A0A077ZGZ8_TRITR Loading...

ABC tran and ABC membrane domain containing prote in

AlphaFold DB , UniProt , Accession A0A077ZGZ8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 982 aa.

						>A0A077ZGZ8_TRITR|A0A077ZGZ8
MTTGFMTPMMFGMSLYLIVRTSPGLGMYVLLALPILLLAVILIAKYSEPLSTKQQKNLDNINGILRENLSGLRVIRAFVNEKFEETRFRLVNDAYTNSSKSLFHLMAVAQPGFFFLFNIVMVLIIWNGTVQISDGALAVGTLIAFIEYIFHALFSFMLFATVFMMYPRANVSAERIQEVFDMEPIIKDNPEKTAEPTERGSLEFRNVTFAYPGHSESPVIRNVSFTAKAGETVAFIGSTGSGKSTLIQLIPRFYDVTEGQVLVNGQDVRDYQLKDLREKIGYIPQKAQLFTGTIEDNLRYGKKNATQAEMEQAAEIAQAAEFISQKPKGYQEELAEGGSNFSGGQKQRLAIARAVIRRPEIYIFDDSFSALDYQTDAKLRARLKKETTESVVLIVAQRVGTIMHADKIVVLNEGDVVGIGTHRELLEKCPIYYDIAASQLSKEELVSKNIAQGESINFDYVFKWLIVIVIVGIVYCGTQLGTGWLMANVVQSAMRDLREDIEAKINRLPVSYFDRNQQGNILSRVTNDVDAVSNAMQQAIIKSINAVLGILLAVAMMFYINPMMALISMIMIPLSLVITRKIVQVSQKDFQGMQNSLGEMNGYVQENMTGFSVLKLYGREKETLAGFSKVNHELRRFGFRASFVSSLMQPLVQLTAYATYIAMAILGSWNVIHGVILVGQLQAFIQYIWQVSQPMGEITQLSSMIQSASASAKRVFEILDEPEEELNDHDLPLPEPVQGNVVFDHVQFSYDPKKPLIEDLSFEVKAGETVAIVGPTGAGKTTLINLLMRFYDINSGRILIDGVNTQEMNRSDVRSLFGMVLQDAWLYEGTIGDNIRFGRLEATDYEVVDAAKTANVDHFIRTMPSGYEMEINSEGDNVSLGQKQLLTIARAIISDPKILILDEAASSVDTRLEGLIQKAMDRVMEGRTSFVIAHRLSTIRDADHILVMKNGQIIEHGTHTELLAQGGFYEQLYNSQFMEEAE
					

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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	62.8	Low	78.5	Confident	183 Å²	183	69.8 Å²	69.8	90%	0.901	37%	0.372	S	S	*	.				0	-82.6	0	-73.3	178.1	172.5	0	0	108.9	T3 G4 S447	M1-T3 PolarHBondContact O-N 3.1Å; M1-G4 PolarHBondContact O-N 3Å; M1-S447 PolarHBondContact N-O 3.22Å
2	T	72.5	Confident	79	Confident	79 Å²	79	67 Å²	67	49%	0.485	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.3	-87.5	158.7	27.5	0	0	0	0	116.3	G4 F5 M6 K448	T2-G4 PolarHBondContact O-N 3.37Å; T2-F5 PolarHBondContact O-N 2.94Å; T2-M6 PolarHBondContact O-N 3.48Å; T2-K448 WeakPolarHBondContact CB-O 3.3Å; T2-K448 WeakPolarHBondContact OG1-CA 3.42Å; T2-K448 WeakPolarHBondContact OG1-CB 3.47Å; T2-K448 PolarHBondContact OG1-O 3.32Å
3	T	74.4	Confident	79.6	Confident	1 Å²	1	68.9 Å²	68.9	1%	0.006	38%	0.378	C	S	.	.	H	α-helix	trans	-60.9	-25.5	178.8	55.6	0	0	0	0	113.3	M1 F5 T7 P8 L158 V162 K448 N449	M1-T3 PolarHBondContact O-N 3.1Å; T3-F5 PolarHBondContact O-N 3.45Å; T3-F5 VanDerWaalsContact O-N 3.11Å; T3-T7 VanDerWaalsContact CA-OG1 3.31Å; T3-T7 WeakPolarHBondContact CA-OG1 3.17Å; T3-T7 WeakPolarHBondContact CB-OG1 3.05Å; T3-T7 WeakPolarHBondContact CG2-OG1 3.48Å; T3-T7 WeakPolarHBondContact O-CA 3.34Å; T3-T7 WeakPolarHBondContact O-CB 3.41Å; T3-T7 PolarHBondContact O-N 2.88Å; T3-T7 PolarHBondContact O-OG1 3.34Å; T3-P8 WeakPolarHBondContact O-CD 3.36Å; T3-L158 HydrophobicContact CG2-CB 4.03Å; T3-L158 HydrophobicContact CG2-CD1 4.21Å; T3-L158 HydrophobicContact CG2-CD2 4.34Å; T3-L158 HydrophobicContact CG2-CG 4.44Å; T3-V162 WeakPolarHBondContact OG1-CG2 3.38Å; T3-K448 HydrophobicContact CG2-CB 3.69Å; T3-K448 HydrophobicContact CG2-CD 4.05Å; T3-K448 HydrophobicContact CG2-CG 4.28Å; T3-K448 WeakPolarHBondContact OG1-CB 3.49Å; T3-K448 VanDerWaalsContact OG1-CD 3.27Å; T3-K448 WeakPolarHBondContact OG1-CD 3.08Å; T3-K448 WeakPolarHBondContact OG1-CG 3.33Å; T3-N449 HydrophobicContact CG2-CB 4.13Å
4	G	75.4	Confident	80	Confident	42 Å²	42	64 Å²	64	43%	0.433	35%	0.351	S	S	.	.	H	α-helix	trans	-48.7	-40.5	171.3	0	0	0	0	0	111.8	M1 T2 P8	M1-G4 PolarHBondContact O-N 3Å; T2-G4 PolarHBondContact O-N 3.37Å; G4-P8 VanDerWaalsContact O-CD 3.26Å; G4-P8 WeakPolarHBondContact O-CD 3.15Å; G4-P8 VanDerWaalsContact O-CG 3.29Å; G4-P8 WeakPolarHBondContact O-CG 3.15Å
5	F	79.5	Confident	80.4	Confident	160 Å²	160	63.1 Å²	63.1	70%	0.702	35%	0.345	S	S	*	.	H	α-helix	trans	-97.3	-50.2	176.5	-172.7	-96.8	0	0	0	113.3	T2 T3 T7 P8 M9	T2-F5 PolarHBondContact O-N 2.94Å; T3-F5 PolarHBondContact O-N 3.45Å; T3-F5 VanDerWaalsContact O-N 3.11Å; F5-T7 VanDerWaalsContact C-N 3.29Å; F5-T7 PolarHBondContact O-N 3.3Å; F5-P8 WeakPolarHBondContact O-CD 3.38Å; F5-M9 HydrophobicContact CE1-SD 4.09Å; F5-M9 PolarHBondContact O-N 3.47Å
6	M	80.2	Confident	80.7	Confident	74 Å²	74	67.3 Å²	67.3	37%	0.365	36%	0.356	S	S	.	.	H	α-helix	trans	-70.5	-26.5	-171.4	-171.2	167.6	-178.5	0	0	112.3	T2 M10 I450	T2-M6 PolarHBondContact O-N 3.48Å; M6-M10 WeakPolarHBondContact O-CB 3.19Å; M6-M10 PolarHBondContact O-N 2.9Å; M6-I450 HydrophobicContact CE-CB 4.28Å; M6-I450 HydrophobicContact CE-CG2 4.09Å; M6-I450 HydrophobicContact SD-CB 4.39Å; M6-I450 HydrophobicContact SD-CG2 3.82Å
7	T	81.9	Confident	81	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-81.6	-40.8	-176.2	-59.1	0	0	0	0	115	T3 F5 M9 M10 F11 S155 L158 F159	T3-T7 VanDerWaalsContact CA-OG1 3.31Å; T3-T7 WeakPolarHBondContact CA-OG1 3.17Å; T3-T7 WeakPolarHBondContact CB-OG1 3.05Å; T3-T7 WeakPolarHBondContact CG2-OG1 3.48Å; T3-T7 WeakPolarHBondContact O-CA 3.34Å; T3-T7 WeakPolarHBondContact O-CB 3.41Å; T3-T7 PolarHBondContact O-N 2.88Å; T3-T7 PolarHBondContact O-OG1 3.34Å; F5-T7 VanDerWaalsContact C-N 3.29Å; F5-T7 PolarHBondContact O-N 3.3Å; T7-M9 VanDerWaalsContact C-N 3.28Å; T7-M9 PolarHBondContact O-N 3.46Å; T7-M10 HydrophobicContact CG2-CE 4.29Å; T7-M10 PolarHBondContact O-N 2.65Å; T7-F11 WeakPolarHBondContact O-CB 2.82Å; T7-F11 PolarHBondContact O-N 3.01Å; T7-S155 WeakPolarHBondContact CG2-O 3.47Å; T7-L158 HydrophobicContact CG2-CB 4.27Å; T7-F159 HydrophobicContact CG2-CB 3.78Å; T7-F159 HydrophobicContact CG2-CD2 4.13Å; T7-F159 HydrophobicContact CG2-CG 4.47Å
8	P	81.6	Confident	81.2	Confident	62 Å²	62	61.6 Å²	61.6	40%	0.403	33%	0.326	S	S	.	.	H	α-helix	trans	-60.1	-41.6	167.7	-22	30	0	0	0	111.6	T3 G4 F5 G12 F159	T3-P8 WeakPolarHBondContact O-CD 3.36Å; G4-P8 VanDerWaalsContact O-CD 3.26Å; G4-P8 WeakPolarHBondContact O-CD 3.15Å; G4-P8 VanDerWaalsContact O-CG 3.29Å; G4-P8 WeakPolarHBondContact O-CG 3.15Å; F5-P8 WeakPolarHBondContact O-CD 3.38Å; P8-G12 PolarHBondContact O-N 2.85Å; P8-F159 HydrophobicContact CG-CE2 4.27Å
9	M	84.4	Confident	81.2	Confident	113 Å²	113	62.5 Å²	62.5	56%	0.557	33%	0.334	S	S	*	.	H	α-helix	trans	-61.2	-49.8	175.6	-179.8	-177.3	151.8	0	0	111.3	F5 T7 M13	F5-M9 HydrophobicContact CE1-SD 4.09Å; F5-M9 PolarHBondContact O-N 3.47Å; T7-M9 VanDerWaalsContact C-N 3.28Å; T7-M9 PolarHBondContact O-N 3.46Å; M9-M13 HydrophobicContact CG-CG 4.46Å; M9-M13 VanDerWaalsContact O-CB 3.24Å; M9-M13 WeakPolarHBondContact O-CB 3.38Å; M9-M13 WeakPolarHBondContact O-CG 3.46Å; M9-M13 PolarHBondContact O-N 3.49Å
10	M	85.5	Confident	81.2	Confident	8 Å²	8	68.3 Å²	68.3	4%	0.039	35%	0.35	C	S	.	.	H	α-helix	trans	-64.6	-47.6	178.6	-177	-173.8	22.5	0	0	111.7	M6 T7 S14 S155 L158 I450 A451	M6-M10 WeakPolarHBondContact O-CB 3.19Å; M6-M10 PolarHBondContact O-N 2.9Å; T7-M10 HydrophobicContact CG2-CE 4.29Å; T7-M10 PolarHBondContact O-N 2.65Å; M10-S14 WeakPolarHBondContact O-CA 3.41Å; M10-S14 WeakPolarHBondContact O-CB 3.45Å; M10-S14 PolarHBondContact O-N 2.87Å; M10-S14 PolarHBondContact O-OG 3.24Å; M10-S155 VanDerWaalsContact CE-OG 3.25Å; M10-S155 WeakPolarHBondContact CE-OG 3.24Å; M10-S155 WeakPolarHBondContact CG-OG 3.49Å; M10-S155 PolarHBondContact SD-OG 2.86Å; M10-L158 HydrophobicContact CE-CD1 4.31Å; M10-I450 VanDerWaalsContact CE-O 3.28Å; M10-I450 WeakPolarHBondContact CE-O 3.08Å; M10-I450 VanDerWaalsContact SD-O 3.34Å; M10-A451 WeakPolarHBondContact CG-O 3.38Å; M10-A451 PolarHBondContact SD-N 3.04Å
11	F	85.4	Confident	81	Confident	46 Å²	46	66.7 Å²	66.7	20%	0.202	34%	0.344	C	S	.	.	H	α-helix	trans	-61.9	-45.9	177.3	-178.3	-107.1	0	0	0	111.4	T7 S14 L15 L33 S155 F156	T7-F11 WeakPolarHBondContact O-CB 2.82Å; T7-F11 PolarHBondContact O-N 3.01Å; F11-S14 PolarHBondContact O-N 3.21Å; F11-L15 HydrophobicContact CE1-CD2 4.33Å; F11-L15 HydrophobicContact CZ-CD2 4.46Å; F11-L15 WeakPolarHBondContact O-CB 3.19Å; F11-L15 PolarHBondContact O-N 3.39Å; F11-L33 HydrophobicContact CE2-CD1 4.05Å; F11-L33 HydrophobicContact CE2-CD2 4.13Å; F11-L33 HydrophobicContact CZ-CD1 3.9Å; F11-S155 PolarHBondContact N-OG 3.16Å; F11-F156 HydrophobicContact CE2-CB 4.44Å; F11-F156 AromaticContact CE2-CD2 3.9Å; F11-F156 HydrophobicContact CE2-CD2 3.9Å; F11-F156 HydrophobicContact CZ-CD2 4.22Å
12	G	84.8	Confident	81.9	Confident	36 Å²	36	58.6 Å²	58.6	37%	0.371	31%	0.305	S	S	.	.	H	α-helix	trans	-64.5	-46.6	178	0	0	0	0	0	112.9	P8 Y16	P8-G12 PolarHBondContact O-N 2.85Å; G12-Y16 WeakPolarHBondContact O-CB 3.31Å; G12-Y16 PolarHBondContact O-N 3.18Å
13	M	86.8	Confident	82.2	Confident	92 Å²	92	59.2 Å²	59.2	45%	0.453	31%	0.311	S	S	.	.	H	α-helix	trans	-65.7	-43.4	175.4	-71.7	-64.6	-69.7	0	0	111.5	M9 Y16 L17	M9-M13 HydrophobicContact CG-CG 4.46Å; M9-M13 VanDerWaalsContact O-CB 3.24Å; M9-M13 WeakPolarHBondContact O-CB 3.38Å; M9-M13 WeakPolarHBondContact O-CG 3.46Å; M9-M13 PolarHBondContact O-N 3.49Å; M13-Y16 PolarHBondContact O-N 3.24Å; M13-L17 WeakPolarHBondContact O-CB 3.18Å; M13-L17 WeakPolarHBondContact O-CD1 3.29Å; M13-L17 WeakPolarHBondContact O-CG 3.17Å; M13-L17 PolarHBondContact O-N 2.73Å
14	S	85.3	Confident	82.4	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-60.9	-48	176.9	-57.2	0	0	0	0	111	M10 F11 L17 I18 Q452	M10-S14 WeakPolarHBondContact O-CA 3.41Å; M10-S14 WeakPolarHBondContact O-CB 3.45Å; M10-S14 PolarHBondContact O-N 2.87Å; M10-S14 PolarHBondContact O-OG 3.24Å; F11-S14 PolarHBondContact O-N 3.21Å; S14-L17 PolarHBondContact O-N 2.97Å; S14-I18 WeakPolarHBondContact O-CB 2.45Å; S14-I18 WeakPolarHBondContact O-CD1 3.36Å; S14-I18 WeakPolarHBondContact O-CG1 3.01Å; S14-I18 PolarHBondContact O-N 2.84Å; S14-Q452 PolarHBondContact OG-NE2 3.01Å; S14-Q452 PolarHBondContact OG-OE1 2.9Å
15	L	84.8	Confident	82.7	Confident	50 Å²	50	59.5 Å²	59.5	26%	0.262	31%	0.314	S	S	.	.	H	α-helix	trans	-66.7	-41.6	179.1	-169.1	72.9	0	0	0	111.6	F11 L17 I18 V19	F11-L15 HydrophobicContact CE1-CD2 4.33Å; F11-L15 HydrophobicContact CZ-CD2 4.46Å; F11-L15 WeakPolarHBondContact O-CB 3.19Å; F11-L15 PolarHBondContact O-N 3.39Å; L15-L17 VanDerWaalsContact C-N 3.35Å; L15-L17 PolarHBondContact O-N 3.18Å; L15-I18 PolarHBondContact O-N 3.38Å; L15-V19 WeakPolarHBondContact O-CB 3.33Å; L15-V19 VanDerWaalsContact O-CG2 3.29Å; L15-V19 WeakPolarHBondContact O-CG2 3.46Å; L15-V19 PolarHBondContact O-N 3.37Å
16	Y	85.8	Confident	82.9	Confident	131 Å²	131	52.1 Å²	52.1	51%	0.514	28%	0.283	S	S	.	.	H	α-helix	trans	-58.2	-46.3	173.3	170.3	-103.7	0	0	0	111.4	G12 M13 V19 R20	G12-Y16 WeakPolarHBondContact O-CB 3.31Å; G12-Y16 PolarHBondContact O-N 3.18Å; M13-Y16 PolarHBondContact O-N 3.24Å; Y16-V19 PolarHBondContact O-N 2.89Å; Y16-R20 WeakPolarHBondContact O-CB 3.41Å; Y16-R20 PolarHBondContact O-N 3.39Å
17	L	85.4	Confident	83.2	Confident	31 Å²	31	54.3 Å²	54.3	16%	0.162	29%	0.294	C	S	.	.	H	α-helix	trans	-66.3	-45	178	-69.6	167.7	0	0	0	111.4	M13 S14 L15 V19 R20 T21 Y148	M13-L17 WeakPolarHBondContact O-CB 3.18Å; M13-L17 WeakPolarHBondContact O-CD1 3.29Å; M13-L17 WeakPolarHBondContact O-CG 3.17Å; M13-L17 PolarHBondContact O-N 2.73Å; S14-L17 PolarHBondContact O-N 2.97Å; L15-L17 VanDerWaalsContact C-N 3.35Å; L15-L17 PolarHBondContact O-N 3.18Å; L17-V19 PolarHBondContact O-N 2.85Å; L17-R20 PolarHBondContact O-N 3.48Å; L17-T21 WeakPolarHBondContact O-CB 3.46Å; L17-T21 PolarHBondContact O-N 2.83Å; L17-T21 PolarHBondContact O-OG1 3.09Å; L17-Y148 HydrophobicContact CB-CD2 3.96Å; L17-Y148 HydrophobicContact CB-CE1 4.45Å; L17-Y148 HydrophobicContact CB-CE2 3.91Å; L17-Y148 HydrophobicContact CB-CG 4.29Å; L17-Y148 HydrophobicContact CD1-CD1 4.34Å; L17-Y148 HydrophobicContact CD1-CE1 4.03Å
18	I	84.3	Confident	83.4	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-53.6	-53.5	173.4	-73.4	159.8	0	0	0	110.8	S14 L15 T21 S22 G26 V29 F145 I149 A152	S14-I18 WeakPolarHBondContact O-CB 2.45Å; S14-I18 WeakPolarHBondContact O-CD1 3.36Å; S14-I18 WeakPolarHBondContact O-CG1 3.01Å; S14-I18 PolarHBondContact O-N 2.84Å; L15-I18 PolarHBondContact O-N 3.38Å; I18-T21 PolarHBondContact O-N 2.84Å; I18-S22 PolarHBondContact O-N 3.23Å; I18-G26 VanDerWaalsContact CG2-CA 3.45Å; I18-V29 HydrophobicContact CD1-CG1 4.31Å; I18-V29 HydrophobicContact CD1-CG2 4.21Å; I18-V29 HydrophobicContact CG2-CG2 4.34Å; I18-F145 HydrophobicContact CB-CE2 4.12Å; I18-F145 HydrophobicContact CG1-CD2 4.5Å; I18-F145 HydrophobicContact CG1-CE2 4.19Å; I18-F145 HydrophobicContact CG2-CE2 3.83Å; I18-F145 HydrophobicContact CG2-CZ 3.89Å; I18-I149 HydrophobicContact CD1-CG1 4.12Å; I18-I149 HydrophobicContact CG1-CG1 4.4Å; I18-A152 HydrophobicContact CD1-CB 3.74Å
19	V	82	Confident	83.6	Confident	79 Å²	79	54.2 Å²	54.2	48%	0.479	29%	0.286	S	S	.	.	H	α-helix	trans	-66.2	-39.6	-177.9	172.6	0	0	0	0	111.5	L15 Y16 L17 T21 P23	L15-V19 WeakPolarHBondContact O-CB 3.33Å; L15-V19 VanDerWaalsContact O-CG2 3.29Å; L15-V19 WeakPolarHBondContact O-CG2 3.46Å; L15-V19 PolarHBondContact O-N 3.37Å; Y16-V19 PolarHBondContact O-N 2.89Å; L17-V19 PolarHBondContact O-N 2.85Å; V19-T21 VanDerWaalsContact C-N 3.31Å; V19-T21 PolarHBondContact O-N 3.42Å; V19-P23 WeakPolarHBondContact O-CD 3.19Å; V19-P23 WeakPolarHBondContact O-CG 3.37Å
20	R	80.4	Confident	83.7	Confident	177 Å²	177	53.7 Å²	53.7	67%	0.668	29%	0.285	S	S	*	.	H	α-helix	trans	-64.9	-34.2	175.2	-178	-176.7	176.9	-169.8	-1	112.6	Y16 L17	Y16-R20 WeakPolarHBondContact O-CB 3.41Å; Y16-R20 PolarHBondContact O-N 3.39Å; L17-R20 PolarHBondContact O-N 3.48Å
21	T	78.3	Confident	83.8	Confident	36 Å²	36	58.1 Å²	58.1	22%	0.221	31%	0.308	C	S	.	.	H	α-helix	trans	-84.6	-50.1	-171.7	-57.7	0	0	0	0	112.4	L17 I18 V19 L137 T141 F145	L17-T21 WeakPolarHBondContact O-CB 3.46Å; L17-T21 PolarHBondContact O-N 2.83Å; L17-T21 PolarHBondContact O-OG1 3.09Å; I18-T21 PolarHBondContact O-N 2.84Å; V19-T21 VanDerWaalsContact C-N 3.31Å; V19-T21 PolarHBondContact O-N 3.42Å; T21-L137 HydrophobicContact CG2-CD1 4.44Å; T21-T141 HydrophobicContact CG2-CG2 3.64Å; T21-T141 WeakPolarHBondContact CG2-O 3.44Å; T21-F145 HydrophobicContact CG2-CD2 3.95Å
22	S	81.3	Confident	84	Confident	12 Å²	12	56 Å²	56	8%	0.084	30%	0.299	C	S	.	.			trans	-158.1	100.4	173	-178.2	0	0	0	0	110.4	I18 G24 L25 G26 Q131	I18-S22 PolarHBondContact O-N 3.23Å; S22-G24 PolarHBondContact O-N 3.38Å; S22-L25 PolarHBondContact O-N 2.65Å; S22-G26 PolarHBondContact O-N 3.35Å; S22-Q131 PolarHBondContact OG-OE1 2.87Å
23	P	78.2	Confident	84.2	Confident	92 Å²	92	55.1 Å²	55.1	60%	0.597	29%	0.286	S	S	*	.	H	α-helix	trans	-55.4	-36	177.2	-25.2	32	0	0	0	113.2	V19 G26 M27	V19-P23 WeakPolarHBondContact O-CD 3.19Å; V19-P23 WeakPolarHBondContact O-CG 3.37Å; P23-G26 PolarHBondContact O-N 3.3Å; P23-M27 PolarHBondContact O-N 3.27Å
24	G	79.8	Confident	84.4	Confident	49 Å²	49	54.5 Å²	54.5	51%	0.505	29%	0.289	S	S	.	.	H	α-helix	trans	-64.8	-42.5	179.5	0	0	0	0	0	113	S22 G26	S22-G24 PolarHBondContact O-N 3.38Å; G24-G26 VanDerWaalsContact C-N 3.35Å
25	L	81.6	Confident	84.7	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-72	-30.9	173.5	-64	178	0	0	0	112.1	S22 M27 Y28 N127 L137 L142 F145	S22-L25 PolarHBondContact O-N 2.65Å; L25-M27 PolarHBondContact O-N 2.81Å; L25-Y28 HydrophobicContact CD2-CE2 4.39Å; L25-Y28 WeakPolarHBondContact O-CD2 3.11Å; L25-Y28 PolarHBondContact O-N 3.11Å; L25-N127 HydrophobicContact CD2-CB 3.62Å; L25-L137 HydrophobicContact CD1-CD2 3.76Å; L25-L142 HydrophobicContact CD1-CD1 3.85Å; L25-L142 HydrophobicContact CD1-CD2 3.98Å; L25-F145 HydrophobicContact CB-CE1 3.51Å; L25-F145 HydrophobicContact CB-CE2 4.19Å; L25-F145 HydrophobicContact CB-CZ 3.27Å; L25-F145 HydrophobicContact CD1-CD1 4.46Å; L25-F145 HydrophobicContact CD1-CE1 4.04Å; L25-F145 HydrophobicContact CD1-CZ 4.22Å; L25-F145 HydrophobicContact CG-CE1 4.41Å; L25-F145 HydrophobicContact CG-CZ 4.39Å
26	G	83.9	Confident	84.9	Confident	5 Å²	5	57.2 Å²	57.2	5%	0.052	30%	0.302	C	S	.	.	H	α-helix	trans	-59.9	-23.5	176.8	0	0	0	0	0	114.2	I18 S22 P23 G24 Y28 V29 L30	I18-G26 VanDerWaalsContact CG2-CA 3.45Å; S22-G26 PolarHBondContact O-N 3.35Å; P23-G26 PolarHBondContact O-N 3.3Å; G24-G26 VanDerWaalsContact C-N 3.35Å; G26-Y28 VanDerWaalsContact C-N 3.31Å; G26-Y28 PolarHBondContact O-N 3.05Å; G26-V29 WeakPolarHBondContact O-CB 2.98Å; G26-V29 PolarHBondContact O-N 3.23Å; G26-V29 VanDerWaalsContact O-N 3.16Å; G26-L30 PolarHBondContact O-N 2.77Å; G26-L30 VanDerWaalsContact O-N 3.11Å
27	M	85.2	Confident	85	Confident	119 Å²	119	54.7 Å²	54.7	59%	0.586	30%	0.298	S	S	*	.	H	α-helix	trans	-62.3	-34.5	175.7	-167.6	171.5	-177.1	0	0	112.9	P23 L25 V29 L30 L31	P23-M27 PolarHBondContact O-N 3.27Å; L25-M27 PolarHBondContact O-N 2.81Å; M27-V29 VanDerWaalsContact C-N 3.28Å; M27-V29 PolarHBondContact O-N 3.16Å; M27-L30 PolarHBondContact O-N 3.13Å; M27-L31 HydrophobicContact CG-CD1 4.5Å; M27-L31 WeakPolarHBondContact O-CG 3.45Å; M27-L31 PolarHBondContact O-N 3.26Å
28	Y	86.8	Confident	85.2	Confident	59 Å²	59	58.4 Å²	58.4	23%	0.231	32%	0.317	C	S	.	.	H	α-helix	trans	-65.7	-32.9	175.8	-62.1	-67.3	0	0	0	112.4	L25 G26 L31 A32 L123 I124 N127	L25-Y28 HydrophobicContact CD2-CE2 4.39Å; L25-Y28 WeakPolarHBondContact O-CD2 3.11Å; L25-Y28 PolarHBondContact O-N 3.11Å; G26-Y28 VanDerWaalsContact C-N 3.31Å; G26-Y28 PolarHBondContact O-N 3.05Å; Y28-L31 PolarHBondContact O-N 3.49Å; Y28-A32 PolarHBondContact O-N 2.91Å; Y28-A32 VanDerWaalsContact O-N 3.13Å; Y28-L123 HydrophobicContact CD1-CB 4.16Å; Y28-L123 HydrophobicContact CD1-CD1 4.13Å; Y28-L123 HydrophobicContact CE1-CB 4.34Å; Y28-L123 HydrophobicContact CE1-CD1 4.47Å; Y28-I124 HydrophobicContact CD2-CD1 4.5Å; Y28-I124 HydrophobicContact CD2-CG1 3.81Å; Y28-I124 HydrophobicContact CG-CD1 4.41Å; Y28-I124 HydrophobicContact CG-CG1 4.15Å; Y28-N127 HydrophobicContact CE2-CB 4.01Å; Y28-N127 PolarHBondContact OH-ND2 3.46Å; Y28-N127 VanDerWaalsContact OH-ND2 3.09Å; Y28-N127 PolarHBondContact OH-OD1 2.96Å
29	V	85.7	Confident	85.4	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.006	33%	0.333	C	S	.	.	H	α-helix	trans	-66.7	-49.7	173.3	-170.8	0	0	0	0	109.5	I18 G26 M27 L31 A32 L33 I149 L153	I18-V29 HydrophobicContact CD1-CG1 4.31Å; I18-V29 HydrophobicContact CD1-CG2 4.21Å; I18-V29 HydrophobicContact CG2-CG2 4.34Å; G26-V29 WeakPolarHBondContact O-CB 2.98Å; G26-V29 PolarHBondContact O-N 3.23Å; G26-V29 VanDerWaalsContact O-N 3.16Å; M27-V29 VanDerWaalsContact C-N 3.28Å; M27-V29 PolarHBondContact O-N 3.16Å; V29-L31 PolarHBondContact O-N 3.41Å; V29-A32 WeakPolarHBondContact O-CB 3.49Å; V29-A32 PolarHBondContact O-N 3.47Å; V29-L33 WeakPolarHBondContact O-CG 3.36Å; V29-L33 PolarHBondContact O-N 2.74Å; V29-I149 HydrophobicContact CG2-CD1 3.51Å; V29-I149 HydrophobicContact CG2-CG1 3.58Å; V29-L153 HydrophobicContact CG1-CD2 4.04Å
30	L	85.8	Confident	85.7	Confident	102 Å²	102	57.8 Å²	57.8	53%	0.534	32%	0.318	S	S	.	.	H	α-helix	trans	-58.8	-30.7	177.5	-72.5	168.9	0	0	0	113.4	G26 M27 L33 P34	G26-L30 PolarHBondContact O-N 2.77Å; G26-L30 VanDerWaalsContact O-N 3.11Å; M27-L30 PolarHBondContact O-N 3.13Å; L30-L33 HydrophobicContact CD2-CD1 4.46Å; L30-P34 WeakPolarHBondContact O-CD 3.31Å
31	L	89	Confident	86	Confident	101 Å²	101	53.9 Å²	53.9	53%	0.529	31%	0.309	S	S	.	.	H	α-helix	trans	-75.9	-29.5	173	-70	170.3	0	0	0	113.3	M27 Y28 V29	M27-L31 HydrophobicContact CG-CD1 4.5Å; M27-L31 WeakPolarHBondContact O-CG 3.45Å; M27-L31 PolarHBondContact O-N 3.26Å; Y28-L31 PolarHBondContact O-N 3.49Å; V29-L31 PolarHBondContact O-N 3.41Å
32	A	89.5	Confident	86.6	Confident	2 Å²	2	55.6 Å²	55.6	2%	0.017	32%	0.317	C	S	.	.	H	α-helix	trans	-77.5	-31	177.7	0	0	0	0	0	113.2	Y28 V29 I35 L36 L116 V120 L153	Y28-A32 PolarHBondContact O-N 2.91Å; Y28-A32 VanDerWaalsContact O-N 3.13Å; V29-A32 WeakPolarHBondContact O-CB 3.49Å; V29-A32 PolarHBondContact O-N 3.47Å; A32-I35 PolarHBondContact O-N 2.87Å; A32-L36 PolarHBondContact O-N 3.12Å; A32-L116 HydrophobicContact CB-CD2 4.32Å; A32-V120 HydrophobicContact CB-CG2 3.64Å; A32-L153 HydrophobicContact CB-CD1 4.49Å; A32-L153 HydrophobicContact CB-CD2 3.89Å
33	L	89	Confident	87	Confident	17 Å²	17	57 Å²	57	9%	0.089	32%	0.323	C	S	.	.	H	α-helix	trans	-59.3	-46.4	-177.9	-62.9	179	0	0	0	113.6	F11 V29 L30 I35 L36 L37 L153 F156	F11-L33 HydrophobicContact CE2-CD1 4.05Å; F11-L33 HydrophobicContact CE2-CD2 4.13Å; F11-L33 HydrophobicContact CZ-CD1 3.9Å; V29-L33 WeakPolarHBondContact O-CG 3.36Å; V29-L33 PolarHBondContact O-N 2.74Å; L30-L33 HydrophobicContact CD2-CD1 4.46Å; L33-I35 VanDerWaalsContact C-N 3.31Å; L33-I35 PolarHBondContact O-N 2.8Å; L33-L36 PolarHBondContact O-N 3.37Å; L33-L37 WeakPolarHBondContact O-CB 3.46Å; L33-L37 PolarHBondContact O-N 3.21Å; L33-L153 HydrophobicContact CD2-CD2 3.86Å; L33-F156 HydrophobicContact CB-CE2 4.35Å; L33-F156 HydrophobicContact CB-CZ 4.33Å; L33-F156 HydrophobicContact CD2-CB 3.77Å; L33-F156 HydrophobicContact CD2-CD1 4.11Å; L33-F156 HydrophobicContact CD2-CD2 3.65Å; L33-F156 HydrophobicContact CD2-CE2 4.22Å; L33-F156 HydrophobicContact CD2-CG 3.56Å; L33-F156 HydrophobicContact CG-CD2 4.49Å; L33-F156 VanDerWaalsContact O-CE1 3.3Å; L33-F156 WeakPolarHBondContact O-CE1 3.5Å
34	P	90	Very high	87.3	Confident	80 Å²	80	53.8 Å²	53.8	52%	0.519	30%	0.303	S	S	.	.	H	α-helix	trans	-62.8	-35.3	175.1	-23.8	34.2	0	0	0	113.3	L30 L37 L38	L30-P34 WeakPolarHBondContact O-CD 3.31Å; P34-L37 PolarHBondContact O-N 3.03Å; P34-L38 WeakPolarHBondContact O-CB 3.44Å; P34-L38 PolarHBondContact O-N 3.36Å
35	I	91.4	Very high	87.8	Confident	97 Å²	97	58.5 Å²	58.5	50%	0.497	31%	0.31	S	S	.	.	H	α-helix	trans	-68.2	-43.9	178.4	-59	173.8	0	0	0	110.1	A32 L33 A39 L116	A32-I35 PolarHBondContact O-N 2.87Å; L33-I35 VanDerWaalsContact C-N 3.31Å; L33-I35 PolarHBondContact O-N 2.8Å; I35-A39 WeakPolarHBondContact O-CB 3.38Å; I35-A39 PolarHBondContact O-N 2.93Å; I35-L116 HydrophobicContact CB-CD2 4.15Å; I35-L116 HydrophobicContact CD1-CD1 4.37Å; I35-L116 HydrophobicContact CG2-CD1 4.15Å; I35-L116 HydrophobicContact CG2-CD2 3.95Å
36	L	89.4	Confident	88.2	Confident	9 Å²	9	65.2 Å²	65.2	5%	0.047	34%	0.337	C	S	.	.	H	α-helix	trans	-61.4	-43.5	172	-75	175.3	0	0	0	111.9	A32 L33 L38 A39 V40 F113 L116 L153 F156	A32-L36 PolarHBondContact O-N 3.12Å; L33-L36 PolarHBondContact O-N 3.37Å; L36-L38 PolarHBondContact O-N 2.58Å; L36-A39 PolarHBondContact O-N 2.86Å; L36-V40 WeakPolarHBondContact O-CG2 3.41Å; L36-V40 PolarHBondContact O-N 3.31Å; L36-F113 HydrophobicContact CD2-CD2 3.9Å; L36-L116 HydrophobicContact CD1-CD2 4.46Å; L36-L116 HydrophobicContact CD2-CD2 3.63Å; L36-L116 HydrophobicContact CG-CD2 3.57Å; L36-L153 HydrophobicContact CD1-CB 3.94Å; L36-L153 HydrophobicContact CD1-CD2 3.69Å; L36-L153 HydrophobicContact CD1-CG 4.32Å; L36-F156 HydrophobicContact CB-CD1 3.79Å; L36-F156 HydrophobicContact CB-CE1 4.04Å; L36-F156 HydrophobicContact CD1-CD1 4.24Å
37	L	87.8	Confident	88.5	Confident	79 Å²	79	66.1 Å²	66.1	41%	0.414	34%	0.342	S	S	.	.	H	α-helix	trans	-61.7	-47.1	-179.3	-170.3	61.6	0	0	0	110.6	L33 P34 V40 I41 F156	L33-L37 WeakPolarHBondContact O-CB 3.46Å; L33-L37 PolarHBondContact O-N 3.21Å; P34-L37 PolarHBondContact O-N 3.03Å; L37-V40 PolarHBondContact O-N 3.32Å; L37-I41 HydrophobicContact CD1-CD1 4.21Å; L37-I41 HydrophobicContact CG-CD1 3.85Å; L37-I41 WeakPolarHBondContact O-CB 3.44Å; L37-I41 VanDerWaalsContact O-CG1 3.23Å; L37-I41 WeakPolarHBondContact O-CG1 3.18Å; L37-I41 PolarHBondContact O-N 2.85Å; L37-F156 HydrophobicContact CB-CE1 3.72Å; L37-F156 HydrophobicContact CB-CZ 3.87Å; L37-F156 HydrophobicContact CD1-CE1 4.08Å; L37-F156 HydrophobicContact CD1-CZ 3.92Å; L37-F156 HydrophobicContact CD2-CZ 4.48Å; L37-F156 HydrophobicContact CG-CE1 4.45Å; L37-F156 HydrophobicContact CG-CZ 4.3Å
38	L	90.6	Very high	88.6	Confident	108 Å²	108	67 Å²	67	57%	0.565	35%	0.345	S	S	*	.	H	α-helix	trans	-59.1	-47.1	174.7	-170.8	82.6	0	0	0	111.1	P34 L36 V40 I41 L42	P34-L38 WeakPolarHBondContact O-CB 3.44Å; P34-L38 PolarHBondContact O-N 3.36Å; L36-L38 PolarHBondContact O-N 2.58Å; L38-V40 PolarHBondContact O-N 2.8Å; L38-I41 PolarHBondContact O-N 3.49Å; L38-L42 HydrophobicContact CD2-CD1 4.34Å; L38-L42 HydrophobicContact CG-CD1 4.06Å; L38-L42 HydrophobicContact CG-CG 4.44Å; L38-L42 WeakPolarHBondContact O-CB 3.41Å; L38-L42 VanDerWaalsContact O-CG 3.26Å; L38-L42 WeakPolarHBondContact O-CG 3.35Å; L38-L42 PolarHBondContact O-N 3.47Å
39	A	88.7	Confident	88.8	Confident	43 Å²	43	67.8 Å²	67.8	36%	0.355	36%	0.357	S	S	.	.	H	α-helix	trans	-60.3	-43.8	179.3	0	0	0	0	0	112.1	I35 L36 I43	I35-A39 WeakPolarHBondContact O-CB 3.38Å; I35-A39 PolarHBondContact O-N 2.93Å; L36-A39 PolarHBondContact O-N 2.86Å; A39-I43 WeakPolarHBondContact O-CB 2.85Å; A39-I43 WeakPolarHBondContact O-CD1 3.09Å; A39-I43 VanDerWaalsContact O-CG1 3.26Å; A39-I43 WeakPolarHBondContact O-CG1 2.38Å; A39-I43 PolarHBondContact O-N 2.77Å
40	V	86.8	Confident	89.1	Confident	24 Å²	24	69.9 Å²	69.9	15%	0.145	37%	0.368	C	S	.	.	H	α-helix	trans	-68.1	-43.8	176.5	-178.6	0	0	0	0	111.6	L36 L37 L38 L42 I43 A44 A160 M164	L36-V40 WeakPolarHBondContact O-CG2 3.41Å; L36-V40 PolarHBondContact O-N 3.31Å; L37-V40 PolarHBondContact O-N 3.32Å; L38-V40 PolarHBondContact O-N 2.8Å; V40-L42 VanDerWaalsContact C-N 3.3Å; V40-L42 PolarHBondContact O-N 3.07Å; V40-I43 PolarHBondContact O-N 3.32Å; V40-A44 WeakPolarHBondContact O-CB 3.15Å; V40-A44 PolarHBondContact O-N 3.48Å; V40-A160 HydrophobicContact CB-CB 3.98Å; V40-A160 HydrophobicContact CG1-CB 3.59Å; V40-A160 HydrophobicContact CG2-CB 3.96Å; V40-M164 HydrophobicContact CG1-CE 4.06Å
41	I	87.8	Confident	89.4	Confident	95 Å²	95	67.9 Å²	67.9	49%	0.487	36%	0.362	S	S	.	.	H	α-helix	trans	-59.8	-42	177.6	-70.4	167.7	0	0	0	110.8	L37 L38 K45	L37-I41 HydrophobicContact CD1-CD1 4.21Å; L37-I41 HydrophobicContact CG-CD1 3.85Å; L37-I41 WeakPolarHBondContact O-CB 3.44Å; L37-I41 VanDerWaalsContact O-CG1 3.23Å; L37-I41 WeakPolarHBondContact O-CG1 3.18Å; L37-I41 PolarHBondContact O-N 2.85Å; L38-I41 PolarHBondContact O-N 3.49Å; I41-K45 WeakPolarHBondContact O-CB 3.43Å; I41-K45 PolarHBondContact O-N 2.78Å
42	L	90.2	Very high	89.4	Confident	73 Å²	73	67.4 Å²	67.4	38%	0.382	36%	0.364	S	S	.	.	H	α-helix	trans	-64.8	-48.8	175.8	-70.6	174.4	0	0	0	111.5	L38 V40 A44 K45 Y46	L38-L42 HydrophobicContact CD2-CD1 4.34Å; L38-L42 HydrophobicContact CG-CD1 4.06Å; L38-L42 HydrophobicContact CG-CG 4.44Å; L38-L42 WeakPolarHBondContact O-CB 3.41Å; L38-L42 VanDerWaalsContact O-CG 3.26Å; L38-L42 WeakPolarHBondContact O-CG 3.35Å; L38-L42 PolarHBondContact O-N 3.47Å; V40-L42 VanDerWaalsContact C-N 3.3Å; V40-L42 PolarHBondContact O-N 3.07Å; L42-A44 VanDerWaalsContact C-N 3.33Å; L42-A44 PolarHBondContact O-N 2.6Å; L42-K45 PolarHBondContact O-N 3.42Å; L42-Y46 HydrophobicContact CB-CD2 4.42Å; L42-Y46 HydrophobicContact CB-CE2 4.41Å; L42-Y46 HydrophobicContact CD2-CE2 4.12Å; L42-Y46 WeakPolarHBondContact O-CD2 3.31Å; L42-Y46 PolarHBondContact O-N 2.87Å
43	I	89.4	Confident	89.6	Confident	42 Å²	42	73.2 Å²	73.2	22%	0.215	39%	0.389	C	S	.	.	H	α-helix	trans	-58.2	-46.8	177.9	-70.1	163.7	0	0	0	110.4	A39 V40 Y46 S47 A109	A39-I43 WeakPolarHBondContact O-CB 2.85Å; A39-I43 WeakPolarHBondContact O-CD1 3.09Å; A39-I43 VanDerWaalsContact O-CG1 3.26Å; A39-I43 WeakPolarHBondContact O-CG1 2.38Å; A39-I43 PolarHBondContact O-N 2.77Å; V40-I43 PolarHBondContact O-N 3.32Å; I43-Y46 PolarHBondContact O-N 3.07Å; I43-S47 WeakPolarHBondContact O-CB 3.31Å; I43-S47 PolarHBondContact O-N 3.35Å; I43-S47 PolarHBondContact O-OG 2.67Å; I43-A109 HydrophobicContact CD1-CB 3.89Å
44	A	85.6	Confident	89.8	Confident	23 Å²	23	73.9 Å²	73.9	19%	0.19	39%	0.391	C	S	.	.	H	α-helix	trans	-56.5	-54.3	176.6	0	0	0	0	0	111.2	V40 L42 Y46 S47 E48 M164	V40-A44 WeakPolarHBondContact O-CB 3.15Å; V40-A44 PolarHBondContact O-N 3.48Å; L42-A44 VanDerWaalsContact C-N 3.33Å; L42-A44 PolarHBondContact O-N 2.6Å; A44-Y46 VanDerWaalsContact C-N 3.29Å; A44-Y46 PolarHBondContact O-N 2.84Å; A44-S47 PolarHBondContact O-N 3.14Å; A44-S47 VanDerWaalsContact O-N 3.12Å; A44-S47 PolarHBondContact O-OG 3.19Å; A44-E48 PolarHBondContact O-N 2.99Å; A44-M164 HydrophobicContact CB-SD 3.69Å
45	K	88.7	Confident	89.8	Confident	148 Å²	148	74.4 Å²	74.4	64%	0.643	39%	0.387	S	S	*	.	H	α-helix	trans	-61.3	-30.8	-177.9	-174.3	174.8	-179.2	177.5	0	114	I41 L42 P49	I41-K45 WeakPolarHBondContact O-CB 3.43Å; I41-K45 PolarHBondContact O-N 2.78Å; L42-K45 PolarHBondContact O-N 3.42Å; K45-P49 WeakPolarHBondContact O-CD 3.45Å
46	Y	91.2	Very high	89.9	Confident	143 Å²	143	76.1 Å²	76.1	56%	0.561	39%	0.391	S	S	*	.	H	α-helix	trans	-88.4	-28.2	174.7	-70.3	-61.8	0	0	0	113.2	L42 I43 A44 L50 L105	L42-Y46 HydrophobicContact CB-CD2 4.42Å; L42-Y46 HydrophobicContact CB-CE2 4.41Å; L42-Y46 HydrophobicContact CD2-CE2 4.12Å; L42-Y46 WeakPolarHBondContact O-CD2 3.31Å; L42-Y46 PolarHBondContact O-N 2.87Å; I43-Y46 PolarHBondContact O-N 3.07Å; A44-Y46 VanDerWaalsContact C-N 3.29Å; A44-Y46 PolarHBondContact O-N 2.84Å; Y46-L50 WeakPolarHBondContact O-CG 3.04Å; Y46-L105 VanDerWaalsContact C-CD2 3.49Å
47	S	90.7	Very high	90.1	Very high	24 Å²	24	76.5 Å²	76.5	17%	0.168	39%	0.393	C	S	.	.	H	α-helix	trans	-77.1	-32.7	-179.9	68.7	0	0	0	0	113.2	I43 A44 L50 S51	I43-S47 WeakPolarHBondContact O-CB 3.31Å; I43-S47 PolarHBondContact O-N 3.35Å; I43-S47 PolarHBondContact O-OG 2.67Å; A44-S47 PolarHBondContact O-N 3.14Å; A44-S47 VanDerWaalsContact O-N 3.12Å; A44-S47 PolarHBondContact O-OG 3.19Å; S47-L50 PolarHBondContact O-N 2.64Å; S47-S51 VanDerWaalsContact O-CB 3.28Å; S47-S51 WeakPolarHBondContact O-CB 3.24Å; S47-S51 PolarHBondContact O-N 3.08Å
48	E	86.7	Confident	90.3	Very high	137 Å²	137	73.8 Å²	73.8	64%	0.64	38%	0.379	S	S	*	.	H	α-helix	trans	-56.5	-58.2	178	-178	173.9	-158.5	0	0	112.8	A44 L50 S51 T52	A44-E48 PolarHBondContact O-N 2.99Å; E48-L50 VanDerWaalsContact C-N 3.27Å; E48-L50 PolarHBondContact O-N 2.96Å; E48-S51 WeakPolarHBondContact O-CB 3.49Å; E48-S51 PolarHBondContact O-N 3.31Å; E48-S51 VanDerWaalsContact O-N 3.11Å; E48-T52 PolarHBondContact O-N 2.83Å; E48-T52 PolarHBondContact O-OG1 2.84Å; E48-T52 VanDerWaalsContact O-OG1 3.1Å
49	P	91.6	Very high	90.4	Very high	76 Å²	76	72.3 Å²	72.3	49%	0.494	37%	0.371	S	S	.	.	H	α-helix	trans	-65.1	-28.7	179.7	26	-35.6	0	0	0	113.5	K45 K53	K45-P49 WeakPolarHBondContact O-CD 3.45Å; P49-K53 VanDerWaalsContact O-CB 3.29Å; P49-K53 WeakPolarHBondContact O-CB 3.3Å; P49-K53 PolarHBondContact O-N 3.39Å
50	L	91.7	Very high	90.5	Very high	45 Å²	45	73.3 Å²	73.3	24%	0.236	37%	0.37	C	S	.	.	H	α-helix	trans	-70.7	-39.3	173.9	-70.2	176.1	0	0	0	111.6	Y46 S47 E48 K53 Q54 L102 L105	Y46-L50 WeakPolarHBondContact O-CG 3.04Å; S47-L50 PolarHBondContact O-N 2.64Å; E48-L50 VanDerWaalsContact C-N 3.27Å; E48-L50 PolarHBondContact O-N 2.96Å; L50-K53 PolarHBondContact O-N 3.14Å; L50-Q54 WeakPolarHBondContact O-CB 3.19Å; L50-Q54 PolarHBondContact O-N 3.29Å; L50-L102 HydrophobicContact CB-CB 4.24Å; L50-L102 HydrophobicContact CB-CD1 3.8Å; L50-L105 HydrophobicContact CD1-CB 4.49Å; L50-L105 HydrophobicContact CD1-CD2 3.97Å
