophobicContact CG-CZ 3.74Å; Q572-T602 PolarHBondContact NE2-O 2.87Å; Q572-T602 VanDerWaalsContact OE1-CB 3.31Å; Q572-T602 PolarHBondContact OE1-OG1 3.37Å; Q572-T602 VanDerWaalsContact OE1-OG1 3.05Å
573	E	91.9	Very high	91.2	Very high	129 Å²	129	50 Å²	50	60%	0.603	27%	0.274	S	S	*	.	H	α-helix	trans	-64.6	-45.6	177.6	-72.4	173.9	-176.3	0	0	111.8	T569 S570 V571 V575 L576 E577	T569-E573 WeakPolarHBondContact O-CG 3.42Å; T569-E573 PolarHBondContact O-N 2.85Å; S570-E573 PolarHBondContact O-N 3.01Å; V571-E573 VanDerWaalsContact C-N 3.35Å; E573-V575 PolarHBondContact O-N 3.37Å; E573-L576 PolarHBondContact O-N 3.33Å; E573-E577 WeakPolarHBondContact O-CB 3.32Å; E573-E577 PolarHBondContact O-N 2.97Å
574	D	92.2	Very high	91.2	Very high	39 Å²	39	50.1 Å²	50.1	21%	0.209	27%	0.265	C	S	.	.	H	α-helix	trans	-56.8	-49.3	177.1	-76.2	-23.2	0	0	0	111.1	S570 V571 L576 E577 Y578 K676	S570-D574 PolarHBondContact O-N 3.02Å; V571-D574 PolarHBondContact O-N 2.82Å; D574-L576 PolarHBondContact O-N 2.88Å; D574-E577 PolarHBondContact O-N 3.3Å; D574-Y578 HydrophobicContact CB-CE2 4.12Å; D574-Y578 WeakPolarHBondContact O-CD1 3.2Å; D574-Y578 WeakPolarHBondContact O-CD2 3.49Å; D574-Y578 PolarHBondContact O-N 3.49Å; D574-K676 IonicContact OD2-NZ 2.87Å
575	V	91.7	Very high	91	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-63.9	-39	179.3	173.4	0	0	0	0	112.1	I560 I564 V571 E573 T579 F588 M647 V677	I560-V575 HydrophobicContact CD1-CG1 4.47Å; I560-V575 HydrophobicContact CD1-CG2 4.45Å; I564-V575 HydrophobicContact CD1-CG2 3.87Å; V571-V575 HydrophobicContact CG1-CG2 4.44Å; V571-V575 WeakPolarHBondContact O-CG2 3.48Å; V571-V575 PolarHBondContact O-N 3.31Å; E573-V575 PolarHBondContact O-N 3.37Å; V575-T579 WeakPolarHBondContact O-CG2 3.35Å; V575-T579 PolarHBondContact O-N 2.83Å; V575-T579 PolarHBondContact O-OG1 2.81Å; V575-F588 HydrophobicContact CB-CE1 4.19Å; V575-F588 HydrophobicContact CG1-CD1 3.96Å; V575-F588 HydrophobicContact CG1-CE1 4.01Å; V575-M647 HydrophobicContact CG1-CE 3.96Å; V575-V677 HydrophobicContact CG2-CG2 4.23Å
576	L	92.4	Very high	91	Very high	42 Å²	42	45.8 Å²	45.8	22%	0.22	25%	0.245	C	C	.	.	H	α-helix	trans	-71.8	-33.2	178.2	-71.1	172.9	0	0	0	112.5	Q572 E573 D574 T579 K580 F588 L592	Q572-L576 WeakPolarHBondContact O-CB 3.3Å; Q572-L576 VanDerWaalsContact O-CG 3.25Å; Q572-L576 WeakPolarHBondContact O-CG 3.49Å; Q572-L576 PolarHBondContact O-N 3.19Å; Q572-L576 VanDerWaalsContact O-N 3.07Å; E573-L576 PolarHBondContact O-N 3.33Å; D574-L576 PolarHBondContact O-N 2.88Å; L576-T579 PolarHBondContact O-N 3.37Å; L576-T579 PolarHBondContact O-OG1 2.87Å; L576-K580 PolarHBondContact O-N 3.39Å; L576-F588 HydrophobicContact CD2-CD1 4.46Å; L576-F588 HydrophobicContact CD2-CE1 4.35Å; L576-F588 HydrophobicContact CG-CE1 4.16Å; L576-L592 HydrophobicContact CD1-CD1 4.07Å
577	E	91.4	Very high	91	Very high	110 Å²	110	45.8 Å²	45.8	51%	0.514	25%	0.245	S	C	.	.	H	α-helix	trans	-70.2	-41.2	176.4	-169.5	63.6	-160.7	0	0	111	E573 D574 T579 K580	E573-E577 WeakPolarHBondContact O-CB 3.32Å; E573-E577 PolarHBondContact O-N 2.97Å; D574-E577 PolarHBondContact O-N 3.3Å; E577-T579 PolarHBondContact O-N 2.83Å; E577-K580 VanDerWaalsContact CD-NZ 3.28Å; E577-K580 WeakPolarHBondContact O-CB 3.39Å; E577-K580 PolarHBondContact O-N 2.93Å; E577-K580 VanDerWaalsContact O-N 3.16Å; E577-K580 WeakPolarHBondContact OE1-CD 3.18Å; E577-K580 IonicContact OE1-NZ 3.7Å; E577-K580 PolarHBondContact OE1-NZ 3.02Å; E577-K580 WeakPolarHBondContact OE2-CD 3.34Å; E577-K580 IonicContact OE2-NZ 3.84Å; E577-K580 PolarHBondContact OE2-NZ 3.46Å
578	Y	89.9	Confident	91.1	Very high	40 Å²	40	43.8 Å²	43.8	16%	0.157	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-26.9	176.9	-57	-25.2	0	0	0	113.4	D574 S675 K676 V677 F679	D574-Y578 HydrophobicContact CB-CE2 4.12Å; D574-Y578 WeakPolarHBondContact O-CD1 3.2Å; D574-Y578 WeakPolarHBondContact O-CD2 3.49Å; D574-Y578 PolarHBondContact O-N 3.49Å; Y578-S675 VanDerWaalsContact CZ-CB 3.47Å; Y578-K676 PolarHBondContact OH-N 3.07Å; Y578-V677 HydrophobicContact CE2-CB 4.05Å; Y578-V677 HydrophobicContact CE2-CG2 4.35Å; Y578-F679 HydrophobicContact CD2-CE1 4.11Å; Y578-F679 HydrophobicContact CG-CE1 4.42Å
579	T	89.5	Confident	91.1	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	7.2	-178.2	60.3	0	0	0	0	112.9	F558 V575 L576 E577 F582 R584 M647 L649	F558-T579 HydrophobicContact CE2-CG2 4.32Å; F558-T579 HydrophobicContact CZ-CG2 4.35Å; V575-T579 WeakPolarHBondContact O-CG2 3.35Å; V575-T579 PolarHBondContact O-N 2.83Å; V575-T579 PolarHBondContact O-OG1 2.81Å; L576-T579 PolarHBondContact O-N 3.37Å; L576-T579 PolarHBondContact O-OG1 2.87Å; E577-T579 PolarHBondContact O-N 2.83Å; T579-F582 WeakPolarHBondContact O-CD2 3.28Å; T579-F582 PolarHBondContact O-N 2.69Å; T579-R584 WeakPolarHBondContact O-CD 2.99Å; T579-R584 WeakPolarHBondContact OG1-CD 3.49Å; T579-M647 HydrophobicContact CG2-SD 3.85Å; T579-L649 HydrophobicContact CG2-CD1 4.05Å; T579-L649 HydrophobicContact CG2-CD2 3.76Å
580	K	90.2	Very high	91.2	Very high	124 Å²	124	41.8 Å²	41.8	54%	0.539	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	143.6	-179.7	-173	174	176.8	-179.6	0	111.6	L576 E577 F582	L576-K580 PolarHBondContact O-N 3.39Å; E577-K580 VanDerWaalsContact CD-NZ 3.28Å; E577-K580 WeakPolarHBondContact O-CB 3.39Å; E577-K580 PolarHBondContact O-N 2.93Å; E577-K580 VanDerWaalsContact O-N 3.16Å; E577-K580 WeakPolarHBondContact OE1-CD 3.18Å; E577-K580 IonicContact OE1-NZ 3.7Å; E577-K580 PolarHBondContact OE1-NZ 3.02Å; E577-K580 WeakPolarHBondContact OE2-CD 3.34Å; E577-K580 IonicContact OE2-NZ 3.84Å; E577-K580 PolarHBondContact OE2-NZ 3.46Å; K580-F582 WeakPolarHBondContact O-CD2 3.32Å; K580-F582 PolarHBondContact O-N 2.8Å
581	G	87.2	Confident	91.3	Very high	75 Å²	75	39.1 Å²	39.1	77%	0.773	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.7	-14.4	-176.7	0	0	0	0	0	114.3
582	F	90.6	Very high	91.5	Very high	33 Å²	33	38.1 Å²	38.1	15%	0.145	20%	0.201	C	C	.	.	S	Bend	trans	-88.4	149	173.8	-62.3	-90.6	0	0	0	111.6	T579 K580 R584 L649 A651 L664 L668	T579-F582 WeakPolarHBondContact O-CD2 3.28Å; T579-F582 PolarHBondContact O-N 2.69Å; K580-F582 WeakPolarHBondContact O-CD2 3.32Å; K580-F582 PolarHBondContact O-N 2.8Å; F582-R584 HydrophobicContact CB-CG 4.41Å; F582-R584 PolarHBondContact O-N 3.36Å; F582-L649 HydrophobicContact CB-CB 4.03Å; F582-L649 HydrophobicContact CB-CD2 4.16Å; F582-L649 HydrophobicContact CD1-CB 3.82Å; F582-L649 HydrophobicContact CD2-CD1 4.38Å; F582-L649 HydrophobicContact CE1-CB 4.48Å; F582-L649 HydrophobicContact CG-CB 3.96Å; F582-L649 HydrophobicContact CG-CD1 4.37Å; F582-A651 HydrophobicContact CD1-CB 3.96Å; F582-A651 HydrophobicContact CE1-CB 3.84Å; F582-L664 HydrophobicContact CE1-CD1 3.9Å; F582-L664 HydrophobicContact CE1-CD2 4.4Å; F582-L664 HydrophobicContact CZ-CD1 3.77Å; F582-L668 HydrophobicContact CE1-CD1 4.45Å; F582-L668 HydrophobicContact CE2-CD2 4.19Å; F582-L668 HydrophobicContact CZ-CD1 4.16Å; F582-L668 HydrophobicContact CZ-CD2 3.84Å; F582-L668 HydrophobicContact CZ-CG 4.33Å
583	V	88.9	Confident	91.5	Very high	32 Å²	32	40.7 Å²	40.7	19%	0.194	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	116.7	157.9	179.3	0	0	0	0	106.9	P176 I177 Y187 Y552 V650	P176-V583 HydrophobicContact CG-CG1 3.98Å; P176-V583 HydrophobicContact CG-CG2 4Å; I177-V583 HydrophobicContact CD1-CG1 3.75Å; I177-V583 HydrophobicContact CG1-CG1 4.06Å; Y187-V583 HydrophobicContact CD2-CG1 4.14Å; Y187-V583 HydrophobicContact CE2-CG1 4.19Å; Y552-V583 HydrophobicContact CE1-CG2 4.09Å; V583-V650 HydrophobicContact CB-CB 4.26Å; V583-V650 PolarHBondContact N-O 3.38Å; V583-V650 PolarHBondContact O-N 3.5Å
584	R	90	Very high	91.6	Very high	65 Å²	65	36.1 Å²	36.1	25%	0.245	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	126.1	-172.3	-66.9	168.4	-62	-159.1	4.7	110.7	T579 F582 E589 L649	T579-R584 WeakPolarHBondContact O-CD 2.99Å; T579-R584 WeakPolarHBondContact OG1-CD 3.49Å; F582-R584 HydrophobicContact CB-CG 4.41Å; F582-R584 PolarHBondContact O-N 3.36Å; R584-E589 WeakPolarHBondContact CB-OE2 3.32Å; R584-E589 IonicContact CZ-OE1 3.64Å; R584-E589 IonicContact CZ-OE2 3.02Å; R584-E589 IonicContact NE-OE1 2.75Å; R584-E589 IonicContact NE-OE2 3.48Å; R584-E589 PolarHBondContact NE-OE2 2.97Å; R584-E589 VanDerWaalsContact NH2-CD 3.35Å; R584-E589 IonicContact NH2-OE1 3.67Å; R584-E589 PolarHBondContact NH2-OE1 3.31Å; R584-E589 IonicContact NH2-OE2 3.84Å; R584-E589 PolarHBondContact NH2-OE2 3.49Å; R584-L649 HydrophobicContact CG-CD2 3.77Å
585	I	88	Confident	91.7	Very high	15 Å²	15	34.2 Å²	34.2	8%	0.077	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	88.8	162.9	-44.6	168	0	0	0	105.4	L83 Y187 F648	L83-I585 HydrophobicContact CD2-CD1 3.52Å; L83-I585 HydrophobicContact CD2-CG2 3.94Å; Y187-I585 HydrophobicContact CD2-CD1 4.43Å; Y187-I585 HydrophobicContact CG-CD1 3.93Å; I585-F648 HydrophobicContact CB-CB 4.13Å; I585-F648 HydrophobicContact CD1-CB 4.32Å; I585-F648 PolarHBondContact N-O 3.14Å; I585-F648 PolarHBondContact O-N 2.91Å
586	S	90.1	Very high	91.8	Very high	5 Å²	5	40.5 Å²	40.5	4%	0.035	21%	0.205	C	C	.	.			trans	-129.9	124.5	-169.1	-178.6	0	0	0	0	111.1	F588 E589 S590	S586-F588 PolarHBondContact O-N 2.94Å; S586-F588 PolarHBondContact OG-N 3.47Å; S586-E589 PolarHBondContact OG-N 3.45Å; S586-S590 WeakPolarHBondContact O-CB 3.43Å; S586-S590 PolarHBondContact O-N 2.82Å; S586-S590 PolarHBondContact O-OG 3.39Å
587	W	92.5	Very high	91.8	Very high	1 Å²	1	46.5 Å²	46.5	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-58.7	-35.4	169.5	70.2	-97	0	0	0	110.7	Y566 S590 Y591 L613 F626 I630 S645 R646	Y566-W587 AromaticContact CD1-CH2 3.9Å; Y566-W587 HydrophobicContact CD1-CH2 3.9Å; Y566-W587 HydrophobicContact CD1-CZ2 4.2Å; Y566-W587 HydrophobicContact CD2-CH2 4.18Å; Y566-W587 AromaticContact CE1-CH2 3.93Å; Y566-W587 HydrophobicContact CE1-CH2 3.93Å; Y566-W587 AromaticContact CE1-CZ2 3.74Å; Y566-W587 HydrophobicContact CE1-CZ2 3.74Å; Y566-W587 HydrophobicContact CE2-CH2 4.22Å; Y566-W587 HydrophobicContact CE2-CZ2 4.11Å; Y566-W587 HydrophobicContact CG-CH2 4.03Å; Y566-W587 AromaticContact CZ-CZ2 3.71Å; W587-S590 PolarHBondContact O-N 3.5Å; W587-Y591 HydrophobicContact CZ3-CD1 4.45Å; W587-Y591 WeakPolarHBondContact O-CB 3.42Å; W587-Y591 PolarHBondContact O-N 2.85Å; W587-L613 HydrophobicContact CE3-CD1 3.94Å; W587-L613 HydrophobicContact CH2-CD2 4.34Å; W587-L613 HydrophobicContact CZ3-CD1 3.82Å; W587-L613 HydrophobicContact CZ3-CD2 3.87Å; W587-F626 HydrophobicContact CB-CB 3.57Å; W587-F626 HydrophobicContact CB-CD1 3.53Å; W587-F626 HydrophobicContact CB-CD2 4.07Å; W587-F626 HydrophobicContact CB-CE1 4.2Å; W587-F626 HydrophobicContact CB-CG 3.47Å; W587-F626 VanDerWaalsContact CB-CG 3.47Å; W587-I630 HydrophobicContact CD2-CD1 3.41Å; W587-I630 VanDerWaalsContact CD2-CD1 3.41Å; W587-I630 HydrophobicContact CD2-CG1 3.84Å; W587-I630 HydrophobicContact CE3-CD1 3.48Å; W587-I630 VanDerWaalsContact CE3-CD1 3.48Å; W587-I630 HydrophobicContact CE3-CG1 4.39Å; W587-I630 HydrophobicContact CG-CD1 3.89Å; W587-I630 HydrophobicContact CG-CG1 4.04Å; W587-I630 HydrophobicContact CH2-CD1 4.19Å; W587-I630 HydrophobicContact CZ2-CD1 4.13Å; W587-I630 HydrophobicContact CZ2-CG1 4.25Å; W587-I630 HydrophobicContact CZ3-CD1 3.88Å; W587-S645 PolarHBondContact NE1-OG 3.47Å; W587-R646 VanDerWaalsContact CD1-O 3.25Å
588	F	94.7	Very high	91.8	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	23%	0.227	C	C	.	.	H	α-helix	trans	-69.9	-51.3	-173.7	177.4	-116.9	0	0	0	111.3	Y566 Q572 V575 L576 S586 S590 Y591 L592	Y566-F588 AromaticContact CD1-CD2 3.65Å; Y566-F588 HydrophobicContact CD1-CD2 3.65Å; Y566-F588 AromaticContact CD1-CE2 3.63Å; Y566-F588 HydrophobicContact CD1-CE2 3.63Å; Y566-F588 HydrophobicContact CD1-CG 4.34Å; Y566-F588 HydrophobicContact CD1-CZ 4.29Å; Y566-F588 HydrophobicContact CE1-CD2 4.2Å; Y566-F588 HydrophobicContact CE1-CE2 4.49Å; Y566-F588 HydrophobicContact CE1-CG 4.49Å; Y566-F588 HydrophobicContact CG-CE2 4.45Å; Q572-F588 HydrophobicContact CB-CE1 4.46Å; Q572-F588 HydrophobicContact CB-CZ 3.77Å; Q572-F588 HydrophobicContact CG-CE2 4.3Å; Q572-F588 HydrophobicContact CG-CZ 3.74Å; V575-F588 HydrophobicContact CB-CE1 4.19Å; V575-F588 HydrophobicContact CG1-CD1 3.96Å; V575-F588 HydrophobicContact CG1-CE1 4.01Å; L576-F588 HydrophobicContact CD2-CD1 4.46Å; L576-F588 HydrophobicContact CD2-CE1 4.35Å; L576-F588 HydrophobicContact CG-CE1 4.16Å; S586-F588 PolarHBondContact O-N 2.94Å; S586-F588 PolarHBondContact OG-N 3.47Å; F588-S590 VanDerWaalsContact C-N 3.3Å; F588-S590 PolarHBondContact O-N 3.34Å; F588-Y591 PolarHBondContact O-N 3.37Å; F588-Y591 VanDerWaalsContact O-N 3.15Å; F588-L592 HydrophobicContact CD1-CD1 4.43Å; F588-L592 HydrophobicContact CD2-CG 4.48Å; F588-L592 HydrophobicContact CE1-CD1 3.86Å; F588-L592 HydrophobicContact CE2-CD1 4.13Å; F588-L592 HydrophobicContact CE2-CD2 4.09Å; F588-L592 HydrophobicContact CE2-CG 4.11Å; F588-L592 HydrophobicContact CZ-CD1 3.68Å; F588-L592 HydrophobicContact CZ-CD2 4.33Å; F588-L592 HydrophobicContact CZ-CG 4.18Å; F588-L592 WeakPolarHBondContact O-CG 3.19Å; F588-L592 PolarHBondContact O-N 2.88Å
589	E	92.6	Very high	91.8	Very high	50 Å²	50	50.8 Å²	50.8	23%	0.234	26%	0.259	C	S	.	.	H	α-helix	trans	-60.9	-41.3	174.9	-179.6	173.1	-161.8	0	0	111.5	R584 S586 Y591 L592 N593	R584-E589 WeakPolarHBondContact CB-OE2 3.32Å; R584-E589 IonicContact CZ-OE1 3.64Å; R584-E589 IonicContact CZ-OE2 3.02Å; R584-E589 IonicContact NE-OE1 2.75Å; R584-E589 IonicContact NE-OE2 3.48Å; R584-E589 PolarHBondContact NE-OE2 2.97Å; R584-E589 VanDerWaalsContact NH2-CD 3.35Å; R584-E589 IonicContact NH2-OE1 3.67Å; R584-E589 PolarHBondContact NH2-OE1 3.31Å; R584-E589 IonicContact NH2-OE2 3.84Å; R584-E589 PolarHBondContact NH2-OE2 3.49Å; S586-E589 PolarHBondContact OG-N 3.45Å; E589-Y591 VanDerWaalsContact C-N 3.3Å; E589-Y591 PolarHBondContact O-N 3.3Å; E589-L592 PolarHBondContact O-N 3.35Å; E589-N593 WeakPolarHBondContact O-CB 3.1Å; E589-N593 VanDerWaalsContact O-CG 3.31Å; E589-N593 PolarHBondContact O-N 2.86Å; E589-N593 PolarHBondContact O-ND2 3.46Å
590	S	92.6	Very high	91.9	Very high	30 Å²	30	52.9 Å²	52.9	21%	0.21	27%	0.271	C	S	.	.	H	α-helix	trans	-62.1	-38.4	176.3	-61.9	0	0	0	0	112.1	S586 W587 F588 Y594	S586-S590 WeakPolarHBondContact O-CB 3.43Å; S586-S590 PolarHBondContact O-N 2.82Å; S586-S590 PolarHBondContact O-OG 3.39Å; W587-S590 PolarHBondContact O-N 3.5Å; F588-S590 VanDerWaalsContact C-N 3.3Å; F588-S590 PolarHBondContact O-N 3.34Å; S590-Y594 WeakPolarHBondContact O-CB 3.19Å; S590-Y594 PolarHBondContact O-N 3.13Å
591	Y	95.9	Very high	91.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-70.9	-44.9	178.4	-178.9	-132	0	0	0	112.3	W587 F588 E589 N593 Y594 L595 F609 M612 L613 F617	W587-Y591 HydrophobicContact CZ3-CD1 4.45Å; W587-Y591 WeakPolarHBondContact O-CB 3.42Å; W587-Y591 PolarHBondContact O-N 2.85Å; F588-Y591 PolarHBondContact O-N 3.37Å; F588-Y591 VanDerWaalsContact O-N 3.15Å; E589-Y591 VanDerWaalsContact C-N 3.3Å; E589-Y591 PolarHBondContact O-N 3.3Å; Y591-N593 VanDerWaalsContact C-N 3.27Å; Y591-N593 PolarHBondContact O-N 3.22Å; Y591-Y594 HydrophobicContact CD2-CD1 4.13Å; Y591-Y594 HydrophobicContact CE2-CD1 4.19Å; Y591-Y594 WeakPolarHBondContact O-CA 3.38Å; Y591-Y594 WeakPolarHBondContact O-CB 3.25Å; Y591-Y594 PolarHBondContact O-N 3.47Å; Y591-L595 HydrophobicContact CD1-CD1 4.4Å; Y591-L595 HydrophobicContact CD2-CG 4.28Å; Y591-L595 HydrophobicContact CE1-CD1 3.95Å; Y591-L595 HydrophobicContact CE1-CG 4.49Å; Y591-L595 HydrophobicContact CE2-CD1 4.23Å; Y591-L595 HydrophobicContact CE2-CD2 3.84Å; Y591-L595 HydrophobicContact CE2-CG 3.88Å; Y591-L595 WeakPolarHBondContact O-CG 3.3Å; Y591-L595 PolarHBondContact O-N 3.28Å; Y591-F609 HydrophobicContact CD1-CE1 4.29Å; Y591-F609 HydrophobicContact CD1-CE2 4.14Å; Y591-F609 AromaticContact CD1-CZ 3.77Å; Y591-F609 HydrophobicContact CD1-CZ 3.77Å; Y591-F609 HydrophobicContact CE1-CD1 4.17Å; Y591-F609 HydrophobicContact CE1-CD2 4.01Å; Y591-F609 AromaticContact CE1-CE1 3.74Å; Y591-F609 HydrophobicContact CE1-CE1 3.74Å; Y591-F609 AromaticContact CE1-CE2 3.58Å; Y591-F609 HydrophobicContact CE1-CE2 3.58Å; Y591-F609 HydrophobicContact CE1-CG 4.3Å; Y591-F609 AromaticContact CE1-CZ 3.44Å; Y591-F609 HydrophobicContact CE1-CZ 3.44Å; Y591-F609 VanDerWaalsContact CE1-CZ 3.44Å; Y591-F609 PolarHBondContact OH-O 2.61Å; Y591-M612 WeakPolarHBondContact OH-CB 3.31Å; Y591-L613 HydrophobicContact CD1-CD1 3.82Å; Y591-L613 HydrophobicContact CD2-CD1 4.12Å; Y591-L613 HydrophobicContact CE1-CB 3.94Å; Y591-L613 HydrophobicContact CE1-CD1 4.01Å; Y591-L613 HydrophobicContact CE1-CG 4.46Å; Y591-L613 HydrophobicContact CE2-CB 4.32Å; Y591-L613 HydrophobicContact CE2-CD1 4.34Å; Y591-L613 HydrophobicContact CG-CD1 3.86Å; Y591-L613 PolarHBondContact OH-N 3.36Å; Y591-L613 VanDerWaalsContact OH-N 3.11Å; Y591-F617 HydrophobicContact CD2-CB 3.58Å; Y591-F617 AromaticContact CD2-CD1 3.93Å; Y591-F617 HydrophobicContact CD2-CD1 3.93Å; Y591-F617 AromaticContact CD2-CD2 3.71Å; Y591-F617 HydrophobicContact CD2-CD2 3.71Å; Y591-F617 HydrophobicContact CD2-CE2 4.33Å; Y591-F617 AromaticContact CD2-CG 3.47Å; Y591-F617 HydrophobicContact CD2-CG 3.47Å; Y591-F617 VanDerWaalsContact CD2-CG 3.47Å; Y591-F617 HydrophobicContact CE2-CB 3.73Å; Y591-F617 HydrophobicContact CE2-CG 4.16Å; Y591-F617 HydrophobicContact CG-CD1 4.31Å; Y591-F617 HydrophobicContact CG-CD2 4.48Å; Y591-F617 HydrophobicContact CG-CG 4.26Å
592	L	95.5	Very high	91.9	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-59	-41.6	174.2	-64	-177.3	0	0	0	111.2	L576 F588 E589 Y594 L595 R596 T602	L576-L592 HydrophobicContact CD1-CD1 4.07Å; F588-L592 HydrophobicContact CD1-CD1 4.43Å; F588-L592 HydrophobicContact CD2-CG 4.48Å; F588-L592 HydrophobicContact CE1-CD1 3.86Å; F588-L592 HydrophobicContact CE2-CD1 4.13Å; F588-L592 HydrophobicContact CE2-CD2 4.09Å; F588-L592 HydrophobicContact CE2-CG 4.11Å; F588-L592 HydrophobicContact CZ-CD1 3.68Å; F588-L592 HydrophobicContact CZ-CD2 4.33Å; F588-L592 HydrophobicContact CZ-CG 4.18Å; F588-L592 WeakPolarHBondContact O-CG 3.19Å; F588-L592 PolarHBondContact O-N 2.88Å; E589-L592 PolarHBondContact O-N 3.35Å; L592-Y594 VanDerWaalsContact C-N 3.34Å; L592-L595 PolarHBondContact O-N 3.4Å; L592-R596 VanDerWaalsContact O-CG 3.3Å; L592-R596 WeakPolarHBondContact O-CG 3.4Å; L592-R596 PolarHBondContact O-N 3.38Å; L592-T602 HydrophobicContact CB-CG2 4.36Å; L592-T602 HydrophobicContact CD2-CG2 3.78Å
593	N	92.6	Very high	91.7	Very high	60 Å²	60	48.5 Å²	48.5	32%	0.321	25%	0.253	S	S	.	.	H	α-helix	trans	-67	-34.4	175.2	-73.4	-25.4	0	0	0	112.6	E589 Y591 R596 K597	E589-N593 WeakPolarHBondContact O-CB 3.1Å; E589-N593 VanDerWaalsContact O-CG 3.31Å; E589-N593 PolarHBondContact O-N 2.86Å; E589-N593 PolarHBondContact O-ND2 3.46Å; Y591-N593 VanDerWaalsContact C-N 3.27Å; Y591-N593 PolarHBondContact O-N 3.22Å; N593-R596 PolarHBondContact OD1-NH1 2.83Å; N593-K597 WeakPolarHBondContact O-CB 3.28Å; N593-K597 VanDerWaalsContact O-CG 3.28Å; N593-K597 WeakPolarHBondContact O-CG 3.29Å; N593-K597 PolarHBondContact O-N 3.11Å
594	Y	93.9	Very high	91.6	Very high	32 Å²	32	48.2 Å²	48.2	13%	0.125	25%	0.25	C	S	.	.	H	α-helix	trans	-64.9	-44.7	172.9	173.5	-103.6	0	0	0	111.9	S590 Y591 L592 R596 K597 L598 S616 F617 F623	S590-Y594 WeakPolarHBondContact O-CB 3.19Å; S590-Y594 PolarHBondContact O-N 3.13Å; Y591-Y594 HydrophobicContact CD2-CD1 4.13Å; Y591-Y594 HydrophobicContact CE2-CD1 4.19Å; Y591-Y594 WeakPolarHBondContact O-CA 3.38Å; Y591-Y594 WeakPolarHBondContact O-CB 3.25Å; Y591-Y594 PolarHBondContact O-N 3.47Å; L592-Y594 VanDerWaalsContact C-N 3.34Å; Y594-R596 PolarHBondContact O-N 3.45Å; Y594-K597 PolarHBondContact O-N 2.93Å; Y594-L598 HydrophobicContact CD1-CD1 4.1Å; Y594-L598 HydrophobicContact CE1-CD1 3.49Å; Y594-L598 VanDerWaalsContact CE1-CD1 3.49Å; Y594-L598 HydrophobicContact CE1-CG 4.47Å; Y594-L598 HydrophobicContact CE2-CD1 4.12Å; Y594-L598 HydrophobicContact CE2-CG 4.43Å; Y594-L598 WeakPolarHBondContact O-CG 3.33Å; Y594-L598 PolarHBondContact O-N 3.4Å; Y594-S616 PolarHBondContact OH-OG 3.48Å; Y594-F617 HydrophobicContact CD1-CB 4.04Å; Y594-F617 AromaticContact CD1-CD2 3.79Å; Y594-F617 HydrophobicContact CD1-CD2 3.79Å; Y594-F617 HydrophobicContact CD1-CG 4.38Å; Y594-F617 HydrophobicContact CD2-CD2 4.39Å; Y594-F617 HydrophobicContact CE1-CB 4.04Å; Y594-F617 HydrophobicContact CE1-CD2 4.44Å; Y594-F617 AromaticContact CG-CD2 3.73Å; Y594-F617 HydrophobicContact CG-CD2 3.73Å; Y594-F617 HydrophobicContact CG-CE2 4.42Å; Y594-F623 HydrophobicContact CD2-CD2 4.41Å; Y594-F623 AromaticContact CD2-CE2 3.71Å; Y594-F623 HydrophobicContact CD2-CE2 3.71Å; Y594-F623 HydrophobicContact CE2-CE2 4.43Å; Y594-F623 HydrophobicContact CG-CE2 4.15Å
595	L	94.9	Very high	91.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.8	-45.1	175.2	-67.2	178.8	0	0	0	111.7	Y591 L592 K597 L598 N599 V600 L604 F609 M612	Y591-L595 HydrophobicContact CD1-CD1 4.4Å; Y591-L595 HydrophobicContact CD2-CG 4.28Å; Y591-L595 HydrophobicContact CE1-CD1 3.95Å; Y591-L595 HydrophobicContact CE1-CG 4.49Å; Y591-L595 HydrophobicContact CE2-CD1 4.23Å; Y591-L595 HydrophobicContact CE2-CD2 3.84Å; Y591-L595 HydrophobicContact CE2-CG 3.88Å; Y591-L595 WeakPolarHBondContact O-CG 3.3Å; Y591-L595 PolarHBondContact O-N 3.28Å; L592-L595 PolarHBondContact O-N 3.4Å; L595-K597 VanDerWaalsContact C-N 3.32Å; L595-K597 PolarHBondContact O-N 3.04Å; L595-L598 CarbonylContact O-C 3.58Å; L595-L598 WeakPolarHBondContact O-CA 3.48Å; L595-L598 PolarHBondContact O-N 2.95Å; L595-L598 VanDerWaalsContact O-N 3.07Å; L595-N599 PolarHBondContact O-N 2.94Å; L595-V600 CarbonylContact C-O 3.55Å; L595-V600 HydrophobicContact CD2-CB 4.43Å; L595-V600 HydrophobicContact CD2-CG1 4.45Å; L595-V600 PolarHBondContact O-N 3.23Å; L595-L604 HydrophobicContact CD1-CD1 4.45Å; L595-L604 HydrophobicContact CD2-CD1 4.39Å; L595-F609 HydrophobicContact CD1-CE2 4.37Å; L595-M612 HydrophobicContact CD2-CE 3.39Å; L595-M612 HydrophobicContact CD2-SD 3.97Å
596	R	94.3	Very high	91.7	Very high	132 Å²	132	50.9 Å²	50.9	50%	0.498	27%	0.272	S	S	.	.	H	α-helix	trans	-59.3	-41.4	175.1	-70.9	171.3	-170.7	153.8	-2.2	112.2	L592 N593 Y594 L598 N599 T602	L592-R596 VanDerWaalsContact O-CG 3.3Å; L592-R596 WeakPolarHBondContact O-CG 3.4Å; L592-R596 PolarHBondContact O-N 3.38Å; N593-R596 PolarHBondContact OD1-NH1 2.83Å; Y594-R596 PolarHBondContact O-N 3.45Å; R596-L598 VanDerWaalsContact C-N 3.26Å; R596-L598 PolarHBondContact O-N 2.98Å; R596-N599 PolarHBondContact O-N 2.84Å; R596-N599 PolarHBondContact O-OD1 3.48Å; R596-T602 HydrophobicContact CG-CG2 4.49Å
597	K	91.6	Very high	91.6	Very high	169 Å²	169	57.8 Å²	57.8	74%	0.735	30%	0.301	S	S	*	.	H	α-helix	trans	-64.8	-29.3	175.7	-76.7	176.1	-178.4	-177.6	0	113.1	N593 Y594 L595 N599	N593-K597 WeakPolarHBondContact O-CB 3.28Å; N593-K597 VanDerWaalsContact O-CG 3.28Å; N593-K597 WeakPolarHBondContact O-CG 3.29Å; N593-K597 PolarHBondContact O-N 3.11Å; Y594-K597 PolarHBondContact O-N 2.93Å; L595-K597 VanDerWaalsContact C-N 3.32Å; L595-K597 PolarHBondContact O-N 3.04Å; K597-N599 VanDerWaalsContact C-N 3.25Å
598	L	91.9	Very high	91.5	Very high	85 Å²	85	61.6 Å²	61.6	45%	0.445	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	2.8	172.7	-66.1	179.5	0	0	0	113.1	Y594 L595 R596 V600 M612	Y594-L598 HydrophobicContact CD1-CD1 4.1Å; Y594-L598 HydrophobicContact CE1-CD1 3.49Å; Y594-L598 VanDerWaalsContact CE1-CD1 3.49Å; Y594-L598 HydrophobicContact CE1-CG 4.47Å; Y594-L598 HydrophobicContact CE2-CD1 4.12Å; Y594-L598 HydrophobicContact CE2-CG 4.43Å; Y594-L598 WeakPolarHBondContact O-CG 3.33Å; Y594-L598 PolarHBondContact O-N 3.4Å; L595-L598 CarbonylContact O-C 3.58Å; L595-L598 WeakPolarHBondContact O-CA 3.48Å; L595-L598 PolarHBondContact O-N 2.95Å; L595-L598 VanDerWaalsContact O-N 3.07Å; R596-L598 VanDerWaalsContact C-N 3.26Å; R596-L598 PolarHBondContact O-N 2.98Å; L598-V600 HydrophobicContact CB-CG2 3.93Å; L598-V600 PolarHBondContact O-N 3.09Å; L598-M612 HydrophobicContact CD1-CE 4.07Å
599	N	90.9	Very high	91.4	Very high	155 Å²	155	61.6 Å²	61.6	83%	0.829	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	32.7	-172.8	-60.5	-33.8	0	0	0	113.6	L595 R596 K597	L595-N599 PolarHBondContact O-N 2.94Å; R596-N599 PolarHBondContact O-N 2.84Å; R596-N599 PolarHBondContact O-OD1 3.48Å; K597-N599 VanDerWaalsContact C-N 3.25Å
600	V	90.7	Very high	91.4	Very high	44 Å²	44	59.7 Å²	59.7	27%	0.267	31%	0.313	S	S	.	.			trans	-101.8	137.9	177	-176.4	0	0	0	0	109.6	L595 L598 L604 M612	L595-V600 CarbonylContact C-O 3.55Å; L595-V600 HydrophobicContact CD2-CB 4.43Å; L595-V600 HydrophobicContact CD2-CG1 4.45Å; L595-V600 PolarHBondContact O-N 3.23Å; L598-V600 HydrophobicContact CB-CG2 3.93Å; L598-V600 PolarHBondContact O-N 3.09Å; V600-L604 HydrophobicContact CG1-CD1 3.84Å; V600-L604 HydrophobicContact CG1-CD2 3.78Å; V600-L604 HydrophobicContact CG1-CG 4.13Å; V600-M612 HydrophobicContact CG1-SD 4.35Å; V600-M612 HydrophobicContact CG2-CE 4.31Å
601	S	90.2	Very high	91.3	Very high	81 Å²	81	61.1 Å²	61.1	57%	0.566	32%	0.319	S	S	*	.			trans	-59.3	145.9	174.2	-178	0	0	0	0	111	G603 L604	S601-G603 PolarHBondContact OG-N 3.21Å; S601-L604 WeakPolarHBondContact O-CG 3.46Å
602	T	86.6	Confident	91.1	Very high	24 Å²	24	63.2 Å²	63.2	15%	0.147	33%	0.329	C	S	.	.	S	Bend	trans	-79.3	-21.6	176.1	59.3	0	0	0	0	112.7	Q572 L592 R596 L604	Q572-T602 PolarHBondContact NE2-O 2.87Å; Q572-T602 VanDerWaalsContact OE1-CB 3.31Å; Q572-T602 PolarHBondContact OE1-OG1 3.37Å; Q572-T602 VanDerWaalsContact OE1-OG1 3.05Å; L592-T602 HydrophobicContact CB-CG2 4.36Å; L592-T602 HydrophobicContact CD2-CG2 3.78Å; R596-T602 HydrophobicContact CG-CG2 4.49Å; T602-L604 VanDerWaalsContact C-N 3.3Å; T602-L604 PolarHBondContact O-N 3.09Å
603	G	86.1	Confident	91.1	Very high	35 Å²	35	63.1 Å²	63.1	36%	0.361	33%	0.329	S	S	.	.	S	Bend	trans	-87.6	52.5	178	0	0	0	0	0	113.1	W567 S601	W567-G603 WeakPolarHBondContact O-CA 3.43Å; S601-G603 PolarHBondContact OG-N 3.21Å
604	L	88.4	Confident	91.1	Very high	27 Å²	27	65 Å²	65	14%	0.141	33%	0.331	C	S	.	.			trans	-72.7	155.2	178.9	-71.3	169	0	0	0	111.6	W567 L595 V600 S601 T602 K606 N608 F609 M612	W567-L604 WeakPolarHBondContact CB-O 3.28Å; L595-L604 HydrophobicContact CD1-CD1 4.45Å; L595-L604 HydrophobicContact CD2-CD1 4.39Å; V600-L604 HydrophobicContact CG1-CD1 3.84Å; V600-L604 HydrophobicContact CG1-CD2 3.78Å; V600-L604 HydrophobicContact CG1-CG 4.13Å; S601-L604 WeakPolarHBondContact O-CG 3.46Å; T602-L604 VanDerWaalsContact C-N 3.3Å; T602-L604 PolarHBondContact O-N 3.09Å; L604-K606 PolarHBondContact O-N 3.5Å; L604-N608 HydrophobicContact CB-CB 4.33Å; L604-F609 HydrophobicContact CB-CB 4.05Å; L604-M612 HydrophobicContact CD1-SD 3.68Å
605	P	90.2	Very high	91.1	Very high	86 Å²	86	68 Å²	68	56%	0.558	35%	0.349	S	S	*	.			trans	-54.3	141.2	163.7	-22.9	33.3	0	0	0	110.7	K607 N608 F609	P605-K607 VanDerWaalsContact C-N 3.25Å; P605-K607 PolarHBondContact O-N 3.16Å; P605-N608 PolarHBondContact O-N 3.2Å; P605-F609 PolarHBondContact O-N 3.2Å
606	K	89.1	Confident	91	Very high	50 Å²	50	70.2 Å²	70.2	22%	0.217	37%	0.365	C	S	.	.	H	α-helix	trans	-38.9	-50.4	-178.7	174.6	-178.6	179.9	-172.2	0	114.1	W567 L604 F609 T610 E639 D641	W567-K606 HydrophobicContact CD2-CB 3.78Å; W567-K606 HydrophobicContact CD2-CG 3.97Å; W567-K606 HydrophobicContact CE3-CB 4.1Å; W567-K606 HydrophobicContact CE3-CG 3.82Å; W567-K606 HydrophobicContact CG-CB 4.23Å; W567-K606 HydrophobicContact CH2-CB 4.39Å; W567-K606 HydrophobicContact CH2-CD 3.57Å; W567-K606 HydrophobicContact CH2-CG 3.66Å; W567-K606 HydrophobicContact CZ2-CB 4.08Å; W567-K606 HydrophobicContact CZ2-CD 3.63Å; W567-K606 HydrophobicContact CZ2-CG 3.8Å; W567-K606 HydrophobicContact CZ3-CB 4.4Å; W567-K606 HydrophobicContact CZ3-CD 4.1Å; W567-K606 HydrophobicContact CZ3-CG 3.67Å; L604-K606 PolarHBondContact O-N 3.5Å; K606-F609 PolarHBondContact O-N 2.85Å; K606-T610 WeakPolarHBondContact O-CB 3.06Å; K606-T610 WeakPolarHBondContact O-CG2 3.24Å; K606-T610 PolarHBondContact O-N 2.91Å; K606-T610 PolarHBondContact O-OG1 3.36Å; K606-E639 IonicContact NZ-OE2 3.2Å; K606-E639 PolarHBondContact NZ-OE2 3.33Å; K606-D641 WeakPolarHBondContact CE-OD1 3.28Å; K606-D641 IonicContact NZ-OD1 3.52Å; K606-D641 PolarHBondContact NZ-OD1 3.46Å; K606-D641 IonicContact NZ-OD2 3.75Å