51	S	90.7	Very high	90.9	Very high	59 Å²	59	72.1 Å²	72.1	41%	0.413	36%	0.363	S	S	.	.	H	α-helix	trans	-67.3	-42.8	175.3	-176.9	0	0	0	0	111.4	S47 E48 K53 Q54 Q55	S47-S51 VanDerWaalsContact O-CB 3.28Å; S47-S51 WeakPolarHBondContact O-CB 3.24Å; S47-S51 PolarHBondContact O-N 3.08Å; E48-S51 WeakPolarHBondContact O-CB 3.49Å; E48-S51 PolarHBondContact O-N 3.31Å; E48-S51 VanDerWaalsContact O-N 3.11Å; S51-K53 VanDerWaalsContact C-N 3.34Å; S51-K53 PolarHBondContact O-N 2.82Å; S51-Q54 PolarHBondContact O-N 3.42Å; S51-Q55 WeakPolarHBondContact O-CB 3.24Å; S51-Q55 PolarHBondContact O-N 3.04Å
52	T	89.6	Confident	91.1	Very high	91 Å²	91	69.2 Å²	69.2	56%	0.558	35%	0.349	S	S	*	.	H	α-helix	trans	-61.9	-41.1	172.5	-48.6	0	0	0	0	111.7	E48 Q55 K56	E48-T52 PolarHBondContact O-N 2.83Å; E48-T52 PolarHBondContact O-OG1 2.84Å; E48-T52 VanDerWaalsContact O-OG1 3.1Å; T52-Q55 PolarHBondContact O-N 2.97Å; T52-K56 WeakPolarHBondContact O-CB 3.16Å; T52-K56 PolarHBondContact O-N 3.41Å
53	K	93.1	Very high	91.1	Very high	125 Å²	125	66.5 Å²	66.5	54%	0.543	34%	0.339	S	S	.	.	H	α-helix	trans	-66	-41	176	-173.5	175.4	-179.2	177.3	0	112.2	P49 L50 S51 N57	P49-K53 VanDerWaalsContact O-CB 3.29Å; P49-K53 WeakPolarHBondContact O-CB 3.3Å; P49-K53 PolarHBondContact O-N 3.39Å; L50-K53 PolarHBondContact O-N 3.14Å; S51-K53 VanDerWaalsContact C-N 3.34Å; S51-K53 PolarHBondContact O-N 2.82Å; K53-N57 WeakPolarHBondContact O-CB 3.31Å; K53-N57 PolarHBondContact O-N 3.3Å; K53-N57 PolarHBondContact O-ND2 3.21Å
54	Q	93.5	Very high	91.2	Very high	30 Å²	30	65.4 Å²	65.4	14%	0.14	33%	0.333	C	S	.	.	H	α-helix	trans	-61.9	-46.9	174.6	-178.4	-172.7	18.9	0	0	111.2	L50 S51 N57 L58 Y95 S99	L50-Q54 WeakPolarHBondContact O-CB 3.19Å; L50-Q54 PolarHBondContact O-N 3.29Å; S51-Q54 PolarHBondContact O-N 3.42Å; Q54-N57 PolarHBondContact O-N 2.78Å; Q54-L58 PolarHBondContact O-N 3.36Å; Q54-Y95 HydrophobicContact CG-CD2 4.02Å; Q54-Y95 HydrophobicContact CG-CE2 3.52Å; Q54-S99 PolarHBondContact NE2-OG 2.89Å
55	Q	91.1	Very high	91.5	Very high	91 Å²	91	64.3 Å²	64.3	43%	0.425	32%	0.324	S	S	.	.	H	α-helix	trans	-60.5	-49.4	177.8	-172.3	63.1	57.3	0	0	111	S51 T52 N57 L58 D59	S51-Q55 WeakPolarHBondContact O-CB 3.24Å; S51-Q55 PolarHBondContact O-N 3.04Å; T52-Q55 PolarHBondContact O-N 2.97Å; Q55-N57 VanDerWaalsContact C-N 3.28Å; Q55-N57 PolarHBondContact O-N 3.21Å; Q55-L58 CarbonylContact O-C 3.56Å; Q55-L58 WeakPolarHBondContact O-CA 3.11Å; Q55-L58 WeakPolarHBondContact O-CB 3.5Å; Q55-L58 PolarHBondContact O-N 2.93Å; Q55-D59 PolarHBondContact NE2-OD1 2.93Å; Q55-D59 PolarHBondContact O-N 3.39Å
56	K	92.4	Very high	91.6	Very high	134 Å²	134	64 Å²	64	58%	0.583	32%	0.319	S	S	*	.	H	α-helix	trans	-58.9	-38.3	176.9	-173.6	172.9	-178.9	175.9	0	112.5	T52 D59 N60	T52-K56 WeakPolarHBondContact O-CB 3.16Å; T52-K56 PolarHBondContact O-N 3.41Å; K56-D59 PolarHBondContact O-N 3.2Å; K56-N60 PolarHBondContact O-N 2.92Å; K56-N60 PolarHBondContact O-OD1 3.37Å; K56-N60 VanDerWaalsContact O-OD1 3.14Å
57	N	94.3	Very high	91.5	Very high	17 Å²	17	57.5 Å²	57.5	9%	0.091	29%	0.294	C	S	.	.	H	α-helix	trans	-68.5	-34.4	175.5	-69.1	-19.8	0	0	0	112.4	K53 Q54 Q55 N60 I61 A94 Y95 S98	K53-N57 WeakPolarHBondContact O-CB 3.31Å; K53-N57 PolarHBondContact O-N 3.3Å; K53-N57 PolarHBondContact O-ND2 3.21Å; Q54-N57 PolarHBondContact O-N 2.78Å; Q55-N57 VanDerWaalsContact C-N 3.28Å; Q55-N57 PolarHBondContact O-N 3.21Å; N57-N60 PolarHBondContact O-N 3.45Å; N57-I61 WeakPolarHBondContact O-CG1 3.17Å; N57-I61 PolarHBondContact O-N 3.36Å; N57-A94 VanDerWaalsContact ND2-C 3.28Å; N57-A94 PolarHBondContact ND2-O 2.89Å; N57-Y95 HydrophobicContact CB-CD2 4.17Å; N57-S98 PolarHBondContact ND2-OG 3.14Å
58	L	92.9	Very high	91.6	Very high	22 Å²	22	56.5 Å²	56.5	12%	0.115	29%	0.286	C	S	.	.	H	α-helix	trans	-69.1	-38.5	173	-178	63.4	0	0	0	111.8	Q54 Q55 N60 I61 N62 Y95 T526	Q54-L58 PolarHBondContact O-N 3.36Å; Q55-L58 CarbonylContact O-C 3.56Å; Q55-L58 WeakPolarHBondContact O-CA 3.11Å; Q55-L58 WeakPolarHBondContact O-CB 3.5Å; Q55-L58 PolarHBondContact O-N 2.93Å; L58-N60 VanDerWaalsContact C-N 3.32Å; L58-I61 WeakPolarHBondContact O-CB 3.25Å; L58-I61 PolarHBondContact O-N 3.39Å; L58-N62 PolarHBondContact O-N 3.28Å; L58-N62 PolarHBondContact O-ND2 2.78Å; L58-Y95 HydrophobicContact CB-CD2 4.04Å; L58-Y95 HydrophobicContact CB-CE2 3.85Å; L58-Y95 HydrophobicContact CD1-CE2 4.28Å; L58-T526 HydrophobicContact CD1-CG2 3.92Å
59	D	90.7	Very high	91.8	Very high	77 Å²	77	50.4 Å²	50.4	41%	0.412	26%	0.258	S	S	.	.	H	α-helix	trans	-64.1	-39.8	175.2	-57.8	-25.4	0	0	0	110.2	Q55 K56 N62 G63	Q55-D59 PolarHBondContact NE2-OD1 2.93Å; Q55-D59 PolarHBondContact O-N 3.39Å; K56-D59 PolarHBondContact O-N 3.2Å; D59-N62 WeakPolarHBondContact O-CB 3.34Å; D59-N62 PolarHBondContact O-N 3.2Å; D59-G63 PolarHBondContact O-N 2.9Å
60	N	92.8	Very high	91.6	Very high	63 Å²	63	50.3 Å²	50.3	34%	0.337	26%	0.259	S	S	.	.	H	α-helix	trans	-64.8	-39.1	172.4	-69	6.2	0	0	0	113	K56 N57 L58 N62 G63 I64 V91	K56-N60 PolarHBondContact O-N 2.92Å; K56-N60 PolarHBondContact O-OD1 3.37Å; K56-N60 VanDerWaalsContact O-OD1 3.14Å; N57-N60 PolarHBondContact O-N 3.45Å; L58-N60 VanDerWaalsContact C-N 3.32Å; N60-N62 VanDerWaalsContact C-N 3.3Å; N60-N62 PolarHBondContact O-N 2.87Å; N60-G63 PolarHBondContact O-N 3.1Å; N60-I64 PolarHBondContact O-N 2.78Å; N60-V91 HydrophobicContact CB-CG1 3.47Å; N60-V91 VanDerWaalsContact CB-CG1 3.47Å
61	I	94.2	Very high	91.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58.9	-45.4	171.2	-72.7	174.5	0	0	0	109.7	N57 L58 G63 L65 F88 V91 Y95 T526	N57-I61 WeakPolarHBondContact O-CG1 3.17Å; N57-I61 PolarHBondContact O-N 3.36Å; L58-I61 WeakPolarHBondContact O-CB 3.25Å; L58-I61 PolarHBondContact O-N 3.39Å; I61-G63 VanDerWaalsContact C-N 3.29Å; I61-G63 PolarHBondContact O-N 3.06Å; I61-L65 HydrophobicContact CG2-CD1 3.76Å; I61-L65 WeakPolarHBondContact O-CB 2.93Å; I61-L65 WeakPolarHBondContact O-CD1 3.14Å; I61-L65 WeakPolarHBondContact O-CG 3.44Å; I61-L65 PolarHBondContact O-N 3.27Å; I61-L65 VanDerWaalsContact O-N 3.09Å; I61-F88 HydrophobicContact CG2-CE2 3.95Å; I61-F88 HydrophobicContact CG2-CZ 4.4Å; I61-V91 HydrophobicContact CG1-CG1 3.81Å; I61-Y95 HydrophobicContact CD1-CD1 4.14Å; I61-Y95 HydrophobicContact CD1-CG 3.87Å; I61-T526 HydrophobicContact CG2-CG2 4.1Å
62	N	91.5	Very high	91.5	Very high	33 Å²	33	45.7 Å²	45.7	18%	0.176	23%	0.23	C	C	.	.	H	α-helix	trans	-63.1	-35.6	177.2	-81.1	-54.8	0	0	0	112.8	L58 D59 N60 R66 L522 T526	L58-N62 PolarHBondContact O-N 3.28Å; L58-N62 PolarHBondContact O-ND2 2.78Å; D59-N62 WeakPolarHBondContact O-CB 3.34Å; D59-N62 PolarHBondContact O-N 3.2Å; N60-N62 VanDerWaalsContact C-N 3.3Å; N60-N62 PolarHBondContact O-N 2.87Å; N62-R66 VanDerWaalsContact O-CB 3.27Å; N62-R66 WeakPolarHBondContact O-CB 3.44Å; N62-R66 PolarHBondContact O-N 2.85Å; N62-R66 VanDerWaalsContact O-N 3.12Å; N62-L522 HydrophobicContact CB-CD1 4.28Å; N62-L522 VanDerWaalsContact OD1-CD1 3.31Å; N62-L522 WeakPolarHBondContact OD1-CD1 3.4Å; N62-L522 WeakPolarHBondContact OD1-CG 3.37Å; N62-T526 VanDerWaalsContact OD1-CG2 3.3Å; N62-T526 WeakPolarHBondContact OD1-CG2 3.22Å
63	G	90.6	Very high	91.6	Very high	17 Å²	17	44.4 Å²	44.4	18%	0.175	22%	0.215	C	C	.	.	H	α-helix	trans	-62.8	-61	176.3	0	0	0	0	0	111.7	D59 N60 I61 L65 R66 E67	D59-G63 PolarHBondContact O-N 2.9Å; N60-G63 PolarHBondContact O-N 3.1Å; I61-G63 VanDerWaalsContact C-N 3.29Å; I61-G63 PolarHBondContact O-N 3.06Å; G63-L65 VanDerWaalsContact C-N 3.32Å; G63-L65 PolarHBondContact O-N 3.47Å; G63-R66 WeakPolarHBondContact O-CB 3.37Å; G63-R66 PolarHBondContact O-N 3.34Å; G63-E67 VanDerWaalsContact O-CB 3.32Å; G63-E67 WeakPolarHBondContact O-CB 3.38Å; G63-E67 PolarHBondContact O-N 3.29Å
64	I	91.9	Very high	91.5	Very high	18 Å²	18	39 Å²	39	9%	0.092	19%	0.192	C	C	.	.	H	α-helix	trans	-57.8	-42.6	-179	-64.9	176.6	0	0	0	111.3	N60 R66 E67 N68 R87 F88 V91	N60-I64 PolarHBondContact O-N 2.78Å; I64-R66 PolarHBondContact O-N 2.8Å; I64-E67 WeakPolarHBondContact O-CB 3.24Å; I64-E67 PolarHBondContact O-N 3.18Å; I64-N68 WeakPolarHBondContact O-CB 3.1Å; I64-N68 PolarHBondContact O-N 3.17Å; I64-N68 PolarHBondContact O-OD1 3.36Å; I64-R87 HydrophobicContact CD1-CB 4.46Å; I64-F88 HydrophobicContact CG2-CB 4.22Å; I64-F88 HydrophobicContact CG2-CD2 4.3Å; I64-V91 HydrophobicContact CD1-CB 4.19Å; I64-V91 HydrophobicContact CD1-CG2 3.5Å; I64-V91 VanDerWaalsContact CD1-CG2 3.5Å
65	L	91.8	Very high	91.5	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-63.4	-40.8	176.3	-74.9	167.7	0	0	0	112.9	I61 G63 L69 F88 E502 I505 L522 V525	I61-L65 HydrophobicContact CG2-CD1 3.76Å; I61-L65 WeakPolarHBondContact O-CB 2.93Å; I61-L65 WeakPolarHBondContact O-CD1 3.14Å; I61-L65 WeakPolarHBondContact O-CG 3.44Å; I61-L65 PolarHBondContact O-N 3.27Å; I61-L65 VanDerWaalsContact O-N 3.09Å; G63-L65 VanDerWaalsContact C-N 3.32Å; G63-L65 PolarHBondContact O-N 3.47Å; L65-L69 WeakPolarHBondContact O-CB 3.41Å; L65-L69 WeakPolarHBondContact O-CD1 3.45Å; L65-L69 WeakPolarHBondContact O-CG 3.3Å; L65-L69 PolarHBondContact O-N 3.44Å; L65-F88 HydrophobicContact CD1-CE2 3.94Å; L65-F88 HydrophobicContact CD2-CD2 4.21Å; L65-F88 HydrophobicContact CD2-CE2 3.79Å; L65-F88 HydrophobicContact CG-CD2 4.19Å; L65-F88 HydrophobicContact CG-CE2 3.69Å; L65-E502 WeakPolarHBondContact CD2-OE2 3.46Å; L65-I505 HydrophobicContact CD2-CD1 4.36Å; L65-L522 HydrophobicContact CB-CD1 3.6Å; L65-L522 HydrophobicContact CD1-CD1 3.97Å; L65-L522 HydrophobicContact CG-CD1 4.47Å; L65-V525 HydrophobicContact CD1-CB 3.66Å; L65-V525 HydrophobicContact CD1-CG1 3.59Å; L65-V525 HydrophobicContact CD1-CG2 4.09Å; L65-V525 HydrophobicContact CD2-CG2 4.34Å
66	R	90.4	Very high	91.5	Very high	141 Å²	141	33.2 Å²	33.2	53%	0.532	17%	0.165	S	C	.	.	H	α-helix	trans	-65	-44.4	177.9	-172.7	-178	-55.1	-152.8	1.6	111	N62 G63 I64 L69 S70	N62-R66 VanDerWaalsContact O-CB 3.27Å; N62-R66 WeakPolarHBondContact O-CB 3.44Å; N62-R66 PolarHBondContact O-N 2.85Å; N62-R66 VanDerWaalsContact O-N 3.12Å; G63-R66 WeakPolarHBondContact O-CB 3.37Å; G63-R66 PolarHBondContact O-N 3.34Å; I64-R66 PolarHBondContact O-N 2.8Å; R66-L69 PolarHBondContact O-N 3.39Å; R66-S70 VanDerWaalsContact O-CB 3.27Å; R66-S70 WeakPolarHBondContact O-CB 3.3Å; R66-S70 PolarHBondContact O-N 3.49Å
67	E	89.8	Confident	91.4	Very high	7 Å²	7	26.9 Å²	26.9	3%	0.033	14%	0.138	C	C	.	.	H	α-helix	trans	-57.8	-50.2	175.7	175	167.4	109.3	0	0	111.2	G63 I64 L69 S70 G71 R87 W825 E828	G63-E67 VanDerWaalsContact O-CB 3.32Å; G63-E67 WeakPolarHBondContact O-CB 3.38Å; G63-E67 PolarHBondContact O-N 3.29Å; I64-E67 WeakPolarHBondContact O-CB 3.24Å; I64-E67 PolarHBondContact O-N 3.18Å; E67-L69 PolarHBondContact O-N 3.45Å; E67-S70 PolarHBondContact O-N 3.33Å; E67-G71 PolarHBondContact O-N 2.7Å; E67-R87 IonicContact OE1-CZ 3.82Å; E67-R87 VanDerWaalsContact OE1-CZ 3.26Å; E67-R87 IonicContact OE1-NH1 3.73Å; E67-R87 PolarHBondContact OE1-NH1 3.49Å; E67-R87 IonicContact OE1-NH2 2.75Å; E67-R87 PolarHBondContact OE1-NH2 3.03Å; E67-W825 HydrophobicContact CG-CZ2 3.66Å; E67-W825 PolarHBondContact O-NE1 3.22Å; E67-W825 VanDerWaalsContact O-NE1 3.14Å; E67-E828 VanDerWaalsContact OE2-CB 3.28Å; E67-E828 WeakPolarHBondContact OE2-CB 3.3Å; E67-E828 PolarHBondContact OE2-N 2.73Å
68	N	92.3	Very high	91.3	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.011	14%	0.138	C	C	.	.	H	α-helix	trans	-62.5	-42.7	177.6	-68.9	-4.9	0	0	0	112.7	I64 G71 L72 I75 E84 E502	I64-N68 WeakPolarHBondContact O-CB 3.1Å; I64-N68 PolarHBondContact O-N 3.17Å; I64-N68 PolarHBondContact O-OD1 3.36Å; N68-G71 PolarHBondContact O-N 3.01Å; N68-L72 VanDerWaalsContact O-CA 3.29Å; N68-L72 WeakPolarHBondContact O-CA 3.21Å; N68-L72 WeakPolarHBondContact O-CB 3.4Å; N68-L72 PolarHBondContact O-N 3.13Å; N68-I75 HydrophobicContact CB-CD1 4.1Å; N68-E84 PolarHBondContact OD1-OE2 2.96Å; N68-E502 PolarHBondContact ND2-OE1 3.48Å
69	L	90.8	Very high	91.3	Very high	10 Å²	10	28.2 Å²	28.2	5%	0.052	15%	0.146	C	C	.	.	H	α-helix	trans	-71.4	-31.2	178.2	-67.9	171.6	0	0	0	113.1	L65 R66 E67 I505 F513 Q518 I521	L65-L69 WeakPolarHBondContact O-CB 3.41Å; L65-L69 WeakPolarHBondContact O-CD1 3.45Å; L65-L69 WeakPolarHBondContact O-CG 3.3Å; L65-L69 PolarHBondContact O-N 3.44Å; R66-L69 PolarHBondContact O-N 3.39Å; E67-L69 PolarHBondContact O-N 3.45Å; L69-I505 HydrophobicContact CD2-CG2 4.32Å; L69-F513 HydrophobicContact CD2-CD1 3.59Å; L69-F513 HydrophobicContact CD2-CE1 3.46Å; L69-F513 VanDerWaalsContact CD2-CE1 3.46Å; L69-Q518 HydrophobicContact CB-CB 4.38Å; L69-Q518 HydrophobicContact CB-CG 4.1Å; L69-Q518 HydrophobicContact CD1-CB 4.32Å; L69-Q518 PolarHBondContact O-NE2 2.94Å; L69-I521 HydrophobicContact CD1-CB 3.97Å; L69-I521 HydrophobicContact CD1-CG2 3.93Å; L69-I521 HydrophobicContact CD2-CD1 4.03Å; L69-I521 HydrophobicContact CD2-CG2 4.11Å
70	S	87.6	Confident	91.4	Very high	73 Å²	73	25 Å²	25	51%	0.51	13%	0.129	S	C	.	.	H	α-helix	trans	-74.9	-40.3	173.9	-173.4	0	0	0	0	111.7	R66 E67	R66-S70 VanDerWaalsContact O-CB 3.27Å; R66-S70 WeakPolarHBondContact O-CB 3.3Å; R66-S70 PolarHBondContact O-N 3.49Å; E67-S70 PolarHBondContact O-N 3.33Å
71	G	89.6	Confident	91.5	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-90.4	2.6	-176.4	0	0	0	0	0	115.2	E67 N68 R73 V74 I75 W825	E67-G71 PolarHBondContact O-N 2.7Å; N68-G71 PolarHBondContact O-N 3.01Å; G71-R73 VanDerWaalsContact C-N 3.26Å; G71-R73 PolarHBondContact O-N 2.77Å; G71-V74 CarbonylContact O-C 3.56Å; G71-V74 WeakPolarHBondContact O-CA 3.42Å; G71-V74 WeakPolarHBondContact O-CB 3.12Å; G71-V74 PolarHBondContact O-N 3.45Å; G71-I75 PolarHBondContact O-N 3.16Å; G71-W825 VanDerWaalsContact CA-NE1 3.33Å
72	L	91.5	Very high	91.4	Very high	7 Å²	7	31.3 Å²	31.3	4%	0.037	15%	0.154	C	C	.	.	H	α-helix	trans	-48.5	-44.5	-165.9	-175	69.2	0	0	0	113.7	N68 V74 I75 R76 F513	N68-L72 VanDerWaalsContact O-CA 3.29Å; N68-L72 WeakPolarHBondContact O-CA 3.21Å; N68-L72 WeakPolarHBondContact O-CB 3.4Å; N68-L72 PolarHBondContact O-N 3.13Å; L72-V74 VanDerWaalsContact C-N 3.34Å; L72-V74 PolarHBondContact O-N 2.91Å; L72-I75 PolarHBondContact O-N 2.8Å; L72-R76 WeakPolarHBondContact O-CB 3.36Å; L72-R76 WeakPolarHBondContact O-CG 3.23Å; L72-R76 PolarHBondContact O-N 3.43Å; L72-F513 HydrophobicContact CD2-CB 4.07Å; L72-F513 HydrophobicContact CD2-CD1 4.07Å; L72-F513 HydrophobicContact CD2-CD2 3.25Å; L72-F513 HydrophobicContact CD2-CE1 4.37Å; L72-F513 HydrophobicContact CD2-CE2 3.61Å; L72-F513 HydrophobicContact CD2-CG 3.51Å; L72-F513 HydrophobicContact CD2-CZ 4.16Å
73	R	90.2	Very high	91.5	Very high	64 Å²	64	32.6 Å²	32.6	24%	0.242	16%	0.158	C	C	.	.	H	α-helix	trans	-64.4	-37.7	177.9	-65.6	-175.1	-173.1	177.4	4.3	112.1	G71 A77 V510 D514 F790 L821	G71-R73 VanDerWaalsContact C-N 3.26Å; G71-R73 PolarHBondContact O-N 2.77Å; R73-A77 WeakPolarHBondContact O-CB 3.45Å; R73-A77 PolarHBondContact O-N 3.22Å; R73-V510 HydrophobicContact CG-CG1 4.45Å; R73-D514 IonicContact NH2-OD1 3.76Å; R73-D514 PolarHBondContact NH2-OD1 2.94Å; R73-D514 IonicContact NH2-OD2 3.42Å; R73-D514 PolarHBondContact NH2-OD2 3.32Å; R73-F790 HydrophobicContact CB-CE2 3.82Å; R73-F790 HydrophobicContact CB-CZ 3.87Å; R73-F790 HydrophobicContact CG-CD2 4.28Å; R73-F790 HydrophobicContact CG-CE2 3.98Å; R73-F790 HydrophobicContact CG-CZ 4.34Å; R73-F790 VanDerWaalsContact O-CZ 3.26Å; R73-F790 WeakPolarHBondContact O-CZ 3.16Å; R73-L821 HydrophobicContact CB-CD1 4.28Å
74	V	91.2	Very high	91.7	Very high	10 Å²	10	31.8 Å²	31.8	6%	0.061	15%	0.15	C	C	.	.	H	α-helix	trans	-72.4	-44.5	177	-177.4	0	0	0	0	111.4	G71 L72 R76 A77 F78 L821 W825 F837	G71-V74 CarbonylContact O-C 3.56Å; G71-V74 WeakPolarHBondContact O-CA 3.42Å; G71-V74 WeakPolarHBondContact O-CB 3.12Å; G71-V74 PolarHBondContact O-N 3.45Å; L72-V74 VanDerWaalsContact C-N 3.34Å; L72-V74 PolarHBondContact O-N 2.91Å; V74-R76 VanDerWaalsContact C-N 3.29Å; V74-R76 PolarHBondContact O-N 3.42Å; V74-A77 PolarHBondContact O-N 2.94Å; V74-F78 HydrophobicContact CG1-CD2 3.78Å; V74-F78 HydrophobicContact CG1-CE2 3.9Å; V74-F78 WeakPolarHBondContact O-CD2 3.46Å; V74-F78 PolarHBondContact O-N 3.2Å; V74-F78 VanDerWaalsContact O-N 3.09Å; V74-L821 HydrophobicContact CG2-CD1 3.57Å; V74-L821 HydrophobicContact CG2-CG 4.41Å; V74-W825 HydrophobicContact CB-CE3 3.86Å; V74-W825 HydrophobicContact CB-CZ3 4.33Å; V74-W825 HydrophobicContact CG1-CE3 3.71Å; V74-W825 HydrophobicContact CG1-CZ3 4.04Å; V74-W825 HydrophobicContact CG2-CB 4.2Å; V74-W825 HydrophobicContact CG2-CE3 4.42Å; V74-F837 HydrophobicContact CG1-CE1 4.32Å
75	I	93	Very high	91.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-57.1	-45.7	176.8	-65.8	160.7	0	0	0	110.3	N68 G71 L72 V79 N80 E81 E84 W825 F837	N68-I75 HydrophobicContact CB-CD1 4.1Å; G71-I75 PolarHBondContact O-N 3.16Å; L72-I75 PolarHBondContact O-N 2.8Å; I75-V79 PolarHBondContact O-N 3.27Å; I75-V79 VanDerWaalsContact O-N 3.16Å; I75-N80 HydrophobicContact CG2-CB 4.43Å; I75-N80 PolarHBondContact O-N 3.27Å; I75-E81 HydrophobicContact CG2-CG 4.29Å; I75-E84 HydrophobicContact CD1-CG 4.1Å; I75-E84 HydrophobicContact CG1-CG 4.26Å; I75-E84 HydrophobicContact CG2-CG 4.12Å; I75-W825 HydrophobicContact CD1-CH2 3.96Å; I75-W825 HydrophobicContact CD1-CZ2 4.08Å; I75-W825 HydrophobicContact CG1-CH2 3.68Å; I75-W825 HydrophobicContact CG1-CZ2 4.28Å; I75-W825 HydrophobicContact CG1-CZ3 4.18Å; I75-F837 HydrophobicContact CB-CZ 4.45Å; I75-F837 HydrophobicContact CG1-CZ 3.95Å
76	R	91.7	Very high	92	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-67.4	-42.1	175.1	-68.1	-170.5	177.1	172.7	13	112.9	L72 V74 F78 V79 E81 I505 N506 L508 E724 F790 R814	L72-R76 WeakPolarHBondContact O-CB 3.36Å; L72-R76 WeakPolarHBondContact O-CG 3.23Å; L72-R76 PolarHBondContact O-N 3.43Å; V74-R76 VanDerWaalsContact C-N 3.29Å; V74-R76 PolarHBondContact O-N 3.42Å; R76-F78 PolarHBondContact O-N 3.47Å; R76-V79 PolarHBondContact O-N 3.21Å; R76-V79 VanDerWaalsContact O-N 3.07Å; R76-E81 HydrophobicContact CG-CG 4.38Å; R76-E81 WeakPolarHBondContact CG-OE1 3.4Å; R76-I505 PolarHBondContact NH2-O 3.16Å; R76-N506 PolarHBondContact NH2-O 2.74Å; R76-L508 PolarHBondContact NH1-O 3.15Å; R76-L508 PolarHBondContact NH2-O 3.44Å; R76-E724 IonicContact CZ-OE1 3.98Å; R76-E724 IonicContact NH1-OE1 2.88Å; R76-E724 PolarHBondContact NH1-OE1 3.46Å; R76-F790 HydrophobicContact CB-CE1 3.95Å; R76-R814 VanDerWaalsContact O-CD 3.3Å; R76-R814 WeakPolarHBondContact O-CD 3.38Å
77	A	90.6	Very high	92.1	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.008	16%	0.156	C	C	.	.	H	α-helix	trans	-58.3	-36.7	179.9	0	0	0	0	0	112.7	R73 V74 M788 F790 M819	R73-A77 WeakPolarHBondContact O-CB 3.45Å; R73-A77 PolarHBondContact O-N 3.22Å; V74-A77 PolarHBondContact O-N 2.94Å; A77-M788 HydrophobicContact CB-CE 3.52Å; A77-F790 HydrophobicContact CB-CZ 4.46Å; A77-M819 HydrophobicContact CB-CB 4.14Å; A77-M819 HydrophobicContact CB-CE 4.34Å; A77-M819 HydrophobicContact CB-SD 3.94Å
78	F	92.7	Very high	92.4	Very high	18 Å²	18	31.1 Å²	31.1	8%	0.079	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	9.8	176.7	-66.1	-79.1	0	0	0	113.9	V74 R76 N80 F837 R890	V74-F78 HydrophobicContact CG1-CD2 3.78Å; V74-F78 HydrophobicContact CG1-CE2 3.9Å; V74-F78 WeakPolarHBondContact O-CD2 3.46Å; V74-F78 PolarHBondContact O-N 3.2Å; V74-F78 VanDerWaalsContact O-N 3.09Å; R76-F78 PolarHBondContact O-N 3.47Å; F78-N80 VanDerWaalsContact C-N 3.3Å; F78-N80 PolarHBondContact O-N 2.98Å; F78-N80 PolarHBondContact O-OD1 3.08Å; F78-F837 HydrophobicContact CB-CD1 4.16Å; F78-F837 HydrophobicContact CB-CE1 4.11Å; F78-F837 HydrophobicContact CD2-CD1 4.18Å; F78-F837 HydrophobicContact CD2-CE1 4.34Å; F78-F837 HydrophobicContact CG-CD1 4.33Å; F78-R890 HydrophobicContact CE1-CG 4.03Å; F78-R890 HydrophobicContact CE2-CG 4.11Å; F78-R890 HydrophobicContact CZ-CG 3.77Å
79	V	92.3	Very high	92.6	Very high	50 Å²	50	35.2 Å²	35.2	30%	0.303	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	39.7	176.6	-160.6	0	0	0	0	113.4	I75 R76 E81 R814	I75-V79 PolarHBondContact O-N 3.27Å; I75-V79 VanDerWaalsContact O-N 3.16Å; R76-V79 PolarHBondContact O-N 3.21Å; R76-V79 VanDerWaalsContact O-N 3.07Å; V79-E81 VanDerWaalsContact CA-OE2 3.32Å; V79-E81 WeakPolarHBondContact CA-OE2 3.42Å; V79-R814 HydrophobicContact CG2-CB 4.04Å
80	N	93.7	Very high	92.9	Very high	10 Å²	10	40.5 Å²	40.5	5%	0.053	20%	0.198	C	C	.	.			trans	-102.6	14.9	-173.4	-78	-29.9	0	0	0	114.4	I75 F78 K82 F83 E84 F837 L840	I75-N80 HydrophobicContact CG2-CB 4.43Å; I75-N80 PolarHBondContact O-N 3.27Å; F78-N80 VanDerWaalsContact C-N 3.3Å; F78-N80 PolarHBondContact O-N 2.98Å; F78-N80 PolarHBondContact O-OD1 3.08Å; N80-K82 VanDerWaalsContact C-N 3.26Å; N80-K82 PolarHBondContact O-N 3.48Å; N80-F83 HydrophobicContact CB-CB 4.39Å; N80-F83 WeakPolarHBondContact O-CB 3.33Å; N80-F83 PolarHBondContact O-N 3.28Å; N80-E84 PolarHBondContact O-N 3.45Å; N80-F837 HydrophobicContact CB-CE1 4.01Å; N80-F837 HydrophobicContact CB-CE2 3.83Å; N80-F837 HydrophobicContact CB-CZ 3.47Å; N80-F837 VanDerWaalsContact CB-CZ 3.47Å; N80-F837 WeakPolarHBondContact ND2-CD1 3.42Å; N80-F837 WeakPolarHBondContact ND2-CD2 3.15Å; N80-F837 WeakPolarHBondContact ND2-CE1 3.38Å; N80-F837 WeakPolarHBondContact ND2-CE2 3.36Å; N80-F837 WeakPolarHBondContact ND2-CG 3.39Å; N80-F837 VanDerWaalsContact ND2-CZ 3.31Å; N80-F837 WeakPolarHBondContact ND2-CZ 3.25Å; N80-F837 PolarHBondContact ND2-O 3.3Å; N80-L840 VanDerWaalsContact OD1-CD1 3.27Å; N80-L840 WeakPolarHBondContact OD1-CD1 3.38Å
81	E	93.2	Very high	93.3	Very high	28 Å²	28	38.1 Å²	38.1	13%	0.131	18%	0.18	C	C	.	.	H	α-helix	trans	-53	-42.6	-179.2	-61.6	91.2	152.7	0	0	112	I75 R76 V79 F83 E84 E85 N506 R814	I75-E81 HydrophobicContact CG2-CG 4.29Å; R76-E81 HydrophobicContact CG-CG 4.38Å; R76-E81 WeakPolarHBondContact CG-OE1 3.4Å; V79-E81 VanDerWaalsContact CA-OE2 3.32Å; V79-E81 WeakPolarHBondContact CA-OE2 3.42Å; E81-F83 VanDerWaalsContact C-N 3.34Å; E81-F83 PolarHBondContact O-N 3.43Å; E81-E84 PolarHBondContact O-N 2.82Å; E81-E85 WeakPolarHBondContact O-CG 3.35Å; E81-E85 PolarHBondContact O-N 2.99Å; E81-N506 HydrophobicContact CB-CB 4.08Å; E81-N506 HydrophobicContact CG-CB 4.22Å; E81-R814 IonicContact OE1-NH1 3.19Å
82	K	93.2	Very high	93.6	Very high	167 Å²	167	38 Å²	38	73%	0.726	18%	0.18	S	C	*	.	H	α-helix	trans	-67.8	-28.8	178.5	-68.8	178.5	-179.8	169	0	114.4	N80 T86	N80-K82 VanDerWaalsContact C-N 3.26Å; N80-K82 PolarHBondContact O-N 3.48Å; K82-T86 PolarHBondContact O-N 2.85Å; K82-T86 PolarHBondContact O-OG1 3.18Å
83	F	93.9	Very high	93.9	Very high	60 Å²	60	40 Å²	40	26%	0.263	19%	0.19	S	C	.	.	H	α-helix	trans	-69.5	-45	175.8	168.8	-98	0	0	0	109.3	N80 E81 T86 R87 Y827 F837 L840	N80-F83 HydrophobicContact CB-CB 4.39Å; N80-F83 WeakPolarHBondContact O-CB 3.33Å; N80-F83 PolarHBondContact O-N 3.28Å; E81-F83 VanDerWaalsContact C-N 3.34Å; E81-F83 PolarHBondContact O-N 3.43Å; F83-T86 PolarHBondContact O-N 3.29Å; F83-R87 VanDerWaalsContact CE1-CD 3.41Å; F83-R87 HydrophobicContact CE1-CG 4.34Å; F83-R87 HydrophobicContact CZ-CG 4.38Å; F83-R87 PolarHBondContact O-N 3.48Å; F83-Y827 HydrophobicContact CE1-CE2 4.46Å; F83-F837 HydrophobicContact CD1-CD2 4.42Å; F83-F837 AromaticContact CD1-CE2 3.94Å; F83-F837 HydrophobicContact CD1-CE2 3.94Å; F83-F837 HydrophobicContact CE1-CD2 4.18Å; F83-F837 HydrophobicContact CE1-CE2 4.01Å; F83-L840 HydrophobicContact CB-CD1 3.76Å; F83-L840 HydrophobicContact CD2-CD1 3.85Å; F83-L840 HydrophobicContact CD2-CD2 4.02Å; F83-L840 HydrophobicContact CE2-CD2 4.09Å; F83-L840 HydrophobicContact CG-CD1 3.93Å; F83-L840 HydrophobicContact CG-CD2 4.29Å; F83-L840 HydrophobicContact CZ-CD2 4.42Å
84	E	93.6	Very high	94.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-68.6	-38.2	176.8	-64.3	-53.4	155.5	0	0	113.5	N68 I75 N80 E81 T86 R87 F88	N68-E84 PolarHBondContact OD1-OE2 2.96Å; I75-E84 HydrophobicContact CD1-CG 4.1Å; I75-E84 HydrophobicContact CG1-CG 4.26Å; I75-E84 HydrophobicContact CG2-CG 4.12Å; N80-E84 PolarHBondContact O-N 3.45Å; E81-E84 PolarHBondContact O-N 2.82Å; E84-T86 PolarHBondContact O-N 2.73Å; E84-R87 VanDerWaalsContact CD-NH1 3.33Å; E84-R87 PolarHBondContact O-N 2.95Å; E84-R87 IonicContact OE1-NH1 3.17Å; E84-R87 PolarHBondContact OE1-NH1 3.44Å; E84-R87 WeakPolarHBondContact OE2-CD 3.44Å; E84-R87 IonicContact OE2-CZ 2.7Å; E84-R87 IonicContact OE2-NE 2.77Å; E84-R87 IonicContact OE2-NH1 3.45Å; E84-R87 PolarHBondContact OE2-NH1 3.15Å; E84-F88 WeakPolarHBondContact O-CB 3.29Å; E84-F88 PolarHBondContact O-N 2.64Å
85	E	94.5	Very high	94.5	Very high	40 Å²	40	38.7 Å²	38.7	19%	0.187	19%	0.192	C	C	.	.	H	α-helix	trans	-55.8	-38.6	169.7	-74.1	172.8	-169.8	0	0	112	E81 R89 E502 N506	E81-E85 WeakPolarHBondContact O-CG 3.35Å; E81-E85 PolarHBondContact O-N 2.99Å; E85-R89 VanDerWaalsContact O-CB 3.23Å; E85-R89 WeakPolarHBondContact O-CB 3.47Å; E85-R89 PolarHBondContact O-N 3.39Å; E85-E502 HydrophobicContact CG-CG 4.48Å; E85-N506 WeakPolarHBondContact CG-ND2 3.41Å; E85-N506 PolarHBondContact OE1-ND2 3.33Å; E85-N506 VanDerWaalsContact OE1-ND2 3.08Å
86	T	95.2	Very high	94.6	Very high	66 Å²	66	38.7 Å²	38.7	41%	0.405	19%	0.192	S	C	.	.	H	α-helix	trans	-73.2	-40.9	178.7	-58.9	0	0	0	0	111.5	K82 F83 E84 R89 L90	K82-T86 PolarHBondContact O-N 2.85Å; K82-T86 PolarHBondContact O-OG1 3.18Å; F83-T86 PolarHBondContact O-N 3.29Å; E84-T86 PolarHBondContact O-N 2.73Å; T86-R89 PolarHBondContact O-N 2.8Å; T86-L90 WeakPolarHBondContact O-CG 3.49Å; T86-L90 PolarHBondContact O-N 3.01Å; T86-L90 VanDerWaalsContact O-N 3.15Å
87	R	93.5	Very high	94.9	Very high	46 Å²	46	43 Å²	43	17%	0.174	22%	0.215	C	C	.	.	H	α-helix	trans	-59.8	-48.4	172.5	-74.8	-178.5	68.5	-132.9	6.1	111	I64 E67 F83 E84 L90 V91 E828	I64-R87 HydrophobicContact CD1-CB 4.46Å; E67-R87 IonicContact OE1-CZ 3.82Å; E67-R87 VanDerWaalsContact OE1-CZ 3.26Å; E67-R87 IonicContact OE1-NH1 3.73Å; E67-R87 PolarHBondContact OE1-NH1 3.49Å; E67-R87 IonicContact OE1-NH2 2.75Å; E67-R87 PolarHBondContact OE1-NH2 3.03Å; F83-R87 VanDerWaalsContact CE1-CD 3.41Å; F83-R87 HydrophobicContact CE1-CG 4.34Å; F83-R87 HydrophobicContact CZ-CG 4.38Å; F83-R87 PolarHBondContact O-N 3.48Å; E84-R87 VanDerWaalsContact CD-NH1 3.33Å; E84-R87 PolarHBondContact O-N 2.95Å; E84-R87 IonicContact OE1-NH1 3.17Å; E84-R87 PolarHBondContact OE1-NH1 3.44Å; E84-R87 WeakPolarHBondContact OE2-CD 3.44Å; E84-R87 IonicContact OE2-CZ 2.7Å; E84-R87 IonicContact OE2-NE 2.77Å; E84-R87 IonicContact OE2-NH1 3.45Å; E84-R87 PolarHBondContact OE2-NH1 3.15Å; R87-L90 PolarHBondContact O-N 2.84Å; R87-V91 PolarHBondContact O-N 3.39Å; R87-E828 PolarHBondContact NH2-O 3.12Å
88	F	96	Very high	95	Very high	1 Å²	1	43.1 Å²	43.1	0%	0.004	22%	0.216	C	C	.	.	H	α-helix	trans	-59	-48.2	176.3	-178.1	-93.7	0	0	0	112.2	I61 I64 L65 E84 L90 V91 N92 R498 E502 V525	I61-F88 HydrophobicContact CG2-CE2 3.95Å; I61-F88 HydrophobicContact CG2-CZ 4.4Å; I64-F88 HydrophobicContact CG2-CB 4.22Å; I64-F88 HydrophobicContact CG2-CD2 4.3Å; L65-F88 HydrophobicContact CD1-CE2 3.94Å; L65-F88 HydrophobicContact CD2-CD2 4.21Å; L65-F88 HydrophobicContact CD2-CE2 3.79Å; L65-F88 HydrophobicContact CG-CD2 4.19Å; L65-F88 HydrophobicContact CG-CE2 3.69Å; E84-F88 WeakPolarHBondContact O-CB 3.29Å; E84-F88 PolarHBondContact O-N 2.64Å; F88-L90 VanDerWaalsContact C-N 3.33Å; F88-L90 PolarHBondContact O-N 2.83Å; F88-V91 PolarHBondContact O-N 2.93Å; F88-V91 VanDerWaalsContact O-N 3.14Å; F88-N92 HydrophobicContact CD1-CB 4.35Å; F88-N92 HydrophobicContact CE1-CB 4.07Å; F88-N92 WeakPolarHBondContact O-CB 3.32Å; F88-N92 PolarHBondContact O-N 3.45Å; F88-R498 HydrophobicContact CE1-CB 4.12Å; F88-R498 HydrophobicContact CZ-CB 4.1Å; F88-E502 HydrophobicContact CB-CG 3.99Å; F88-E502 HydrophobicContact CD1-CB 3.71Å; F88-E502 HydrophobicContact CD1-CG 3.73Å; F88-E502 HydrophobicContact CD2-CG 4.32Å; F88-E502 HydrophobicContact CE1-CB 3.83Å; F88-E502 HydrophobicContact CE1-CG 4.31Å; F88-E502 HydrophobicContact CG-CB 4.19Å; F88-E502 HydrophobicContact CG-CG 3.74Å; F88-E502 HydrophobicContact CZ-CB 4.39Å; F88-V525 HydrophobicContact CZ-CG1 4.18Å
89	R	97.2	Very high	95.1	Very high	88 Å²	88	42.2 Å²	42.2	33%	0.332	21%	0.212	S	C	.	.	H	α-helix	trans	-55.8	-44.8	179.5	-174.8	-171.4	-65.4	131.5	9.9	112.2	E85 T86 V91 N92 D93 E499	E85-R89 VanDerWaalsContact O-CB 3.23Å; E85-R89 WeakPolarHBondContact O-CB 3.47Å; E85-R89 PolarHBondContact O-N 3.39Å; T86-R89 PolarHBondContact O-N 2.8Å; R89-V91 VanDerWaalsContact C-N 3.3Å; R89-V91 PolarHBondContact O-N 3.45Å; R89-N92 PolarHBondContact O-N 2.95Å; R89-D93 WeakPolarHBondContact O-CB 3.07Å; R89-D93 PolarHBondContact O-N 2.91Å; R89-E499 IonicContact CZ-OE1 3.19Å; R89-E499 IonicContact NE-OE1 2.75Å; R89-E499 PolarHBondContact NE-OE1 3.26Å; R89-E499 IonicContact NE-OE2 3.52Å; R89-E499 IonicContact NH2-OE1 3.13Å; R89-E499 PolarHBondContact NH2-OE1 2.77Å
90	L	96.4	Very high	95.2	Very high	120 Å²	120	41.3 Å²	41.3	63%	0.628	20%	0.204	S	C	*	.	H	α-helix	trans	-58.4	-40.9	178.8	-71.8	170.6	0	0	0	112.3	T86 R87 F88 A94	T86-L90 WeakPolarHBondContact O-CG 3.49Å; T86-L90 PolarHBondContact O-N 3.01Å; T86-L90 VanDerWaalsContact O-N 3.15Å; R87-L90 PolarHBondContact O-N 2.84Å; F88-L90 VanDerWaalsContact C-N 3.33Å; F88-L90 PolarHBondContact O-N 2.83Å; L90-A94 WeakPolarHBondContact O-CB 3.26Å; L90-A94 PolarHBondContact O-N 3.38Å; L90-A94 VanDerWaalsContact O-N 3.07Å
91	V	95.4	Very high	95.3	Very high	23 Å²	23	43.5 Å²	43.5	14%	0.139	22%	0.22	C	C	.	.	H	α-helix	trans	-77.1	-37.9	178.6	-175.1	0	0	0	0	111.6	N60 I61 I64 R87 F88 R89 D93 A94 Y95	N60-V91 HydrophobicContact CB-CG1 3.47Å; N60-V91 VanDerWaalsContact CB-CG1 3.47Å; I61-V91 HydrophobicContact CG1-CG1 3.81Å; I64-V91 HydrophobicContact CD1-CB 4.19Å; I64-V91 HydrophobicContact CD1-CG2 3.5Å; I64-V91 VanDerWaalsContact CD1-CG2 3.5Å; R87-V91 PolarHBondContact O-N 3.39Å; F88-V91 PolarHBondContact O-N 2.93Å; F88-V91 VanDerWaalsContact O-N 3.14Å; R89-V91 VanDerWaalsContact C-N 3.3Å; R89-V91 PolarHBondContact O-N 3.45Å; V91-D93 PolarHBondContact O-N 2.9Å; V91-A94 WeakPolarHBondContact O-CB 3.09Å; V91-A94 PolarHBondContact O-N 2.96Å; V91-A94 VanDerWaalsContact O-N 3.16Å; V91-Y95 PolarHBondContact O-N 2.9Å
92	N	97.4	Very high	95.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.5	-42.6	173.5	-172.8	24.1	0	0	0	111.7	F88 R89 T96 R495	F88-N92 HydrophobicContact CD1-CB 4.35Å; F88-N92 HydrophobicContact CE1-CB 4.07Å; F88-N92 WeakPolarHBondContact O-CB 3.32Å; F88-N92 PolarHBondContact O-N 3.45Å; R89-N92 PolarHBondContact O-N 2.95Å; N92-T96 VanDerWaalsContact O-CB 3.24Å; N92-T96 WeakPolarHBondContact O-CB 3.29Å; N92-T96 PolarHBondContact O-N 3.45Å; N92-T96 PolarHBondContact O-OG1 3.25Å; N92-R495 WeakPolarHBondContact ND2-CG 3.29Å; N92-R495 PolarHBondContact ND2-O 3.33Å
93	D	97.9	Very high	95.2	Very high	49 Å²	49	36.8 Å²	36.8	26%	0.262	19%	0.191	S	C	.	.	H	α-helix	trans	-64.3	-41	171.7	-88.3	-35	0	0	0	111.9	R89 V91 T96 N97 R495	R89-D93 WeakPolarHBondContact O-CB 3.07Å; R89-D93 PolarHBondContact O-N 2.91Å; V91-D93 PolarHBondContact O-N 2.9Å; D93-T96 PolarHBondContact O-N 3.49Å; D93-N97 VanDerWaalsContact O-CB 3.32Å; D93-N97 WeakPolarHBondContact O-CB 3.09Å; D93-N97 VanDerWaalsContact O-CG 3.25Å; D93-N97 PolarHBondContact O-N 2.85Å; D93-N97 PolarHBondContact O-ND2 2.87Å; D93-R495 WeakPolarHBondContact OD1-CD 3.46Å; D93-R495 IonicContact OD1-NH1 3.65Å; D93-R495 PolarHBondContact OD1-NH1 3.13Å