607	K	88.3	Confident	91.1	Very high	149 Å²	149	63.9 Å²	63.9	65%	0.648	34%	0.341	S	S	*	.	H	α-helix	trans	-61.2	-49.1	-178.7	-173.4	174.6	-178.4	176.8	0	112	P605 F609 T610 D611	P605-K607 VanDerWaalsContact C-N 3.25Å; P605-K607 PolarHBondContact O-N 3.16Å; K607-F609 PolarHBondContact O-N 3.5Å; K607-T610 PolarHBondContact O-N 2.85Å; K607-T610 PolarHBondContact O-OG1 2.68Å; K607-D611 WeakPolarHBondContact CG-OD2 3.4Å; K607-D611 VanDerWaalsContact O-CB 3.27Å; K607-D611 WeakPolarHBondContact O-CB 3.23Å; K607-D611 VanDerWaalsContact O-CG 3.28Å; K607-D611 PolarHBondContact O-N 3.46Å
608	N	90.8	Very high	91.2	Very high	81 Å²	81	56 Å²	56	43%	0.433	31%	0.307	S	S	.	.	H	α-helix	trans	-65.6	-40.6	178.7	-67.8	3	0	0	0	111.5	L604 P605 T610 M612	L604-N608 HydrophobicContact CB-CB 4.33Å; P605-N608 PolarHBondContact O-N 3.2Å; N608-T610 PolarHBondContact O-N 3.39Å; N608-M612 WeakPolarHBondContact O-CB 3.27Å; N608-M612 WeakPolarHBondContact O-CG 3.5Å; N608-M612 PolarHBondContact O-N 2.69Å
609	F	93.2	Very high	91.2	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.009	31%	0.312	C	S	.	.	H	α-helix	trans	-59.7	-46.6	176.9	-174	-87.4	0	0	0	111.7	W567 Y591 L595 L604 P605 K606 K607 L613	W567-F609 HydrophobicContact CB-CB 3.91Å; W567-F609 HydrophobicContact CB-CD1 4.31Å; W567-F609 HydrophobicContact CB-CD2 4.03Å; W567-F609 HydrophobicContact CB-CG 3.83Å; Y591-F609 HydrophobicContact CD1-CE1 4.29Å; Y591-F609 HydrophobicContact CD1-CE2 4.14Å; Y591-F609 AromaticContact CD1-CZ 3.77Å; Y591-F609 HydrophobicContact CD1-CZ 3.77Å; Y591-F609 HydrophobicContact CE1-CD1 4.17Å; Y591-F609 HydrophobicContact CE1-CD2 4.01Å; Y591-F609 AromaticContact CE1-CE1 3.74Å; Y591-F609 HydrophobicContact CE1-CE1 3.74Å; Y591-F609 AromaticContact CE1-CE2 3.58Å; Y591-F609 HydrophobicContact CE1-CE2 3.58Å; Y591-F609 HydrophobicContact CE1-CG 4.3Å; Y591-F609 AromaticContact CE1-CZ 3.44Å; Y591-F609 HydrophobicContact CE1-CZ 3.44Å; Y591-F609 VanDerWaalsContact CE1-CZ 3.44Å; Y591-F609 PolarHBondContact OH-O 2.61Å; L595-F609 HydrophobicContact CD1-CE2 4.37Å; L604-F609 HydrophobicContact CB-CB 4.05Å; P605-F609 PolarHBondContact O-N 3.2Å; K606-F609 PolarHBondContact O-N 2.85Å; K607-F609 PolarHBondContact O-N 3.5Å; F609-L613 VanDerWaalsContact O-CB 3.29Å; F609-L613 WeakPolarHBondContact O-CB 3.46Å; F609-L613 PolarHBondContact O-N 2.92Å; F609-L613 VanDerWaalsContact O-N 3.08Å
610	T	90.9	Very high	91.2	Very high	9 Å²	9	51.6 Å²	51.6	6%	0.055	28%	0.28	C	S	.	.	H	α-helix	trans	-74.6	-37.8	-178.1	50.3	0	0	0	0	112.6	K606 K607 N608 L613 R614	K606-T610 WeakPolarHBondContact O-CB 3.06Å; K606-T610 WeakPolarHBondContact O-CG2 3.24Å; K606-T610 PolarHBondContact O-N 2.91Å; K606-T610 PolarHBondContact O-OG1 3.36Å; K607-T610 PolarHBondContact O-N 2.85Å; K607-T610 PolarHBondContact O-OG1 2.68Å; N608-T610 PolarHBondContact O-N 3.39Å; T610-L613 PolarHBondContact O-N 3.35Å; T610-R614 WeakPolarHBondContact O-CB 3.35Å; T610-R614 PolarHBondContact O-N 3.49Å
611	D	91	Very high	91	Very high	61 Å²	61	54.2 Å²	54.2	33%	0.326	30%	0.298	S	S	.	.	H	α-helix	trans	-64.5	-45.7	175.4	-77.5	-26.6	0	0	0	111.5	K607 L613 R614 N615	K607-D611 WeakPolarHBondContact CG-OD2 3.4Å; K607-D611 VanDerWaalsContact O-CB 3.27Å; K607-D611 WeakPolarHBondContact O-CB 3.23Å; K607-D611 VanDerWaalsContact O-CG 3.28Å; K607-D611 PolarHBondContact O-N 3.46Å; D611-L613 VanDerWaalsContact C-N 3.34Å; D611-L613 PolarHBondContact O-N 3.48Å; D611-R614 PolarHBondContact O-N 3.02Å; D611-N615 VanDerWaalsContact O-CB 3.27Å; D611-N615 WeakPolarHBondContact O-CB 3.12Å; D611-N615 PolarHBondContact O-N 3.33Å
612	M	92.9	Very high	90.8	Very high	44 Å²	44	53.8 Å²	53.8	22%	0.217	29%	0.287	C	S	.	.	H	α-helix	trans	-64.3	-39.4	175.5	-75.6	-173.7	75.4	0	0	111.9	Y591 L595 L598 V600 L604 N608 S616 F617	Y591-M612 WeakPolarHBondContact OH-CB 3.31Å; L595-M612 HydrophobicContact CD2-CE 3.39Å; L595-M612 HydrophobicContact CD2-SD 3.97Å; L598-M612 HydrophobicContact CD1-CE 4.07Å; V600-M612 HydrophobicContact CG1-SD 4.35Å; V600-M612 HydrophobicContact CG2-CE 4.31Å; L604-M612 HydrophobicContact CD1-SD 3.68Å; N608-M612 WeakPolarHBondContact O-CB 3.27Å; N608-M612 WeakPolarHBondContact O-CG 3.5Å; N608-M612 PolarHBondContact O-N 2.69Å; M612-S616 WeakPolarHBondContact O-CA 3.1Å; M612-S616 VanDerWaalsContact O-CB 3.24Å; M612-S616 WeakPolarHBondContact O-CB 3.31Å; M612-S616 PolarHBondContact O-N 3.2Å; M612-S616 VanDerWaalsContact O-N 3.08Å; M612-F617 PolarHBondContact O-N 3.13Å
613	L	95.1	Very high	91	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60	-53	176.5	178.5	64	0	0	0	110.4	W587 Y591 F609 T610 D611 F617 L618 I630 F632 V642	W587-L613 HydrophobicContact CE3-CD1 3.94Å; W587-L613 HydrophobicContact CH2-CD2 4.34Å; W587-L613 HydrophobicContact CZ3-CD1 3.82Å; W587-L613 HydrophobicContact CZ3-CD2 3.87Å; Y591-L613 HydrophobicContact CD1-CD1 3.82Å; Y591-L613 HydrophobicContact CD2-CD1 4.12Å; Y591-L613 HydrophobicContact CE1-CB 3.94Å; Y591-L613 HydrophobicContact CE1-CD1 4.01Å; Y591-L613 HydrophobicContact CE1-CG 4.46Å; Y591-L613 HydrophobicContact CE2-CB 4.32Å; Y591-L613 HydrophobicContact CE2-CD1 4.34Å; Y591-L613 HydrophobicContact CG-CD1 3.86Å; Y591-L613 PolarHBondContact OH-N 3.36Å; Y591-L613 VanDerWaalsContact OH-N 3.11Å; F609-L613 VanDerWaalsContact O-CB 3.29Å; F609-L613 WeakPolarHBondContact O-CB 3.46Å; F609-L613 PolarHBondContact O-N 2.92Å; F609-L613 VanDerWaalsContact O-N 3.08Å; T610-L613 PolarHBondContact O-N 3.35Å; D611-L613 VanDerWaalsContact C-N 3.34Å; D611-L613 PolarHBondContact O-N 3.48Å; L613-F617 HydrophobicContact CD1-CD1 3.74Å; L613-F617 HydrophobicContact CD1-CE1 4.34Å; L613-L618 HydrophobicContact CD1-CG 4.37Å; L613-L618 HydrophobicContact CG-CD1 4.39Å; L613-L618 WeakPolarHBondContact O-CB 3.21Å; L613-L618 WeakPolarHBondContact O-CG 3.23Å; L613-L618 PolarHBondContact O-N 2.86Å; L613-I630 HydrophobicContact CD1-CD1 4.2Å; L613-I630 HydrophobicContact CD2-CD1 4.16Å; L613-I630 HydrophobicContact CG-CD1 4.47Å; L613-F632 HydrophobicContact CD2-CE1 4.05Å; L613-F632 HydrophobicContact CD2-CZ 4.08Å; L613-F632 HydrophobicContact CG-CZ 4.34Å; L613-V642 HydrophobicContact CD2-CG2 4.45Å
614	R	93.1	Very high	91	Very high	99 Å²	99	54.7 Å²	54.7	37%	0.374	29%	0.286	S	S	.	.	H	α-helix	trans	-76.9	-40.9	-172.5	-173.7	177	172.4	-142.6	-7.3	114.1	T610 D611	T610-R614 WeakPolarHBondContact O-CB 3.35Å; T610-R614 PolarHBondContact O-N 3.49Å; D611-R614 PolarHBondContact O-N 3.02Å
615	N	92	Very high	90.7	Very high	94 Å²	94	55.1 Å²	55.1	50%	0.503	29%	0.287	S	S	.	.	H	α-helix	trans	-102	-17.4	-168.7	-57.4	-34.8	0	0	0	113.1	D611 K619	D611-N615 VanDerWaalsContact O-CB 3.27Å; D611-N615 WeakPolarHBondContact O-CB 3.12Å; D611-N615 PolarHBondContact O-N 3.33Å; N615-K619 WeakPolarHBondContact O-CG 3.24Å
616	S	93.8	Very high	90.6	Very high	47 Å²	47	51.4 Å²	51.4	33%	0.329	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-64.2	178	-162.5	0	0	0	0	111.9	Y594 M612 K619 A620	Y594-S616 PolarHBondContact OH-OG 3.48Å; M612-S616 WeakPolarHBondContact O-CA 3.1Å; M612-S616 VanDerWaalsContact O-CB 3.24Å; M612-S616 WeakPolarHBondContact O-CB 3.31Å; M612-S616 PolarHBondContact O-N 3.2Å; M612-S616 VanDerWaalsContact O-N 3.08Å; S616-K619 PolarHBondContact O-N 3.04Å; S616-A620 PolarHBondContact O-N 2.95Å; S616-A620 VanDerWaalsContact O-N 3.15Å
617	F	95.7	Very high	90.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-62.9	-57.1	-174.5	174.5	-102.8	0	0	0	112.2	Y591 Y594 M612 L613 K619 A620 F623 F626	Y591-F617 HydrophobicContact CD2-CB 3.58Å; Y591-F617 AromaticContact CD2-CD1 3.93Å; Y591-F617 HydrophobicContact CD2-CD1 3.93Å; Y591-F617 AromaticContact CD2-CD2 3.71Å; Y591-F617 HydrophobicContact CD2-CD2 3.71Å; Y591-F617 HydrophobicContact CD2-CE2 4.33Å; Y591-F617 AromaticContact CD2-CG 3.47Å; Y591-F617 HydrophobicContact CD2-CG 3.47Å; Y591-F617 VanDerWaalsContact CD2-CG 3.47Å; Y591-F617 HydrophobicContact CE2-CB 3.73Å; Y591-F617 HydrophobicContact CE2-CG 4.16Å; Y591-F617 HydrophobicContact CG-CD1 4.31Å; Y591-F617 HydrophobicContact CG-CD2 4.48Å; Y591-F617 HydrophobicContact CG-CG 4.26Å; Y594-F617 HydrophobicContact CD1-CB 4.04Å; Y594-F617 AromaticContact CD1-CD2 3.79Å; Y594-F617 HydrophobicContact CD1-CD2 3.79Å; Y594-F617 HydrophobicContact CD1-CG 4.38Å; Y594-F617 HydrophobicContact CD2-CD2 4.39Å; Y594-F617 HydrophobicContact CE1-CB 4.04Å; Y594-F617 HydrophobicContact CE1-CD2 4.44Å; Y594-F617 AromaticContact CG-CD2 3.73Å; Y594-F617 HydrophobicContact CG-CD2 3.73Å; Y594-F617 HydrophobicContact CG-CE2 4.42Å; M612-F617 PolarHBondContact O-N 3.13Å; L613-F617 HydrophobicContact CD1-CD1 3.74Å; L613-F617 HydrophobicContact CD1-CE1 4.34Å; F617-K619 PolarHBondContact O-N 3.1Å; F617-K619 VanDerWaalsContact O-N 3.12Å; F617-A620 WeakPolarHBondContact O-CB 3.15Å; F617-A620 PolarHBondContact O-N 3.21Å; F617-F623 HydrophobicContact CD1-CB 4.33Å; F617-F623 HydrophobicContact CD2-CB 4.04Å; F617-F623 HydrophobicContact CD2-CD1 4.47Å; F617-F623 AromaticContact CD2-CD2 3.27Å; F617-F623 HydrophobicContact CD2-CD2 3.27Å; F617-F623 AromaticContact CD2-CE2 3.73Å; F617-F623 HydrophobicContact CD2-CE2 3.73Å; F617-F623 AromaticContact CD2-CG 3.7Å; F617-F623 HydrophobicContact CD2-CG 3.7Å; F617-F623 HydrophobicContact CE1-CB 4.02Å; F617-F623 HydrophobicContact CE1-CG 4.36Å; F617-F623 HydrophobicContact CE2-CB 3.73Å; F617-F623 AromaticContact CE2-CD1 3.56Å; F617-F623 HydrophobicContact CE2-CD1 3.56Å; F617-F623 AromaticContact CE2-CD2 3.15Å; F617-F623 HydrophobicContact CE2-CD2 3.15Å; F617-F623 AromaticContact CE2-CE1 3.88Å; F617-F623 HydrophobicContact CE2-CE1 3.88Å; F617-F623 AromaticContact CE2-CE2 3.49Å; F617-F623 HydrophobicContact CE2-CE2 3.49Å; F617-F623 VanDerWaalsContact CE2-CE2 3.49Å; F617-F623 AromaticContact CE2-CG 3.19Å; F617-F623 HydrophobicContact CE2-CG 3.19Å; F617-F623 AromaticContact CE2-CZ 3.86Å; F617-F623 HydrophobicContact CE2-CZ 3.86Å; F617-F623 HydrophobicContact CG-CB 4.35Å; F617-F623 HydrophobicContact CG-CD2 4.23Å; F617-F623 HydrophobicContact CG-CG 4.48Å; F617-F623 HydrophobicContact CZ-CB 3.71Å; F617-F623 AromaticContact CZ-CD1 3.76Å; F617-F623 HydrophobicContact CZ-CD1 3.76Å; F617-F623 HydrophobicContact CZ-CD2 4.03Å; F617-F623 HydrophobicContact CZ-CE1 4.37Å; F617-F623 AromaticContact CZ-CG 3.57Å; F617-F623 HydrophobicContact CZ-CG 3.57Å; F617-F623 WeakPolarHBondContact O-CB 3.23Å; F617-F626 HydrophobicContact CE1-CB 4.41Å; F617-F626 HydrophobicContact CE1-CD2 4.04Å; F617-F626 AromaticContact CZ-CD2 3.83Å; F617-F626 HydrophobicContact CZ-CD2 3.83Å; F617-F626 HydrophobicContact CZ-CE2 4.32Å
618	L	93.7	Very high	90.2	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.016	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-68.4	-10.2	-179.3	-66.9	179.7	0	0	0	113.8	L613 S624 F626 Q627 I630 F632	L613-L618 HydrophobicContact CD1-CG 4.37Å; L613-L618 HydrophobicContact CG-CD1 4.39Å; L613-L618 WeakPolarHBondContact O-CB 3.21Å; L613-L618 WeakPolarHBondContact O-CG 3.23Å; L613-L618 PolarHBondContact O-N 2.86Å; L618-S624 WeakPolarHBondContact O-CA 3.28Å; L618-F626 HydrophobicContact CD2-CB 3.79Å; L618-Q627 HydrophobicContact CD1-CB 4.42Å; L618-Q627 HydrophobicContact CD1-CG 4.41Å; L618-Q627 HydrophobicContact CD2-CB 4.35Å; L618-I630 HydrophobicContact CD1-CD1 4.26Å; L618-I630 HydrophobicContact CD2-CD1 4.44Å; L618-F632 HydrophobicContact CD1-CE2 3.7Å; L618-F632 HydrophobicContact CD1-CZ 3.67Å
619	K	92.3	Very high	90.1	Very high	130 Å²	130	44.6 Å²	44.6	57%	0.565	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-93.1	-17	173.1	-63.3	-54.5	-177.2	-170.2	0	113.1	N615 S616 F617	N615-K619 WeakPolarHBondContact O-CG 3.24Å; S616-K619 PolarHBondContact O-N 3.04Å; F617-K619 PolarHBondContact O-N 3.1Å; F617-K619 VanDerWaalsContact O-N 3.12Å
620	A	91.2	Very high	90	Very high	17 Å²	17	44.9 Å²	44.9	14%	0.14	23%	0.232	C	C	.	.	S	Bend	trans	-66.6	132.2	173.7	0	0	0	0	0	109.7	S616 F617 Q622 F623 S624	S616-A620 PolarHBondContact O-N 2.95Å; S616-A620 VanDerWaalsContact O-N 3.15Å; F617-A620 WeakPolarHBondContact O-CB 3.15Å; F617-A620 PolarHBondContact O-N 3.21Å; A620-Q622 HydrophobicContact CB-CG 4.19Å; A620-Q622 PolarHBondContact O-N 3.16Å; A620-Q622 VanDerWaalsContact O-N 3.15Å; A620-F623 HydrophobicContact CB-CD2 4.07Å; A620-F623 CarbonylContact O-C 3.48Å; A620-F623 PolarHBondContact O-N 3.49Å; A620-S624 PolarHBondContact O-N 2.92Å
621	P	85.6	Confident	90	Very high	100 Å²	100	47.2 Å²	47.2	65%	0.649	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-39	-175.3	20.4	-32.1	0	0	0	112.2	F623 S624	P621-F623 PolarHBondContact O-N 3.47Å; P621-S624 PolarHBondContact O-OG 3.3Å
622	Q	86.7	Confident	90	Very high	71 Å²	71	47 Å²	47	33%	0.332	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-20.2	177.4	71.6	-167	-1.6	0	0	114.6	A620 H625	A620-Q622 HydrophobicContact CB-CG 4.19Å; A620-Q622 PolarHBondContact O-N 3.16Å; A620-Q622 VanDerWaalsContact O-N 3.15Å; Q622-H625 PolarHBondContact O-CE1 3.22Å
623	F	90.7	Very high	89.7	Confident	26 Å²	26	47.4 Å²	47.4	11%	0.114	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125	-3.1	-176.2	-58.8	-50.7	0	0	0	113.8	Y594 F617 A620 P621 H625 F626	Y594-F623 HydrophobicContact CD2-CD2 4.41Å; Y594-F623 AromaticContact CD2-CE2 3.71Å; Y594-F623 HydrophobicContact CD2-CE2 3.71Å; Y594-F623 HydrophobicContact CE2-CE2 4.43Å; Y594-F623 HydrophobicContact CG-CE2 4.15Å; F617-F623 HydrophobicContact CD1-CB 4.33Å; F617-F623 HydrophobicContact CD2-CB 4.04Å; F617-F623 HydrophobicContact CD2-CD1 4.47Å; F617-F623 AromaticContact CD2-CD2 3.27Å; F617-F623 HydrophobicContact CD2-CD2 3.27Å; F617-F623 AromaticContact CD2-CE2 3.73Å; F617-F623 HydrophobicContact CD2-CE2 3.73Å; F617-F623 AromaticContact CD2-CG 3.7Å; F617-F623 HydrophobicContact CD2-CG 3.7Å; F617-F623 HydrophobicContact CE1-CB 4.02Å; F617-F623 HydrophobicContact CE1-CG 4.36Å; F617-F623 HydrophobicContact CE2-CB 3.73Å; F617-F623 AromaticContact CE2-CD1 3.56Å; F617-F623 HydrophobicContact CE2-CD1 3.56Å; F617-F623 AromaticContact CE2-CD2 3.15Å; F617-F623 HydrophobicContact CE2-CD2 3.15Å; F617-F623 AromaticContact CE2-CE1 3.88Å; F617-F623 HydrophobicContact CE2-CE1 3.88Å; F617-F623 AromaticContact CE2-CE2 3.49Å; F617-F623 HydrophobicContact CE2-CE2 3.49Å; F617-F623 VanDerWaalsContact CE2-CE2 3.49Å; F617-F623 AromaticContact CE2-CG 3.19Å; F617-F623 HydrophobicContact CE2-CG 3.19Å; F617-F623 AromaticContact CE2-CZ 3.86Å; F617-F623 HydrophobicContact CE2-CZ 3.86Å; F617-F623 HydrophobicContact CG-CB 4.35Å; F617-F623 HydrophobicContact CG-CD2 4.23Å; F617-F623 HydrophobicContact CG-CG 4.48Å; F617-F623 HydrophobicContact CZ-CB 3.71Å; F617-F623 AromaticContact CZ-CD1 3.76Å; F617-F623 HydrophobicContact CZ-CD1 3.76Å; F617-F623 HydrophobicContact CZ-CD2 4.03Å; F617-F623 HydrophobicContact CZ-CE1 4.37Å; F617-F623 AromaticContact CZ-CG 3.57Å; F617-F623 HydrophobicContact CZ-CG 3.57Å; F617-F623 WeakPolarHBondContact O-CB 3.23Å; A620-F623 HydrophobicContact CB-CD2 4.07Å; A620-F623 CarbonylContact O-C 3.48Å; A620-F623 PolarHBondContact O-N 3.49Å; P621-F623 PolarHBondContact O-N 3.47Å; F623-H625 PolarHBondContact O-N 3.08Å; F623-H625 VanDerWaalsContact O-N 3.13Å; F623-F626 HydrophobicContact CB-CD2 4.16Å; F623-F626 HydrophobicContact CD1-CD2 4.14Å; F623-F626 AromaticContact CD1-CE2 3.95Å; F623-F626 HydrophobicContact CD1-CE2 3.95Å; F623-F626 WeakPolarHBondContact O-CB 3.36Å; F623-F626 PolarHBondContact O-N 3.45Å
624	S	87	Confident	89	Confident	53 Å²	53	53.7 Å²	53.7	37%	0.371	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-54.8	-33.2	-177.4	60	0	0	0	0	114.1	L618 A620 P621 F626 Q627	L618-S624 WeakPolarHBondContact O-CA 3.28Å; A620-S624 PolarHBondContact O-N 2.92Å; P621-S624 PolarHBondContact O-OG 3.3Å; S624-F626 VanDerWaalsContact C-N 3.25Å; S624-F626 PolarHBondContact O-N 3.16Å; S624-Q627 VanDerWaalsContact O-CB 3.29Å; S624-Q627 WeakPolarHBondContact O-CB 3.25Å; S624-Q627 PolarHBondContact O-N 3.28Å; S624-Q627 VanDerWaalsContact O-N 3.16Å
625	H	81	Confident	88.2	Confident	36 Å²	36	54.5 Å²	54.5	17%	0.167	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-59.5	-32.3	175.4	63.6	-76.5	0	0	0	112.7	H81 Q622 F623 Q627	H81-H625 PolarHBondContact CE1-O 3.18Å; H81-H625 PolarHBondContact NE2-O 3.48Å; Q622-H625 PolarHBondContact O-CE1 3.22Å; F623-H625 PolarHBondContact O-N 3.08Å; F623-H625 VanDerWaalsContact O-N 3.13Å; H625-Q627 PolarHBondContact O-N 2.96Å
626	F	88.3	Confident	87.3	Confident	8 Å²	8	61.4 Å²	61.4	4%	0.035	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-66.5	-8.1	178.7	-69.2	-51.5	0	0	0	114.3	W587 F617 L618 F623 S624 E628 D629	W587-F626 HydrophobicContact CB-CB 3.57Å; W587-F626 HydrophobicContact CB-CD1 3.53Å; W587-F626 HydrophobicContact CB-CD2 4.07Å; W587-F626 HydrophobicContact CB-CE1 4.2Å; W587-F626 HydrophobicContact CB-CG 3.47Å; W587-F626 VanDerWaalsContact CB-CG 3.47Å; F617-F626 HydrophobicContact CE1-CB 4.41Å; F617-F626 HydrophobicContact CE1-CD2 4.04Å; F617-F626 AromaticContact CZ-CD2 3.83Å; F617-F626 HydrophobicContact CZ-CD2 3.83Å; F617-F626 HydrophobicContact CZ-CE2 4.32Å; L618-F626 HydrophobicContact CD2-CB 3.79Å; F623-F626 HydrophobicContact CB-CD2 4.16Å; F623-F626 HydrophobicContact CD1-CD2 4.14Å; F623-F626 AromaticContact CD1-CE2 3.95Å; F623-F626 HydrophobicContact CD1-CE2 3.95Å; F623-F626 WeakPolarHBondContact O-CB 3.36Å; F623-F626 PolarHBondContact O-N 3.45Å; S624-F626 VanDerWaalsContact C-N 3.25Å; S624-F626 PolarHBondContact O-N 3.16Å; F626-E628 PolarHBondContact O-N 3.47Å; F626-D629 WeakPolarHBondContact CD1-OD2 3.39Å; F626-D629 PolarHBondContact O-N 2.88Å; F626-D629 VanDerWaalsContact O-N 3.09Å
627	Q	87.9	Confident	86.2	Confident	96 Å²	96	65.6 Å²	65.6	45%	0.449	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-60.6	-32.1	-178.8	-175.1	-179.6	-35.3	0	0	112.5	L618 S624 H625 D629	L618-Q627 HydrophobicContact CD1-CB 4.42Å; L618-Q627 HydrophobicContact CD1-CG 4.41Å; L618-Q627 HydrophobicContact CD2-CB 4.35Å; S624-Q627 VanDerWaalsContact O-CB 3.29Å; S624-Q627 WeakPolarHBondContact O-CB 3.25Å; S624-Q627 PolarHBondContact O-N 3.28Å; S624-Q627 VanDerWaalsContact O-N 3.16Å; H625-Q627 PolarHBondContact O-N 2.96Å; Q627-D629 VanDerWaalsContact C-N 3.33Å
628	E	81.8	Confident	85.1	Confident	37 Å²	37	71.8 Å²	71.8	17%	0.173	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-84.6	-9.8	179.9	-52.6	-171.3	179.6	0	0	113.3	S79 K80 H81 N144 F626 I630	S79-E628 WeakPolarHBondContact CA-OE2 3.32Å; K80-E628 PolarHBondContact N-OE2 2.88Å; H81-E628 VanDerWaalsContact CE1-CB 3.46Å; H81-E628 WeakPolarHBondContact CE1-CB 3.25Å; H81-E628 IonicContact CE1-OE2 3.31Å; H81-E628 IonicContact ND1-OE2 3.58Å; H81-E628 PolarHBondContact ND1-OE2 3.48Å; N144-E628 PolarHBondContact ND2-OE1 3.4Å; F626-E628 PolarHBondContact O-N 3.47Å; E628-I630 PolarHBondContact O-N 2.98Å
629	D	87.4	Confident	84.4	Confident	3 Å²	3	75.9 Å²	75.9	2%	0.016	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-83.3	-1	176.2	-60.2	-34.9	0	0	0	112.1	H81 F626 Q627 S645 R646	H81-D629 IonicContact NE2-OD1 2.65Å; H81-D629 IonicContact NE2-OD2 3.99Å; F626-D629 WeakPolarHBondContact CD1-OD2 3.39Å; F626-D629 PolarHBondContact O-N 2.88Å; F626-D629 VanDerWaalsContact O-N 3.09Å; Q627-D629 VanDerWaalsContact C-N 3.33Å; D629-S645 CarbonylContact O-C 3.5Å; D629-S645 WeakPolarHBondContact O-CA 3.41Å; D629-S645 WeakPolarHBondContact O-CB 3.37Å; D629-R646 HydrophobicContact CB-CG 3.87Å; D629-R646 PolarHBondContact O-N 3.44Å; D629-R646 IonicContact OD1-CZ 3.73Å; D629-R646 VanDerWaalsContact OD1-CZ 3.25Å; D629-R646 IonicContact OD1-NE 3.57Å; D629-R646 PolarHBondContact OD1-NE 2.76Å; D629-R646 IonicContact OD1-NH2 2.66Å; D629-R646 PolarHBondContact OD1-NH2 2.7Å
630	I	91.7	Very high	84	Confident	9 Å²	9	70.4 Å²	70.4	5%	0.046	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	124.4	-174.8	-49.7	177.2	0	0	0	109.7	W587 L613 L618 E628 F632 V642	W587-I630 HydrophobicContact CD2-CD1 3.41Å; W587-I630 VanDerWaalsContact CD2-CD1 3.41Å; W587-I630 HydrophobicContact CD2-CG1 3.84Å; W587-I630 HydrophobicContact CE3-CD1 3.48Å; W587-I630 VanDerWaalsContact CE3-CD1 3.48Å; W587-I630 HydrophobicContact CE3-CG1 4.39Å; W587-I630 HydrophobicContact CG-CD1 3.89Å; W587-I630 HydrophobicContact CG-CG1 4.04Å; W587-I630 HydrophobicContact CH2-CD1 4.19Å; W587-I630 HydrophobicContact CZ2-CD1 4.13Å; W587-I630 HydrophobicContact CZ2-CG1 4.25Å; W587-I630 HydrophobicContact CZ3-CD1 3.88Å; L613-I630 HydrophobicContact CD1-CD1 4.2Å; L613-I630 HydrophobicContact CD2-CD1 4.16Å; L613-I630 HydrophobicContact CG-CD1 4.47Å; L618-I630 HydrophobicContact CD1-CD1 4.26Å; L618-I630 HydrophobicContact CD2-CD1 4.44Å; E628-I630 PolarHBondContact O-N 2.98Å; I630-F632 HydrophobicContact CB-CE2 3.91Å; I630-F632 HydrophobicContact CB-CZ 4.01Å; I630-F632 HydrophobicContact CD1-CZ 4.25Å; I630-F632 HydrophobicContact CG2-CD1 4.17Å; I630-F632 HydrophobicContact CG2-CD2 4.19Å; I630-F632 HydrophobicContact CG2-CE1 3.71Å; I630-F632 HydrophobicContact CG2-CE2 3.71Å; I630-F632 HydrophobicContact CG2-CG 4.41Å; I630-F632 HydrophobicContact CG2-CZ 3.46Å; I630-F632 VanDerWaalsContact CG2-CZ 3.46Å; I630-V642 HydrophobicContact CG2-CB 4.39Å; I630-V642 HydrophobicContact CG2-CG1 3.68Å; I630-V642 HydrophobicContact CG2-CG2 3.94Å
631	I	90.5	Very high	83.8	Confident	57 Å²	57	70 Å²	70	29%	0.292	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	109.4	173.9	-54.9	-176.5	0	0	0	108.4	L73 F74 V643 A644	L73-I631 WeakPolarHBondContact O-CD1 3.24Å; F74-I631 HydrophobicContact CD1-CD1 4.34Å; F74-I631 HydrophobicContact CD1-CG1 4.49Å; F74-I631 HydrophobicContact CE1-CD1 3.93Å; F74-I631 HydrophobicContact CE1-CG1 3.78Å; F74-I631 HydrophobicContact CE2-CD1 4.41Å; F74-I631 HydrophobicContact CZ-CD1 3.95Å; F74-I631 HydrophobicContact CZ-CG1 4.01Å; I631-V643 PolarHBondContact O-N 3.09Å; I631-A644 HydrophobicContact CB-CB 4.34Å; I631-A644 HydrophobicContact CD1-CB 4.14Å; I631-A644 HydrophobicContact CG1-CB 4.42Å; I631-A644 PolarHBondContact N-O 3.24Å
632	F	90.6	Very high	84	Confident	56 Å²	56	65.4 Å²	65.4	25%	0.246	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	140.4	175.2	-62.9	-75.8	0	0	0	111.1	L613 L618 I630 V640 D641 V642	L613-F632 HydrophobicContact CD2-CE1 4.05Å; L613-F632 HydrophobicContact CD2-CZ 4.08Å; L613-F632 HydrophobicContact CG-CZ 4.34Å; L618-F632 HydrophobicContact CD1-CE2 3.7Å; L618-F632 HydrophobicContact CD1-CZ 3.67Å; I630-F632 HydrophobicContact CB-CE2 3.91Å; I630-F632 HydrophobicContact CB-CZ 4.01Å; I630-F632 HydrophobicContact CD1-CZ 4.25Å; I630-F632 HydrophobicContact CG2-CD1 4.17Å; I630-F632 HydrophobicContact CG2-CD2 4.19Å; I630-F632 HydrophobicContact CG2-CE1 3.71Å; I630-F632 HydrophobicContact CG2-CE2 3.71Å; I630-F632 HydrophobicContact CG2-CG 4.41Å; I630-F632 HydrophobicContact CG2-CZ 3.46Å; I630-F632 VanDerWaalsContact CG2-CZ 3.46Å; F632-V640 HydrophobicContact CB-CG1 3.97Å; F632-V640 HydrophobicContact CD1-CG1 3.68Å; F632-V640 HydrophobicContact CG-CG1 4.18Å; F632-D641 WeakPolarHBondContact CA-O 3.36Å; F632-V642 HydrophobicContact CD1-CG2 4.17Å; F632-V642 HydrophobicContact CE1-CG2 3.9Å
633	S	87.6	Confident	84.2	Confident	54 Å²	54	64.9 Å²	64.9	38%	0.378	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	142.4	166.5	-178.8	0	0	0	0	110.5	V640 D641	S633-V640 WeakPolarHBondContact O-CA 3.28Å; S633-D641 PolarHBondContact N-O 2.88Å; S633-D641 PolarHBondContact O-N 3.26Å
634	K	81.4	Confident	84.2	Confident	132 Å²	132	63.7 Å²	63.7	57%	0.574	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	124.1	172.4	-72	-174.1	173.1	-166.1	0	109.2	V640	K634-V640 HydrophobicContact CG-CG2 4.27Å
635	K	75.9	Confident	84.5	Confident	115 Å²	115	61.2 Å²	61.2	50%	0.5	29%	0.294	S	S	.	.			trans	-83.5	167.7	168.5	-75.2	179.9	169.5	165.7	0	110.8	N637 D638 E639 D641	K635-N637 PolarHBondContact O-N 3.01Å; K635-N637 VanDerWaalsContact O-N 3.13Å; K635-D638 PolarHBondContact O-N 3.35Å; K635-D638 VanDerWaalsContact O-N 3.14Å; K635-E639 PolarHBondContact N-O 2.66Å; K635-D641 VanDerWaalsContact CD-OD2 3.3Å; K635-D641 WeakPolarHBondContact CD-OD2 3.48Å; K635-D641 WeakPolarHBondContact CE-OD2 3.26Å; K635-D641 IonicContact NZ-OD2 2.73Å; K635-D641 PolarHBondContact NZ-OD2 3.05Å
636	Y	72.7	Confident	84.9	Confident	239 Å²	239	59.6 Å²	59.6	94%	0.937	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-29.2	179.6	-69.3	-79.8	0	0	0	114.2	D638	Y636-D638 PolarHBondContact O-N 2.97Å
637	N	71	Confident	85	Confident	135 Å²	135	59.3 Å²	59.3	72%	0.722	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	18.5	-179.7	-69.6	3	0	0	0	114.1	K635 E639	K635-N637 PolarHBondContact O-N 3.01Å; K635-N637 VanDerWaalsContact O-N 3.13Å; N637-E639 HydrophobicContact CB-CG 4.25Å; N637-E639 PolarHBondContact O-N 3.33Å
638	D	72.3	Confident	85	Confident	130 Å²	130	54.9 Å²	54.9	70%	0.695	27%	0.265	S	S	*	.	S	Bend	trans	57.6	8.8	-168.3	-81.4	-44.1	0	0	0	114.8	K635 Y636 V640	K635-D638 PolarHBondContact O-N 3.35Å; K635-D638 VanDerWaalsContact O-N 3.14Å; Y636-D638 PolarHBondContact O-N 2.97Å; D638-V640 PolarHBondContact O-N 3.13Å
639	E	78.5	Confident	85.4	Confident	89 Å²	89	53.1 Å²	53.1	42%	0.416	26%	0.257	S	S	.	.			trans	-69.6	129.1	172.1	-71.4	-169.5	-166.4	0	0	110.5	K606 K635 N637	K606-E639 IonicContact NZ-OE2 3.2Å; K606-E639 PolarHBondContact NZ-OE2 3.33Å; K635-E639 PolarHBondContact N-O 2.66Å; N637-E639 HydrophobicContact CB-CG 4.25Å; N637-E639 PolarHBondContact O-N 3.33Å
640	V	84.5	Confident	85.4	Confident	16 Å²	16	53 Å²	53	10%	0.097	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	121.8	176.2	-175.4	0	0	0	0	108.8	F632 S633 K634 D638	F632-V640 HydrophobicContact CB-CG1 3.97Å; F632-V640 HydrophobicContact CD1-CG1 3.68Å; F632-V640 HydrophobicContact CG-CG1 4.18Å; S633-V640 WeakPolarHBondContact O-CA 3.28Å; K634-V640 HydrophobicContact CG-CG2 4.27Å; D638-V640 PolarHBondContact O-N 3.13Å
641	D	86.3	Confident	85.2	Confident	8 Å²	8	53.1 Å²	53.1	4%	0.043	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	148.4	173.9	-75.8	-20.8	0	0	0	111	K606 F632 S633 K635 V643	K606-D641 WeakPolarHBondContact CE-OD1 3.28Å; K606-D641 IonicContact NZ-OD1 3.52Å; K606-D641 PolarHBondContact NZ-OD1 3.46Å; K606-D641 IonicContact NZ-OD2 3.75Å; F632-D641 WeakPolarHBondContact CA-O 3.36Å; S633-D641 PolarHBondContact N-O 2.88Å; S633-D641 PolarHBondContact O-N 3.26Å; K635-D641 VanDerWaalsContact CD-OD2 3.3Å; K635-D641 WeakPolarHBondContact CD-OD2 3.48Å; K635-D641 WeakPolarHBondContact CE-OD2 3.26Å; K635-D641 IonicContact NZ-OD2 2.73Å; K635-D641 PolarHBondContact NZ-OD2 3.05Å; D641-V643 PolarHBondContact O-N 3.41Å
642	V	90.4	Very high	85	Confident	4 Å²	4	58.4 Å²	58.4	2%	0.024	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	104.8	167.5	177.4	0	0	0	0	107	S563 Y566 L613 I630 F632	S563-V642 VanDerWaalsContact CA-O 3.29Å; S563-V642 WeakPolarHBondContact CA-O 3.33Å; S563-V642 PolarHBondContact OG-O 2.9Å; Y566-V642 HydrophobicContact CD2-CB 4.17Å; Y566-V642 HydrophobicContact CD2-CG1 4.25Å; Y566-V642 HydrophobicContact CD2-CG2 4.41Å; Y566-V642 HydrophobicContact CE2-CB 4.01Å; Y566-V642 HydrophobicContact CE2-CG1 3.63Å; L613-V642 HydrophobicContact CD2-CG2 4.45Å; I630-V642 HydrophobicContact CG2-CB 4.39Å; I630-V642 HydrophobicContact CG2-CG1 3.68Å; I630-V642 HydrophobicContact CG2-CG2 3.94Å; F632-V642 HydrophobicContact CD1-CG2 4.17Å; F632-V642 HydrophobicContact CE1-CG2 3.9Å
643	V	90	Very high	84.3	Confident	60 Å²	60	56.7 Å²	56.7	36%	0.364	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	-40.1	-177	177.4	0	0	0	0	111.5	E562 S563 I631 D641	E562-V643 CarbonylContact C-O 3.6Å; S563-V643 PolarHBondContact N-O 3.2Å; I631-V643 PolarHBondContact O-N 3.09Å; D641-V643 PolarHBondContact O-N 3.41Å
644	A	91.6	Very high	83.3	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.008	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	152	177.2	0	0	0	0	0	108.8	L73 F74 I560 I631	L73-A644 HydrophobicContact CD2-CB 4.5Å; F74-A644 HydrophobicContact CZ-CB 4.39Å; I560-A644 CarbonylContact O-C 3.59Å; I560-A644 WeakPolarHBondContact O-CA 3.26Å; I560-A644 WeakPolarHBondContact O-CB 3.15Å; I631-A644 HydrophobicContact CB-CB 4.34Å; I631-A644 HydrophobicContact CD1-CB 4.14Å; I631-A644 HydrophobicContact CG1-CB 4.42Å; I631-A644 PolarHBondContact N-O 3.24Å
645	S	92.5	Very high	82.3	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	161.2	170.1	81.2	0	0	0	0	111	I560 Y566 W587 D629	I560-S645 PolarHBondContact N-O 3.45Å; I560-S645 PolarHBondContact O-N 3.5Å; I560-S645 VanDerWaalsContact O-O 3.13Å; Y566-S645 PolarHBondContact OH-OG 2.91Å; W587-S645 PolarHBondContact NE1-OG 3.47Å; D629-S645 CarbonylContact O-C 3.5Å; D629-S645 WeakPolarHBondContact O-CA 3.41Å; D629-S645 WeakPolarHBondContact O-CB 3.37Å