94	A	97.1	Very high	95.1	Very high	37 Å²	37	36 Å²	36	31%	0.306	19%	0.188	S	C	.	.	H	α-helix	trans	-62.8	-46	176.6	0	0	0	0	0	112.1	N57 L90 V91 N97 S98	N57-A94 VanDerWaalsContact ND2-C 3.28Å; N57-A94 PolarHBondContact ND2-O 2.89Å; L90-A94 WeakPolarHBondContact O-CB 3.26Å; L90-A94 PolarHBondContact O-N 3.38Å; L90-A94 VanDerWaalsContact O-N 3.07Å; V91-A94 WeakPolarHBondContact O-CB 3.09Å; V91-A94 PolarHBondContact O-N 2.96Å; V91-A94 VanDerWaalsContact O-N 3.16Å; A94-N97 PolarHBondContact O-N 3.48Å; A94-S98 WeakPolarHBondContact O-CB 3.49Å; A94-S98 PolarHBondContact O-N 3.31Å; A94-S98 PolarHBondContact O-OG 3.49Å; A94-S98 VanDerWaalsContact O-OG 3.08Å
95	Y	95.8	Very high	95	Very high	8 Å²	8	37.8 Å²	37.8	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-56.9	-53.5	172.6	176.6	-104.9	0	0	0	110.6	Q54 N57 L58 I61 V91 N97 S98 S99 D530	Q54-Y95 HydrophobicContact CG-CD2 4.02Å; Q54-Y95 HydrophobicContact CG-CE2 3.52Å; N57-Y95 HydrophobicContact CB-CD2 4.17Å; L58-Y95 HydrophobicContact CB-CD2 4.04Å; L58-Y95 HydrophobicContact CB-CE2 3.85Å; L58-Y95 HydrophobicContact CD1-CE2 4.28Å; I61-Y95 HydrophobicContact CD1-CD1 4.14Å; I61-Y95 HydrophobicContact CD1-CG 3.87Å; V91-Y95 PolarHBondContact O-N 2.9Å; Y95-N97 VanDerWaalsContact C-N 3.34Å; Y95-N97 PolarHBondContact O-N 3.36Å; Y95-S98 WeakPolarHBondContact CA-OG 3.28Å; Y95-S98 PolarHBondContact O-N 2.88Å; Y95-S98 VanDerWaalsContact O-N 3.16Å; Y95-S98 PolarHBondContact O-OG 2.8Å; Y95-S99 VanDerWaalsContact O-CB 3.32Å; Y95-S99 WeakPolarHBondContact O-CB 3.25Å; Y95-S99 PolarHBondContact O-N 3.27Å; Y95-D530 PolarHBondContact OH-OD1 3.35Å; Y95-D530 VanDerWaalsContact OH-OD1 3.1Å
96	T	96.3	Very high	94.7	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	21%	0.211	C	C	.	.	H	α-helix	trans	-55.4	-45.8	179.9	-62.9	0	0	0	0	112.2	N92 D93 S99 K100 Q491 R495	N92-T96 VanDerWaalsContact O-CB 3.24Å; N92-T96 WeakPolarHBondContact O-CB 3.29Å; N92-T96 PolarHBondContact O-N 3.45Å; N92-T96 PolarHBondContact O-OG1 3.25Å; D93-T96 PolarHBondContact O-N 3.49Å; T96-S99 PolarHBondContact O-N 2.99Å; T96-K100 HydrophobicContact CG2-CD 4.16Å; T96-K100 WeakPolarHBondContact O-CB 3.09Å; T96-K100 VanDerWaalsContact O-CG 3.31Å; T96-K100 WeakPolarHBondContact O-CG 3.36Å; T96-K100 PolarHBondContact O-N 3.34Å; T96-Q491 HydrophobicContact CG2-CB 4.21Å; T96-R495 HydrophobicContact CG2-CB 4.06Å; T96-R495 WeakPolarHBondContact OG1-CB 3.2Å
97	N	96.6	Very high	94.5	Very high	89 Å²	89	38.3 Å²	38.3	48%	0.476	20%	0.2	S	C	.	.	H	α-helix	trans	-68.3	-40.4	178.8	-73.6	-37.2	0	0	0	112.6	D93 A94 Y95 S101	D93-N97 VanDerWaalsContact O-CB 3.32Å; D93-N97 WeakPolarHBondContact O-CB 3.09Å; D93-N97 VanDerWaalsContact O-CG 3.25Å; D93-N97 PolarHBondContact O-N 2.85Å; D93-N97 PolarHBondContact O-ND2 2.87Å; A94-N97 PolarHBondContact O-N 3.48Å; Y95-N97 VanDerWaalsContact C-N 3.34Å; Y95-N97 PolarHBondContact O-N 3.36Å; N97-S101 WeakPolarHBondContact O-CB 3.03Å; N97-S101 PolarHBondContact O-N 3.39Å; N97-S101 VanDerWaalsContact O-N 3.08Å; N97-S101 PolarHBondContact O-OG 2.79Å
98	S	94.4	Very high	94.3	Very high	4 Å²	4	39.5 Å²	39.5	3%	0.028	21%	0.212	C	C	.	.	H	α-helix	trans	-65.3	-40.3	174.5	59.3	0	0	0	0	112.4	N57 A94 Y95 S101 L102	N57-S98 PolarHBondContact ND2-OG 3.14Å; A94-S98 WeakPolarHBondContact O-CB 3.49Å; A94-S98 PolarHBondContact O-N 3.31Å; A94-S98 PolarHBondContact O-OG 3.49Å; A94-S98 VanDerWaalsContact O-OG 3.08Å; Y95-S98 WeakPolarHBondContact CA-OG 3.28Å; Y95-S98 PolarHBondContact O-N 2.88Å; Y95-S98 VanDerWaalsContact O-N 3.16Å; Y95-S98 PolarHBondContact O-OG 2.8Å; S98-S101 PolarHBondContact O-N 2.94Å; S98-L102 PolarHBondContact O-N 2.77Å
99	S	93.7	Very high	93.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.9	-49.7	176.5	-176.3	0	0	0	0	111.5	Q54 Y95 T96 S101 L102 F103 Q491	Q54-S99 PolarHBondContact NE2-OG 2.89Å; Y95-S99 VanDerWaalsContact O-CB 3.32Å; Y95-S99 WeakPolarHBondContact O-CB 3.25Å; Y95-S99 PolarHBondContact O-N 3.27Å; T96-S99 PolarHBondContact O-N 2.99Å; S99-S101 VanDerWaalsContact C-N 3.32Å; S99-S101 PolarHBondContact O-N 2.87Å; S99-L102 PolarHBondContact O-N 3.39Å; S99-L102 VanDerWaalsContact O-N 3.15Å; S99-F103 VanDerWaalsContact O-CD2 3.27Å; S99-F103 WeakPolarHBondContact O-CD2 3.37Å; S99-F103 PolarHBondContact O-N 2.9Å; S99-F103 WeakPolarHBondContact OG-CD2 3.46Å; S99-F103 WeakPolarHBondContact OG-CE2 3.46Å; S99-Q491 PolarHBondContact OG-OE1 3.49Å
100	K	95.3	Very high	93.4	Very high	30 Å²	30	42.4 Å²	42.4	13%	0.13	24%	0.237	C	C	.	.	H	α-helix	trans	-52.7	-49.2	173.5	-76.1	172.9	-178.7	174	0	111.5	T96 L102 F103 H104 Q491 S492	T96-K100 HydrophobicContact CG2-CD 4.16Å; T96-K100 WeakPolarHBondContact O-CB 3.09Å; T96-K100 VanDerWaalsContact O-CG 3.31Å; T96-K100 WeakPolarHBondContact O-CG 3.36Å; T96-K100 PolarHBondContact O-N 3.34Å; K100-L102 PolarHBondContact O-N 2.84Å; K100-F103 PolarHBondContact O-N 3.01Å; K100-H104 WeakPolarHBondContact O-CB 3.31Å; K100-H104 PolarHBondContact O-CD2 3.48Å; K100-H104 PolarHBondContact O-N 3.35Å; K100-H104 PolarHBondContact O-ND1 3.28Å; K100-Q491 HydrophobicContact CD-CB 4.43Å; K100-Q491 HydrophobicContact CG-CB 3.72Å; K100-Q491 HydrophobicContact CG-CG 4.1Å; K100-S492 PolarHBondContact NZ-OG 3.41Å
101	S	94.1	Very high	93	Very high	56 Å²	56	37 Å²	37	39%	0.392	21%	0.208	S	C	.	.	H	α-helix	trans	-60.9	-41.4	179.2	-56.7	0	0	0	0	112.7	N97 S98 S99 L105	N97-S101 WeakPolarHBondContact O-CB 3.03Å; N97-S101 PolarHBondContact O-N 3.39Å; N97-S101 VanDerWaalsContact O-N 3.08Å; N97-S101 PolarHBondContact O-OG 2.79Å; S98-S101 PolarHBondContact O-N 2.94Å; S99-S101 VanDerWaalsContact C-N 3.32Å; S99-S101 PolarHBondContact O-N 2.87Å; S101-L105 PolarHBondContact O-N 2.74Å; S101-L105 VanDerWaalsContact O-N 3.12Å
102	L	93	Very high	92.6	Very high	6 Å²	6	37.6 Å²	37.6	3%	0.031	22%	0.219	C	C	.	.	H	α-helix	trans	-65.6	-48.8	176.7	-178	67.3	0	0	0	111.6	L50 S98 S99 K100 H104 L105 M106	L50-L102 HydrophobicContact CB-CB 4.24Å; L50-L102 HydrophobicContact CB-CD1 3.8Å; S98-L102 PolarHBondContact O-N 2.77Å; S99-L102 PolarHBondContact O-N 3.39Å; S99-L102 VanDerWaalsContact O-N 3.15Å; K100-L102 PolarHBondContact O-N 2.84Å; L102-H104 VanDerWaalsContact C-N 3.33Å; L102-H104 PolarHBondContact O-N 3.42Å; L102-L105 PolarHBondContact O-N 2.88Å; L102-M106 HydrophobicContact CD1-CE 3.96Å; L102-M106 HydrophobicContact CD2-CE 4.17Å; L102-M106 HydrophobicContact CG-CE 4.04Å; L102-M106 WeakPolarHBondContact O-CG 3.21Å; L102-M106 PolarHBondContact O-N 2.84Å
103	F	92.2	Very high	92.3	Very high	48 Å²	48	38 Å²	38	21%	0.211	22%	0.221	C	C	.	.	H	α-helix	trans	-65.8	-34.1	179	-79	-68.7	0	0	0	112.5	S99 K100 M106 A107 A487 Q491 Q537	S99-F103 VanDerWaalsContact O-CD2 3.27Å; S99-F103 WeakPolarHBondContact O-CD2 3.37Å; S99-F103 PolarHBondContact O-N 2.9Å; S99-F103 WeakPolarHBondContact OG-CD2 3.46Å; S99-F103 WeakPolarHBondContact OG-CE2 3.46Å; K100-F103 PolarHBondContact O-N 3.01Å; F103-M106 PolarHBondContact O-N 3.3Å; F103-A107 VanDerWaalsContact O-CB 3.29Å; F103-A107 WeakPolarHBondContact O-CB 3.5Å; F103-A107 PolarHBondContact O-N 2.98Å; F103-A487 HydrophobicContact CB-CB 3.65Å; F103-Q491 HydrophobicContact CD2-CG 4.36Å; F103-Q537 HydrophobicContact CE1-CG 4.24Å
104	H	92.7	Very high	91.8	Very high	43 Å²	43	37.9 Å²	37.9	20%	0.199	22%	0.218	C	C	.	.	H	α-helix	trans	-61.4	-43.9	171.3	-68	168.5	0	0	0	111.7	K100 L102 A107 W484 N488	K100-H104 WeakPolarHBondContact O-CB 3.31Å; K100-H104 PolarHBondContact O-CD2 3.48Å; K100-H104 PolarHBondContact O-N 3.35Å; K100-H104 PolarHBondContact O-ND1 3.28Å; L102-H104 VanDerWaalsContact C-N 3.33Å; L102-H104 PolarHBondContact O-N 3.42Å; H104-A107 PolarHBondContact O-N 2.84Å; H104-W484 AromaticContact CD2-CD1 3.38Å; H104-W484 AromaticContact CD2-CG 3.92Å; H104-W484 AromaticContact CD2-NE1 3.91Å; H104-W484 AromaticContact CE1-CD1 3.55Å; H104-W484 AromaticContact CE1-CE2 3.88Å; H104-W484 AromaticContact CE1-NE1 3.22Å; H104-W484 PolarHBondContact CE1-NE1 2.91Å; H104-W484 AromaticContact CG-CD1 3.51Å; H104-W484 AromaticContact CG-NE1 3.87Å; H104-W484 AromaticContact ND1-CD1 3.6Å; H104-W484 AromaticContact ND1-NE1 3.43Å; H104-W484 PolarHBondContact ND1-NE1 3.46Å; H104-W484 AromaticContact NE2-CD1 3.39Å; H104-W484 AromaticContact NE2-CG 3.82Å; H104-W484 AromaticContact NE2-NE1 3.5Å; H104-W484 PolarHBondContact NE2-O 3.11Å; H104-N488 PolarHBondContact CE1-OD1 3.04Å; H104-N488 PolarHBondContact NE2-OD1 3.2Å
105	L	90.7	Very high	91.5	Very high	38 Å²	38	40.6 Å²	40.6	20%	0.199	22%	0.223	C	C	.	.	H	α-helix	trans	-65.1	-45.2	175.6	179.6	66.8	0	0	0	111.8	Y46 L50 S101 L102 A107 V108	Y46-L105 VanDerWaalsContact C-CD2 3.49Å; L50-L105 HydrophobicContact CD1-CB 4.49Å; L50-L105 HydrophobicContact CD1-CD2 3.97Å; S101-L105 PolarHBondContact O-N 2.74Å; S101-L105 VanDerWaalsContact O-N 3.12Å; L102-L105 PolarHBondContact O-N 2.88Å; L105-A107 VanDerWaalsContact C-N 3.3Å; L105-A107 PolarHBondContact O-N 3.28Å; L105-V108 WeakPolarHBondContact O-CB 3.4Å; L105-V108 PolarHBondContact O-N 2.73Å; L105-V108 VanDerWaalsContact O-N 3.15Å
106	M	88.5	Confident	91.2	Very high	95 Å²	95	41.3 Å²	41.3	47%	0.468	23%	0.227	S	C	.	.	H	α-helix	trans	-63.1	-35.4	177.6	-70.6	-163	-179.8	0	0	112.4	L102 F103 V108 A109	L102-M106 HydrophobicContact CD1-CE 3.96Å; L102-M106 HydrophobicContact CD2-CE 4.17Å; L102-M106 HydrophobicContact CG-CE 4.04Å; L102-M106 WeakPolarHBondContact O-CG 3.21Å; L102-M106 PolarHBondContact O-N 2.84Å; F103-M106 PolarHBondContact O-N 3.3Å; M106-V108 PolarHBondContact O-N 3.25Å; M106-V108 VanDerWaalsContact O-N 3.15Å; M106-A109 WeakPolarHBondContact O-CB 3.17Å; M106-A109 PolarHBondContact O-N 3.26Å; M106-A109 VanDerWaalsContact O-N 3.12Å
107	A	89.8	Confident	90.9	Very high	23 Å²	23	42.1 Å²	42.1	19%	0.19	23%	0.231	C	C	.	.	H	α-helix	trans	-61.5	-19.5	176.2	0	0	0	0	0	113.5	F103 H104 L105 P111	F103-A107 VanDerWaalsContact O-CB 3.29Å; F103-A107 WeakPolarHBondContact O-CB 3.5Å; F103-A107 PolarHBondContact O-N 2.98Å; H104-A107 PolarHBondContact O-N 2.84Å; L105-A107 VanDerWaalsContact C-N 3.3Å; L105-A107 PolarHBondContact O-N 3.28Å; A107-P111 WeakPolarHBondContact O-CD 3.34Å; A107-P111 WeakPolarHBondContact O-CG 3.13Å
108	V	89.8	Confident	90.6	Very high	70 Å²	70	39 Å²	39	42%	0.424	21%	0.214	S	C	.	.	H	α-helix	trans	-75.3	-27.3	176.2	-178	0	0	0	0	112.8	L105 M106 Q110 G112 L480	L105-V108 WeakPolarHBondContact O-CB 3.4Å; L105-V108 PolarHBondContact O-N 2.73Å; L105-V108 VanDerWaalsContact O-N 3.15Å; M106-V108 PolarHBondContact O-N 3.25Å; M106-V108 VanDerWaalsContact O-N 3.15Å; V108-Q110 PolarHBondContact O-N 3.23Å; V108-G112 PolarHBondContact O-N 3.44Å; V108-L480 HydrophobicContact CB-CD2 4.3Å; V108-L480 HydrophobicContact CG2-CD2 4.06Å
109	A	86.4	Confident	90.4	Very high	39 Å²	39	42.3 Å²	42.3	32%	0.322	23%	0.231	S	C	.	.	H	α-helix	trans	-60.9	-53.1	-168.9	0	0	0	0	0	113.5	I43 M106 F113	I43-A109 HydrophobicContact CD1-CB 3.89Å; M106-A109 WeakPolarHBondContact O-CB 3.17Å; M106-A109 PolarHBondContact O-N 3.26Å; M106-A109 VanDerWaalsContact O-N 3.12Å; A109-F113 PolarHBondContact O-N 3.45Å; A109-F113 VanDerWaalsContact O-N 3.08Å
110	Q	87.1	Confident	90.2	Very high	112 Å²	112	42.6 Å²	42.6	52%	0.523	23%	0.233	S	C	.	.	H	α-helix	trans	-70.5	-47.2	-176.7	175.1	-175.3	-2.6	0	0	112.6	V108 G112 F113 F114	V108-Q110 PolarHBondContact O-N 3.23Å; Q110-G112 VanDerWaalsContact C-N 3.34Å; Q110-G112 PolarHBondContact O-N 2.99Å; Q110-F113 WeakPolarHBondContact O-CB 3.47Å; Q110-F113 PolarHBondContact O-N 2.95Å; Q110-F114 HydrophobicContact CG-CD2 3.89Å; Q110-F114 HydrophobicContact CG-CE2 3.82Å; Q110-F114 VanDerWaalsContact O-CD2 3.31Å; Q110-F114 WeakPolarHBondContact O-CD2 2.98Å; Q110-F114 PolarHBondContact O-N 2.89Å
111	P	88.1	Confident	89.8	Confident	6 Å²	6	42.5 Å²	42.5	4%	0.039	23%	0.233	C	C	.	.	H	α-helix	trans	-63.6	-36.4	174.4	-24.3	37.3	0	0	0	113	A107 F113 F114 F115 C476 Q479 L480	A107-P111 WeakPolarHBondContact O-CD 3.34Å; A107-P111 WeakPolarHBondContact O-CG 3.13Å; P111-F113 VanDerWaalsContact C-N 3.35Å; P111-F113 PolarHBondContact O-N 3.23Å; P111-F114 PolarHBondContact O-N 3.38Å; P111-F115 VanDerWaalsContact O-CB 3.29Å; P111-F115 WeakPolarHBondContact O-CB 3.41Å; P111-F115 PolarHBondContact O-N 2.95Å; P111-C476 HydrophobicContact CB-CB 4.22Å; P111-Q479 HydrophobicContact CB-CB 4.46Å; P111-Q479 HydrophobicContact CG-CB 3.8Å; P111-L480 HydrophobicContact CB-CD1 4.33Å; P111-L480 HydrophobicContact CB-CD2 3.9Å; P111-L480 HydrophobicContact CB-CG 3.7Å; P111-L480 HydrophobicContact CG-CD2 3.84Å; P111-L480 HydrophobicContact CG-CG 3.86Å
112	G	88.5	Confident	89.6	Confident	35 Å²	35	41 Å²	41	36%	0.361	22%	0.221	S	C	.	.	H	α-helix	trans	-61.6	-41.6	174.8	0	0	0	0	0	112.5	V108 Q110 F115 L116	V108-G112 PolarHBondContact O-N 3.44Å; Q110-G112 VanDerWaalsContact C-N 3.34Å; Q110-G112 PolarHBondContact O-N 2.99Å; G112-F115 PolarHBondContact O-N 3.28Å; G112-L116 PolarHBondContact O-N 3.22Å; G112-L116 VanDerWaalsContact O-N 3.14Å
113	F	89.8	Confident	89.4	Confident	8 Å²	8	44.2 Å²	44.2	4%	0.035	24%	0.238	C	C	.	.	H	α-helix	trans	-59.7	-51.6	170.6	172	-93.9	0	0	0	112	L36 A109 Q110 P111 F115 L116 F117 F150 L153 F154 M157	L36-F113 HydrophobicContact CD2-CD2 3.9Å; A109-F113 PolarHBondContact O-N 3.45Å; A109-F113 VanDerWaalsContact O-N 3.08Å; Q110-F113 WeakPolarHBondContact O-CB 3.47Å; Q110-F113 PolarHBondContact O-N 2.95Å; P111-F113 VanDerWaalsContact C-N 3.35Å; P111-F113 PolarHBondContact O-N 3.23Å; F113-F115 VanDerWaalsContact C-N 3.31Å; F113-F115 PolarHBondContact O-N 3.18Å; F113-L116 PolarHBondContact O-N 3.46Å; F113-F117 HydrophobicContact CE1-CB 4.45Å; F113-F117 VanDerWaalsContact O-CB 3.31Å; F113-F117 WeakPolarHBondContact O-CB 3.46Å; F113-F117 PolarHBondContact O-N 2.78Å; F113-F150 HydrophobicContact CE1-CE2 4.29Å; F113-L153 VanDerWaalsContact CE2-C 3.48Å; F113-L153 HydrophobicContact CE2-CB 3.76Å; F113-L153 HydrophobicContact CZ-CB 4.11Å; F113-F154 HydrophobicContact CE1-CD2 4.5Å; F113-F154 HydrophobicContact CZ-CB 4.02Å; F113-F154 HydrophobicContact CZ-CD2 4.42Å; F113-M157 HydrophobicContact CB-SD 4.01Å; F113-M157 HydrophobicContact CD2-CB 4.29Å; F113-M157 HydrophobicContact CD2-SD 3.93Å; F113-M157 HydrophobicContact CE2-CB 4.44Å; F113-M157 HydrophobicContact CG-SD 3.89Å
114	F	88.5	Confident	89.2	Confident	47 Å²	47	41.9 Å²	41.9	21%	0.206	23%	0.228	C	C	.	.	H	α-helix	trans	-64.2	-34.1	-180	-83.8	-70.8	0	0	0	112.9	Q110 P111 F117 N118 F150 Y475	Q110-F114 HydrophobicContact CG-CD2 3.89Å; Q110-F114 HydrophobicContact CG-CE2 3.82Å; Q110-F114 VanDerWaalsContact O-CD2 3.31Å; Q110-F114 WeakPolarHBondContact O-CD2 2.98Å; Q110-F114 PolarHBondContact O-N 2.89Å; P111-F114 PolarHBondContact O-N 3.38Å; F114-F117 PolarHBondContact O-N 3.45Å; F114-N118 WeakPolarHBondContact O-CB 3.47Å; F114-N118 PolarHBondContact O-N 3.32Å; F114-N118 PolarHBondContact O-ND2 3.42Å; F114-F150 HydrophobicContact CE1-CE2 4.22Å; F114-Y475 HydrophobicContact CB-CE1 4.39Å; F114-Y475 HydrophobicContact CD2-CE1 4.2Å; F114-Y475 HydrophobicContact CG-CE1 4.13Å
115	F	89.8	Confident	88.9	Confident	95 Å²	95	40.5 Å²	40.5	42%	0.417	22%	0.222	S	C	.	.	H	α-helix	trans	-63.8	-49.7	176.5	-178.4	-106.9	0	0	0	111.2	P111 G112 F113 N118 I119 I473	P111-F115 VanDerWaalsContact O-CB 3.29Å; P111-F115 WeakPolarHBondContact O-CB 3.41Å; P111-F115 PolarHBondContact O-N 2.95Å; G112-F115 PolarHBondContact O-N 3.28Å; F113-F115 VanDerWaalsContact C-N 3.31Å; F113-F115 PolarHBondContact O-N 3.18Å; F115-N118 PolarHBondContact O-N 3.16Å; F115-I119 HydrophobicContact CD1-CD1 3.98Å; F115-I119 HydrophobicContact CE1-CD1 3.54Å; F115-I119 HydrophobicContact CE2-CD1 4.48Å; F115-I119 HydrophobicContact CZ-CD1 3.83Å; F115-I119 WeakPolarHBondContact O-CG1 3.43Å; F115-I119 PolarHBondContact O-N 3.27Å; F115-I473 HydrophobicContact CE2-CG1 4.05Å
116	L	89.4	Confident	88.8	Confident	22 Å²	22	44.8 Å²	44.8	12%	0.115	24%	0.236	C	C	.	.	H	α-helix	trans	-64	-43.3	175.2	-176.7	67.6	0	0	0	111.8	A32 I35 L36 G112 F113 N118 I119 V120	A32-L116 HydrophobicContact CB-CD2 4.32Å; I35-L116 HydrophobicContact CB-CD2 4.15Å; I35-L116 HydrophobicContact CD1-CD1 4.37Å; I35-L116 HydrophobicContact CG2-CD1 4.15Å; I35-L116 HydrophobicContact CG2-CD2 3.95Å; L36-L116 HydrophobicContact CD1-CD2 4.46Å; L36-L116 HydrophobicContact CD2-CD2 3.63Å; L36-L116 HydrophobicContact CG-CD2 3.57Å; G112-L116 PolarHBondContact O-N 3.22Å; G112-L116 VanDerWaalsContact O-N 3.14Å; F113-L116 PolarHBondContact O-N 3.46Å; L116-N118 VanDerWaalsContact C-N 3.3Å; L116-N118 PolarHBondContact O-N 2.94Å; L116-I119 PolarHBondContact O-N 3.3Å; L116-V120 HydrophobicContact CD1-CG2 4.3Å; L116-V120 HydrophobicContact CG-CG2 4.29Å; L116-V120 WeakPolarHBondContact O-CB 3.41Å; L116-V120 VanDerWaalsContact O-CG2 3.23Å; L116-V120 WeakPolarHBondContact O-CG2 3.31Å; L116-V120 PolarHBondContact O-N 3.04Å
117	F	90.7	Very high	88.8	Confident	18 Å²	18	42.9 Å²	42.9	8%	0.079	23%	0.227	C	C	.	.	H	α-helix	trans	-56	-44.7	175.2	173.5	-101.5	0	0	0	111.4	F113 F114 V120 M121 I146 I149 F150 L153	F113-F117 HydrophobicContact CE1-CB 4.45Å; F113-F117 VanDerWaalsContact O-CB 3.31Å; F113-F117 WeakPolarHBondContact O-CB 3.46Å; F113-F117 PolarHBondContact O-N 2.78Å; F114-F117 PolarHBondContact O-N 3.45Å; F117-V120 PolarHBondContact O-N 2.89Å; F117-M121 HydrophobicContact CE1-SD 3.79Å; F117-M121 HydrophobicContact CZ-CB 4.47Å; F117-M121 HydrophobicContact CZ-SD 3.98Å; F117-M121 WeakPolarHBondContact O-CB 3.37Å; F117-M121 PolarHBondContact O-N 3Å; F117-I146 HydrophobicContact CZ-CG2 4.04Å; F117-I149 HydrophobicContact CD2-CG2 4.38Å; F117-I149 HydrophobicContact CE2-CG2 4.09Å; F117-F150 HydrophobicContact CD2-CD2 4.37Å; F117-F150 HydrophobicContact CE1-CD2 4.27Å; F117-F150 VanDerWaalsContact CE2-CA 3.45Å; F117-F150 HydrophobicContact CE2-CB 3.63Å; F117-F150 HydrophobicContact CE2-CD2 4.04Å; F117-F150 HydrophobicContact CE2-CG 4.35Å; F117-F150 HydrophobicContact CZ-CB 3.84Å; F117-F150 AromaticContact CZ-CD2 3.98Å; F117-F150 HydrophobicContact CZ-CD2 3.98Å; F117-F150 HydrophobicContact CZ-CG 4.37Å; F117-L153 HydrophobicContact CD2-CD1 4.14Å
118	N	89	Confident	88.6	Confident	25 Å²	25	41.8 Å²	41.8	13%	0.134	22%	0.218	C	C	.	.	H	α-helix	trans	-64.3	-41.4	176.7	-80.6	-61.1	0	0	0	112.5	F114 F115 L116 M121 V122	F114-N118 WeakPolarHBondContact O-CB 3.47Å; F114-N118 PolarHBondContact O-N 3.32Å; F114-N118 PolarHBondContact O-ND2 3.42Å; F115-N118 PolarHBondContact O-N 3.16Å; L116-N118 VanDerWaalsContact C-N 3.3Å; L116-N118 PolarHBondContact O-N 2.94Å; N118-M121 PolarHBondContact O-N 3.14Å; N118-M121 WeakPolarHBondContact OD1-CE 3.49Å; N118-V122 WeakPolarHBondContact O-CB 3.36Å; N118-V122 WeakPolarHBondContact O-CG2 3.46Å; N118-V122 PolarHBondContact O-N 2.95Å
119	I	90.6	Very high	88.3	Confident	72 Å²	72	39 Å²	39	37%	0.369	20%	0.201	S	C	.	.	H	α-helix	trans	-60.1	-49.2	174.8	-68.9	170.1	0	0	0	110.6	F115 L116 V122 L123	F115-I119 HydrophobicContact CD1-CD1 3.98Å; F115-I119 HydrophobicContact CE1-CD1 3.54Å; F115-I119 HydrophobicContact CE2-CD1 4.48Å; F115-I119 HydrophobicContact CZ-CD1 3.83Å; F115-I119 WeakPolarHBondContact O-CG1 3.43Å; F115-I119 PolarHBondContact O-N 3.27Å; L116-I119 PolarHBondContact O-N 3.3Å; I119-V122 PolarHBondContact O-N 2.95Å; I119-L123 HydrophobicContact CG2-CD1 4.24Å; I119-L123 WeakPolarHBondContact O-CG 3.23Å; I119-L123 PolarHBondContact O-N 2.73Å
120	V	90.4	Very high	88.2	Confident	7 Å²	7	40.6 Å²	40.6	4%	0.042	21%	0.207	C	C	.	.	H	α-helix	trans	-61.5	-48.4	179.6	173.3	0	0	0	0	109.8	A32 L116 F117 V122 L123 I124 I149 L153	A32-V120 HydrophobicContact CB-CG2 3.64Å; L116-V120 HydrophobicContact CD1-CG2 4.3Å; L116-V120 HydrophobicContact CG-CG2 4.29Å; L116-V120 WeakPolarHBondContact O-CB 3.41Å; L116-V120 VanDerWaalsContact O-CG2 3.23Å; L116-V120 WeakPolarHBondContact O-CG2 3.31Å; L116-V120 PolarHBondContact O-N 3.04Å; F117-V120 PolarHBondContact O-N 2.89Å; V120-V122 VanDerWaalsContact C-N 3.33Å; V120-V122 PolarHBondContact O-N 3.47Å; V120-L123 PolarHBondContact O-N 3.11Å; V120-I124 HydrophobicContact CB-CD1 4.45Å; V120-I124 HydrophobicContact CG1-CD1 3.32Å; V120-I124 WeakPolarHBondContact O-CB 3.47Å; V120-I124 WeakPolarHBondContact O-CD1 3.19Å; V120-I124 PolarHBondContact O-N 2.85Å; V120-I149 HydrophobicContact CG1-CG2 4.19Å; V120-L153 HydrophobicContact CG1-CD1 4.18Å
121	M	87.5	Confident	88.1	Confident	27 Å²	27	37.2 Å²	37.2	13%	0.133	19%	0.191	C	C	.	.	H	α-helix	trans	-57	-42.1	175.6	-174.1	178.6	76.4	0	0	112.2	F117 N118 I124 I125 I146 I468	F117-M121 HydrophobicContact CE1-SD 3.79Å; F117-M121 HydrophobicContact CZ-CB 4.47Å; F117-M121 HydrophobicContact CZ-SD 3.98Å; F117-M121 WeakPolarHBondContact O-CB 3.37Å; F117-M121 PolarHBondContact O-N 3Å; N118-M121 PolarHBondContact O-N 3.14Å; N118-M121 WeakPolarHBondContact OD1-CE 3.49Å; M121-I124 PolarHBondContact O-N 3.39Å; M121-I125 HydrophobicContact CG-CD1 3.67Å; M121-I125 HydrophobicContact CG-CG1 4.28Å; M121-I125 VanDerWaalsContact O-CB 3.3Å; M121-I125 WeakPolarHBondContact O-CB 3.37Å; M121-I125 WeakPolarHBondContact O-CG1 3.26Å; M121-I125 PolarHBondContact O-N 3.08Å; M121-I125 HydrophobicContact SD-CD1 4.42Å; M121-I146 HydrophobicContact CG-CG1 4.42Å; M121-I146 HydrophobicContact CG-CG2 3.9Å; M121-I146 HydrophobicContact SD-CG2 3.75Å; M121-I468 HydrophobicContact CE-CG2 3.53Å
122	V	88.3	Confident	87.7	Confident	25 Å²	25	38 Å²	38	15%	0.152	19%	0.194	C	C	.	.	H	α-helix	trans	-64.6	-44.1	177.4	165.9	0	0	0	0	111.7	N118 I119 V120 W126 L465 I468 V469	N118-V122 WeakPolarHBondContact O-CB 3.36Å; N118-V122 WeakPolarHBondContact O-CG2 3.46Å; N118-V122 PolarHBondContact O-N 2.95Å; I119-V122 PolarHBondContact O-N 2.95Å; V120-V122 VanDerWaalsContact C-N 3.33Å; V120-V122 PolarHBondContact O-N 3.47Å; V122-W126 VanDerWaalsContact O-CB 3.31Å; V122-W126 WeakPolarHBondContact O-CB 3.41Å; V122-W126 PolarHBondContact O-N 3.02Å; V122-L465 HydrophobicContact CB-CD2 4.16Å; V122-L465 HydrophobicContact CG1-CB 4.31Å; V122-L465 HydrophobicContact CG1-CD1 4.36Å; V122-L465 HydrophobicContact CG1-CD2 4.06Å; V122-L465 HydrophobicContact CG1-CG 4.49Å; V122-L465 HydrophobicContact CG2-CD2 4.06Å; V122-I468 HydrophobicContact CG2-CG2 4.19Å; V122-V469 HydrophobicContact CB-CG2 4.33Å; V122-V469 HydrophobicContact CG1-CG2 4.06Å; V122-V469 HydrophobicContact CG2-CG2 3.54Å
123	L	89.4	Confident	87.1	Confident	73 Å²	73	40.9 Å²	40.9	38%	0.382	21%	0.21	S	C	.	.	H	α-helix	trans	-63.2	-40.8	175.5	-69.4	171	0	0	0	112.1	Y28 I119 V120 W126 N127	Y28-L123 HydrophobicContact CD1-CB 4.16Å; Y28-L123 HydrophobicContact CD1-CD1 4.13Å; Y28-L123 HydrophobicContact CE1-CB 4.34Å; Y28-L123 HydrophobicContact CE1-CD1 4.47Å; I119-L123 HydrophobicContact CG2-CD1 4.24Å; I119-L123 WeakPolarHBondContact O-CG 3.23Å; I119-L123 PolarHBondContact O-N 2.73Å; V120-L123 PolarHBondContact O-N 3.11Å; L123-W126 PolarHBondContact O-N 3.26Å; L123-N127 WeakPolarHBondContact O-CB 3.29Å; L123-N127 PolarHBondContact O-N 3.31Å; L123-N127 PolarHBondContact O-ND2 2.96Å
124	I	87.4	Confident	86.6	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-73.5	-39.2	-179.6	-82.2	140.1	0	0	0	112.4	Y28 V120 M121 W126 N127 G128 L142 F145 I149	Y28-I124 HydrophobicContact CD2-CD1 4.5Å; Y28-I124 HydrophobicContact CD2-CG1 3.81Å; Y28-I124 HydrophobicContact CG-CD1 4.41Å; Y28-I124 HydrophobicContact CG-CG1 4.15Å; V120-I124 HydrophobicContact CB-CD1 4.45Å; V120-I124 HydrophobicContact CG1-CD1 3.32Å; V120-I124 WeakPolarHBondContact O-CB 3.47Å; V120-I124 WeakPolarHBondContact O-CD1 3.19Å; V120-I124 PolarHBondContact O-N 2.85Å; M121-I124 PolarHBondContact O-N 3.39Å; I124-W126 VanDerWaalsContact C-N 3.33Å; I124-N127 PolarHBondContact O-N 3.28Å; I124-G128 WeakPolarHBondContact O-CA 3.47Å; I124-G128 PolarHBondContact O-N 3.27Å; I124-L142 HydrophobicContact CG2-CD1 3.54Å; I124-F145 HydrophobicContact CG1-CE1 4.44Å; I124-F145 HydrophobicContact CG2-CD1 3.94Å; I124-F145 HydrophobicContact CG2-CE1 3.91Å; I124-I149 HydrophobicContact CD1-CD1 3.23Å; I124-I149 HydrophobicContact CG1-CD1 4.05Å; I124-I149 HydrophobicContact CG2-CD1 4.22Å
125	I	88	Confident	85.9	Confident	13 Å²	13	47.2 Å²	47.2	7%	0.067	26%	0.261	C	S	.	.	H	α-helix	trans	-64	-43.4	170	-68.9	170.4	0	0	0	108.4	M121 N127 T129 I146 V461 L465	M121-I125 HydrophobicContact CG-CD1 3.67Å; M121-I125 HydrophobicContact CG-CG1 4.28Å; M121-I125 VanDerWaalsContact O-CB 3.3Å; M121-I125 WeakPolarHBondContact O-CB 3.37Å; M121-I125 WeakPolarHBondContact O-CG1 3.26Å; M121-I125 PolarHBondContact O-N 3.08Å; M121-I125 HydrophobicContact SD-CD1 4.42Å; I125-N127 PolarHBondContact O-N 3.48Å; I125-T129 HydrophobicContact CG2-CG2 4.2Å; I125-T129 WeakPolarHBondContact O-CA 3.41Å; I125-T129 WeakPolarHBondContact O-CB 3.35Å; I125-T129 PolarHBondContact O-N 3.39Å; I125-I146 HydrophobicContact CD1-CD1 3.86Å; I125-I146 HydrophobicContact CG1-CD1 3.68Å; I125-I146 HydrophobicContact CG1-CG1 4.35Å; I125-V461 HydrophobicContact CG2-CB 4.15Å; I125-V461 HydrophobicContact CG2-CG1 3.75Å; I125-V461 HydrophobicContact CG2-CG2 3.39Å; I125-L465 HydrophobicContact CB-CD2 3.76Å; I125-L465 HydrophobicContact CD1-CD2 4.26Å; I125-L465 HydrophobicContact CG2-CD1 4.37Å; I125-L465 HydrophobicContact CG2-CD2 3.51Å; I125-L465 HydrophobicContact CG2-CG 4.15Å
126	W	88.2	Confident	85.2	Confident	129 Å²	129	46.4 Å²	46.4	49%	0.489	27%	0.272	S	S	.	.	H	α-helix	trans	-65.5	-30.8	176.8	-178.5	-102.2	0	0	0	115.6	V122 L123 I124 F458 F462 L465	V122-W126 VanDerWaalsContact O-CB 3.31Å; V122-W126 WeakPolarHBondContact O-CB 3.41Å; V122-W126 PolarHBondContact O-N 3.02Å; L123-W126 PolarHBondContact O-N 3.26Å; I124-W126 VanDerWaalsContact C-N 3.33Å; W126-F458 VanDerWaalsContact O-CZ 3.31Å; W126-F458 WeakPolarHBondContact O-CZ 3.36Å; W126-F462 HydrophobicContact CE3-CB 4.43Å; W126-F462 AromaticContact CE3-CD2 3.77Å; W126-F462 HydrophobicContact CE3-CD2 3.77Å; W126-F462 HydrophobicContact CH2-CD2 4.08Å; W126-F462 HydrophobicContact CZ3-CB 3.8Å; W126-F462 AromaticContact CZ3-CD2 3.51Å; W126-F462 HydrophobicContact CZ3-CD2 3.51Å; W126-F462 HydrophobicContact CZ3-CE2 4.44Å; W126-F462 AromaticContact CZ3-CG 3.96Å; W126-F462 HydrophobicContact CZ3-CG 3.96Å; W126-L465 HydrophobicContact CB-CD1 3.8Å; W126-L465 HydrophobicContact CE3-CD1 4.04Å
127	N	87.4	Confident	84.7	Confident	54 Å²	54	45.8 Å²	45.8	29%	0.289	27%	0.269	S	S	.	.	H	α-helix	trans	-92.6	-30	178	-78.6	-87.7	0	0	0	112.9	L25 Y28 L123 I124 I125 Q131	L25-N127 HydrophobicContact CD2-CB 3.62Å; Y28-N127 HydrophobicContact CE2-CB 4.01Å; Y28-N127 PolarHBondContact OH-ND2 3.46Å; Y28-N127 VanDerWaalsContact OH-ND2 3.09Å; Y28-N127 PolarHBondContact OH-OD1 2.96Å; L123-N127 WeakPolarHBondContact O-CB 3.29Å; L123-N127 PolarHBondContact O-N 3.31Å; L123-N127 PolarHBondContact O-ND2 2.96Å; I124-N127 PolarHBondContact O-N 3.28Å; I125-N127 PolarHBondContact O-N 3.48Å; N127-Q131 WeakPolarHBondContact O-CB 3.37Å; N127-Q131 WeakPolarHBondContact O-CG 3.1Å
128	G	86.1	Confident	84.2	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-101.8	-34.9	-170.4	0	0	0	0	0	113.5	I124 I132 L137 L142 F458	I124-G128 WeakPolarHBondContact O-CA 3.47Å; I124-G128 PolarHBondContact O-N 3.27Å; G128-I132 WeakPolarHBondContact O-CG1 2.96Å; G128-L137 WeakPolarHBondContact O-CD2 3.34Å; G128-L142 VanDerWaalsContact O-CD2 3.24Å; G128-L142 WeakPolarHBondContact O-CD2 3.26Å; G128-F458 WeakPolarHBondContact O-CD2 3.44Å; G128-F458 WeakPolarHBondContact O-CE2 3.3Å
129	T	83.7	Confident	83.8	Confident	11 Å²	11	51.3 Å²	51.3	7%	0.067	31%	0.311	C	S	.	.	H	α-helix	trans	-98.1	0	175.4	-38.9	0	0	0	0	119.9	I125 L142 I456 N457 F458 V461	I125-T129 HydrophobicContact CG2-CG2 4.2Å; I125-T129 WeakPolarHBondContact O-CA 3.41Å; I125-T129 WeakPolarHBondContact O-CB 3.35Å; I125-T129 PolarHBondContact O-N 3.39Å; T129-L142 VanDerWaalsContact OG1-CD2 3.31Å; T129-L142 WeakPolarHBondContact OG1-CD2 3.47Å; T129-I456 HydrophobicContact CG2-CD1 3.87Å; T129-I456 VanDerWaalsContact OG1-CD1 3.31Å; T129-I456 WeakPolarHBondContact OG1-CD1 3.39Å; T129-N457 WeakPolarHBondContact CG2-O 3.46Å; T129-F458 VanDerWaalsContact CA-CZ 3.43Å; T129-F458 HydrophobicContact CG2-CB 4.35Å; T129-F458 HydrophobicContact CG2-CG 4.25Å; T129-F458 WeakPolarHBondContact O-CD1 3.24Å; T129-F458 WeakPolarHBondContact O-CD2 3.44Å; T129-F458 WeakPolarHBondContact O-CE1 3.27Å; T129-F458 WeakPolarHBondContact O-CE2 3.32Å; T129-F458 WeakPolarHBondContact O-CG 3.46Å; T129-F458 WeakPolarHBondContact O-CZ 3.31Å; T129-V461 WeakPolarHBondContact O-CG1 3.32Å
130	V	85	Confident	83.2	Confident	73 Å²	73	48.9 Å²	48.9	44%	0.442	30%	0.303	S	S	.	.	H	α-helix		0	-60.5	0	-176.6	0	0	0	0	130.2	I132 S133 D134 F458	V130-I132 CarbonylContact O-C 3.42Å; V130-I132 PolarHBondContact O-N 2.95Å; V130-S133 CarbonylContact O-C 3.51Å; V130-S133 WeakPolarHBondContact O-CA 3.24Å; V130-S133 WeakPolarHBondContact O-CB 3.38Å; V130-S133 PolarHBondContact O-N 3.42Å; V130-D134 PolarHBondContact O-N 2.97Å; V130-F458 VanDerWaalsContact CA-CE1 3.49Å; V130-F458 HydrophobicContact CB-CD2 4.33Å; V130-F458 HydrophobicContact CB-CE1 3.68Å; V130-F458 HydrophobicContact CB-CE2 3.44Å; V130-F458 VanDerWaalsContact CB-CE2 3.44Å; V130-F458 HydrophobicContact CB-CZ 3.09Å; V130-F458 HydrophobicContact CG1-CZ 4.5Å; V130-F458 HydrophobicContact CG2-CD1 4.33Å; V130-F458 HydrophobicContact CG2-CE1 3.48Å; V130-F458 VanDerWaalsContact CG2-CE1 3.48Å; V130-F458 HydrophobicContact CG2-CE2 4.5Å; V130-F458 HydrophobicContact CG2-CZ 3.63Å
131	Q	83.5	Confident	82.8	Confident	41 Å²	41	51 Å²	51	19%	0.192	32%	0.316	C	S	.	.	H	α-helix	trans	-44	-28.1	169.2	-105.2	-178.7	46.5	0	0	112.6	S22 N127 D134 G135 A136 L137 F458	S22-Q131 PolarHBondContact OG-OE1 2.87Å; N127-Q131 WeakPolarHBondContact O-CB 3.37Å; N127-Q131 WeakPolarHBondContact O-CG 3.1Å; Q131-D134 WeakPolarHBondContact O-CB 3.45Å; Q131-D134 PolarHBondContact O-N 3.29Å; Q131-G135 PolarHBondContact O-N 2.9Å; Q131-A136 PolarHBondContact O-N 3.34Å; Q131-L137 HydrophobicContact CB-CB 4.16Å; Q131-L137 HydrophobicContact CB-CD2 4.29Å; Q131-L137 PolarHBondContact O-N 2.8Å; Q131-F458 VanDerWaalsContact N-CD2 3.35Å
132	I	80.9	Confident	82.7	Confident	22 Å²	22	49.7 Å²	49.7	11%	0.113	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-32.9	170.9	-55.1	165.4	0	0	0	112	G128 V130 D134 G135 L137 I456 F458	G128-I132 WeakPolarHBondContact O-CG1 2.96Å; V130-I132 CarbonylContact O-C 3.42Å; V130-I132 PolarHBondContact O-N 2.95Å; I132-D134 VanDerWaalsContact C-N 3.26Å; I132-G135 WeakPolarHBondContact O-CA 3.31Å; I132-G135 PolarHBondContact O-N 3.11Å; I132-L137 WeakPolarHBondContact CA-O 3.03Å; I132-L137 WeakPolarHBondContact CB-O 3.27Å; I132-L137 HydrophobicContact CG1-CB 3.68Å; I132-L137 HydrophobicContact CG1-CD2 4.43Å; I132-L137 HydrophobicContact CG1-CG 4.17Å; I132-L137 WeakPolarHBondContact CG1-O 3.04Å; I132-L137 WeakPolarHBondContact CG2-O 2.96Å; I132-I456 HydrophobicContact CD1-CB 4.47Å; I132-I456 HydrophobicContact CD1-CD1 3.8Å; I132-I456 HydrophobicContact CD1-CG1 3.86Å; I132-I456 HydrophobicContact CD1-CG2 3.69Å; I132-F458 HydrophobicContact CB-CB 3.62Å; I132-F458 HydrophobicContact CB-CD2 3.58Å; I132-F458 HydrophobicContact CB-CG 4.03Å; I132-F458 HydrophobicContact CD1-CB 3.65Å; I132-F458 HydrophobicContact CD1-CD2 3.77Å; I132-F458 HydrophobicContact CD1-CG 4.2Å; I132-F458 HydrophobicContact CG1-CB 4.09Å; I132-F458 HydrophobicContact CG1-CD2 3.64Å; I132-F458 HydrophobicContact CG1-CG 4.43Å; I132-F458 HydrophobicContact CG2-CB 3.9Å
133	S	76.2	Confident	82.4	Confident	97 Å²	97	50 Å²	50	68%	0.678	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-35.3	164	-172.2	0	0	0	0	111.5	V130 G135	V130-S133 CarbonylContact O-C 3.51Å; V130-S133 WeakPolarHBondContact O-CA 3.24Å; V130-S133 WeakPolarHBondContact O-CB 3.38Å; V130-S133 PolarHBondContact O-N 3.42Å; S133-G135 PolarHBondContact O-N 2.89Å
134	D	78	Confident	82	Confident	123 Å²	123	46.6 Å²	46.6	66%	0.658	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-1.2	169.5	-64.9	-20.3	0	0	0	112.6	V130 Q131 I132 A136	V130-D134 PolarHBondContact O-N 2.97Å; Q131-D134 WeakPolarHBondContact O-CB 3.45Å; Q131-D134 PolarHBondContact O-N 3.29Å; I132-D134 VanDerWaalsContact C-N 3.26Å; D134-A136 PolarHBondContact O-N 3.48Å; D134-A136 VanDerWaalsContact O-N 3.1Å
135	G	74	Confident	81.9	Confident	64 Å²	64	46.6 Å²	46.6	66%	0.66	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	-0.6	-176.4	0	0	0	0	0	114.8	Q131 I132 S133	Q131-G135 PolarHBondContact O-N 2.9Å; I132-G135 WeakPolarHBondContact O-CA 3.31Å; I132-G135 PolarHBondContact O-N 3.11Å; S133-G135 PolarHBondContact O-N 2.89Å
136	A	75.5	Confident	81.8	Confident	79 Å²	79	47.3 Å²	47.3	65%	0.653	30%	0.297	S	S	*	.			trans	-79.4	-15.2	-174.4	0	0	0	0	0	113.8	Q131 D134	Q131-A136 PolarHBondContact O-N 3.34Å; D134-A136 PolarHBondContact O-N 3.48Å; D134-A136 VanDerWaalsContact O-N 3.1Å
137	L	78.4	Confident	81.6	Confident	9 Å²	9	43.2 Å²	43.2	5%	0.047	28%	0.283	C	S	.	.	S	Bend	trans	-129	122.2	-179.3	-161.6	58.8	0	0	0	109	T21 L25 G128 Q131 I132 L142	T21-L137 HydrophobicContact CG2-CD1 4.44Å; L25-L137 HydrophobicContact CD1-CD2 3.76Å; G128-L137 WeakPolarHBondContact O-CD2 3.34Å; Q131-L137 HydrophobicContact CB-CB 4.16Å; Q131-L137 HydrophobicContact CB-CD2 4.29Å; Q131-L137 PolarHBondContact O-N 2.8Å; I132-L137 WeakPolarHBondContact CA-O 3.03Å; I132-L137 WeakPolarHBondContact CB-O 3.27Å; I132-L137 HydrophobicContact CG1-CB 3.68Å; I132-L137 HydrophobicContact CG1-CD2 4.43Å; I132-L137 HydrophobicContact CG1-CG 4.17Å; I132-L137 WeakPolarHBondContact CG1-O 3.04Å; I132-L137 WeakPolarHBondContact CG2-O 2.96Å; L137-L142 HydrophobicContact CD2-CB 3.77Å; L137-L142 HydrophobicContact CD2-CD2 3.44Å; L137-L142 VanDerWaalsContact CD2-CD2 3.44Å; L137-L142 HydrophobicContact CD2-CG 4.17Å; L137-L142 HydrophobicContact CG-CB 4.25Å
138	A	81.1	Confident	81.7	Confident	62 Å²	62	41.1 Å²	41.1	51%	0.512	27%	0.271	S	S	.	.			trans	-83.4	145.7	-164.2	0	0	0	0	0	111.2	G140 T141 I456	A138-G140 PolarHBondContact O-N 3.49Å; A138-T141 PolarHBondContact O-N 3.29Å; A138-I456 WeakPolarHBondContact O-CG2 3.43Å
139	V	80.6	Confident	81.7	Confident	97 Å²	97	41.2 Å²	41.2	59%	0.588	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	95.8	175.3	-175.7	0	0	0	0	109.1	I456 N457	V139-I456 CarbonylContact C-O 3.52Å; V139-I456 VanDerWaalsContact C-O 3.29Å; V139-I456 WeakPolarHBondContact CA-O 3.26Å; V139-I456 WeakPolarHBondContact CG1-O 3.35Å; V139-N457 HydrophobicContact CG1-CB 4.03Å
140	G	78.6	Confident	81.9	Confident	20 Å²	20	43 Å²	43	21%	0.206	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	136	-19	-166.6	0	0	0	0	0	118.3	A138 S455 I456	A138-G140 PolarHBondContact O-N 3.49Å; G140-S455 CarbonylContact C-O 3.52Å; G140-S455 VanDerWaalsContact C-O 3.29Å; G140-S455 CarbonylContact O-C 3.43Å; G140-S455 WeakPolarHBondContact O-CA 3.47Å; G140-S455 WeakPolarHBondContact O-CB 3.38Å; G140-S455 PolarHBondContact O-N 3.41Å; G140-S455 VanDerWaalsContact O-O 3.06Å; G140-I456 VanDerWaalsContact N-CG2 3.35Å; G140-I456 PolarHBondContact N-O 3.1Å; G140-I456 PolarHBondContact O-N 3.44Å
141	T	81.5	Confident	82.1	Confident	51 Å²	51	40.2 Å²	40.2	31%	0.313	26%	0.26	S	S	.	.	S	Bend	trans	-132.4	50.8	-173.4	-30.9	0	0	0	0	116.4	T21 A138 S455	T21-T141 HydrophobicContact CG2-CG2 3.64Å; T21-T141 WeakPolarHBondContact CG2-O 3.44Å; A138-T141 PolarHBondContact O-N 3.29Å; T141-S455 CarbonylContact C-O 3.58Å; T141-S455 WeakPolarHBondContact CA-O 3.37Å; T141-S455 PolarHBondContact N-O 2.85Å
142	L	84.9	Confident	82.3	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	-151.5	-24.9	159.9	163.5	74	0	0	0	119	L25 I124 G128 T129 L137 A144 F145 I146 S455 I456	L25-L142 HydrophobicContact CD1-CD1 3.85Å; L25-L142 HydrophobicContact CD1-CD2 3.98Å; I124-L142 HydrophobicContact CG2-CD1 3.54Å; G128-L142 VanDerWaalsContact O-CD2 3.24Å; G128-L142 WeakPolarHBondContact O-CD2 3.26Å; T129-L142 VanDerWaalsContact OG1-CD2 3.31Å; T129-L142 WeakPolarHBondContact OG1-CD2 3.47Å; L137-L142 HydrophobicContact CD2-CB 3.77Å; L137-L142 HydrophobicContact CD2-CD2 3.44Å; L137-L142 VanDerWaalsContact CD2-CD2 3.44Å; L137-L142 HydrophobicContact CD2-CG 4.17Å; L137-L142 HydrophobicContact CG-CB 4.25Å; L142-A144 PolarHBondContact O-N 2.92Å; L142-F145 VanDerWaalsContact CA-CB 3.5Å; L142-F145 HydrophobicContact CB-CB 4.06Å; L142-F145 HydrophobicContact CD1-CB 3.57Å; L142-F145 HydrophobicContact CD1-CD1 3.24Å; L142-F145 HydrophobicContact CD1-CE1 4.05Å; L142-F145 HydrophobicContact CD1-CG 3.67Å; L142-F145 HydrophobicContact CG-CB 4.34Å; L142-F145 CarbonylContact O-C 3.54Å; L142-F145 WeakPolarHBondContact O-CB 3.4Å; L142-F145 PolarHBondContact O-N 2.97Å; L142-I146 WeakPolarHBondContact O-CG1 3.43Å; L142-I146 PolarHBondContact O-N 3.37Å; L142-S455 CarbonylContact C-O 2.73Å; L142-S455 VanDerWaalsContact C-O 3.24Å; L142-S455 WeakPolarHBondContact CA-O 3.48Å; L142-S455 PolarHBondContact N-O 3.3Å; L142-I456 HydrophobicContact CB-CB 4.15Å; L142-I456 HydrophobicContact CB-CD1 3.4Å; L142-I456 VanDerWaalsContact CB-CD1 3.4Å; L142-I456 HydrophobicContact CB-CG1 4.25Å; L142-I456 HydrophobicContact CB-CG2 4.29Å; L142-I456 HydrophobicContact CD2-CD1 3.59Å; L142-I456 HydrophobicContact CG-CD1 3.35Å
143	I	83	Confident	82.6	Confident	31 Å²	31	37.2 Å²	37.2	16%	0.159	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.1	-35.2	166.1	-96.7	165.9	0	0	0	108.5	I146 S455 I456 Q682	I143-I146 VanDerWaalsContact O-CB 3.3Å; I143-I146 WeakPolarHBondContact O-CB 3.02Å; I143-S455 WeakPolarHBondContact CA-O 3.31Å; I143-S455 WeakPolarHBondContact CB-O 3.08Å; I143-S455 PolarHBondContact N-O 2.79Å; I143-I456 HydrophobicContact CB-CB 4.13Å; I143-I456 HydrophobicContact CB-CG1 4.35Å; I143-I456 HydrophobicContact CG1-CB 4.22Å; I143-I456 HydrophobicContact CG1-CG1 4.02Å; I143-I456 VanDerWaalsContact N-CD1 3.32Å; I143-Q682 HydrophobicContact CD1-CB 4.47Å; I143-Q682 HydrophobicContact CD1-CG 4.48Å; I143-Q682 HydrophobicContact CG2-CG 3.8Å
144	A	81.1	Confident	83.2	Confident	2 Å²	2	34.6 Å²	34.6	2%	0.017	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-128.1	19.3	-179.1	0	0	0	0	0	112.8	L142 I146 E147 Y148 E454 S455	L142-A144 PolarHBondContact O-N 2.92Å; A144-I146 VanDerWaalsContact C-N 3.29Å; A144-E147 HydrophobicContact CB-CB 3.51Å; A144-E147 HydrophobicContact CB-CG 3.04Å; A144-E147 CarbonylContact O-C 3.47Å; A144-E147 WeakPolarHBondContact O-CB 3.49Å; A144-E147 PolarHBondContact O-N 2.91Å; A144-Y148 VanDerWaalsContact O-CD1 3.25Å; A144-Y148 WeakPolarHBondContact O-CD1 3.42Å; A144-Y148 VanDerWaalsContact O-CG 3.32Å; A144-Y148 PolarHBondContact O-N 3.32Å; A144-E454 CarbonylContact C-O 3.29Å; A144-E454 VanDerWaalsContact CA-C 3.4Å; A144-E454 WeakPolarHBondContact CA-O 3.34Å; A144-E454 HydrophobicContact CB-CB 4.44Å; A144-E454 VanDerWaalsContact CB-N 3.3Å; A144-E454 WeakPolarHBondContact CB-O 3.32Å; A144-E454 PolarHBondContact N-O 2.98Å; A144-E454 PolarHBondContact O-N 3.06Å; A144-S455 PolarHBondContact N-O 3.47Å; A144-S455 VanDerWaalsContact N-O 3.14Å
145	F	84.7	Confident	83.6	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-68.7	-31.8	136.6	179.9	-83.6	0	0	0	109.9	I18 T21 L25 I124 L142 E147 Y148 I149 E454	I18-F145 HydrophobicContact CB-CE2 4.12Å; I18-F145 HydrophobicContact CG1-CD2 4.5Å; I18-F145 HydrophobicContact CG1-CE2 4.19Å; I18-F145 HydrophobicContact CG2-CE2 3.83Å; I18-F145 HydrophobicContact CG2-CZ 3.89Å; T21-F145 HydrophobicContact CG2-CD2 3.95Å; L25-F145 HydrophobicContact CB-CE1 3.51Å; L25-F145 HydrophobicContact CB-CE2 4.19Å; L25-F145 HydrophobicContact CB-CZ 3.27Å; L25-F145 HydrophobicContact CD1-CD1 4.46Å; L25-F145 HydrophobicContact CD1-CE1 4.04Å; L25-F145 HydrophobicContact CD1-CZ 4.22Å; L25-F145 HydrophobicContact CG-CE1 4.41Å; L25-F145 HydrophobicContact CG-CZ 4.39Å; I124-F145 HydrophobicContact CG1-CE1 4.44Å; I124-F145 HydrophobicContact CG2-CD1 3.94Å; I124-F145 HydrophobicContact CG2-CE1 3.91Å; L142-F145 VanDerWaalsContact CA-CB 3.5Å; L142-F145 HydrophobicContact CB-CB 4.06Å; L142-F145 HydrophobicContact CD1-CB 3.57Å; L142-F145 HydrophobicContact CD1-CD1 3.24Å; L142-F145 HydrophobicContact CD1-CE1 4.05Å; L142-F145 HydrophobicContact CD1-CG 3.67Å; L142-F145 HydrophobicContact CG-CB 4.34Å; L142-F145 CarbonylContact O-C 3.54Å; L142-F145 WeakPolarHBondContact O-CB 3.4Å; L142-F145 PolarHBondContact O-N 2.97Å; F145-E147 PolarHBondContact O-N 2.75Å; F145-Y148 HydrophobicContact CB-CD2 4.18Å; F145-Y148 HydrophobicContact CD2-CD2 4.18Å; F145-Y148 HydrophobicContact CG-CD2 4.48Å; F145-Y148 PolarHBondContact O-N 2.83Å; F145-I149 HydrophobicContact CD1-CD1 3.55Å; F145-I149 HydrophobicContact CD1-CG1 4.08Å; F145-I149 HydrophobicContact CE1-CD1 3.27Å; F145-I149 HydrophobicContact CE1-CG1 4.04Å; F145-I149 HydrophobicContact CZ-CD1 4.15Å; F145-I149 WeakPolarHBondContact O-CB 3.33Å; F145-I149 VanDerWaalsContact O-CG1 3.24Å; F145-I149 WeakPolarHBondContact O-CG1 3.47Å; F145-I149 PolarHBondContact O-N 3.28Å; F145-E454 PolarHBondContact N-O 3.2Å
146	I	84.9	Confident	84.1	Confident	29 Å²	29	26.9 Å²	26.9	15%	0.149	17%	0.165	C	C	.	.	H	α-helix	trans	-58.2	-38.2	163.5	-59.4	159.5	0	0	0	109.8	F117 M121 I125 L142 I143 A144 I149 F150	F117-I146 HydrophobicContact CZ-CG2 4.04Å; M121-I146 HydrophobicContact CG-CG1 4.42Å; M121-I146 HydrophobicContact CG-CG2 3.9Å; M121-I146 HydrophobicContact SD-CG2 3.75Å; I125-I146 HydrophobicContact CD1-CD1 3.86Å; I125-I146 HydrophobicContact CG1-CD1 3.68Å; I125-I146 HydrophobicContact CG1-CG1 4.35Å; L142-I146 WeakPolarHBondContact O-CG1 3.43Å; L142-I146 PolarHBondContact O-N 3.37Å; I143-I146 VanDerWaalsContact O-CB 3.3Å; I143-I146 WeakPolarHBondContact O-CB 3.02Å; A144-I146 VanDerWaalsContact C-N 3.29Å; I146-I149 PolarHBondContact O-N 2.75Å; I146-F150 WeakPolarHBondContact O-CB 3.31Å; I146-F150 PolarHBondContact O-N 3.2Å
147	E	85.4	Confident	84.5	Confident	42 Å²	42	25.2 Å²	25.2	20%	0.196	14%	0.144	C	C	.	.	H	α-helix	trans	-69.6	-42.2	170.9	-58.4	-74.9	167.6	0	0	112.5	A144 F145 I149 F150 H151	A144-E147 HydrophobicContact CB-CB 3.51Å; A144-E147 HydrophobicContact CB-CG 3.04Å; A144-E147 CarbonylContact O-C 3.47Å; A144-E147 WeakPolarHBondContact O-CB 3.49Å; A144-E147 PolarHBondContact O-N 2.91Å; F145-E147 PolarHBondContact O-N 2.75Å; E147-I149 PolarHBondContact O-N 3.09Å; E147-F150 PolarHBondContact O-N 3.4Å; E147-H151 WeakPolarHBondContact O-CB 3.4Å; E147-H151 PolarHBondContact O-N 3.17Å; E147-H151 PolarHBondContact O-ND1 3.35Å; E147-H151 IonicContact OE2-CE1 3.47Å; E147-H151 PolarHBondContact OE2-CE1 3.23Å; E147-H151 IonicContact OE2-ND1 3.9Å
148	Y	88.4	Confident	84.8	Confident	11 Å²	11	25.2 Å²	25.2	4%	0.043	14%	0.144	C	C	.	.	H	α-helix	trans	-57.4	-37.7	172.4	-57.8	-24.4	0	0	0	110.7	L17 A144 F145 A152 E454	L17-Y148 HydrophobicContact CB-CD2 3.96Å; L17-Y148 HydrophobicContact CB-CE1 4.45Å; L17-Y148 HydrophobicContact CB-CE2 3.91Å; L17-Y148 HydrophobicContact CB-CG 4.29Å; L17-Y148 HydrophobicContact CD1-CD1 4.34Å; L17-Y148 HydrophobicContact CD1-CE1 4.03Å; A144-Y148 VanDerWaalsContact O-CD1 3.25Å; A144-Y148 WeakPolarHBondContact O-CD1 3.42Å; A144-Y148 VanDerWaalsContact O-CG 3.32Å; A144-Y148 PolarHBondContact O-N 3.32Å; F145-Y148 HydrophobicContact CB-CD2 4.18Å; F145-Y148 HydrophobicContact CD2-CD2 4.18Å; F145-Y148 HydrophobicContact CG-CD2 4.48Å; F145-Y148 PolarHBondContact O-N 2.83Å; Y148-A152 WeakPolarHBondContact O-CB 3.33Å; Y148-A152 PolarHBondContact O-N 2.99Å; Y148-E454 VanDerWaalsContact CE1-N 3.32Å; Y148-E454 VanDerWaalsContact CE1-OE2 3.31Å; Y148-E454 WeakPolarHBondContact CE1-OE2 3.46Å; Y148-E454 PolarHBondContact OH-OE2 3.4Å
149	I	86.7	Confident	84.8	Confident	2 Å²	2	25.3 Å²	25.3	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-73.3	-47.3	177.8	-71.7	-178	0	0	0	112.3	I18 V29 F117 V120 I124 F145 I146 E147 H151 A152 L153	I18-I149 HydrophobicContact CD1-CG1 4.12Å; I18-I149 HydrophobicContact CG1-CG1 4.4Å; V29-I149 HydrophobicContact CG2-CD1 3.51Å; V29-I149 HydrophobicContact CG2-CG1 3.58Å; F117-I149 HydrophobicContact CD2-CG2 4.38Å; F117-I149 HydrophobicContact CE2-CG2 4.09Å; V120-I149 HydrophobicContact CG1-CG2 4.19Å; I124-I149 HydrophobicContact CD1-CD1 3.23Å; I124-I149 HydrophobicContact CG1-CD1 4.05Å; I124-I149 HydrophobicContact CG2-CD1 4.22Å; F145-I149 HydrophobicContact CD1-CD1 3.55Å; F145-I149 HydrophobicContact CD1-CG1 4.08Å; F145-I149 HydrophobicContact CE1-CD1 3.27Å; F145-I149 HydrophobicContact CE1-CG1 4.04Å; F145-I149 HydrophobicContact CZ-CD1 4.15Å; F145-I149 WeakPolarHBondContact O-CB 3.33Å; F145-I149 VanDerWaalsContact O-CG1 3.24Å; F145-I149 WeakPolarHBondContact O-CG1 3.47Å; F145-I149 PolarHBondContact O-N 3.28Å; I146-I149 PolarHBondContact O-N 2.75Å; E147-I149 PolarHBondContact O-N 3.09Å; I149-H151 PolarHBondContact O-N 2.75Å; I149-A152 PolarHBondContact O-N 2.74Å; I149-A152 VanDerWaalsContact O-N 3.08Å; I149-L153 HydrophobicContact CG2-CD1 3.65Å; I149-L153 HydrophobicContact CG2-CG 4.03Å; I149-L153 WeakPolarHBondContact O-CB 3.48Å; I149-L153 WeakPolarHBondContact O-CG 3.17Å; I149-L153 PolarHBondContact O-N 3.26Å
150	F	87.5	Confident	84.5	Confident	49 Å²	49	21.1 Å²	21.1	22%	0.215	11%	0.109	C	C	.	.	H	α-helix	trans	-51.4	-51.5	176.8	173.1	-101.1	0	0	0	108.6	F113 F114 F117 I146 E147 F154	F113-F150 HydrophobicContact CE1-CE2 4.29Å; F114-F150 HydrophobicContact CE1-CE2 4.22Å; F117-F150 HydrophobicContact CD2-CD2 4.37Å; F117-F150 HydrophobicContact CE1-CD2 4.27Å; F117-F150 VanDerWaalsContact CE2-CA 3.45Å; F117-F150 HydrophobicContact CE2-CB 3.63Å; F117-F150 HydrophobicContact CE2-CD2 4.04Å; F117-F150 HydrophobicContact CE2-CG 4.35Å; F117-F150 HydrophobicContact CZ-CB 3.84Å; F117-F150 AromaticContact CZ-CD2 3.98Å; F117-F150 HydrophobicContact CZ-CD2 3.98Å; F117-F150 HydrophobicContact CZ-CG 4.37Å; I146-F150 WeakPolarHBondContact O-CB 3.31Å; I146-F150 PolarHBondContact O-N 3.2Å; E147-F150 PolarHBondContact O-N 3.4Å; F150-F154 WeakPolarHBondContact O-CB 3.31Å; F150-F154 PolarHBondContact O-N 2.87Å
151	H	89	Confident	84.4	Confident	13 Å²	13	22.1 Å²	22.1	6%	0.06	11%	0.111	C	C	.	.	H	α-helix	trans	-72.4	-26.5	179.1	-64.4	103	0	0	0	114.3	E147 I149 S155 A451 Q452	E147-H151 WeakPolarHBondContact O-CB 3.4Å; E147-H151 PolarHBondContact O-N 3.17Å; E147-H151 PolarHBondContact O-ND1 3.35Å; E147-H151 IonicContact OE2-CE1 3.47Å; E147-H151 PolarHBondContact OE2-CE1 3.23Å; E147-H151 IonicContact OE2-ND1 3.9Å; I149-H151 PolarHBondContact O-N 2.75Å; H151-S155 WeakPolarHBondContact O-CA 3.45Å; H151-S155 WeakPolarHBondContact O-CB 3.2Å; H151-S155 PolarHBondContact O-N 3.28Å; H151-S155 PolarHBondContact O-OG 2.89Å; H151-A451 PolarHBondContact CD2-O 3.45Å; H151-Q452 PolarHBondContact CD2-N 3.49Å; H151-Q452 VanDerWaalsContact CD2-N 3.27Å; H151-Q452 VanDerWaalsContact CE1-C 3.46Å; H151-Q452 PolarHBondContact CE1-O 3.38Å; H151-Q452 WeakPolarHBondContact ND1-CA 3.45Å; H151-Q452 PolarHBondContact NE2-N 2.95Å
152	A	87.4	Confident	84.2	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-72.5	-47.3	173.4	0	0	0	0	0	112.4	I18 Y148 I149 S155 F156	I18-A152 HydrophobicContact CD1-CB 3.74Å; Y148-A152 WeakPolarHBondContact O-CB 3.33Å; Y148-A152 PolarHBondContact O-N 2.99Å; I149-A152 PolarHBondContact O-N 2.74Å; I149-A152 VanDerWaalsContact O-N 3.08Å; A152-S155 WeakPolarHBondContact O-CB 3.12Å; A152-S155 PolarHBondContact O-N 2.87Å; A152-F156 PolarHBondContact O-N 2.89Å
153	L	88.7	Confident	83.5	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-68.8	-40	176.8	-62.7	-179.3	0	0	0	110.2	V29 A32 L33 L36 F113 F117 V120 I149 F156 M157	V29-L153 HydrophobicContact CG1-CD2 4.04Å; A32-L153 HydrophobicContact CB-CD1 4.49Å; A32-L153 HydrophobicContact CB-CD2 3.89Å; L33-L153 HydrophobicContact CD2-CD2 3.86Å; L36-L153 HydrophobicContact CD1-CB 3.94Å; L36-L153 HydrophobicContact CD1-CD2 3.69Å; L36-L153 HydrophobicContact CD1-CG 4.32Å; F113-L153 VanDerWaalsContact CE2-C 3.48Å; F113-L153 HydrophobicContact CE2-CB 3.76Å; F113-L153 HydrophobicContact CZ-CB 4.11Å; F117-L153 HydrophobicContact CD2-CD1 4.14Å; V120-L153 HydrophobicContact CG1-CD1 4.18Å; I149-L153 HydrophobicContact CG2-CD1 3.65Å; I149-L153 HydrophobicContact CG2-CG 4.03Å; I149-L153 WeakPolarHBondContact O-CB 3.48Å; I149-L153 WeakPolarHBondContact O-CG 3.17Å; I149-L153 PolarHBondContact O-N 3.26Å; L153-F156 WeakPolarHBondContact O-CB 3.26Å; L153-F156 PolarHBondContact O-N 3.16Å; L153-F156 VanDerWaalsContact O-N 3.15Å; L153-M157 PolarHBondContact O-N 3.27Å
154	F	88.4	Confident	83	Confident	41 Å²	41	29.9 Å²	29.9	18%	0.18	15%	0.145	C	C	.	.	H	α-helix	trans	-65.3	-39	173.3	-172.6	-111.6	0	0	0	111.8	F113 F150 F156 M157 L158 I450	F113-F154 HydrophobicContact CE1-CD2 4.5Å; F113-F154 HydrophobicContact CZ-CB 4.02Å; F113-F154 HydrophobicContact CZ-CD2 4.42Å; F150-F154 WeakPolarHBondContact O-CB 3.31Å; F150-F154 PolarHBondContact O-N 2.87Å; F154-F156 VanDerWaalsContact C-N 3.3Å; F154-F156 PolarHBondContact O-N 3.33Å; F154-M157 HydrophobicContact CD2-CE 3.45Å; F154-M157 VanDerWaalsContact CD2-CE 3.45Å; F154-M157 HydrophobicContact CE2-CE 3.54Å; F154-M157 PolarHBondContact O-N 2.86Å; F154-L158 HydrophobicContact CD1-CD1 3.7Å; F154-L158 HydrophobicContact CD1-CG 4.5Å; F154-L158 HydrophobicContact CE1-CD1 3.49Å; F154-L158 VanDerWaalsContact CE1-CD1 3.49Å; F154-L158 HydrophobicContact CE1-CG 4.37Å; F154-L158 HydrophobicContact CG-CD1 4.4Å; F154-L158 HydrophobicContact CZ-CD1 4.04Å; F154-L158 WeakPolarHBondContact O-CB 3.41Å; F154-L158 VanDerWaalsContact O-CG 3.31Å; F154-L158 WeakPolarHBondContact O-CG 3.12Å; F154-L158 PolarHBondContact O-N 2.84Å; F154-I450 HydrophobicContact CE1-CD1 4.01Å; F154-I450 WeakPolarHBondContact CE1-O 3.31Å
155	S	86.6	Confident	82.8	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-55.9	-47.2	168.1	-68.5	0	0	0	0	110.8	T7 M10 F11 H151 A152 M157 L158 F159	T7-S155 WeakPolarHBondContact CG2-O 3.47Å; M10-S155 VanDerWaalsContact CE-OG 3.25Å; M10-S155 WeakPolarHBondContact CE-OG 3.24Å; M10-S155 WeakPolarHBondContact CG-OG 3.49Å; M10-S155 PolarHBondContact SD-OG 2.86Å; F11-S155 PolarHBondContact N-OG 3.16Å; H151-S155 WeakPolarHBondContact O-CA 3.45Å; H151-S155 WeakPolarHBondContact O-CB 3.2Å; H151-S155 PolarHBondContact O-N 3.28Å; H151-S155 PolarHBondContact O-OG 2.89Å; A152-S155 WeakPolarHBondContact O-CB 3.12Å; A152-S155 PolarHBondContact O-N 2.87Å; S155-M157 PolarHBondContact O-N 3.15Å; S155-L158 CarbonylContact O-C 3.56Å; S155-L158 PolarHBondContact O-N 3.38Å; S155-F159 WeakPolarHBondContact O-CB 3.3Å; S155-F159 PolarHBondContact O-N 2.79Å
156	F	84.6	Confident	82.6	Confident	25 Å²	25	40 Å²	40	11%	0.11	19%	0.186	C	C	.	.	H	α-helix	trans	-65.2	-40.8	-176.5	-164.9	-95.1	0	0	0	112.3	F11 L33 L36 L37 A152 L153 F154 F159 A160	F11-F156 HydrophobicContact CE2-CB 4.44Å; F11-F156 AromaticContact CE2-CD2 3.9Å; F11-F156 HydrophobicContact CE2-CD2 3.9Å; F11-F156 HydrophobicContact CZ-CD2 4.22Å; L33-F156 HydrophobicContact CB-CE2 4.35Å; L33-F156 HydrophobicContact CB-CZ 4.33Å; L33-F156 HydrophobicContact CD2-CB 3.77Å; L33-F156 HydrophobicContact CD2-CD1 4.11Å; L33-F156 HydrophobicContact CD2-CD2 3.65Å; L33-F156 HydrophobicContact CD2-CE2 4.22Å; L33-F156 HydrophobicContact CD2-CG 3.56Å; L33-F156 HydrophobicContact CG-CD2 4.49Å; L33-F156 VanDerWaalsContact O-CE1 3.3Å; L33-F156 WeakPolarHBondContact O-CE1 3.5Å; L36-F156 HydrophobicContact CB-CD1 3.79Å; L36-F156 HydrophobicContact CB-CE1 4.04Å; L36-F156 HydrophobicContact CD1-CD1 4.24Å; L37-F156 HydrophobicContact CB-CE1 3.72Å; L37-F156 HydrophobicContact CB-CZ 3.87Å; L37-F156 HydrophobicContact CD1-CE1 4.08Å; L37-F156 HydrophobicContact CD1-CZ 3.92Å; L37-F156 HydrophobicContact CD2-CZ 4.48Å; L37-F156 HydrophobicContact CG-CE1 4.45Å; L37-F156 HydrophobicContact CG-CZ 4.3Å; A152-F156 PolarHBondContact O-N 2.89Å; L153-F156 WeakPolarHBondContact O-CB 3.26Å; L153-F156 PolarHBondContact O-N 3.16Å; L153-F156 VanDerWaalsContact O-N 3.15Å; F154-F156 VanDerWaalsContact C-N 3.3Å; F154-F156 PolarHBondContact O-N 3.33Å; F156-F159 WeakPolarHBondContact O-CB 3.48Å; F156-F159 PolarHBondContact O-N 3.32Å; F156-A160 PolarHBondContact O-N 2.95Å
157	M	83.3	Confident	82	Confident	44 Å²	44	42 Å²	42	22%	0.217	20%	0.201	C	C	.	.	H	α-helix	trans	-58.5	-47.7	170	-176.5	179.9	68.9	0	0	111.7	F113 L153 F154 S155 F159 A160 T161	F113-M157 HydrophobicContact CB-SD 4.01Å; F113-M157 HydrophobicContact CD2-CB 4.29Å; F113-M157 HydrophobicContact CD2-SD 3.93Å; F113-M157 HydrophobicContact CE2-CB 4.44Å; F113-M157 HydrophobicContact CG-SD 3.89Å; L153-M157 PolarHBondContact O-N 3.27Å; F154-M157 HydrophobicContact CD2-CE 3.45Å; F154-M157 VanDerWaalsContact CD2-CE 3.45Å; F154-M157 HydrophobicContact CE2-CE 3.54Å; F154-M157 PolarHBondContact O-N 2.86Å; S155-M157 PolarHBondContact O-N 3.15Å; M157-F159 VanDerWaalsContact C-N 3.33Å; M157-F159 PolarHBondContact O-N 3.5Å; M157-A160 PolarHBondContact O-N 3.25Å; M157-T161 PolarHBondContact O-N 3.14Å; M157-T161 VanDerWaalsContact O-N 3.11Å; M157-T161 PolarHBondContact O-OG1 3.12Å
158	L	84.9	Confident	81.5	Confident	9 Å²	9	46 Å²	46	5%	0.047	21%	0.214	C	C	.	.	H	α-helix	trans	-66.1	-33.1	177.7	-72.6	172.7	0	0	0	113.1	T3 T7 M10 F154 S155 T161 V162 N449	T3-L158 HydrophobicContact CG2-CB 4.03Å; T3-L158 HydrophobicContact CG2-CD1 4.21Å; T3-L158 HydrophobicContact CG2-CD2 4.34Å; T3-L158 HydrophobicContact CG2-CG 4.44Å; T7-L158 HydrophobicContact CG2-CB 4.27Å; M10-L158 HydrophobicContact CE-CD1 4.31Å; F154-L158 HydrophobicContact CD1-CD1 3.7Å; F154-L158 HydrophobicContact CD1-CG 4.5Å; F154-L158 HydrophobicContact CE1-CD1 3.49Å; F154-L158 VanDerWaalsContact CE1-CD1 3.49Å; F154-L158 HydrophobicContact CE1-CG 4.37Å; F154-L158 HydrophobicContact CG-CD1 4.4Å; F154-L158 HydrophobicContact CZ-CD1 4.04Å; F154-L158 WeakPolarHBondContact O-CB 3.41Å; F154-L158 VanDerWaalsContact O-CG 3.31Å; F154-L158 WeakPolarHBondContact O-CG 3.12Å; F154-L158 PolarHBondContact O-N 2.84Å; S155-L158 CarbonylContact O-C 3.56Å; S155-L158 PolarHBondContact O-N 3.38Å; L158-T161 CarbonylContact O-C 3.55Å; L158-T161 WeakPolarHBondContact O-CA 3.2Å; L158-T161 WeakPolarHBondContact O-CB 3.33Å; L158-T161 PolarHBondContact O-N 2.91Å; L158-T161 VanDerWaalsContact O-N 3.16Å; L158-V162 PolarHBondContact O-N 2.98Å; L158-N449 HydrophobicContact CD1-CB 3.91Å; L158-N449 HydrophobicContact CD2-CB 3.82Å; L158-N449 WeakPolarHBondContact CD2-OD1 3.49Å
159	F	80.7	Confident	81	Confident	64 Å²	64	47.4 Å²	47.4	28%	0.281	23%	0.228	S	C	.	.	H	α-helix	trans	-69.1	-43.3	177.6	-170.5	-103.8	0	0	0	111.1	T7 P8 S155 F156 M157 T161 V162 F163	T7-F159 HydrophobicContact CG2-CB 3.78Å; T7-F159 HydrophobicContact CG2-CD2 4.13Å; T7-F159 HydrophobicContact CG2-CG 4.47Å; P8-F159 HydrophobicContact CG-CE2 4.27Å; S155-F159 WeakPolarHBondContact O-CB 3.3Å; S155-F159 PolarHBondContact O-N 2.79Å; F156-F159 WeakPolarHBondContact O-CB 3.48Å; F156-F159 PolarHBondContact O-N 3.32Å; M157-F159 VanDerWaalsContact C-N 3.33Å; M157-F159 PolarHBondContact O-N 3.5Å; F159-T161 PolarHBondContact O-N 2.79Å; F159-V162 WeakPolarHBondContact O-CA 3.5Å; F159-V162 VanDerWaalsContact O-CB 3.31Å; F159-V162 WeakPolarHBondContact O-CB 3.44Å; F159-V162 PolarHBondContact O-N 2.95Å; F159-F163 HydrophobicContact CD1-CD2 4Å; F159-F163 AromaticContact CD1-CE2 3.96Å; F159-F163 HydrophobicContact CD1-CE2 3.96Å; F159-F163 AromaticContact CE1-CD2 3.83Å; F159-F163 HydrophobicContact CE1-CD2 3.83Å; F159-F163 AromaticContact CE1-CE2 3.31Å; F159-F163 HydrophobicContact CE1-CE2 3.31Å; F159-F163 HydrophobicContact CE1-CZ 4.05Å; F159-F163 HydrophobicContact CE2-CE2 4.07Å; F159-F163 HydrophobicContact CZ-CD2 4.22Å; F159-F163 AromaticContact CZ-CE2 3.39Å; F159-F163 HydrophobicContact CZ-CE2 3.39Å; F159-F163 HydrophobicContact CZ-CZ 4.14Å; F159-F163 PolarHBondContact O-N 3.4Å
160	A	74.6	Confident	80.9	Confident	10 Å²	10	51.2 Å²	51.2	8%	0.083	25%	0.248	C	C	.	.	H	α-helix	trans	-59.2	-35.7	169.7	0	0	0	0	0	110.7	V40 F156 M157 V162 F163 M164	V40-A160 HydrophobicContact CB-CB 3.98Å; V40-A160 HydrophobicContact CG1-CB 3.59Å; V40-A160 HydrophobicContact CG2-CB 3.96Å; F156-A160 PolarHBondContact O-N 2.95Å; M157-A160 PolarHBondContact O-N 3.25Å; A160-V162 PolarHBondContact O-N 3.13Å; A160-F163 PolarHBondContact O-N 2.86Å; A160-M164 PolarHBondContact O-N 3.37Å; A160-M164 VanDerWaalsContact O-N 3.14Å
161	T	76	Confident	80.5	Confident	41 Å²	41	52 Å²	52	25%	0.252	26%	0.257	S	S	.	.	H	α-helix	trans	-77.8	4.5	172.1	-31	0	0	0	0	114.4	M157 L158 F159 M164 K448	M157-T161 PolarHBondContact O-N 3.14Å; M157-T161 VanDerWaalsContact O-N 3.11Å; M157-T161 PolarHBondContact O-OG1 3.12Å; L158-T161 CarbonylContact O-C 3.55Å; L158-T161 WeakPolarHBondContact O-CA 3.2Å; L158-T161 WeakPolarHBondContact O-CB 3.33Å; L158-T161 PolarHBondContact O-N 2.91Å; L158-T161 VanDerWaalsContact O-N 3.16Å; F159-T161 PolarHBondContact O-N 2.79Å; T161-M164 HydrophobicContact CG2-CE 3.96Å; T161-K448 WeakPolarHBondContact O-CE 3.5Å; T161-K448 PolarHBondContact O-NZ 3.36Å
162	V	76.8	Confident	80.1	Confident	32 Å²	32	52.5 Å²	52.5	19%	0.194	26%	0.262	C	S	.	.	H	α-helix	trans	-97.4	-45.3	161.6	173.9	0	0	0	0	109.8	T3 L158 F159 A160 M164 M165 Y166	T3-V162 WeakPolarHBondContact OG1-CG2 3.38Å; L158-V162 PolarHBondContact O-N 2.98Å; F159-V162 WeakPolarHBondContact O-CA 3.5Å; F159-V162 VanDerWaalsContact O-CB 3.31Å; F159-V162 WeakPolarHBondContact O-CB 3.44Å; F159-V162 PolarHBondContact O-N 2.95Å; A160-V162 PolarHBondContact O-N 3.13Å; V162-M164 PolarHBondContact O-N 3.43Å; V162-M165 PolarHBondContact O-N 3.02Å; V162-Y166 PolarHBondContact O-N 2.87Å
163	F	72.1	Confident	79.9	Confident	132 Å²	132	55 Å²	55	58%	0.579	28%	0.283	S	S	*	.	H	α-helix	trans	-59.4	-28.5	178.5	-90.3	-107.1	0	0	0	113.5	F159 A160 P167	F159-F163 HydrophobicContact CD1-CD2 4Å; F159-F163 AromaticContact CD1-CE2 3.96Å; F159-F163 HydrophobicContact CD1-CE2 3.96Å; F159-F163 AromaticContact CE1-CD2 3.83Å; F159-F163 HydrophobicContact CE1-CD2 3.83Å; F159-F163 AromaticContact CE1-CE2 3.31Å; F159-F163 HydrophobicContact CE1-CE2 3.31Å; F159-F163 HydrophobicContact CE1-CZ 4.05Å; F159-F163 HydrophobicContact CE2-CE2 4.07Å; F159-F163 HydrophobicContact CZ-CD2 4.22Å; F159-F163 AromaticContact CZ-CE2 3.39Å; F159-F163 HydrophobicContact CZ-CE2 3.39Å; F159-F163 HydrophobicContact CZ-CZ 4.14Å; F159-F163 PolarHBondContact O-N 3.4Å; A160-F163 PolarHBondContact O-N 2.86Å; F163-P167 WeakPolarHBondContact O-CD 3.16Å
164	M	71.5	Confident	79.7	Confident	81 Å²	81	60.9 Å²	60.9	40%	0.399	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-23.7	172.2	-70.5	-173.3	-74.1	0	0	114.6	V40 A44 A160 T161 V162	V40-M164 HydrophobicContact CG1-CE 4.06Å; A44-M164 HydrophobicContact CB-SD 3.69Å; A160-M164 PolarHBondContact O-N 3.37Å; A160-M164 VanDerWaalsContact O-N 3.14Å; T161-M164 HydrophobicContact CG2-CE 3.96Å; V162-M164 PolarHBondContact O-N 3.43Å
165	M	77.6	Confident	79.1	Confident	51 Å²	51	65.4 Å²	65.4	25%	0.251	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-17.7	-177.4	-78.1	-176.9	161.4	0	0	113.7	V162 A169 L445 S447 K448	V162-M165 PolarHBondContact O-N 3.02Å; M165-A169 VanDerWaalsContact O-CB 3.31Å; M165-A169 WeakPolarHBondContact O-CB 3.21Å; M165-A169 PolarHBondContact O-N 3.28Å; M165-L445 HydrophobicContact CE-CD1 4.13Å; M165-S447 PolarHBondContact SD-OG 3.23Å; M165-K448 PolarHBondContact SD-NZ 3.34Å; M165-K448 VanDerWaalsContact SD-NZ 3.37Å
166	Y	78.8	Confident	78.9	Confident	163 Å²	163	70.2 Å²	70.2	64%	0.639	35%	0.351	S	S	*	.	H	α-helix	trans	-61.2	-44.5	174.1	-176.1	-96.2	0	0	0	113.2	V162 A169 N170	V162-Y166 PolarHBondContact O-N 2.87Å; Y166-A169 PolarHBondContact O-N 2.98Å; Y166-N170 WeakPolarHBondContact O-CB 3.46Å; Y166-N170 PolarHBondContact O-N 2.84Å
167	P	73.9	Confident	79.2	Confident	71 Å²	71	73.8 Å²	73.8	46%	0.461	37%	0.368	S	S	.	.	H	α-helix	trans	-64.8	-44.2	177.7	-22	34.1	0	0	0	112.9	F163 A169 N170 V171	F163-P167 WeakPolarHBondContact O-CD 3.16Å; P167-A169 VanDerWaalsContact C-N 3.33Å; P167-A169 PolarHBondContact O-N 2.92Å; P167-N170 WeakPolarHBondContact O-CB 3.49Å; P167-N170 PolarHBondContact O-N 3.03Å; P167-N170 VanDerWaalsContact O-N 3.13Å; P167-V171 WeakPolarHBondContact O-CG2 3.35Å; P167-V171 PolarHBondContact O-N 3.32Å
168	R	73.8	Confident	79.3	Confident	126 Å²	126	78.1 Å²	78.1	48%	0.475	39%	0.388	S	S	.	.	H	α-helix	trans	-60	-42.3	176.2	-70.5	-178.9	71.3	168.1	7.8	112.1	S172 E444 L445	R168-S172 PolarHBondContact O-N 2.98Å; R168-S172 VanDerWaalsContact O-N 3.12Å; R168-S172 PolarHBondContact O-OG 3.24Å; R168-E444 WeakPolarHBondContact CB-OE1 3.48Å; R168-E444 IonicContact CZ-OE1 3.21Å; R168-E444 IonicContact CZ-OE2 2.71Å; R168-E444 IonicContact NE-OE1 3.06Å; R168-E444 PolarHBondContact NE-OE1 3.34Å; R168-E444 IonicContact NE-OE2 2.69Å; R168-E444 PolarHBondContact NE-OE2 2.92Å; R168-E444 IonicContact NH2-OE1 2.59Å; R168-E444 PolarHBondContact NH2-OE1 3.34Å; R168-E444 IonicContact NH2-OE2 3.94Å; R168-E444 PolarHBondContact NH2-OE2 2.91Å; R168-L445 HydrophobicContact CB-CD2 3.9Å
169	A	78.8	Confident	79.1	Confident	40 Å²	40	83.1 Å²	83.1	33%	0.331	42%	0.418	S	S	.	.	H	α-helix	trans	-65.7	-38.5	174.3	0	0	0	0	0	112.2	M165 Y166 P167 S172 A173 L445	M165-A169 VanDerWaalsContact O-CB 3.31Å; M165-A169 WeakPolarHBondContact O-CB 3.21Å; M165-A169 PolarHBondContact O-N 3.28Å; Y166-A169 PolarHBondContact O-N 2.98Å; P167-A169 VanDerWaalsContact C-N 3.33Å; P167-A169 PolarHBondContact O-N 2.92Å; A169-S172 PolarHBondContact O-N 3.27Å; A169-A173 WeakPolarHBondContact O-CB 3.44Å; A169-A173 PolarHBondContact O-N 3.39Å; A169-L445 HydrophobicContact CB-CD2 3.93Å
170	N	84.2	Confident	79.3	Confident	82 Å²	82	87.7 Å²	87.7	44%	0.439	44%	0.438	S	S	.	.	H	α-helix	trans	-64	-48.1	177.8	-166.8	78.7	0	0	0	111.9	Y166 P167 S172 A173 E174	Y166-N170 WeakPolarHBondContact O-CB 3.46Å; Y166-N170 PolarHBondContact O-N 2.84Å; P167-N170 WeakPolarHBondContact O-CB 3.49Å; P167-N170 PolarHBondContact O-N 3.03Å; P167-N170 VanDerWaalsContact O-N 3.13Å; N170-S172 VanDerWaalsContact C-N 3.28Å; N170-S172 PolarHBondContact O-N 3.44Å; N170-A173 PolarHBondContact O-N 3Å; N170-A173 VanDerWaalsContact O-N 3.15Å; N170-E174 WeakPolarHBondContact O-CB 3.45Å; N170-E174 PolarHBondContact O-N 3.01Å