646	R	90.2	Very high	81.4	Confident	2 Å²	2	59.4 Å²	59.4	1%	0.008	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	154.3	174.1	66.6	179.4	-173.9	-176.5	5.9	111.1	F74 F558 Y559 W587 D629	F74-R646 HydrophobicContact CD1-CG 4.19Å; F74-R646 HydrophobicContact CD2-CB 4.48Å; F74-R646 HydrophobicContact CE1-CB 4.38Å; F74-R646 HydrophobicContact CE1-CG 3.89Å; F74-R646 HydrophobicContact CE2-CB 4.02Å; F74-R646 HydrophobicContact CE2-CG 4.36Å; F74-R646 HydrophobicContact CZ-CB 3.97Å; F74-R646 HydrophobicContact CZ-CG 3.99Å; F558-R646 CarbonylContact O-C 3.56Å; F558-R646 VanDerWaalsContact O-CA 3.27Å; F558-R646 WeakPolarHBondContact O-CA 3.31Å; Y559-R646 HydrophobicContact CD1-CB 3.53Å; Y559-R646 HydrophobicContact CE1-CB 3.89Å; Y559-R646 HydrophobicContact CG-CB 4.29Å; W587-R646 VanDerWaalsContact CD1-O 3.25Å; D629-R646 HydrophobicContact CB-CG 3.87Å; D629-R646 PolarHBondContact O-N 3.44Å; D629-R646 IonicContact OD1-CZ 3.73Å; D629-R646 VanDerWaalsContact OD1-CZ 3.25Å; D629-R646 IonicContact OD1-NE 3.57Å; D629-R646 PolarHBondContact OD1-NE 2.76Å; D629-R646 IonicContact OD1-NH2 2.66Å; D629-R646 PolarHBondContact OD1-NH2 2.7Å
647	M	89.6	Confident	80.9	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	167.8	168.7	64.8	-169.8	84.6	0	0	108.6	F558 I560 V575 T579 L649	F558-M647 HydrophobicContact CB-CG 3.74Å; F558-M647 HydrophobicContact CD1-CE 3.84Å; F558-M647 HydrophobicContact CD1-CG 3.71Å; F558-M647 HydrophobicContact CD1-SD 3.91Å; F558-M647 HydrophobicContact CE1-CE 4.03Å; F558-M647 HydrophobicContact CE1-SD 4.37Å; F558-M647 HydrophobicContact CG-CG 4.03Å; F558-M647 PolarHBondContact N-O 2.99Å; F558-M647 PolarHBondContact O-N 2.87Å; I560-M647 HydrophobicContact CD1-CE 3.82Å; V575-M647 HydrophobicContact CG1-CE 3.96Å; T579-M647 HydrophobicContact CG2-SD 3.85Å; M647-L649 HydrophobicContact CG-CD2 4.5Å
648	F	89	Confident	80.6	Confident	3 Å²	3	49.7 Å²	49.7	1%	0.013	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.9	-178.9	-56.3	-81.8	0	0	0	111.2	L83 D86 V555 I556 I585	L83-F648 HydrophobicContact CD2-CD2 4.48Å; D86-F648 VanDerWaalsContact CG-CZ 3.47Å; D86-F648 WeakPolarHBondContact OD1-CE1 3.44Å; D86-F648 WeakPolarHBondContact OD1-CZ 3.47Å; V555-F648 HydrophobicContact CG1-CB 3.62Å; V555-F648 HydrophobicContact CG1-CD1 4.05Å; V555-F648 HydrophobicContact CG1-CG 4.19Å; I556-F648 WeakPolarHBondContact O-CA 3.37Å; I585-F648 HydrophobicContact CB-CB 4.13Å; I585-F648 HydrophobicContact CD1-CB 4.32Å; I585-F648 PolarHBondContact N-O 3.14Å; I585-F648 PolarHBondContact O-N 2.91Å
649	L	89.7	Confident	80.5	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	137.2	-176.5	-54.2	-179.3	0	0	0	109.3	I556 F558 T579 F582 R584 M647	I556-L649 HydrophobicContact CB-CB 4.5Å; I556-L649 PolarHBondContact N-O 3.41Å; I556-L649 PolarHBondContact O-N 2.87Å; F558-L649 HydrophobicContact CB-CD1 3.83Å; F558-L649 HydrophobicContact CB-CG 3.96Å; F558-L649 HydrophobicContact CD2-CD1 3.58Å; F558-L649 HydrophobicContact CE2-CD1 4.43Å; F558-L649 HydrophobicContact CG-CD1 3.99Å; T579-L649 HydrophobicContact CG2-CD1 4.05Å; T579-L649 HydrophobicContact CG2-CD2 3.76Å; F582-L649 HydrophobicContact CB-CB 4.03Å; F582-L649 HydrophobicContact CB-CD2 4.16Å; F582-L649 HydrophobicContact CD1-CB 3.82Å; F582-L649 HydrophobicContact CD2-CD1 4.38Å; F582-L649 HydrophobicContact CE1-CB 4.48Å; F582-L649 HydrophobicContact CG-CB 3.96Å; F582-L649 HydrophobicContact CG-CD1 4.37Å; R584-L649 HydrophobicContact CG-CD2 3.77Å; M647-L649 HydrophobicContact CG-CD2 4.5Å
650	V	88.2	Confident	80.3	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	122.2	172.7	-166.5	0	0	0	0	109.4	Y187 Y552 S553 V555 V583	Y187-V650 HydrophobicContact CD2-CG2 4.35Å; Y187-V650 HydrophobicContact CE1-CG2 4.4Å; Y187-V650 HydrophobicContact CE2-CB 4.16Å; Y187-V650 HydrophobicContact CE2-CG1 4.27Å; Y187-V650 HydrophobicContact CE2-CG2 3.88Å; Y187-V650 WeakPolarHBondContact OH-CG1 3.42Å; Y552-V650 HydrophobicContact CD1-CG1 3.88Å; Y552-V650 HydrophobicContact CG-CG1 4.11Å; S553-V650 WeakPolarHBondContact O-CG1 3.46Å; V555-V650 HydrophobicContact CB-CG2 4.13Å; V555-V650 HydrophobicContact CG1-CG2 4.01Å; V555-V650 HydrophobicContact CG2-CG2 3.8Å; V583-V650 HydrophobicContact CB-CB 4.26Å; V583-V650 PolarHBondContact N-O 3.38Å; V583-V650 PolarHBondContact O-N 3.5Å
651	A	87.5	Confident	79.8	Confident	13 Å²	13	50.5 Å²	50.5	11%	0.107	25%	0.247	C	C	.	.			trans	-84.3	140.9	174.9	0	0	0	0	0	109.6	Y552 S553 F582 L664	Y552-A651 CarbonylContact C-O 3.45Å; Y552-A651 WeakPolarHBondContact CA-O 3.43Å; S553-A651 PolarHBondContact N-O 3.49Å; S553-A651 PolarHBondContact OG-N 3.23Å; F582-A651 HydrophobicContact CD1-CB 3.96Å; F582-A651 HydrophobicContact CE1-CB 3.84Å; A651-L664 HydrophobicContact CB-CD2 3.67Å
652	K	84.8	Confident	79.4	Confident	167 Å²	167	54 Å²	54	73%	0.726	26%	0.26	S	S	*	.	B	Isolated β-bridge	trans	-79.7	126.8	169.8	-171.9	176.6	-179	179.9	0	108.5	Y552	Y552-K652 HydrophobicContact CD1-CB 4.34Å; Y552-K652 HydrophobicContact CE1-CB 4.07Å; Y552-K652 HydrophobicContact CE1-CG 4.15Å
653	T	75.7	Confident	78.9	Confident	21 Å²	21	58.4 Å²	58.4	13%	0.129	28%	0.283	C	S	.	.			trans	-115.6	147.3	-179.8	52.7	0	0	0	0	109.2	S550 N551 Y552	S550-T653 PolarHBondContact O-OG1 3.36Å; N551-T653 CarbonylContact C-O 3.55Å; N551-T653 PolarHBondContact O-N 3.49Å; N551-T653 VanDerWaalsContact O-O 3.07Å; N551-T653 PolarHBondContact O-OG1 3.03Å; Y552-T653 WeakPolarHBondContact CA-OG1 3.23Å; Y552-T653 PolarHBondContact N-OG1 2.81Å; Y552-T653 VanDerWaalsContact N-OG1 3.17Å
654	M	66.5	Low	78.5	Confident	171 Å²	171	57.2 Å²	57.2	84%	0.842	28%	0.275	S	S	*	.	S	Bend	trans	-81.6	-45.3	176.6	-72.1	-174.7	60.1	0	0	110.6
655	E	62.3	Low	78	Confident	130 Å²	130	57.2 Å²	57.2	61%	0.607	28%	0.275	S	S	*	.	S	Bend	trans	-138.2	141.2	163.6	-64.9	-174.5	159.1	0	0	105.1	N657	E655-N657 PolarHBondContact O-N 2.79Å
656	T	56.1	Low	77.5	Confident	56 Å²	56	60 Å²	60	34%	0.344	29%	0.287	S	S	.	.			trans	-69.3	77.7	173.2	43.2	0	0	0	0	109.3	S550 R658	S550-T656 WeakPolarHBondContact CB-OG1 3.23Å; S550-T656 WeakPolarHBondContact O-CG2 3.31Å; S550-T656 PolarHBondContact O-N 3.39Å; T656-R658 PolarHBondContact O-N 2.88Å
657	N	61.6	Low	77.4	Confident	78 Å²	78	63.5 Å²	63.5	42%	0.417	31%	0.309	S	S	.	.			trans	-73.6	120.6	162.9	-75.7	-18.5	0	0	0	106.5	E655 E659 E660 L661	E655-N657 PolarHBondContact O-N 2.79Å; N657-E659 PolarHBondContact O-N 2.72Å; N657-E659 VanDerWaalsContact O-N 3.14Å; N657-E660 HydrophobicContact CB-CB 4.39Å; N657-E660 HydrophobicContact CB-CG 3.98Å; N657-E660 WeakPolarHBondContact O-CB 3.48Å; N657-E660 PolarHBondContact O-N 2.99Å; N657-L661 PolarHBondContact O-N 3.16Å
658	R	66.2	Low	77.2	Confident	93 Å²	93	63.6 Å²	63.6	35%	0.351	31%	0.31	S	S	.	.	H	α-helix	trans	-56.9	-28.7	179	-178.5	162.6	57.3	71.1	-2	111.5	E524 S526 T656 L661 Y662 M689	E524-R658 PolarHBondContact O-NH2 3.4Å; E524-R658 VanDerWaalsContact O-NH2 3.07Å; S526-R658 WeakPolarHBondContact OG-CD 3.16Å; S526-R658 PolarHBondContact OG-NE 3.36Å; S526-R658 PolarHBondContact OG-NH1 3.43Å; T656-R658 PolarHBondContact O-N 2.88Å; R658-L661 PolarHBondContact O-N 3.46Å; R658-Y662 PolarHBondContact O-N 3.5Å; R658-M689 HydrophobicContact CG-CE 3.75Å; R658-M689 HydrophobicContact CG-SD 4.43Å
659	E	68.6	Low	77.1	Confident	146 Å²	146	64.2 Å²	64.2	68%	0.682	31%	0.312	S	S	*	.	H	α-helix	trans	-61.8	-47.4	170.9	-63.5	-177.2	169	0	0	112.2	N657 L661 Y662 D663	N657-E659 PolarHBondContact O-N 2.72Å; N657-E659 VanDerWaalsContact O-N 3.14Å; E659-L661 VanDerWaalsContact C-N 3.26Å; E659-L661 PolarHBondContact O-N 3.35Å; E659-Y662 WeakPolarHBondContact O-CB 3.29Å; E659-Y662 PolarHBondContact O-N 3.49Å; E659-Y662 VanDerWaalsContact O-N 3.07Å; E659-D663 PolarHBondContact O-N 2.85Å
660	E	74.6	Confident	77	Confident	84 Å²	84	71.7 Å²	71.7	39%	0.393	34%	0.34	S	S	.	.	H	α-helix	trans	-60.1	-37.8	175.2	-68.7	179.9	-168.7	0	0	111.8	N657 D663 L664	N657-E660 HydrophobicContact CB-CB 4.39Å; N657-E660 HydrophobicContact CB-CG 3.98Å; N657-E660 WeakPolarHBondContact O-CB 3.48Å; N657-E660 PolarHBondContact O-N 2.99Å; E660-D663 PolarHBondContact O-N 3.22Å; E660-L664 VanDerWaalsContact O-CB 3.23Å; E660-L664 WeakPolarHBondContact O-CB 3.46Å; E660-L664 PolarHBondContact O-N 3.02Å
661	L	75.4	Confident	77	Confident	21 Å²	21	74.8 Å²	74.8	11%	0.11	36%	0.356	C	S	.	.	H	α-helix	trans	-69.3	-35.1	176.5	-176.1	57.3	0	0	0	112.2	P554 N657 R658 E659 L664 L665 F686 M689	P554-L661 HydrophobicContact CG-CD2 3.8Å; N657-L661 PolarHBondContact O-N 3.16Å; R658-L661 PolarHBondContact O-N 3.46Å; E659-L661 VanDerWaalsContact C-N 3.26Å; E659-L661 PolarHBondContact O-N 3.35Å; L661-L664 HydrophobicContact CD1-CD2 4.2Å; L661-L665 WeakPolarHBondContact O-CB 3.24Å; L661-L665 PolarHBondContact O-N 3Å; L661-F686 HydrophobicContact CD1-CE1 4.02Å; L661-F686 HydrophobicContact CG-CE1 4.3Å; L661-M689 HydrophobicContact CB-SD 4.47Å; L661-M689 HydrophobicContact CD2-CE 3.56Å; L661-M689 HydrophobicContact CD2-SD 3.73Å; L661-M689 HydrophobicContact CG-CE 4.33Å; L661-M689 HydrophobicContact CG-SD 3.91Å
662	Y	76.7	Confident	77	Confident	83 Å²	83	75.3 Å²	75.3	33%	0.325	36%	0.359	S	S	.	.	H	α-helix	trans	-67.8	-45.1	173.5	178.1	-95	0	0	0	111.4	R658 E659 L664 L665 E666	R658-Y662 PolarHBondContact O-N 3.5Å; E659-Y662 WeakPolarHBondContact O-CB 3.29Å; E659-Y662 PolarHBondContact O-N 3.49Å; E659-Y662 VanDerWaalsContact O-N 3.07Å; Y662-L664 VanDerWaalsContact C-N 3.3Å; Y662-L664 PolarHBondContact O-N 3.19Å; Y662-L665 WeakPolarHBondContact O-CB 3.31Å; Y662-L665 PolarHBondContact O-N 3.46Å; Y662-L665 VanDerWaalsContact O-N 3.15Å; Y662-E666 PolarHBondContact O-N 2.81Å
663	D	80.3	Confident	77.1	Confident	96 Å²	96	73.2 Å²	73.2	51%	0.513	36%	0.36	S	S	.	.	H	α-helix	trans	-62.9	-38.4	176.5	-73.2	-17	0	0	0	111.7	E659 E660 E666 T667	E659-D663 PolarHBondContact O-N 2.85Å; E660-D663 PolarHBondContact O-N 3.22Å; D663-E666 PolarHBondContact O-N 2.95Å; D663-T667 VanDerWaalsContact O-CB 3.28Å; D663-T667 WeakPolarHBondContact O-CB 3.42Å; D663-T667 PolarHBondContact O-N 3.48Å; D663-T667 PolarHBondContact O-OG1 2.92Å
664	L	81.6	Confident	77.7	Confident	35 Å²	35	77.6 Å²	77.6	18%	0.183	39%	0.387	C	S	.	.	H	α-helix	trans	-61.2	-46.5	172.5	-179.8	63.3	0	0	0	111.5	I556 F582 A651 E660 L661 Y662 T667 L668	I556-L664 HydrophobicContact CD1-CD2 3.75Å; I556-L664 HydrophobicContact CD1-CG 4.28Å; F582-L664 HydrophobicContact CE1-CD1 3.9Å; F582-L664 HydrophobicContact CE1-CD2 4.4Å; F582-L664 HydrophobicContact CZ-CD1 3.77Å; A651-L664 HydrophobicContact CB-CD2 3.67Å; E660-L664 VanDerWaalsContact O-CB 3.23Å; E660-L664 WeakPolarHBondContact O-CB 3.46Å; E660-L664 PolarHBondContact O-N 3.02Å; L661-L664 HydrophobicContact CD1-CD2 4.2Å; Y662-L664 VanDerWaalsContact C-N 3.3Å; Y662-L664 PolarHBondContact O-N 3.19Å; L664-T667 PolarHBondContact O-N 3.39Å; L664-L668 HydrophobicContact CD1-CD1 4.17Å; L664-L668 HydrophobicContact CD1-CG 4.35Å; L664-L668 HydrophobicContact CG-CD1 4.11Å; L664-L668 WeakPolarHBondContact O-CB 3.49Å; L664-L668 WeakPolarHBondContact O-CG 3.5Å; L664-L668 PolarHBondContact O-N 2.89Å
665	L	80.3	Confident	78.8	Confident	1 Å²	1	70.2 Å²	70.2	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-60	-48.1	177.2	173.1	60.6	0	0	0	111.4	L661 Y662 T667 L668 R669 V681 F686	L661-L665 WeakPolarHBondContact O-CB 3.24Å; L661-L665 PolarHBondContact O-N 3Å; Y662-L665 WeakPolarHBondContact O-CB 3.31Å; Y662-L665 PolarHBondContact O-N 3.46Å; Y662-L665 VanDerWaalsContact O-N 3.15Å; L665-T667 VanDerWaalsContact C-N 3.35Å; L665-T667 PolarHBondContact O-N 3.09Å; L665-L668 PolarHBondContact O-N 3.45Å; L665-R669 HydrophobicContact CD1-CG 4.25Å; L665-R669 WeakPolarHBondContact O-CB 3.32Å; L665-R669 WeakPolarHBondContact O-CG 3.13Å; L665-R669 PolarHBondContact O-N 3.42Å; L665-V681 HydrophobicContact CD1-CG2 4.4Å; L665-F686 HydrophobicContact CB-CE1 4.31Å; L665-F686 HydrophobicContact CB-CZ 4.46Å; L665-F686 HydrophobicContact CD1-CD1 4.25Å; L665-F686 HydrophobicContact CD1-CD2 3.46Å; L665-F686 VanDerWaalsContact CD1-CD2 3.46Å; L665-F686 HydrophobicContact CD1-CE1 4.29Å; L665-F686 HydrophobicContact CD1-CE2 3.54Å; L665-F686 HydrophobicContact CD1-CG 3.85Å; L665-F686 HydrophobicContact CD1-CZ 3.96Å; L665-F686 HydrophobicContact CD2-CB 3.93Å; L665-F686 HydrophobicContact CD2-CD1 3.88Å; L665-F686 HydrophobicContact CD2-CD2 4.3Å; L665-F686 HydrophobicContact CD2-CE1 4.44Å; L665-F686 HydrophobicContact CD2-CG 3.8Å; L665-F686 HydrophobicContact CG-CD1 4.46Å; L665-F686 HydrophobicContact CG-CD2 4.45Å; L665-F686 HydrophobicContact CG-CG 4.39Å
666	E	83	Confident	80	Confident	58 Å²	58	71.9 Å²	71.9	27%	0.271	36%	0.358	S	S	.	.	H	α-helix	trans	-64.5	-40.8	-179.9	-179.8	60.5	-165.3	0	0	111.3	Y662 D663 R669 R670	Y662-E666 PolarHBondContact O-N 2.81Å; D663-E666 PolarHBondContact O-N 2.95Å; E666-R669 PolarHBondContact O-N 3.33Å; E666-R670 WeakPolarHBondContact O-CG 3.37Å; E666-R670 PolarHBondContact O-N 3.14Å; E666-R670 IonicContact OE1-CZ 3.46Å; E666-R670 IonicContact OE1-NE 2.87Å; E666-R670 PolarHBondContact OE1-NE 3.36Å; E666-R670 IonicContact OE1-NH2 3.37Å; E666-R670 PolarHBondContact OE1-NH2 3.18Å
667	T	86.6	Confident	81.5	Confident	75 Å²	75	69.5 Å²	69.5	46%	0.46	34%	0.343	S	S	.	.	H	α-helix	trans	-62.9	-47.8	176.5	-59	0	0	0	0	111.4	D663 L664 L665 R669 R670 L671	D663-T667 VanDerWaalsContact O-CB 3.28Å; D663-T667 WeakPolarHBondContact O-CB 3.42Å; D663-T667 PolarHBondContact O-N 3.48Å; D663-T667 PolarHBondContact O-OG1 2.92Å; L664-T667 PolarHBondContact O-N 3.39Å; L665-T667 VanDerWaalsContact C-N 3.35Å; L665-T667 PolarHBondContact O-N 3.09Å; T667-R669 VanDerWaalsContact C-N 3.31Å; T667-R669 PolarHBondContact O-N 3.15Å; T667-R670 PolarHBondContact O-N 3.2Å; T667-L671 HydrophobicContact CG2-CD1 4.33Å; T667-L671 WeakPolarHBondContact O-CG 3.31Å; T667-L671 PolarHBondContact O-N 2.96Å
668	L	86	Confident	82.9	Confident	4 Å²	4	71 Å²	71	2%	0.021	35%	0.346	C	S	.	.	H	α-helix	trans	-63.8	-35.4	178.9	-74.7	172.4	0	0	0	112.6	I556 F582 L664 L665 L671 S672 V681	I556-L668 HydrophobicContact CD1-CD1 3.81Å; I556-L668 HydrophobicContact CG2-CD1 4.42Å; F582-L668 HydrophobicContact CE1-CD1 4.45Å; F582-L668 HydrophobicContact CE2-CD2 4.19Å; F582-L668 HydrophobicContact CZ-CD1 4.16Å; F582-L668 HydrophobicContact CZ-CD2 3.84Å; F582-L668 HydrophobicContact CZ-CG 4.33Å; L664-L668 HydrophobicContact CD1-CD1 4.17Å; L664-L668 HydrophobicContact CD1-CG 4.35Å; L664-L668 HydrophobicContact CG-CD1 4.11Å; L664-L668 WeakPolarHBondContact O-CB 3.49Å; L664-L668 WeakPolarHBondContact O-CG 3.5Å; L664-L668 PolarHBondContact O-N 2.89Å; L665-L668 PolarHBondContact O-N 3.45Å; L668-L671 PolarHBondContact O-N 3.29Å; L668-S672 PolarHBondContact O-N 3.15Å; L668-V681 HydrophobicContact CB-CB 4.42Å; L668-V681 HydrophobicContact CB-CG1 4.11Å; L668-V681 HydrophobicContact CB-CG2 3.73Å; L668-V681 HydrophobicContact CD1-CG1 4.22Å
669	R	86.7	Confident	84.1	Confident	17 Å²	17	66.8 Å²	66.8	6%	0.064	33%	0.33	C	S	.	.	H	α-helix	trans	-71.6	-37.1	174.6	-76.6	172.2	168.1	175.2	-5.8	112.8	E66 L665 E666 T667 L671 S672 V673 V681 D690	E66-R669 IonicContact OE1-CZ 3.29Å; E66-R669 IonicContact OE1-NE 3.55Å; E66-R669 PolarHBondContact OE1-NE 2.97Å; E66-R669 IonicContact OE1-NH2 3.32Å; E66-R669 IonicContact OE2-CZ 2.65Å; E66-R669 IonicContact OE2-NE 2.82Å; E66-R669 IonicContact OE2-NH2 3.31Å; E66-R669 PolarHBondContact OE2-NH2 2.88Å; L665-R669 HydrophobicContact CD1-CG 4.25Å; L665-R669 WeakPolarHBondContact O-CB 3.32Å; L665-R669 WeakPolarHBondContact O-CG 3.13Å; L665-R669 PolarHBondContact O-N 3.42Å; E666-R669 PolarHBondContact O-N 3.33Å; T667-R669 VanDerWaalsContact C-N 3.31Å; T667-R669 PolarHBondContact O-N 3.15Å; R669-L671 VanDerWaalsContact C-N 3.29Å; R669-L671 PolarHBondContact O-N 3.41Å; R669-S672 PolarHBondContact O-N 3.25Å; R669-S672 PolarHBondContact O-OG 3.14Å; R669-V673 PolarHBondContact O-N 3.43Å; R669-V681 HydrophobicContact CG-CG2 4.2Å; R669-D690 IonicContact CZ-OD1 2.81Å; R669-D690 IonicContact CZ-OD2 3.84Å; R669-D690 VanDerWaalsContact NH1-CG 3.26Å; R669-D690 IonicContact NH1-OD1 2.71Å; R669-D690 PolarHBondContact NH1-OD1 3.13Å; R669-D690 IonicContact NH1-OD2 2.83Å; R669-D690 IonicContact NH2-OD1 3.62Å; R669-D690 IonicContact NH2-OD2 3.82Å; R669-D690 PolarHBondContact NH2-OD2 3.01Å
670	R	88.3	Confident	85.1	Confident	157 Å²	157	60.5 Å²	60.5	59%	0.592	30%	0.301	S	S	*	.	H	α-helix	trans	-62.3	-42.1	171.7	-73	175.1	-172.1	-178.1	5.6	110.9	E666 T667 S672 V673 T674	E666-R670 WeakPolarHBondContact O-CG 3.37Å; E666-R670 PolarHBondContact O-N 3.14Å; E666-R670 IonicContact OE1-CZ 3.46Å; E666-R670 IonicContact OE1-NE 2.87Å; E666-R670 PolarHBondContact OE1-NE 3.36Å; E666-R670 IonicContact OE1-NH2 3.37Å; E666-R670 PolarHBondContact OE1-NH2 3.18Å; T667-R670 PolarHBondContact O-N 3.2Å; R670-S672 VanDerWaalsContact C-N 3.32Å; R670-S672 PolarHBondContact O-N 3.44Å; R670-V673 PolarHBondContact O-N 3.48Å; R670-T674 PolarHBondContact O-N 2.93Å; R670-T674 PolarHBondContact O-OG1 3.42Å
671	L	88.6	Confident	85.8	Confident	64 Å²	64	56.6 Å²	56.6	34%	0.335	28%	0.283	S	S	.	.	H	α-helix	trans	-63.1	-36.7	175.1	-70.9	172.9	0	0	0	112.4	T667 L668 R669 V673 T674 S675 F679	T667-L671 HydrophobicContact CG2-CD1 4.33Å; T667-L671 WeakPolarHBondContact O-CG 3.31Å; T667-L671 PolarHBondContact O-N 2.96Å; L668-L671 PolarHBondContact O-N 3.29Å; R669-L671 VanDerWaalsContact C-N 3.29Å; R669-L671 PolarHBondContact O-N 3.41Å; L671-V673 PolarHBondContact O-N 2.94Å; L671-T674 PolarHBondContact O-N 3.49Å; L671-S675 WeakPolarHBondContact O-CB 3.48Å; L671-S675 PolarHBondContact O-N 3.38Å; L671-S675 PolarHBondContact O-OG 3.36Å; L671-F679 HydrophobicContact CB-CZ 4Å
672	S	87.3	Confident	86.4	Confident	24 Å²	24	55.7 Å²	55.7	17%	0.168	28%	0.278	C	S	.	.	H	α-helix	trans	-66.4	-22.7	178.7	75.5	0	0	0	0	113.9	L668 R669 R670 F679	L668-S672 PolarHBondContact O-N 3.15Å; R669-S672 PolarHBondContact O-N 3.25Å; R669-S672 PolarHBondContact O-OG 3.14Å; R670-S672 VanDerWaalsContact C-N 3.32Å; R670-S672 PolarHBondContact O-N 3.44Å; S672-F679 VanDerWaalsContact CB-O 3.26Å; S672-F679 WeakPolarHBondContact CB-O 3.37Å
673	V	86.7	Confident	86.8	Confident	124 Å²	124	52.3 Å²	52.3	75%	0.752	27%	0.265	S	S	*	.	H	α-helix	trans	-87.4	-34.1	176.7	178	0	0	0	0	112.1	R669 R670 L671	R669-V673 PolarHBondContact O-N 3.43Å; R670-V673 PolarHBondContact O-N 3.48Å; L671-V673 PolarHBondContact O-N 2.94Å
674	T	88.6	Confident	86.8	Confident	112 Å²	112	49.1 Å²	49.1	69%	0.687	25%	0.25	S	S	*	.	H	α-helix	trans	-93	-18	-175.2	57.7	0	0	0	0	114.2	R670 L671	R670-T674 PolarHBondContact O-N 2.93Å; R670-T674 PolarHBondContact O-OG1 3.42Å; L671-T674 PolarHBondContact O-N 3.49Å
675	S	88.8	Confident	86.7	Confident	17 Å²	17	49.8 Å²	49.8	12%	0.119	26%	0.257	C	S	.	.	S	Bend	trans	-71.7	153.2	-179.6	49.2	0	0	0	0	112.7	Y578 L671 V677 F679	Y578-S675 VanDerWaalsContact CZ-CB 3.47Å; L671-S675 WeakPolarHBondContact O-CB 3.48Å; L671-S675 PolarHBondContact O-N 3.38Å; L671-S675 PolarHBondContact O-OG 3.36Å; S675-V677 VanDerWaalsContact C-N 3.34Å; S675-V677 PolarHBondContact OG-O 3.32Å; S675-F679 VanDerWaalsContact OG-CE1 3.23Å; S675-F679 WeakPolarHBondContact OG-CE1 3.32Å
676	K	88.1	Confident	86.9	Confident	165 Å²	165	49.7 Å²	49.7	72%	0.717	26%	0.257	S	S	*	.	S	Bend	trans	-71	-33.9	175.1	-66.4	177.7	-172.1	161.7	0	111.8	D574 Y578	D574-K676 IonicContact OD2-NZ 2.87Å; Y578-K676 PolarHBondContact OH-N 3.07Å
677	V	88.5	Confident	86.9	Confident	6 Å²	6	47 Å²	47	4%	0.036	25%	0.245	C	C	.	.	S	Bend	trans	-91.6	120.2	176	173	0	0	0	0	108.5	I560 E562 I564 V571 V575 Y578 S675 F679	I560-V677 HydrophobicContact CD1-CG1 4.3Å; I560-V677 HydrophobicContact CG1-CG1 4.15Å; I560-V677 HydrophobicContact CG2-CG1 3.97Å; E562-V677 WeakPolarHBondContact OE1-CA 3.43Å; I564-V677 HydrophobicContact CD1-CG1 3.88Å; I564-V677 HydrophobicContact CD1-CG2 4.21Å; I564-V677 HydrophobicContact CG2-CG1 3.91Å; I564-V677 HydrophobicContact CG2-CG2 4.23Å; V571-V677 HydrophobicContact CG1-CG2 4.33Å; V575-V677 HydrophobicContact CG2-CG2 4.23Å; Y578-V677 HydrophobicContact CE2-CB 4.05Å; Y578-V677 HydrophobicContact CE2-CG2 4.35Å; S675-V677 VanDerWaalsContact C-N 3.34Å; S675-V677 PolarHBondContact OG-O 3.32Å; V677-F679 WeakPolarHBondContact O-CD1 3.48Å; V677-F679 PolarHBondContact O-N 3.28Å
678	K	89.5	Confident	86.4	Confident	110 Å²	110	45.7 Å²	45.7	48%	0.478	23%	0.231	S	C	.	.			trans	-76.6	120.5	176.7	-61.5	-176.7	-176	173.6	0	110.5	Y561 E562	Y561-K678 HydrophobicContact CE1-CB 4.04Å; Y561-K678 HydrophobicContact CE2-CB 4.37Å; E562-K678 HydrophobicContact CG-CB 4.34Å; E562-K678 PolarHBondContact OE1-N 2.98Å; E562-K678 WeakPolarHBondContact OE2-CD 3.36Å; E562-K678 WeakPolarHBondContact OE2-CG 3.48Å
679	F	92	Very high	85.9	Confident	3 Å²	3	46.9 Å²	46.9	1%	0.013	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	167.3	174.4	64.9	-94.7	0	0	0	111.4	F558 Y559 I560 Y578 L671 S672 S675 V677 V681	F558-F679 HydrophobicContact CD1-CB 4.46Å; F558-F679 AromaticContact CD2-CD2 3.8Å; F558-F679 HydrophobicContact CD2-CD2 3.8Å; F558-F679 HydrophobicContact CD2-CE2 4.09Å; F558-F679 HydrophobicContact CD2-CG 4.3Å; F558-F679 HydrophobicContact CE1-CB 3.86Å; F558-F679 HydrophobicContact CE1-CD1 4.39Å; F558-F679 HydrophobicContact CE1-CD2 4.46Å; F558-F679 HydrophobicContact CE1-CG 4.01Å; F558-F679 HydrophobicContact CE2-CB 4.18Å; F558-F679 AromaticContact CE2-CD1 3.85Å; F558-F679 HydrophobicContact CE2-CD1 3.85Å; F558-F679 AromaticContact CE2-CD2 3.26Å; F558-F679 HydrophobicContact CE2-CD2 3.26Å; F558-F679 AromaticContact CE2-CE1 3.97Å; F558-F679 HydrophobicContact CE2-CE1 3.97Å; F558-F679 AromaticContact CE2-CE2 3.41Å; F558-F679 HydrophobicContact CE2-CE2 3.41Å; F558-F679 VanDerWaalsContact CE2-CE2 3.41Å; F558-F679 AromaticContact CE2-CG 3.5Å; F558-F679 HydrophobicContact CE2-CG 3.5Å; F558-F679 VanDerWaalsContact CE2-CG 3.5Å; F558-F679 AromaticContact CE2-CZ 3.77Å; F558-F679 HydrophobicContact CE2-CZ 3.77Å; F558-F679 HydrophobicContact CZ-CB 3.71Å; F558-F679 AromaticContact CZ-CD1 3.48Å; F558-F679 HydrophobicContact CZ-CD1 3.48Å; F558-F679 VanDerWaalsContact CZ-CD1 3.48Å; F558-F679 AromaticContact CZ-CD2 3.65Å; F558-F679 HydrophobicContact CZ-CD2 3.65Å; F558-F679 AromaticContact CZ-CE1 3.93Å; F558-F679 HydrophobicContact CZ-CE1 3.93Å; F558-F679 HydrophobicContact CZ-CE2 4.09Å; F558-F679 AromaticContact CZ-CG 3.32Å; F558-F679 HydrophobicContact CZ-CG 3.32Å; F558-F679 HydrophobicContact CZ-CZ 4.21Å; Y559-F679 CarbonylContact O-C 3.51Å; Y559-F679 WeakPolarHBondContact O-CA 3.33Å; Y559-F679 WeakPolarHBondContact O-CB 3.43Å; I560-F679 HydrophobicContact CG1-CB 4.24Å; Y578-F679 HydrophobicContact CD2-CE1 4.11Å; Y578-F679 HydrophobicContact CG-CE1 4.42Å; L671-F679 HydrophobicContact CB-CZ 4Å; S672-F679 VanDerWaalsContact CB-O 3.26Å; S672-F679 WeakPolarHBondContact CB-O 3.37Å; S675-F679 VanDerWaalsContact OG-CE1 3.23Å; S675-F679 WeakPolarHBondContact OG-CE1 3.32Å; V677-F679 WeakPolarHBondContact O-CD1 3.48Å; V677-F679 PolarHBondContact O-N 3.28Å; F679-V681 HydrophobicContact CD2-CG1 4.04Å; F679-V681 HydrophobicContact CE2-CG1 3.96Å
680	I	90.4	Very high	85.2	Confident	15 Å²	15	46.3 Å²	46.3	8%	0.077	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	149	167.1	59	-176.8	0	0	0	108.6	L69 V70 Y559 Y561	L69-I680 HydrophobicContact CB-CD1 4.46Å; L69-I680 HydrophobicContact CD2-CD1 3.72Å; L69-I680 HydrophobicContact CD2-CG2 4.48Å; L69-I680 HydrophobicContact CG-CD1 4Å; V70-I680 HydrophobicContact CG2-CD1 3.51Å; V70-I680 HydrophobicContact CG2-CG1 4.27Å; Y559-I680 HydrophobicContact CD2-CG1 4.04Å; Y559-I680 HydrophobicContact CG-CG1 4.18Å; Y559-I680 PolarHBondContact N-O 3.41Å; Y559-I680 PolarHBondContact O-N 3.33Å; Y561-I680 HydrophobicContact CD1-CG1 4.4Å; Y561-I680 HydrophobicContact CD1-CG2 4.02Å; Y561-I680 HydrophobicContact CE1-CG2 3.68Å
681	V	88.8	Confident	84.1	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.5	173.2	-69.9	0	0	0	0	109.2	I556 G557 F558 L665 L668 R669 F679	I556-V681 HydrophobicContact CG2-CB 3.81Å; I556-V681 HydrophobicContact CG2-CG1 4.22Å; G557-V681 CarbonylContact O-C 3.56Å; G557-V681 VanDerWaalsContact O-CA 3.27Å; G557-V681 WeakPolarHBondContact O-CA 3.4Å; F558-V681 HydrophobicContact CD2-CG1 3.91Å; L665-V681 HydrophobicContact CD1-CG2 4.4Å; L668-V681 HydrophobicContact CB-CB 4.42Å; L668-V681 HydrophobicContact CB-CG1 4.11Å; L668-V681 HydrophobicContact CB-CG2 3.73Å; L668-V681 HydrophobicContact CD1-CG1 4.22Å; R669-V681 HydrophobicContact CG-CG2 4.2Å; F679-V681 HydrophobicContact CD2-CG1 4.04Å; F679-V681 HydrophobicContact CE2-CG1 3.96Å
682	F	87.3	Confident	83.1	Confident	3 Å²	3	44.9 Å²	44.9	1%	0.013	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	138.3	-178.2	-176.2	-101.9	0	0	0	113.3	A63 E66 R67 V70 Q88 G557 Y559 V687	A63-F682 HydrophobicContact CB-CE2 4.47Å; A63-F682 WeakPolarHBondContact O-CE2 3.38Å; E66-F682 HydrophobicContact CB-CD2 3.88Å; R67-F682 HydrophobicContact CB-CD2 4.43Å; R67-F682 HydrophobicContact CB-CE1 4.01Å; R67-F682 HydrophobicContact CB-CE2 3.65Å; R67-F682 HydrophobicContact CB-CZ 3.4Å; R67-F682 VanDerWaalsContact CB-CZ 3.4Å; R67-F682 HydrophobicContact CG-CE1 3.94Å; R67-F682 HydrophobicContact CG-CE2 4.37Å; R67-F682 HydrophobicContact CG-CZ 3.62Å; V70-F682 HydrophobicContact CG1-CD1 4.29Å; V70-F682 HydrophobicContact CG2-CB 4.02Å; V70-F682 HydrophobicContact CG2-CG 4.38Å; Q88-F682 HydrophobicContact CB-CE1 4.35Å; Q88-F682 VanDerWaalsContact O-CE1 3.3Å; Q88-F682 WeakPolarHBondContact O-CE1 3.23Å; G557-F682 PolarHBondContact N-O 3.41Å; G557-F682 PolarHBondContact O-N 3.05Å; Y559-F682 HydrophobicContact CE2-CB 3.97Å; F682-V687 HydrophobicContact CE2-CG2 4.32Å; F682-V687 HydrophobicContact CZ-CG2 4.38Å
683	N	85.1	Confident	81.9	Confident	11 Å²	11	45 Å²	45	6%	0.059	23%	0.228	C	C	.	.			trans	-144	143	167.4	179.6	-82.6	0	0	0	108	V555 S685 F686	V555-N683 PolarHBondContact O-ND2 2.82Å; N683-S685 PolarHBondContact O-N 3.34Å; N683-S685 VanDerWaalsContact O-N 3.17Å; N683-S685 WeakPolarHBondContact OD1-CB 3.14Å; N683-S685 PolarHBondContact OD1-N 3.05Å; N683-S685 PolarHBondContact OD1-OG 3.1Å; N683-S685 VanDerWaalsContact OD1-OG 3.1Å; N683-F686 HydrophobicContact CB-CD1 4.2Å; N683-F686 HydrophobicContact CB-CD2 3.85Å; N683-F686 HydrophobicContact CB-CE1 4.05Å; N683-F686 HydrophobicContact CB-CE2 3.67Å; N683-F686 HydrophobicContact CB-CG 4.11Å; N683-F686 HydrophobicContact CB-CZ 3.79Å; N683-F686 VanDerWaalsContact O-CB 3.23Å; N683-F686 WeakPolarHBondContact O-CB 3.48Å; N683-F686 WeakPolarHBondContact O-CG 3.47Å; N683-F686 PolarHBondContact O-N 2.9Å
684	P	80.9	Confident	81.1	Confident	30 Å²	30	43.1 Å²	43.1	20%	0.195	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-33.8	-180	-26.7	33.9	0	0	0	114.8	L87 F686 V687	L87-P684 WeakPolarHBondContact O-CG 3.39Å; P684-F686 PolarHBondContact O-N 3.37Å; P684-V687 WeakPolarHBondContact O-CB 3.26Å; P684-V687 PolarHBondContact O-N 3.35Å; P684-V687 VanDerWaalsContact O-N 3.1Å
685	S	79.7	Confident	80.6	Confident	48 Å²	48	38.1 Å²	38.1	34%	0.336	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-25.9	178.1	-57.2	0	0	0	0	112	N683 V687 Y688 M689	N683-S685 PolarHBondContact O-N 3.34Å; N683-S685 VanDerWaalsContact O-N 3.17Å; N683-S685 WeakPolarHBondContact OD1-CB 3.14Å; N683-S685 PolarHBondContact OD1-N 3.05Å; N683-S685 PolarHBondContact OD1-OG 3.1Å; N683-S685 VanDerWaalsContact OD1-OG 3.1Å; S685-V687 PolarHBondContact O-N 2.68Å; S685-Y688 PolarHBondContact O-N 3.41Å; S685-Y688 VanDerWaalsContact O-N 3.13Å; S685-M689 PolarHBondContact O-N 3.04Å