171	V	79.5	Confident	79.9	Confident	66 Å²	66	92.4 Å²	92.4	40%	0.4	46%	0.462	S	S	.	.	H	α-helix	trans	-61.3	-37.2	176.2	175.2	0	0	0	0	111.7	P167 R175	P167-V171 WeakPolarHBondContact O-CG2 3.35Å; P167-V171 PolarHBondContact O-N 3.32Å; V171-R175 WeakPolarHBondContact O-CG 3.38Å; V171-R175 PolarHBondContact O-N 3.12Å
172	S	80.3	Confident	80.2	Confident	23 Å²	23	96.9 Å²	96.9	16%	0.161	48%	0.482	C	S	.	.	H	α-helix	trans	-69.1	-38.9	175.5	-54.8	0	0	0	0	112.1	R168 A169 N170 I176	R168-S172 PolarHBondContact O-N 2.98Å; R168-S172 VanDerWaalsContact O-N 3.12Å; R168-S172 PolarHBondContact O-OG 3.24Å; A169-S172 PolarHBondContact O-N 3.27Å; N170-S172 VanDerWaalsContact C-N 3.28Å; N170-S172 PolarHBondContact O-N 3.44Å; S172-I176 VanDerWaalsContact O-CG1 3.3Å; S172-I176 WeakPolarHBondContact O-CG1 3.41Å; S172-I176 PolarHBondContact O-N 2.82Å
173	A	82.9	Confident	80.4	Confident	54 Å²	54	101.8 Å²	101.8	45%	0.446	50%	0.503	S	S	.	.	H	α-helix	trans	-68.2	-37.7	176.8	0	0	0	0	0	112	A169 N170 I176 Q177	A169-A173 WeakPolarHBondContact O-CB 3.44Å; A169-A173 PolarHBondContact O-N 3.39Å; N170-A173 PolarHBondContact O-N 3Å; N170-A173 VanDerWaalsContact O-N 3.15Å; A173-I176 PolarHBondContact O-N 2.95Å; A173-Q177 WeakPolarHBondContact O-CB 3.37Å; A173-Q177 PolarHBondContact O-N 3.49Å
174	E	84.2	Confident	80.8	Confident	124 Å²	124	100 Å²	100	58%	0.579	51%	0.505	S	S	*	.	H	α-helix	trans	-60	-49.7	175.7	-171.8	170	-164.6	0	0	111.2	N170 I176 Q177 E178	N170-E174 WeakPolarHBondContact O-CB 3.45Å; N170-E174 PolarHBondContact O-N 3.01Å; E174-I176 VanDerWaalsContact C-N 3.31Å; E174-I176 PolarHBondContact O-N 3Å; E174-Q177 PolarHBondContact O-N 3Å; E174-E178 WeakPolarHBondContact O-CB 3.39Å; E174-E178 PolarHBondContact O-N 3.12Å
175	R	77.1	Confident	80.9	Confident	136 Å²	136	101.4 Å²	101.4	51%	0.513	51%	0.512	S	S	.	.	H	α-helix	trans	-61.5	-34.1	174.5	-67.9	174.8	-175.2	179.3	1.5	113.8	V171 V179	V171-R175 WeakPolarHBondContact O-CG 3.38Å; V171-R175 PolarHBondContact O-N 3.12Å; R175-V179 WeakPolarHBondContact O-CG2 3.34Å
176	I	82	Confident	81.1	Confident	100 Å²	100	101 Å²	101	51%	0.513	51%	0.511	S	S	.	.	H	α-helix	trans	-73.1	-39.7	176	-69.4	167.8	0	0	0	110.4	S172 A173 E174 V179 F180	S172-I176 VanDerWaalsContact O-CG1 3.3Å; S172-I176 WeakPolarHBondContact O-CG1 3.41Å; S172-I176 PolarHBondContact O-N 2.82Å; A173-I176 PolarHBondContact O-N 2.95Å; E174-I176 VanDerWaalsContact C-N 3.31Å; E174-I176 PolarHBondContact O-N 3Å; I176-V179 PolarHBondContact O-N 2.91Å; I176-F180 HydrophobicContact CG2-CD2 3.86Å; I176-F180 HydrophobicContact CG2-CE2 3.61Å; I176-F180 VanDerWaalsContact O-CD2 3.28Å; I176-F180 WeakPolarHBondContact O-CD2 3.31Å; I176-F180 PolarHBondContact O-N 3.15Å
177	Q	89.5	Confident	81.1	Confident	100 Å²	100	99.8 Å²	99.8	47%	0.467	51%	0.509	S	S	.	.	H	α-helix	trans	-66.6	-40	177.7	-168.8	63.7	42.5	0	0	111.2	A173 E174 V179 F180 D181	A173-Q177 WeakPolarHBondContact O-CB 3.37Å; A173-Q177 PolarHBondContact O-N 3.49Å; E174-Q177 PolarHBondContact O-N 3Å; Q177-V179 VanDerWaalsContact C-N 3.26Å; Q177-V179 PolarHBondContact O-N 3.42Å; Q177-F180 CarbonylContact O-C 2.83Å; Q177-F180 WeakPolarHBondContact O-CA 3.34Å; Q177-F180 PolarHBondContact O-N 3.41Å; Q177-D181 PolarHBondContact NE2-OD1 2.96Å; Q177-D181 WeakPolarHBondContact O-CB 3.31Å; Q177-D181 VanDerWaalsContact O-CG 3.3Å; Q177-D181 PolarHBondContact O-N 3.15Å
178	E	85.6	Confident	81.4	Confident	136 Å²	136	100.2 Å²	100.2	64%	0.636	51%	0.507	S	S	*	.	H	α-helix	trans	-52	-42.4	172.4	-174.9	-177.9	-178	0	0	112.2	E174 M182	E174-E178 WeakPolarHBondContact O-CB 3.39Å; E174-E178 PolarHBondContact O-N 3.12Å; E178-M182 PolarHBondContact O-N 3.47Å
179	V	82.3	Confident	81.3	Confident	113 Å²	113	97.3 Å²	97.3	69%	0.685	50%	0.501	S	S	*	.	H	α-helix	trans	-70.2	-34.1	176.2	177	0	0	0	0	112.5	R175 I176 Q177	R175-V179 WeakPolarHBondContact O-CG2 3.34Å; I176-V179 PolarHBondContact O-N 2.91Å; Q177-V179 VanDerWaalsContact C-N 3.26Å; Q177-V179 PolarHBondContact O-N 3.42Å
180	F	84.6	Confident	80.8	Confident	160 Å²	160	100 Å²	100	70%	0.702	52%	0.516	S	S	*	.	H	α-helix	trans	-75.3	-30.6	176.3	-78.9	-60.1	0	0	0	113.5	I176 Q177 M182	I176-F180 HydrophobicContact CG2-CD2 3.86Å; I176-F180 HydrophobicContact CG2-CE2 3.61Å; I176-F180 VanDerWaalsContact O-CD2 3.28Å; I176-F180 WeakPolarHBondContact O-CD2 3.31Å; I176-F180 PolarHBondContact O-N 3.15Å; Q177-F180 CarbonylContact O-C 2.83Å; Q177-F180 WeakPolarHBondContact O-CA 3.34Å; Q177-F180 PolarHBondContact O-N 3.41Å; F180-M182 VanDerWaalsContact C-N 3.33Å
181	D	85.7	Confident	79.9	Confident	110 Å²	110	104.5 Å²	104.5	59%	0.588	53%	0.534	S	S	*	.	H	α-helix	trans	-83	-10.8	-179.4	-67.7	-7.9	0	0	0	112.5	Q177 E183	Q177-D181 PolarHBondContact NE2-OD1 2.96Å; Q177-D181 WeakPolarHBondContact O-CB 3.31Å; Q177-D181 VanDerWaalsContact O-CG 3.3Å; Q177-D181 PolarHBondContact O-N 3.15Å; D181-E183 PolarHBondContact O-N 3.48Å
182	M	83.8	Confident	79.2	Confident	135 Å²	135	104.5 Å²	104.5	67%	0.665	53%	0.528	S	S	*	.			trans	-70.7	107.3	-179.9	-166.1	66.7	167	0	0	112.2	E178 F180	E178-M182 PolarHBondContact O-N 3.47Å; F180-M182 VanDerWaalsContact C-N 3.33Å
183	E	80.2	Confident	78.2	Confident	135 Å²	135	108.8 Å²	108.8	63%	0.631	55%	0.554	S	S	*	*			trans	-66.2	136.4	175.3	-78.8	-155.1	-172.3	0	0	112.4	D181 I185 K187	D181-E183 PolarHBondContact O-N 3.48Å; E183-I185 PolarHBondContact O-N 2.93Å; E183-K187 IonicContact OE2-NZ 2.77Å; E183-K187 PolarHBondContact OE2-NZ 2.76Å
184	P	79.5	Confident	77.3	Confident	95 Å²	95	107.7 Å²	107.7	62%	0.617	55%	0.545	S	S	*	.			trans	-62.8	119.2	171.1	-20.8	32.2	0	0	0	111.6	I186	P184-I186 VanDerWaalsContact C-N 3.29Å; P184-I186 PolarHBondContact O-N 3.48Å
185	I	75.1	Confident	76.6	Confident	109 Å²	109	109.5 Å²	109.5	56%	0.559	55%	0.553	S	S	*	*	S	Bend	trans	-61.3	-37.3	-178.6	-61.9	156.8	0	0	0	111.5	E183 P212	E183-I185 PolarHBondContact O-N 2.93Å; I185-P212 HydrophobicContact CD1-CG 3.8Å
186	I	81.4	Confident	76.1	Confident	43 Å²	43	106.4 Å²	106.4	22%	0.221	55%	0.551	C	S	.	*	S	Bend	trans	-98.7	110.7	178.3	-58	178.7	0	0	0	109.5	P184 R252 F253 L273	P184-I186 VanDerWaalsContact C-N 3.29Å; P184-I186 PolarHBondContact O-N 3.48Å; I186-R252 WeakPolarHBondContact CD1-O 3.36Å; I186-F253 WeakPolarHBondContact CD1-O 3.33Å; I186-L273 HydrophobicContact CG2-CD1 4.21Å; I186-L273 HydrophobicContact CG2-CD2 4.49Å
187	K	79.2	Confident	75.3	Confident	137 Å²	137	107.1 Å²	107.1	60%	0.596	56%	0.56	S	S	*	*			trans	-93.9	114.6	172.6	-62.2	-179.9	-177.4	-179.8	0	108.4	E183 R252	E183-K187 IonicContact OE2-NZ 2.77Å; E183-K187 PolarHBondContact OE2-NZ 2.76Å; K187-R252 PolarHBondContact O-NH2 3.05Å
188	D	79.4	Confident	74.4	Confident	80 Å²	80	108.1 Å²	108.1	43%	0.428	56%	0.564	S	S	.	*			trans	-74.4	140.9	168.8	-161.4	8.1	0	0	0	108.8	L273	D188-L273 HydrophobicContact CB-CD1 3.8Å; D188-L273 HydrophobicContact CB-CG 4.2Å; D188-L273 PolarHBondContact OD1-N 2.84Å
189	N	71.3	Confident	74.1	Confident	66 Å²	66	111.6 Å²	111.6	35%	0.353	57%	0.572	S	S	.	*			trans	-119.9	98.9	178.7	-172.2	-13.8	0	0	0	109.9	E191 K192	N189-E191 PolarHBondContact O-N 3.44Å; N189-E191 VanDerWaalsContact O-N 3.16Å; N189-E191 WeakPolarHBondContact OD1-CB 3.36Å; N189-E191 PolarHBondContact OD1-N 2.94Å; N189-K192 HydrophobicContact CB-CD 4.42Å; N189-K192 HydrophobicContact CB-CG 4.2Å; N189-K192 PolarHBondContact O-N 2.77Å
190	P	68.6	Low	73.9	Confident	97 Å²	97	106.5 Å²	106.5	63%	0.63	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-8.8	-177.4	28.1	-34.3	0	0	0	114.2	Q272	P190-Q272 PolarHBondContact O-NE2 3.35Å; P190-Q272 VanDerWaalsContact O-NE2 3.07Å
191	E	65.8	Low	74.2	Confident	175 Å²	175	99.6 Å²	99.6	82%	0.818	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-9.2	177.6	-60.8	-172.8	165.9	0	0	113.4	N189	N189-E191 PolarHBondContact O-N 3.44Å; N189-E191 VanDerWaalsContact O-N 3.16Å; N189-E191 WeakPolarHBondContact OD1-CB 3.36Å; N189-E191 PolarHBondContact OD1-N 2.94Å
192	K	64.9	Low	74.5	Confident	67 Å²	67	94.4 Å²	94.4	29%	0.291	49%	0.486	S	S	.	.			trans	-83.9	132.4	177.5	-64.5	-167.3	-179	-179.5	0	111.5	N189 R269 D270 Q272	N189-K192 HydrophobicContact CB-CD 4.42Å; N189-K192 HydrophobicContact CB-CG 4.2Å; N189-K192 PolarHBondContact O-N 2.77Å; K192-R269 PolarHBondContact NZ-O 3.25Å; K192-D270 WeakPolarHBondContact CB-O 3.1Å; K192-D270 HydrophobicContact CD-CB 4.36Å; K192-D270 IonicContact NZ-OD1 3.33Å; K192-D270 PolarHBondContact NZ-OD1 3.37Å; K192-Q272 VanDerWaalsContact O-CG 3.32Å; K192-Q272 WeakPolarHBondContact O-CG 3.35Å; K192-Q272 PolarHBondContact O-NE2 3.3Å; K192-Q272 VanDerWaalsContact O-NE2 3.09Å
193	T	59.8	Low	75	Confident	113 Å²	113	90.6 Å²	90.6	69%	0.693	47%	0.467	S	S	*	.			trans	-113	128.6	170	38.3	0	0	0	0	109.9
194	A	63.9	Low	75.7	Confident	31 Å²	31	84.3 Å²	84.3	26%	0.256	44%	0.437	S	S	.	.			trans	-81.3	130.3	-178.6	0	0	0	0	0	112.3	P196 Q266 Y271	A194-P196 WeakPolarHBondContact O-CD 3.43Å; A194-Q266 VanDerWaalsContact CB-OE1 3.24Å; A194-Y271 HydrophobicContact CB-CD1 3.47Å; A194-Y271 VanDerWaalsContact CB-CD1 3.47Å; A194-Y271 HydrophobicContact CB-CE1 3.43Å; A194-Y271 VanDerWaalsContact CB-CE1 3.43Å; A194-Y271 HydrophobicContact CB-CG 4.21Å
195	E	67.9	Low	76.3	Confident	161 Å²	161	84.8 Å²	84.8	75%	0.752	43%	0.427	S	S	*	.			trans	-116.6	84.1	172.6	-71.7	-170	176.5	0	0	109.1	T197	E195-T197 PolarHBondContact O-N 3.07Å
196	P	67.1	Low	77.2	Confident	71 Å²	71	84.1 Å²	84.1	46%	0.461	42%	0.424	S	S	.	.			trans	-66.9	130.2	-179.1	24.9	-31.4	0	0	0	111.2	A194 N264	A194-P196 WeakPolarHBondContact O-CD 3.43Å; P196-N264 HydrophobicContact CB-CB 3.72Å
197	T	65.7	Low	77.8	Confident	115 Å²	115	82 Å²	82	71%	0.706	41%	0.414	S	S	*	.	S	Bend	trans	-93	-28.6	-176.5	36.6	0	0	0	0	113.2	E195 N264	E195-T197 PolarHBondContact O-N 3.07Å; T197-N264 PolarHBondContact N-O 2.91Å; T197-N264 PolarHBondContact OG1-O 2.8Å
198	E	71.4	Confident	78.4	Confident	121 Å²	121	76.5 Å²	76.5	57%	0.565	39%	0.391	S	S	*	.	S	Bend	trans	-134.3	138.2	178.1	-66.3	-176.7	168.1	0	0	109.1	S201 N264	E198-S201 PolarHBondContact OE2-OG 3.08Å; E198-N264 PolarHBondContact N-O 2.9Å; E198-N264 CarbonylContact O-C 3.54Å; E198-N264 WeakPolarHBondContact O-CA 3.49Å; E198-N264 WeakPolarHBondContact O-CB 3.44Å; E198-N264 PolarHBondContact O-OD1 3.33Å
199	R	77.6	Confident	78.9	Confident	209 Å²	209	73 Å²	73	79%	0.789	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	129.2	178.7	-163.8	177.9	-170.2	-162.5	-3.8	110.9	E360	R199-E360 IonicContact CZ-OE1 3.56Å; R199-E360 VanDerWaalsContact CZ-OE1 3.31Å; R199-E360 IonicContact NE-OE1 3.98Å; R199-E360 PolarHBondContact NE-OE1 2.82Å; R199-E360 IonicContact NH2-OE1 3.21Å; R199-E360 PolarHBondContact NH2-OE1 3.17Å
200	G	79.4	Confident	79.5	Confident	6 Å²	6	71 Å²	71	6%	0.062	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	38	179.3	0	0	0	0	0	113.3	K228 A229 N264	G200-K228 CarbonylContact O-C 3.2Å; G200-A229 PolarHBondContact O-N 3.37Å; G200-N264 PolarHBondContact N-OD1 2.85Å
201	S	90	Very high	80.2	Confident	15 Å²	15	69.2 Å²	69.2	11%	0.105	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	144.8	171.4	67.9	0	0	0	0	112	E198 N264	E198-S201 PolarHBondContact OE2-OG 3.08Å; S201-N264 PolarHBondContact N-OD1 2.65Å; S201-N264 PolarHBondContact O-N 3.44Å
202	L	93.1	Very high	80.5	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.01	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	129.8	173.1	174.7	72.8	0	0	0	108.6	F204 T226 A227 I250 V261 L262 V263 V391 L393	L202-F204 HydrophobicContact CD1-CD2 4.49Å; L202-F204 HydrophobicContact CD1-CE2 4.05Å; L202-F204 HydrophobicContact CD2-CE2 4.21Å; L202-F204 HydrophobicContact CG-CD2 4.41Å; L202-F204 HydrophobicContact CG-CE2 4.2Å; L202-T226 CarbonylContact O-C 3.58Å; L202-T226 WeakPolarHBondContact O-CA 3.3Å; L202-A227 HydrophobicContact CB-CB 4.28Å; L202-A227 HydrophobicContact CD2-CB 4.45Å; L202-A227 PolarHBondContact N-O 3.37Å; L202-A227 PolarHBondContact O-N 3.35Å; L202-I250 HydrophobicContact CD1-CD1 4.32Å; L202-I250 HydrophobicContact CD1-CG1 4.47Å; L202-I250 HydrophobicContact CD1-CG2 4.29Å; L202-I250 HydrophobicContact CD2-CD1 4.04Å; L202-V261 HydrophobicContact CD1-CG1 4.26Å; L202-L262 WeakPolarHBondContact CA-O 3.29Å; L202-V263 HydrophobicContact CD1-CG2 3.97Å; L202-V391 HydrophobicContact CB-CG1 4.38Å; L202-V391 HydrophobicContact CD2-CG1 4.26Å; L202-L393 HydrophobicContact CD2-CD1 3.66Å; L202-L393 HydrophobicContact CD2-CD2 3.92Å; L202-L393 HydrophobicContact CD2-CG 4.23Å
203	E	93.8	Very high	80.5	Confident	55 Å²	55	65.2 Å²	65.2	26%	0.257	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	128	-179.9	-178.6	179.6	-173.2	0	0	110.7	R205 T226 L262	E203-R205 HydrophobicContact CG-CG 3.86Å; E203-R205 WeakPolarHBondContact OE1-CG 3.49Å; E203-R205 IonicContact OE1-CZ 3.84Å; E203-R205 IonicContact OE1-NE 2.78Å; E203-R205 PolarHBondContact OE1-NE 3.24Å; E203-R205 IonicContact OE1-NH2 3.81Å; E203-R205 PolarHBondContact OE1-NH2 2.87Å; E203-R205 IonicContact OE2-CZ 3.45Å; E203-R205 VanDerWaalsContact OE2-CZ 3.3Å; E203-R205 IonicContact OE2-NE 3.65Å; E203-R205 PolarHBondContact OE2-NE 3.33Å; E203-R205 IonicContact OE2-NH2 2.71Å; E203-R205 PolarHBondContact OE2-NH2 3.48Å; E203-T226 HydrophobicContact CB-CG2 4.22Å; E203-T226 HydrophobicContact CG-CG2 3.8Å; E203-L262 HydrophobicContact CB-CB 4.35Å; E203-L262 HydrophobicContact CB-CD1 4.28Å; E203-L262 HydrophobicContact CG-CD1 4.29Å; E203-L262 PolarHBondContact N-O 3.35Å; E203-L262 PolarHBondContact O-N 3.44Å
204	F	94.4	Very high	80.1	Confident	2 Å²	2	68 Å²	68	1%	0.009	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	124.5	166.2	-78.2	-119.5	0	0	0	107.2	L202 V207 S224 F225 L246 L249 I250 V261	L202-F204 HydrophobicContact CD1-CD2 4.49Å; L202-F204 HydrophobicContact CD1-CE2 4.05Å; L202-F204 HydrophobicContact CD2-CE2 4.21Å; L202-F204 HydrophobicContact CG-CD2 4.41Å; L202-F204 HydrophobicContact CG-CE2 4.2Å; F204-V207 HydrophobicContact CB-CG2 4.06Å; F204-V207 HydrophobicContact CD1-CB 4.06Å; F204-V207 HydrophobicContact CD1-CG1 4.22Å; F204-V207 HydrophobicContact CD1-CG2 3.81Å; F204-V207 HydrophobicContact CG-CG2 4.29Å; F204-S224 VanDerWaalsContact O-CA 3.26Å; F204-S224 WeakPolarHBondContact O-CA 3.35Å; F204-F225 HydrophobicContact CB-CD1 3.91Å; F204-F225 HydrophobicContact CB-CE1 3.76Å; F204-F225 HydrophobicContact CB-CZ 4.37Å; F204-F225 AromaticContact CD1-CE1 3.86Å; F204-F225 HydrophobicContact CD1-CE1 3.86Å; F204-F225 HydrophobicContact CD1-CZ 4.34Å; F204-F225 HydrophobicContact CD2-CD1 4.33Å; F204-F225 AromaticContact CD2-CE1 3.48Å; F204-F225 HydrophobicContact CD2-CE1 3.48Å; F204-F225 VanDerWaalsContact CD2-CE1 3.48Å; F204-F225 AromaticContact CD2-CE2 3.97Å; F204-F225 HydrophobicContact CD2-CE2 3.97Å; F204-F225 AromaticContact CD2-CZ 3.26Å; F204-F225 HydrophobicContact CD2-CZ 3.26Å; F204-F225 HydrophobicContact CE1-CE1 4.34Å; F204-F225 AromaticContact CE2-CE1 4Å; F204-F225 HydrophobicContact CE2-CE1 4Å; F204-F225 HydrophobicContact CE2-CE2 4.31Å; F204-F225 AromaticContact CE2-CZ 3.48Å; F204-F225 HydrophobicContact CE2-CZ 3.48Å; F204-F225 VanDerWaalsContact CE2-CZ 3.48Å; F204-F225 HydrophobicContact CG-CD1 4.1Å; F204-F225 AromaticContact CG-CE1 3.42Å; F204-F225 HydrophobicContact CG-CE1 3.42Å; F204-F225 VanDerWaalsContact CG-CE1 3.42Å; F204-F225 AromaticContact CG-CZ 3.75Å; F204-F225 HydrophobicContact CG-CZ 3.75Å; F204-F225 HydrophobicContact CZ-CE1 4.4Å; F204-F225 HydrophobicContact CZ-CZ 4.12Å; F204-F225 PolarHBondContact N-O 3.2Å; F204-F225 PolarHBondContact O-N 3.4Å; F204-L246 HydrophobicContact CD1-CG 4.46Å; F204-L246 HydrophobicContact CE1-CD2 3.81Å; F204-L246 HydrophobicContact CE1-CG 3.8Å; F204-L246 HydrophobicContact CZ-CD2 3.85Å; F204-L246 HydrophobicContact CZ-CG 4.31Å; F204-L249 HydrophobicContact CE1-CD1 4.4Å; F204-I250 HydrophobicContact CE2-CD1 4.02Å; F204-I250 HydrophobicContact CE2-CG1 4.01Å; F204-I250 HydrophobicContact CZ-CD1 4Å; F204-I250 HydrophobicContact CZ-CG1 3.72Å; F204-V261 HydrophobicContact CD1-CG2 3.71Å; F204-V261 HydrophobicContact CD2-CG1 4.28Å; F204-V261 HydrophobicContact CD2-CG2 4.47Å; F204-V261 HydrophobicContact CE1-CG1 4.48Å; F204-V261 HydrophobicContact CE1-CG2 3.58Å; F204-V261 HydrophobicContact CE2-CG1 3.9Å; F204-V261 HydrophobicContact CE2-CG2 4.37Å; F204-V261 HydrophobicContact CG-CG2 4.16Å; F204-V261 HydrophobicContact CZ-CG1 4Å; F204-V261 HydrophobicContact CZ-CG2 3.93Å
205	R	93.3	Very high	79.5	Confident	105 Å²	105	68.6 Å²	68.6	40%	0.396	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	106.3	175.6	-67.2	-171.9	-177.7	154.5	9.9	110.7	E203 V207 G259 Q260 L262	E203-R205 HydrophobicContact CG-CG 3.86Å; E203-R205 WeakPolarHBondContact OE1-CG 3.49Å; E203-R205 IonicContact OE1-CZ 3.84Å; E203-R205 IonicContact OE1-NE 2.78Å; E203-R205 PolarHBondContact OE1-NE 3.24Å; E203-R205 IonicContact OE1-NH2 3.81Å; E203-R205 PolarHBondContact OE1-NH2 2.87Å; E203-R205 IonicContact OE2-CZ 3.45Å; E203-R205 VanDerWaalsContact OE2-CZ 3.3Å; E203-R205 IonicContact OE2-NE 3.65Å; E203-R205 PolarHBondContact OE2-NE 3.33Å; E203-R205 IonicContact OE2-NH2 2.71Å; E203-R205 PolarHBondContact OE2-NH2 3.48Å; R205-V207 PolarHBondContact O-N 3.26Å; R205-G259 CarbonylContact O-C 3.55Å; R205-G259 WeakPolarHBondContact O-CA 3.5Å; R205-Q260 HydrophobicContact CB-CB 4.48Å; R205-Q260 PolarHBondContact N-O 3.43Å; R205-Q260 PolarHBondContact O-N 2.99Å; R205-L262 HydrophobicContact CB-CD1 4.33Å; R205-L262 HydrophobicContact CG-CD1 3.72Å
206	N	94	Very high	78.9	Confident	95 Å²	95	70.8 Å²	70.8	51%	0.508	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	49.4	45	172.1	-57.4	-27.2	0	0	0	111.9	T208 N222 V223 S224 G259	N206-T208 PolarHBondContact O-N 3.21Å; N206-N222 VanDerWaalsContact CA-OD1 3.31Å; N206-N222 WeakPolarHBondContact CA-OD1 3.48Å; N206-N222 WeakPolarHBondContact CB-OD1 3.5Å; N206-N222 PolarHBondContact OD1-OD1 3.08Å; N206-V223 PolarHBondContact N-O 2.87Å; N206-S224 WeakPolarHBondContact CA-OG 3.33Å; N206-S224 PolarHBondContact N-OG 3.19Å; N206-S224 PolarHBondContact OD1-OG 2.73Å; N206-G259 WeakPolarHBondContact O-CA 3.28Å
207	V	93.1	Very high	79.2	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	122.5	-169.7	172.3	0	0	0	0	110.4	F204 R205 R221 N222 V223 L249 V256 E258 Q260 V261	F204-V207 HydrophobicContact CB-CG2 4.06Å; F204-V207 HydrophobicContact CD1-CB 4.06Å; F204-V207 HydrophobicContact CD1-CG1 4.22Å; F204-V207 HydrophobicContact CD1-CG2 3.81Å; F204-V207 HydrophobicContact CG-CG2 4.29Å; R205-V207 PolarHBondContact O-N 3.26Å; V207-R221 CarbonylContact O-C 3.59Å; V207-N222 WeakPolarHBondContact O-CA 3.33Å; V207-N222 PolarHBondContact O-N 3.43Å; V207-V223 PolarHBondContact N-O 3.12Å; V207-V223 PolarHBondContact O-N 3.23Å; V207-L249 HydrophobicContact CG1-CD1 3.91Å; V207-V256 HydrophobicContact CG1-CB 4.37Å; V207-V256 HydrophobicContact CG1-CG1 3.71Å; V207-E258 WeakPolarHBondContact CA-O 3.34Å; V207-Q260 VanDerWaalsContact CG2-O 3.27Å; V207-Q260 WeakPolarHBondContact CG2-O 3.45Å; V207-V261 HydrophobicContact CG1-CG2 4.44Å; V207-V261 HydrophobicContact CG2-CG2 3.85Å
208	T	91.6	Very high	79.9	Confident	21 Å²	21	66.9 Å²	66.9	13%	0.129	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	137.7	170.7	-59.9	0	0	0	0	108.4	N206 P218 I220 N222 T257 E258	N206-T208 PolarHBondContact O-N 3.21Å; T208-P218 HydrophobicContact CG2-CB 3.74Å; T208-P218 HydrophobicContact CG2-CG 4.22Å; T208-I220 CarbonylContact C-O 3.57Å; T208-I220 VanDerWaalsContact CA-O 3.26Å; T208-I220 WeakPolarHBondContact CA-O 3.42Å; T208-I220 WeakPolarHBondContact CG2-O 3.2Å; T208-N222 PolarHBondContact OG1-N 3.13Å; T208-T257 WeakPolarHBondContact O-CA 3.28Å; T208-T257 WeakPolarHBondContact O-CB 3.27Å; T208-T257 PolarHBondContact O-N 2.8Å; T208-E258 PolarHBondContact N-O 3.42Å; T208-E258 PolarHBondContact O-N 3.12Å
209	F	89.9	Confident	80.6	Confident	6 Å²	6	62.4 Å²	62.4	3%	0.026	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	137.6	179.6	175.3	-99.6	0	0	0	112.5	Y211 P218 V219 I220 T245 L249 Y254 D255 T257	F209-Y211 AromaticContact CE1-CD1 3.8Å; F209-Y211 HydrophobicContact CE1-CD1 3.8Å; F209-Y211 HydrophobicContact CE1-CD2 4.13Å; F209-Y211 AromaticContact CE1-CE1 3.88Å; F209-Y211 HydrophobicContact CE1-CE1 3.88Å; F209-Y211 HydrophobicContact CE1-CE2 4.2Å; F209-Y211 AromaticContact CE1-CG 3.93Å; F209-Y211 HydrophobicContact CE1-CG 3.93Å; F209-Y211 AromaticContact CZ-CD1 3.87Å; F209-Y211 HydrophobicContact CZ-CD1 3.87Å; F209-Y211 HydrophobicContact CZ-CE1 4.17Å; F209-Y211 HydrophobicContact CZ-CG 4.25Å; F209-P218 CarbonylContact O-C 3.49Å; F209-P218 WeakPolarHBondContact O-CA 3.44Å; F209-V219 PolarHBondContact O-N 3.34Å; F209-I220 HydrophobicContact CB-CB 4.23Å; F209-I220 PolarHBondContact N-O 3.23Å; F209-I220 PolarHBondContact O-N 3.18Å; F209-T245 HydrophobicContact CD1-CG2 3.36Å; F209-T245 HydrophobicContact CE1-CG2 3.48Å; F209-T245 VanDerWaalsContact CE1-CG2 3.48Å; F209-T245 HydrophobicContact CG-CG2 4.5Å; F209-L249 HydrophobicContact CB-CD1 4.32Å; F209-L249 HydrophobicContact CB-CD2 4.38Å; F209-L249 HydrophobicContact CD1-CD2 4.49Å; F209-L249 HydrophobicContact CD2-CD2 3.86Å; F209-L249 HydrophobicContact CE2-CD2 4.31Å; F209-L249 HydrophobicContact CG-CD2 3.96Å; F209-Y254 HydrophobicContact CE1-CG 4.48Å; F209-Y254 HydrophobicContact CE2-CD1 4.49Å; F209-Y254 HydrophobicContact CE2-CG 4.25Å; F209-Y254 AromaticContact CZ-CD1 3.88Å; F209-Y254 HydrophobicContact CZ-CD1 3.88Å; F209-Y254 HydrophobicContact CZ-CD2 4.49Å; F209-Y254 AromaticContact CZ-CG 3.69Å; F209-Y254 HydrophobicContact CZ-CG 3.69Å; F209-D255 VanDerWaalsContact CD2-O 3.25Å; F209-D255 WeakPolarHBondContact CD2-O 3.37Å; F209-D255 VanDerWaalsContact CE2-O 3.3Å; F209-D255 WeakPolarHBondContact CE2-O 3.3Å; F209-T257 WeakPolarHBondContact CA-OG1 3.21Å
210	A	84.8	Confident	81.1	Confident	24 Å²	24	52.4 Å²	52.4	20%	0.198	30%	0.297	C	S	.	.			trans	-127.4	138.7	169.9	0	0	0	0	0	110.2	P218 T257	A210-P218 HydrophobicContact CB-CB 4.37Å; A210-T257 PolarHBondContact N-OG1 3.2Å; A210-T257 VanDerWaalsContact N-OG1 3.1Å
211	Y	83.6	Confident	81.5	Confident	59 Å²	59	55.6 Å²	55.6	23%	0.231	31%	0.307	C	S	.	.			trans	-68.6	130	167.8	-69.9	-75.8	0	0	0	109.3	F209 G213 V219 T245 Y254	F209-Y211 AromaticContact CE1-CD1 3.8Å; F209-Y211 HydrophobicContact CE1-CD1 3.8Å; F209-Y211 HydrophobicContact CE1-CD2 4.13Å; F209-Y211 AromaticContact CE1-CE1 3.88Å; F209-Y211 HydrophobicContact CE1-CE1 3.88Å; F209-Y211 HydrophobicContact CE1-CE2 4.2Å; F209-Y211 AromaticContact CE1-CG 3.93Å; F209-Y211 HydrophobicContact CE1-CG 3.93Å; F209-Y211 AromaticContact CZ-CD1 3.87Å; F209-Y211 HydrophobicContact CZ-CD1 3.87Å; F209-Y211 HydrophobicContact CZ-CE1 4.17Å; F209-Y211 HydrophobicContact CZ-CG 4.25Å; Y211-G213 PolarHBondContact O-N 3.24Å; Y211-V219 HydrophobicContact CD2-CB 4.48Å; Y211-V219 HydrophobicContact CD2-CG2 3.83Å; Y211-V219 HydrophobicContact CE2-CG1 4.25Å; Y211-V219 HydrophobicContact CE2-CG2 4.21Å; Y211-T245 HydrophobicContact CE2-CG2 3.99Å; Y211-T245 WeakPolarHBondContact OH-CG2 3.46Å; Y211-T245 PolarHBondContact OH-OG1 2.91Å; Y211-Y254 HydrophobicContact CD1-CD1 4.2Å; Y211-Y254 AromaticContact CD1-CE1 3.87Å; Y211-Y254 HydrophobicContact CD1-CE1 3.87Å; Y211-Y254 HydrophobicContact CD1-CE2 4.49Å; Y211-Y254 HydrophobicContact CE1-CD1 4.21Å; Y211-Y254 HydrophobicContact CE1-CD2 4.02Å; Y211-Y254 AromaticContact CE1-CE1 3.84Å; Y211-Y254 HydrophobicContact CE1-CE1 3.84Å; Y211-Y254 AromaticContact CE1-CE2 3.65Å; Y211-Y254 HydrophobicContact CE1-CE2 3.65Å; Y211-Y254 HydrophobicContact CE1-CG 4.31Å; Y211-Y254 AromaticContact CE1-CZ 3.55Å
212	P	70.4	Confident	81.5	Confident	69 Å²	69	59.9 Å²	59.9	45%	0.448	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	135.6	-173	24.8	-32.9	0	0	0	112.4	I185 H214	I185-P212 HydrophobicContact CD1-CG 3.8Å; P212-H214 PolarHBondContact O-N 2.93Å; P212-H214 PolarHBondContact O-ND1 3.23Å
213	G	65.3	Low	81.4	Confident	90 Å²	90	59.8 Å²	59.8	93%	0.928	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	-18.4	172.7	0	0	0	0	0	117	Y211	Y211-G213 PolarHBondContact O-N 3.24Å
214	H	51.4	Low	81.3	Confident	171 Å²	171	59.7 Å²	59.7	79%	0.792	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-31.3	-174.6	-69.7	65.4	0	0	0	113.3	P212	P212-H214 PolarHBondContact O-N 2.93Å; P212-H214 PolarHBondContact O-ND1 3.23Å
215	S	51.2	Low	81.2	Confident	44 Å²	44	60.3 Å²	60.3	31%	0.308	34%	0.337	S	S	.	.			trans	-164.3	121.5	-174.7	53	0	0	0	0	109.4	S217	S215-S217 PolarHBondContact O-N 3.33Å
216	E	55.8	Low	81.2	Confident	206 Å²	206	58.5 Å²	58.5	96%	0.963	34%	0.337	S	S	*	.	S	Bend	trans	-67.8	-17.6	176.2	-74.8	-172.1	162.4	0	0	113.1	P218	E216-P218 WeakPolarHBondContact O-CD 3.16Å
217	S	73.2	Confident	81.1	Confident	67 Å²	67	54 Å²	54	47%	0.469	31%	0.313	S	S	.	.	S	Bend	trans	-72.9	123.1	172.8	55.9	0	0	0	0	110.9	S215 V219	S215-S217 PolarHBondContact O-N 3.33Å; S217-V219 PolarHBondContact O-N 3.45Å
218	P	81.7	Confident	81	Confident	38 Å²	38	60.2 Å²	60.2	25%	0.247	34%	0.341	C	S	.	.			trans	-63.1	135.2	173.4	22.9	-31.3	0	0	0	111.5	T208 F209 A210 E216 R221	T208-P218 HydrophobicContact CG2-CB 3.74Å; T208-P218 HydrophobicContact CG2-CG 4.22Å; F209-P218 CarbonylContact O-C 3.49Å; F209-P218 WeakPolarHBondContact O-CA 3.44Å; A210-P218 HydrophobicContact CB-CB 4.37Å; E216-P218 WeakPolarHBondContact O-CD 3.16Å; P218-R221 HydrophobicContact CB-CG 4.25Å; P218-R221 HydrophobicContact CG-CG 3.89Å; P218-R221 PolarHBondContact O-NH2 3.5Å
219	V	85.1	Confident	80.8	Confident	26 Å²	26	61.5 Å²	61.5	16%	0.158	35%	0.353	C	S	.	.	S	Bend	trans	-80.8	-21	178.6	175.1	0	0	0	0	112	F209 Y211 S217 T245 G414	F209-V219 PolarHBondContact O-N 3.34Å; Y211-V219 HydrophobicContact CD2-CB 4.48Å; Y211-V219 HydrophobicContact CD2-CG2 3.83Å; Y211-V219 HydrophobicContact CE2-CG1 4.25Å; Y211-V219 HydrophobicContact CE2-CG2 4.21Å; S217-V219 PolarHBondContact O-N 3.45Å; V219-T245 HydrophobicContact CG1-CG2 4.25Å; V219-G414 WeakPolarHBondContact O-CA 3.04Å
220	I	87.5	Confident	80.6	Confident	0 Å²	0	63 Å²	63	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	133.8	170.8	-64.2	-63.7	0	0	0	107.5	T208 F209 V223 T245 L246 L411 G414	T208-I220 CarbonylContact C-O 3.57Å; T208-I220 VanDerWaalsContact CA-O 3.26Å; T208-I220 WeakPolarHBondContact CA-O 3.42Å; T208-I220 WeakPolarHBondContact CG2-O 3.2Å; F209-I220 HydrophobicContact CB-CB 4.23Å; F209-I220 PolarHBondContact N-O 3.23Å; F209-I220 PolarHBondContact O-N 3.18Å; I220-V223 HydrophobicContact CG2-CB 4.1Å; I220-V223 HydrophobicContact CG2-CG2 3.5Å; I220-T245 HydrophobicContact CG1-CG2 4.36Å; I220-L246 HydrophobicContact CD1-CB 4.06Å; I220-L246 HydrophobicContact CD1-CD1 4.12Å; I220-L246 HydrophobicContact CG1-CB 4.45Å; I220-L246 HydrophobicContact CG2-CD1 4.38Å; I220-L411 HydrophobicContact CD1-CD2 4.42Å; I220-G414 CarbonylContact C-O 3.59Å; I220-G414 WeakPolarHBondContact CA-O 3.39Å
221	R	89	Confident	80.9	Confident	73 Å²	73	64.3 Å²	64.3	28%	0.275	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	121.1	-176.7	-61.8	-172.3	-168.4	88.2	18.3	111.8	V207 P218 V223 E413 G414 D415	V207-R221 CarbonylContact O-C 3.59Å; P218-R221 HydrophobicContact CB-CG 4.25Å; P218-R221 HydrophobicContact CG-CG 3.89Å; P218-R221 PolarHBondContact O-NH2 3.5Å; R221-V223 VanDerWaalsContact C-N 3.27Å; R221-V223 WeakPolarHBondContact O-CG2 3.23Å; R221-V223 PolarHBondContact O-N 3.36Å; R221-V223 VanDerWaalsContact O-N 3.08Å; R221-E413 PolarHBondContact NH1-O 3.28Å; R221-E413 PolarHBondContact NH2-O 3.11Å; R221-G414 PolarHBondContact N-O 3.23Å; R221-D415 WeakPolarHBondContact CB-OD1 3.15Å; R221-D415 IonicContact CZ-OD2 2.73Å; R221-D415 IonicContact NH1-OD2 3.98Å; R221-D415 PolarHBondContact NH1-OD2 2.89Å
222	N	89.4	Confident	81.3	Confident	105 Å²	105	62.5 Å²	62.5	56%	0.561	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	43.1	45.5	169.4	-166.7	26.6	0	0	0	115.3	N206 V207 T208	N206-N222 VanDerWaalsContact CA-OD1 3.31Å; N206-N222 WeakPolarHBondContact CA-OD1 3.48Å; N206-N222 WeakPolarHBondContact CB-OD1 3.5Å; N206-N222 PolarHBondContact OD1-OD1 3.08Å; V207-N222 WeakPolarHBondContact O-CA 3.33Å; V207-N222 PolarHBondContact O-N 3.43Å; T208-N222 PolarHBondContact OG1-N 3.13Å
223	V	90.4	Very high	82.4	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	127.8	-175.8	177.3	0	0	0	0	111.3	N206 V207 I220 R221 F225 L246 V416	N206-V223 PolarHBondContact N-O 2.87Å; V207-V223 PolarHBondContact N-O 3.12Å; V207-V223 PolarHBondContact O-N 3.23Å; I220-V223 HydrophobicContact CG2-CB 4.1Å; I220-V223 HydrophobicContact CG2-CG2 3.5Å; R221-V223 VanDerWaalsContact C-N 3.27Å; R221-V223 WeakPolarHBondContact O-CG2 3.23Å; R221-V223 PolarHBondContact O-N 3.36Å; R221-V223 VanDerWaalsContact O-N 3.08Å; V223-F225 HydrophobicContact CG1-CD1 3.85Å; V223-F225 HydrophobicContact CG1-CE1 4.07Å; V223-L246 HydrophobicContact CB-CD1 4.41Å; V223-L246 HydrophobicContact CG1-CD1 3.89Å; V223-L246 HydrophobicContact CG2-CD1 4.42Å; V223-V416 HydrophobicContact CB-CG2 4.22Å; V223-V416 HydrophobicContact CG1-CG2 3.68Å; V223-V416 HydrophobicContact CG2-CG2 3.67Å
224	S	91.9	Very high	83.6	Confident	53 Å²	53	55 Å²	55	37%	0.371	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	121.6	177.6	-71.9	0	0	0	0	111.7	F204 N206	F204-S224 VanDerWaalsContact O-CA 3.26Å; F204-S224 WeakPolarHBondContact O-CA 3.35Å; N206-S224 WeakPolarHBondContact CA-OG 3.33Å; N206-S224 PolarHBondContact N-OG 3.19Å; N206-S224 PolarHBondContact OD1-OG 2.73Å
225	F	92.4	Very high	85.6	Confident	15 Å²	15	46.9 Å²	46.9	7%	0.066	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	163.5	170.7	68.9	-84.5	0	0	0	110.9	F204 V223 V233 F235 L246 I419	F204-F225 HydrophobicContact CB-CD1 3.91Å; F204-F225 HydrophobicContact CB-CE1 3.76Å; F204-F225 HydrophobicContact CB-CZ 4.37Å; F204-F225 AromaticContact CD1-CE1 3.86Å; F204-F225 HydrophobicContact CD1-CE1 3.86Å; F204-F225 HydrophobicContact CD1-CZ 4.34Å; F204-F225 HydrophobicContact CD2-CD1 4.33Å; F204-F225 AromaticContact CD2-CE1 3.48Å; F204-F225 HydrophobicContact CD2-CE1 3.48Å; F204-F225 VanDerWaalsContact CD2-CE1 3.48Å; F204-F225 AromaticContact CD2-CE2 3.97Å; F204-F225 HydrophobicContact CD2-CE2 3.97Å; F204-F225 AromaticContact CD2-CZ 3.26Å; F204-F225 HydrophobicContact CD2-CZ 3.26Å; F204-F225 HydrophobicContact CE1-CE1 4.34Å; F204-F225 AromaticContact CE2-CE1 4Å; F204-F225 HydrophobicContact CE2-CE1 4Å; F204-F225 HydrophobicContact CE2-CE2 4.31Å; F204-F225 AromaticContact CE2-CZ 3.48Å; F204-F225 HydrophobicContact CE2-CZ 3.48Å; F204-F225 VanDerWaalsContact CE2-CZ 3.48Å; F204-F225 HydrophobicContact CG-CD1 4.1Å; F204-F225 AromaticContact CG-CE1 3.42Å; F204-F225 HydrophobicContact CG-CE1 3.42Å; F204-F225 VanDerWaalsContact CG-CE1 3.42Å; F204-F225 AromaticContact CG-CZ 3.75Å; F204-F225 HydrophobicContact CG-CZ 3.75Å; F204-F225 HydrophobicContact CZ-CE1 4.4Å; F204-F225 HydrophobicContact CZ-CZ 4.12Å; F204-F225 PolarHBondContact N-O 3.2Å; F204-F225 PolarHBondContact O-N 3.4Å; V223-F225 HydrophobicContact CG1-CD1 3.85Å; V223-F225 HydrophobicContact CG1-CE1 4.07Å; F225-V233 HydrophobicContact CD2-CG1 4.31Å; F225-V233 HydrophobicContact CE2-CG1 4.24Å; F225-F235 HydrophobicContact CE1-CE1 4.02Å; F225-F235 HydrophobicContact CE1-CZ 4.24Å; F225-F235 HydrophobicContact CE2-CE1 4.38Å; F225-F235 AromaticContact CE2-CZ 3.93Å; F225-F235 HydrophobicContact CE2-CZ 3.93Å; F225-F235 AromaticContact CZ-CE1 3.8Å; F225-F235 HydrophobicContact CZ-CE1 3.8Å; F225-F235 AromaticContact CZ-CZ 3.55Å; F225-F235 HydrophobicContact CZ-CZ 3.55Å; F225-L246 HydrophobicContact CE1-CD2 4.02Å; F225-L246 HydrophobicContact CZ-CD2 4.09Å; F225-I419 HydrophobicContact CB-CD1 4.04Å