686	F	83.3	Confident	80.1	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64	-23.3	177.5	-58.7	-21	0	0	0	112.7	A63 I556 L661 L665 N683 P684 Y688 M689 D690	A63-F686 HydrophobicContact CB-CB 4.14Å; I556-F686 HydrophobicContact CD1-CZ 4.02Å; I556-F686 HydrophobicContact CG1-CZ 3.95Å; I556-F686 HydrophobicContact CG2-CE2 4.17Å; I556-F686 HydrophobicContact CG2-CZ 4.34Å; L661-F686 HydrophobicContact CD1-CE1 4.02Å; L661-F686 HydrophobicContact CG-CE1 4.3Å; L665-F686 HydrophobicContact CB-CE1 4.31Å; L665-F686 HydrophobicContact CB-CZ 4.46Å; L665-F686 HydrophobicContact CD1-CD1 4.25Å; L665-F686 HydrophobicContact CD1-CD2 3.46Å; L665-F686 VanDerWaalsContact CD1-CD2 3.46Å; L665-F686 HydrophobicContact CD1-CE1 4.29Å; L665-F686 HydrophobicContact CD1-CE2 3.54Å; L665-F686 HydrophobicContact CD1-CG 3.85Å; L665-F686 HydrophobicContact CD1-CZ 3.96Å; L665-F686 HydrophobicContact CD2-CB 3.93Å; L665-F686 HydrophobicContact CD2-CD1 3.88Å; L665-F686 HydrophobicContact CD2-CD2 4.3Å; L665-F686 HydrophobicContact CD2-CE1 4.44Å; L665-F686 HydrophobicContact CD2-CG 3.8Å; L665-F686 HydrophobicContact CG-CD1 4.46Å; L665-F686 HydrophobicContact CG-CD2 4.45Å; L665-F686 HydrophobicContact CG-CG 4.39Å; N683-F686 HydrophobicContact CB-CD1 4.2Å; N683-F686 HydrophobicContact CB-CD2 3.85Å; N683-F686 HydrophobicContact CB-CE1 4.05Å; N683-F686 HydrophobicContact CB-CE2 3.67Å; N683-F686 HydrophobicContact CB-CG 4.11Å; N683-F686 HydrophobicContact CB-CZ 3.79Å; N683-F686 VanDerWaalsContact O-CB 3.23Å; N683-F686 WeakPolarHBondContact O-CB 3.48Å; N683-F686 WeakPolarHBondContact O-CG 3.47Å; N683-F686 PolarHBondContact O-N 2.9Å; P684-F686 PolarHBondContact O-N 3.37Å; F686-Y688 PolarHBondContact O-N 3.26Å; F686-M689 HydrophobicContact CD1-SD 4.47Å; F686-M689 PolarHBondContact O-N 2.93Å; F686-M689 VanDerWaalsContact O-N 3.12Å; F686-D690 WeakPolarHBondContact O-CB 3.15Å; F686-D690 PolarHBondContact O-N 3.17Å
687	V	83	Confident	79.8	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.006	16%	0.164	C	C	.	.	H	α-helix	trans	-61	-31.3	175.5	175.4	0	0	0	0	112	E53 A57 A63 K64 F682 P684 S685	E53-V687 HydrophobicContact CG-CG1 3.91Å; A57-V687 HydrophobicContact CB-CG1 3.68Å; A63-V687 HydrophobicContact CB-CG2 4.14Å; K64-V687 HydrophobicContact CD-CG1 4.44Å; K64-V687 HydrophobicContact CG-CG1 4Å; K64-V687 HydrophobicContact CG-CG2 4.39Å; F682-V687 HydrophobicContact CE2-CG2 4.32Å; F682-V687 HydrophobicContact CZ-CG2 4.38Å; P684-V687 WeakPolarHBondContact O-CB 3.26Å; P684-V687 PolarHBondContact O-N 3.35Å; P684-V687 VanDerWaalsContact O-N 3.1Å; S685-V687 PolarHBondContact O-N 2.68Å
688	Y	78.1	Confident	79.7	Confident	47 Å²	47	32 Å²	32	18%	0.184	17%	0.174	C	C	.	.	H	α-helix	trans	-91.9	-12.8	177.1	-65	-80.6	0	0	0	113.7	E53 A57 L528 S685 F686 Y692	E53-Y688 VanDerWaalsContact CA-OH 3.27Å; E53-Y688 WeakPolarHBondContact CA-OH 3.46Å; E53-Y688 VanDerWaalsContact CB-OH 3.28Å; E53-Y688 WeakPolarHBondContact CB-OH 3.39Å; E53-Y688 PolarHBondContact N-OH 3Å; A57-Y688 HydrophobicContact CB-CD1 3.97Å; A57-Y688 HydrophobicContact CB-CE1 4Å; L528-Y688 HydrophobicContact CD1-CD1 4.03Å; L528-Y688 HydrophobicContact CD1-CD2 4.4Å; L528-Y688 HydrophobicContact CD1-CE1 3.83Å; L528-Y688 HydrophobicContact CD1-CE2 4.21Å; L528-Y688 HydrophobicContact CD1-CG 4.3Å; L528-Y688 HydrophobicContact CD2-CD1 4.11Å; L528-Y688 HydrophobicContact CD2-CE1 4.01Å; L528-Y688 HydrophobicContact CG-CD1 4.47Å; L528-Y688 HydrophobicContact CG-CE1 4.5Å; S685-Y688 PolarHBondContact O-N 3.41Å; S685-Y688 VanDerWaalsContact O-N 3.13Å; F686-Y688 PolarHBondContact O-N 3.26Å; Y688-Y692 WeakPolarHBondContact O-CB 3.38Å; Y688-Y692 WeakPolarHBondContact O-CD2 3.4Å
689	M	75.4	Confident	79.5	Confident	29 Å²	29	26.8 Å²	26.8	14%	0.143	15%	0.151	C	C	.	.	H	α-helix	trans	-100	-34.2	-177.9	-63.2	-178.3	178.3	0	0	112.4	R658 L661 S685 F686 R691 Y692	R658-M689 HydrophobicContact CG-CE 3.75Å; R658-M689 HydrophobicContact CG-SD 4.43Å; L661-M689 HydrophobicContact CB-SD 4.47Å; L661-M689 HydrophobicContact CD2-CE 3.56Å; L661-M689 HydrophobicContact CD2-SD 3.73Å; L661-M689 HydrophobicContact CG-CE 4.33Å; L661-M689 HydrophobicContact CG-SD 3.91Å; S685-M689 PolarHBondContact O-N 3.04Å; F686-M689 HydrophobicContact CD1-SD 4.47Å; F686-M689 PolarHBondContact O-N 2.93Å; F686-M689 VanDerWaalsContact O-N 3.12Å; M689-R691 PolarHBondContact O-N 2.88Å; M689-Y692 PolarHBondContact O-N 3.25Å
690	D	71.7	Confident	79.3	Confident	5 Å²	5	27.6 Å²	27.6	3%	0.027	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	106.6	-171.9	-173.6	24.5	0	0	0	112.5	L62 A63 R669 F686 Y692	L62-D690 WeakPolarHBondContact CA-OD2 3.17Å; L62-D690 WeakPolarHBondContact CB-OD2 3.22Å; L62-D690 PolarHBondContact N-OD2 2.96Å; A63-D690 HydrophobicContact CB-CB 3.85Å; A63-D690 PolarHBondContact N-OD2 3.49Å; R669-D690 IonicContact CZ-OD1 2.81Å; R669-D690 IonicContact CZ-OD2 3.84Å; R669-D690 VanDerWaalsContact NH1-CG 3.26Å; R669-D690 IonicContact NH1-OD1 2.71Å; R669-D690 PolarHBondContact NH1-OD1 3.13Å; R669-D690 IonicContact NH1-OD2 2.83Å; R669-D690 IonicContact NH2-OD1 3.62Å; R669-D690 IonicContact NH2-OD2 3.82Å; R669-D690 PolarHBondContact NH2-OD2 3.01Å; F686-D690 WeakPolarHBondContact O-CB 3.15Å; F686-D690 PolarHBondContact O-N 3.17Å; D690-Y692 PolarHBondContact O-N 2.92Å; D690-Y692 VanDerWaalsContact O-N 3.1Å
691	R	64.3	Low	79.2	Confident	175 Å²	175	32.3 Å²	32.3	66%	0.66	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	31.2	-179	-60.4	-176.2	176.6	-174.1	-1.5	113.8	M689 A693 S694 S695	M689-R691 PolarHBondContact O-N 2.88Å; R691-A693 VanDerWaalsContact C-N 3.3Å; R691-A693 PolarHBondContact O-N 2.85Å; R691-S694 PolarHBondContact O-N 3.26Å; R691-S695 WeakPolarHBondContact O-CB 3.46Å; R691-S695 PolarHBondContact O-N 3.44Å
692	Y	68.2	Low	79.2	Confident	16 Å²	16	34.3 Å²	34.3	6%	0.063	19%	0.188	C	C	.	.	H	α-helix	trans	-57.6	-46.9	178.4	-174.9	-93.8	0	0	0	110.8	L56 G525 Y688 M689 D690 S694 S695 L696	L56-Y692 WeakPolarHBondContact O-CE2 3.42Å; G525-Y692 WeakPolarHBondContact O-CE1 3.43Å; G525-Y692 PolarHBondContact O-OH 3.45Å; Y688-Y692 WeakPolarHBondContact O-CB 3.38Å; Y688-Y692 WeakPolarHBondContact O-CD2 3.4Å; M689-Y692 PolarHBondContact O-N 3.25Å; D690-Y692 PolarHBondContact O-N 2.92Å; D690-Y692 VanDerWaalsContact O-N 3.1Å; Y692-S694 PolarHBondContact O-N 3.23Å; Y692-S695 WeakPolarHBondContact O-CB 3.37Å; Y692-S695 PolarHBondContact O-N 2.85Å; Y692-L696 HydrophobicContact CE1-CD1 4.35Å; Y692-L696 HydrophobicContact CE1-CD2 4.14Å; Y692-L696 WeakPolarHBondContact O-CB 3.41Å; Y692-L696 PolarHBondContact O-N 3.5Å
693	A	61.5	Low	79.1	Confident	27 Å²	27	34.2 Å²	34.2	22%	0.223	19%	0.187	C	C	.	.	H	α-helix	trans	-41.7	-63.3	171.2	0	0	0	0	0	113.9	E524 R691 S695 L696 G697	E524-A693 VanDerWaalsContact CD-CB 3.45Å; E524-A693 VanDerWaalsContact OE1-CB 3.3Å; E524-A693 WeakPolarHBondContact OE1-CB 3.26Å; E524-A693 WeakPolarHBondContact OE2-CA 3.48Å; E524-A693 WeakPolarHBondContact OE2-CB 3.37Å; R691-A693 VanDerWaalsContact C-N 3.3Å; R691-A693 PolarHBondContact O-N 2.85Å; A693-S695 VanDerWaalsContact C-N 3.31Å; A693-S695 PolarHBondContact O-N 3.19Å; A693-L696 WeakPolarHBondContact O-CB 3.16Å; A693-L696 PolarHBondContact O-N 3.46Å; A693-L696 VanDerWaalsContact O-N 3.17Å; A693-G697 PolarHBondContact O-N 2.93Å
694	S	71	Confident	79.3	Confident	84 Å²	84	35.5 Å²	35.5	59%	0.587	20%	0.197	S	C	*	.	H	α-helix	trans	-66.5	-35.4	-176.2	-47.5	0	0	0	0	111.8	R691 Y692 L696 A698	R691-S694 PolarHBondContact O-N 3.26Å; Y692-S694 PolarHBondContact O-N 3.23Å; S694-L696 VanDerWaalsContact C-N 3.29Å; S694-L696 PolarHBondContact O-N 3.44Å; S694-A698 WeakPolarHBondContact O-CB 3.44Å; S694-A698 PolarHBondContact O-N 3.42Å
695	S	78	Confident	79.6	Confident	8 Å²	8	38.2 Å²	38.2	6%	0.056	21%	0.209	C	C	.	.	H	α-helix	trans	-66.5	-33.4	176.7	-171.3	0	0	0	0	112.2	N395 I396 R691 Y692 A693 P699	N395-S695 WeakPolarHBondContact CB-OG 3.25Å; I396-S695 VanDerWaalsContact CG1-OG 3.23Å; I396-S695 WeakPolarHBondContact CG1-OG 3.3Å; R691-S695 WeakPolarHBondContact O-CB 3.46Å; R691-S695 PolarHBondContact O-N 3.44Å; Y692-S695 WeakPolarHBondContact O-CB 3.37Å; Y692-S695 PolarHBondContact O-N 2.85Å; A693-S695 VanDerWaalsContact C-N 3.31Å; A693-S695 PolarHBondContact O-N 3.19Å; S695-P699 WeakPolarHBondContact O-CD 3.33Å
696	L	77	Confident	79.8	Confident	3 Å²	3	36.2 Å²	36.2	2%	0.016	20%	0.195	C	C	.	.	H	α-helix	trans	-78.9	-43.9	-178.9	-160.9	74.2	0	0	0	112.3	I396 Y692 A693 S694 A698 P699 L749 D750 C751 V754	I396-L696 HydrophobicContact CD1-CB 4.13Å; I396-L696 HydrophobicContact CD1-CD1 3.35Å; I396-L696 HydrophobicContact CD1-CG 4.35Å; Y692-L696 HydrophobicContact CE1-CD1 4.35Å; Y692-L696 HydrophobicContact CE1-CD2 4.14Å; Y692-L696 WeakPolarHBondContact O-CB 3.41Å; Y692-L696 PolarHBondContact O-N 3.5Å; A693-L696 WeakPolarHBondContact O-CB 3.16Å; A693-L696 PolarHBondContact O-N 3.46Å; A693-L696 VanDerWaalsContact O-N 3.17Å; S694-L696 VanDerWaalsContact C-N 3.29Å; S694-L696 PolarHBondContact O-N 3.44Å; L696-A698 VanDerWaalsContact C-N 3.31Å; L696-A698 PolarHBondContact O-N 3.27Å; L696-P699 WeakPolarHBondContact O-CD 3.41Å; L696-L749 VanDerWaalsContact CD2-C 3.49Å; L696-L749 HydrophobicContact CD2-CG 4.21Å; L696-L749 WeakPolarHBondContact CD2-O 3.33Å; L696-D750 VanDerWaalsContact CD2-CA 3.45Å; L696-C751 VanDerWaalsContact CD1-CA 3.44Å; L696-C751 HydrophobicContact CD1-CB 3.88Å; L696-V754 HydrophobicContact CD2-CG2 4.26Å; L696-V754 HydrophobicContact CG-CG2 3.92Å
697	G	83.1	Confident	79.9	Confident	26 Å²	26	36.4 Å²	36.4	27%	0.268	20%	0.197	S	C	.	.	H	α-helix	trans	-69.3	-26.7	179.1	0	0	0	0	0	113.8	A693 L700 H701	A693-G697 PolarHBondContact O-N 2.93Å; G697-L700 PolarHBondContact O-N 3.27Å; G697-H701 WeakPolarHBondContact O-CB 3.38Å; G697-H701 PolarHBondContact O-N 3.02Å
698	A	86.3	Confident	80.1	Confident	29 Å²	29	40.3 Å²	40.3	24%	0.24	22%	0.217	C	C	.	.	H	α-helix	trans	-56.2	-52.7	-176.5	0	0	0	0	0	114.7	S694 L696 L700 H701 N702	S694-A698 WeakPolarHBondContact O-CB 3.44Å; S694-A698 PolarHBondContact O-N 3.42Å; L696-A698 VanDerWaalsContact C-N 3.31Å; L696-A698 PolarHBondContact O-N 3.27Å; A698-L700 VanDerWaalsContact C-N 3.32Å; A698-L700 PolarHBondContact O-N 3.43Å; A698-H701 PolarHBondContact O-N 3.38Å; A698-N702 WeakPolarHBondContact O-CB 3.48Å; A698-N702 PolarHBondContact O-N 3.43Å; A698-N702 PolarHBondContact O-ND2 2.88Å
699	P	83.5	Confident	80.4	Confident	1 Å²	1	44 Å²	44	1%	0.006	23%	0.234	C	C	.	.	H	α-helix	trans	-62.5	-34.7	179.4	19.2	-30.4	0	0	0	113.7	T394 A399 S695 L696 S703 V754 I758	T394-P699 HydrophobicContact CG2-CB 3.88Å; T394-P699 HydrophobicContact CG2-CG 3.92Å; A399-P699 HydrophobicContact CB-CG 4.49Å; S695-P699 WeakPolarHBondContact O-CD 3.33Å; L696-P699 WeakPolarHBondContact O-CD 3.41Å; P699-S703 VanDerWaalsContact O-CB 3.28Å; P699-S703 WeakPolarHBondContact O-CB 3.28Å; P699-S703 PolarHBondContact O-N 2.91Å; P699-S703 PolarHBondContact O-OG 2.93Å; P699-V754 HydrophobicContact CG-CG1 4.15Å; P699-I758 HydrophobicContact CB-CD1 4.01Å
700	L	87.9	Confident	80.7	Confident	21 Å²	21	44.7 Å²	44.7	11%	0.11	24%	0.238	C	C	.	.	H	α-helix	trans	-64.6	-51.8	172.2	179.2	59.1	0	0	0	110.9	G697 A698 N702 S703 C704 V754 L757 I758 I761	G697-L700 PolarHBondContact O-N 3.27Å; A698-L700 VanDerWaalsContact C-N 3.32Å; A698-L700 PolarHBondContact O-N 3.43Å; L700-N702 VanDerWaalsContact C-N 3.35Å; L700-N702 PolarHBondContact O-N 3.41Å; L700-S703 WeakPolarHBondContact O-CB 3.44Å; L700-S703 PolarHBondContact O-N 3.48Å; L700-S703 VanDerWaalsContact O-N 3.13Å; L700-C704 PolarHBondContact O-N 3.29Å; L700-C704 PolarHBondContact O-SG 2.89Å; L700-C704 VanDerWaalsContact O-SG 3.39Å; L700-V754 HydrophobicContact CB-CG1 4.09Å; L700-L757 HydrophobicContact CD1-CB 3.64Å; L700-L757 HydrophobicContact CD2-CB 4.18Å; L700-L757 HydrophobicContact CD2-CD1 3.74Å; L700-I758 HydrophobicContact CD1-CG1 4.2Å; L700-I761 HydrophobicContact CD1-CD1 4.29Å
701	H	90.2	Very high	81.2	Confident	114 Å²	114	44.7 Å²	44.7	53%	0.528	24%	0.239	S	C	.	.	H	α-helix	trans	-57	-46.8	-179.7	-179.7	75.8	0	0	0	112.2	G697 A698 S703 C704 I705	G697-H701 WeakPolarHBondContact O-CB 3.38Å; G697-H701 PolarHBondContact O-N 3.02Å; A698-H701 PolarHBondContact O-N 3.38Å; H701-S703 VanDerWaalsContact C-N 3.33Å; H701-S703 PolarHBondContact O-N 3.4Å; H701-C704 WeakPolarHBondContact O-CB 3.31Å; H701-C704 PolarHBondContact O-N 2.84Å; H701-I705 WeakPolarHBondContact NE2-CD1 3.45Å; H701-I705 WeakPolarHBondContact O-CG1 3.19Å; H701-I705 PolarHBondContact O-N 3.2Å
702	N	87.9	Confident	81.9	Confident	43 Å²	43	42 Å²	42	23%	0.23	23%	0.232	C	C	.	.	H	α-helix	trans	-64.4	-38.5	177.9	-65.8	-17.2	0	0	0	111.6	I388 A698 L700 I705 S706	I388-N702 HydrophobicContact CG2-CB 3.59Å; A698-N702 WeakPolarHBondContact O-CB 3.48Å; A698-N702 PolarHBondContact O-N 3.43Å; A698-N702 PolarHBondContact O-ND2 2.88Å; L700-N702 VanDerWaalsContact C-N 3.35Å; L700-N702 PolarHBondContact O-N 3.41Å; N702-I705 PolarHBondContact O-N 3.46Å; N702-S706 WeakPolarHBondContact O-CB 3.48Å; N702-S706 PolarHBondContact O-N 2.93Å
703	S	85.1	Confident	82.1	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-65.2	-43.7	175.4	-60.5	0	0	0	0	111.3	P699 L700 H701 S706 A707	P699-S703 VanDerWaalsContact O-CB 3.28Å; P699-S703 WeakPolarHBondContact O-CB 3.28Å; P699-S703 PolarHBondContact O-N 2.91Å; P699-S703 PolarHBondContact O-OG 2.93Å; L700-S703 WeakPolarHBondContact O-CB 3.44Å; L700-S703 PolarHBondContact O-N 3.48Å; L700-S703 VanDerWaalsContact O-N 3.13Å; H701-S703 VanDerWaalsContact C-N 3.33Å; H701-S703 PolarHBondContact O-N 3.4Å; S703-S706 PolarHBondContact O-N 2.71Å; S703-S706 PolarHBondContact O-OG 3.11Å; S703-A707 PolarHBondContact O-N 3.05Å
704	C	88.6	Confident	82.7	Confident	39 Å²	39	44.8 Å²	44.8	26%	0.264	24%	0.241	S	C	.	.	H	α-helix	trans	-58.9	-49.2	174.1	-71.1	0	0	0	0	111.8	L700 H701 S706 A707 L708 I761	L700-C704 PolarHBondContact O-N 3.29Å; L700-C704 PolarHBondContact O-SG 2.89Å; L700-C704 VanDerWaalsContact O-SG 3.39Å; H701-C704 WeakPolarHBondContact O-CB 3.31Å; H701-C704 PolarHBondContact O-N 2.84Å; C704-S706 VanDerWaalsContact C-N 3.28Å; C704-S706 PolarHBondContact O-N 2.95Å; C704-A707 PolarHBondContact O-N 2.93Å; C704-L708 VanDerWaalsContact O-CG 3.29Å; C704-L708 WeakPolarHBondContact O-CG 3.42Å; C704-L708 PolarHBondContact O-N 3.48Å; C704-I761 VanDerWaalsContact SG-CD1 3.53Å
705	I	88.4	Confident	82.7	Confident	86 Å²	86	41.2 Å²	41.2	44%	0.441	22%	0.216	S	C	.	.	H	α-helix	trans	-59.4	-41.9	177.2	-71.3	175.2	0	0	0	110.8	H701 N702 L708 F709	H701-I705 WeakPolarHBondContact NE2-CD1 3.45Å; H701-I705 WeakPolarHBondContact O-CG1 3.19Å; H701-I705 PolarHBondContact O-N 3.2Å; N702-I705 PolarHBondContact O-N 3.46Å; I705-L708 PolarHBondContact O-N 3.19Å; I705-F709 VanDerWaalsContact O-CB 3.32Å; I705-F709 WeakPolarHBondContact O-CB 3.2Å; I705-F709 PolarHBondContact O-N 3.05Å
706	S	83.8	Confident	81.9	Confident	7 Å²	7	46.8 Å²	46.8	5%	0.049	24%	0.24	C	C	.	.	H	α-helix	trans	-65.1	-40.8	179.8	78.2	0	0	0	0	113.5	N702 S703 C704 F709 L710	N702-S706 WeakPolarHBondContact O-CB 3.48Å; N702-S706 PolarHBondContact O-N 2.93Å; S703-S706 PolarHBondContact O-N 2.71Å; S703-S706 PolarHBondContact O-OG 3.11Å; C704-S706 VanDerWaalsContact C-N 3.28Å; C704-S706 PolarHBondContact O-N 2.95Å; S706-F709 PolarHBondContact O-N 3.02Å; S706-L710 PolarHBondContact O-N 3.46Å
707	A	85.3	Confident	81	Confident	4 Å²	4	51.5 Å²	51.5	3%	0.033	26%	0.264	C	S	.	.	H	α-helix	trans	-64.4	-45.5	176.1	0	0	0	0	0	110.2	T385 S703 C704 F709 L710 L711 I761	T385-A707 HydrophobicContact CG2-CB 4.1Å; S703-A707 PolarHBondContact O-N 3.05Å; C704-A707 PolarHBondContact O-N 2.93Å; A707-F709 VanDerWaalsContact C-N 3.35Å; A707-F709 PolarHBondContact O-N 2.97Å; A707-L710 PolarHBondContact O-N 3.21Å; A707-L711 WeakPolarHBondContact O-CB 3.35Å; A707-L711 VanDerWaalsContact O-CG 3.25Å; A707-L711 WeakPolarHBondContact O-CG 3.23Å; A707-L711 PolarHBondContact O-N 3.47Å; A707-I761 HydrophobicContact CB-CG2 3.78Å
708	L	86.8	Confident	79.9	Confident	82 Å²	82	52.7 Å²	52.7	43%	0.429	27%	0.266	S	S	.	.	H	α-helix	trans	-60	-44.3	175.5	-70.1	173.5	0	0	0	111.9	C704 I705 L711 F712 T728	C704-L708 VanDerWaalsContact O-CG 3.29Å; C704-L708 WeakPolarHBondContact O-CG 3.42Å; C704-L708 PolarHBondContact O-N 3.48Å; I705-L708 PolarHBondContact O-N 3.19Å; L708-L711 PolarHBondContact O-N 3.24Å; L708-F712 WeakPolarHBondContact O-CB 3.43Å; L708-F712 PolarHBondContact O-N 3.42Å; L708-T728 HydrophobicContact CD2-CG2 3.32Å
709	F	84.2	Confident	78.9	Confident	124 Å²	124	52 Å²	52	54%	0.544	26%	0.26	S	S	.	.	H	α-helix	trans	-62	-46.2	177.7	-173.1	-95.6	0	0	0	111.2	I705 S706 A707 F712 F713	I705-F709 VanDerWaalsContact O-CB 3.32Å; I705-F709 WeakPolarHBondContact O-CB 3.2Å; I705-F709 PolarHBondContact O-N 3.05Å; S706-F709 PolarHBondContact O-N 3.02Å; A707-F709 VanDerWaalsContact C-N 3.35Å; A707-F709 PolarHBondContact O-N 2.97Å; F709-F712 WeakPolarHBondContact O-CB 3.42Å; F709-F712 PolarHBondContact O-N 3.33Å; F709-F713 AromaticContact CD1-CD2 3.7Å; F709-F713 HydrophobicContact CD1-CD2 3.7Å; F709-F713 AromaticContact CD1-CE2 3.96Å; F709-F713 HydrophobicContact CD1-CE2 3.96Å; F709-F713 HydrophobicContact CD2-CD2 4.19Å; F709-F713 AromaticContact CD2-CE2 3.89Å; F709-F713 HydrophobicContact CD2-CE2 3.89Å; F709-F713 AromaticContact CE1-CD2 3.46Å; F709-F713 HydrophobicContact CE1-CD2 3.46Å; F709-F713 VanDerWaalsContact CE1-CD2 3.46Å; F709-F713 AromaticContact CE1-CE2 3.35Å; F709-F713 HydrophobicContact CE1-CE2 3.35Å; F709-F713 HydrophobicContact CE1-CG 4.38Å; F709-F713 HydrophobicContact CE1-CZ 4.13Å; F709-F713 HydrophobicContact CE2-CD2 4Å; F709-F713 AromaticContact CE2-CE2 3.3Å; F709-F713 HydrophobicContact CE2-CE2 3.3Å; F709-F713 HydrophobicContact CE2-CZ 4.18Å; F709-F713 HydrophobicContact CG-CD2 4.08Å; F709-F713 HydrophobicContact CG-CE2 4.21Å; F709-F713 AromaticContact CZ-CD2 3.64Å; F709-F713 HydrophobicContact CZ-CD2 3.64Å; F709-F713 AromaticContact CZ-CE2 2.99Å; F709-F713 HydrophobicContact CZ-CE2 2.99Å; F709-F713 AromaticContact CZ-CZ 3.65Å; F709-F713 HydrophobicContact CZ-CZ 3.65Å; F709-F713 WeakPolarHBondContact O-CD2 3.45Å; F709-F713 PolarHBondContact O-N 3.21Å
710	L	82.4	Confident	78.4	Confident	44 Å²	44	54.9 Å²	54.9	23%	0.23	28%	0.276	C	S	.	.	H	α-helix	trans	-66.6	-38.5	177	-77.3	-179.5	0	0	0	113.5	M381 V384 S706 A707 F712 F713 S714	M381-L710 HydrophobicContact CE-CB 3.75Å; M381-L710 HydrophobicContact CE-CD1 4.4Å; M381-L710 HydrophobicContact SD-CB 3.57Å; M381-L710 VanDerWaalsContact SD-CB 3.57Å; M381-L710 HydrophobicContact SD-CD1 3.53Å; M381-L710 VanDerWaalsContact SD-CD1 3.53Å; M381-L710 HydrophobicContact SD-CG 4.25Å; V384-L710 HydrophobicContact CB-CD1 3.49Å; V384-L710 VanDerWaalsContact CB-CD1 3.49Å; V384-L710 HydrophobicContact CG1-CD1 3.54Å; V384-L710 HydrophobicContact CG1-CG 4.12Å; V384-L710 HydrophobicContact CG2-CD1 3.77Å; S706-L710 PolarHBondContact O-N 3.46Å; A707-L710 PolarHBondContact O-N 3.21Å; L710-F712 VanDerWaalsContact C-N 3.28Å; L710-F712 PolarHBondContact O-N 3.13Å; L710-F713 PolarHBondContact O-N 2.88Å; L710-S714 VanDerWaalsContact O-CB 3.31Å; L710-S714 WeakPolarHBondContact O-CB 3.38Å; L710-S714 PolarHBondContact O-N 2.93Å; L710-S714 PolarHBondContact O-OG 3Å
711	L	82.2	Confident	77.8	Confident	6 Å²	6	57.1 Å²	57.1	3%	0.031	29%	0.293	C	S	.	.	H	α-helix	trans	-63.5	-37.9	172.8	-70.1	174.2	0	0	0	110.5	M381 A707 L708 S714 A715 N724 I727 T728	M381-L711 HydrophobicContact CE-CD2 4.14Å; A707-L711 WeakPolarHBondContact O-CB 3.35Å; A707-L711 VanDerWaalsContact O-CG 3.25Å; A707-L711 WeakPolarHBondContact O-CG 3.23Å; A707-L711 PolarHBondContact O-N 3.47Å; L708-L711 PolarHBondContact O-N 3.24Å; L711-S714 PolarHBondContact O-OG 2.73Å; L711-A715 PolarHBondContact O-N 3.42Å; L711-N724 HydrophobicContact CB-CB 4.36Å; L711-N724 WeakPolarHBondContact O-CB 3.44Å; L711-N724 PolarHBondContact O-ND2 3.23Å; L711-I727 HydrophobicContact CD1-CB 4.47Å; L711-I727 HydrophobicContact CD1-CG2 3.83Å; L711-I727 HydrophobicContact CD2-CB 4.3Å; L711-I727 HydrophobicContact CD2-CD1 4.33Å; L711-I727 HydrophobicContact CD2-CG2 3.84Å; L711-T728 WeakPolarHBondContact CD1-OG1 3.36Å
712	F	78.4	Confident	77.3	Confident	118 Å²	118	56.5 Å²	56.5	52%	0.518	29%	0.293	S	S	.	.	H	α-helix	trans	-64.2	-49.2	172.8	180	-98.6	0	0	0	111.8	L708 F709 L710 S714 A715 F716	L708-F712 WeakPolarHBondContact O-CB 3.43Å; L708-F712 PolarHBondContact O-N 3.42Å; F709-F712 WeakPolarHBondContact O-CB 3.42Å; F709-F712 PolarHBondContact O-N 3.33Å; L710-F712 VanDerWaalsContact C-N 3.28Å; L710-F712 PolarHBondContact O-N 3.13Å; F712-S714 PolarHBondContact O-N 3.38Å; F712-A715 WeakPolarHBondContact O-CB 3.26Å; F712-A715 PolarHBondContact O-N 3.04Å; F712-A715 VanDerWaalsContact O-N 3.09Å; F712-F716 HydrophobicContact CD1-CE2 4.01Å; F712-F716 HydrophobicContact CD2-CE2 4.17Å; F712-F716 HydrophobicContact CE1-CD2 4.3Å; F712-F716 AromaticContact CE1-CE2 3.53Å; F712-F716 HydrophobicContact CE1-CE2 3.53Å; F712-F716 HydrophobicContact CE1-CZ 4.31Å; F712-F716 AromaticContact CE2-CE2 3.71Å; F712-F716 HydrophobicContact CE2-CE2 3.71Å; F712-F716 HydrophobicContact CE2-CZ 4.17Å; F712-F716 HydrophobicContact CG-CE2 4.32Å; F712-F716 AromaticContact CZ-CE2 3.38Å; F712-F716 HydrophobicContact CZ-CE2 3.38Å; F712-F716 AromaticContact CZ-CZ 3.81Å; F712-F716 HydrophobicContact CZ-CZ 3.81Å; F712-F716 VanDerWaalsContact O-CD2 3.26Å; F712-F716 WeakPolarHBondContact O-CD2 3.08Å
713	F	71.7	Confident	76.9	Confident	91 Å²	91	54.8 Å²	54.8	40%	0.399	28%	0.284	S	S	.	.	H	α-helix	trans	-65.9	-39.7	-179.7	-90.6	-90.7	0	0	0	113.3	F709 L710 A715 F716 L717	F709-F713 AromaticContact CD1-CD2 3.7Å; F709-F713 HydrophobicContact CD1-CD2 3.7Å; F709-F713 AromaticContact CD1-CE2 3.96Å; F709-F713 HydrophobicContact CD1-CE2 3.96Å; F709-F713 HydrophobicContact CD2-CD2 4.19Å; F709-F713 AromaticContact CD2-CE2 3.89Å; F709-F713 HydrophobicContact CD2-CE2 3.89Å; F709-F713 AromaticContact CE1-CD2 3.46Å; F709-F713 HydrophobicContact CE1-CD2 3.46Å; F709-F713 VanDerWaalsContact CE1-CD2 3.46Å; F709-F713 AromaticContact CE1-CE2 3.35Å; F709-F713 HydrophobicContact CE1-CE2 3.35Å; F709-F713 HydrophobicContact CE1-CG 4.38Å; F709-F713 HydrophobicContact CE1-CZ 4.13Å; F709-F713 HydrophobicContact CE2-CD2 4Å; F709-F713 AromaticContact CE2-CE2 3.3Å; F709-F713 HydrophobicContact CE2-CE2 3.3Å; F709-F713 HydrophobicContact CE2-CZ 4.18Å; F709-F713 HydrophobicContact CG-CD2 4.08Å; F709-F713 HydrophobicContact CG-CE2 4.21Å; F709-F713 AromaticContact CZ-CD2 3.64Å; F709-F713 HydrophobicContact CZ-CD2 3.64Å; F709-F713 AromaticContact CZ-CE2 2.99Å; F709-F713 HydrophobicContact CZ-CE2 2.99Å; F709-F713 AromaticContact CZ-CZ 3.65Å; F709-F713 HydrophobicContact CZ-CZ 3.65Å; F709-F713 WeakPolarHBondContact O-CD2 3.45Å; F709-F713 PolarHBondContact O-N 3.21Å; L710-F713 PolarHBondContact O-N 2.88Å; F713-A715 PolarHBondContact O-N 3.38Å; F713-F716 PolarHBondContact O-N 3.46Å; F713-F716 VanDerWaalsContact O-N 3.09Å; F713-L717 PolarHBondContact O-N 3.42Å
714	S	75.1	Confident	76.8	Confident	11 Å²	11	55.2 Å²	55.2	8%	0.077	29%	0.286	C	S	.	.	H	α-helix	trans	-64.1	-23.1	175.8	73.9	0	0	0	0	111.7	L710 L711 F712 F716 L717 V718 A719 N724	L710-S714 VanDerWaalsContact O-CB 3.31Å; L710-S714 WeakPolarHBondContact O-CB 3.38Å; L710-S714 PolarHBondContact O-N 2.93Å; L710-S714 PolarHBondContact O-OG 3Å; L711-S714 PolarHBondContact O-OG 2.73Å; F712-S714 PolarHBondContact O-N 3.38Å; S714-F716 PolarHBondContact O-N 2.93Å; S714-L717 PolarHBondContact O-N 3.3Å; S714-V718 PolarHBondContact O-N 2.77Å; S714-A719 PolarHBondContact O-N 3.29Å; S714-N724 PolarHBondContact OG-ND2 3.27Å; S714-N724 PolarHBondContact OG-OD1 2.92Å
715	A	70.1	Confident	76.6	Confident	9 Å²	9	56.6 Å²	56.6	7%	0.074	29%	0.293	C	S	.	.	H	α-helix	trans	-68.5	-24.5	177.1	0	0	0	0	0	112	R3 L711 F712 F713 N724	R3-A715 PolarHBondContact NH1-O 3.48Å; R3-A715 PolarHBondContact NH2-O 3.31Å; L711-A715 PolarHBondContact O-N 3.42Å; F712-A715 WeakPolarHBondContact O-CB 3.26Å; F712-A715 PolarHBondContact O-N 3.04Å; F712-A715 VanDerWaalsContact O-N 3.09Å; F713-A715 PolarHBondContact O-N 3.38Å; A715-N724 WeakPolarHBondContact CA-ND2 3.5Å; A715-N724 HydrophobicContact CB-CB 4.29Å; A715-N724 VanDerWaalsContact CB-ND2 3.26Å; A715-N724 WeakPolarHBondContact CB-ND2 3.32Å; A715-N724 PolarHBondContact N-ND2 3.48Å
716	F	61.1	Low	76.6	Confident	124 Å²	124	55 Å²	55	54%	0.544	28%	0.282	S	S	.	.	H	α-helix	trans	-87.7	-40.7	174.8	-68.3	-85.2	0	0	0	111.4	R3 F712 F713 S714	R3-F716 PolarHBondContact NE-O 3.32Å; R3-F716 PolarHBondContact NH2-O 3.46Å; F712-F716 HydrophobicContact CD1-CE2 4.01Å; F712-F716 HydrophobicContact CD2-CE2 4.17Å; F712-F716 HydrophobicContact CE1-CD2 4.3Å; F712-F716 AromaticContact CE1-CE2 3.53Å; F712-F716 HydrophobicContact CE1-CE2 3.53Å; F712-F716 HydrophobicContact CE1-CZ 4.31Å; F712-F716 AromaticContact CE2-CE2 3.71Å; F712-F716 HydrophobicContact CE2-CE2 3.71Å; F712-F716 HydrophobicContact CE2-CZ 4.17Å; F712-F716 HydrophobicContact CG-CE2 4.32Å; F712-F716 AromaticContact CZ-CE2 3.38Å; F712-F716 HydrophobicContact CZ-CE2 3.38Å; F712-F716 AromaticContact CZ-CZ 3.81Å; F712-F716 HydrophobicContact CZ-CZ 3.81Å; F712-F716 VanDerWaalsContact O-CD2 3.26Å; F712-F716 WeakPolarHBondContact O-CD2 3.08Å; F713-F716 PolarHBondContact O-N 3.46Å; F713-F716 VanDerWaalsContact O-N 3.09Å; S714-F716 PolarHBondContact O-N 2.93Å
717	L	59.1	Low	76.8	Confident	103 Å²	103	54.9 Å²	54.9	54%	0.539	28%	0.281	S	S	.	.	H	α-helix	trans	-90.1	-45.8	-168.1	-67	169.9	0	0	0	114.8	F713 S714	F713-L717 PolarHBondContact O-N 3.42Å; S714-L717 PolarHBondContact O-N 3.3Å
718	V	60.1	Low	77	Confident	51 Å²	51	56.4 Å²	56.4	31%	0.309	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.7	-55.1	-163.6	-175.1	0	0	0	0	112.4	L6 S714	L6-V718 HydrophobicContact CD2-CG2 3.94Å; S714-V718 PolarHBondContact O-N 2.77Å
719	A	65	Low	77.2	Confident	13 Å²	13	56.8 Å²	56.8	11%	0.107	29%	0.292	C	S	.	.	S	Bend	trans	-89.4	157.6	-173.7	0	0	0	0	0	112.2	R3 S714 I723	R3-A719 PolarHBondContact NH1-O 3.47Å; S714-A719 PolarHBondContact O-N 3.29Å; A719-I723 HydrophobicContact CB-CB 4.41Å; A719-I723 HydrophobicContact CB-CD1 4.46Å; A719-I723 HydrophobicContact CB-CG2 4.46Å
720	D	72.5	Confident	77.7	Confident	63 Å²	63	51.3 Å²	51.3	34%	0.337	27%	0.268	S	S	.	.			trans	-66.4	142.9	166.1	-164.5	-57.9	0	0	0	109.3	L722 I723 N724 V776	D720-L722 PolarHBondContact O-N 2.88Å; D720-L722 VanDerWaalsContact O-N 3.13Å; D720-L722 PolarHBondContact OD1-N 3.43Å; D720-I723 HydrophobicContact CB-CD1 3.9Å; D720-I723 HydrophobicContact CB-CG1 4.1Å; D720-I723 WeakPolarHBondContact O-CB 3.41Å; D720-I723 PolarHBondContact O-N 3.04Å; D720-N724 PolarHBondContact O-N 3.32Å; D720-V776 HydrophobicContact CB-CG1 3.89Å
721	S	75.8	Confident	78.2	Confident	67 Å²	67	50 Å²	50	47%	0.469	26%	0.262	S	S	.	.	H	α-helix	trans	-56.5	-31.7	178.3	-173.4	0	0	0	0	111.9	N724 V725	S721-N724 PolarHBondContact O-N 2.98Å; S721-V725 WeakPolarHBondContact O-CG2 3.22Å; S721-V725 PolarHBondContact O-N 3.49Å
722	L	79.8	Confident	78.7	Confident	101 Å²	101	53.7 Å²	53.7	53%	0.529	29%	0.285	S	S	.	.	H	α-helix	trans	-66.7	-37.7	177.2	-67.3	174.2	0	0	0	112.4	D720 N724 V725 W726 V776	D720-L722 PolarHBondContact O-N 2.88Å; D720-L722 VanDerWaalsContact O-N 3.13Å; D720-L722 PolarHBondContact OD1-N 3.43Å; L722-N724 VanDerWaalsContact C-N 3.32Å; L722-N724 PolarHBondContact O-N 3.15Å; L722-V725 PolarHBondContact O-N 2.83Å; L722-W726 PolarHBondContact O-N 3.38Å; L722-W726 VanDerWaalsContact O-N 3.11Å; L722-V776 HydrophobicContact CB-CG1 4.48Å
723	I	79.5	Confident	79.5	Confident	7 Å²	7	48.6 Å²	48.6	4%	0.036	26%	0.264	C	S	.	.	H	α-helix	trans	-59.6	-48.1	178.4	-66.7	166.1	0	0	0	109.3	A719 D720 V725 W726 I727 L772 V776	A719-I723 HydrophobicContact CB-CB 4.41Å; A719-I723 HydrophobicContact CB-CD1 4.46Å; A719-I723 HydrophobicContact CB-CG2 4.46Å; D720-I723 HydrophobicContact CB-CD1 3.9Å; D720-I723 HydrophobicContact CB-CG1 4.1Å; D720-I723 WeakPolarHBondContact O-CB 3.41Å; D720-I723 PolarHBondContact O-N 3.04Å; I723-V725 PolarHBondContact O-N 2.99Å; I723-W726 PolarHBondContact O-N 2.96Å; I723-I727 HydrophobicContact CG2-CD1 3.56Å; I723-I727 HydrophobicContact CG2-CG1 4.22Å; I723-I727 WeakPolarHBondContact O-CG1 3.43Å; I723-I727 PolarHBondContact O-N 3.23Å; I723-L772 HydrophobicContact CG2-CB 4.28Å; I723-V776 HydrophobicContact CD1-CB 4Å; I723-V776 HydrophobicContact CD1-CG1 4.13Å; I723-V776 HydrophobicContact CG1-CB 3.56Å; I723-V776 HydrophobicContact CG1-CG1 3.77Å; I723-V776 HydrophobicContact CG1-CG2 3.65Å
724	N	83.1	Confident	80.7	Confident	9 Å²	9	44.3 Å²	44.3	5%	0.048	25%	0.245	C	C	.	.	H	α-helix	trans	-70.9	-32.6	-175.2	-67.4	-16.9	0	0	0	113	L711 S714 A715 D720 S721 L722 T728	L711-N724 HydrophobicContact CB-CB 4.36Å; L711-N724 WeakPolarHBondContact O-CB 3.44Å; L711-N724 PolarHBondContact O-ND2 3.23Å; S714-N724 PolarHBondContact OG-ND2 3.27Å; S714-N724 PolarHBondContact OG-OD1 2.92Å; A715-N724 WeakPolarHBondContact CA-ND2 3.5Å; A715-N724 HydrophobicContact CB-CB 4.29Å; A715-N724 VanDerWaalsContact CB-ND2 3.26Å; A715-N724 WeakPolarHBondContact CB-ND2 3.32Å; A715-N724 PolarHBondContact N-ND2 3.48Å; D720-N724 PolarHBondContact O-N 3.32Å; S721-N724 PolarHBondContact O-N 2.98Å; L722-N724 VanDerWaalsContact C-N 3.32Å; L722-N724 PolarHBondContact O-N 3.15Å; N724-T728 VanDerWaalsContact O-CB 3.24Å; N724-T728 WeakPolarHBondContact O-CB 3.31Å; N724-T728 PolarHBondContact O-N 3.25Å; N724-T728 PolarHBondContact O-OG1 3.18Å