226	T	92.6	Very high	87.3	Confident	66 Å²	66	44.8 Å²	44.8	41%	0.405	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	145.4	176.5	52.6	0	0	0	0	110.7	L202 E203 K407	L202-T226 CarbonylContact O-C 3.58Å; L202-T226 WeakPolarHBondContact O-CA 3.3Å; E203-T226 HydrophobicContact CB-CG2 4.22Å; E203-T226 HydrophobicContact CG-CG2 3.8Å; T226-K407 PolarHBondContact O-NZ 3.45Å
227	A	92.1	Very high	88.6	Confident	1 Å²	1	35 Å²	35	1%	0.008	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	140.5	170	0	0	0	0	0	110.1	L202 E231 V233 V391	L202-A227 HydrophobicContact CB-CB 4.28Å; L202-A227 HydrophobicContact CD2-CB 4.45Å; L202-A227 PolarHBondContact N-O 3.37Å; L202-A227 PolarHBondContact O-N 3.35Å; A227-E231 VanDerWaalsContact CA-OE2 3.3Å; A227-E231 WeakPolarHBondContact CA-OE2 3.38Å; A227-V233 HydrophobicContact CB-CG2 3.59Å; A227-V391 HydrophobicContact CB-CG1 3.65Å
228	K	91.5	Very high	88.7	Confident	131 Å²	131	33.1 Å²	33.1	57%	0.57	19%	0.191	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	160.5	177.7	-63.8	-177.3	177.6	-176.9	0	111.2	G200 G230 E231	G200-K228 CarbonylContact O-C 3.2Å; K228-G230 PolarHBondContact O-N 3.04Å; K228-E231 HydrophobicContact CB-CG 4.23Å; K228-E231 PolarHBondContact N-OE2 2.83Å; K228-E231 VanDerWaalsContact O-CB 3.31Å; K228-E231 WeakPolarHBondContact O-CB 3.44Å; K228-E231 PolarHBondContact O-N 3.22Å
229	A	88.6	Confident	88.1	Confident	47 Å²	47	32.9 Å²	32.9	39%	0.388	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	127	173.1	0	0	0	0	0	111.2	G200 E389	G200-A229 PolarHBondContact O-N 3.37Å; A229-E389 WeakPolarHBondContact CB-O 3.41Å
230	G	85.1	Confident	87.6	Confident	38 Å²	38	34.1 Å²	34.1	39%	0.392	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.5	-14.2	-174.4	0	0	0	0	0	115.4	K228 T388 S390	K228-G230 PolarHBondContact O-N 3.04Å; G230-T388 WeakPolarHBondContact CA-O 3.45Å; G230-T388 PolarHBondContact N-O 3.47Å; G230-S390 PolarHBondContact N-O 3.05Å
231	E	90.8	Very high	87.4	Confident	51 Å²	51	34.1 Å²	34.1	24%	0.238	21%	0.207	C	C	.	.			trans	-82	134.4	173.9	-62.6	-174.9	161.3	0	0	111.4	A227 K228 V392 K407	A227-E231 VanDerWaalsContact CA-OE2 3.3Å; A227-E231 WeakPolarHBondContact CA-OE2 3.38Å; K228-E231 HydrophobicContact CB-CG 4.23Å; K228-E231 PolarHBondContact N-OE2 2.83Å; K228-E231 VanDerWaalsContact O-CB 3.31Å; K228-E231 WeakPolarHBondContact O-CB 3.44Å; K228-E231 PolarHBondContact O-N 3.22Å; E231-V392 PolarHBondContact O-N 2.82Å; E231-V392 VanDerWaalsContact O-N 3.12Å; E231-K407 IonicContact OE1-NZ 2.66Å; E231-K407 PolarHBondContact OE1-NZ 2.89Å; E231-K407 IonicContact OE2-NZ 3.52Å; E231-K407 PolarHBondContact OE2-NZ 2.7Å
232	T	91.3	Very high	87.2	Confident	22 Å²	22	30.6 Å²	30.6	14%	0.135	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	114.2	168.9	-55.7	0	0	0	0	109.9	V392 I394 A405 D406 K407	T232-V392 CarbonylContact C-O 3.56Å; T232-V392 WeakPolarHBondContact CA-O 3.32Å; T232-V392 HydrophobicContact CG2-CB 4.38Å; T232-V392 HydrophobicContact CG2-CG1 4.1Å; T232-I394 HydrophobicContact CG2-CD1 3.78Å; T232-I394 HydrophobicContact CG2-CG1 4.24Å; T232-A405 HydrophobicContact CG2-CB 3.97Å; T232-D406 WeakPolarHBondContact CB-OD2 3.44Å; T232-D406 PolarHBondContact N-OD2 3.05Å; T232-D406 PolarHBondContact O-N 3.17Å; T232-K407 PolarHBondContact O-N 3.35Å
233	V	93.4	Very high	87.1	Confident	1 Å²	1	25.7 Å²	25.7	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	122.9	174.7	-175.7	0	0	0	0	110	F225 A227 F235 V392 L393 I394 K407 V409	F225-V233 HydrophobicContact CD2-CG1 4.31Å; F225-V233 HydrophobicContact CE2-CG1 4.24Å; A227-V233 HydrophobicContact CB-CG2 3.59Å; V233-F235 HydrophobicContact CG1-CE1 4.45Å; V233-F235 HydrophobicContact CG1-CE2 4.31Å; V233-F235 HydrophobicContact CG1-CZ 3.95Å; V233-V392 PolarHBondContact N-O 2.79Å; V233-L393 HydrophobicContact CB-CD2 3.82Å; V233-L393 HydrophobicContact CG2-CD2 4.49Å; V233-L393 CarbonylContact O-C 3.46Å; V233-L393 VanDerWaalsContact O-CA 3.25Å; V233-L393 WeakPolarHBondContact O-CA 3.48Å; V233-I394 PolarHBondContact O-N 3.13Å; V233-K407 CarbonylContact C-O 3.55Å; V233-K407 VanDerWaalsContact CA-O 3.28Å; V233-K407 WeakPolarHBondContact CA-O 3.4Å; V233-K407 HydrophobicContact CG1-CB 4.31Å; V233-K407 HydrophobicContact CG2-CB 4.26Å; V233-K407 HydrophobicContact CG2-CD 4.28Å; V233-V409 HydrophobicContact CG1-CG2 3.99Å
234	A	91.9	Very high	86.9	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	154.7	-179.8	0	0	0	0	0	113.3	I394 I402 A405 K407 I408 V409	A234-I394 CarbonylContact C-O 3.6Å; A234-I394 WeakPolarHBondContact CA-O 3.16Å; A234-I402 HydrophobicContact CB-CB 3.52Å; A234-I402 HydrophobicContact CB-CD1 4.32Å; A234-I402 HydrophobicContact CB-CG2 3.45Å; A234-I402 VanDerWaalsContact CB-CG2 3.45Å; A234-A405 HydrophobicContact CB-CB 3.52Å; A234-K407 PolarHBondContact N-O 3.36Å; A234-I408 HydrophobicContact CB-CB 4.49Å; A234-I408 HydrophobicContact CB-CG1 4.03Å; A234-I408 CarbonylContact O-C 3.49Å; A234-I408 WeakPolarHBondContact O-CA 3.43Å; A234-V409 PolarHBondContact O-N 3.45Å
235	F	92.1	Very high	86.7	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	130.2	176.7	-54.4	-86.8	0	0	0	111.1	F225 V233 K243 L246 I247 L393 I394 V395 A396 V409 L411	F225-F235 HydrophobicContact CE1-CE1 4.02Å; F225-F235 HydrophobicContact CE1-CZ 4.24Å; F225-F235 HydrophobicContact CE2-CE1 4.38Å; F225-F235 AromaticContact CE2-CZ 3.93Å; F225-F235 HydrophobicContact CE2-CZ 3.93Å; F225-F235 AromaticContact CZ-CE1 3.8Å; F225-F235 HydrophobicContact CZ-CE1 3.8Å; F225-F235 AromaticContact CZ-CZ 3.55Å; F225-F235 HydrophobicContact CZ-CZ 3.55Å; V233-F235 HydrophobicContact CG1-CE1 4.45Å; V233-F235 HydrophobicContact CG1-CE2 4.31Å; V233-F235 HydrophobicContact CG1-CZ 3.95Å; F235-K243 HydrophobicContact CB-CB 4.47Å; F235-L246 HydrophobicContact CD1-CD2 4.06Å; F235-L246 HydrophobicContact CE1-CD2 3.48Å; F235-L246 VanDerWaalsContact CE1-CD2 3.48Å; F235-L246 HydrophobicContact CZ-CD2 3.74Å; F235-I247 HydrophobicContact CD2-CG2 4.07Å; F235-I247 HydrophobicContact CE2-CG2 3.94Å; F235-L393 HydrophobicContact CE2-CB 4.2Å; F235-L393 HydrophobicContact CE2-CD1 4.49Å; F235-L393 HydrophobicContact CE2-CD2 4.1Å; F235-L393 HydrophobicContact CE2-CG 4.49Å; F235-L393 HydrophobicContact CZ-CD2 4.42Å; F235-I394 PolarHBondContact N-O 2.93Å; F235-V395 HydrophobicContact CB-CG2 4.12Å; F235-V395 HydrophobicContact CD2-CG2 4.05Å; F235-V395 HydrophobicContact CG-CG2 4.44Å; F235-V395 WeakPolarHBondContact O-CA 3.42Å; F235-A396 PolarHBondContact O-N 3.38Å; F235-V409 WeakPolarHBondContact CA-O 3.42Å; F235-V409 HydrophobicContact CD1-CB 3.67Å; F235-V409 HydrophobicContact CD1-CG1 4.03Å; F235-V409 HydrophobicContact CD1-CG2 4.24Å; F235-V409 HydrophobicContact CE1-CB 3.87Å; F235-V409 HydrophobicContact CE1-CG1 4.18Å; F235-V409 HydrophobicContact CE1-CG2 3.95Å; F235-L411 HydrophobicContact CD1-CD1 4.41Å
236	I	87.6	Confident	86.6	Confident	1 Å²	1	23.7 Å²	23.7	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	166.4	174.5	-164.3	156	0	0	0	111.1	A396 V399 I402 I408 V409 V410 L411 Y432	I236-A396 WeakPolarHBondContact CG1-O 3.23Å; I236-V399 HydrophobicContact CD1-CB 4.46Å; I236-V399 HydrophobicContact CD1-CG2 3.81Å; I236-I402 HydrophobicContact CB-CD1 3.59Å; I236-I402 HydrophobicContact CD1-CD1 3.77Å; I236-I402 HydrophobicContact CG1-CD1 4.28Å; I236-I402 HydrophobicContact CG2-CD1 3.7Å; I236-I408 HydrophobicContact CG2-CG2 4.07Å; I236-V409 PolarHBondContact N-O 3.17Å; I236-V410 HydrophobicContact CG2-CG2 4.16Å; I236-V410 WeakPolarHBondContact O-CA 3.18Å; I236-L411 PolarHBondContact O-N 2.77Å; I236-Y432 HydrophobicContact CD1-CD2 3.93Å; I236-Y432 HydrophobicContact CG1-CD2 4.06Å; I236-Y432 HydrophobicContact CG2-CD2 4.09Å; I236-Y432 HydrophobicContact CG2-CE2 4.27Å
237	G	83.4	Confident	86.5	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	128.3	178.5	-163.7	0	0	0	0	0	110.9	K243 L411 Y432	G237-K243 WeakPolarHBondContact O-CD 3.28Å; G237-K243 WeakPolarHBondContact O-CE 3.45Å; G237-K243 PolarHBondContact O-NZ 3.01Å; G237-L411 WeakPolarHBondContact CA-O 3.23Å; G237-Y432 CarbonylContact C-O 3.47Å; G237-Y432 VanDerWaalsContact CA-O 3.23Å; G237-Y432 WeakPolarHBondContact CA-O 2.96Å; G237-Y432 PolarHBondContact N-O 3.37Å; G237-Y432 VanDerWaalsContact O-O 3.09Å
238	S	74.1	Confident	86.4	Confident	27 Å²	27	22.3 Å²	22.3	19%	0.189	14%	0.144	C	C	.	.			trans	-56.1	151.2	175.7	169.2	0	0	0	0	112.1	G240 S241 K243 D434	S238-G240 PolarHBondContact OG-N 3.4Å; S238-S241 PolarHBondContact N-OG 2.68Å; S238-S241 VanDerWaalsContact O-CB 3.24Å; S238-S241 WeakPolarHBondContact O-CB 3.25Å; S238-S241 PolarHBondContact O-N 2.96Å; S238-S241 PolarHBondContact O-OG 2.85Å; S238-K243 PolarHBondContact O-NZ 2.81Å; S238-D434 CarbonylContact C-O 3.53Å; S238-D434 WeakPolarHBondContact CA-O 3.5Å; S238-D434 PolarHBondContact OG-O 2.89Å
239	T	69.1	Low	86.4	Confident	33 Å²	33	16.2 Å²	16.2	20%	0.202	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-25.8	169.4	-55.5	0	0	0	0	111.3	S241 K243 Q397 D434	T239-S241 VanDerWaalsContact C-N 3.33Å; T239-K243 PolarHBondContact OG1-NZ 3.36Å; T239-Q397 PolarHBondContact OG1-NE2 2.9Å; T239-D434 PolarHBondContact N-O 3.46Å
240	G	76.1	Confident	86.6	Confident	52 Å²	52	14 Å²	14	54%	0.536	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-17.1	161.4	0	0	0	0	0	114.7	S238 G242	S238-G240 PolarHBondContact OG-N 3.4Å; G240-G242 PolarHBondContact O-N 2.98Å; G240-G242 VanDerWaalsContact O-N 3.09Å
241	S	82.1	Confident	86.8	Confident	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-2.3	176.1	77.5	0	0	0	0	114.5	S238 T239 L411 G414	S238-S241 PolarHBondContact N-OG 2.68Å; S238-S241 VanDerWaalsContact O-CB 3.24Å; S238-S241 WeakPolarHBondContact O-CB 3.25Å; S238-S241 PolarHBondContact O-N 2.96Å; S238-S241 PolarHBondContact O-OG 2.85Å; T239-S241 VanDerWaalsContact C-N 3.33Å; S241-L411 WeakPolarHBondContact CB-O 3.5Å; S241-L411 WeakPolarHBondContact OG-CB 3.46Å; S241-L411 PolarHBondContact OG-O 2.79Å; S241-G414 PolarHBondContact O-N 3.42Å
242	G	84.8	Confident	86.8	Confident	0 Å²	0	10.3 Å²	10.3	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.2	13.1	176.2	0	0	0	0	0	116.1	G240 S244 T245 L246	G240-G242 PolarHBondContact O-N 2.98Å; G240-G242 VanDerWaalsContact O-N 3.09Å; G242-S244 PolarHBondContact O-N 3.49Å; G242-T245 CarbonylContact O-C 3.58Å; G242-T245 WeakPolarHBondContact O-CA 3.16Å; G242-T245 VanDerWaalsContact O-CB 3.24Å; G242-T245 WeakPolarHBondContact O-CB 3.46Å; G242-T245 PolarHBondContact O-N 2.87Å; G242-T245 VanDerWaalsContact O-N 3.1Å; G242-L246 WeakPolarHBondContact O-CB 3.5Å; G242-L246 PolarHBondContact O-N 3.11Å
243	K	87.5	Confident	86.6	Confident	1 Å²	1	11.8 Å²	11.8	0%	0.004	8%	0.076	C	C	.	.	H	α-helix	trans	-49.1	-56.7	177.3	-53.3	-177.2	-58.7	-69.8	0	112.9	F235 G237 S238 T239 T245 L246 I247 V395 L411	F235-K243 HydrophobicContact CB-CB 4.47Å; G237-K243 WeakPolarHBondContact O-CD 3.28Å; G237-K243 WeakPolarHBondContact O-CE 3.45Å; G237-K243 PolarHBondContact O-NZ 3.01Å; S238-K243 PolarHBondContact O-NZ 2.81Å; T239-K243 PolarHBondContact OG1-NZ 3.36Å; K243-T245 VanDerWaalsContact C-N 3.34Å; K243-L246 PolarHBondContact O-N 2.84Å; K243-I247 PolarHBondContact O-N 3.39Å; K243-V395 HydrophobicContact CB-CG1 3.64Å; K243-V395 HydrophobicContact CB-CG2 4.42Å; K243-V395 HydrophobicContact CD-CG1 3.84Å; K243-V395 HydrophobicContact CG-CG1 4.38Å; K243-L411 HydrophobicContact CB-CD1 4.35Å; K243-L411 HydrophobicContact CG-CD1 4.1Å
244	S	87.1	Confident	86.4	Confident	18 Å²	18	15.4 Å²	15.4	13%	0.126	9%	0.09	C	C	.	.	H	α-helix	trans	-68	-35.8	179.2	-54.1	0	0	0	0	110.7	G242 L246 I247 Q248 D365	G242-S244 PolarHBondContact O-N 3.49Å; S244-L246 VanDerWaalsContact C-N 3.33Å; S244-L246 PolarHBondContact O-N 2.86Å; S244-I247 VanDerWaalsContact O-CG1 3.24Å; S244-I247 WeakPolarHBondContact O-CG1 3.3Å; S244-Q248 VanDerWaalsContact O-CB 3.32Å; S244-Q248 WeakPolarHBondContact O-CB 3.49Å; S244-Q248 WeakPolarHBondContact O-CG 3.33Å; S244-Q248 PolarHBondContact O-N 3.27Å; S244-D365 PolarHBondContact OG-OD1 2.78Å
245	T	87.7	Confident	86.2	Confident	8 Å²	8	17.3 Å²	17.3	5%	0.049	10%	0.1	C	C	.	.	H	α-helix	trans	-54.6	-48.4	171.5	-47.9	0	0	0	0	111.6	F209 Y211 V219 I220 G242 K243 I247 Q248 L249	F209-T245 HydrophobicContact CD1-CG2 3.36Å; F209-T245 HydrophobicContact CE1-CG2 3.48Å; F209-T245 VanDerWaalsContact CE1-CG2 3.48Å; F209-T245 HydrophobicContact CG-CG2 4.5Å; Y211-T245 HydrophobicContact CE2-CG2 3.99Å; Y211-T245 WeakPolarHBondContact OH-CG2 3.46Å; Y211-T245 PolarHBondContact OH-OG1 2.91Å; V219-T245 HydrophobicContact CG1-CG2 4.25Å; I220-T245 HydrophobicContact CG1-CG2 4.36Å; G242-T245 CarbonylContact O-C 3.58Å; G242-T245 WeakPolarHBondContact O-CA 3.16Å; G242-T245 VanDerWaalsContact O-CB 3.24Å; G242-T245 WeakPolarHBondContact O-CB 3.46Å; G242-T245 PolarHBondContact O-N 2.87Å; G242-T245 VanDerWaalsContact O-N 3.1Å; K243-T245 VanDerWaalsContact C-N 3.34Å; T245-I247 PolarHBondContact O-N 3.1Å; T245-Q248 WeakPolarHBondContact O-CB 3.37Å; T245-Q248 PolarHBondContact O-N 3.37Å; T245-Q248 VanDerWaalsContact O-N 3.15Å; T245-L249 WeakPolarHBondContact O-CG 3.11Å; T245-L249 PolarHBondContact O-N 3.36Å
246	L	89.1	Confident	86.1	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-63.8	-43.1	-174.7	-173.1	146.5	0	0	0	112.4	F204 I220 V223 F225 F235 G242 K243 S244 L249 L411	F204-L246 HydrophobicContact CD1-CG 4.46Å; F204-L246 HydrophobicContact CE1-CD2 3.81Å; F204-L246 HydrophobicContact CE1-CG 3.8Å; F204-L246 HydrophobicContact CZ-CD2 3.85Å; F204-L246 HydrophobicContact CZ-CG 4.31Å; I220-L246 HydrophobicContact CD1-CB 4.06Å; I220-L246 HydrophobicContact CD1-CD1 4.12Å; I220-L246 HydrophobicContact CG1-CB 4.45Å; I220-L246 HydrophobicContact CG2-CD1 4.38Å; V223-L246 HydrophobicContact CB-CD1 4.41Å; V223-L246 HydrophobicContact CG1-CD1 3.89Å; V223-L246 HydrophobicContact CG2-CD1 4.42Å; F225-L246 HydrophobicContact CE1-CD2 4.02Å; F225-L246 HydrophobicContact CZ-CD2 4.09Å; F235-L246 HydrophobicContact CD1-CD2 4.06Å; F235-L246 HydrophobicContact CE1-CD2 3.48Å; F235-L246 VanDerWaalsContact CE1-CD2 3.48Å; F235-L246 HydrophobicContact CZ-CD2 3.74Å; G242-L246 WeakPolarHBondContact O-CB 3.5Å; G242-L246 PolarHBondContact O-N 3.11Å; K243-L246 PolarHBondContact O-N 2.84Å; S244-L246 VanDerWaalsContact C-N 3.33Å; S244-L246 PolarHBondContact O-N 2.86Å; L246-L249 PolarHBondContact O-N 3.2Å; L246-L411 HydrophobicContact CD1-CD1 4.29Å; L246-L411 HydrophobicContact CD1-CD2 4.34Å
247	I	90.7	Very high	86.1	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-73.7	-24.4	175.3	59.3	161.5	0	0	0	113.3	F235 K243 S244 T245 L249 I250 P251 Y282 I363 D365 L393 V395	F235-I247 HydrophobicContact CD2-CG2 4.07Å; F235-I247 HydrophobicContact CE2-CG2 3.94Å; K243-I247 PolarHBondContact O-N 3.39Å; S244-I247 VanDerWaalsContact O-CG1 3.24Å; S244-I247 WeakPolarHBondContact O-CG1 3.3Å; T245-I247 PolarHBondContact O-N 3.1Å; I247-L249 VanDerWaalsContact C-N 3.28Å; I247-L249 PolarHBondContact O-N 3.45Å; I247-I250 WeakPolarHBondContact O-CB 3.17Å; I247-I250 PolarHBondContact O-N 2.88Å; I247-P251 WeakPolarHBondContact O-CD 3.25Å; I247-Y282 HydrophobicContact CD1-CE2 3.99Å; I247-Y282 WeakPolarHBondContact CD1-OH 3.45Å; I247-Y282 HydrophobicContact CG1-CE2 4.47Å; I247-I363 HydrophobicContact CB-CG2 3.89Å; I247-I363 HydrophobicContact CD1-CG2 3.52Å; I247-I363 HydrophobicContact CG1-CG2 4.26Å; I247-I363 HydrophobicContact CG2-CG2 4.24Å; I247-D365 HydrophobicContact CD1-CB 3.49Å; I247-D365 VanDerWaalsContact CD1-CB 3.49Å; I247-D365 VanDerWaalsContact CD1-CG 3.49Å; I247-L393 HydrophobicContact CG2-CD1 4.46Å; I247-V395 HydrophobicContact CB-CG2 4.48Å; I247-V395 HydrophobicContact CD1-CB 4.5Å; I247-V395 HydrophobicContact CD1-CG2 3.52Å; I247-V395 HydrophobicContact CG1-CG2 3.96Å; I247-V395 HydrophobicContact CG2-CG2 3.73Å
248	Q	90.5	Very high	86.4	Confident	39 Å²	39	27.7 Å²	27.7	18%	0.182	16%	0.156	C	C	.	.	H	α-helix	trans	-73.7	-16.5	176.6	-74.9	173.8	10.7	0	0	113.6	S244 T245 I250 P251 F253 Y254	S244-Q248 VanDerWaalsContact O-CB 3.32Å; S244-Q248 WeakPolarHBondContact O-CB 3.49Å; S244-Q248 WeakPolarHBondContact O-CG 3.33Å; S244-Q248 PolarHBondContact O-N 3.27Å; T245-Q248 WeakPolarHBondContact O-CB 3.37Å; T245-Q248 PolarHBondContact O-N 3.37Å; T245-Q248 VanDerWaalsContact O-N 3.15Å; Q248-I250 VanDerWaalsContact C-N 3.29Å; Q248-P251 WeakPolarHBondContact O-CD 3.48Å; Q248-F253 HydrophobicContact CB-CB 4.26Å; Q248-F253 HydrophobicContact CB-CD2 4.17Å; Q248-F253 HydrophobicContact CG-CD2 3.88Å; Q248-F253 PolarHBondContact O-N 2.9Å; Q248-Y254 HydrophobicContact CB-CD2 4.45Å
249	L	91.7	Very high	87.2	Confident	2 Å²	2	27.7 Å²	27.7	1%	0.01	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-30.5	170	-60.1	169.5	0	0	0	111.7	F204 V207 F209 T245 L246 I247 R252 V256 V261	F204-L249 HydrophobicContact CE1-CD1 4.4Å; V207-L249 HydrophobicContact CG1-CD1 3.91Å; F209-L249 HydrophobicContact CB-CD1 4.32Å; F209-L249 HydrophobicContact CB-CD2 4.38Å; F209-L249 HydrophobicContact CD1-CD2 4.49Å; F209-L249 HydrophobicContact CD2-CD2 3.86Å; F209-L249 HydrophobicContact CE2-CD2 4.31Å; F209-L249 HydrophobicContact CG-CD2 3.96Å; T245-L249 WeakPolarHBondContact O-CG 3.11Å; T245-L249 PolarHBondContact O-N 3.36Å; L246-L249 PolarHBondContact O-N 3.2Å; I247-L249 VanDerWaalsContact C-N 3.28Å; I247-L249 PolarHBondContact O-N 3.45Å; L249-R252 PolarHBondContact O-N 3.45Å; L249-V256 HydrophobicContact CB-CG1 4.42Å; L249-V256 HydrophobicContact CD1-CG1 4.07Å; L249-V256 HydrophobicContact CD2-CG1 4.13Å; L249-V256 HydrophobicContact CG-CG1 4.42Å; L249-V261 HydrophobicContact CB-CG2 4.38Å
250	I	92.1	Very high	88.3	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-49.3	-176.7	-50.2	173.2	0	0	0	112.7	L202 F204 I247 Q248 R252 V261 V263 L276 I280 I363 L393	L202-I250 HydrophobicContact CD1-CD1 4.32Å; L202-I250 HydrophobicContact CD1-CG1 4.47Å; L202-I250 HydrophobicContact CD1-CG2 4.29Å; L202-I250 HydrophobicContact CD2-CD1 4.04Å; F204-I250 HydrophobicContact CE2-CD1 4.02Å; F204-I250 HydrophobicContact CE2-CG1 4.01Å; F204-I250 HydrophobicContact CZ-CD1 4Å; F204-I250 HydrophobicContact CZ-CG1 3.72Å; I247-I250 WeakPolarHBondContact O-CB 3.17Å; I247-I250 PolarHBondContact O-N 2.88Å; Q248-I250 VanDerWaalsContact C-N 3.29Å; I250-R252 PolarHBondContact O-N 2.96Å; I250-V261 HydrophobicContact CG1-CG1 4.34Å; I250-V263 HydrophobicContact CG2-CG2 4.11Å; I250-L276 WeakPolarHBondContact O-CD2 3.26Å; I250-I280 HydrophobicContact CG2-CD1 3.96Å; I250-I363 HydrophobicContact CB-CD1 4.13Å; I250-I363 HydrophobicContact CD1-CD1 3.94Å; I250-I363 HydrophobicContact CG2-CD1 4.26Å; I250-L393 HydrophobicContact CD1-CD1 3.21Å
251	P	90.4	Very high	89.1	Confident	4 Å²	4	27.3 Å²	27.3	3%	0.026	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	8.4	175	34.4	-38.9	0	0	0	114.4	I247 Q248 F253 R277 I280	I247-P251 WeakPolarHBondContact O-CD 3.25Å; Q248-P251 WeakPolarHBondContact O-CD 3.48Å; P251-F253 HydrophobicContact CB-CD1 4.41Å; P251-F253 HydrophobicContact CB-CE1 4.14Å; P251-F253 HydrophobicContact CB-CZ 4.33Å; P251-F253 HydrophobicContact CG-CD1 4.16Å; P251-F253 HydrophobicContact CG-CD2 4.11Å; P251-F253 HydrophobicContact CG-CE1 4.12Å; P251-F253 HydrophobicContact CG-CE2 4.05Å; P251-F253 HydrophobicContact CG-CG 4.14Å; P251-F253 HydrophobicContact CG-CZ 4.04Å; P251-R277 HydrophobicContact CB-CG 4.41Å; P251-R277 PolarHBondContact O-NE 2.93Å; P251-R277 VanDerWaalsContact O-NE 3.09Å; P251-I280 HydrophobicContact CB-CD1 4.03Å
252	R	90.3	Very high	89.6	Confident	9 Å²	9	27.7 Å²	27.7	3%	0.034	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	65.6	-168.2	-68.3	-179.6	67.7	-157.4	2.2	112	I186 K187 L249 I250 D255 V268 L273 L276 R277	I186-R252 WeakPolarHBondContact CD1-O 3.36Å; K187-R252 PolarHBondContact O-NH2 3.05Å; L249-R252 PolarHBondContact O-N 3.45Å; I250-R252 PolarHBondContact O-N 2.96Å; R252-D255 IonicContact CZ-OD1 3.74Å; R252-D255 IonicContact CZ-OD2 3.08Å; R252-D255 IonicContact NE-OD1 2.86Å; R252-D255 PolarHBondContact NE-OD1 3.32Å; R252-D255 IonicContact NE-OD2 3.09Å; R252-D255 IonicContact NH2-OD1 3.05Å; R252-D255 PolarHBondContact NH2-OD1 3.45Å; R252-D255 IonicContact NH2-OD2 2.68Å; R252-D255 PolarHBondContact NH2-OD2 3.06Å; R252-V268 WeakPolarHBondContact CD-O 3.36Å; R252-V268 HydrophobicContact CG-CB 3.99Å; R252-V268 HydrophobicContact CG-CG2 3.88Å; R252-L273 HydrophobicContact CB-CD2 3.59Å; R252-L273 HydrophobicContact CG-CD2 4.34Å; R252-L276 HydrophobicContact CB-CD2 4.34Å; R252-L276 HydrophobicContact CG-CD2 3.86Å; R252-R277 PolarHBondContact O-NH2 2.77Å; R252-R277 VanDerWaalsContact O-NH2 3.11Å
253	F	87.5	Confident	89.9	Confident	53 Å²	53	27.7 Å²	27.7	23%	0.232	14%	0.144	C	C	.	.	S	Bend	trans	-87.8	-20.2	156.7	-63.1	-17.2	0	0	0	111.9	I186 Q248 P251 L616	I186-F253 WeakPolarHBondContact CD1-O 3.33Å; Q248-F253 HydrophobicContact CB-CB 4.26Å; Q248-F253 HydrophobicContact CB-CD2 4.17Å; Q248-F253 HydrophobicContact CG-CD2 3.88Å; Q248-F253 PolarHBondContact O-N 2.9Å; P251-F253 HydrophobicContact CB-CD1 4.41Å; P251-F253 HydrophobicContact CB-CE1 4.14Å; P251-F253 HydrophobicContact CB-CZ 4.33Å; P251-F253 HydrophobicContact CG-CD1 4.16Å; P251-F253 HydrophobicContact CG-CD2 4.11Å; P251-F253 HydrophobicContact CG-CE1 4.12Å; P251-F253 HydrophobicContact CG-CE2 4.05Å; P251-F253 HydrophobicContact CG-CG 4.14Å; P251-F253 HydrophobicContact CG-CZ 4.04Å; F253-L616 HydrophobicContact CE2-CD2 4.4Å; F253-L616 HydrophobicContact CZ-CD2 3.65Å; F253-L616 HydrophobicContact CZ-CG 3.86Å
254	Y	87.8	Confident	90.1	Very high	76 Å²	76	27.8 Å²	27.8	30%	0.298	14%	0.144	S	C	.	.	S	Bend	trans	-140.5	150	164	-59.7	-80.9	0	0	0	108.1	F209 Y211 Q248	F209-Y254 HydrophobicContact CE1-CG 4.48Å; F209-Y254 HydrophobicContact CE2-CD1 4.49Å; F209-Y254 HydrophobicContact CE2-CG 4.25Å; F209-Y254 AromaticContact CZ-CD1 3.88Å; F209-Y254 HydrophobicContact CZ-CD1 3.88Å; F209-Y254 HydrophobicContact CZ-CD2 4.49Å; F209-Y254 AromaticContact CZ-CG 3.69Å; F209-Y254 HydrophobicContact CZ-CG 3.69Å; Y211-Y254 HydrophobicContact CD1-CD1 4.2Å; Y211-Y254 AromaticContact CD1-CE1 3.87Å; Y211-Y254 HydrophobicContact CD1-CE1 3.87Å; Y211-Y254 HydrophobicContact CD1-CE2 4.49Å; Y211-Y254 HydrophobicContact CE1-CD1 4.21Å; Y211-Y254 HydrophobicContact CE1-CD2 4.02Å; Y211-Y254 AromaticContact CE1-CE1 3.84Å; Y211-Y254 HydrophobicContact CE1-CE1 3.84Å; Y211-Y254 AromaticContact CE1-CE2 3.65Å; Y211-Y254 HydrophobicContact CE1-CE2 3.65Å; Y211-Y254 HydrophobicContact CE1-CG 4.31Å; Y211-Y254 AromaticContact CE1-CZ 3.55Å; Q248-Y254 HydrophobicContact CB-CD2 4.45Å
255	D	88.6	Confident	90	Very high	40 Å²	40	28.3 Å²	28.3	21%	0.214	15%	0.152	C	C	.	.			trans	-92.7	146.1	169.8	-79.9	-29.6	0	0	0	109.9	F209 R252	F209-D255 VanDerWaalsContact CD2-O 3.25Å; F209-D255 WeakPolarHBondContact CD2-O 3.37Å; F209-D255 VanDerWaalsContact CE2-O 3.3Å; F209-D255 WeakPolarHBondContact CE2-O 3.3Å; R252-D255 IonicContact CZ-OD1 3.74Å; R252-D255 IonicContact CZ-OD2 3.08Å; R252-D255 IonicContact NE-OD1 2.86Å; R252-D255 PolarHBondContact NE-OD1 3.32Å; R252-D255 IonicContact NE-OD2 3.09Å; R252-D255 IonicContact NH2-OD1 3.05Å; R252-D255 PolarHBondContact NH2-OD1 3.45Å; R252-D255 IonicContact NH2-OD2 2.68Å; R252-D255 PolarHBondContact NH2-OD2 3.06Å
256	V	89.7	Confident	90.1	Very high	12 Å²	12	29.5 Å²	29.5	7%	0.073	16%	0.157	C	C	.	.			trans	-63.4	141.6	178.2	-62.1	0	0	0	0	111.8	V207 L249 V261	V207-V256 HydrophobicContact CG1-CB 4.37Å; V207-V256 HydrophobicContact CG1-CG1 3.71Å; L249-V256 HydrophobicContact CB-CG1 4.42Å; L249-V256 HydrophobicContact CD1-CG1 4.07Å; L249-V256 HydrophobicContact CD2-CG1 4.13Å; L249-V256 HydrophobicContact CG-CG1 4.42Å; V256-V261 HydrophobicContact CG1-CG2 3.82Å
257	T	88	Confident	90.1	Very high	83 Å²	83	29.9 Å²	29.9	51%	0.509	16%	0.16	S	C	.	.	S	Bend	trans	-75.6	-46.4	175.8	-51.2	0	0	0	0	110.2	T208 F209 A210	T208-T257 WeakPolarHBondContact O-CA 3.28Å; T208-T257 WeakPolarHBondContact O-CB 3.27Å; T208-T257 PolarHBondContact O-N 2.8Å; F209-T257 WeakPolarHBondContact CA-OG1 3.21Å; A210-T257 PolarHBondContact N-OG1 3.2Å; A210-T257 VanDerWaalsContact N-OG1 3.1Å
258	E	88.7	Confident	90.1	Very high	125 Å²	125	30 Å²	30	58%	0.584	16%	0.16	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-137.2	162.7	172.1	-53.1	-179.6	154.8	0	0	110.6	V207 T208	V207-E258 WeakPolarHBondContact CA-O 3.34Å; T208-E258 PolarHBondContact N-O 3.42Å; T208-E258 PolarHBondContact O-N 3.12Å
259	G	91.9	Very high	90	Very high	26 Å²	26	31.8 Å²	31.8	27%	0.268	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	80.9	-163	-175.8	0	0	0	0	0	113.7	R205 N206 R269	R205-G259 CarbonylContact O-C 3.55Å; R205-G259 WeakPolarHBondContact O-CA 3.5Å; N206-G259 WeakPolarHBondContact O-CA 3.28Å; G259-R269 PolarHBondContact O-NH2 3.48Å
260	Q	92.8	Very high	89.8	Confident	77 Å²	77	34.6 Å²	34.6	36%	0.36	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	138.1	-178.9	-57.6	-171.4	-53.1	0	0	110.4	R205 V207 L262 D267	R205-Q260 HydrophobicContact CB-CB 4.48Å; R205-Q260 PolarHBondContact N-O 3.43Å; R205-Q260 PolarHBondContact O-N 2.99Å; V207-Q260 VanDerWaalsContact CG2-O 3.27Å; V207-Q260 WeakPolarHBondContact CG2-O 3.45Å; Q260-L262 HydrophobicContact CB-CD1 3.87Å; Q260-L262 HydrophobicContact CB-CG 4.38Å; Q260-D267 WeakPolarHBondContact CB-OD2 3.39Å; Q260-D267 WeakPolarHBondContact CG-OD2 3.29Å
261	V	93.1	Very high	89.5	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	116.3	164.3	176.1	0	0	0	0	106.4	L202 F204 V207 L249 I250 V256 D267 V268	L202-V261 HydrophobicContact CD1-CG1 4.26Å; F204-V261 HydrophobicContact CD1-CG2 3.71Å; F204-V261 HydrophobicContact CD2-CG1 4.28Å; F204-V261 HydrophobicContact CD2-CG2 4.47Å; F204-V261 HydrophobicContact CE1-CG1 4.48Å; F204-V261 HydrophobicContact CE1-CG2 3.58Å; F204-V261 HydrophobicContact CE2-CG1 3.9Å; F204-V261 HydrophobicContact CE2-CG2 4.37Å; F204-V261 HydrophobicContact CG-CG2 4.16Å; F204-V261 HydrophobicContact CZ-CG1 4Å; F204-V261 HydrophobicContact CZ-CG2 3.93Å; V207-V261 HydrophobicContact CG1-CG2 4.44Å; V207-V261 HydrophobicContact CG2-CG2 3.85Å; L249-V261 HydrophobicContact CB-CG2 4.38Å; I250-V261 HydrophobicContact CG1-CG1 4.34Å; V256-V261 HydrophobicContact CG1-CG2 3.82Å; V261-D267 WeakPolarHBondContact O-CA 3.38Å; V261-V268 HydrophobicContact CB-CG1 4.38Å; V261-V268 HydrophobicContact CB-CG2 4.12Å; V261-V268 HydrophobicContact CG1-CG1 4.01Å; V261-V268 PolarHBondContact O-N 2.78Å
262	L	92.6	Very high	89.3	Confident	9 Å²	9	37 Å²	37	5%	0.047	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.9	-178.4	-54.3	96.2	0	0	0	109.8	L202 E203 R205 Q260 Q266	L202-L262 WeakPolarHBondContact CA-O 3.29Å; E203-L262 HydrophobicContact CB-CB 4.35Å; E203-L262 HydrophobicContact CB-CD1 4.28Å; E203-L262 HydrophobicContact CG-CD1 4.29Å; E203-L262 PolarHBondContact N-O 3.35Å; E203-L262 PolarHBondContact O-N 3.44Å; R205-L262 HydrophobicContact CB-CD1 4.33Å; R205-L262 HydrophobicContact CG-CD1 3.72Å; Q260-L262 HydrophobicContact CB-CD1 3.87Å; Q260-L262 HydrophobicContact CB-CG 4.38Å; L262-Q266 CarbonylContact C-O 3.47Å; L262-Q266 VanDerWaalsContact CA-O 3.23Å; L262-Q266 WeakPolarHBondContact CA-O 3.47Å
263	V	90.9	Very high	89	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	130.5	165.7	170.6	0	0	0	0	106.8	L202 I250 G265 Q266 V268 Y271 L276 I361	L202-V263 HydrophobicContact CD1-CG2 3.97Å; I250-V263 HydrophobicContact CG2-CG2 4.11Å; V263-G265 PolarHBondContact O-N 3.49Å; V263-G265 VanDerWaalsContact O-N 3.13Å; V263-Q266 PolarHBondContact N-O 2.92Å; V263-Q266 PolarHBondContact O-N 2.71Å; V263-Q266 VanDerWaalsContact O-O 3.07Å; V263-V268 HydrophobicContact CG2-CG1 3.86Å; V263-Y271 HydrophobicContact CB-CE2 4.39Å; V263-Y271 PolarHBondContact O-OH 2.86Å; V263-Y271 VanDerWaalsContact O-OH 3.09Å; V263-L276 HydrophobicContact CB-CD1 4.42Å; V263-L276 HydrophobicContact CG2-CD1 4.19Å; V263-I361 HydrophobicContact CG1-CD1 3.84Å; V263-I361 HydrophobicContact CG2-CD1 3.92Å
264	N	90.6	Very high	88.9	Confident	3 Å²	3	41.1 Å²	41.1	2%	0.016	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	33.9	178.1	-70	-13.9	0	0	0	113.8	P196 T197 E198 G200 S201 Q266 E360	P196-N264 HydrophobicContact CB-CB 3.72Å; T197-N264 PolarHBondContact N-O 2.91Å; T197-N264 PolarHBondContact OG1-O 2.8Å; E198-N264 PolarHBondContact N-O 2.9Å; E198-N264 CarbonylContact O-C 3.54Å; E198-N264 WeakPolarHBondContact O-CA 3.49Å; E198-N264 WeakPolarHBondContact O-CB 3.44Å; E198-N264 PolarHBondContact O-OD1 3.33Å; G200-N264 PolarHBondContact N-OD1 2.85Å; S201-N264 PolarHBondContact N-OD1 2.65Å; S201-N264 PolarHBondContact O-N 3.44Å; N264-Q266 VanDerWaalsContact C-N 3.32Å; N264-Q266 PolarHBondContact O-N 3.16Å; N264-E360 PolarHBondContact ND2-OE2 3.04Å
265	G	86.5	Confident	88.9	Confident	29 Å²	29	39.9 Å²	39.9	30%	0.299	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	1.8	-176.9	0	0	0	0	0	116.1	V263	V263-G265 PolarHBondContact O-N 3.49Å; V263-G265 VanDerWaalsContact O-N 3.13Å
266	Q	88.4	Confident	88.8	Confident	32 Å²	32	38 Å²	38	15%	0.15	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	138.6	-179.6	-177.3	172.6	13.1	0	0	111.8	A194 L262 V263 N264 V268 D270 Y271	A194-Q266 VanDerWaalsContact CB-OE1 3.24Å; L262-Q266 CarbonylContact C-O 3.47Å; L262-Q266 VanDerWaalsContact CA-O 3.23Å; L262-Q266 WeakPolarHBondContact CA-O 3.47Å; V263-Q266 PolarHBondContact N-O 2.92Å; V263-Q266 PolarHBondContact O-N 2.71Å; V263-Q266 VanDerWaalsContact O-O 3.07Å; N264-Q266 VanDerWaalsContact C-N 3.32Å; N264-Q266 PolarHBondContact O-N 3.16Å; Q266-V268 PolarHBondContact O-N 3.35Å; Q266-D270 HydrophobicContact CG-CB 4.07Å; Q266-Y271 HydrophobicContact CB-CE2 3.89Å; Q266-Y271 HydrophobicContact CG-CD2 4.44Å; Q266-Y271 HydrophobicContact CG-CE2 3.98Å
267	D	90.4	Very high	88.9	Confident	9 Å²	9	40.2 Å²	40.2	5%	0.048	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	133.6	177	-168.6	-57.4	0	0	0	111	Q260 V261 R269 D270	Q260-D267 WeakPolarHBondContact CB-OD2 3.39Å; Q260-D267 WeakPolarHBondContact CG-OD2 3.29Å; V261-D267 WeakPolarHBondContact O-CA 3.38Å; D267-R269 PolarHBondContact O-N 2.85Å; D267-R269 VanDerWaalsContact O-N 3.09Å; D267-R269 VanDerWaalsContact OD1-CB 3.25Å; D267-R269 WeakPolarHBondContact OD1-CB 3.3Å; D267-R269 WeakPolarHBondContact OD1-CG 3.25Å; D267-R269 IonicContact OD1-CZ 2.82Å; D267-R269 PolarHBondContact OD1-N 3.26Å; D267-R269 IonicContact OD1-NE 2.85Å; D267-R269 PolarHBondContact OD1-NE 2.78Å; D267-R269 IonicContact OD1-NH2 3.18Å; D267-R269 IonicContact OD2-CZ 3.22Å; D267-R269 IonicContact OD2-NE 2.68Å; D267-R269 PolarHBondContact OD2-NE 2.89Å; D267-R269 IonicContact OD2-NH2 2.79Å; D267-R269 PolarHBondContact OD2-NH2 3.07Å; D267-D270 WeakPolarHBondContact O-CB 3.49Å; D267-D270 PolarHBondContact O-N 3.39Å