725	V	85.3	Confident	81.6	Confident	69 Å²	69	44.4 Å²	44.4	42%	0.418	24%	0.244	S	C	.	.	H	α-helix	trans	-60.5	-47.8	170.3	170.3	0	0	0	0	110.4	S721 L722 I723 T728 L729	S721-V725 WeakPolarHBondContact O-CG2 3.22Å; S721-V725 PolarHBondContact O-N 3.49Å; L722-V725 PolarHBondContact O-N 2.83Å; I723-V725 PolarHBondContact O-N 2.99Å; V725-T728 PolarHBondContact O-N 2.89Å; V725-L729 HydrophobicContact CG1-CD1 4.01Å; V725-L729 WeakPolarHBondContact O-CG 3.42Å; V725-L729 PolarHBondContact O-N 2.91Å
726	W	86.9	Confident	82.8	Confident	51 Å²	51	46.5 Å²	46.5	19%	0.193	25%	0.252	C	S	.	.	H	α-helix	trans	-69	-39.7	-179.3	-73.7	116.7	0	0	0	113.7	L722 I723 T728 L729 T730 L772 I845 L846 L849	L722-W726 PolarHBondContact O-N 3.38Å; L722-W726 VanDerWaalsContact O-N 3.11Å; I723-W726 PolarHBondContact O-N 2.96Å; W726-T728 VanDerWaalsContact C-N 3.31Å; W726-T728 PolarHBondContact O-N 3.15Å; W726-L729 HydrophobicContact CE3-CD1 4Å; W726-L729 HydrophobicContact CH2-CD1 4.48Å; W726-L729 HydrophobicContact CZ3-CD1 3.89Å; W726-L729 PolarHBondContact O-N 2.94Å; W726-T730 WeakPolarHBondContact O-CB 3.49Å; W726-T730 PolarHBondContact O-N 2.97Å; W726-T730 PolarHBondContact O-OG1 3.42Å; W726-L772 HydrophobicContact CB-CD1 3.79Å; W726-L772 HydrophobicContact CB-CD2 3.69Å; W726-L772 HydrophobicContact CB-CG 4.4Å; W726-L772 HydrophobicContact CG-CD2 4.22Å; W726-I845 HydrophobicContact CE3-CG2 4.38Å; W726-I845 HydrophobicContact CH2-CG2 3.79Å; W726-I845 HydrophobicContact CZ3-CG2 3.61Å; W726-L846 HydrophobicContact CD2-CD2 4.48Å; W726-L846 HydrophobicContact CG-CD2 4.47Å; W726-L849 HydrophobicContact CH2-CD1 3.55Å; W726-L849 HydrophobicContact CH2-CD2 4.4Å; W726-L849 HydrophobicContact CZ2-CD1 3.14Å; W726-L849 HydrophobicContact CZ2-CD2 3.99Å; W726-L849 HydrophobicContact CZ2-CG 4.17Å
727	I	89.2	Confident	84.5	Confident	6 Å²	6	40.6 Å²	40.6	3%	0.031	23%	0.226	C	C	.	.	H	α-helix	trans	-60.1	-46.9	173.4	-66.6	169.3	0	0	0	109.2	L711 I723 L729 T730 V731 I765 A769 L772	L711-I727 HydrophobicContact CD1-CB 4.47Å; L711-I727 HydrophobicContact CD1-CG2 3.83Å; L711-I727 HydrophobicContact CD2-CB 4.3Å; L711-I727 HydrophobicContact CD2-CD1 4.33Å; L711-I727 HydrophobicContact CD2-CG2 3.84Å; I723-I727 HydrophobicContact CG2-CD1 3.56Å; I723-I727 HydrophobicContact CG2-CG1 4.22Å; I723-I727 WeakPolarHBondContact O-CG1 3.43Å; I723-I727 PolarHBondContact O-N 3.23Å; I727-L729 PolarHBondContact O-N 2.81Å; I727-T730 PolarHBondContact O-N 3.03Å; I727-V731 HydrophobicContact CG2-CG2 4.18Å; I727-V731 VanDerWaalsContact O-CG2 3.31Å; I727-V731 WeakPolarHBondContact O-CG2 3.22Å; I727-V731 PolarHBondContact O-N 3.29Å; I727-I765 HydrophobicContact CG2-CG1 3.94Å; I727-A769 HydrophobicContact CD1-CB 3.49Å; I727-A769 VanDerWaalsContact CD1-CB 3.49Å; I727-A769 HydrophobicContact CG1-CB 4.18Å; I727-L772 HydrophobicContact CB-CD1 4.41Å; I727-L772 HydrophobicContact CG1-CD1 3.52Å
728	T	89.5	Confident	86.4	Confident	35 Å²	35	35.7 Å²	35.7	22%	0.215	20%	0.2	C	C	.	.	H	α-helix	trans	-58.9	-49.8	179.2	-60.7	0	0	0	0	111.7	L708 L711 N724 V725 W726 T730 V731 V732	L708-T728 HydrophobicContact CD2-CG2 3.32Å; L711-T728 WeakPolarHBondContact CD1-OG1 3.36Å; N724-T728 VanDerWaalsContact O-CB 3.24Å; N724-T728 WeakPolarHBondContact O-CB 3.31Å; N724-T728 PolarHBondContact O-N 3.25Å; N724-T728 PolarHBondContact O-OG1 3.18Å; V725-T728 PolarHBondContact O-N 2.89Å; W726-T728 VanDerWaalsContact C-N 3.31Å; W726-T728 PolarHBondContact O-N 3.15Å; T728-T730 VanDerWaalsContact C-N 3.27Å; T728-T730 PolarHBondContact O-N 2.89Å; T728-V731 PolarHBondContact O-N 3.35Å; T728-V732 HydrophobicContact CG2-CG2 4.4Å; T728-V732 WeakPolarHBondContact O-CB 3.44Å; T728-V732 VanDerWaalsContact O-CG2 3.29Å; T728-V732 WeakPolarHBondContact O-CG2 3.34Å; T728-V732 PolarHBondContact O-N 3.15Å
729	L	91.2	Very high	88.1	Confident	91 Å²	91	34.5 Å²	34.5	48%	0.476	19%	0.192	S	C	.	.	H	α-helix	trans	-61.5	-37.4	178.3	-70.7	173.7	0	0	0	112.2	V725 W726 I727 S733	V725-L729 HydrophobicContact CG1-CD1 4.01Å; V725-L729 WeakPolarHBondContact O-CG 3.42Å; V725-L729 PolarHBondContact O-N 2.91Å; W726-L729 HydrophobicContact CE3-CD1 4Å; W726-L729 HydrophobicContact CH2-CD1 4.48Å; W726-L729 HydrophobicContact CZ3-CD1 3.89Å; W726-L729 PolarHBondContact O-N 2.94Å; I727-L729 PolarHBondContact O-N 2.81Å; L729-S733 VanDerWaalsContact O-CB 3.32Å; L729-S733 WeakPolarHBondContact O-CB 3.24Å; L729-S733 PolarHBondContact O-N 3.49Å
730	T	93.3	Very high	89.6	Confident	9 Å²	9	33.9 Å²	33.9	6%	0.055	19%	0.187	C	C	.	.	H	α-helix	trans	-68.4	-47.6	178.4	-54	0	0	0	0	110.8	W726 I727 T728 V732 S733 V734 T764 C768 H837	W726-T730 WeakPolarHBondContact O-CB 3.49Å; W726-T730 PolarHBondContact O-N 2.97Å; W726-T730 PolarHBondContact O-OG1 3.42Å; I727-T730 PolarHBondContact O-N 3.03Å; T728-T730 VanDerWaalsContact C-N 3.27Å; T728-T730 PolarHBondContact O-N 2.89Å; T730-V732 PolarHBondContact O-N 2.99Å; T730-S733 PolarHBondContact O-N 2.94Å; T730-V734 HydrophobicContact CG2-CG2 4.42Å; T730-V734 VanDerWaalsContact O-CG2 3.31Å; T730-V734 WeakPolarHBondContact O-CG2 3.34Å; T730-V734 PolarHBondContact O-N 3.41Å; T730-T764 HydrophobicContact CG2-CG2 4.07Å; T730-C768 HydrophobicContact CG2-CB 4.39Å; T730-H837 HydrophobicContact CG2-CB 4.03Å
731	V	93.1	Very high	90.8	Very high	16 Å²	16	33.3 Å²	33.3	10%	0.097	18%	0.181	C	C	.	.	H	α-helix	trans	-59.1	-47.2	176.4	170.3	0	0	0	0	110.8	I727 T728 S733 V734 E735 I761 T764 I765	I727-V731 HydrophobicContact CG2-CG2 4.18Å; I727-V731 VanDerWaalsContact O-CG2 3.31Å; I727-V731 WeakPolarHBondContact O-CG2 3.22Å; I727-V731 PolarHBondContact O-N 3.29Å; T728-V731 PolarHBondContact O-N 3.35Å; V731-S733 VanDerWaalsContact C-N 3.32Å; V731-S733 PolarHBondContact O-N 3.37Å; V731-V734 PolarHBondContact O-N 2.98Å; V731-E735 HydrophobicContact CG1-CG 4.27Å; V731-E735 WeakPolarHBondContact O-CB 3.31Å; V731-E735 WeakPolarHBondContact O-CG 3.47Å; V731-E735 PolarHBondContact O-N 3.1Å; V731-I761 HydrophobicContact CG1-CB 4.48Å; V731-I761 HydrophobicContact CG1-CG1 4.47Å; V731-I761 HydrophobicContact CG1-CG2 4.04Å; V731-T764 HydrophobicContact CG2-CG2 3.94Å; V731-I765 HydrophobicContact CG2-CD1 4.32Å; V731-I765 HydrophobicContact CG2-CG1 3.73Å
732	V	93.3	Very high	91.7	Very high	84 Å²	84	30.3 Å²	30.3	51%	0.509	16%	0.16	S	C	.	.	H	α-helix	trans	-60.2	-43	177.4	170.2	0	0	0	0	111.2	T728 T730 F736	T728-V732 HydrophobicContact CG2-CG2 4.4Å; T728-V732 WeakPolarHBondContact O-CB 3.44Å; T728-V732 VanDerWaalsContact O-CG2 3.29Å; T728-V732 WeakPolarHBondContact O-CG2 3.34Å; T728-V732 PolarHBondContact O-N 3.15Å; T730-V732 PolarHBondContact O-N 2.99Å; V732-F736 WeakPolarHBondContact O-CB 3.29Å; V732-F736 PolarHBondContact O-N 2.91Å
733	S	96	Very high	92.4	Very high	11 Å²	11	26.5 Å²	26.5	8%	0.077	14%	0.141	C	C	.	.	H	α-helix	trans	-66.1	-41.4	178.5	-167.4	0	0	0	0	112.4	Y508 Y511 L729 T730 V731 G737 H837	Y508-S733 WeakPolarHBondContact CE2-OG 3.31Å; Y508-S733 PolarHBondContact OH-OG 3.2Å; Y511-S733 PolarHBondContact OH-O 2.88Å; L729-S733 VanDerWaalsContact O-CB 3.32Å; L729-S733 WeakPolarHBondContact O-CB 3.24Å; L729-S733 PolarHBondContact O-N 3.49Å; T730-S733 PolarHBondContact O-N 2.94Å; V731-S733 VanDerWaalsContact C-N 3.32Å; V731-S733 PolarHBondContact O-N 3.37Å; S733-G737 PolarHBondContact O-N 3.38Å; S733-H837 PolarHBondContact OG-NE2 3.03Å
734	V	96.6	Very high	93.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66	-50.9	176.8	173.1	0	0	0	0	110.9	T730 V731 F736 G737 V738 T764 V833 H837	T730-V734 HydrophobicContact CG2-CG2 4.42Å; T730-V734 VanDerWaalsContact O-CG2 3.31Å; T730-V734 WeakPolarHBondContact O-CG2 3.34Å; T730-V734 PolarHBondContact O-N 3.41Å; V731-V734 PolarHBondContact O-N 2.98Å; V734-F736 VanDerWaalsContact C-N 3.34Å; V734-F736 PolarHBondContact O-N 2.8Å; V734-G737 PolarHBondContact O-N 3.03Å; V734-V738 HydrophobicContact CG1-CG2 4.05Å; V734-V738 WeakPolarHBondContact O-CB 3.43Å; V734-V738 VanDerWaalsContact O-CG2 3.27Å; V734-V738 WeakPolarHBondContact O-CG2 3.41Å; V734-V738 PolarHBondContact O-N 3.34Å; V734-T764 HydrophobicContact CB-CG2 4.23Å; V734-T764 WeakPolarHBondContact CG1-OG1 3.33Å; V734-T764 HydrophobicContact CG2-CG2 3.83Å; V734-V833 HydrophobicContact CB-CG1 4.27Å; V734-V833 HydrophobicContact CG1-CB 4.46Å; V734-V833 HydrophobicContact CG1-CG1 3.96Å; V734-V833 HydrophobicContact CG2-CG1 4.16Å; V734-H837 HydrophobicContact CG2-CB 4.09Å
735	E	93.7	Very high	93.8	Very high	13 Å²	13	33.1 Å²	33.1	6%	0.061	17%	0.169	C	C	.	.	H	α-helix	trans	-57.4	-47.1	178.6	-75.7	-62.9	133.8	0	0	111.4	V731 G737 V738 I739 I761	V731-E735 HydrophobicContact CG1-CG 4.27Å; V731-E735 WeakPolarHBondContact O-CB 3.31Å; V731-E735 WeakPolarHBondContact O-CG 3.47Å; V731-E735 PolarHBondContact O-N 3.1Å; E735-G737 VanDerWaalsContact C-N 3.34Å; E735-G737 PolarHBondContact O-N 2.65Å; E735-V738 PolarHBondContact O-N 3.05Å; E735-I739 VanDerWaalsContact O-CG1 3.29Å; E735-I739 WeakPolarHBondContact O-CG1 3.46Å; E735-I739 PolarHBondContact O-N 2.92Å; E735-I761 HydrophobicContact CG-CG1 4.02Å; E735-I761 WeakPolarHBondContact OE1-CG1 3.18Å; E735-I761 PolarHBondContact OE1-N 3.05Å
736	F	95.6	Very high	94.1	Very high	54 Å²	54	38.7 Å²	38.7	24%	0.237	19%	0.187	C	C	.	.	H	α-helix	trans	-58.4	-45.1	177	-180	-104.3	0	0	0	112.2	A515 L516 Y519 V732 V734 G740	A515-F736 HydrophobicContact CB-CD1 3.73Å; A515-F736 HydrophobicContact CB-CE1 3.61Å; L516-F736 HydrophobicContact CB-CE1 4.26Å; L516-F736 HydrophobicContact CB-CZ 3.91Å; L516-F736 HydrophobicContact CD1-CZ 3.9Å; Y519-F736 AromaticContact CD1-CE2 3.95Å; Y519-F736 HydrophobicContact CD1-CE2 3.95Å; Y519-F736 AromaticContact CD2-CD2 3.7Å; Y519-F736 HydrophobicContact CD2-CD2 3.7Å; Y519-F736 AromaticContact CD2-CE2 3.7Å; Y519-F736 HydrophobicContact CD2-CE2 3.7Å; Y519-F736 HydrophobicContact CE2-CD2 4.12Å; Y519-F736 HydrophobicContact CE2-CE2 4.31Å; Y519-F736 HydrophobicContact CG-CD2 4.01Å; Y519-F736 AromaticContact CG-CE2 3.5Å; Y519-F736 HydrophobicContact CG-CE2 3.5Å; Y519-F736 HydrophobicContact CG-CZ 4.35Å; V732-F736 WeakPolarHBondContact O-CB 3.29Å; V732-F736 PolarHBondContact O-N 2.91Å; V734-F736 VanDerWaalsContact C-N 3.34Å; V734-F736 PolarHBondContact O-N 2.8Å; F736-G740 PolarHBondContact O-N 3Å
737	G	97.1	Very high	94.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-67.3	-44.4	177	0	0	0	0	0	113.4	Y511 S733 V734 E735 I739 G740 F741	Y511-G737 VanDerWaalsContact OH-CA 3.24Å; Y511-G737 WeakPolarHBondContact OH-CA 3.02Å; S733-G737 PolarHBondContact O-N 3.38Å; V734-G737 PolarHBondContact O-N 3.03Å; E735-G737 VanDerWaalsContact C-N 3.34Å; E735-G737 PolarHBondContact O-N 2.65Å; G737-I739 VanDerWaalsContact C-N 3.33Å; G737-I739 PolarHBondContact O-N 2.77Å; G737-G740 PolarHBondContact O-N 3.37Å; G737-F741 WeakPolarHBondContact O-CD2 3.5Å; G737-F741 PolarHBondContact O-N 3.4Å
738	V	97.5	Very high	94.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.4	-46.2	179.2	172.9	0	0	0	0	110.2	V734 E735 G740 F741 M742 L757 L829 I830 V833	V734-V738 HydrophobicContact CG1-CG2 4.05Å; V734-V738 WeakPolarHBondContact O-CB 3.43Å; V734-V738 VanDerWaalsContact O-CG2 3.27Å; V734-V738 WeakPolarHBondContact O-CG2 3.41Å; V734-V738 PolarHBondContact O-N 3.34Å; E735-V738 PolarHBondContact O-N 3.05Å; V738-G740 VanDerWaalsContact C-N 3.35Å; V738-G740 PolarHBondContact O-N 2.88Å; V738-F741 PolarHBondContact O-N 3.5Å; V738-M742 HydrophobicContact CG1-CG 4.24Å; V738-M742 HydrophobicContact CG1-SD 3.73Å; V738-M742 VanDerWaalsContact O-CB 3.25Å; V738-M742 WeakPolarHBondContact O-CB 3.37Å; V738-M742 WeakPolarHBondContact O-CG 3.3Å; V738-M742 PolarHBondContact O-N 3.29Å; V738-L757 HydrophobicContact CB-CD2 4.24Å; V738-L757 HydrophobicContact CG1-CD2 3.62Å; V738-L829 HydrophobicContact CG1-CB 4.39Å; V738-I830 HydrophobicContact CG1-CG1 3.79Å; V738-I830 HydrophobicContact CG2-CG1 4Å; V738-V833 HydrophobicContact CG2-CB 4.19Å; V738-V833 HydrophobicContact CG2-CG1 4.47Å; V738-V833 HydrophobicContact CG2-CG2 4.27Å
739	I	95.2	Very high	94.3	Very high	26 Å²	26	39 Å²	39	13%	0.133	19%	0.19	C	C	.	.	H	α-helix	trans	-59.8	-45.2	175.7	-67.2	168.2	0	0	0	111.2	Y519 V522 E735 G737 T743 L757	Y519-I739 HydrophobicContact CD2-CB 4.34Å; Y519-I739 HydrophobicContact CD2-CG2 3.74Å; Y519-I739 HydrophobicContact CE2-CG2 4.14Å; V522-I739 HydrophobicContact CG2-CG2 3.57Å; E735-I739 VanDerWaalsContact O-CG1 3.29Å; E735-I739 WeakPolarHBondContact O-CG1 3.46Å; E735-I739 PolarHBondContact O-N 2.92Å; G737-I739 VanDerWaalsContact C-N 3.33Å; G737-I739 PolarHBondContact O-N 2.77Å; I739-T743 PolarHBondContact O-N 2.74Å; I739-T743 PolarHBondContact O-OG1 3.47Å; I739-T743 VanDerWaalsContact O-OG1 3.05Å; I739-L757 HydrophobicContact CD1-CD1 4.35Å; I739-L757 HydrophobicContact CG1-CD1 3.88Å; I739-L757 HydrophobicContact CG1-CD2 3.82Å
740	G	96.6	Very high	94.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.2	-53.4	176.9	0	0	0	0	0	112.6	A515 G518 F736 G737 V738 M742 T743 L744	A515-G740 WeakPolarHBondContact O-CA 3.12Å; G518-G740 WeakPolarHBondContact CA-O 3.49Å; F736-G740 PolarHBondContact O-N 3Å; G737-G740 PolarHBondContact O-N 3.37Å; V738-G740 VanDerWaalsContact C-N 3.35Å; V738-G740 PolarHBondContact O-N 2.88Å; G740-M742 VanDerWaalsContact C-N 3.34Å; G740-M742 PolarHBondContact O-N 3.05Å; G740-T743 WeakPolarHBondContact O-CB 3.02Å; G740-T743 PolarHBondContact O-N 2.93Å; G740-L744 WeakPolarHBondContact O-CG 3.29Å; G740-L744 PolarHBondContact O-N 2.75Å; G740-L744 VanDerWaalsContact O-N 3.11Å
741	F	98	Very high	93.8	Very high	51 Å²	51	34.6 Å²	34.6	22%	0.224	17%	0.166	C	C	.	.	H	α-helix	trans	-69	-29.4	-179.1	-72	-67.4	0	0	0	113.4	Y511 F514 A515 G737 V738 T743 L744 W745 L829	Y511-F741 AromaticContact CD2-CE2 3.49Å; Y511-F741 HydrophobicContact CD2-CE2 3.49Å; Y511-F741 VanDerWaalsContact CD2-CE2 3.49Å; Y511-F741 HydrophobicContact CD2-CZ 4.05Å; Y511-F741 HydrophobicContact CE2-CD2 4.26Å; Y511-F741 AromaticContact CE2-CE2 3.55Å; Y511-F741 HydrophobicContact CE2-CE2 3.55Å; F514-F741 HydrophobicContact CB-CE1 3.83Å; F514-F741 HydrophobicContact CB-CZ 3.84Å; A515-F741 HydrophobicContact CB-CE2 4.49Å; G737-F741 WeakPolarHBondContact O-CD2 3.5Å; G737-F741 PolarHBondContact O-N 3.4Å; V738-F741 PolarHBondContact O-N 3.5Å; F741-T743 VanDerWaalsContact C-N 3.32Å; F741-L744 HydrophobicContact CD1-CD1 4.1Å; F741-L744 HydrophobicContact CE1-CD1 4.34Å; F741-L744 PolarHBondContact O-N 3.15Å; F741-W745 VanDerWaalsContact O-CB 3.25Å; F741-W745 WeakPolarHBondContact O-CB 3.26Å; F741-W745 PolarHBondContact O-N 3.41Å; F741-L829 HydrophobicContact CB-CD1 3.89Å; F741-L829 HydrophobicContact CB-CD2 3.8Å; F741-L829 HydrophobicContact CB-CG 4.47Å
742	M	95.8	Very high	93.8	Very high	4 Å²	4	34 Å²	34	2%	0.02	16%	0.163	C	C	.	.	H	α-helix	trans	-57	-49.1	170.6	-83.7	170	44.7	0	0	110.5	V738 G740 W745 K746 V747 S753 L757 C826 L829	V738-M742 HydrophobicContact CG1-CG 4.24Å; V738-M742 HydrophobicContact CG1-SD 3.73Å; V738-M742 VanDerWaalsContact O-CB 3.25Å; V738-M742 WeakPolarHBondContact O-CB 3.37Å; V738-M742 WeakPolarHBondContact O-CG 3.3Å; V738-M742 PolarHBondContact O-N 3.29Å; G740-M742 VanDerWaalsContact C-N 3.34Å; G740-M742 PolarHBondContact O-N 3.05Å; M742-W745 CarbonylContact O-C 3.55Å; M742-W745 VanDerWaalsContact O-C 3.29Å; M742-W745 WeakPolarHBondContact O-CA 3.35Å; M742-W745 PolarHBondContact O-N 3.36Å; M742-W745 VanDerWaalsContact O-N 3.08Å; M742-K746 PolarHBondContact O-N 3Å; M742-V747 HydrophobicContact CB-CB 4.12Å; M742-V747 HydrophobicContact CE-CG1 4.14Å; M742-V747 HydrophobicContact CG-CB 4.49Å; M742-V747 WeakPolarHBondContact O-CB 3.5Å; M742-V747 PolarHBondContact O-N 3.41Å; M742-S753 VanDerWaalsContact CE-CB 3.49Å; M742-L757 HydrophobicContact CE-CD1 4.31Å; M742-L757 HydrophobicContact SD-CD1 4.46Å; M742-L757 HydrophobicContact SD-CD2 3.96Å; M742-L757 HydrophobicContact SD-CG 4.28Å; M742-C826 HydrophobicContact SD-CB 4.43Å; M742-C826 VanDerWaalsContact SD-SG 3.62Å; M742-L829 HydrophobicContact CB-CD1 4.41Å; M742-L829 HydrophobicContact CG-CD1 3.8Å
743	T	94.3	Very high	93.7	Very high	21 Å²	21	30 Å²	30	13%	0.129	14%	0.138	C	C	.	.	H	α-helix	trans	-62.1	-47.1	179.1	-54	0	0	0	0	111.3	G518 Q521 V522 I739 G740 F741 W745 K746	G518-T743 WeakPolarHBondContact O-CB 3.43Å; G518-T743 WeakPolarHBondContact O-CG2 3.45Å; G518-T743 PolarHBondContact O-OG1 3.42Å; Q521-T743 VanDerWaalsContact C-CG2 3.48Å; Q521-T743 HydrophobicContact CB-CG2 3.79Å; Q521-T743 VanDerWaalsContact O-CG2 3.22Å; Q521-T743 WeakPolarHBondContact O-CG2 3.31Å; V522-T743 WeakPolarHBondContact CG2-OG1 3.36Å; I739-T743 PolarHBondContact O-N 2.74Å; I739-T743 PolarHBondContact O-OG1 3.47Å; I739-T743 VanDerWaalsContact O-OG1 3.05Å; G740-T743 WeakPolarHBondContact O-CB 3.02Å; G740-T743 PolarHBondContact O-N 2.93Å; F741-T743 VanDerWaalsContact C-N 3.32Å; T743-W745 PolarHBondContact O-N 3.49Å; T743-K746 PolarHBondContact O-N 3.39Å
744	L	95.9	Very high	93.6	Very high	60 Å²	60	29.6 Å²	29.6	31%	0.314	14%	0.135	S	C	.	.	H	α-helix	trans	-61.7	-28.1	175.8	-60.3	-178.8	0	0	0	112.5	F514 M517 G740 F741 K746	F514-L744 HydrophobicContact CB-CD1 4.32Å; F514-L744 HydrophobicContact CD1-CD1 4.38Å; M517-L744 HydrophobicContact CE-CD1 3.93Å; M517-L744 HydrophobicContact CE-CD2 3.42Å; M517-L744 VanDerWaalsContact CE-CD2 3.42Å; M517-L744 HydrophobicContact CE-CG 4.33Å; G740-L744 WeakPolarHBondContact O-CG 3.29Å; G740-L744 PolarHBondContact O-N 2.75Å; G740-L744 VanDerWaalsContact O-N 3.11Å; F741-L744 HydrophobicContact CD1-CD1 4.1Å; F741-L744 HydrophobicContact CE1-CD1 4.34Å; F741-L744 PolarHBondContact O-N 3.15Å; L744-K746 VanDerWaalsContact C-N 3.28Å; L744-K746 PolarHBondContact O-N 2.87Å
745	W	95.1	Very high	93.4	Very high	95 Å²	95	29.8 Å²	29.8	36%	0.36	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	19	175.2	-150.7	-1.3	0	0	0	113.6	F741 M742 T743 V747 F824 R825 F828 L829	F741-W745 VanDerWaalsContact O-CB 3.25Å; F741-W745 WeakPolarHBondContact O-CB 3.26Å; F741-W745 PolarHBondContact O-N 3.41Å; M742-W745 CarbonylContact O-C 3.55Å; M742-W745 VanDerWaalsContact O-C 3.29Å; M742-W745 WeakPolarHBondContact O-CA 3.35Å; M742-W745 PolarHBondContact O-N 3.36Å; M742-W745 VanDerWaalsContact O-N 3.08Å; T743-W745 PolarHBondContact O-N 3.49Å; W745-V747 VanDerWaalsContact C-N 3.3Å; W745-V747 PolarHBondContact O-N 2.82Å; W745-F824 HydrophobicContact CH2-CE1 4.05Å; W745-F824 HydrophobicContact CZ2-CE1 4.38Å; W745-R825 HydrophobicContact CD2-CB 4.27Å; W745-R825 HydrophobicContact CD2-CG 3.84Å; W745-R825 HydrophobicContact CE3-CB 3.87Å; W745-R825 HydrophobicContact CE3-CG 3.88Å; W745-R825 HydrophobicContact CG-CG 4.44Å; W745-R825 HydrophobicContact CH2-CG 4.2Å; W745-R825 HydrophobicContact CZ2-CG 4.16Å; W745-R825 HydrophobicContact CZ3-CB 4.08Å; W745-R825 HydrophobicContact CZ3-CG 4.05Å; W745-R825 PolarHBondContact O-NH1 2.69Å; W745-F828 HydrophobicContact CH2-CD1 4.01Å; W745-F828 HydrophobicContact CH2-CE1 4.44Å; W745-F828 AromaticContact CZ3-CD1 3.92Å; W745-F828 HydrophobicContact CZ3-CD1 3.92Å; W745-L829 HydrophobicContact CE3-CD1 3.9Å; W745-L829 HydrophobicContact CE3-CD2 4.03Å; W745-L829 HydrophobicContact CE3-CG 3.83Å; W745-L829 HydrophobicContact CZ3-CD1 4.48Å; W745-L829 HydrophobicContact CZ3-CD2 4.12Å; W745-L829 HydrophobicContact CZ3-CG 3.92Å
746	K	92.7	Very high	93.5	Very high	185 Å²	185	29.4 Å²	29.4	80%	0.804	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	43.8	177.6	-56.3	-177.1	177.4	-175.4	0	112.6	M742 T743 L744 R825	M742-K746 PolarHBondContact O-N 3Å; T743-K746 PolarHBondContact O-N 3.39Å; L744-K746 VanDerWaalsContact C-N 3.28Å; L744-K746 PolarHBondContact O-N 2.87Å; K746-R825 PolarHBondContact O-NH1 3.42Å
747	V	92.1	Very high	93.5	Very high	5 Å²	5	26.9 Å²	26.9	3%	0.03	12%	0.124	C	C	.	.			trans	-109.8	117.4	170.1	-179.4	0	0	0	0	107.8	M742 W745 T822 R825	M742-V747 HydrophobicContact CB-CB 4.12Å; M742-V747 HydrophobicContact CE-CG1 4.14Å; M742-V747 HydrophobicContact CG-CB 4.49Å; M742-V747 WeakPolarHBondContact O-CB 3.5Å; M742-V747 PolarHBondContact O-N 3.41Å; W745-V747 VanDerWaalsContact C-N 3.3Å; W745-V747 PolarHBondContact O-N 2.82Å; V747-T822 HydrophobicContact CG1-CG2 3.82Å; V747-R825 HydrophobicContact CG2-CB 3.84Å; V747-R825 HydrophobicContact CG2-CG 4.28Å
748	E	88.9	Confident	93.3	Very high	62 Å²	62	26.9 Å²	26.9	29%	0.29	12%	0.124	S	C	.	.			trans	-78.4	157.8	177.1	-52.5	-175.5	146.7	0	0	110.5	G525 N530 D750 S753	G525-E748 WeakPolarHBondContact CA-OE2 3.48Å; N530-E748 PolarHBondContact ND2-OE2 3.16Å; E748-D750 PolarHBondContact O-N 3.36Å; E748-D750 VanDerWaalsContact O-N 3.09Å; E748-S753 PolarHBondContact O-OG 2.98Å
749	L	87.8	Confident	93.2	Very high	33 Å²	33	26.9 Å²	26.9	17%	0.173	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-75	99.5	172	-166.5	66.7	0	0	0	108.5	V522 S523 G525 L696 S753 V754 L757	V522-L749 HydrophobicContact CG1-CB 4.26Å; V522-L749 HydrophobicContact CG1-CD2 4.49Å; S523-L749 PolarHBondContact O-N 3.04Å; G525-L749 PolarHBondContact N-O 3.08Å; L696-L749 VanDerWaalsContact CD2-C 3.49Å; L696-L749 HydrophobicContact CD2-CG 4.21Å; L696-L749 WeakPolarHBondContact CD2-O 3.33Å; L749-S753 WeakPolarHBondContact CA-OG 3.38Å; L749-V754 HydrophobicContact CD1-CG2 3.73Å; L749-V754 HydrophobicContact CG-CG2 4.12Å; L749-L757 HydrophobicContact CD1-CD1 3.9Å
750	D	87.7	Confident	93.3	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.021	12%	0.118	C	C	.	.			trans	-125.7	-177.6	-179.5	75.9	10.2	0	0	0	110.5	G525 L696 E748 I752 S753 V754	G525-D750 VanDerWaalsContact O-CB 3.31Å; G525-D750 WeakPolarHBondContact O-CB 3.39Å; L696-D750 VanDerWaalsContact CD2-CA 3.45Å; E748-D750 PolarHBondContact O-N 3.36Å; E748-D750 VanDerWaalsContact O-N 3.09Å; D750-I752 PolarHBondContact O-N 2.87Å; D750-I752 WeakPolarHBondContact OD1-CA 3.37Å; D750-I752 WeakPolarHBondContact OD1-CB 3.22Å; D750-I752 PolarHBondContact OD1-N 3.01Å; D750-S753 PolarHBondContact N-OG 3.03Å; D750-S753 PolarHBondContact O-N 3.23Å; D750-S753 PolarHBondContact O-OG 2.78Å; D750-S753 PolarHBondContact OD1-N 2.95Å; D750-S753 PolarHBondContact OD1-OG 3.39Å; D750-V754 PolarHBondContact O-N 3.02Å
751	C	87.9	Confident	93.2	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.014	12%	0.118	C	C	.	.	H	α-helix	trans	-64.7	-32.3	-175	-178.2	0	0	0	0	111.5	L56 L696 L755	L56-C751 HydrophobicContact CD2-CB 4.26Å; L696-C751 VanDerWaalsContact CD1-CA 3.44Å; L696-C751 HydrophobicContact CD1-CB 3.88Å; C751-L755 WeakPolarHBondContact O-CD1 3.49Å; C751-L755 WeakPolarHBondContact O-CG 3.42Å; C751-L755 PolarHBondContact O-N 2.92Å
752	I	91.2	Very high	93	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.021	11%	0.107	C	C	.	.	H	α-helix	trans	-75.9	-45.4	-176.7	-55.9	-59.7	0	0	0	109.6	T328 D750 V754 L755 C756 L819 T822 L823	T328-I752 HydrophobicContact CG2-CD1 3.67Å; D750-I752 PolarHBondContact O-N 2.87Å; D750-I752 WeakPolarHBondContact OD1-CA 3.37Å; D750-I752 WeakPolarHBondContact OD1-CB 3.22Å; D750-I752 PolarHBondContact OD1-N 3.01Å; I752-V754 PolarHBondContact O-N 3.13Å; I752-L755 PolarHBondContact O-N 3.37Å; I752-C756 PolarHBondContact O-N 3.37Å; I752-C756 PolarHBondContact O-SG 3.3Å; I752-L819 HydrophobicContact CD1-CD1 4.02Å; I752-L819 HydrophobicContact CD1-CG 4.13Å; I752-L819 HydrophobicContact CG1-CD1 4.41Å; I752-L819 HydrophobicContact CG1-CG 4.15Å; I752-T822 HydrophobicContact CB-CG2 4.12Å; I752-T822 HydrophobicContact CG2-CG2 4Å; I752-L823 HydrophobicContact CG2-CD2 3.45Å; I752-L823 VanDerWaalsContact CG2-CD2 3.45Å; I752-L823 HydrophobicContact CG2-CG 3.63Å
753	S	92.7	Very high	93	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-67.8	-35.8	-179.1	69.9	0	0	0	0	112.2	M742 E748 L749 D750 L755 C756 L757	M742-S753 VanDerWaalsContact CE-CB 3.49Å; E748-S753 PolarHBondContact O-OG 2.98Å; L749-S753 WeakPolarHBondContact CA-OG 3.38Å; D750-S753 PolarHBondContact N-OG 3.03Å; D750-S753 PolarHBondContact O-N 3.23Å; D750-S753 PolarHBondContact O-OG 2.78Å; D750-S753 PolarHBondContact OD1-N 2.95Å; D750-S753 PolarHBondContact OD1-OG 3.39Å; S753-L755 PolarHBondContact O-N 3.21Å; S753-C756 WeakPolarHBondContact O-CB 3.39Å; S753-C756 PolarHBondContact O-N 3.11Å; S753-L757 WeakPolarHBondContact O-CG 3.32Å; S753-L757 PolarHBondContact O-N 2.99Å
754	V	92.7	Very high	93	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.012	10%	0.101	C	C	.	.	H	α-helix	trans	-60.1	-41.9	169.7	162.5	0	0	0	0	112.6	L696 P699 L700 L749 D750 I752 C756 L757 I758	L696-V754 HydrophobicContact CD2-CG2 4.26Å; L696-V754 HydrophobicContact CG-CG2 3.92Å; P699-V754 HydrophobicContact CG-CG1 4.15Å; L700-V754 HydrophobicContact CB-CG1 4.09Å; L749-V754 HydrophobicContact CD1-CG2 3.73Å; L749-V754 HydrophobicContact CG-CG2 4.12Å; D750-V754 PolarHBondContact O-N 3.02Å; I752-V754 PolarHBondContact O-N 3.13Å; V754-C756 VanDerWaalsContact C-N 3.3Å; V754-C756 PolarHBondContact O-N 2.94Å; V754-L757 PolarHBondContact O-N 2.95Å; V754-I758 HydrophobicContact CG1-CD1 4.16Å; V754-I758 WeakPolarHBondContact O-CG1 3.34Å; V754-I758 PolarHBondContact O-N 3.41Å
755	L	92.5	Very high	92.9	Very high	5 Å²	5	19.6 Å²	19.6	3%	0.026	9%	0.087	C	C	.	.	H	α-helix	trans	-64.9	-37.2	177.2	-67.5	167.5	0	0	0	111.8	A399 F402 C751 I752 S753 Y759	A399-L755 HydrophobicContact CB-CD2 3.88Å; F402-L755 HydrophobicContact CB-CD1 3.9Å; F402-L755 HydrophobicContact CB-CD2 4.07Å; F402-L755 HydrophobicContact CD1-CB 4.17Å; F402-L755 HydrophobicContact CD1-CD1 4.07Å; F402-L755 HydrophobicContact CD1-CD2 3.57Å; F402-L755 HydrophobicContact CD1-CG 4.13Å; F402-L755 HydrophobicContact CD2-CD1 4.02Å; F402-L755 HydrophobicContact CE1-CB 4.09Å; F402-L755 HydrophobicContact CE1-CD2 4.27Å; F402-L755 HydrophobicContact CG-CD1 3.73Å; F402-L755 HydrophobicContact CG-CD2 3.97Å; F402-L755 HydrophobicContact CG-CG 4.3Å; F402-L755 HydrophobicContact CZ-CB 4.45Å; C751-L755 WeakPolarHBondContact O-CD1 3.49Å; C751-L755 WeakPolarHBondContact O-CG 3.42Å; C751-L755 PolarHBondContact O-N 2.92Å; I752-L755 PolarHBondContact O-N 3.37Å; S753-L755 PolarHBondContact O-N 3.21Å; L755-Y759 PolarHBondContact O-N 2.9Å
756	C	95.5	Very high	92.7	Very high	5 Å²	5	15.1 Å²	15.1	3%	0.034	7%	0.07	C	C	.	.	H	α-helix	trans	-63.5	-41.9	171.6	-67.1	0	0	0	0	112.1	I752 S753 V754 Y759 G760 C826 L827 I830	I752-C756 PolarHBondContact O-N 3.37Å; I752-C756 PolarHBondContact O-SG 3.3Å; S753-C756 WeakPolarHBondContact O-CB 3.39Å; S753-C756 PolarHBondContact O-N 3.11Å; V754-C756 VanDerWaalsContact C-N 3.3Å; V754-C756 PolarHBondContact O-N 2.94Å; C756-Y759 CarbonylContact O-C 3.57Å; C756-Y759 WeakPolarHBondContact O-CB 3.28Å; C756-Y759 PolarHBondContact O-N 3.5Å; C756-G760 PolarHBondContact O-N 3.34Å; C756-C826 HydrophobicContact CB-CB 3.46Å; C756-C826 VanDerWaalsContact CB-CB 3.46Å; C756-L827 HydrophobicContact CB-CD2 4.17Å; C756-I830 HydrophobicContact CB-CD1 4.07Å; C756-I830 WeakPolarHBondContact O-CD1 3.34Å
757	L	95.3	Very high	92.7	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-64.5	-42.1	178.4	-68.7	168.7	0	0	0	112.2	L700 V738 I739 M742 L749 S753 V754 Y759 G760 I761	L700-L757 HydrophobicContact CD1-CB 3.64Å; L700-L757 HydrophobicContact CD2-CB 4.18Å; L700-L757 HydrophobicContact CD2-CD1 3.74Å; V738-L757 HydrophobicContact CB-CD2 4.24Å; V738-L757 HydrophobicContact CG1-CD2 3.62Å; I739-L757 HydrophobicContact CD1-CD1 4.35Å; I739-L757 HydrophobicContact CG1-CD1 3.88Å; I739-L757 HydrophobicContact CG1-CD2 3.82Å; M742-L757 HydrophobicContact CE-CD1 4.31Å; M742-L757 HydrophobicContact SD-CD1 4.46Å; M742-L757 HydrophobicContact SD-CD2 3.96Å; M742-L757 HydrophobicContact SD-CG 4.28Å; L749-L757 HydrophobicContact CD1-CD1 3.9Å; S753-L757 WeakPolarHBondContact O-CG 3.32Å; S753-L757 PolarHBondContact O-N 2.99Å; V754-L757 PolarHBondContact O-N 2.95Å; L757-Y759 PolarHBondContact O-N 2.96Å; L757-G760 WeakPolarHBondContact O-CA 3.45Å; L757-G760 PolarHBondContact O-N 2.85Å; L757-I761 PolarHBondContact O-N 2.88Å
758	I	94.4	Very high	92.7	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-57.6	-40.4	173.3	-65.5	169.5	0	0	0	111.1	F386 P699 L700 V754 N762	F386-I758 HydrophobicContact CD1-CG2 3.89Å; F386-I758 HydrophobicContact CE1-CG2 3.76Å; P699-I758 HydrophobicContact CB-CD1 4.01Å; L700-I758 HydrophobicContact CD1-CG1 4.2Å; V754-I758 HydrophobicContact CG1-CD1 4.16Å; V754-I758 WeakPolarHBondContact O-CG1 3.34Å; V754-I758 PolarHBondContact O-N 3.41Å; I758-N762 PolarHBondContact O-ND2 2.91Å