268	V	90.1	Very high	88.8	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.018	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-54.3	-31.1	179.4	-67.4	0	0	0	0	113	R252 V261 V263 Q266 D270 Y271 L276	R252-V268 WeakPolarHBondContact CD-O 3.36Å; R252-V268 HydrophobicContact CG-CB 3.99Å; R252-V268 HydrophobicContact CG-CG2 3.88Å; V261-V268 HydrophobicContact CB-CG1 4.38Å; V261-V268 HydrophobicContact CB-CG2 4.12Å; V261-V268 HydrophobicContact CG1-CG1 4.01Å; V261-V268 PolarHBondContact O-N 2.78Å; V263-V268 HydrophobicContact CG2-CG1 3.86Å; Q266-V268 PolarHBondContact O-N 3.35Å; V268-D270 PolarHBondContact O-N 3.37Å; V268-Y271 PolarHBondContact O-N 3.02Å; V268-L276 HydrophobicContact CB-CD1 4.47Å; V268-L276 HydrophobicContact CB-CD2 3.88Å; V268-L276 HydrophobicContact CG1-CD1 3.98Å; V268-L276 HydrophobicContact CG1-CD2 4.16Å
269	R	87.8	Confident	88.8	Confident	75 Å²	75	36.8 Å²	36.8	28%	0.283	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-69.6	-11.8	177.8	-63.5	173	-70.6	-165.1	-5.6	113.7	K192 G259 D267	K192-R269 PolarHBondContact NZ-O 3.25Å; G259-R269 PolarHBondContact O-NH2 3.48Å; D267-R269 PolarHBondContact O-N 2.85Å; D267-R269 VanDerWaalsContact O-N 3.09Å; D267-R269 VanDerWaalsContact OD1-CB 3.25Å; D267-R269 WeakPolarHBondContact OD1-CB 3.3Å; D267-R269 WeakPolarHBondContact OD1-CG 3.25Å; D267-R269 IonicContact OD1-CZ 2.82Å; D267-R269 PolarHBondContact OD1-N 3.26Å; D267-R269 IonicContact OD1-NE 2.85Å; D267-R269 PolarHBondContact OD1-NE 2.78Å; D267-R269 IonicContact OD1-NH2 3.18Å; D267-R269 IonicContact OD2-CZ 3.22Å; D267-R269 IonicContact OD2-NE 2.68Å; D267-R269 PolarHBondContact OD2-NE 2.89Å; D267-R269 IonicContact OD2-NH2 2.79Å; D267-R269 PolarHBondContact OD2-NH2 3.07Å
270	D	87.2	Confident	88.8	Confident	61 Å²	61	35.9 Å²	35.9	33%	0.326	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-97.1	-1.7	176.5	-64.3	-34.8	0	0	0	113.7	K192 Q266 D267 V268	K192-D270 WeakPolarHBondContact CB-O 3.1Å; K192-D270 HydrophobicContact CD-CB 4.36Å; K192-D270 IonicContact NZ-OD1 3.33Å; K192-D270 PolarHBondContact NZ-OD1 3.37Å; Q266-D270 HydrophobicContact CG-CB 4.07Å; D267-D270 WeakPolarHBondContact O-CB 3.49Å; D267-D270 PolarHBondContact O-N 3.39Å; V268-D270 PolarHBondContact O-N 3.37Å
271	Y	86.2	Confident	88.7	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.008	16%	0.156	C	C	.	.	S	Bend	trans	-90	148.3	168.8	-73	-95.2	0	0	0	112.4	A194 V263 Q266 V268 L276 K279	A194-Y271 HydrophobicContact CB-CD1 3.47Å; A194-Y271 VanDerWaalsContact CB-CD1 3.47Å; A194-Y271 HydrophobicContact CB-CE1 3.43Å; A194-Y271 VanDerWaalsContact CB-CE1 3.43Å; A194-Y271 HydrophobicContact CB-CG 4.21Å; V263-Y271 HydrophobicContact CB-CE2 4.39Å; V263-Y271 PolarHBondContact O-OH 2.86Å; V263-Y271 VanDerWaalsContact O-OH 3.09Å; Q266-Y271 HydrophobicContact CB-CE2 3.89Å; Q266-Y271 HydrophobicContact CG-CD2 4.44Å; Q266-Y271 HydrophobicContact CG-CE2 3.98Å; V268-Y271 PolarHBondContact O-N 3.02Å; Y271-L276 HydrophobicContact CD1-CB 4.34Å; Y271-L276 HydrophobicContact CD2-CD1 4.23Å; Y271-L276 HydrophobicContact CG-CB 4.07Å; Y271-L276 HydrophobicContact CG-CD1 4.32Å; Y271-K279 HydrophobicContact CE1-CD 4.43Å
272	Q	85.8	Confident	88.6	Confident	53 Å²	53	33.4 Å²	33.4	25%	0.248	16%	0.16	C	C	.	.			trans	-62.4	136.8	153.5	-60.1	-171.7	16.8	0	0	109	P190 K192 K274 D275 L276	P190-Q272 PolarHBondContact O-NE2 3.35Å; P190-Q272 VanDerWaalsContact O-NE2 3.07Å; K192-Q272 VanDerWaalsContact O-CG 3.32Å; K192-Q272 WeakPolarHBondContact O-CG 3.35Å; K192-Q272 PolarHBondContact O-NE2 3.3Å; K192-Q272 VanDerWaalsContact O-NE2 3.09Å; Q272-K274 PolarHBondContact O-N 3Å; Q272-K274 VanDerWaalsContact O-N 3.08Å; Q272-D275 PolarHBondContact O-N 3.31Å; Q272-L276 PolarHBondContact O-N 3.18Å; Q272-L276 VanDerWaalsContact O-N 3.15Å
273	L	85.6	Confident	88.6	Confident	20 Å²	20	33 Å²	33	11%	0.105	16%	0.158	C	C	.	.	H	α-helix	trans	-56.4	-32.9	-175.4	-70.3	176.4	0	0	0	113.2	I186 D188 R252 R277	I186-L273 HydrophobicContact CG2-CD1 4.21Å; I186-L273 HydrophobicContact CG2-CD2 4.49Å; D188-L273 HydrophobicContact CB-CD1 3.8Å; D188-L273 HydrophobicContact CB-CG 4.2Å; D188-L273 PolarHBondContact OD1-N 2.84Å; R252-L273 HydrophobicContact CB-CD2 3.59Å; R252-L273 HydrophobicContact CG-CD2 4.34Å; L273-R277 VanDerWaalsContact O-CB 3.28Å; L273-R277 WeakPolarHBondContact O-CB 3.48Å; L273-R277 WeakPolarHBondContact O-CD 3.27Å; L273-R277 WeakPolarHBondContact O-CG 3.18Å; L273-R277 PolarHBondContact O-N 3.41Å
274	K	85.1	Confident	88.4	Confident	128 Å²	128	33.9 Å²	33.9	56%	0.557	16%	0.164	S	C	*	.	H	α-helix	trans	-64.6	-49.8	176.5	-174.8	174.1	177.8	-69.2	0	112.1	Q272 L276 R277 E278	Q272-K274 PolarHBondContact O-N 3Å; Q272-K274 VanDerWaalsContact O-N 3.08Å; K274-L276 VanDerWaalsContact C-N 3.32Å; K274-L276 PolarHBondContact O-N 3.48Å; K274-R277 PolarHBondContact O-N 2.96Å; K274-E278 WeakPolarHBondContact CE-OE1 3.31Å; K274-E278 IonicContact NZ-OE1 3.58Å; K274-E278 PolarHBondContact NZ-OE1 2.85Å; K274-E278 WeakPolarHBondContact O-CB 3.35Å; K274-E278 WeakPolarHBondContact O-CG 3.4Å; K274-E278 PolarHBondContact O-N 3.41Å
275	D	86.1	Confident	88	Confident	50 Å²	50	36.5 Å²	36.5	27%	0.267	18%	0.176	S	C	.	.	H	α-helix	trans	-71	-28.4	-175.3	-61	-16.2	0	0	0	112.7	Q272 K279	Q272-D275 PolarHBondContact O-N 3.31Å; D275-K279 PolarHBondContact O-NZ 2.87Å
276	L	87.8	Confident	87.7	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-69.3	-54.8	170.2	178.4	60.5	0	0	0	110.7	I250 R252 V263 V268 Y271 Q272 K274 E278 K279 I280	I250-L276 WeakPolarHBondContact O-CD2 3.26Å; R252-L276 HydrophobicContact CB-CD2 4.34Å; R252-L276 HydrophobicContact CG-CD2 3.86Å; V263-L276 HydrophobicContact CB-CD1 4.42Å; V263-L276 HydrophobicContact CG2-CD1 4.19Å; V268-L276 HydrophobicContact CB-CD1 4.47Å; V268-L276 HydrophobicContact CB-CD2 3.88Å; V268-L276 HydrophobicContact CG1-CD1 3.98Å; V268-L276 HydrophobicContact CG1-CD2 4.16Å; Y271-L276 HydrophobicContact CD1-CB 4.34Å; Y271-L276 HydrophobicContact CD2-CD1 4.23Å; Y271-L276 HydrophobicContact CG-CB 4.07Å; Y271-L276 HydrophobicContact CG-CD1 4.32Å; Q272-L276 PolarHBondContact O-N 3.18Å; Q272-L276 VanDerWaalsContact O-N 3.15Å; K274-L276 VanDerWaalsContact C-N 3.32Å; K274-L276 PolarHBondContact O-N 3.48Å; L276-E278 PolarHBondContact O-N 2.97Å; L276-E278 VanDerWaalsContact O-N 3.16Å; L276-K279 PolarHBondContact O-N 3Å; L276-I280 HydrophobicContact CD1-CD1 4.27Å; L276-I280 HydrophobicContact CG-CD1 4.25Å
277	R	90.9	Very high	87.3	Confident	60 Å²	60	42.5 Å²	42.5	23%	0.226	20%	0.196	C	C	.	.	H	α-helix	trans	-66.2	-14.7	179.6	-67.6	172.7	-172.7	167.1	5.7	113.1	P251 R252 L273 K274 K279 R357	P251-R277 HydrophobicContact CB-CG 4.41Å; P251-R277 PolarHBondContact O-NE 2.93Å; P251-R277 VanDerWaalsContact O-NE 3.09Å; R252-R277 PolarHBondContact O-NH2 2.77Å; R252-R277 VanDerWaalsContact O-NH2 3.11Å; L273-R277 VanDerWaalsContact O-CB 3.28Å; L273-R277 WeakPolarHBondContact O-CB 3.48Å; L273-R277 WeakPolarHBondContact O-CD 3.27Å; L273-R277 WeakPolarHBondContact O-CG 3.18Å; L273-R277 PolarHBondContact O-N 3.41Å; K274-R277 PolarHBondContact O-N 2.96Å; R277-K279 VanDerWaalsContact C-N 3.33Å; R277-R357 PolarHBondContact O-NH1 3.1Å; R277-R357 PolarHBondContact O-NH2 3.36Å
278	E	86.4	Confident	86.9	Confident	92 Å²	92	44.5 Å²	44.5	43%	0.43	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-23.9	170	-84	-178.2	-158.4	0	0	114	K274 L276	K274-E278 WeakPolarHBondContact CE-OE1 3.31Å; K274-E278 IonicContact NZ-OE1 3.58Å; K274-E278 PolarHBondContact NZ-OE1 2.85Å; K274-E278 WeakPolarHBondContact O-CB 3.35Å; K274-E278 WeakPolarHBondContact O-CG 3.4Å; K274-E278 PolarHBondContact O-N 3.41Å; L276-E278 PolarHBondContact O-N 2.97Å; L276-E278 VanDerWaalsContact O-N 3.16Å
279	K	89.3	Confident	86.6	Confident	44 Å²	44	44.7 Å²	44.7	19%	0.191	21%	0.206	C	C	.	.	S	Bend	trans	-88.5	-7.1	-179.8	-64.9	168.9	-178	58.1	0	114	Y271 D275 L276 R277 P359 E360 I361	Y271-K279 HydrophobicContact CE1-CD 4.43Å; D275-K279 PolarHBondContact O-NZ 2.87Å; L276-K279 PolarHBondContact O-N 3Å; R277-K279 VanDerWaalsContact C-N 3.33Å; K279-P359 WeakPolarHBondContact O-CB 3.39Å; K279-E360 PolarHBondContact O-N 3.43Å; K279-I361 PolarHBondContact O-N 3.31Å
280	I	91.5	Very high	86.4	Confident	6 Å²	6	42.9 Å²	42.9	3%	0.031	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	132.4	-168.7	-54.3	168.1	0	0	0	110.6	I250 P251 L276 R357 I361 I363	I250-I280 HydrophobicContact CG2-CD1 3.96Å; P251-I280 HydrophobicContact CB-CD1 4.03Å; L276-I280 HydrophobicContact CD1-CD1 4.27Å; L276-I280 HydrophobicContact CG-CD1 4.25Å; I280-R357 PolarHBondContact O-NH1 3.18Å; I280-I361 CarbonylContact C-O 3.53Å; I280-I361 WeakPolarHBondContact CA-O 3.27Å; I280-I363 HydrophobicContact CG2-CD1 3.78Å; I280-I363 HydrophobicContact CG2-CG1 4.09Å
281	G	90.5	Very high	86.2	Confident	3 Å²	3	43.3 Å²	43.3	3%	0.031	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	106	161.9	0	0	0	0	0	109.6	I361 I363	G281-I361 PolarHBondContact N-O 3.21Å; G281-I363 PolarHBondContact O-N 3.35Å
282	Y	91.3	Very high	86.3	Confident	22 Å²	22	44.3 Å²	44.3	9%	0.086	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	120.9	-179.7	-165.9	-82.9	0	0	0	110.4	I247 P284 I363 D365 L616	I247-Y282 HydrophobicContact CD1-CE2 3.99Å; I247-Y282 WeakPolarHBondContact CD1-OH 3.45Å; I247-Y282 HydrophobicContact CG1-CE2 4.47Å; Y282-P284 HydrophobicContact CD1-CB 4.35Å; Y282-P284 HydrophobicContact CE1-CB 3.96Å; Y282-I363 HydrophobicContact CD2-CB 3.85Å; Y282-I363 HydrophobicContact CD2-CD1 4.09Å; Y282-I363 HydrophobicContact CD2-CG1 4.5Å; Y282-I363 HydrophobicContact CD2-CG2 3.76Å; Y282-I363 HydrophobicContact CE2-CB 4.34Å; Y282-I363 HydrophobicContact CE2-CG2 3.72Å; Y282-D365 HydrophobicContact CE1-CB 4.26Å; Y282-D365 PolarHBondContact OH-OD2 3.07Å; Y282-L616 HydrophobicContact CD1-CD2 4.03Å; Y282-L616 HydrophobicContact CG-CD2 4.16Å
283	I	91.5	Very high	86.6	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	107.5	173.7	-51.4	77.7	0	0	0	107.1	A350 I351 A354 I363 F364 D365 S367	I283-A350 HydrophobicContact CG2-CB 4.24Å; I283-I351 HydrophobicContact CG1-CG1 4.35Å; I283-I351 HydrophobicContact CG2-CG1 3.96Å; I283-A354 HydrophobicContact CD1-CB 3.49Å; I283-A354 VanDerWaalsContact CD1-CB 3.49Å; I283-A354 HydrophobicContact CG1-CB 3.63Å; I283-I363 WeakPolarHBondContact CD1-O 3.18Å; I283-I363 PolarHBondContact N-O 3.42Å; I283-F364 HydrophobicContact CB-CD1 4.14Å; I283-F364 HydrophobicContact CD1-CD1 3.64Å; I283-F364 HydrophobicContact CD1-CE1 3.55Å; I283-F364 HydrophobicContact CD1-CG 4.25Å; I283-F364 HydrophobicContact CD1-CZ 4.08Å; I283-F364 HydrophobicContact CG1-CD1 3.91Å; I283-F364 HydrophobicContact CG1-CE1 3.94Å; I283-D365 WeakPolarHBondContact O-CB 3.39Å; I283-D365 PolarHBondContact O-N 2.79Å; I283-S367 VanDerWaalsContact CG2-CB 3.42Å
284	P	87.3	Confident	86.9	Confident	18 Å²	18	41.6 Å²	41.6	12%	0.117	20%	0.204	C	C	.	.			trans	-75.6	159.5	-178.6	30.8	-35.1	0	0	0	112.8	Y282 K286 Q347 D365	Y282-P284 HydrophobicContact CD1-CB 4.35Å; Y282-P284 HydrophobicContact CE1-CB 3.96Å; P284-K286 VanDerWaalsContact C-N 3.34Å; P284-K286 PolarHBondContact O-N 3.29Å; P284-Q347 PolarHBondContact O-NE2 3.32Å; P284-D365 CarbonylContact C-O 3.58Å
285	Q	81.4	Confident	87.3	Confident	59 Å²	59	36.9 Å²	36.9	28%	0.276	18%	0.184	S	C	.	.	S	Bend	trans	-55.9	-45.1	177.3	-174.4	177.7	34.1	0	0	112.9	Q347 D365 D366	Q285-Q347 PolarHBondContact O-NE2 2.96Å; Q285-D365 WeakPolarHBondContact CA-O 3.21Å; Q285-D365 WeakPolarHBondContact CB-O 3.26Å; Q285-D365 PolarHBondContact N-O 3.47Å; Q285-D366 HydrophobicContact CB-CB 4.34Å; Q285-D366 HydrophobicContact CG-CB 3.91Å; Q285-D366 PolarHBondContact NE2-OD2 2.75Å
286	K	80.3	Confident	87.5	Confident	174 Å²	174	38 Å²	38	76%	0.757	19%	0.19	S	C	*	.	S	Bend	trans	-95.9	103.7	170.3	-68.7	-174.9	-179.6	179.9	0	109.2	P284 Q288	P284-K286 VanDerWaalsContact C-N 3.34Å; P284-K286 PolarHBondContact O-N 3.29Å; K286-Q288 PolarHBondContact O-N 3.06Å
287	A	81.5	Confident	87.7	Confident	13 Å²	13	38.2 Å²	38.2	11%	0.107	19%	0.191	C	C	.	.			trans	-64.4	103.7	173.4	0	0	0	0	0	111.5	K346 Q347 A350	A287-K346 HydrophobicContact CB-CB 3.86Å; A287-Q347 HydrophobicContact CB-CB 4.31Å; A287-Q347 HydrophobicContact CB-CG 3.79Å; A287-A350 HydrophobicContact CB-CB 3.8Å
288	Q	80.3	Confident	87.8	Confident	51 Å²	51	35.4 Å²	35.4	24%	0.238	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-90.6	124.7	169.3	-58.9	-171.4	-17.2	0	0	110.7	K286 R353 T609 V613	K286-Q288 PolarHBondContact O-N 3.06Å; Q288-R353 PolarHBondContact O-NH1 3.5Å; Q288-R353 PolarHBondContact O-NH2 2.91Å; Q288-T609 PolarHBondContact NE2-O 3.21Å; Q288-V613 HydrophobicContact CB-CG2 3.89Å; Q288-V613 HydrophobicContact CG-CG2 4.28Å; Q288-V613 VanDerWaalsContact OE1-CG2 3.28Å
289	L	84.9	Confident	88.1	Confident	6 Å²	6	35.2 Å²	35.2	3%	0.031	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-101.3	143.6	166.7	-57.8	-176.8	0	0	0	109.1	N297 L334 G337 K346 L349	L289-N297 WeakPolarHBondContact CA-OD1 3.29Å; L289-L334 HydrophobicContact CB-CD1 4.41Å; L289-L334 HydrophobicContact CD1-CD1 4.21Å; L289-L334 HydrophobicContact CD1-CD2 3.68Å; L289-G337 WeakPolarHBondContact O-CA 3.49Å; L289-G337 PolarHBondContact O-N 3.02Å; L289-K346 HydrophobicContact CD1-CB 4.25Å; L289-K346 HydrophobicContact CD1-CG 4.02Å; L289-K346 HydrophobicContact CG-CB 4.35Å; L289-K346 HydrophobicContact CG-CG 4.38Å; L289-L349 HydrophobicContact CD1-CB 4.21Å; L289-L349 HydrophobicContact CD1-CD1 3.62Å; L289-L349 HydrophobicContact CD2-CB 3.79Å
290	F	84	Confident	87.9	Confident	38 Å²	38	36 Å²	36	17%	0.167	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-84.5	152.7	174.4	-69.3	-76.7	0	0	0	111	N297 Y300 V613 Y617	F290-N297 PolarHBondContact N-OD1 3.39Å; F290-N297 PolarHBondContact O-ND2 3.36Å; F290-Y300 HydrophobicContact CB-CE2 4.33Å; F290-Y300 HydrophobicContact CD2-CD1 4.25Å; F290-Y300 AromaticContact CD2-CD2 3.82Å; F290-Y300 HydrophobicContact CD2-CD2 3.82Å; F290-Y300 AromaticContact CD2-CE1 3.84Å; F290-Y300 HydrophobicContact CD2-CE1 3.84Å; F290-Y300 AromaticContact CD2-CE2 3.37Å; F290-Y300 HydrophobicContact CD2-CE2 3.37Å; F290-Y300 HydrophobicContact CD2-CG 4.24Å; F290-Y300 AromaticContact CD2-CZ 3.37Å; F290-Y300 AromaticContact CE2-CD1 3.69Å; F290-Y300 HydrophobicContact CE2-CD1 3.69Å; F290-Y300 HydrophobicContact CE2-CD2 4.11Å; F290-Y300 AromaticContact CE2-CE1 3.34Å; F290-Y300 HydrophobicContact CE2-CE1 3.34Å; F290-Y300 AromaticContact CE2-CE2 3.81Å; F290-Y300 HydrophobicContact CE2-CE2 3.81Å; F290-Y300 HydrophobicContact CE2-CG 4.06Å; F290-Y300 AromaticContact CE2-CZ 3.39Å; F290-Y300 HydrophobicContact CG-CE2 4.04Å; F290-Y300 AromaticContact CG-CZ 3.95Å; F290-Y300 HydrophobicContact CZ-CD1 4.48Å; F290-Y300 AromaticContact CZ-CE1 3.84Å; F290-Y300 HydrophobicContact CZ-CE1 3.84Å; F290-V613 HydrophobicContact CE2-CG1 3.65Å; F290-V613 HydrophobicContact CZ-CB 4.17Å; F290-V613 HydrophobicContact CZ-CG1 3.62Å; F290-Y617 AromaticContact CE2-CD2 3.85Å; F290-Y617 HydrophobicContact CE2-CD2 3.85Å; F290-Y617 HydrophobicContact CE2-CE2 4.21Å; F290-Y617 HydrophobicContact CZ-CD2 4.2Å
291	T	83.1	Confident	87.6	Confident	69 Å²	69	36.1 Å²	36.1	42%	0.423	18%	0.181	S	C	.	.	S	Bend	trans	-58.7	134.7	164.1	-43.7	0	0	0	0	110.5	L334 E606	T291-L334 WeakPolarHBondContact CA-O 3.32Å; T291-E606 WeakPolarHBondContact CB-OE1 3.37Å; T291-E606 PolarHBondContact OG1-OE1 3.15Å
292	G	88.5	Confident	87.6	Confident	24 Å²	24	39.7 Å²	39.7	25%	0.247	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	136.6	-162.8	-170.8	0	0	0	0	0	111	E333 L334	G292-E333 CarbonylContact O-C 3.46Å; G292-E333 WeakPolarHBondContact O-CA 3.08Å; G292-L334 PolarHBondContact N-O 3.1Å; G292-L334 WeakPolarHBondContact O-CB 3.3Å; G292-L334 PolarHBondContact O-N 3.37Å
293	T	92	Very high	87.2	Confident	16 Å²	16	46.1 Å²	46.1	10%	0.098	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	167.7	176.2	64.3	0	0	0	0	113	E295 D296 N297 E332	T293-E295 VanDerWaalsContact C-N 3.26Å; T293-E295 PolarHBondContact O-N 3.29Å; T293-E295 PolarHBondContact OG1-N 3.05Å; T293-D296 WeakPolarHBondContact CB-OD2 3.23Å; T293-D296 PolarHBondContact N-OD2 3.44Å; T293-D296 PolarHBondContact O-N 3.48Å; T293-D296 PolarHBondContact OG1-N 2.93Å; T293-D296 PolarHBondContact OG1-OD2 2.78Å; T293-N297 PolarHBondContact O-N 3.45Å; T293-N297 PolarHBondContact O-ND2 3.11Å; T293-E332 WeakPolarHBondContact CA-O 3.36Å
294	I	92.2	Very high	87	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-58	-41.5	166.8	-62.3	-180	0	0	0	110.3	N297 L298 I323 Y330 E332 L334 F341 L349	I294-N297 PolarHBondContact O-N 3.44Å; I294-L298 HydrophobicContact CG2-CD1 4.2Å; I294-L298 HydrophobicContact CG2-CG 4.35Å; I294-L298 WeakPolarHBondContact O-CG 3.46Å; I294-L298 PolarHBondContact O-N 3.43Å; I294-I323 HydrophobicContact CD1-CG1 4.15Å; I294-I323 HydrophobicContact CD1-CG2 4.45Å; I294-I323 HydrophobicContact CG2-CD1 4.21Å; I294-Y330 WeakPolarHBondContact CB-O 3.44Å; I294-Y330 HydrophobicContact CG2-CD1 4.18Å; I294-Y330 PolarHBondContact N-O 3.3Å; I294-E332 HydrophobicContact CD1-CB 4.07Å; I294-E332 HydrophobicContact CG1-CB 4.39Å; I294-E332 PolarHBondContact N-O 3.46Å; I294-E332 VanDerWaalsContact N-O 3.14Å; I294-L334 HydrophobicContact CG1-CD1 4.11Å; I294-L334 HydrophobicContact CG1-CG 4.31Å; I294-F341 HydrophobicContact CD1-CE1 3.99Å; I294-F341 HydrophobicContact CD1-CZ 3.88Å; I294-F341 HydrophobicContact CG1-CZ 4.38Å; I294-L349 HydrophobicContact CG1-CD1 4.37Å; I294-L349 HydrophobicContact CG2-CD2 3.76Å
295	E	93.5	Very high	87.1	Confident	28 Å²	28	51.6 Å²	51.6	13%	0.131	25%	0.253	C	S	.	.	H	α-helix	trans	-57	-48.1	174.1	173.9	170.2	153.3	0	0	112.2	T293 N297 L298 R299 M310 Y330 Q331	T293-E295 VanDerWaalsContact C-N 3.26Å; T293-E295 PolarHBondContact O-N 3.29Å; T293-E295 PolarHBondContact OG1-N 3.05Å; E295-N297 VanDerWaalsContact C-N 3.28Å; E295-N297 PolarHBondContact O-N 2.84Å; E295-L298 PolarHBondContact O-N 2.96Å; E295-R299 WeakPolarHBondContact O-CB 3.04Å; E295-R299 WeakPolarHBondContact O-CG 3.47Å; E295-R299 PolarHBondContact O-N 2.94Å; E295-R299 IonicContact OE1-CZ 2.78Å; E295-R299 IonicContact OE1-NE 3.98Å; E295-R299 IonicContact OE1-NH1 2.83Å; E295-R299 PolarHBondContact OE1-NH1 3.06Å; E295-R299 IonicContact OE1-NH2 3.57Å; E295-R299 PolarHBondContact OE1-NH2 2.94Å; E295-M310 HydrophobicContact CB-SD 4.31Å; E295-M310 HydrophobicContact CG-CE 3.88Å; E295-M310 HydrophobicContact CG-SD 3.88Å; E295-Y330 PolarHBondContact N-O 2.99Å; E295-Q331 PolarHBondContact OE2-NE2 3.47Å
296	D	90	Very high	87.7	Confident	74 Å²	74	52.4 Å²	52.4	40%	0.396	26%	0.262	S	S	.	.	H	α-helix	trans	-58.6	-42.7	176.4	-64.4	-51.3	0	0	0	111.1	T293 R299 Y300	T293-D296 WeakPolarHBondContact CB-OD2 3.23Å; T293-D296 PolarHBondContact N-OD2 3.44Å; T293-D296 PolarHBondContact O-N 3.48Å; T293-D296 PolarHBondContact OG1-N 2.93Å; T293-D296 PolarHBondContact OG1-OD2 2.78Å; D296-R299 PolarHBondContact O-N 3.27Å; D296-Y300 WeakPolarHBondContact O-CD2 3.37Å; D296-Y300 PolarHBondContact O-N 3.45Å
297	N	91.8	Very high	88.1	Confident	4 Å²	4	47.7 Å²	47.7	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-65.1	-42.4	178.6	-89.1	-95.5	0	0	0	112.9	L289 F290 T293 I294 E295 R299 Y300 L334 R353	L289-N297 WeakPolarHBondContact CA-OD1 3.29Å; F290-N297 PolarHBondContact N-OD1 3.39Å; F290-N297 PolarHBondContact O-ND2 3.36Å; T293-N297 PolarHBondContact O-N 3.45Å; T293-N297 PolarHBondContact O-ND2 3.11Å; I294-N297 PolarHBondContact O-N 3.44Å; E295-N297 VanDerWaalsContact C-N 3.28Å; E295-N297 PolarHBondContact O-N 2.84Å; N297-R299 VanDerWaalsContact C-N 3.35Å; N297-Y300 PolarHBondContact O-N 2.9Å; N297-L334 HydrophobicContact CB-CD1 3.97Å; N297-L334 WeakPolarHBondContact ND2-CD1 3.31Å; N297-R353 WeakPolarHBondContact O-CD 3.37Å; N297-R353 WeakPolarHBondContact O-CG 3.19Å
298	L	92.2	Very high	88.6	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-67	-36.7	175.7	-66.3	179.1	0	0	0	111.7	I294 E295 Y300 G301 M310 Y330 A352 R353 I356	I294-L298 HydrophobicContact CG2-CD1 4.2Å; I294-L298 HydrophobicContact CG2-CG 4.35Å; I294-L298 WeakPolarHBondContact O-CG 3.46Å; I294-L298 PolarHBondContact O-N 3.43Å; E295-L298 PolarHBondContact O-N 2.96Å; L298-Y300 PolarHBondContact O-N 2.9Å; L298-G301 PolarHBondContact O-N 3.32Å; L298-M310 HydrophobicContact CB-CG 4.14Å; L298-M310 HydrophobicContact CB-SD 4.09Å; L298-M310 HydrophobicContact CD1-CB 3.82Å; L298-M310 HydrophobicContact CD1-CG 4.02Å; L298-M310 HydrophobicContact CD1-SD 4.29Å; L298-Y330 HydrophobicContact CD1-CD1 4.02Å; L298-Y330 HydrophobicContact CD1-CE1 3.85Å; L298-A352 HydrophobicContact CD2-CB 3.58Å; L298-R353 HydrophobicContact CD2-CB 4.43Å; L298-I356 HydrophobicContact CB-CD1 4.39Å
299	R	92.5	Very high	89.2	Confident	89 Å²	89	50 Å²	50	34%	0.336	26%	0.262	S	S	.	.	H	α-helix	trans	-66.3	-12.1	177.2	-78.6	-174.7	174.4	146.4	12.4	115.2	E295 D296 N297 G301 K302 K303 A305 M310	E295-R299 WeakPolarHBondContact O-CB 3.04Å; E295-R299 WeakPolarHBondContact O-CG 3.47Å; E295-R299 PolarHBondContact O-N 2.94Å; E295-R299 IonicContact OE1-CZ 2.78Å; E295-R299 IonicContact OE1-NE 3.98Å; E295-R299 IonicContact OE1-NH1 2.83Å; E295-R299 PolarHBondContact OE1-NH1 3.06Å; E295-R299 IonicContact OE1-NH2 3.57Å; E295-R299 PolarHBondContact OE1-NH2 2.94Å; D296-R299 PolarHBondContact O-N 3.27Å; N297-R299 VanDerWaalsContact C-N 3.35Å; R299-G301 VanDerWaalsContact C-N 3.26Å; R299-G301 PolarHBondContact O-N 3.47Å; R299-K302 WeakPolarHBondContact CA-O 3.37Å; R299-K302 CarbonylContact O-C 3.59Å; R299-K302 PolarHBondContact O-N 2.99Å; R299-K303 VanDerWaalsContact O-CA 3.25Å; R299-K303 WeakPolarHBondContact O-CA 3.43Å; R299-K303 PolarHBondContact O-N 3.15Å; R299-K303 VanDerWaalsContact O-N 3.13Å; R299-A305 HydrophobicContact CG-CB 4.23Å; R299-M310 HydrophobicContact CG-SD 4.5Å
300	Y	85.5	Confident	89.6	Confident	59 Å²	59	49.8 Å²	49.8	23%	0.231	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-31.2	166.5	-84.3	-90.2	0	0	0	112.8	F290 D296 N297 L298 Y617 R619	F290-Y300 HydrophobicContact CB-CE2 4.33Å; F290-Y300 HydrophobicContact CD2-CD1 4.25Å; F290-Y300 AromaticContact CD2-CD2 3.82Å; F290-Y300 HydrophobicContact CD2-CD2 3.82Å; F290-Y300 AromaticContact CD2-CE1 3.84Å; F290-Y300 HydrophobicContact CD2-CE1 3.84Å; F290-Y300 AromaticContact CD2-CE2 3.37Å; F290-Y300 HydrophobicContact CD2-CE2 3.37Å; F290-Y300 HydrophobicContact CD2-CG 4.24Å; F290-Y300 AromaticContact CD2-CZ 3.37Å; F290-Y300 AromaticContact CE2-CD1 3.69Å; F290-Y300 HydrophobicContact CE2-CD1 3.69Å; F290-Y300 HydrophobicContact CE2-CD2 4.11Å; F290-Y300 AromaticContact CE2-CE1 3.34Å; F290-Y300 HydrophobicContact CE2-CE1 3.34Å; F290-Y300 AromaticContact CE2-CE2 3.81Å; F290-Y300 HydrophobicContact CE2-CE2 3.81Å; F290-Y300 HydrophobicContact CE2-CG 4.06Å; F290-Y300 AromaticContact CE2-CZ 3.39Å; F290-Y300 HydrophobicContact CG-CE2 4.04Å; F290-Y300 AromaticContact CG-CZ 3.95Å; F290-Y300 HydrophobicContact CZ-CD1 4.48Å; F290-Y300 AromaticContact CZ-CE1 3.84Å; F290-Y300 HydrophobicContact CZ-CE1 3.84Å; D296-Y300 WeakPolarHBondContact O-CD2 3.37Å; D296-Y300 PolarHBondContact O-N 3.45Å; N297-Y300 PolarHBondContact O-N 2.9Å; L298-Y300 PolarHBondContact O-N 2.9Å; Y300-Y617 HydrophobicContact CD1-CD1 4.11Å; Y300-Y617 AromaticContact CD1-CD2 3.7Å; Y300-Y617 HydrophobicContact CD1-CD2 3.7Å; Y300-Y617 HydrophobicContact CD1-CE2 4.3Å; Y300-Y617 AromaticContact CD1-CG 3.62Å; Y300-Y617 HydrophobicContact CD1-CG 3.62Å; Y300-Y617 HydrophobicContact CE1-CD2 4.35Å; Y300-Y617 HydrophobicContact CE1-CG 4.38Å; Y300-Y617 HydrophobicContact CG-CD2 4.38Å; Y300-Y617 HydrophobicContact CG-CG 4.47Å; Y300-R619 HydrophobicContact CE1-CG 4.12Å
301	G	85.7	Confident	90	Very high	9 Å²	9	52.3 Å²	52.3	9%	0.093	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-41.7	174.2	0	0	0	0	0	112.7	L298 R299 R353 R357	L298-G301 PolarHBondContact O-N 3.32Å; R299-G301 VanDerWaalsContact C-N 3.26Å; R299-G301 PolarHBondContact O-N 3.47Å; G301-R353 WeakPolarHBondContact CA-O 3.43Å; G301-R357 WeakPolarHBondContact O-CB 3.38Å; G301-R357 WeakPolarHBondContact O-CG 3.26Å
302	K	89.4	Confident	90.5	Very high	78 Å²	78	52.5 Å²	52.5	34%	0.339	27%	0.269	S	S	.	.			trans	-145.7	107.2	177.7	-178.8	179.9	-175.9	-180	0	110	R299 N304 A305 E309 I356	R299-K302 WeakPolarHBondContact CA-O 3.37Å; R299-K302 CarbonylContact O-C 3.59Å; R299-K302 PolarHBondContact O-N 2.99Å; K302-N304 PolarHBondContact O-N 3.47Å; K302-N304 VanDerWaalsContact O-N 3.08Å; K302-A305 HydrophobicContact CB-CB 4.14Å; K302-A305 HydrophobicContact CD-CB 4.44Å; K302-A305 HydrophobicContact CG-CB 4.32Å; K302-A305 VanDerWaalsContact O-CB 3.24Å; K302-A305 WeakPolarHBondContact O-CB 3.37Å; K302-A305 PolarHBondContact O-N 2.71Å; K302-E309 IonicContact NZ-OE1 2.88Å; K302-E309 PolarHBondContact NZ-OE1 3.45Å; K302-E309 IonicContact NZ-OE2 2.75Å; K302-E309 PolarHBondContact NZ-OE2 3.34Å; K302-I356 HydrophobicContact CB-CG2 4.28Å
303	K	84.3	Confident	90.7	Very high	157 Å²	157	51.5 Å²	51.5	68%	0.683	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-37	-171.8	-171.7	176.8	179.5	177.2	0	114.3	R299	R299-K303 VanDerWaalsContact O-CA 3.25Å; R299-K303 WeakPolarHBondContact O-CA 3.43Å; R299-K303 PolarHBondContact O-N 3.15Å; R299-K303 VanDerWaalsContact O-N 3.13Å
304	N	86.9	Confident	90.7	Very high	132 Å²	132	50.8 Å²	50.8	71%	0.706	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	27.7	-178.5	-56.8	-3.3	0	0	0	111.8	K302 T306	K302-N304 PolarHBondContact O-N 3.47Å; K302-N304 VanDerWaalsContact O-N 3.08Å; N304-T306 PolarHBondContact O-N 3.05Å
305	A	89.8	Confident	90.7	Very high	3 Å²	3	55.2 Å²	55.2	3%	0.025	28%	0.275	C	S	.	.			trans	-56.9	130.7	179.4	0	0	0	0	0	111.3	R299 K302 E309 M310 I356	R299-A305 HydrophobicContact CG-CB 4.23Å; K302-A305 HydrophobicContact CB-CB 4.14Å; K302-A305 HydrophobicContact CD-CB 4.44Å; K302-A305 HydrophobicContact CG-CB 4.32Å; K302-A305 VanDerWaalsContact O-CB 3.24Å; K302-A305 WeakPolarHBondContact O-CB 3.37Å; K302-A305 PolarHBondContact O-N 2.71Å; A305-E309 WeakPolarHBondContact CA-OE2 3.5Å; A305-M310 HydrophobicContact CB-CG 4.1Å; A305-I356 HydrophobicContact CB-CD1 3.52Å; A305-I356 HydrophobicContact CB-CG1 4.21Å
306	T	92.5	Very high	90.6	Very high	75 Å²	75	54.1 Å²	54.1	46%	0.46	27%	0.27	S	S	.	.			trans	-79.8	161.2	174.2	68.1	0	0	0	0	110.9	N304 A308 E309 M310	N304-T306 PolarHBondContact O-N 3.05Å; T306-A308 VanDerWaalsContact C-N 3.27Å; T306-A308 PolarHBondContact O-N 2.92Å; T306-E309 PolarHBondContact N-OE2 2.75Å; T306-E309 VanDerWaalsContact N-OE2 3.07Å; T306-E309 PolarHBondContact O-N 3.29Å; T306-E309 VanDerWaalsContact O-N 3.07Å; T306-E309 WeakPolarHBondContact OG1-CG 3.21Å; T306-E309 PolarHBondContact OG1-N 2.99Å; T306-M310 PolarHBondContact O-N 3.5Å
307	Q	90.1	Very high	90.7	Very high	76 Å²	76	50.6 Å²	50.6	36%	0.355	25%	0.251	S	S	.	.	H	α-helix	trans	-53.7	-43.7	176.4	-174.9	60.5	26.4	0	0	112.3	E309 M310 E311 Y330	Q307-E309 VanDerWaalsContact C-N 3.34Å; Q307-E309 PolarHBondContact O-N 2.83Å; Q307-M310 PolarHBondContact O-N 3.08Å; Q307-E311 WeakPolarHBondContact CG-OE1 3.33Å; Q307-E311 PolarHBondContact NE2-OE1 3.43Å; Q307-E311 WeakPolarHBondContact O-CG 3.44Å; Q307-E311 PolarHBondContact O-N 3.03Å; Q307-Y330 VanDerWaalsContact NE2-CE2 3.35Å
308	A	91.4	Very high	90.6	Very high	63 Å²	63	53.5 Å²	53.5	52%	0.521	26%	0.264	S	S	.	.	H	α-helix	trans	-64.8	-34.2	177.8	0	0	0	0	0	113.3	T306 Q312	T306-A308 VanDerWaalsContact C-N 3.27Å; T306-A308 PolarHBondContact O-N 2.92Å; A308-Q312 WeakPolarHBondContact O-CB 3.42Å; A308-Q312 PolarHBondContact O-N 3.47Å
309	E	92.1	Very high	90.6	Very high	50 Å²	50	53.4 Å²	53.4	23%	0.234	26%	0.264	C	S	.	.	H	α-helix	trans	-71.2	-35.7	175.1	-69.7	174.7	148.1	0	0	111.8	K302 A305 T306 Q307 A313 I356	K302-E309 IonicContact NZ-OE1 2.88Å; K302-E309 PolarHBondContact NZ-OE1 3.45Å; K302-E309 IonicContact NZ-OE2 2.75Å; K302-E309 PolarHBondContact NZ-OE2 3.34Å; A305-E309 WeakPolarHBondContact CA-OE2 3.5Å; T306-E309 PolarHBondContact N-OE2 2.75Å; T306-E309 VanDerWaalsContact N-OE2 3.07Å; T306-E309 PolarHBondContact O-N 3.29Å; T306-E309 VanDerWaalsContact O-N 3.07Å; T306-E309 WeakPolarHBondContact OG1-CG 3.21Å; T306-E309 PolarHBondContact OG1-N 2.99Å; Q307-E309 VanDerWaalsContact C-N 3.34Å; Q307-E309 PolarHBondContact O-N 2.83Å; E309-A313 VanDerWaalsContact O-CB 3.28Å; E309-A313 WeakPolarHBondContact O-CB 3.16Å; E309-A313 PolarHBondContact O-N 2.98Å; E309-I356 HydrophobicContact CB-CD1 4.37Å; E309-I356 HydrophobicContact CB-CG1 4.17Å
310	M	93.8	Very high	90.5	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-67.5	-41.1	173.7	-67.1	-171.6	-61.6	0	0	111.6	E295 L298 R299 A305 T306 Q307 A313 A314 Y330 I356	E295-M310 HydrophobicContact CB-SD 4.31Å; E295-M310 HydrophobicContact CG-CE 3.88Å; E295-M310 HydrophobicContact CG-SD 3.88Å; L298-M310 HydrophobicContact CB-CG 4.14Å; L298-M310 HydrophobicContact CB-SD 4.09Å; L298-M310 HydrophobicContact CD1-CB 3.82Å; L298-M310 HydrophobicContact CD1-CG 4.02Å; L298-M310 HydrophobicContact CD1-SD 4.29Å; R299-M310 HydrophobicContact CG-SD 4.5Å; A305-M310 HydrophobicContact CB-CG 4.1Å; T306-M310 PolarHBondContact O-N 3.5Å; Q307-M310 PolarHBondContact O-N 3.08Å; M310-A313 PolarHBondContact O-N 2.84Å; M310-A314 VanDerWaalsContact O-CB 3.22Å; M310-A314 WeakPolarHBondContact O-CB 3.43Å; M310-A314 PolarHBondContact O-N 3.15Å; M310-Y330 HydrophobicContact CB-CD1 4.48Å; M310-Y330 HydrophobicContact CB-CE1 4.11Å; M310-I356 HydrophobicContact CB-CD1 4.27Å; M310-I356 HydrophobicContact CG-CD1 3.57Å
311	E	93.5	Very high	90.5	Very high	92 Å²	92	54.9 Å²	54.9	43%	0.43	28%	0.283	S	S	.	.	H	α-helix	trans	-64.7	-46.2	174.9	-74.2	164.5	-172.7	0	0	112.2	Q307 A313 A314 E315 Y330	Q307-E311 WeakPolarHBondContact CG-OE1 3.33Å; Q307-E311 PolarHBondContact NE2-OE1 3.43Å; Q307-E311 WeakPolarHBondContact O-CG 3.44Å; Q307-E311 PolarHBondContact O-N 3.03Å; E311-A313 PolarHBondContact O-N 3.08Å; E311-A314 PolarHBondContact O-N 3.17Å; E311-E315 WeakPolarHBondContact O-CB 3.4Å; E311-E315 PolarHBondContact O-N 3.32Å; E311-Y330 WeakPolarHBondContact CA-OH 3.48Å; E311-Y330 HydrophobicContact CG-CE2 3.94Å; E311-Y330 WeakPolarHBondContact CG-OH 3.23Å
312	Q	92.5	Very high	90.7	Very high	73 Å²	73	55 Å²	55	34%	0.341	28%	0.281	S	S	.	.	H	α-helix	trans	-60.1	-45.6	175	-173.3	-176.8	0.9	0	0	111.4	A308 E315 I316 R358	A308-Q312 WeakPolarHBondContact O-CB 3.42Å; A308-Q312 PolarHBondContact O-N 3.47Å; Q312-E315 PolarHBondContact O-N 3.16Å; Q312-I316 HydrophobicContact CG-CD1 3.98Å; Q312-I316 VanDerWaalsContact O-CG1 3.31Å; Q312-I316 WeakPolarHBondContact O-CG1 3.3Å; Q312-I316 PolarHBondContact O-N 3.35Å; Q312-R358 VanDerWaalsContact NE2-NH2 3.17Å; Q312-R358 VanDerWaalsContact OE1-NH2 3.09Å