759	Y	95.6	Very high	92.7	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-65.9	-40.1	172.4	166.9	-109.8	0	0	0	112.4	V335 G338 Y382 L755 C756 L757 I761 N762 Y763 Y805 L827 I830	V335-Y759 HydrophobicContact CB-CD2 4.11Å; V335-Y759 HydrophobicContact CB-CE2 4.28Å; V335-Y759 HydrophobicContact CG1-CD2 3.69Å; V335-Y759 HydrophobicContact CG1-CE2 4.03Å; V335-Y759 HydrophobicContact CG2-CD2 3.93Å; V335-Y759 HydrophobicContact CG2-CE2 4.44Å; V335-Y759 HydrophobicContact CG2-CG 4Å; G338-Y759 WeakPolarHBondContact CA-OH 3.05Å; Y382-Y759 HydrophobicContact CE1-CD2 4.05Å; Y382-Y759 HydrophobicContact CE1-CE2 4.22Å; L755-Y759 PolarHBondContact O-N 2.9Å; C756-Y759 CarbonylContact O-C 3.57Å; C756-Y759 WeakPolarHBondContact O-CB 3.28Å; C756-Y759 PolarHBondContact O-N 3.5Å; L757-Y759 PolarHBondContact O-N 2.96Å; Y759-I761 VanDerWaalsContact C-N 3.31Å; Y759-I761 PolarHBondContact O-N 3.28Å; Y759-N762 PolarHBondContact O-N 3.05Å; Y759-Y763 HydrophobicContact CE1-CD2 4.21Å; Y759-Y763 HydrophobicContact CE1-CG 4.27Å; Y759-Y763 HydrophobicContact CE2-CD2 4.29Å; Y759-Y763 AromaticContact CZ-CD2 3.62Å; Y759-Y763 PolarHBondContact O-N 3.42Å; Y759-Y763 WeakPolarHBondContact OH-CD2 3.48Å; Y759-Y805 VanDerWaalsContact CE1-OH 3.23Å; Y759-Y805 WeakPolarHBondContact CE1-OH 3.33Å; Y759-Y805 WeakPolarHBondContact OH-CE2 3.27Å; Y759-Y805 PolarHBondContact OH-OH 3.48Å; Y759-L827 HydrophobicContact CD1-CD2 3.49Å; Y759-L827 VanDerWaalsContact CD1-CD2 3.49Å; Y759-L827 HydrophobicContact CE1-CD2 3.74Å; Y759-I830 HydrophobicContact CD1-CD1 4.44Å
760	G	95.8	Very high	92.7	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-55.9	-40.4	-179.8	0	0	0	0	0	114.2	C756 L757 N762 Y763 T764	C756-G760 PolarHBondContact O-N 3.34Å; L757-G760 WeakPolarHBondContact O-CA 3.45Å; L757-G760 PolarHBondContact O-N 2.85Å; G760-N762 VanDerWaalsContact C-N 3.32Å; G760-N762 PolarHBondContact O-N 3.08Å; G760-Y763 PolarHBondContact O-N 3.13Å; G760-T764 WeakPolarHBondContact O-CB 3.45Å; G760-T764 PolarHBondContact O-N 3.33Å; G760-T764 PolarHBondContact O-OG1 3.04Å
761	I	94.5	Very high	92.6	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-52.1	-53.1	172.5	-62.7	169	0	0	0	110.2	L700 C704 A707 V731 E735 L757 Y759 T764 I765	L700-I761 HydrophobicContact CD1-CD1 4.29Å; C704-I761 VanDerWaalsContact SG-CD1 3.53Å; A707-I761 HydrophobicContact CB-CG2 3.78Å; V731-I761 HydrophobicContact CG1-CB 4.48Å; V731-I761 HydrophobicContact CG1-CG1 4.47Å; V731-I761 HydrophobicContact CG1-CG2 4.04Å; E735-I761 HydrophobicContact CG-CG1 4.02Å; E735-I761 WeakPolarHBondContact OE1-CG1 3.18Å; E735-I761 PolarHBondContact OE1-N 3.05Å; L757-I761 PolarHBondContact O-N 2.88Å; Y759-I761 VanDerWaalsContact C-N 3.31Å; Y759-I761 PolarHBondContact O-N 3.28Å; I761-T764 PolarHBondContact O-N 2.99Å; I761-I765 HydrophobicContact CG2-CD1 4.15Å; I761-I765 WeakPolarHBondContact O-CG1 3.31Å; I761-I765 PolarHBondContact O-N 2.73Å
762	N	94.3	Very high	92.6	Very high	1 Å²	1	2.3 Å²	2.3	1%	0.005	1%	0.014	C	C	.	.	H	α-helix	trans	-75.3	-38.4	-174.2	-64.2	-72.8	0	0	0	112.5	M381 Y382 T385 I758 Y759 G760 T764 I765 D766	M381-N762 PolarHBondContact O-OD1 3.34Å; Y382-N762 HydrophobicContact CD1-CB 3.47Å; Y382-N762 VanDerWaalsContact CD1-CB 3.47Å; Y382-N762 HydrophobicContact CD2-CB 3.88Å; Y382-N762 HydrophobicContact CE1-CB 3.23Å; Y382-N762 HydrophobicContact CE2-CB 3.6Å; Y382-N762 HydrophobicContact CG-CB 3.83Å; Y382-N762 PolarHBondContact N-OD1 3.49Å; T385-N762 VanDerWaalsContact OG1-CG 3.3Å; T385-N762 PolarHBondContact OG1-ND2 3.17Å; T385-N762 PolarHBondContact OG1-OD1 3.39Å; I758-N762 PolarHBondContact O-ND2 2.91Å; Y759-N762 PolarHBondContact O-N 3.05Å; G760-N762 VanDerWaalsContact C-N 3.32Å; G760-N762 PolarHBondContact O-N 3.08Å; N762-T764 VanDerWaalsContact C-N 3.26Å; N762-T764 PolarHBondContact O-N 3.35Å; N762-I765 PolarHBondContact O-N 3.35Å; N762-I765 VanDerWaalsContact O-N 3.12Å; N762-D766 PolarHBondContact O-N 2.77Å
763	Y	96	Very high	92.3	Very high	4 Å²	4	3.6 Å²	3.6	2%	0.016	2%	0.024	C	C	.	.	H	α-helix	trans	-60.4	-38.7	174.7	-174.3	-95.4	0	0	0	111.4	Y382 Y759 G760 D766 N767 I830 A831 T834	Y382-Y763 PolarHBondContact OH-N 3.48Å; Y759-Y763 HydrophobicContact CE1-CD2 4.21Å; Y759-Y763 HydrophobicContact CE1-CG 4.27Å; Y759-Y763 HydrophobicContact CE2-CD2 4.29Å; Y759-Y763 AromaticContact CZ-CD2 3.62Å; Y759-Y763 PolarHBondContact O-N 3.42Å; Y759-Y763 WeakPolarHBondContact OH-CD2 3.48Å; G760-Y763 PolarHBondContact O-N 3.13Å; Y763-D766 PolarHBondContact O-N 3.35Å; Y763-N767 WeakPolarHBondContact CE1-ND2 3.46Å; Y763-N767 PolarHBondContact O-N 3.46Å; Y763-N767 PolarHBondContact O-ND2 3.2Å; Y763-I830 HydrophobicContact CD1-CG2 3.77Å; Y763-I830 HydrophobicContact CG-CG2 4.15Å; Y763-A831 HydrophobicContact CE1-CB 4.31Å; Y763-T834 HydrophobicContact CD1-CG2 3.91Å; Y763-T834 HydrophobicContact CE1-CG2 3.91Å
764	T	95.4	Very high	92	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-63	-44.1	173.9	-56	0	0	0	0	111.4	T730 V731 V734 G760 I761 N762 N767 C768 T834	T730-T764 HydrophobicContact CG2-CG2 4.07Å; V731-T764 HydrophobicContact CG2-CG2 3.94Å; V734-T764 HydrophobicContact CB-CG2 4.23Å; V734-T764 WeakPolarHBondContact CG1-OG1 3.33Å; V734-T764 HydrophobicContact CG2-CG2 3.83Å; G760-T764 WeakPolarHBondContact O-CB 3.45Å; G760-T764 PolarHBondContact O-N 3.33Å; G760-T764 PolarHBondContact O-OG1 3.04Å; I761-T764 PolarHBondContact O-N 2.99Å; N762-T764 VanDerWaalsContact C-N 3.26Å; N762-T764 PolarHBondContact O-N 3.35Å; T764-N767 PolarHBondContact O-N 3.47Å; T764-C768 WeakPolarHBondContact O-CB 2.88Å; T764-C768 PolarHBondContact O-N 3.28Å; T764-T834 PolarHBondContact OG1-OG1 3.01Å
765	I	91.9	Very high	91.6	Very high	4 Å²	4	6.5 Å²	6.5	2%	0.021	4%	0.039	C	C	.	.	H	α-helix	trans	-63.4	-43.3	178.9	-67.8	167.8	0	0	0	111.4	T378 M381 I727 V731 I761 N762 N767 C768 A769	T378-I765 HydrophobicContact CG2-CG2 4.27Å; M381-I765 HydrophobicContact CG-CG2 4.37Å; I727-I765 HydrophobicContact CG2-CG1 3.94Å; V731-I765 HydrophobicContact CG2-CD1 4.32Å; V731-I765 HydrophobicContact CG2-CG1 3.73Å; I761-I765 HydrophobicContact CG2-CD1 4.15Å; I761-I765 WeakPolarHBondContact O-CG1 3.31Å; I761-I765 PolarHBondContact O-N 2.73Å; N762-I765 PolarHBondContact O-N 3.35Å; N762-I765 VanDerWaalsContact O-N 3.12Å; I765-N767 VanDerWaalsContact C-N 3.26Å; I765-N767 PolarHBondContact O-N 3.28Å; I765-C768 PolarHBondContact O-N 3.26Å; I765-A769 HydrophobicContact CG2-CB 4.07Å; I765-A769 WeakPolarHBondContact O-CB 3.18Å; I765-A769 PolarHBondContact O-N 3.38Å
766	D	91.8	Very high	91	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.005	5%	0.047	C	C	.	.	H	α-helix	trans	-52.7	-45	177.9	-87.6	-20.8	0	0	0	112	H339 Y342 T378 Y382 N762 Y763 P770	H339-D766 IonicContact ND1-OD2 2.83Å; Y342-D766 HydrophobicContact CD1-CB 4.07Å; Y342-D766 HydrophobicContact CE1-CB 4.46Å; Y342-D766 WeakPolarHBondContact CE2-O 3.29Å; Y342-D766 HydrophobicContact CG-CB 4.25Å; T378-D766 WeakPolarHBondContact CB-OD1 3.49Å; T378-D766 PolarHBondContact OG1-OD1 3.02Å; Y382-D766 WeakPolarHBondContact CE2-OD2 3.43Å; Y382-D766 VanDerWaalsContact CZ-OD2 3.27Å; Y382-D766 PolarHBondContact OH-OD2 2.97Å; N762-D766 PolarHBondContact O-N 2.77Å; Y763-D766 PolarHBondContact O-N 3.35Å; D766-P770 VanDerWaalsContact O-CD 3.31Å; D766-P770 WeakPolarHBondContact O-CD 3.42Å; D766-P770 WeakPolarHBondContact O-CG 3.31Å
767	N	92.5	Very high	90.2	Very high	4 Å²	4	12.1 Å²	12.1	2%	0.021	7%	0.069	C	C	.	.	H	α-helix	trans	-84.5	-39.2	-174.2	-65.1	-73.8	0	0	0	112.2	Y763 T764 I765 I798 T834	Y763-N767 WeakPolarHBondContact CE1-ND2 3.46Å; Y763-N767 PolarHBondContact O-N 3.46Å; Y763-N767 PolarHBondContact O-ND2 3.2Å; T764-N767 PolarHBondContact O-N 3.47Å; I765-N767 VanDerWaalsContact C-N 3.26Å; I765-N767 PolarHBondContact O-N 3.28Å; N767-I798 HydrophobicContact CB-CG2 4.22Å; N767-I798 VanDerWaalsContact O-CD1 3.26Å; N767-I798 WeakPolarHBondContact O-CD1 3.44Å; N767-I798 WeakPolarHBondContact OD1-CG2 3.39Å; N767-T834 HydrophobicContact CB-CG2 4.02Å
768	C	92.1	Very high	89.2	Confident	1 Å²	1	13.1 Å²	13.1	1%	0.007	8%	0.079	C	C	.	.	H	α-helix	trans	-90.4	-32.7	-172.1	-63.2	0	0	0	0	114.4	T730 T764 I765 M771 L772 L842	T730-C768 HydrophobicContact CG2-CB 4.39Å; T764-C768 WeakPolarHBondContact O-CB 2.88Å; T764-C768 PolarHBondContact O-N 3.28Å; I765-C768 PolarHBondContact O-N 3.26Å; C768-M771 PolarHBondContact O-N 3.04Å; C768-L772 WeakPolarHBondContact O-CB 3.25Å; C768-L772 PolarHBondContact O-N 2.83Å; C768-L842 HydrophobicContact CB-CD2 4.18Å
769	A	88.9	Confident	88.2	Confident	11 Å²	11	19.4 Å²	19.4	9%	0.091	11%	0.106	C	C	.	.	H	α-helix	trans	-64.8	-45.4	-173	0	0	0	0	0	114.4	I727 I765 M771 L772 S773	I727-A769 HydrophobicContact CD1-CB 3.49Å; I727-A769 VanDerWaalsContact CD1-CB 3.49Å; I727-A769 HydrophobicContact CG1-CB 4.18Å; I765-A769 HydrophobicContact CG2-CB 4.07Å; I765-A769 WeakPolarHBondContact O-CB 3.18Å; I765-A769 PolarHBondContact O-N 3.38Å; A769-M771 VanDerWaalsContact C-N 3.33Å; A769-M771 PolarHBondContact O-N 3.36Å; A769-L772 PolarHBondContact O-N 3.35Å; A769-S773 WeakPolarHBondContact O-CB 3.3Å; A769-S773 PolarHBondContact O-N 2.81Å
770	P	87.1	Confident	86.9	Confident	4 Å²	4	26.7 Å²	26.7	3%	0.026	15%	0.146	C	C	.	.	H	α-helix	trans	-62.2	-41.9	177.1	-15.9	26.8	0	0	0	111.8	Y342 D766 L772 S773 T774 H794	Y342-P770 WeakPolarHBondContact OH-CG 3.21Å; D766-P770 VanDerWaalsContact O-CD 3.31Å; D766-P770 WeakPolarHBondContact O-CD 3.42Å; D766-P770 WeakPolarHBondContact O-CG 3.31Å; P770-L772 PolarHBondContact O-N 2.87Å; P770-S773 PolarHBondContact O-N 2.73Å; P770-T774 PolarHBondContact O-N 3.42Å; P770-T774 PolarHBondContact O-OG1 3.39Å; P770-H794 PolarHBondContact O-NE2 2.62Å
771	M	86.9	Confident	85.8	Confident	2 Å²	2	32.5 Å²	32.5	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-62.5	-44.1	178.9	-165.8	-179.2	120.5	0	0	111.7	C768 A769 T774 F775 A790 L791 C838 L842 P843	C768-M771 PolarHBondContact O-N 3.04Å; A769-M771 VanDerWaalsContact C-N 3.33Å; A769-M771 PolarHBondContact O-N 3.36Å; M771-T774 PolarHBondContact O-N 2.91Å; M771-F775 PolarHBondContact O-N 3.23Å; M771-A790 HydrophobicContact CG-CB 3.8Å; M771-L791 HydrophobicContact CE-CD2 4.27Å; M771-L791 HydrophobicContact SD-CD2 3.84Å; M771-L791 HydrophobicContact SD-CG 4.47Å; M771-C838 WeakPolarHBondContact CE-O 3.3Å; M771-L842 HydrophobicContact CE-CB 4.45Å; M771-L842 HydrophobicContact CE-CD2 4.13Å; M771-L842 HydrophobicContact CE-CG 4.36Å; M771-P843 HydrophobicContact CE-CG 3.59Å
772	L	88.3	Confident	85.2	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.2	-41.2	175.1	-80.2	166.1	0	0	0	112.7	I723 W726 I727 C768 A769 P770 F775 V776 L842 L846	I723-L772 HydrophobicContact CG2-CB 4.28Å; W726-L772 HydrophobicContact CB-CD1 3.79Å; W726-L772 HydrophobicContact CB-CD2 3.69Å; W726-L772 HydrophobicContact CB-CG 4.4Å; W726-L772 HydrophobicContact CG-CD2 4.22Å; I727-L772 HydrophobicContact CB-CD1 4.41Å; I727-L772 HydrophobicContact CG1-CD1 3.52Å; C768-L772 WeakPolarHBondContact O-CB 3.25Å; C768-L772 PolarHBondContact O-N 2.83Å; A769-L772 PolarHBondContact O-N 3.35Å; P770-L772 PolarHBondContact O-N 2.87Å; L772-F775 PolarHBondContact O-N 3.3Å; L772-V776 WeakPolarHBondContact O-CB 3.28Å; L772-V776 WeakPolarHBondContact O-CG2 3.4Å; L772-V776 PolarHBondContact O-N 3.17Å; L772-L842 HydrophobicContact CD1-CD1 4.43Å; L772-L842 HydrophobicContact CD1-CD2 4.01Å; L772-L842 HydrophobicContact CD2-CD1 4.04Å; L772-L842 HydrophobicContact CD2-CD2 4.14Å; L772-L842 HydrophobicContact CD2-CG 4.26Å; L772-L842 HydrophobicContact CG-CD2 3.84Å; L772-L846 HydrophobicContact CD2-CD1 3.81Å; L772-L846 HydrophobicContact CD2-CD2 3.89Å; L772-L846 HydrophobicContact CD2-CG 4.39Å
773	S	84.5	Confident	84.4	Confident	32 Å²	32	40.3 Å²	40.3	22%	0.224	21%	0.211	C	C	.	.	H	α-helix	trans	-59.2	-49.5	176.6	-174.7	0	0	0	0	111.2	A769 P770 F775 V776 L777	A769-S773 WeakPolarHBondContact O-CB 3.3Å; A769-S773 PolarHBondContact O-N 2.81Å; P770-S773 PolarHBondContact O-N 2.73Å; S773-F775 VanDerWaalsContact C-N 3.34Å; S773-F775 PolarHBondContact O-N 2.75Å; S773-V776 PolarHBondContact O-N 3.39Å; S773-L777 VanDerWaalsContact O-CB 3.28Å; S773-L777 WeakPolarHBondContact O-CB 3.46Å; S773-L777 WeakPolarHBondContact O-CG 3.39Å; S773-L777 PolarHBondContact O-N 2.85Å
774	T	85	Confident	84	Confident	31 Å²	31	42.2 Å²	42.2	19%	0.19	22%	0.224	C	C	.	.	H	α-helix	trans	-62.7	-38.6	178.1	-65.5	0	0	0	0	112.3	P770 M771 G778 A790 H794	P770-T774 PolarHBondContact O-N 3.42Å; P770-T774 PolarHBondContact O-OG1 3.39Å; M771-T774 PolarHBondContact O-N 2.91Å; T774-G778 PolarHBondContact O-N 3.16Å; T774-A790 HydrophobicContact CG2-CB 4.07Å; T774-H794 PolarHBondContact OG1-NE2 2.99Å
775	F	84.8	Confident	83.6	Confident	32 Å²	32	47.3 Å²	47.3	14%	0.14	25%	0.246	C	C	.	.	H	α-helix	trans	-65.5	-50.2	175.3	173.2	-99.5	0	0	0	112.6	M771 L772 S773 G778 R783 W786 V787 A790 L846	M771-F775 PolarHBondContact O-N 3.23Å; L772-F775 PolarHBondContact O-N 3.3Å; S773-F775 VanDerWaalsContact C-N 3.34Å; S773-F775 PolarHBondContact O-N 2.75Å; F775-G778 PolarHBondContact O-N 3.27Å; F775-R783 HydrophobicContact CE2-CB 4.23Å; F775-R783 HydrophobicContact CZ-CB 4.43Å; F775-R783 HydrophobicContact CZ-CG 4.36Å; F775-W786 HydrophobicContact CD2-CB 3.87Å; F775-W786 HydrophobicContact CE2-CB 4.19Å; F775-V787 HydrophobicContact CD2-CG2 3.67Å; F775-V787 HydrophobicContact CE2-CG2 3.56Å; F775-A790 HydrophobicContact CB-CB 4.36Å; F775-L846 HydrophobicContact CB-CD1 4.34Å; F775-L846 HydrophobicContact CD1-CB 4.3Å; F775-L846 HydrophobicContact CD1-CD1 3.85Å; F775-L846 HydrophobicContact CD1-CD2 3.81Å; F775-L846 HydrophobicContact CD1-CG 4.19Å; F775-L846 HydrophobicContact CD2-CB 4.45Å; F775-L846 HydrophobicContact CD2-CD1 4.39Å; F775-L846 HydrophobicContact CE1-CB 3.89Å; F775-L846 HydrophobicContact CE1-CD1 4.27Å; F775-L846 HydrophobicContact CE1-CD2 3.64Å; F775-L846 HydrophobicContact CE1-CG 4.12Å; F775-L846 HydrophobicContact CE2-CB 4.06Å; F775-L846 HydrophobicContact CG-CD1 3.92Å; F775-L846 HydrophobicContact CZ-CB 3.76Å; F775-L846 HydrophobicContact CZ-CD2 4.37Å; F775-L846 HydrophobicContact CZ-CG 4.48Å; F775-L846 WeakPolarHBondContact CZ-O 3.22Å
776	V	80.1	Confident	83.3	Confident	33 Å²	33	49.6 Å²	49.6	20%	0.2	25%	0.254	C	S	.	.	H	α-helix	trans	-72.8	-33.6	-173.9	174.6	0	0	0	0	112.3	D720 L722 I723 L772 S773 G778	D720-V776 HydrophobicContact CB-CG1 3.89Å; L722-V776 HydrophobicContact CB-CG1 4.48Å; I723-V776 HydrophobicContact CD1-CB 4Å; I723-V776 HydrophobicContact CD1-CG1 4.13Å; I723-V776 HydrophobicContact CG1-CB 3.56Å; I723-V776 HydrophobicContact CG1-CG1 3.77Å; I723-V776 HydrophobicContact CG1-CG2 3.65Å; L772-V776 WeakPolarHBondContact O-CB 3.28Å; L772-V776 WeakPolarHBondContact O-CG2 3.4Å; L772-V776 PolarHBondContact O-N 3.17Å; S773-V776 PolarHBondContact O-N 3.39Å; V776-G778 PolarHBondContact O-N 3.4Å
777	L	78.3	Confident	83.2	Confident	95 Å²	95	49.6 Å²	49.6	50%	0.497	25%	0.254	S	S	.	.	H	α-helix	trans	-74.8	-11.6	177	-66.5	175.8	0	0	0	113.1	S773	S773-L777 VanDerWaalsContact O-CB 3.28Å; S773-L777 WeakPolarHBondContact O-CB 3.46Å; S773-L777 WeakPolarHBondContact O-CG 3.39Å; S773-L777 PolarHBondContact O-N 2.85Å
778	G	75.3	Confident	83.1	Confident	20 Å²	20	51.7 Å²	51.7	21%	0.206	26%	0.263	C	S	.	.			trans	-59.8	137.9	175.7	0	0	0	0	0	113.3	T774 F775 V776 W786	T774-G778 PolarHBondContact O-N 3.16Å; F775-G778 PolarHBondContact O-N 3.27Å; V776-G778 PolarHBondContact O-N 3.4Å; G778-W786 VanDerWaalsContact CA-CD2 3.44Å
779	K	72.8	Confident	82.9	Confident	132 Å²	132	54.3 Å²	54.3	57%	0.574	28%	0.277	S	S	*	.			trans	-128.3	159.4	178	-63.8	-177.8	-176.7	175.4	0	111.2	F781 W786	K779-F781 WeakPolarHBondContact O-CD2 3.33Å; K779-F781 PolarHBondContact O-N 3.43Å; K779-W786 WeakPolarHBondContact O-CZ2 3.44Å; K779-W786 PolarHBondContact O-NE1 3Å; K779-W786 VanDerWaalsContact O-NE1 3.12Å
780	D	68.4	Low	83	Confident	154 Å²	154	53.9 Å²	53.9	82%	0.824	27%	0.273	S	S	*	.	S	Bend	trans	63.8	9.2	164	-48.5	-46.1	0	0	0	117.7
781	F	72.1	Confident	83.2	Confident	121 Å²	121	53.7 Å²	53.7	53%	0.531	27%	0.272	S	S	.	.	S	Bend	trans	-133.5	168.7	175.7	-62.2	-76.5	0	0	0	113.3	K779 K785 W786	K779-F781 WeakPolarHBondContact O-CD2 3.33Å; K779-F781 PolarHBondContact O-N 3.43Å; F781-K785 HydrophobicContact CB-CB 4.33Å; F781-K785 HydrophobicContact CB-CD 4.04Å; F781-K785 HydrophobicContact CB-CG 4.46Å; F781-K785 HydrophobicContact CD1-CD 3.71Å; F781-K785 HydrophobicContact CE1-CD 4.37Å; F781-K785 VanDerWaalsContact CE1-NZ 3.25Å; F781-K785 HydrophobicContact CG-CD 3.93Å; F781-W786 AromaticContact CD2-CE2 3.98Å; F781-W786 AromaticContact CD2-CZ2 3.74Å; F781-W786 HydrophobicContact CD2-CZ2 3.74Å; F781-W786 AromaticContact CD2-NE1 3.96Å; F781-W786 HydrophobicContact CE2-CZ2 4.42Å
782	T	82.1	Confident	83.3	Confident	97 Å²	97	56 Å²	56	60%	0.595	28%	0.283	S	S	*	.			trans	-64.3	150.4	174.6	63.3	0	0	0	0	111.6	T784 K785 W786	T782-T784 VanDerWaalsContact C-N 3.29Å; T782-T784 PolarHBondContact O-N 2.97Å; T782-K785 WeakPolarHBondContact O-CB 3.45Å; T782-K785 PolarHBondContact O-N 2.93Å; T782-K785 WeakPolarHBondContact OG1-CB 3.38Å; T782-K785 PolarHBondContact OG1-N 2.93Å; T782-W786 PolarHBondContact O-N 3.48Å; T782-W786 VanDerWaalsContact O-N 3.15Å
783	R	78.9	Confident	83.3	Confident	68 Å²	68	57.4 Å²	57.4	26%	0.257	29%	0.291	S	S	.	.	H	α-helix	trans	-58.5	-42.4	178.6	-67.2	-177.8	-121.2	147.3	-5.6	112.4	F775 K785 W786 V787 T847 F848 L849	F775-R783 HydrophobicContact CE2-CB 4.23Å; F775-R783 HydrophobicContact CZ-CB 4.43Å; F775-R783 HydrophobicContact CZ-CG 4.36Å; R783-K785 PolarHBondContact O-N 3.3Å; R783-W786 PolarHBondContact O-N 3.44Å; R783-V787 WeakPolarHBondContact O-CG2 3.17Å; R783-V787 PolarHBondContact O-N 2.88Å; R783-T847 PolarHBondContact NH1-O 3.27Å; R783-F848 PolarHBondContact NH1-O 2.85Å; R783-L849 WeakPolarHBondContact CD-O 3.5Å; R783-L849 PolarHBondContact NE-O 3.46Å; R783-L849 VanDerWaalsContact NH1-N 3.11Å; R783-L849 PolarHBondContact NH1-O 3.12Å; R783-L849 PolarHBondContact NH2-O 2.72Å
784	T	85.6	Confident	83.6	Confident	45 Å²	45	56.3 Å²	56.3	28%	0.276	28%	0.283	S	S	.	.	H	α-helix	trans	-53	-45.1	174.8	-59.6	0	0	0	0	111	T496 T782 W786 V787 K788	T496-T784 HydrophobicContact CG2-CG2 4.1Å; T782-T784 VanDerWaalsContact C-N 3.29Å; T782-T784 PolarHBondContact O-N 2.97Å; T784-W786 PolarHBondContact O-N 3.34Å; T784-V787 PolarHBondContact O-N 3.31Å; T784-K788 VanDerWaalsContact O-CG 3.3Å; T784-K788 WeakPolarHBondContact O-CG 3.42Å; T784-K788 PolarHBondContact O-N 3.28Å
785	K	87.1	Confident	84	Confident	107 Å²	107	54.9 Å²	54.9	47%	0.465	27%	0.274	S	S	.	.	H	α-helix	trans	-65.6	-38.6	178.2	-170.3	170	178.9	-177.9	0	112.3	F781 T782 R783 K788 N789	F781-K785 HydrophobicContact CB-CB 4.33Å; F781-K785 HydrophobicContact CB-CD 4.04Å; F781-K785 HydrophobicContact CB-CG 4.46Å; F781-K785 HydrophobicContact CD1-CD 3.71Å; F781-K785 HydrophobicContact CE1-CD 4.37Å; F781-K785 VanDerWaalsContact CE1-NZ 3.25Å; F781-K785 HydrophobicContact CG-CD 3.93Å; T782-K785 WeakPolarHBondContact O-CB 3.45Å; T782-K785 PolarHBondContact O-N 2.93Å; T782-K785 WeakPolarHBondContact OG1-CB 3.38Å; T782-K785 PolarHBondContact OG1-N 2.93Å; R783-K785 PolarHBondContact O-N 3.3Å; K785-K788 PolarHBondContact O-N 3.45Å; K785-N789 WeakPolarHBondContact O-CB 3.45Å; K785-N789 PolarHBondContact O-N 3.29Å
786	W	86.6	Confident	84.3	Confident	52 Å²	52	53.4 Å²	53.4	20%	0.197	27%	0.268	C	S	.	.	H	α-helix	trans	-72.2	-33.7	177.1	-79	115.6	0	0	0	114	F775 G778 K779 F781 T782 R783 T784 N789 A790	F775-W786 HydrophobicContact CD2-CB 3.87Å; F775-W786 HydrophobicContact CE2-CB 4.19Å; G778-W786 VanDerWaalsContact CA-CD2 3.44Å; K779-W786 WeakPolarHBondContact O-CZ2 3.44Å; K779-W786 PolarHBondContact O-NE1 3Å; K779-W786 VanDerWaalsContact O-NE1 3.12Å; F781-W786 AromaticContact CD2-CE2 3.98Å; F781-W786 AromaticContact CD2-CZ2 3.74Å; F781-W786 HydrophobicContact CD2-CZ2 3.74Å; F781-W786 AromaticContact CD2-NE1 3.96Å; F781-W786 HydrophobicContact CE2-CZ2 4.42Å; T782-W786 PolarHBondContact O-N 3.48Å; T782-W786 VanDerWaalsContact O-N 3.15Å; R783-W786 PolarHBondContact O-N 3.44Å; T784-W786 PolarHBondContact O-N 3.34Å; W786-N789 HydrophobicContact CE3-CB 4.11Å; W786-N789 HydrophobicContact CZ3-CB 4.49Å; W786-N789 VanDerWaalsContact CZ3-ND2 3.3Å; W786-N789 WeakPolarHBondContact CZ3-ND2 3.38Å; W786-N789 PolarHBondContact O-N 3.44Å; W786-A790 WeakPolarHBondContact O-CB 3.49Å; W786-A790 PolarHBondContact O-N 2.87Å
787	V	89.4	Confident	84.9	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-63.4	-46.6	170.7	170.4	0	0	0	0	110.2	T496 F775 R783 T784 N789 A790 L791 P843 L846 T847	T496-V787 HydrophobicContact CG2-CB 4.43Å; T496-V787 HydrophobicContact CG2-CG1 3.97Å; F775-V787 HydrophobicContact CD2-CG2 3.67Å; F775-V787 HydrophobicContact CE2-CG2 3.56Å; R783-V787 WeakPolarHBondContact O-CG2 3.17Å; R783-V787 PolarHBondContact O-N 2.88Å; T784-V787 PolarHBondContact O-N 3.31Å; V787-N789 VanDerWaalsContact C-N 3.35Å; V787-N789 PolarHBondContact O-N 3.1Å; V787-A790 PolarHBondContact O-N 2.85Å; V787-L791 HydrophobicContact CG1-CD1 4.16Å; V787-L791 PolarHBondContact O-N 2.96Å; V787-P843 HydrophobicContact CG1-CB 3.61Å; V787-P843 HydrophobicContact CG1-CG 4.46Å; V787-L846 HydrophobicContact CG2-CB 3.96Å; V787-T847 HydrophobicContact CG2-CG2 4.11Å
788	K	89.9	Confident	85.7	Confident	47 Å²	47	47.5 Å²	47.5	20%	0.204	24%	0.235	C	C	.	.	H	α-helix	trans	-58.6	-46.8	174.5	-67.6	-177.3	-176.8	-176.9	0	111.4	C492 D493 T496 T784 K785 A790 L791 E792	C492-K788 HydrophobicContact CB-CB 4.3Å; C492-K788 HydrophobicContact CB-CD 4.38Å; C492-K788 HydrophobicContact CB-CG 3.93Å; D493-K788 WeakPolarHBondContact OD1-CE 3.29Å; D493-K788 IonicContact OD1-NZ 2.78Å; D493-K788 PolarHBondContact OD1-NZ 3Å; T496-K788 HydrophobicContact CG2-CG 4.04Å; T496-K788 WeakPolarHBondContact OG1-CE 3.47Å; T784-K788 VanDerWaalsContact O-CG 3.3Å; T784-K788 WeakPolarHBondContact O-CG 3.42Å; T784-K788 PolarHBondContact O-N 3.28Å; K785-K788 PolarHBondContact O-N 3.45Å; K788-A790 PolarHBondContact O-N 3.41Å; K788-L791 PolarHBondContact O-N 3.44Å; K788-E792 WeakPolarHBondContact O-CB 3.44Å; K788-E792 VanDerWaalsContact O-CG 3.29Å; K788-E792 WeakPolarHBondContact O-CG 3.48Å; K788-E792 PolarHBondContact O-N 3.06Å
789	N	88.5	Confident	86.6	Confident	57 Å²	57	47.8 Å²	47.8	31%	0.305	23%	0.232	S	C	.	.	H	α-helix	trans	-60.5	-44.1	177.3	-175.2	67.4	0	0	0	112.3	K785 W786 V787 L791 E792 V793	K785-N789 WeakPolarHBondContact O-CB 3.45Å; K785-N789 PolarHBondContact O-N 3.29Å; W786-N789 HydrophobicContact CE3-CB 4.11Å; W786-N789 HydrophobicContact CZ3-CB 4.49Å; W786-N789 VanDerWaalsContact CZ3-ND2 3.3Å; W786-N789 WeakPolarHBondContact CZ3-ND2 3.38Å; W786-N789 PolarHBondContact O-N 3.44Å; V787-N789 VanDerWaalsContact C-N 3.35Å; V787-N789 PolarHBondContact O-N 3.1Å; N789-L791 PolarHBondContact O-N 2.99Å; N789-E792 PolarHBondContact O-N 3.19Å; N789-V793 WeakPolarHBondContact O-CB 3.39Å; N789-V793 WeakPolarHBondContact O-CG2 3.38Å; N789-V793 PolarHBondContact O-N 3.36Å
790	A	90.4	Very high	87.7	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-62.6	-42.2	178.1	0	0	0	0	0	112.1	M771 T774 F775 W786 V787 K788 V793 H794	M771-A790 HydrophobicContact CG-CB 3.8Å; T774-A790 HydrophobicContact CG2-CB 4.07Å; F775-A790 HydrophobicContact CB-CB 4.36Å; W786-A790 WeakPolarHBondContact O-CB 3.49Å; W786-A790 PolarHBondContact O-N 2.87Å; V787-A790 PolarHBondContact O-N 2.85Å; K788-A790 PolarHBondContact O-N 3.41Å; A790-V793 PolarHBondContact O-N 3.17Å; A790-H794 PolarHBondContact O-N 3.36Å; A790-H794 VanDerWaalsContact O-N 3.13Å
791	L	91.8	Very high	89	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.1	-46.5	173.6	-74.5	169.5	0	0	0	111.4	L487 I495 M771 V787 K788 N789 V793 G795 F839 P843	L487-L791 WeakPolarHBondContact CD2-O 3.47Å; I495-L791 HydrophobicContact CG2-CD1 4.02Å; M771-L791 HydrophobicContact CE-CD2 4.27Å; M771-L791 HydrophobicContact SD-CD2 3.84Å; M771-L791 HydrophobicContact SD-CG 4.47Å; V787-L791 HydrophobicContact CG1-CD1 4.16Å; V787-L791 PolarHBondContact O-N 2.96Å; K788-L791 PolarHBondContact O-N 3.44Å; N789-L791 PolarHBondContact O-N 2.99Å; L791-V793 VanDerWaalsContact C-N 3.29Å; L791-V793 PolarHBondContact O-N 2.83Å; L791-G795 WeakPolarHBondContact O-CA 3.48Å; L791-G795 PolarHBondContact O-N 3.09Å; L791-F839 HydrophobicContact CD2-CD1 4.15Å; L791-F839 HydrophobicContact CD2-CE1 4.42Å; L791-P843 HydrophobicContact CD1-CB 4.38Å; L791-P843 HydrophobicContact CD1-CG 4.19Å; L791-P843 HydrophobicContact CD2-CG 4.26Å
792	E	88.5	Confident	90.1	Very high	52 Å²	52	29.9 Å²	29.9	24%	0.243	15%	0.146	C	C	.	.	H	α-helix	trans	-62	-35.7	178.6	-74.7	172.2	-143.9	0	0	112.6	K488 K788 N789	K488-E792 HydrophobicContact CB-CG 4.22Å; K488-E792 HydrophobicContact CG-CG 4.2Å; K788-E792 WeakPolarHBondContact O-CB 3.44Å; K788-E792 VanDerWaalsContact O-CG 3.29Å; K788-E792 WeakPolarHBondContact O-CG 3.48Å; K788-E792 PolarHBondContact O-N 3.06Å; N789-E792 PolarHBondContact O-N 3.19Å
793	V	88.4	Confident	90.8	Very high	29 Å²	29	27.9 Å²	27.9	18%	0.176	13%	0.131	C	C	.	.	H	α-helix	trans	-73.9	-45.5	-179.2	173.1	0	0	0	0	111.8	K353 N789 A790 L791	K353-V793 PolarHBondContact NZ-O 3.09Å; N789-V793 WeakPolarHBondContact O-CB 3.39Å; N789-V793 WeakPolarHBondContact O-CG2 3.38Å; N789-V793 PolarHBondContact O-N 3.36Å; A790-V793 PolarHBondContact O-N 3.17Å; L791-V793 VanDerWaalsContact C-N 3.29Å; L791-V793 PolarHBondContact O-N 2.83Å
794	H	91.8	Very high	91.7	Very high	9 Å²	9	24.6 Å²	24.6	4%	0.042	12%	0.119	C	C	.	.	H	α-helix	trans	-113.1	-24.8	-170.6	-60.3	-66.5	0	0	0	114.7	E346 P770 T774 A790 V796 A797 I798	E346-H794 IonicContact OE1-CE1 2.69Å; E346-H794 PolarHBondContact OE1-CE1 2.84Å; E346-H794 VanDerWaalsContact OE1-CE1 3.3Å; E346-H794 IonicContact OE1-ND1 3.49Å; E346-H794 PolarHBondContact OE1-ND1 3.01Å; E346-H794 IonicContact OE2-ND1 3.52Å; P770-H794 PolarHBondContact O-NE2 2.62Å; T774-H794 PolarHBondContact OG1-NE2 2.99Å; A790-H794 PolarHBondContact O-N 3.36Å; A790-H794 VanDerWaalsContact O-N 3.13Å; H794-V796 VanDerWaalsContact C-N 3.28Å; H794-V796 PolarHBondContact O-N 2.95Å; H794-A797 PolarHBondContact O-N 3.32Å; H794-A797 VanDerWaalsContact O-N 3.15Å; H794-I798 HydrophobicContact CB-CD1 4.03Å; H794-I798 WeakPolarHBondContact O-CG1 3.41Å; H794-I798 PolarHBondContact O-N 3.38Å; H794-I798 VanDerWaalsContact O-N 3.15Å
795	G	92.5	Very high	92.2	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.01	11%	0.106	C	C	.	.	H	α-helix	trans	-62.3	-30.4	-169.3	0	0	0	0	0	114.1	L791 L799 F839	L791-G795 WeakPolarHBondContact O-CA 3.48Å; L791-G795 PolarHBondContact O-N 3.09Å; G795-L799 WeakPolarHBondContact O-CB 3.38Å; G795-L799 PolarHBondContact O-N 3.46Å; G795-F839 WeakPolarHBondContact O-CZ 3.44Å
796	V	92	Very high	92.8	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.006	9%	0.089	C	C	.	.	H	α-helix	trans	-66	-45.4	176.5	175.7	0	0	0	0	111.6	L483 V484 L487 H794 L799 Q800	L483-V796 HydrophobicContact CB-CG1 4.15Å; L483-V796 HydrophobicContact CB-CG2 4.39Å; L483-V796 HydrophobicContact CD1-CG1 4.42Å; V484-V796 HydrophobicContact CB-CG2 4.43Å; V484-V796 HydrophobicContact CG2-CG1 4.44Å; V484-V796 HydrophobicContact CG2-CG2 3.73Å; L487-V796 HydrophobicContact CD2-CG2 3.96Å; H794-V796 VanDerWaalsContact C-N 3.28Å; H794-V796 PolarHBondContact O-N 2.95Å; V796-L799 PolarHBondContact O-N 3.3Å; V796-Q800 HydrophobicContact CG1-CG 4.46Å; V796-Q800 WeakPolarHBondContact O-CB 3.04Å; V796-Q800 VanDerWaalsContact O-CG 3.27Å; V796-Q800 WeakPolarHBondContact O-CG 3.33Å; V796-Q800 PolarHBondContact O-N 2.91Å
797	A	93.3	Very high	93.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-65.6	-42.7	179.2	0	0	0	0	0	111.2	F345 E346 H794 L799 Q800 S801	F345-A797 HydrophobicContact CB-CB 4.11Å; E346-A797 HydrophobicContact CB-CB 4.36Å; E346-A797 VanDerWaalsContact OE2-CB 3.29Å; E346-A797 WeakPolarHBondContact OE2-CB 3.48Å; H794-A797 PolarHBondContact O-N 3.32Å; H794-A797 VanDerWaalsContact O-N 3.15Å; A797-L799 PolarHBondContact O-N 3.24Å; A797-Q800 PolarHBondContact O-N 2.9Å; A797-S801 WeakPolarHBondContact O-CB 3.4Å; A797-S801 PolarHBondContact O-N 2.82Å
798	I	95	Very high	93.7	Very high	3 Å²	3	17.6 Å²	17.6	2%	0.015	9%	0.09	C	C	.	.	H	α-helix	trans	-59.8	-46	175.6	-64.3	171.6	0	0	0	110.3	N767 H794 S801 Y802 F839	N767-I798 HydrophobicContact CB-CG2 4.22Å; N767-I798 VanDerWaalsContact O-CD1 3.26Å; N767-I798 WeakPolarHBondContact O-CD1 3.44Å; N767-I798 WeakPolarHBondContact OD1-CG2 3.39Å; H794-I798 HydrophobicContact CB-CD1 4.03Å; H794-I798 WeakPolarHBondContact O-CG1 3.41Å; H794-I798 PolarHBondContact O-N 3.38Å; H794-I798 VanDerWaalsContact O-N 3.15Å; I798-S801 PolarHBondContact O-N 3.01Å; I798-Y802 VanDerWaalsContact O-CB 3.3Å; I798-Y802 WeakPolarHBondContact O-CB 3.23Å; I798-Y802 PolarHBondContact O-N 2.99Å; I798-F839 HydrophobicContact CB-CE2 4.22Å; I798-F839 HydrophobicContact CB-CZ 4.22Å; I798-F839 HydrophobicContact CG2-CD2 4.47Å; I798-F839 HydrophobicContact CG2-CE2 3.46Å; I798-F839 VanDerWaalsContact CG2-CE2 3.46Å; I798-F839 HydrophobicContact CG2-CZ 3.96Å
799	L	94.5	Very high	94	Very high	26 Å²	26	15.4 Å²	15.4	14%	0.136	8%	0.08	C	C	.	.	H	α-helix	trans	-66.5	-41.8	179.8	-177.2	60	0	0	0	112.2	L483 G795 V796 A797 Y802 L803 F835 F839	L483-L799 HydrophobicContact CD1-CD2 4.37Å; L483-L799 HydrophobicContact CD2-CD2 3.77Å; L483-L799 HydrophobicContact CG-CD2 4.48Å; G795-L799 WeakPolarHBondContact O-CB 3.38Å; G795-L799 PolarHBondContact O-N 3.46Å; V796-L799 PolarHBondContact O-N 3.3Å; A797-L799 PolarHBondContact O-N 3.24Å; L799-Y802 PolarHBondContact O-N 3.38Å; L799-L803 HydrophobicContact CD1-CD1 4.29Å; L799-L803 HydrophobicContact CD1-CG 4.25Å; L799-L803 HydrophobicContact CG-CD1 4.15Å; L799-L803 WeakPolarHBondContact O-CB 3.43Å; L799-L803 VanDerWaalsContact O-CG 3.23Å; L799-L803 WeakPolarHBondContact O-CG 3.41Å; L799-L803 PolarHBondContact O-N 3.46Å; L799-F835 HydrophobicContact CD1-CE2 3.78Å; L799-F835 HydrophobicContact CD1-CZ 4.23Å; L799-F839 HydrophobicContact CB-CZ 4.06Å
800	Q	94.3	Very high	94.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62.4	-44.7	175.3	-72.8	170.3	-38	0	0	111.8	C286 F345 L483 V796 A797 L803 C804	C286-Q800 HydrophobicContact CB-CB 4.25Å; C286-Q800 HydrophobicContact CB-CG 3.99Å; C286-Q800 PolarHBondContact O-NE2 3.23Å; F345-Q800 HydrophobicContact CB-CB 4.44Å; F345-Q800 HydrophobicContact CD1-CB 4.13Å; F345-Q800 HydrophobicContact CD2-CB 3.76Å; F345-Q800 HydrophobicContact CE1-CB 4.3Å; F345-Q800 HydrophobicContact CE2-CB 3.93Å; F345-Q800 HydrophobicContact CG-CB 3.87Å; F345-Q800 HydrophobicContact CZ-CB 4.21Å; L483-Q800 HydrophobicContact CD1-CG 3.63Å; V796-Q800 HydrophobicContact CG1-CG 4.46Å; V796-Q800 WeakPolarHBondContact O-CB 3.04Å; V796-Q800 VanDerWaalsContact O-CG 3.27Å; V796-Q800 WeakPolarHBondContact O-CG 3.33Å; V796-Q800 PolarHBondContact O-N 2.91Å; A797-Q800 PolarHBondContact O-N 2.9Å; Q800-L803 PolarHBondContact O-N 2.87Å; Q800-C804 PolarHBondContact O-N 3.29Å; Q800-C804 VanDerWaalsContact O-N 3.11Å; Q800-C804 PolarHBondContact O-SG 3.42Å
801	S	95.3	Very high	94.8	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.007	9%	0.092	C	C	.	.	H	α-helix	trans	-59.6	-51.5	175.7	-174.5	0	0	0	0	110.7	Y342 A797 I798 L803 C804 Y805	Y342-S801 PolarHBondContact N-OG 2.96Å; A797-S801 WeakPolarHBondContact O-CB 3.4Å; A797-S801 PolarHBondContact O-N 2.82Å; I798-S801 PolarHBondContact O-N 3.01Å; S801-L803 PolarHBondContact O-N 3.21Å; S801-C804 PolarHBondContact O-N 3.32Å; S801-Y805 VanDerWaalsContact O-CB 3.23Å; S801-Y805 WeakPolarHBondContact O-CB 3.41Å; S801-Y805 PolarHBondContact O-N 2.88Å
802	Y	96.4	Very high	95	Very high	30 Å²	30	17.9 Å²	17.9	12%	0.118	9%	0.093	C	C	.	.	H	α-helix	trans	-56.3	-48	178.2	174.5	-101.3	0	0	0	112.6	I798 L799 Y805 I806 A831 F835	I798-Y802 VanDerWaalsContact O-CB 3.3Å; I798-Y802 WeakPolarHBondContact O-CB 3.23Å; I798-Y802 PolarHBondContact O-N 2.99Å; L799-Y802 PolarHBondContact O-N 3.38Å; Y802-Y805 PolarHBondContact O-N 3.47Å; Y802-I806 HydrophobicContact CD1-CG1 4.45Å; Y802-I806 HydrophobicContact CD2-CG1 4.04Å; Y802-I806 HydrophobicContact CE1-CG1 4.08Å; Y802-I806 HydrophobicContact CE2-CD1 3.88Å; Y802-I806 HydrophobicContact CE2-CG1 3.61Å; Y802-I806 HydrophobicContact CG-CG1 4.45Å; Y802-I806 WeakPolarHBondContact O-CG1 3.35Å; Y802-I806 PolarHBondContact O-N 3.01Å; Y802-A831 HydrophobicContact CD2-CB 4.31Å; Y802-A831 HydrophobicContact CE2-CB 4.11Å; Y802-A831 WeakPolarHBondContact CE2-O 3.23Å; Y802-F835 AromaticContact CD1-CD2 3.72Å; Y802-F835 HydrophobicContact CD1-CD2 3.72Å; Y802-F835 AromaticContact CD1-CE2 3.95Å; Y802-F835 HydrophobicContact CD1-CE2 3.95Å; Y802-F835 HydrophobicContact CD1-CG 4.3Å; Y802-F835 HydrophobicContact CD2-CB 3.88Å; Y802-F835 AromaticContact CD2-CD2 3.98Å; Y802-F835 HydrophobicContact CD2-CD2 3.98Å; Y802-F835 HydrophobicContact CD2-CG 4.17Å; Y802-F835 AromaticContact CE1-CD2 3.98Å; Y802-F835 HydrophobicContact CE1-CD2 3.98Å; Y802-F835 HydrophobicContact CE1-CE2 4.24Å; Y802-F835 HydrophobicContact CE1-CG 4.13Å; Y802-F835 HydrophobicContact CE2-CB 3.65Å; Y802-F835 HydrophobicContact CE2-CD2 4.22Å; Y802-F835 AromaticContact CE2-CG 3.99Å; Y802-F835 HydrophobicContact CE2-CG 3.99Å; Y802-F835 HydrophobicContact CG-CB 4.48Å; Y802-F835 AromaticContact CG-CD2 3.71Å; Y802-F835 HydrophobicContact CG-CD2 3.71Å; Y802-F835 HydrophobicContact CG-CE2 4.33Å; Y802-F835 HydrophobicContact CG-CG 4.31Å; Y802-F835 AromaticContact CZ-CG 3.96Å
803	L	96.2	Very high	95.3	Very high	55 Å²	55	17.6 Å²	17.6	29%	0.288	10%	0.099	S	C	.	.	H	α-helix	trans	-62.4	-46.8	-179.2	-73.7	172.3	0	0	0	112.2	M282 L799 Q800 S801 Y805 V807	M282-L803 HydrophobicContact CE-CB 3.72Å; M282-L803 HydrophobicContact CE-CD1 3.85Å; M282-L803 HydrophobicContact CE-CG 4.25Å; L799-L803 HydrophobicContact CD1-CD1 4.29Å; L799-L803 HydrophobicContact CD1-CG 4.25Å; L799-L803 HydrophobicContact CG-CD1 4.15Å; L799-L803 WeakPolarHBondContact O-CB 3.43Å; L799-L803 VanDerWaalsContact O-CG 3.23Å; L799-L803 WeakPolarHBondContact O-CG 3.41Å; L799-L803 PolarHBondContact O-N 3.46Å; Q800-L803 PolarHBondContact O-N 2.87Å; S801-L803 PolarHBondContact O-N 3.21Å; L803-Y805 VanDerWaalsContact C-N 3.31Å; L803-Y805 PolarHBondContact O-N 3.03Å; L803-V807 WeakPolarHBondContact O-CB 3.22Å; L803-V807 VanDerWaalsContact O-CG2 3.25Å; L803-V807 WeakPolarHBondContact O-CG2 3.15Å; L803-V807 PolarHBondContact O-N 3.43Å; L803-V807 VanDerWaalsContact O-N 3.13Å
804	C	97.4	Very high	95.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-64	-39.4	177	-65	0	0	0	0	111.3	L341 F345 Q800 S801 G808	L341-C804 HydrophobicContact CD1-CB 3.49Å; L341-C804 VanDerWaalsContact CD1-CB 3.49Å; F345-C804 HydrophobicContact CE2-CB 4.4Å; Q800-C804 PolarHBondContact O-N 3.29Å; Q800-C804 VanDerWaalsContact O-N 3.11Å; Q800-C804 PolarHBondContact O-SG 3.42Å; S801-C804 PolarHBondContact O-N 3.32Å; C804-G808 PolarHBondContact O-N 2.71Å
805	Y	97.6	Very high	95.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.2	-50.7	179.3	-166.4	-100.9	0	0	0	112.3	F334 L337 Y759 S801 Y802 L803 V807 G808 L809 A831	F334-Y805 VanDerWaalsContact O-CE2 3.28Å; F334-Y805 WeakPolarHBondContact O-CE2 3.5Å; L337-Y805 HydrophobicContact CB-CD2 4.33Å; L337-Y805 HydrophobicContact CB-CE2 4.37Å; L337-Y805 HydrophobicContact CD2-CD2 3.77Å; L337-Y805 HydrophobicContact CD2-CE2 4.32Å; L337-Y805 HydrophobicContact CG-CD2 4.19Å; Y759-Y805 VanDerWaalsContact CE1-OH 3.23Å; Y759-Y805 WeakPolarHBondContact CE1-OH 3.33Å; Y759-Y805 WeakPolarHBondContact OH-CE2 3.27Å; Y759-Y805 PolarHBondContact OH-OH 3.48Å; S801-Y805 VanDerWaalsContact O-CB 3.23Å; S801-Y805 WeakPolarHBondContact O-CB 3.41Å; S801-Y805 PolarHBondContact O-N 2.88Å; Y802-Y805 PolarHBondContact O-N 3.47Å; L803-Y805 VanDerWaalsContact C-N 3.31Å; L803-Y805 PolarHBondContact O-N 3.03Å; Y805-V807 PolarHBondContact O-N 3.45Å; Y805-G808 PolarHBondContact O-N 2.9Å; Y805-G808 VanDerWaalsContact O-N 3.15Å; Y805-L809 HydrophobicContact CD1-CD1 3.83Å; Y805-L809 HydrophobicContact CD1-CG 4.34Å; Y805-L809 HydrophobicContact CE1-CD1 3.5Å; Y805-L809 HydrophobicContact CE1-CG 4.12Å; Y805-L809 WeakPolarHBondContact O-CG 3.45Å; Y805-L809 PolarHBondContact O-N 3.42Å; Y805-L809 VanDerWaalsContact O-N 3.08Å; Y805-A831 HydrophobicContact CD1-CB 3.83Å; Y805-A831 HydrophobicContact CE1-CB 4.01Å
806	I	97.8	Very high	96	Very high	22 Å²	22	21.3 Å²	21.3	11%	0.113	13%	0.13	C	C	.	.	H	α-helix	trans	-61.5	-44.4	179.1	-68.4	-64.3	0	0	0	111.3	Y802 G808 L809 I810 F828 A831	Y802-I806 HydrophobicContact CD1-CG1 4.45Å; Y802-I806 HydrophobicContact CD2-CG1 4.04Å; Y802-I806 HydrophobicContact CE1-CG1 4.08Å; Y802-I806 HydrophobicContact CE2-CD1 3.88Å; Y802-I806 HydrophobicContact CE2-CG1 3.61Å; Y802-I806 HydrophobicContact CG-CG1 4.45Å; Y802-I806 WeakPolarHBondContact O-CG1 3.35Å; Y802-I806 PolarHBondContact O-N 3.01Å; I806-G808 PolarHBondContact O-N 3.44Å; I806-L809 PolarHBondContact O-N 3.38Å; I806-I810 HydrophobicContact CG2-CD1 4.39Å; I806-I810 WeakPolarHBondContact O-CG1 3.48Å; I806-I810 PolarHBondContact O-N 2.84Å; I806-F828 HydrophobicContact CD1-CD2 3.75Å; I806-F828 HydrophobicContact CD1-CE2 3.93Å; I806-F828 HydrophobicContact CG2-CE2 4.35Å; I806-A831 HydrophobicContact CD1-CB 3.77Å
807	V	98	Very high	96.1	Very high	36 Å²	36	21.3 Å²	21.3	22%	0.218	13%	0.13	C	C	.	.	H	α-helix	trans	-60.2	-36.5	177.5	167.2	0	0	0	0	111.3	L278 M282 L803 Y805 P811	L278-V807 HydrophobicContact CB-CG1 3.49Å; L278-V807 VanDerWaalsContact CB-CG1 3.49Å; L278-V807 HydrophobicContact CG-CG1 4.46Å; M282-V807 HydrophobicContact CB-CG1 4.26Å; M282-V807 HydrophobicContact CG-CG2 4.28Å; L803-V807 WeakPolarHBondContact O-CB 3.22Å; L803-V807 VanDerWaalsContact O-CG2 3.25Å; L803-V807 WeakPolarHBondContact O-CG2 3.15Å; L803-V807 PolarHBondContact O-N 3.43Å; L803-V807 VanDerWaalsContact O-N 3.13Å; Y805-V807 PolarHBondContact O-N 3.45Å; V807-P811 WeakPolarHBondContact O-CD 3.16Å
808	G	97	Very high	96.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-67.8	-32.1	173.1	0	0	0	0	0	114.4	S275 F334 C804 Y805 I806	S275-G808 WeakPolarHBondContact CB-O 3.34Å; S275-G808 WeakPolarHBondContact OG-CA 3.31Å; S275-G808 PolarHBondContact OG-O 3.21Å; F334-G808 WeakPolarHBondContact CE1-O 3.41Å; C804-G808 PolarHBondContact O-N 2.71Å; Y805-G808 PolarHBondContact O-N 2.9Å; Y805-G808 VanDerWaalsContact O-N 3.15Å; I806-G808 PolarHBondContact O-N 3.44Å
809	L	98.1	Very high	96	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-76.8	-31.4	-179.9	-70	178.6	0	0	0	113.5	F334 Y805 I806 L812 F824 L827 F828	F334-L809 HydrophobicContact CB-CD2 4.5Å; F334-L809 HydrophobicContact CD1-CD2 3.58Å; F334-L809 HydrophobicContact CE1-CD2 4.03Å; F334-L809 HydrophobicContact CG-CD2 4.06Å; Y805-L809 HydrophobicContact CD1-CD1 3.83Å; Y805-L809 HydrophobicContact CD1-CG 4.34Å; Y805-L809 HydrophobicContact CE1-CD1 3.5Å; Y805-L809 HydrophobicContact CE1-CG 4.12Å; Y805-L809 WeakPolarHBondContact O-CG 3.45Å; Y805-L809 PolarHBondContact O-N 3.42Å; Y805-L809 VanDerWaalsContact O-N 3.08Å; I806-L809 PolarHBondContact O-N 3.38Å; L809-L812 WeakPolarHBondContact O-CB 3.37Å; L809-L812 PolarHBondContact O-N 3.41Å; L809-F824 HydrophobicContact CB-CD2 4.16Å; L809-F824 HydrophobicContact CB-CE2 4.38Å; L809-F824 WeakPolarHBondContact O-CD2 3.49Å; L809-L827 HydrophobicContact CD1-CB 3.86Å; L809-L827 HydrophobicContact CD2-CB 3.86Å; L809-L827 HydrophobicContact CD2-CD1 3.89Å; L809-F828 HydrophobicContact CD1-CB 4.37Å
810	I	96.8	Very high	96	Very high	95 Å²	95	22.2 Å²	22.2	49%	0.487	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-51.8	-46.7	-172.3	-72.9	166.3	0	0	0	113.5	I806 L812 A813	I806-I810 HydrophobicContact CG2-CD1 4.39Å; I806-I810 WeakPolarHBondContact O-CG1 3.48Å; I806-I810 PolarHBondContact O-N 2.84Å; I810-L812 PolarHBondContact O-N 3.26Å; I810-A813 WeakPolarHBondContact O-CB 3.49Å; I810-A813 PolarHBondContact O-N 3.39Å; I810-A813 VanDerWaalsContact O-N 3.12Å
811	P	97.6	Very high	96	Very high	11 Å²	11	23.6 Å²	23.6	7%	0.071	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-61.1	-26.1	179.7	-27.8	38.4	0	0	0	114.7	Y271 T274 L278 V807 A813 A814	Y271-P811 WeakPolarHBondContact CD1-O 3.35Å; Y271-P811 WeakPolarHBondContact O-CB 3.35Å; T274-P811 HydrophobicContact CG2-CB 4.5Å; T274-P811 HydrophobicContact CG2-CG 4.1Å; L278-P811 HydrophobicContact CD1-CG 3.75Å; V807-P811 WeakPolarHBondContact O-CD 3.16Å; P811-A813 VanDerWaalsContact C-N 3.25Å; P811-A813 PolarHBondContact O-N 3.28Å; P811-A814 PolarHBondContact O-N 2.81Å
812	L	96	Very high	96	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.021	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-65.1	-29.8	177.3	-97.2	58.8	0	0	0	112.4	L272 F334 L809 I810 A814 V815 L823 F824	L272-L812 HydrophobicContact CD2-CD1 3.83Å; F334-L812 HydrophobicContact CD2-CD2 4.13Å; F334-L812 HydrophobicContact CE1-CD1 4.3Å; F334-L812 HydrophobicContact CE1-CD2 4.45Å; F334-L812 HydrophobicContact CE2-CD1 3.85Å; F334-L812 HydrophobicContact CE2-CD2 3.51Å; F334-L812 HydrophobicContact CE2-CG 4.31Å; F334-L812 HydrophobicContact CZ-CD1 3.38Å; F334-L812 HydrophobicContact CZ-CD2 3.71Å; F334-L812 HydrophobicContact CZ-CG 4.19Å; L809-L812 WeakPolarHBondContact O-CB 3.37Å; L809-L812 PolarHBondContact O-N 3.41Å; I810-L812 PolarHBondContact O-N 3.26Å; L812-A814 PolarHBondContact O-N 2.7Å; L812-V815 PolarHBondContact O-N 3.15Å; L812-L823 HydrophobicContact CD2-CB 4.41Å; L812-F824 HydrophobicContact CB-CB 4.05Å
813	A	95	Very high	96	Very high	46 Å²	46	23 Å²	23	38%	0.38	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-63.3	-22.7	178.4	0	0	0	0	0	113	I810 P811 F824	I810-A813 WeakPolarHBondContact O-CB 3.49Å; I810-A813 PolarHBondContact O-N 3.39Å; I810-A813 VanDerWaalsContact O-N 3.12Å; P811-A813 VanDerWaalsContact C-N 3.25Å; P811-A813 PolarHBondContact O-N 3.28Å; A813-F824 HydrophobicContact CB-CD1 3.64Å; A813-F824 HydrophobicContact CB-CD2 3.92Å; A813-F824 HydrophobicContact CB-CE1 3.59Å; A813-F824 HydrophobicContact CB-CE2 3.87Å; A813-F824 HydrophobicContact CB-CG 3.81Å; A813-F824 HydrophobicContact CB-CZ 3.71Å
814	A	96	Very high	96	Very high	62 Å²	62	21.7 Å²	21.7	51%	0.512	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-96.4	-3.7	-179	0	0	0	0	0	113.4	Y271 P811 L812	Y271-A814 HydrophobicContact CD1-CB 4.07Å; Y271-A814 HydrophobicContact CE1-CB 3.63Å; Y271-A814 WeakPolarHBondContact CE1-O 3.45Å; Y271-A814 PolarHBondContact OH-O 3.49Å; P811-A814 PolarHBondContact O-N 2.81Å; L812-A814 PolarHBondContact O-N 2.7Å
815	V	96	Very high	96	Very high	3 Å²	3	25 Å²	25	2%	0.018	15%	0.148	C	C	.	.	S	Bend	trans	-73.3	127.6	177.5	-179.9	0	0	0	0	108.8	V267 Y271 L812 S817 T820	V267-V815 HydrophobicContact CG1-CG1 4.25Å; Y271-V815 HydrophobicContact CD1-CG2 4.02Å; Y271-V815 HydrophobicContact CD2-CB 4.41Å; Y271-V815 HydrophobicContact CD2-CG2 3.61Å; Y271-V815 HydrophobicContact CE2-CG2 4.27Å; Y271-V815 HydrophobicContact CG-CG2 3.45Å; Y271-V815 VanDerWaalsContact CG-CG2 3.45Å; L812-V815 PolarHBondContact O-N 3.15Å; V815-S817 PolarHBondContact O-N 2.71Å; V815-T820 HydrophobicContact CB-CG2 4.28Å; V815-T820 VanDerWaalsContact CB-OG1 3.29Å; V815-T820 WeakPolarHBondContact CB-OG1 3.46Å; V815-T820 HydrophobicContact CG1-CG2 3.91Å; V815-T820 VanDerWaalsContact CG1-OG1 3.27Å; V815-T820 WeakPolarHBondContact CG1-OG1 3.4Å
816	P	95.4	Very high	96	Very high	53 Å²	53	25 Å²	25	34%	0.344	15%	0.148	S	C	.	.	S	Bend	trans	-78	65.2	178.2	30.8	-32.5	0	0	0	111.2	V267 A533 T534	V267-P816 HydrophobicContact CG1-CG 3.6Å; A533-P816 WeakPolarHBondContact CA-O 3.36Å; T534-P816 PolarHBondContact N-O 3.37Å; T534-P816 WeakPolarHBondContact OG1-CB 3.42Å; T534-P816 PolarHBondContact OG1-O 3.35Å
817	S	94.4	Very high	96	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-145.1	136.7	172.3	171.2	0	0	0	0	111.6	T264 V532 V815 L819 T820 C821	T264-S817 WeakPolarHBondContact CG2-OG 3.38Å; T264-S817 PolarHBondContact OG1-OG 3.05Å; V532-S817 PolarHBondContact O-OG 3.37Å; V815-S817 PolarHBondContact O-N 2.71Å; S817-L819 VanDerWaalsContact C-N 3.29Å; S817-L819 PolarHBondContact O-N 3.08Å; S817-L819 PolarHBondContact OG-N 3.24Å; S817-T820 WeakPolarHBondContact CB-OG1 3.41Å; S817-T820 PolarHBondContact O-N 2.86Å; S817-T820 PolarHBondContact O-OG1 2.86Å; S817-C821 WeakPolarHBondContact O-CB 3.17Å; S817-C821 PolarHBondContact O-N 2.84Å; S817-C821 PolarHBondContact O-SG 3.45Å
818	N	92.5	Very high	96	Very high	46 Å²	46	24.7 Å²	24.7	25%	0.246	14%	0.143	C	C	.	.	H	α-helix	trans	-64.2	-38.3	177.3	-72.2	-24.5	0	0	0	110.9	S529 N530 V532 T534 T820 C821 T822	S529-N818 PolarHBondContact O-ND2 3.2Å; N530-N818 CarbonylContact O-C 3.44Å; N530-N818 WeakPolarHBondContact O-CB 3.45Å; V532-N818 PolarHBondContact O-N 2.69Å; V532-N818 VanDerWaalsContact O-N 3.1Å; T534-N818 WeakPolarHBondContact CG2-OD1 3.49Å; N818-T820 PolarHBondContact O-N 3.49Å; N818-C821 WeakPolarHBondContact O-CB 3.43Å; N818-C821 PolarHBondContact O-N 2.87Å; N818-T822 PolarHBondContact O-N 3.12Å; N818-T822 PolarHBondContact O-OG1 3.2Å
819	L	93.2	Very high	96.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.4	-48.3	176.3	-177.2	155.3	0	0	0	111.7	F261 T264 L330 N530 I531 I752 S817 C821 T822 L823	F261-L819 HydrophobicContact CE2-CD1 3.84Å; T264-L819 HydrophobicContact CG2-CB 4.16Å; T264-L819 HydrophobicContact CG2-CD1 4.48Å; T264-L819 HydrophobicContact CG2-CD2 4.16Å; L330-L819 HydrophobicContact CD1-CD2 3.99Å; N530-L819 PolarHBondContact O-N 3.32Å; N530-L819 VanDerWaalsContact O-N 3.09Å; I531-L819 WeakPolarHBondContact O-CB 3.47Å; I531-L819 WeakPolarHBondContact O-CD1 3.48Å; I752-L819 HydrophobicContact CD1-CD1 4.02Å; I752-L819 HydrophobicContact CD1-CG 4.13Å; I752-L819 HydrophobicContact CG1-CD1 4.41Å; I752-L819 HydrophobicContact CG1-CG 4.15Å; S817-L819 VanDerWaalsContact C-N 3.29Å; S817-L819 PolarHBondContact O-N 3.08Å; S817-L819 PolarHBondContact OG-N 3.24Å; L819-C821 VanDerWaalsContact C-N 3.35Å; L819-T822 PolarHBondContact O-N 3.03Å; L819-L823 HydrophobicContact CD2-CD1 3.6Å; L819-L823 HydrophobicContact CD2-CG 4.2Å; L819-L823 WeakPolarHBondContact O-CG 3.37Å; L819-L823 PolarHBondContact O-N 2.85Å
820	T	95.2	Very high	96.1	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.012	15%	0.147	C	C	.	.	H	α-helix	trans	-71.6	-31.6	180	52.4	0	0	0	0	112.3	T264 L330 V815 S817 N818 L823 F824	T264-T820 HydrophobicContact CG2-CG2 4.19Å; L330-T820 HydrophobicContact CD1-CG2 4.22Å; V815-T820 HydrophobicContact CB-CG2 4.28Å; V815-T820 VanDerWaalsContact CB-OG1 3.29Å; V815-T820 WeakPolarHBondContact CB-OG1 3.46Å; V815-T820 HydrophobicContact CG1-CG2 3.91Å; V815-T820 VanDerWaalsContact CG1-OG1 3.27Å; V815-T820 WeakPolarHBondContact CG1-OG1 3.4Å; S817-T820 WeakPolarHBondContact CB-OG1 3.41Å; S817-T820 PolarHBondContact O-N 2.86Å; S817-T820 PolarHBondContact O-OG1 2.86Å; N818-T820 PolarHBondContact O-N 3.49Å; T820-L823 PolarHBondContact O-N 3.04Å; T820-F824 WeakPolarHBondContact O-CB 3.25Å; T820-F824 PolarHBondContact O-N 3.24Å
821	C	94.9	Very high	96.2	Very high	29 Å²	29	20.8 Å²	20.8	20%	0.196	12%	0.124	C	C	.	.	H	α-helix	trans	-62.3	-45.2	170.9	-74.5	0	0	0	0	111.5	S817 N818 L819 F824 R825	S817-C821 WeakPolarHBondContact O-CB 3.17Å; S817-C821 PolarHBondContact O-N 2.84Å; S817-C821 PolarHBondContact O-SG 3.45Å; N818-C821 WeakPolarHBondContact O-CB 3.43Å; N818-C821 PolarHBondContact O-N 2.87Å; L819-C821 VanDerWaalsContact C-N 3.35Å; C821-F824 PolarHBondContact O-N 2.7Å; C821-R825 WeakPolarHBondContact O-CB 3.38Å; C821-R825 VanDerWaalsContact O-CG 3.31Å; C821-R825 WeakPolarHBondContact O-CG 3.46Å; C821-R825 PolarHBondContact O-N 3.14Å
822	T	94.3	Very high	96.2	Very high	13 Å²	13	24 Å²	24	8%	0.08	14%	0.137	C	C	.	.	H	α-helix	trans	-61.7	-49.5	174.8	-63.5	0	0	0	0	110.8	V747 I752 N818 L819 F824 R825 C826	V747-T822 HydrophobicContact CG1-CG2 3.82Å; I752-T822 HydrophobicContact CB-CG2 4.12Å; I752-T822 HydrophobicContact CG2-CG2 4Å; N818-T822 PolarHBondContact O-N 3.12Å; N818-T822 PolarHBondContact O-OG1 3.2Å; L819-T822 PolarHBondContact O-N 3.03Å; T822-F824 PolarHBondContact O-N 3.38Å; T822-R825 PolarHBondContact O-N 2.84Å; T822-C826 WeakPolarHBondContact O-CB 3.4Å; T822-C826 PolarHBondContact O-N 3.18Å; T822-C826 PolarHBondContact O-SG 3.45Å; T822-C826 VanDerWaalsContact O-SG 3.34Å
823	L	95.7	Very high	96.3	Very high	5 Å²	5	24.1 Å²	24.1	3%	0.026	14%	0.137	C	C	.	.	H	α-helix	trans	-54	-49.9	175	-77	176.6	0	0	0	111.8	L330 I752 L812 L819 T820 L827	L330-L823 HydrophobicContact CB-CD1 4Å; I752-L823 HydrophobicContact CG2-CD2 3.45Å; I752-L823 VanDerWaalsContact CG2-CD2 3.45Å; I752-L823 HydrophobicContact CG2-CG 3.63Å; L812-L823 HydrophobicContact CD2-CB 4.41Å; L819-L823 HydrophobicContact CD2-CD1 3.6Å; L819-L823 HydrophobicContact CD2-CG 4.2Å; L819-L823 WeakPolarHBondContact O-CG 3.37Å; L819-L823 PolarHBondContact O-N 2.85Å; T820-L823 PolarHBondContact O-N 3.04Å; L823-L827 VanDerWaalsContact O-CB 3.27Å; L823-L827 WeakPolarHBondContact O-CB 3.24Å; L823-L827 WeakPolarHBondContact O-CG 3.49Å; L823-L827 PolarHBondContact O-N 2.83Å
824	F	97.5	Very high	96.4	Very high	29 Å²	29	22 Å²	22	13%	0.127	12%	0.12	C	C	.	.	H	α-helix	trans	-58.2	-53.8	178.9	167.2	-105.4	0	0	0	111.5	W745 L809 L812 A813 T820 C821 T822 C826 F828	W745-F824 HydrophobicContact CH2-CE1 4.05Å; W745-F824 HydrophobicContact CZ2-CE1 4.38Å; L809-F824 HydrophobicContact CB-CD2 4.16Å; L809-F824 HydrophobicContact CB-CE2 4.38Å; L809-F824 WeakPolarHBondContact O-CD2 3.49Å; L812-F824 HydrophobicContact CB-CB 4.05Å; A813-F824 HydrophobicContact CB-CD1 3.64Å; A813-F824 HydrophobicContact CB-CD2 3.92Å; A813-F824 HydrophobicContact CB-CE1 3.59Å; A813-F824 HydrophobicContact CB-CE2 3.87Å; A813-F824 HydrophobicContact CB-CG 3.81Å; A813-F824 HydrophobicContact CB-CZ 3.71Å; T820-F824 WeakPolarHBondContact O-CB 3.25Å; T820-F824 PolarHBondContact O-N 3.24Å; C821-F824 PolarHBondContact O-N 2.7Å; T822-F824 PolarHBondContact O-N 3.38Å; F824-C826 PolarHBondContact O-N 3.14Å; F824-F828 HydrophobicContact CE2-CB 4.23Å; F824-F828 HydrophobicContact CE2-CD2 4.21Å; F824-F828 HydrophobicContact CE2-CG 4.42Å; F824-F828 HydrophobicContact CZ-CB 4.4Å; F824-F828 HydrophobicContact CZ-CD2 4.3Å; F824-F828 HydrophobicContact CZ-CG 4.33Å; F824-F828 WeakPolarHBondContact O-CB 3.37Å; F824-F828 PolarHBondContact O-N 3.1Å
825	R	97.6	Very high	96.5	Very high	69 Å²	69	21.2 Å²	21.2	26%	0.26	11%	0.105	S	C	.	.	H	α-helix	trans	-61.5	-47.3	-175.9	-71	177.3	-170.7	168.4	11	111.4	W745 K746 V747 C821 T822 L829	W745-R825 HydrophobicContact CD2-CB 4.27Å; W745-R825 HydrophobicContact CD2-CG 3.84Å; W745-R825 HydrophobicContact CE3-CB 3.87Å; W745-R825 HydrophobicContact CE3-CG 3.88Å; W745-R825 HydrophobicContact CG-CG 4.44Å; W745-R825 HydrophobicContact CH2-CG 4.2Å; W745-R825 HydrophobicContact CZ2-CG 4.16Å; W745-R825 HydrophobicContact CZ3-CB 4.08Å; W745-R825 HydrophobicContact CZ3-CG 4.05Å; W745-R825 PolarHBondContact O-NH1 2.69Å; K746-R825 PolarHBondContact O-NH1 3.42Å; V747-R825 HydrophobicContact CG2-CB 3.84Å; V747-R825 HydrophobicContact CG2-CG 4.28Å; C821-R825 WeakPolarHBondContact O-CB 3.38Å; C821-R825 VanDerWaalsContact O-CG 3.31Å; C821-R825 WeakPolarHBondContact O-CG 3.46Å; C821-R825 PolarHBondContact O-N 3.14Å; T822-R825 PolarHBondContact O-N 2.84Å; R825-L829 WeakPolarHBondContact O-CB 3.03Å; R825-L829 VanDerWaalsContact O-CG 3.23Å; R825-L829 WeakPolarHBondContact O-CG 3.29Å; R825-L829 PolarHBondContact O-N 3.18Å
826	C	97.5	Very high	96.5	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-64	-51.4	179.6	-66.5	0	0	0	0	111.8	M742 C756 T822 F824 F828 L829 I830	M742-C826 HydrophobicContact SD-CB 4.43Å; M742-C826 VanDerWaalsContact SD-SG 3.62Å; C756-C826 HydrophobicContact CB-CB 3.46Å; C756-C826 VanDerWaalsContact CB-CB 3.46Å; T822-C826 WeakPolarHBondContact O-CB 3.4Å; T822-C826 PolarHBondContact O-N 3.18Å; T822-C826 PolarHBondContact O-SG 3.45Å; T822-C826 VanDerWaalsContact O-SG 3.34Å; F824-C826 PolarHBondContact O-N 3.14Å; C826-F828 VanDerWaalsContact C-N 3.33Å; C826-F828 PolarHBondContact O-N 3.05Å; C826-L829 PolarHBondContact O-N 3.14Å; C826-I830 WeakPolarHBondContact O-CD1 3.49Å; C826-I830 VanDerWaalsContact O-CG1 3.26Å; C826-I830 WeakPolarHBondContact O-CG1 3.49Å; C826-I830 PolarHBondContact O-N 3.41Å
827	L	98	Very high	96.5	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-67.1	-34.8	-177.9	-63.9	177.3	0	0	0	112.4	F334 C756 Y759 L809 L823 I830 A831	F334-L827 HydrophobicContact CB-CD1 3.74Å; F334-L827 HydrophobicContact CG-CD1 4.22Å; C756-L827 HydrophobicContact CB-CD2 4.17Å; Y759-L827 HydrophobicContact CD1-CD2 3.49Å; Y759-L827 VanDerWaalsContact CD1-CD2 3.49Å; Y759-L827 HydrophobicContact CE1-CD2 3.74Å; L809-L827 HydrophobicContact CD1-CB 3.86Å; L809-L827 HydrophobicContact CD2-CB 3.86Å; L809-L827 HydrophobicContact CD2-CD1 3.89Å; L823-L827 VanDerWaalsContact O-CB 3.27Å; L823-L827 WeakPolarHBondContact O-CB 3.24Å; L823-L827 WeakPolarHBondContact O-CG 3.49Å; L823-L827 PolarHBondContact O-N 2.83Å; L827-I830 HydrophobicContact CD2-CD1 4.46Å; L827-A831 WeakPolarHBondContact O-CB 3.46Å; L827-A831 PolarHBondContact O-N 3.11Å
828	F	98.4	Very high	96.6	Very high	49 Å²	49	21.8 Å²	21.8	22%	0.215	10%	0.102	C	C	.	.	H	α-helix	trans	-65.9	-46.6	173.9	-179.5	-89.5	0	0	0	111.2	W745 I806 L809 F824 C826 I830 A831 F832	W745-F828 HydrophobicContact CH2-CD1 4.01Å; W745-F828 HydrophobicContact CH2-CE1 4.44Å; W745-F828 AromaticContact CZ3-CD1 3.92Å; W745-F828 HydrophobicContact CZ3-CD1 3.92Å; I806-F828 HydrophobicContact CD1-CD2 3.75Å; I806-F828 HydrophobicContact CD1-CE2 3.93Å; I806-F828 HydrophobicContact CG2-CE2 4.35Å; L809-F828 HydrophobicContact CD1-CB 4.37Å; F824-F828 HydrophobicContact CE2-CB 4.23Å; F824-F828 HydrophobicContact CE2-CD2 4.21Å; F824-F828 HydrophobicContact CE2-CG 4.42Å; F824-F828 HydrophobicContact CZ-CB 4.4Å; F824-F828 HydrophobicContact CZ-CD2 4.3Å; F824-F828 HydrophobicContact CZ-CG 4.33Å; F824-F828 WeakPolarHBondContact O-CB 3.37Å; F824-F828 PolarHBondContact O-N 3.1Å; C826-F828 VanDerWaalsContact C-N 3.33Å; C826-F828 PolarHBondContact O-N 3.05Å; F828-I830 PolarHBondContact O-N 3.34Å; F828-A831 PolarHBondContact O-N 3.35Å; F828-F832 HydrophobicContact CE1-CB 4.37Å; F828-F832 HydrophobicContact CE1-CD2 4.42Å; F828-F832 HydrophobicContact CE1-CG 4.5Å; F828-F832 HydrophobicContact CZ-CD2 4.4Å; F828-F832 WeakPolarHBondContact O-CB 3.25Å; F828-F832 PolarHBondContact O-N 3.41Å
829	L	98.5	Very high	96.7	Very high	14 Å²	14	19.9 Å²	19.9	7%	0.073	9%	0.091	C	C	.	.	H	α-helix	trans	-60.5	-45	176.5	-76.5	175	0	0	0	111.5	V738 F741 M742 W745 R825 C826 A831 F832 V833	V738-L829 HydrophobicContact CG1-CB 4.39Å; F741-L829 HydrophobicContact CB-CD1 3.89Å; F741-L829 HydrophobicContact CB-CD2 3.8Å; F741-L829 HydrophobicContact CB-CG 4.47Å; M742-L829 HydrophobicContact CB-CD1 4.41Å; M742-L829 HydrophobicContact CG-CD1 3.8Å; W745-L829 HydrophobicContact CE3-CD1 3.9Å; W745-L829 HydrophobicContact CE3-CD2 4.03Å; W745-L829 HydrophobicContact CE3-CG 3.83Å; W745-L829 HydrophobicContact CZ3-CD1 4.48Å; W745-L829 HydrophobicContact CZ3-CD2 4.12Å; W745-L829 HydrophobicContact CZ3-CG 3.92Å; R825-L829 WeakPolarHBondContact O-CB 3.03Å; R825-L829 VanDerWaalsContact O-CG 3.23Å; R825-L829 WeakPolarHBondContact O-CG 3.29Å; R825-L829 PolarHBondContact O-N 3.18Å; C826-L829 PolarHBondContact O-N 3.14Å; L829-A831 PolarHBondContact O-N 3.36Å; L829-F832 PolarHBondContact O-N 2.74Å; L829-V833 VanDerWaalsContact O-CB 3.28Å; L829-V833 WeakPolarHBondContact O-CB 3.23Å; L829-V833 VanDerWaalsContact O-CG2 3.23Å; L829-V833 WeakPolarHBondContact O-CG2 3.36Å; L829-V833 PolarHBondContact O-N 3.27Å
830	I	98.3	Very high	96.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-56.2	-51.6	175.7	-72.2	163.3	0	0	0	110.4	V738 C756 Y759 Y763 C826 L827 F828 F832 T834	V738-I830 HydrophobicContact CG1-CG1 3.79Å; V738-I830 HydrophobicContact CG2-CG1 4Å; C756-I830 HydrophobicContact CB-CD1 4.07Å; C756-I830 WeakPolarHBondContact O-CD1 3.34Å; Y759-I830 HydrophobicContact CD1-CD1 4.44Å; Y763-I830 HydrophobicContact CD1-CG2 3.77Å; Y763-I830 HydrophobicContact CG-CG2 4.15Å; C826-I830 WeakPolarHBondContact O-CD1 3.49Å; C826-I830 VanDerWaalsContact O-CG1 3.26Å; C826-I830 WeakPolarHBondContact O-CG1 3.49Å; C826-I830 PolarHBondContact O-N 3.41Å; L827-I830 HydrophobicContact CD2-CD1 4.46Å; F828-I830 PolarHBondContact O-N 3.34Å; I830-F832 PolarHBondContact O-N 2.65Å; I830-T834 WeakPolarHBondContact O-CB 3.3Å; I830-T834 PolarHBondContact O-N 3.08Å; I830-T834 PolarHBondContact O-OG1 2.83Å
831	A	98	Very high	96.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61.1	-46.6	-179.6	0	0	0	0	0	111.7	Y763 Y802 Y805 I806 L827 F828 L829 F835	Y763-A831 HydrophobicContact CE1-CB 4.31Å; Y802-A831 HydrophobicContact CD2-CB 4.31Å; Y802-A831 HydrophobicContact CE2-CB 4.11Å; Y802-A831 WeakPolarHBondContact CE2-O 3.23Å; Y805-A831 HydrophobicContact CD1-CB 3.83Å; Y805-A831 HydrophobicContact CE1-CB 4.01Å; I806-A831 HydrophobicContact CD1-CB 3.77Å; L827-A831 WeakPolarHBondContact O-CB 3.46Å; L827-A831 PolarHBondContact O-N 3.11Å; F828-A831 PolarHBondContact O-N 3.35Å; L829-A831 PolarHBondContact O-N 3.36Å; A831-F835 VanDerWaalsContact O-CB 3.28Å; A831-F835 WeakPolarHBondContact O-CB 3.22Å; A831-F835 PolarHBondContact O-N 3.12Å
832	F	97.7	Very high	96.6	Very high	79 Å²	79	19.5 Å²	19.5	35%	0.346	9%	0.089	S	C	.	.	H	α-helix	trans	-65.5	-50.7	-177.9	-175.5	-96.6	0	0	0	112.2	F828 L829 I830 F835 F836	F828-F832 HydrophobicContact CE1-CB 4.37Å; F828-F832 HydrophobicContact CE1-CD2 4.42Å; F828-F832 HydrophobicContact CE1-CG 4.5Å; F828-F832 HydrophobicContact CZ-CD2 4.4Å; F828-F832 WeakPolarHBondContact O-CB 3.25Å; F828-F832 PolarHBondContact O-N 3.41Å; L829-F832 PolarHBondContact O-N 2.74Å; I830-F832 PolarHBondContact O-N 2.65Å; F832-F835 WeakPolarHBondContact O-CB 3.36Å; F832-F835 PolarHBondContact O-N 2.98Å; F832-F836 HydrophobicContact CD1-CD2 4.04Å; F832-F836 HydrophobicContact CD1-CE2 4.08Å; F832-F836 HydrophobicContact CD2-CE2 4.03Å; F832-F836 AromaticContact CE1-CD2 3.83Å; F832-F836 HydrophobicContact CE1-CD2 3.83Å; F832-F836 AromaticContact CE1-CE2 3.55Å; F832-F836 HydrophobicContact CE1-CE2 3.55Å; F832-F836 HydrophobicContact CE2-CD2 4.38Å; F832-F836 AromaticContact CE2-CE2 3.52Å; F832-F836 HydrophobicContact CE2-CE2 3.52Å; F832-F836 HydrophobicContact CE2-CZ 4.38Å; F832-F836 HydrophobicContact CG-CD2 4.41Å; F832-F836 HydrophobicContact CG-CE2 4.3Å; F832-F836 HydrophobicContact CZ-CD2 4.03Å; F832-F836 AromaticContact CZ-CE2 3.27Å; F832-F836 HydrophobicContact CZ-CE2 3.27Å; F832-F836 HydrophobicContact CZ-CZ 4.09Å; F832-F836 WeakPolarHBondContact O-CD2 3.44Å; F832-F836 PolarHBondContact O-N 3.05Å; F832-F836 VanDerWaalsContact O-N 3.15Å
833	V	98.3	Very high	96.5	Very high	6 Å²	6	19 Å²	19	4%	0.036	9%	0.085	C	C	.	.	H	α-helix	trans	-64.7	-43.4	-179.7	175.8	0	0	0	0	110.5	Y511 V734 V738 L829 F835 F836 H837	Y511-V833 HydrophobicContact CE2-CG1 3.75Å; Y511-V833 HydrophobicContact CE2-CG2 4.28Å; Y511-V833 VanDerWaalsContact OH-CG1 3.22Å; Y511-V833 WeakPolarHBondContact OH-CG1 3.16Å; V734-V833 HydrophobicContact CB-CG1 4.27Å; V734-V833 HydrophobicContact CG1-CB 4.46Å; V734-V833 HydrophobicContact CG1-CG1 3.96Å; V734-V833 HydrophobicContact CG2-CG1 4.16Å; V738-V833 HydrophobicContact CG2-CB 4.19Å; V738-V833 HydrophobicContact CG2-CG1 4.47Å; V738-V833 HydrophobicContact CG2-CG2 4.27Å; L829-V833 VanDerWaalsContact O-CB 3.28Å; L829-V833 WeakPolarHBondContact O-CB 3.23Å; L829-V833 VanDerWaalsContact O-CG2 3.23Å; L829-V833 WeakPolarHBondContact O-CG2 3.36Å; L829-V833 PolarHBondContact O-N 3.27Å; V833-F835 VanDerWaalsContact C-N 3.31Å; V833-F835 PolarHBondContact O-N 3.15Å; V833-F836 PolarHBondContact O-N 3.36Å; V833-H837 PolarHBondContact O-N 2.78Å; V833-H837 PolarHBondContact O-ND1 3.3Å
834	T	97.8	Very high	96.2	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.006	9%	0.085	C	C	.	.	H	α-helix	trans	-59.9	-41.9	175.2	-59.3	0	0	0	0	111.5	Y763 T764 N767 I830 F836 H837 C838	Y763-T834 HydrophobicContact CD1-CG2 3.91Å; Y763-T834 HydrophobicContact CE1-CG2 3.91Å; T764-T834 PolarHBondContact OG1-OG1 3.01Å; N767-T834 HydrophobicContact CB-CG2 4.02Å; I830-T834 WeakPolarHBondContact O-CB 3.3Å; I830-T834 PolarHBondContact O-N 3.08Å; I830-T834 PolarHBondContact O-OG1 2.83Å; T834-F836 PolarHBondContact O-N 3.38Å; T834-H837 PolarHBondContact O-N 3.29Å; T834-C838 WeakPolarHBondContact O-CB 3.4Å; T834-C838 PolarHBondContact O-N 2.81Å
835	F	96.9	Very high	95.8	Very high	45 Å²	45	19.8 Å²	19.8	20%	0.197	9%	0.091	C	C	.	.	H	α-helix	trans	-59.5	-47.3	178.2	178.2	-94.8	0	0	0	111.9	L799 Y802 A831 F832 V833 H837 C838 F839	L799-F835 HydrophobicContact CD1-CE2 3.78Å; L799-F835 HydrophobicContact CD1-CZ 4.23Å; Y802-F835 AromaticContact CD1-CD2 3.72Å; Y802-F835 HydrophobicContact CD1-CD2 3.72Å; Y802-F835 AromaticContact CD1-CE2 3.95Å; Y802-F835 HydrophobicContact CD1-CE2 3.95Å; Y802-F835 HydrophobicContact CD1-CG 4.3Å; Y802-F835 HydrophobicContact CD2-CB 3.88Å; Y802-F835 AromaticContact CD2-CD2 3.98Å; Y802-F835 HydrophobicContact CD2-CD2 3.98Å; Y802-F835 HydrophobicContact CD2-CG 4.17Å; Y802-F835 AromaticContact CE1-CD2 3.98Å; Y802-F835 HydrophobicContact CE1-CD2 3.98Å; Y802-F835 HydrophobicContact CE1-CE2 4.24Å; Y802-F835 HydrophobicContact CE1-CG 4.13Å; Y802-F835 HydrophobicContact CE2-CB 3.65Å; Y802-F835 HydrophobicContact CE2-CD2 4.22Å; Y802-F835 AromaticContact CE2-CG 3.99Å; Y802-F835 HydrophobicContact CE2-CG 3.99Å; Y802-F835 HydrophobicContact CG-CB 4.48Å; Y802-F835 AromaticContact CG-CD2 3.71Å; Y802-F835 HydrophobicContact CG-CD2 3.71Å; Y802-F835 HydrophobicContact CG-CE2 4.33Å; Y802-F835 HydrophobicContact CG-CG 4.31Å; Y802-F835 AromaticContact CZ-CG 3.96Å; A831-F835 VanDerWaalsContact O-CB 3.28Å; A831-F835 WeakPolarHBondContact O-CB 3.22Å; A831-F835 PolarHBondContact O-N 3.12Å; F832-F835 WeakPolarHBondContact O-CB 3.36Å; F832-F835 PolarHBondContact O-N 2.98Å; V833-F835 VanDerWaalsContact C-N 3.31Å; V833-F835 PolarHBondContact O-N 3.15Å; F835-H837 VanDerWaalsContact C-N 3.32Å; F835-H837 PolarHBondContact O-N 3.48Å; F835-C838 PolarHBondContact O-N 2.66Å; F835-F839 AromaticContact CD2-CD2 3.51Å; F835-F839 HydrophobicContact CD2-CD2 3.51Å; F835-F839 AromaticContact CD2-CE2 3.67Å; F835-F839 HydrophobicContact CD2-CE2 3.67Å; F835-F839 AromaticContact CE2-CD2 3.34Å; F835-F839 HydrophobicContact CE2-CD2 3.34Å; F835-F839 AromaticContact CE2-CE2 3.41Å; F835-F839 HydrophobicContact CE2-CE2 3.41Å; F835-F839 VanDerWaalsContact CE2-CE2 3.41Å; F835-F839 HydrophobicContact CE2-CG 4.06Å; F835-F839 HydrophobicContact CE2-CZ 4.19Å; F835-F839 HydrophobicContact CG-CD2 4.19Å; F835-F839 AromaticContact CZ-CD2 3.9Å; F835-F839 HydrophobicContact CZ-CD2 3.9Å; F835-F839 HydrophobicContact CZ-CE2 4.3Å; F835-F839 HydrophobicContact CZ-CG 4.19Å; F835-F839 WeakPolarHBondContact O-CB 3.49Å; F835-F839 PolarHBondContact O-N 3.4Å
836	F	96.3	Very high	95.2	Very high	63 Å²	63	16.6 Å²	16.6	28%	0.276	8%	0.079	S	C	.	.	H	α-helix	trans	-64.7	-35.6	176.1	-82.5	-75.8	0	0	0	113.1	F507 F832 V833 T834 A840 I841	F507-F836 HydrophobicContact CE1-CB 4.39Å; F507-F836 AromaticContact CE1-CD1 3.86Å; F507-F836 HydrophobicContact CE1-CD1 3.86Å; F507-F836 HydrophobicContact CE1-CE1 4.45Å; F507-F836 HydrophobicContact CE1-CG 4.17Å; F507-F836 AromaticContact CZ-CD1 3.96Å; F507-F836 HydrophobicContact CZ-CD1 3.96Å; F507-F836 HydrophobicContact CZ-CE1 4.17Å; F507-F836 HydrophobicContact CZ-CG 4.25Å; F832-F836 HydrophobicContact CD1-CD2 4.04Å; F832-F836 HydrophobicContact CD1-CE2 4.08Å; F832-F836 HydrophobicContact CD2-CE2 4.03Å; F832-F836 AromaticContact CE1-CD2 3.83Å; F832-F836 HydrophobicContact CE1-CD2 3.83Å; F832-F836 AromaticContact CE1-CE2 3.55Å; F832-F836 HydrophobicContact CE1-CE2 3.55Å; F832-F836 HydrophobicContact CE2-CD2 4.38Å; F832-F836 AromaticContact CE2-CE2 3.52Å; F832-F836 HydrophobicContact CE2-CE2 3.52Å; F832-F836 HydrophobicContact CE2-CZ 4.38Å; F832-F836 HydrophobicContact CG-CD2 4.41Å; F832-F836 HydrophobicContact CG-CE2 4.3Å; F832-F836 HydrophobicContact CZ-CD2 4.03Å; F832-F836 AromaticContact CZ-CE2 3.27Å; F832-F836 HydrophobicContact CZ-CE2 3.27Å; F832-F836 HydrophobicContact CZ-CZ 4.09Å; F832-F836 WeakPolarHBondContact O-CD2 3.44Å; F832-F836 PolarHBondContact O-N 3.05Å; F832-F836 VanDerWaalsContact O-N 3.15Å; V833-F836 PolarHBondContact O-N 3.36Å; T834-F836 PolarHBondContact O-N 3.38Å; F836-A840 WeakPolarHBondContact O-CA 3.02Å; F836-A840 WeakPolarHBondContact O-CB 3.39Å; F836-A840 PolarHBondContact O-N 2.96Å; F836-I841 PolarHBondContact O-N 2.59Å
837	H	96.4	Very high	94.6	Very high	4 Å²	4	17 Å²	17	2%	0.019	8%	0.082	C	C	.	.	I	π-helix	trans	-63.2	-49.1	173.9	-77.7	75.6	0	0	0	111	Y508 Y511 T730 S733 V734 V833 T834 F835 L842	Y508-H837 AromaticContact CE2-NE2 3.99Å; Y511-H837 AromaticContact CE1-CE1 3.77Å; Y511-H837 AromaticContact CE1-NE2 4Å; Y511-H837 AromaticContact CZ-CE1 3.55Å; Y511-H837 PolarHBondContact OH-CE1 3.45Å; T730-H837 HydrophobicContact CG2-CB 4.03Å; S733-H837 PolarHBondContact OG-NE2 3.03Å; V734-H837 HydrophobicContact CG2-CB 4.09Å; V833-H837 PolarHBondContact O-N 2.78Å; V833-H837 PolarHBondContact O-ND1 3.3Å; T834-H837 PolarHBondContact O-N 3.29Å; F835-H837 VanDerWaalsContact C-N 3.32Å; F835-H837 PolarHBondContact O-N 3.48Å; H837-L842 WeakPolarHBondContact O-CB 3.42Å; H837-L842 PolarHBondContact O-N 3.07Å
838	C	94.9	Very high	93.8	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.007	11%	0.105	C	C	.	.	I	π-helix	trans	-67.1	-41.5	-176.8	-166.2	0	0	0	0	113.2	M771 T834 F835 P843	M771-C838 WeakPolarHBondContact CE-O 3.3Å; T834-C838 WeakPolarHBondContact O-CB 3.4Å; T834-C838 PolarHBondContact O-N 2.81Å; F835-C838 PolarHBondContact O-N 2.66Å; C838-P843 VanDerWaalsContact O-CD 3.3Å; C838-P843 WeakPolarHBondContact O-CD 3.34Å; C838-P843 WeakPolarHBondContact O-CG 3.26Å
839	F	95	Very high	92.2	Very high	7 Å²	7	23.4 Å²	23.4	3%	0.031	11%	0.112	C	C	.	.	I	π-helix	trans	-96.6	-26	-172.8	-79.3	-87.5	0	0	0	114.4	L487 Y491 L791 G795 I798 L799 F835 P843	L487-F839 HydrophobicContact CD1-CE1 4.18Å; Y491-F839 HydrophobicContact CE1-CB 4.32Å; Y491-F839 AromaticContact CE1-CD1 3.88Å; Y491-F839 HydrophobicContact CE1-CD1 3.88Å; Y491-F839 VanDerWaalsContact OH-C 3.28Å; Y491-F839 WeakPolarHBondContact OH-CB 3.32Å; Y491-F839 PolarHBondContact OH-O 2.91Å; L791-F839 HydrophobicContact CD2-CD1 4.15Å; L791-F839 HydrophobicContact CD2-CE1 4.42Å; G795-F839 WeakPolarHBondContact O-CZ 3.44Å; I798-F839 HydrophobicContact CB-CE2 4.22Å; I798-F839 HydrophobicContact CB-CZ 4.22Å; I798-F839 HydrophobicContact CG2-CD2 4.47Å; I798-F839 HydrophobicContact CG2-CE2 3.46Å; I798-F839 VanDerWaalsContact CG2-CE2 3.46Å; I798-F839 HydrophobicContact CG2-CZ 3.96Å; L799-F839 HydrophobicContact CB-CZ 4.06Å; F835-F839 AromaticContact CD2-CD2 3.51Å; F835-F839 HydrophobicContact CD2-CD2 3.51Å; F835-F839 AromaticContact CD2-CE2 3.67Å; F835-F839 HydrophobicContact CD2-CE2 3.67Å; F835-F839 AromaticContact CE2-CD2 3.34Å; F835-F839 HydrophobicContact CE2-CD2 3.34Å; F835-F839 AromaticContact CE2-CE2 3.41Å; F835-F839 HydrophobicContact CE2-CE2 3.41Å; F835-F839 VanDerWaalsContact CE2-CE2 3.41Å; F835-F839 HydrophobicContact CE2-CG 4.06Å; F835-F839 HydrophobicContact CE2-CZ 4.19Å; F835-F839 HydrophobicContact CG-CD2 4.19Å; F835-F839 AromaticContact CZ-CD2 3.9Å; F835-F839 HydrophobicContact CZ-CD2 3.9Å; F835-F839 HydrophobicContact CZ-CE2 4.3Å; F835-F839 HydrophobicContact CZ-CG 4.19Å; F835-F839 WeakPolarHBondContact O-CB 3.49Å; F835-F839 PolarHBondContact O-N 3.4Å; F839-P843 WeakPolarHBondContact O-CG 3.1Å
840	A	94.7	Very high	89.9	Confident	12 Å²	12	27.8 Å²	27.8	10%	0.099	14%	0.142	C	C	.	.	I	π-helix	trans	-116.8	-62.4	-176.3	0	0	0	0	0	113.5	I495 V504 F836 P843 V844	I495-A840 HydrophobicContact CD1-CB 4.29Å; V504-A840 HydrophobicContact CG1-CB 4.43Å; F836-A840 WeakPolarHBondContact O-CA 3.02Å; F836-A840 WeakPolarHBondContact O-CB 3.39Å; F836-A840 PolarHBondContact O-N 2.96Å; A840-P843 WeakPolarHBondContact O-CD 3.3Å; A840-V844 WeakPolarHBondContact O-CG2 3.32Å; A840-V844 PolarHBondContact O-N 3.11Å
841	I	94.2	Very high	87.6	Confident	7 Å²	7	32.3 Å²	32.3	4%	0.036	17%	0.171	C	C	.	.	I	π-helix	trans	-65.9	-50.9	-169.3	-61.7	159.4	0	0	0	110.5	Y508 F836 V844 I845	Y508-I841 HydrophobicContact CD2-CD1 3.63Å; Y508-I841 HydrophobicContact CD2-CG1 3.97Å; Y508-I841 HydrophobicContact CD2-CG2 3.78Å; Y508-I841 HydrophobicContact CE2-CD1 4.14Å; Y508-I841 HydrophobicContact CE2-CG2 3.95Å; Y508-I841 HydrophobicContact CG-CG2 4.27Å; F836-I841 PolarHBondContact O-N 2.59Å; I841-V844 PolarHBondContact O-N 3.5Å; I841-I845 HydrophobicContact CG2-CD1 3.53Å; I841-I845 HydrophobicContact CG2-CG1 4.31Å; I841-I845 WeakPolarHBondContact O-CB 3.17Å; I841-I845 VanDerWaalsContact O-CG1 3.29Å; I841-I845 WeakPolarHBondContact O-CG1 3.34Å; I841-I845 PolarHBondContact O-N 3.19Å
842	L	91.7	Very high	84.7	Confident	4 Å²	4	37.2 Å²	37.2	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-65.8	-48.8	-176.3	-167.5	66.8	0	0	0	112.2	C768 M771 L772 H837 V844 I845 L846	C768-L842 HydrophobicContact CB-CD2 4.18Å; M771-L842 HydrophobicContact CE-CB 4.45Å; M771-L842 HydrophobicContact CE-CD2 4.13Å; M771-L842 HydrophobicContact CE-CG 4.36Å; L772-L842 HydrophobicContact CD1-CD1 4.43Å; L772-L842 HydrophobicContact CD1-CD2 4.01Å; L772-L842 HydrophobicContact CD2-CD1 4.04Å; L772-L842 HydrophobicContact CD2-CD2 4.14Å; L772-L842 HydrophobicContact CD2-CG 4.26Å; L772-L842 HydrophobicContact CG-CD2 3.84Å; H837-L842 WeakPolarHBondContact O-CB 3.42Å; H837-L842 PolarHBondContact O-N 3.07Å; L842-V844 VanDerWaalsContact C-N 3.3Å; L842-V844 PolarHBondContact O-N 3.15Å; L842-I845 PolarHBondContact O-N 3.26Å; L842-L846 HydrophobicContact CD1-CD1 4.41Å; L842-L846 HydrophobicContact CD1-CG 4.38Å; L842-L846 HydrophobicContact CG-CD1 3.96Å; L842-L846 HydrophobicContact CG-CG 4.36Å; L842-L846 WeakPolarHBondContact O-CB 3.44Å; L842-L846 WeakPolarHBondContact O-CG 3.48Å; L842-L846 PolarHBondContact O-N 3.47Å
843	P	92.3	Very high	82.1	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-51	-46.4	173.3	-33.6	41.4	0	0	0	113.6	I495 M771 V787 L791 C838 F839 A840 T847	I495-P843 HydrophobicContact CG1-CB 4.31Å; M771-P843 HydrophobicContact CE-CG 3.59Å; V787-P843 HydrophobicContact CG1-CB 3.61Å; V787-P843 HydrophobicContact CG1-CG 4.46Å; L791-P843 HydrophobicContact CD1-CB 4.38Å; L791-P843 HydrophobicContact CD1-CG 4.19Å; L791-P843 HydrophobicContact CD2-CG 4.26Å; C838-P843 VanDerWaalsContact O-CD 3.3Å; C838-P843 WeakPolarHBondContact O-CD 3.34Å; C838-P843 WeakPolarHBondContact O-CG 3.26Å; F839-P843 WeakPolarHBondContact O-CG 3.1Å; A840-P843 WeakPolarHBondContact O-CD 3.3Å; P843-T847 VanDerWaalsContact O-CG2 3.24Å; P843-T847 WeakPolarHBondContact O-CG2 3.44Å; P843-T847 PolarHBondContact O-N 2.93Å
844	V	91.2	Very high	79.3	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.012	27%	0.266	C	S	.	.	H	α-helix	trans	-69.3	-46.7	-177.3	170.2	0	0	0	0	111.6	I495 K501 V504 A840 I841 L842 L846 T847 F848	I495-V844 HydrophobicContact CD1-CG2 4.14Å; I495-V844 HydrophobicContact CG1-CG2 4.28Å; K501-V844 HydrophobicContact CB-CG1 3.93Å; K501-V844 HydrophobicContact CG-CG1 4.14Å; V504-V844 HydrophobicContact CB-CB 4.32Å; V504-V844 HydrophobicContact CB-CG1 4.24Å; V504-V844 HydrophobicContact CB-CG2 3.93Å; V504-V844 HydrophobicContact CG1-CB 3.89Å; V504-V844 HydrophobicContact CG1-CG1 4.17Å; V504-V844 HydrophobicContact CG1-CG2 3.8Å; V504-V844 HydrophobicContact CG2-CG2 3.96Å; A840-V844 WeakPolarHBondContact O-CG2 3.32Å; A840-V844 PolarHBondContact O-N 3.11Å; I841-V844 PolarHBondContact O-N 3.5Å; L842-V844 VanDerWaalsContact C-N 3.3Å; L842-V844 PolarHBondContact O-N 3.15Å; V844-L846 VanDerWaalsContact C-N 3.3Å; V844-L846 PolarHBondContact O-N 3.01Å; V844-T847 WeakPolarHBondContact O-CB 3.3Å; V844-T847 PolarHBondContact O-N 2.75Å; V844-T847 PolarHBondContact O-OG1 3.28Å; V844-F848 HydrophobicContact CG1-CD2 4.15Å; V844-F848 HydrophobicContact CG1-CE2 3.45Å; V844-F848 VanDerWaalsContact CG1-CE2 3.45Å; V844-F848 HydrophobicContact CG1-CZ 4.1Å; V844-F848 WeakPolarHBondContact O-CD2 2.97Å; V844-F848 PolarHBondContact O-N 2.66Å
845	I	87.6	Confident	76.6	Confident	49 Å²	49	60.8 Å²	60.8	25%	0.251	31%	0.307	S	S	.	.	H	α-helix	trans	-57.2	-45.4	177.2	-71	175.3	0	0	0	110.8	W726 I841 L842 T847 F848 L849	W726-I845 HydrophobicContact CE3-CG2 4.38Å; W726-I845 HydrophobicContact CH2-CG2 3.79Å; W726-I845 HydrophobicContact CZ3-CG2 3.61Å; I841-I845 HydrophobicContact CG2-CD1 3.53Å; I841-I845 HydrophobicContact CG2-CG1 4.31Å; I841-I845 WeakPolarHBondContact O-CB 3.17Å; I841-I845 VanDerWaalsContact O-CG1 3.29Å; I841-I845 WeakPolarHBondContact O-CG1 3.34Å; I841-I845 PolarHBondContact O-N 3.19Å; L842-I845 PolarHBondContact O-N 3.26Å; I845-T847 PolarHBondContact O-N 2.64Å; I845-F848 PolarHBondContact O-N 3.38Å; I845-L849 HydrophobicContact CG2-CD1 4.13Å; I845-L849 WeakPolarHBondContact O-CD1 3.25Å
846	L	86.1	Confident	73.8	Confident	2 Å²	2	69.3 Å²	69.3	1%	0.01	34%	0.338	C	S	.	.	H	α-helix	trans	-63.5	-24.1	178.6	-66	175.6	0	0	0	112.7	W726 L772 F775 V787 L842 V844	W726-L846 HydrophobicContact CD2-CD2 4.48Å; W726-L846 HydrophobicContact CG-CD2 4.47Å; L772-L846 HydrophobicContact CD2-CD1 3.81Å; L772-L846 HydrophobicContact CD2-CD2 3.89Å; L772-L846 HydrophobicContact CD2-CG 4.39Å; F775-L846 HydrophobicContact CB-CD1 4.34Å; F775-L846 HydrophobicContact CD1-CB 4.3Å; F775-L846 HydrophobicContact CD1-CD1 3.85Å; F775-L846 HydrophobicContact CD1-CD2 3.81Å; F775-L846 HydrophobicContact CD1-CG 4.19Å; F775-L846 HydrophobicContact CD2-CB 4.45Å; F775-L846 HydrophobicContact CD2-CD1 4.39Å; F775-L846 HydrophobicContact CE1-CB 3.89Å; F775-L846 HydrophobicContact CE1-CD1 4.27Å; F775-L846 HydrophobicContact CE1-CD2 3.64Å; F775-L846 HydrophobicContact CE1-CG 4.12Å; F775-L846 HydrophobicContact CE2-CB 4.06Å; F775-L846 HydrophobicContact CG-CD1 3.92Å; F775-L846 HydrophobicContact CZ-CB 3.76Å; F775-L846 HydrophobicContact CZ-CD2 4.37Å; F775-L846 HydrophobicContact CZ-CG 4.48Å; F775-L846 WeakPolarHBondContact CZ-O 3.22Å; V787-L846 HydrophobicContact CG2-CB 3.96Å; L842-L846 HydrophobicContact CD1-CD1 4.41Å; L842-L846 HydrophobicContact CD1-CG 4.38Å; L842-L846 HydrophobicContact CG-CD1 3.96Å; L842-L846 HydrophobicContact CG-CG 4.36Å; L842-L846 WeakPolarHBondContact O-CB 3.44Å; L842-L846 WeakPolarHBondContact O-CG 3.48Å; L842-L846 PolarHBondContact O-N 3.47Å; V844-L846 VanDerWaalsContact C-N 3.3Å; V844-L846 PolarHBondContact O-N 3.01Å
847	T	85.2	Confident	71	Confident	10 Å²	10	75.9 Å²	75.9	6%	0.061	37%	0.367	C	S	.	.	H	α-helix	trans	-74.7	-23.9	172.5	74.6	0	0	0	0	114.2	K501 R783 V787 P843 V844 I845	K501-T847 VanDerWaalsContact CE-OG1 3.25Å; K501-T847 WeakPolarHBondContact CE-OG1 3.32Å; K501-T847 PolarHBondContact NZ-OG1 3.17Å; R783-T847 PolarHBondContact NH1-O 3.27Å; V787-T847 HydrophobicContact CG2-CG2 4.11Å; P843-T847 VanDerWaalsContact O-CG2 3.24Å; P843-T847 WeakPolarHBondContact O-CG2 3.44Å; P843-T847 PolarHBondContact O-N 2.93Å; V844-T847 WeakPolarHBondContact O-CB 3.3Å; V844-T847 PolarHBondContact O-N 2.75Å; V844-T847 PolarHBondContact O-OG1 3.28Å; I845-T847 PolarHBondContact O-N 2.64Å
848	F	79.7	Confident	68.3	Low	112 Å²	112	83.1 Å²	83.1	49%	0.491	40%	0.4	S	S	.	.	H	α-helix	trans	-79.6	-30.6	-175.8	-71.5	-58.8	0	0	0	113.9	K501 V505 R783 V844 I845	K501-F848 HydrophobicContact CB-CE1 4.3Å; K501-F848 HydrophobicContact CB-CE2 4.43Å; K501-F848 HydrophobicContact CB-CZ 3.67Å; K501-F848 HydrophobicContact CD-CE1 3.92Å; K501-F848 HydrophobicContact CD-CZ 3.99Å; K501-F848 HydrophobicContact CG-CZ 4.41Å; V505-F848 HydrophobicContact CG2-CE2 3.71Å; V505-F848 HydrophobicContact CG2-CZ 4.04Å; R783-F848 PolarHBondContact NH1-O 2.85Å; V844-F848 HydrophobicContact CG1-CD2 4.15Å; V844-F848 HydrophobicContact CG1-CE2 3.45Å; V844-F848 VanDerWaalsContact CG1-CE2 3.45Å; V844-F848 HydrophobicContact CG1-CZ 4.1Å; V844-F848 WeakPolarHBondContact O-CD2 2.97Å; V844-F848 PolarHBondContact O-N 2.66Å; I845-F848 PolarHBondContact O-N 3.38Å
849	L	64.7	Low	65.6	Low	72 Å²	72	93.1 Å²	93.1	38%	0.377	44%	0.444	S	S	.	.	S	Bend	trans	-83.1	125	-167	-71.1	140.7	0	0	0	117.3	W726 R783 I845	W726-L849 HydrophobicContact CH2-CD1 3.55Å; W726-L849 HydrophobicContact CH2-CD2 4.4Å; W726-L849 HydrophobicContact CZ2-CD1 3.14Å; W726-L849 HydrophobicContact CZ2-CD2 3.99Å; W726-L849 HydrophobicContact CZ2-CG 4.17Å; R783-L849 WeakPolarHBondContact CD-O 3.5Å; R783-L849 PolarHBondContact NE-O 3.46Å; R783-L849 VanDerWaalsContact NH1-N 3.11Å; R783-L849 PolarHBondContact NH1-O 3.12Å; R783-L849 PolarHBondContact NH2-O 2.72Å; I845-L849 HydrophobicContact CG2-CD1 4.13Å; I845-L849 WeakPolarHBondContact O-CD1 3.25Å
850	P	50.7	Low	62.8	Low	106 Å²	106	100.2 Å²	100.2	69%	0.688	48%	0.475	S	S	*	.			trans	-45.3	136.1	-178.8	20.3	-32.9	0	0	0	114.7	S852	P850-S852 PolarHBondContact O-N 3.44Å
851	P	50.8	Low	60.2	Low	95 Å²	95	106.1 Å²	106.1	62%	0.617	51%	0.505	S	S	*	.			trans	-80.7	113.9	154.4	34.5	-21.7	0	0	0	106.8	K853	P851-K853 VanDerWaalsContact C-N 3.29Å; P851-K853 PolarHBondContact O-N 3.02Å; P851-K853 VanDerWaalsContact O-N 3.12Å
852	S	37.2	Very low	57.7	Low	104 Å²	104	111.2 Å²	111.2	73%	0.727	54%	0.538	S	S	*	.			trans	-60.5	106.4	135.9	167.4	0	0	0	0	106.6	P850	P850-S852 PolarHBondContact O-N 3.44Å
853	K	43.6	Very low	55.4	Low	177 Å²	177	119.4 Å²	119.4	77%	0.77	58%	0.576	S	S	*	*				173	110.4	128.7	-89.6	158	-164.9	179.6	0	110.3	P851 K855	P851-K853 VanDerWaalsContact C-N 3.29Å; P851-K853 PolarHBondContact O-N 3.02Å; P851-K853 VanDerWaalsContact O-N 3.12Å; K853-K855 PolarHBondContact O-N 3.01Å
854	K	37.6	Very low	52.8	Low	203 Å²	203	125.5 Å²	125.5	88%	0.883	61%	0.609	S	S	*	*			trans	11.4	107.8	153	-62.1	177.8	179.4	179.6	0	113.1	R856	K854-R856 VanDerWaalsContact C-N 3.31Å; K854-R856 PolarHBondContact O-N 2.67Å
855	K	41.4	Very low	50	Low	200 Å²	200	136.5 Å²	136.5	87%	0.87	65%	0.65	S	S	*	*			trans	-43.3	110.8	144.9	-78.4	-177.5	177.1	178.5	0	104.5	K853 K857	K853-K855 PolarHBondContact O-N 3.01Å; K855-K857 VanDerWaalsContact C-N 3.32Å; K855-K857 PolarHBondContact O-N 3.26Å
856	R	39.7	Very low	47.6	Very low	225 Å²	225	141.9 Å²	141.9	85%	0.849	67%	0.674	S	S	*	*			trans	-52.7	113.8	165.6	-159.3	175.5	-176.1	-177.9	-1.3	102.1	K854 E858	K854-R856 VanDerWaalsContact C-N 3.31Å; K854-R856 PolarHBondContact O-N 2.67Å; R856-E858 PolarHBondContact O-N 2.86Å
857	K	37.2	Very low	45.1	Very low	201 Å²	201	151.1 Å²	151.1	87%	0.874	72%	0.717	S	S	*	*			trans	-59.9	90.7	174.4	-78.8	-176	174.9	-177.3	0	104	K855 K859	K855-K857 VanDerWaalsContact C-N 3.32Å; K855-K857 PolarHBondContact O-N 3.26Å; K857-K859 PolarHBondContact O-N 2.8Å; K857-K859 VanDerWaalsContact O-N 3.11Å
858	E	39.8	Very low	42.7	Very low	156 Å²	156	158 Å²	158	73%	0.729	75%	0.752	S	S	*	*			trans	-52.7	120.3	156.4	-77.1	-177.3	157.9	0	0	103.6	R856 K860	R856-E858 PolarHBondContact O-N 2.86Å; E858-K860 PolarHBondContact O-N 3Å
859	K	37	Very low	40.5	Very low	211 Å²	211	161.3 Å²	161.3	92%	0.917	77%	0.769	S	S	*	*			trans	-59.2	83	164	-80.7	178	170.5	-178.1	0	105.3	K857 N861	K857-K859 PolarHBondContact O-N 2.8Å; K857-K859 VanDerWaalsContact O-N 3.11Å; K859-N861 PolarHBondContact O-N 2.82Å
860	K	36.4	Very low	38.8	Very low	156 Å²	156	163.4 Å²	163.4	68%	0.678	79%	0.788	S	S	*	*			trans	-64.3	122.3	169.7	-83.9	-168.1	170.8	-169	0	105.6	E858	E858-K860 PolarHBondContact O-N 3Å
861	N	40.2	Very low	38	Very low	136 Å²	136	164.3 Å²	164.3	73%	0.727	79%	0.791	S	S	*	*			trans	-50.5	137.8	167.6	-116.3	-2.9	0	0	0	108.4	K859 E863	K859-N861 PolarHBondContact O-N 2.82Å; N861-E863 PolarHBondContact O-N 3.11Å
862	P	41.5	Very low	37	Very low	114 Å²	114	168 Å²	168	74%	0.74	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	1.7	-168.7	24.9	-32.4	0	0	0	115.4
863	E	43.4	Very low	36.9	Very low	176 Å²	176	171 Å²	171	82%	0.822	81%	0.805	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-13.3	-176.3	-69	-176.1	163.2	0	0	114.9	N861	N861-E863 PolarHBondContact O-N 3.11Å
864	N	37.6	Very low	36.6	Very low	128 Å²	128	168 Å²	168	68%	0.684	80%	0.801	S	S	*	*			trans	-105.6	68.9	172.1	-88.2	5.3	0	0	0	111.1	E866	N864-E866 VanDerWaalsContact C-N 3.33Å; N864-E866 PolarHBondContact O-N 2.7Å
865	R	32.7	Very low	36.7	Very low	234 Å²	234	166 Å²	166	88%	0.883	80%	0.8	S	S	*	*			trans	-90.8	70.5	170.6	-155.2	179	-168.8	-177.7	1.5	108.5	E867	R865-E867 PolarHBondContact O-N 3.16Å
866	E	36.6	Very low	36.5	Very low	162 Å²	162	163.2 Å²	163.2	76%	0.757	79%	0.793	S	S	*	*			trans	-66.9	130.6	167.6	-75.1	178.1	168	0	0	109.1	N864 I868	N864-E866 VanDerWaalsContact C-N 3.33Å; N864-E866 PolarHBondContact O-N 2.7Å; E866-I868 PolarHBondContact O-N 3.12Å
867	E	34.5	Very low	36.5	Very low	196 Å²	196	158.3 Å²	158.3	92%	0.916	78%	0.784	S	S	*	*			trans	-56.5	111.8	-176.9	-67.2	172.4	155.6	0	0	110	R865 E869	R865-E867 PolarHBondContact O-N 3.16Å; E867-E869 PolarHBondContact O-N 2.94Å
868	I	35.1	Very low	36.6	Very low	154 Å²	154	154.7 Å²	154.7	79%	0.79	78%	0.784	S	S	*	*			trans	-80	110.5	171.1	-61.8	172.4	0	0	0	105.6	E866 C870	E866-I868 PolarHBondContact O-N 3.12Å; I868-C870 PolarHBondContact O-N 3.02Å
869	E	32	Very low	36.5	Very low	181 Å²	181	152.7 Å²	152.7	85%	0.846	78%	0.782	S	S	*	*			trans	-53.3	107.3	165.7	-85.4	-177.9	146.2	0	0	108.8	E867 V871	E867-E869 PolarHBondContact O-N 2.94Å; E869-V871 PolarHBondContact O-N 3.01Å
870	C	29.7	Very low	36.8	Very low	116 Å²	116	153 Å²	153	78%	0.784	78%	0.778	S	S	*	*			trans	-66.9	97	168.7	-68.7	0	0	0	0	107.8	I868 E872	I868-C870 PolarHBondContact O-N 3.02Å; C870-E872 VanDerWaalsContact C-N 3.27Å; C870-E872 PolarHBondContact O-N 3.17Å
871	V	34.3	Very low	37	Very low	125 Å²	125	151 Å²	151	76%	0.758	78%	0.779	S	S	*	*			trans	-70.6	96	157.2	-179.8	0	0	0	0	105.8	E869 M873	E869-V871 PolarHBondContact O-N 3.01Å; V871-M873 PolarHBondContact O-N 3.25Å
872	E	30.2	Very low	37	Very low	172 Å²	172	150.8 Å²	150.8	80%	0.804	78%	0.782	S	S	*	*			trans	-54.9	100.9	165.2	-92.6	-178.9	149.9	0	0	108	C870 V874	C870-E872 VanDerWaalsContact C-N 3.27Å; C870-E872 PolarHBondContact O-N 3.17Å; E872-V874 VanDerWaalsContact C-N 3.33Å; E872-V874 PolarHBondContact O-N 2.97Å; E872-V874 VanDerWaalsContact O-N 3.16Å
873	M	34.2	Very low	36.9	Very low	169 Å²	169	151.6 Å²	151.6	83%	0.833	78%	0.78	S	S	*	*			trans	-74.8	99.8	157.4	-69.5	-135.4	-63.5	0	0	105.9	V871 D875	V871-M873 PolarHBondContact O-N 3.25Å; M873-D875 PolarHBondContact O-N 3.34Å; M873-D875 VanDerWaalsContact O-N 3.12Å
874	V	38.6	Very low	36.7	Very low	112 Å²	112	150.6 Å²	150.6	68%	0.679	78%	0.775	S	S	*	*			trans	-48.5	117.7	168.7	179.5	0	0	0	0	107.7	E872 I876	E872-V874 VanDerWaalsContact C-N 3.33Å; E872-V874 PolarHBondContact O-N 2.97Å; E872-V874 VanDerWaalsContact O-N 3.16Å; V874-I876 HydrophobicContact CB-CG1 4.43Å; V874-I876 HydrophobicContact CG1-CD1 4.45Å; V874-I876 HydrophobicContact CG1-CG1 3.88Å; V874-I876 PolarHBondContact O-N 2.95Å
875	D	38	Very low	36.8	Very low	162 Å²	162	151.1 Å²	151.1	87%	0.866	78%	0.777	S	S	*	*			trans	-60.1	83	171.6	-82.3	-42	0	0	0	109.1	M873 D877	M873-D875 PolarHBondContact O-N 3.34Å; M873-D875 VanDerWaalsContact O-N 3.12Å; D875-D877 PolarHBondContact O-N 3.34Å
876	I	38.8	Very low	37	Very low	141 Å²	141	145.6 Å²	145.6	72%	0.723	77%	0.769	S	S	*	*			trans	-87.7	89.6	168.9	-60.8	175.5	0	0	0	107.2	V874	V874-I876 HydrophobicContact CB-CG1 4.43Å; V874-I876 HydrophobicContact CG1-CD1 4.45Å; V874-I876 HydrophobicContact CG1-CG1 3.88Å; V874-I876 PolarHBondContact O-N 2.95Å
877	D	39.2	Very low	37	Very low	123 Å²	123	143.5 Å²	143.5	66%	0.658	77%	0.768	S	S	*	*			trans	51.6	91.4	146.8	-70.1	-37.3	0	0	0	118.1	D875 T879	D875-D877 PolarHBondContact O-N 3.34Å; D877-T879 PolarHBondContact O-N 3.48Å
878	S	38.3	Very low	37.2	Very low	125 Å²	125	143.6 Å²	143.6	87%	0.874	78%	0.781	S	S	*	*	S	Bend	trans	-69.8	30.9	161.8	58	0	0	0	0	114.5
879	T	37.9	Very low	37.3	Very low	113 Å²	113	143.1 Å²	143.1	69%	0.693	78%	0.78	S	S	*	*			trans	-110.7	15.3	-173.9	44.7	0	0	0	0	115.5	D877	D877-T879 PolarHBondContact O-N 3.48Å
880	R	43.2	Very low	37.6	Very low	219 Å²	219	141.1 Å²	141.1	83%	0.826	78%	0.777	S	S	*	*	S	Bend	trans	-124.5	1.4	-179.8	-98	-174.3	145	157.3	-3.4	119.2
881	V	41.6	Very low	38	Very low	114 Å²	114	142.4 Å²	142.4	69%	0.691	78%	0.777	S	S	*	*	S	Bend	trans	-91.1	-19.6	-176.6	-176.1	0	0	0	0	113.3
882	V	40	Very low	38.2	Very low	130 Å²	130	143.5 Å²	143.5	79%	0.788	78%	0.778	S	S	*	*	G	3₁₀ helix	trans	-75.6	-24.8	-178.8	-178.3	0	0	0	0	112.8
883	D	39.6	Very low	38.7	Very low	132 Å²	132	141.7 Å²	141.7	71%	0.706	78%	0.776	S	S	*	*	G	3₁₀ helix	trans	-89.1	-4	-179	-84	-8.6	0	0	0	115.3
884	Q	39.3	Very low	39	Very low	155 Å²	155	139.9 Å²	139.9	72%	0.724	77%	0.772	S	S	*	*	G	3₁₀ helix	trans	-95.5	-1.7	179	-79.4	-168.7	-21.3	0	0	114.8
885	I	38.5	Very low	39	Very low	139 Å²	139	141.9 Å²	141.9	71%	0.713	78%	0.779	S	S	*	*	S	Bend	trans	-90.4	-7.1	178.4	-63.4	178.8	0	0	0	112.4
886	T	38.4	Very low	39.1	Very low	118 Å²	118	140.3 Å²	140.3	72%	0.724	77%	0.772	S	S	*	*	S	Bend	trans	-105.7	13.2	178.6	42.6	0	0	0	0	115.7
887	T	36.8	Very low	39.2	Very low	118 Å²	118	140.3 Å²	140.3	72%	0.724	78%	0.776	S	S	*	*			trans	-139.4	27.5	178.3	40.2	0	0	0	0	116.6
888	V	37.2	Very low	39.2	Very low	197 Å²	197	141.8 Å²	141.8	100%	1.194	79%	0.787	S	S	*	*			trans	-136.1	0	156.7	-177.4	0	0	0	0	107.8

Retrieved 888 of 888 residues in 644 ms (Link to these results)

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