313	A	92.5	Very high	90.8	Very high	3 Å²	3	51.3 Å²	51.3	3%	0.025	27%	0.265	C	S	.	.	H	α-helix	trans	-65.8	-38.7	178.8	0	0	0	0	0	112.4	E309 M310 E311 A317 A352 I356	E309-A313 VanDerWaalsContact O-CB 3.28Å; E309-A313 WeakPolarHBondContact O-CB 3.16Å; E309-A313 PolarHBondContact O-N 2.98Å; M310-A313 PolarHBondContact O-N 2.84Å; E311-A313 PolarHBondContact O-N 3.08Å; A313-A317 WeakPolarHBondContact O-CB 3.35Å; A313-A317 PolarHBondContact O-N 2.89Å; A313-A352 HydrophobicContact CB-CB 4.29Å; A313-I356 HydrophobicContact CB-CB 3.77Å; A313-I356 HydrophobicContact CB-CD1 4.31Å; A313-I356 HydrophobicContact CB-CG1 4.07Å
314	A	93.2	Very high	90.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-67.2	-36.2	174.4	0	0	0	0	0	112.5	M310 E311 Q318 A319 A320 I323 Y330	M310-A314 VanDerWaalsContact O-CB 3.22Å; M310-A314 WeakPolarHBondContact O-CB 3.43Å; M310-A314 PolarHBondContact O-N 3.15Å; E311-A314 PolarHBondContact O-N 3.17Å; A314-Q318 PolarHBondContact O-N 3.27Å; A314-A319 HydrophobicContact CB-CB 4.23Å; A314-A319 WeakPolarHBondContact O-CA 3.27Å; A314-A319 PolarHBondContact O-N 3.36Å; A314-A320 HydrophobicContact CB-CB 4.35Å; A314-A320 PolarHBondContact O-N 3.3Å; A314-A320 VanDerWaalsContact O-N 3.12Å; A314-I323 HydrophobicContact CB-CD1 3.84Å; A314-Y330 HydrophobicContact CB-CE1 4.49Å
315	E	91.8	Very high	90.9	Very high	93 Å²	93	48.7 Å²	48.7	44%	0.435	26%	0.261	S	S	.	.	H	α-helix	trans	-66.7	-46.6	174.2	-164	-155.5	139.8	0	0	111	E311 Q312 A317 Q318 R382	E311-E315 WeakPolarHBondContact O-CB 3.4Å; E311-E315 PolarHBondContact O-N 3.32Å; Q312-E315 PolarHBondContact O-N 3.16Å; E315-A317 VanDerWaalsContact C-N 3.32Å; E315-A317 PolarHBondContact O-N 3.22Å; E315-Q318 PolarHBondContact O-N 3.09Å; E315-Q318 VanDerWaalsContact O-N 3.08Å; E315-Q318 PolarHBondContact O-NE2 3.3Å; E315-R382 IonicContact OE1-CZ 3.35Å; E315-R382 IonicContact OE1-NE 2.69Å; E315-R382 IonicContact OE1-NH2 3.79Å; E315-R382 PolarHBondContact OE1-NH2 3.03Å
316	I	91	Very high	90.8	Very high	6 Å²	6	50.8 Å²	50.8	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-59.2	-44.8	177.8	-67.5	164	0	0	0	110.8	Q312 Q318 V355 R382 L383 E386	Q312-I316 HydrophobicContact CG-CD1 3.98Å; Q312-I316 VanDerWaalsContact O-CG1 3.31Å; Q312-I316 WeakPolarHBondContact O-CG1 3.3Å; Q312-I316 PolarHBondContact O-N 3.35Å; I316-Q318 PolarHBondContact O-N 3.29Å; I316-V355 HydrophobicContact CB-CG1 4.26Å; I316-V355 HydrophobicContact CD1-CG1 3.81Å; I316-V355 HydrophobicContact CG2-CG1 4.02Å; I316-V355 HydrophobicContact CG2-CG2 4.32Å; I316-R382 HydrophobicContact CB-CG 4.41Å; I316-R382 HydrophobicContact CG1-CG 4.39Å; I316-R382 HydrophobicContact CG2-CG 4.32Å; I316-L383 HydrophobicContact CG2-CD2 3.88Å; I316-L383 HydrophobicContact CG2-CG 4.43Å; I316-E386 HydrophobicContact CD1-CB 4.4Å; I316-E386 HydrophobicContact CD1-CG 3.97Å
317	A	91.2	Very high	90.1	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	11	178.7	0	0	0	0	0	114.7	A313 E315 A319 R348 I351 A352 L379	A313-A317 WeakPolarHBondContact O-CB 3.35Å; A313-A317 PolarHBondContact O-N 2.89Å; E315-A317 VanDerWaalsContact C-N 3.32Å; E315-A317 PolarHBondContact O-N 3.22Å; A317-A319 PolarHBondContact O-N 2.9Å; A317-A319 VanDerWaalsContact O-N 3.1Å; A317-R348 VanDerWaalsContact CB-O 3.24Å; A317-R348 WeakPolarHBondContact CB-O 3.33Å; A317-R348 VanDerWaalsContact O-CB 3.31Å; A317-R348 WeakPolarHBondContact O-CB 3.43Å; A317-R348 WeakPolarHBondContact O-CD 3.46Å; A317-R348 VanDerWaalsContact O-CG 3.25Å; A317-R348 WeakPolarHBondContact O-CG 3.45Å; A317-I351 HydrophobicContact CB-CB 4.13Å; A317-I351 HydrophobicContact CB-CG2 3.85Å; A317-A352 HydrophobicContact CB-CB 3.73Å; A317-L379 VanDerWaalsContact O-CD1 3.29Å; A317-L379 WeakPolarHBondContact O-CD1 3.41Å
318	Q	91.4	Very high	89.9	Confident	64 Å²	64	54.8 Å²	54.8	30%	0.299	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	30.3	-179.2	-54.8	-67.5	-86.6	0	0	113.4	A314 E315 I316 R348 T375 L379	A314-Q318 PolarHBondContact O-N 3.27Å; E315-Q318 PolarHBondContact O-N 3.09Å; E315-Q318 VanDerWaalsContact O-N 3.08Å; E315-Q318 PolarHBondContact O-NE2 3.3Å; I316-Q318 PolarHBondContact O-N 3.29Å; Q318-R348 WeakPolarHBondContact O-CD 3.48Å; Q318-R348 PolarHBondContact O-NE 3.07Å; Q318-T375 HydrophobicContact CB-CG2 4.2Å; Q318-L379 HydrophobicContact CG-CB 3.98Å; Q318-L379 HydrophobicContact CG-CD1 4.5Å; Q318-L379 HydrophobicContact CG-CG 4.5Å
319	A	91.5	Very high	89.9	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.276	C	S	.	.			trans	-97.1	-24.1	-179.3	0	0	0	0	0	114	A314 A317 E321 F322 I323 R348 L349	A314-A319 HydrophobicContact CB-CB 4.23Å; A314-A319 WeakPolarHBondContact O-CA 3.27Å; A314-A319 PolarHBondContact O-N 3.36Å; A317-A319 PolarHBondContact O-N 2.9Å; A317-A319 VanDerWaalsContact O-N 3.1Å; A319-E321 VanDerWaalsContact C-N 3.28Å; A319-E321 PolarHBondContact O-N 2.88Å; A319-F322 VanDerWaalsContact CA-CE1 3.4Å; A319-F322 HydrophobicContact CB-CD1 4.31Å; A319-F322 HydrophobicContact CB-CE1 3.55Å; A319-F322 HydrophobicContact CB-CZ 3.98Å; A319-F322 VanDerWaalsContact O-CD1 3.31Å; A319-F322 WeakPolarHBondContact O-CD1 3.32Å; A319-F322 PolarHBondContact O-N 2.9Å; A319-I323 HydrophobicContact CB-CD1 3.92Å; A319-I323 HydrophobicContact CB-CG1 4.49Å; A319-I323 VanDerWaalsContact O-CG1 3.32Å; A319-I323 WeakPolarHBondContact O-CG1 3.43Å; A319-I323 PolarHBondContact O-N 3.26Å; A319-R348 HydrophobicContact CB-CB 4.11Å; A319-L349 HydrophobicContact CB-CD2 4.45Å
320	A	90.7	Very high	89.9	Confident	37 Å²	37	51.8 Å²	51.8	31%	0.306	27%	0.271	S	S	.	.	H	α-helix	trans	-51.7	-43.1	-174	0	0	0	0	0	113.6	A314 I323 S324	A314-A320 HydrophobicContact CB-CB 4.35Å; A314-A320 PolarHBondContact O-N 3.3Å; A314-A320 VanDerWaalsContact O-N 3.12Å; A320-I323 PolarHBondContact O-N 3.45Å; A320-S324 WeakPolarHBondContact O-CB 3.19Å; A320-S324 PolarHBondContact O-N 3.19Å; A320-S324 PolarHBondContact O-OG 3.09Å
321	E	86	Confident	89.8	Confident	141 Å²	141	56.4 Å²	56.4	66%	0.659	29%	0.293	S	S	*	.	H	α-helix	trans	-60.6	-52.2	-179.1	-173.7	-178.5	179.2	0	0	112.3	A319 I323 S324 Q325	A319-E321 VanDerWaalsContact C-N 3.28Å; A319-E321 PolarHBondContact O-N 2.88Å; E321-I323 PolarHBondContact O-N 2.91Å; E321-S324 PolarHBondContact O-N 3.35Å; E321-S324 PolarHBondContact O-OG 3.23Å; E321-Q325 WeakPolarHBondContact O-CG 3.24Å; E321-Q325 PolarHBondContact O-N 3.25Å
322	F	88.5	Confident	89.8	Confident	11 Å²	11	53.5 Å²	53.5	5%	0.048	28%	0.279	C	S	.	.	H	α-helix	trans	-75.1	-25.6	-178.7	81.6	-101	0	0	0	112.8	A319 Q325 K326 F341 Q345 R348 L349	A319-F322 VanDerWaalsContact CA-CE1 3.4Å; A319-F322 HydrophobicContact CB-CD1 4.31Å; A319-F322 HydrophobicContact CB-CE1 3.55Å; A319-F322 HydrophobicContact CB-CZ 3.98Å; A319-F322 VanDerWaalsContact O-CD1 3.31Å; A319-F322 WeakPolarHBondContact O-CD1 3.32Å; A319-F322 PolarHBondContact O-N 2.9Å; F322-Q325 PolarHBondContact O-N 2.9Å; F322-K326 WeakPolarHBondContact O-CG 3.38Å; F322-K326 PolarHBondContact O-N 3.08Å; F322-F341 HydrophobicContact CD2-CD1 4.36Å; F322-F341 HydrophobicContact CD2-CE1 4.23Å; F322-F341 AromaticContact CE2-CD1 3.84Å; F322-F341 HydrophobicContact CE2-CD1 3.84Å; F322-F341 AromaticContact CE2-CE1 3.82Å; F322-F341 HydrophobicContact CE2-CE1 3.82Å; F322-Q345 HydrophobicContact CD1-CG 4Å; F322-Q345 HydrophobicContact CD2-CB 4.35Å; F322-Q345 HydrophobicContact CD2-CG 3.81Å; F322-Q345 HydrophobicContact CE1-CB 4.15Å; F322-Q345 HydrophobicContact CE1-CG 3.95Å; F322-Q345 HydrophobicContact CE2-CB 3.83Å; F322-Q345 HydrophobicContact CE2-CG 3.8Å; F322-Q345 HydrophobicContact CG-CG 3.92Å; F322-Q345 HydrophobicContact CZ-CB 3.69Å; F322-Q345 HydrophobicContact CZ-CG 3.85Å; F322-R348 HydrophobicContact CE1-CB 4.07Å; F322-L349 HydrophobicContact CE2-CD1 4.39Å; F322-L349 HydrophobicContact CE2-CG 4.45Å; F322-L349 HydrophobicContact CZ-CD1 4.34Å; F322-L349 HydrophobicContact CZ-CD2 4.23Å; F322-L349 HydrophobicContact CZ-CG 3.94Å
323	I	91.3	Very high	89.5	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-65	-44.3	170.5	-65.3	168.7	0	0	0	109.4	I294 A314 A319 A320 E321 Q325 K326 Y330 L349	I294-I323 HydrophobicContact CD1-CG1 4.15Å; I294-I323 HydrophobicContact CD1-CG2 4.45Å; I294-I323 HydrophobicContact CG2-CD1 4.21Å; A314-I323 HydrophobicContact CB-CD1 3.84Å; A319-I323 HydrophobicContact CB-CD1 3.92Å; A319-I323 HydrophobicContact CB-CG1 4.49Å; A319-I323 VanDerWaalsContact O-CG1 3.32Å; A319-I323 WeakPolarHBondContact O-CG1 3.43Å; A319-I323 PolarHBondContact O-N 3.26Å; A320-I323 PolarHBondContact O-N 3.45Å; E321-I323 PolarHBondContact O-N 2.91Å; I323-Q325 PolarHBondContact O-N 3.22Å; I323-K326 WeakPolarHBondContact O-CB 3.47Å; I323-K326 PolarHBondContact O-N 2.99Å; I323-Y330 HydrophobicContact CD1-CE1 4.04Å; I323-Y330 HydrophobicContact CG2-CD1 4.21Å; I323-Y330 HydrophobicContact CG2-CD2 4.17Å; I323-Y330 HydrophobicContact CG2-CE1 4.13Å; I323-Y330 HydrophobicContact CG2-CE2 4.09Å; I323-Y330 HydrophobicContact CG2-CG 4.21Å; I323-L349 HydrophobicContact CD1-CD2 3.89Å; I323-L349 HydrophobicContact CG1-CD2 4.38Å
324	S	88.3	Confident	89.2	Confident	96 Å²	96	55.7 Å²	55.7	67%	0.671	29%	0.289	S	S	*	.	H	α-helix	trans	-65.4	-23.8	179	73.6	0	0	0	0	114	A320 E321	A320-S324 WeakPolarHBondContact O-CB 3.19Å; A320-S324 PolarHBondContact O-N 3.19Å; A320-S324 PolarHBondContact O-OG 3.09Å; E321-S324 PolarHBondContact O-N 3.35Å; E321-S324 PolarHBondContact O-OG 3.23Å
325	Q	86.8	Confident	88.6	Confident	137 Å²	137	57.3 Å²	57.3	64%	0.64	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-12	174.2	-68.7	169.5	2.7	0	0	113.6	E321 F322 I323	E321-Q325 WeakPolarHBondContact O-CG 3.24Å; E321-Q325 PolarHBondContact O-N 3.25Å; F322-Q325 PolarHBondContact O-N 2.9Å; I323-Q325 PolarHBondContact O-N 3.22Å
326	K	87.5	Confident	87.9	Confident	48 Å²	48	56.4 Å²	56.4	21%	0.209	30%	0.298	C	S	.	.	S	Bend	trans	-81.2	137.2	177.9	-70.9	-67.9	-178.3	159.6	0	110.9	F322 I323 K328 G329 E332 N340 F341	F322-K326 WeakPolarHBondContact O-CG 3.38Å; F322-K326 PolarHBondContact O-N 3.08Å; I323-K326 WeakPolarHBondContact O-CB 3.47Å; I323-K326 PolarHBondContact O-N 2.99Å; K326-K328 PolarHBondContact O-N 3.37Å; K326-K328 VanDerWaalsContact O-N 3.07Å; K326-G329 PolarHBondContact O-N 2.8Å; K326-E332 HydrophobicContact CB-CB 4Å; K326-E332 HydrophobicContact CB-CG 3.83Å; K326-E332 HydrophobicContact CD-CG 4Å; K326-E332 HydrophobicContact CG-CB 4.45Å; K326-E332 HydrophobicContact CG-CG 4.02Å; K326-N340 PolarHBondContact NZ-O 3.35Å; K326-F341 HydrophobicContact CD-CE1 4.25Å; K326-F341 HydrophobicContact CD-CZ 4.07Å; K326-F341 VanDerWaalsContact CE-CE1 3.4Å; K326-F341 HydrophobicContact CG-CE1 4.19Å; K326-F341 HydrophobicContact CG-CZ 4.18Å
327	P	77.6	Confident	87	Confident	121 Å²	121	57.4 Å²	57.4	79%	0.786	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-32.7	-174.4	-27.8	34.1	0	0	0	115.6	E332	P327-E332 WeakPolarHBondContact CD-OE2 3.14Å
328	K	86.2	Confident	86.1	Confident	113 Å²	113	57.4 Å²	57.4	49%	0.491	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	5	177.4	-57.6	-178.4	-178.5	-177.2	0	113.7	K326 Y330 Q331 E332 E333	K326-K328 PolarHBondContact O-N 3.37Å; K326-K328 VanDerWaalsContact O-N 3.07Å; K328-Y330 PolarHBondContact O-N 2.85Å; K328-Q331 VanDerWaalsContact CB-C 3.47Å; K328-Q331 HydrophobicContact CB-CB 4.1Å; K328-Q331 WeakPolarHBondContact CB-O 3.19Å; K328-Q331 WeakPolarHBondContact CD-O 3.21Å; K328-Q331 WeakPolarHBondContact O-CA 3.38Å; K328-Q331 WeakPolarHBondContact O-CB 3.32Å; K328-Q331 PolarHBondContact O-N 3.38Å; K328-E332 HydrophobicContact CB-CB 4.36Å; K328-E332 WeakPolarHBondContact CB-OE2 3.49Å; K328-E332 PolarHBondContact N-OE2 2.68Å; K328-E333 IonicContact NZ-OE1 3.67Å; K328-E333 PolarHBondContact NZ-OE1 2.8Å
329	G	90.5	Very high	85.4	Confident	18 Å²	18	58.6 Å²	58.6	19%	0.186	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	56	-123.3	-178.3	0	0	0	0	0	112.7	K326 Q331 E332	K326-G329 PolarHBondContact O-N 2.8Å; G329-Q331 PolarHBondContact O-N 2.78Å; G329-E332 VanDerWaalsContact O-CB 3.24Å; G329-E332 WeakPolarHBondContact O-CB 3.31Å; G329-E332 PolarHBondContact O-N 2.8Å; G329-E332 VanDerWaalsContact O-N 3.14Å
330	Y	91.8	Very high	84.9	Confident	33 Å²	33	61.7 Å²	61.7	13%	0.129	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-65	-19.7	175.3	-69	-84.1	0	0	0	114.1	I294 E295 L298 Q307 M310 E311 A314 I323 K328 E332	I294-Y330 WeakPolarHBondContact CB-O 3.44Å; I294-Y330 HydrophobicContact CG2-CD1 4.18Å; I294-Y330 PolarHBondContact N-O 3.3Å; E295-Y330 PolarHBondContact N-O 2.99Å; L298-Y330 HydrophobicContact CD1-CD1 4.02Å; L298-Y330 HydrophobicContact CD1-CE1 3.85Å; Q307-Y330 VanDerWaalsContact NE2-CE2 3.35Å; M310-Y330 HydrophobicContact CB-CD1 4.48Å; M310-Y330 HydrophobicContact CB-CE1 4.11Å; E311-Y330 WeakPolarHBondContact CA-OH 3.48Å; E311-Y330 HydrophobicContact CG-CE2 3.94Å; E311-Y330 WeakPolarHBondContact CG-OH 3.23Å; A314-Y330 HydrophobicContact CB-CE1 4.49Å; I323-Y330 HydrophobicContact CD1-CE1 4.04Å; I323-Y330 HydrophobicContact CG2-CD1 4.21Å; I323-Y330 HydrophobicContact CG2-CD2 4.17Å; I323-Y330 HydrophobicContact CG2-CE1 4.13Å; I323-Y330 HydrophobicContact CG2-CE2 4.09Å; I323-Y330 HydrophobicContact CG2-CG 4.21Å; K328-Y330 PolarHBondContact O-N 2.85Å; Y330-E332 VanDerWaalsContact C-N 3.3Å
331	Q	93	Very high	84.5	Confident	96 Å²	96	60.4 Å²	60.4	45%	0.449	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-91.5	10.5	176.8	-63.2	-73.4	-35.2	0	0	112.2	E295 K328 G329 E333	E295-Q331 PolarHBondContact OE2-NE2 3.47Å; K328-Q331 VanDerWaalsContact CB-C 3.47Å; K328-Q331 HydrophobicContact CB-CB 4.1Å; K328-Q331 WeakPolarHBondContact CB-O 3.19Å; K328-Q331 WeakPolarHBondContact CD-O 3.21Å; K328-Q331 WeakPolarHBondContact O-CA 3.38Å; K328-Q331 WeakPolarHBondContact O-CB 3.32Å; K328-Q331 PolarHBondContact O-N 3.38Å; G329-Q331 PolarHBondContact O-N 2.78Å; Q331-E333 PolarHBondContact O-N 2.93Å
332	E	91.9	Very high	84.3	Confident	32 Å²	32	56.8 Å²	56.8	15%	0.15	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-66.6	130	173.2	-167	75.9	-176	0	0	110.2	T293 I294 K326 P327 K328 G329 Y330 F341	T293-E332 WeakPolarHBondContact CA-O 3.36Å; I294-E332 HydrophobicContact CD1-CB 4.07Å; I294-E332 HydrophobicContact CG1-CB 4.39Å; I294-E332 PolarHBondContact N-O 3.46Å; I294-E332 VanDerWaalsContact N-O 3.14Å; K326-E332 HydrophobicContact CB-CB 4Å; K326-E332 HydrophobicContact CB-CG 3.83Å; K326-E332 HydrophobicContact CD-CG 4Å; K326-E332 HydrophobicContact CG-CB 4.45Å; K326-E332 HydrophobicContact CG-CG 4.02Å; P327-E332 WeakPolarHBondContact CD-OE2 3.14Å; K328-E332 HydrophobicContact CB-CB 4.36Å; K328-E332 WeakPolarHBondContact CB-OE2 3.49Å; K328-E332 PolarHBondContact N-OE2 2.68Å; G329-E332 VanDerWaalsContact O-CB 3.24Å; G329-E332 WeakPolarHBondContact O-CB 3.31Å; G329-E332 PolarHBondContact O-N 2.8Å; G329-E332 VanDerWaalsContact O-N 3.14Å; Y330-E332 VanDerWaalsContact C-N 3.3Å; E332-F341 HydrophobicContact CG-CE2 4.43Å; E332-F341 HydrophobicContact CG-CZ 3.99Å
333	E	87.7	Confident	84	Confident	117 Å²	117	58.3 Å²	58.3	55%	0.547	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	133	-179	-73.3	161.6	-138.1	0	0	110.8	G292 K328 Q331 N340	G292-E333 CarbonylContact O-C 3.46Å; G292-E333 WeakPolarHBondContact O-CA 3.08Å; K328-E333 IonicContact NZ-OE1 3.67Å; K328-E333 PolarHBondContact NZ-OE1 2.8Å; Q331-E333 PolarHBondContact O-N 2.93Å; E333-N340 PolarHBondContact O-ND2 3.41Å
334	L	84.9	Confident	83.6	Confident	5 Å²	5	58.8 Å²	58.8	3%	0.026	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	130.2	173.1	-70.1	162.7	0	0	0	108.2	L289 T291 G292 I294 N297 F341	L289-L334 HydrophobicContact CB-CD1 4.41Å; L289-L334 HydrophobicContact CD1-CD1 4.21Å; L289-L334 HydrophobicContact CD1-CD2 3.68Å; T291-L334 WeakPolarHBondContact CA-O 3.32Å; G292-L334 PolarHBondContact N-O 3.1Å; G292-L334 WeakPolarHBondContact O-CB 3.3Å; G292-L334 PolarHBondContact O-N 3.37Å; I294-L334 HydrophobicContact CG1-CD1 4.11Å; I294-L334 HydrophobicContact CG1-CG 4.31Å; N297-L334 HydrophobicContact CB-CD1 3.97Å; N297-L334 WeakPolarHBondContact ND2-CD1 3.31Å; L334-F341 HydrophobicContact CD2-CD2 3.35Å; L334-F341 HydrophobicContact CD2-CE2 3.33Å; L334-F341 HydrophobicContact CD2-CG 4.04Å; L334-F341 HydrophobicContact CD2-CZ 3.96Å; L334-F341 HydrophobicContact CG-CE2 4.27Å
335	A	81.9	Confident	83.7	Confident	34 Å²	34	55.9 Å²	55.9	28%	0.281	32%	0.32	S	S	.	.			trans	-79.7	176.9	171	0	0	0	0	0	111.5	G337 G338 S339 N340	A335-G337 PolarHBondContact O-N 2.84Å; A335-G338 VanDerWaalsContact O-CA 3.28Å; A335-G338 WeakPolarHBondContact O-CA 3.49Å; A335-G338 PolarHBondContact O-N 2.95Å; A335-S339 WeakPolarHBondContact CB-OG 3.48Å; A335-N340 PolarHBondContact N-OD1 2.95Å; A335-N340 VanDerWaalsContact N-OD1 3.08Å
336	E	75.6	Confident	83.8	Confident	74 Å²	74	51.4 Å²	51.4	35%	0.346	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-51.5	128.5	175.9	-173	-175.5	168.5	0	0	111.1	G338 S339 E606 T609	E336-G338 PolarHBondContact O-N 3.16Å; E336-S339 PolarHBondContact O-N 2.93Å; E336-E606 HydrophobicContact CG-CG 4.4Å; E336-T609 WeakPolarHBondContact OE1-CB 3.3Å; E336-T609 PolarHBondContact OE1-OG1 3.34Å; E336-T609 VanDerWaalsContact OE1-OG1 3.05Å
337	G	72.8	Confident	83.8	Confident	27 Å²	27	49.2 Å²	49.2	28%	0.278	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	60	11.4	-174.7	0	0	0	0	0	114.8	L289 A335 K346	L289-G337 WeakPolarHBondContact O-CA 3.49Å; L289-G337 PolarHBondContact O-N 3.02Å; A335-G337 PolarHBondContact O-N 2.84Å; G337-K346 WeakPolarHBondContact O-CD 3.4Å; G337-K346 WeakPolarHBondContact O-CE 3.5Å; G337-K346 PolarHBondContact O-NZ 3.01Å
338	G	73.4	Confident	84.5	Confident	0 Å²	0	45 Å²	45	0%	0	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	66.3	34	-172.6	0	0	0	0	0	114.6	A335 E336 N340 F341 K346	A335-G338 VanDerWaalsContact O-CA 3.28Å; A335-G338 WeakPolarHBondContact O-CA 3.49Å; A335-G338 PolarHBondContact O-N 2.95Å; E336-G338 PolarHBondContact O-N 3.16Å; G338-N340 PolarHBondContact O-N 3.27Å; G338-F341 PolarHBondContact O-N 3.19Å; G338-K346 WeakPolarHBondContact O-CE 3.5Å; G338-K346 PolarHBondContact O-NZ 3.03Å
339	S	75.6	Confident	84.8	Confident	88 Å²	88	39.8 Å²	39.8	62%	0.615	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-26.6	-174	63.2	0	0	0	0	115.8	A335 E336 F341	A335-S339 WeakPolarHBondContact CB-OG 3.48Å; E336-S339 PolarHBondContact O-N 2.93Å; S339-F341 VanDerWaalsContact C-N 3.26Å; S339-F341 PolarHBondContact O-N 3.37Å
340	N	80.5	Confident	84.8	Confident	66 Å²	66	39 Å²	39	35%	0.353	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	10	175.9	62.1	-35.9	0	0	0	115.5	K326 E333 A335 G338	K326-N340 PolarHBondContact NZ-O 3.35Å; E333-N340 PolarHBondContact O-ND2 3.41Å; A335-N340 PolarHBondContact N-OD1 2.95Å; A335-N340 VanDerWaalsContact N-OD1 3.08Å; G338-N340 PolarHBondContact O-N 3.27Å
341	F	82.3	Confident	84.8	Confident	9 Å²	9	37.5 Å²	37.5	4%	0.039	22%	0.22	C	C	.	.	S	Bend	trans	-130.5	146.9	176.6	-73.5	-107.9	0	0	0	110.7	I294 F322 K326 E332 L334 G338 S339 Q345 K346	I294-F341 HydrophobicContact CD1-CE1 3.99Å; I294-F341 HydrophobicContact CD1-CZ 3.88Å; I294-F341 HydrophobicContact CG1-CZ 4.38Å; F322-F341 HydrophobicContact CD2-CD1 4.36Å; F322-F341 HydrophobicContact CD2-CE1 4.23Å; F322-F341 AromaticContact CE2-CD1 3.84Å; F322-F341 HydrophobicContact CE2-CD1 3.84Å; F322-F341 AromaticContact CE2-CE1 3.82Å; F322-F341 HydrophobicContact CE2-CE1 3.82Å; K326-F341 HydrophobicContact CD-CE1 4.25Å; K326-F341 HydrophobicContact CD-CZ 4.07Å; K326-F341 VanDerWaalsContact CE-CE1 3.4Å; K326-F341 HydrophobicContact CG-CE1 4.19Å; K326-F341 HydrophobicContact CG-CZ 4.18Å; E332-F341 HydrophobicContact CG-CE2 4.43Å; E332-F341 HydrophobicContact CG-CZ 3.99Å; L334-F341 HydrophobicContact CD2-CD2 3.35Å; L334-F341 HydrophobicContact CD2-CE2 3.33Å; L334-F341 HydrophobicContact CD2-CG 4.04Å; L334-F341 HydrophobicContact CD2-CZ 3.96Å; L334-F341 HydrophobicContact CG-CE2 4.27Å; G338-F341 PolarHBondContact O-N 3.19Å; S339-F341 VanDerWaalsContact C-N 3.26Å; S339-F341 PolarHBondContact O-N 3.37Å; F341-Q345 HydrophobicContact CB-CB 4.14Å; F341-Q345 HydrophobicContact CD1-CB 4.11Å; F341-K346 HydrophobicContact CB-CG 4.37Å; F341-K346 WeakPolarHBondContact O-CE 3.3Å
342	S	83.1	Confident	84.8	Confident	66 Å²	66	32.9 Å²	32.9	46%	0.462	20%	0.199	S	C	.	.			trans	-70.7	157.8	179.4	72.1	0	0	0	0	112.3	G344 Q345 K346	S342-G344 VanDerWaalsContact C-N 3.28Å; S342-G344 PolarHBondContact O-N 2.96Å; S342-Q345 WeakPolarHBondContact O-CA 3.39Å; S342-Q345 WeakPolarHBondContact O-CB 3.17Å; S342-Q345 PolarHBondContact O-N 3.3Å; S342-Q345 WeakPolarHBondContact OG-CG 3.39Å; S342-Q345 PolarHBondContact OG-N 2.81Å; S342-K346 WeakPolarHBondContact O-CG 3.19Å; S342-K346 PolarHBondContact O-N 3.33Å
343	G	80.8	Confident	84.8	Confident	43 Å²	43	31.6 Å²	31.6	44%	0.443	19%	0.193	S	C	.	.	H	α-helix	trans	-52.3	-43.6	179.8	0	0	0	0	0	113.5	K346 Q347	G343-K346 WeakPolarHBondContact O-CB 3.08Å; G343-K346 PolarHBondContact O-N 2.86Å; G343-Q347 PolarHBondContact O-N 3.21Å
344	G	84.5	Confident	85	Confident	11 Å²	11	26.3 Å²	26.3	11%	0.113	17%	0.169	C	C	.	.	H	α-helix	trans	-64.6	-39.9	174.2	0	0	0	0	0	113.6	S342 K346 Q347 R348 A370	S342-G344 VanDerWaalsContact C-N 3.28Å; S342-G344 PolarHBondContact O-N 2.96Å; G344-K346 VanDerWaalsContact C-N 3.34Å; G344-K346 PolarHBondContact O-N 3.45Å; G344-Q347 PolarHBondContact O-N 2.96Å; G344-R348 WeakPolarHBondContact O-CG 3.25Å; G344-R348 PolarHBondContact O-N 2.91Å; G344-A370 WeakPolarHBondContact CA-O 3.26Å; G344-A370 PolarHBondContact N-O 2.92Å
345	Q	88.9	Confident	85.2	Confident	36 Å²	36	26.3 Å²	26.3	17%	0.168	17%	0.169	C	C	.	.	H	α-helix	trans	-62.3	-40.4	173.3	-72.6	171.7	-13	0	0	111.8	F322 F341 S342 R348 L349	F322-Q345 HydrophobicContact CD1-CG 4Å; F322-Q345 HydrophobicContact CD2-CB 4.35Å; F322-Q345 HydrophobicContact CD2-CG 3.81Å; F322-Q345 HydrophobicContact CE1-CB 4.15Å; F322-Q345 HydrophobicContact CE1-CG 3.95Å; F322-Q345 HydrophobicContact CE2-CB 3.83Å; F322-Q345 HydrophobicContact CE2-CG 3.8Å; F322-Q345 HydrophobicContact CG-CG 3.92Å; F322-Q345 HydrophobicContact CZ-CB 3.69Å; F322-Q345 HydrophobicContact CZ-CG 3.85Å; F341-Q345 HydrophobicContact CB-CB 4.14Å; F341-Q345 HydrophobicContact CD1-CB 4.11Å; S342-Q345 WeakPolarHBondContact O-CA 3.39Å; S342-Q345 WeakPolarHBondContact O-CB 3.17Å; S342-Q345 PolarHBondContact O-N 3.3Å; S342-Q345 WeakPolarHBondContact OG-CG 3.39Å; S342-Q345 PolarHBondContact OG-N 2.81Å; Q345-R348 PolarHBondContact O-N 3.45Å; Q345-L349 PolarHBondContact O-N 2.84Å
346	K	89.3	Confident	85.7	Confident	43 Å²	43	25.3 Å²	25.3	19%	0.187	16%	0.159	C	C	.	.	H	α-helix	trans	-61	-46.9	175.7	-61.9	178.6	-164.8	-159.2	0	111.8	A287 L289 G337 G338 F341 S342 G343 G344 L349 A350	A287-K346 HydrophobicContact CB-CB 3.86Å; L289-K346 HydrophobicContact CD1-CB 4.25Å; L289-K346 HydrophobicContact CD1-CG 4.02Å; L289-K346 HydrophobicContact CG-CB 4.35Å; L289-K346 HydrophobicContact CG-CG 4.38Å; G337-K346 WeakPolarHBondContact O-CD 3.4Å; G337-K346 WeakPolarHBondContact O-CE 3.5Å; G337-K346 PolarHBondContact O-NZ 3.01Å; G338-K346 WeakPolarHBondContact O-CE 3.5Å; G338-K346 PolarHBondContact O-NZ 3.03Å; F341-K346 HydrophobicContact CB-CG 4.37Å; F341-K346 WeakPolarHBondContact O-CE 3.3Å; S342-K346 WeakPolarHBondContact O-CG 3.19Å; S342-K346 PolarHBondContact O-N 3.33Å; G343-K346 WeakPolarHBondContact O-CB 3.08Å; G343-K346 PolarHBondContact O-N 2.86Å; G344-K346 VanDerWaalsContact C-N 3.34Å; G344-K346 PolarHBondContact O-N 3.45Å; K346-L349 PolarHBondContact O-N 2.86Å; K346-A350 PolarHBondContact O-N 3.05Å
347	Q	88.6	Confident	86.3	Confident	1 Å²	1	26 Å²	26	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-62.4	-43.9	177.2	-86.1	-64	4.5	0	0	111.9	P284 Q285 A287 G343 G344 L349 A350 I351 S367 A370 L371	P284-Q347 PolarHBondContact O-NE2 3.32Å; Q285-Q347 PolarHBondContact O-NE2 2.96Å; A287-Q347 HydrophobicContact CB-CB 4.31Å; A287-Q347 HydrophobicContact CB-CG 3.79Å; G343-Q347 PolarHBondContact O-N 3.21Å; G344-Q347 PolarHBondContact O-N 2.96Å; Q347-L349 VanDerWaalsContact C-N 3.32Å; Q347-L349 PolarHBondContact O-N 3.08Å; Q347-A350 PolarHBondContact O-N 3.47Å; Q347-A350 VanDerWaalsContact O-N 3.11Å; Q347-I351 WeakPolarHBondContact O-CB 3.37Å; Q347-I351 VanDerWaalsContact O-CG1 3.25Å; Q347-I351 WeakPolarHBondContact O-CG1 3.38Å; Q347-I351 PolarHBondContact O-N 2.9Å; Q347-S367 VanDerWaalsContact CG-O 3.24Å; Q347-S367 WeakPolarHBondContact CG-O 3.2Å; Q347-S367 PolarHBondContact NE2-O 3.28Å; Q347-A370 HydrophobicContact CG-CB 3.84Å; Q347-L371 HydrophobicContact CB-CD2 4.29Å
348	R	91.4	Very high	87.1	Confident	33 Å²	33	31.6 Å²	31.6	13%	0.125	17%	0.171	C	C	.	.	H	α-helix	trans	-59.9	-39	175.6	-67.9	-170.6	-61.7	-121.2	13.3	112.8	A317 Q318 A319 F322 G344 Q345 A352 L371 L379	A317-R348 VanDerWaalsContact CB-O 3.24Å; A317-R348 WeakPolarHBondContact CB-O 3.33Å; A317-R348 VanDerWaalsContact O-CB 3.31Å; A317-R348 WeakPolarHBondContact O-CB 3.43Å; A317-R348 WeakPolarHBondContact O-CD 3.46Å; A317-R348 VanDerWaalsContact O-CG 3.25Å; A317-R348 WeakPolarHBondContact O-CG 3.45Å; Q318-R348 WeakPolarHBondContact O-CD 3.48Å; Q318-R348 PolarHBondContact O-NE 3.07Å; A319-R348 HydrophobicContact CB-CB 4.11Å; F322-R348 HydrophobicContact CE1-CB 4.07Å; G344-R348 WeakPolarHBondContact O-CG 3.25Å; G344-R348 PolarHBondContact O-N 2.91Å; Q345-R348 PolarHBondContact O-N 3.45Å; R348-A352 WeakPolarHBondContact O-CB 3.46Å; R348-A352 PolarHBondContact O-N 3.06Å; R348-L371 HydrophobicContact CG-CD2 3.69Å; R348-L379 HydrophobicContact CG-CD1 4.19Å
349	L	93.2	Very high	87.9	Confident	3 Å²	3	31.9 Å²	31.9	2%	0.016	17%	0.173	C	C	.	.	H	α-helix	trans	-68.6	-38	172.7	-70.8	176.7	0	0	0	113.2	L289 I294 A319 F322 I323 Q345 K346 Q347 A352 R353	L289-L349 HydrophobicContact CD1-CB 4.21Å; L289-L349 HydrophobicContact CD1-CD1 3.62Å; L289-L349 HydrophobicContact CD2-CB 3.79Å; I294-L349 HydrophobicContact CG1-CD1 4.37Å; I294-L349 HydrophobicContact CG2-CD2 3.76Å; A319-L349 HydrophobicContact CB-CD2 4.45Å; F322-L349 HydrophobicContact CE2-CD1 4.39Å; F322-L349 HydrophobicContact CE2-CG 4.45Å; F322-L349 HydrophobicContact CZ-CD1 4.34Å; F322-L349 HydrophobicContact CZ-CD2 4.23Å; F322-L349 HydrophobicContact CZ-CG 3.94Å; I323-L349 HydrophobicContact CD1-CD2 3.89Å; I323-L349 HydrophobicContact CG1-CD2 4.38Å; Q345-L349 PolarHBondContact O-N 2.84Å; K346-L349 PolarHBondContact O-N 2.86Å; Q347-L349 VanDerWaalsContact C-N 3.32Å; Q347-L349 PolarHBondContact O-N 3.08Å; L349-A352 PolarHBondContact O-N 3.48Å; L349-R353 VanDerWaalsContact O-CB 3.28Å; L349-R353 WeakPolarHBondContact O-CB 3.21Å; L349-R353 PolarHBondContact O-N 3.18Å
350	A	90.6	Very high	88.6	Confident	3 Å²	3	29.4 Å²	29.4	3%	0.025	15%	0.152	C	C	.	.	H	α-helix	trans	-66.1	-38.8	175.5	0	0	0	0	0	112.3	I283 A287 K346 Q347 R353 A354	I283-A350 HydrophobicContact CG2-CB 4.24Å; A287-A350 HydrophobicContact CB-CB 3.8Å; K346-A350 PolarHBondContact O-N 3.05Å; Q347-A350 PolarHBondContact O-N 3.47Å; Q347-A350 VanDerWaalsContact O-N 3.11Å; A350-R353 PolarHBondContact O-N 3.5Å; A350-A354 PolarHBondContact O-N 3.46Å; A350-A354 VanDerWaalsContact O-N 3.07Å
351	I	91.8	Very high	89.2	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.5	-48	173.5	-66.3	164	0	0	0	110.1	I283 A317 Q347 R353 A354 V355 F364 L371 L379 L383	I283-I351 HydrophobicContact CG1-CG1 4.35Å; I283-I351 HydrophobicContact CG2-CG1 3.96Å; A317-I351 HydrophobicContact CB-CB 4.13Å; A317-I351 HydrophobicContact CB-CG2 3.85Å; Q347-I351 WeakPolarHBondContact O-CB 3.37Å; Q347-I351 VanDerWaalsContact O-CG1 3.25Å; Q347-I351 WeakPolarHBondContact O-CG1 3.38Å; Q347-I351 PolarHBondContact O-N 2.9Å; I351-R353 VanDerWaalsContact C-N 3.29Å; I351-R353 PolarHBondContact O-N 2.89Å; I351-A354 PolarHBondContact O-N 3.1Å; I351-V355 HydrophobicContact CG2-CG2 4.17Å; I351-V355 WeakPolarHBondContact O-CG2 3.28Å; I351-V355 PolarHBondContact O-N 3.33Å; I351-F364 HydrophobicContact CG1-CE1 4.42Å; I351-F364 HydrophobicContact CG2-CE1 4.43Å; I351-L371 HydrophobicContact CD1-CD1 4.27Å; I351-L379 HydrophobicContact CD1-CD1 3.96Å; I351-L379 HydrophobicContact CD1-CD2 4.02Å; I351-L379 HydrophobicContact CG2-CD2 4.42Å; I351-L383 HydrophobicContact CG2-CD1 4.48Å
352	A	93	Very high	89.7	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-56.5	-43.7	175	0	0	0	0	0	111.8	L298 A313 A317 R348 L349 A354 V355 I356	L298-A352 HydrophobicContact CD2-CB 3.58Å; A313-A352 HydrophobicContact CB-CB 4.29Å; A317-A352 HydrophobicContact CB-CB 3.73Å; R348-A352 WeakPolarHBondContact O-CB 3.46Å; R348-A352 PolarHBondContact O-N 3.06Å; L349-A352 PolarHBondContact O-N 3.48Å; A352-A354 VanDerWaalsContact C-N 3.27Å; A352-A354 PolarHBondContact O-N 2.83Å; A352-V355 PolarHBondContact O-N 2.86Å; A352-I356 WeakPolarHBondContact O-CB 3.36Å; A352-I356 PolarHBondContact O-N 3.06Å
353	R	92	Very high	90.1	Very high	5 Å²	5	22.8 Å²	22.8	2%	0.019	11%	0.112	C	C	.	.	H	α-helix	trans	-61.8	-27.9	174.6	-178.8	179.2	70.5	-170.4	5.3	113.4	Q288 N297 L298 G301 L349 A350 I351 I356 Y617	Q288-R353 PolarHBondContact O-NH1 3.5Å; Q288-R353 PolarHBondContact O-NH2 2.91Å; N297-R353 WeakPolarHBondContact O-CD 3.37Å; N297-R353 WeakPolarHBondContact O-CG 3.19Å; L298-R353 HydrophobicContact CD2-CB 4.43Å; G301-R353 WeakPolarHBondContact CA-O 3.43Å; L349-R353 VanDerWaalsContact O-CB 3.28Å; L349-R353 WeakPolarHBondContact O-CB 3.21Å; L349-R353 PolarHBondContact O-N 3.18Å; A350-R353 PolarHBondContact O-N 3.5Å; I351-R353 VanDerWaalsContact C-N 3.29Å; I351-R353 PolarHBondContact O-N 2.89Å; R353-I356 WeakPolarHBondContact O-CG2 3.1Å; R353-Y617 WeakPolarHBondContact CD-OH 3.42Å; R353-Y617 PolarHBondContact NE-OH 3.43Å
354	A	90.3	Very high	90.7	Very high	6 Å²	6	20.9 Å²	20.9	5%	0.05	9%	0.091	C	C	.	.	H	α-helix	trans	-82.4	-43.7	172.8	0	0	0	0	0	112.2	I283 A350 I351 A352 I356 R357	I283-A354 HydrophobicContact CD1-CB 3.49Å; I283-A354 VanDerWaalsContact CD1-CB 3.49Å; I283-A354 HydrophobicContact CG1-CB 3.63Å; A350-A354 PolarHBondContact O-N 3.46Å; A350-A354 VanDerWaalsContact O-N 3.07Å; I351-A354 PolarHBondContact O-N 3.1Å; A352-A354 VanDerWaalsContact C-N 3.27Å; A352-A354 PolarHBondContact O-N 2.83Å; A354-I356 PolarHBondContact O-N 2.8Å; A354-R357 WeakPolarHBondContact O-CB 3.36Å; A354-R357 PolarHBondContact O-N 2.79Å
355	V	90.7	Very high	90.9	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.024	9%	0.088	C	C	.	.	H	α-helix	trans	-63.5	-40.3	-178.8	171.7	0	0	0	0	112.3	I316 I351 A352 R357 R358 Y362 L383	I316-V355 HydrophobicContact CB-CG1 4.26Å; I316-V355 HydrophobicContact CD1-CG1 3.81Å; I316-V355 HydrophobicContact CG2-CG1 4.02Å; I316-V355 HydrophobicContact CG2-CG2 4.32Å; I351-V355 HydrophobicContact CG2-CG2 4.17Å; I351-V355 WeakPolarHBondContact O-CG2 3.28Å; I351-V355 PolarHBondContact O-N 3.33Å; A352-V355 PolarHBondContact O-N 2.86Å; V355-R357 PolarHBondContact O-N 3.35Å; V355-R358 PolarHBondContact O-N 2.88Å; V355-Y362 HydrophobicContact CG2-CE1 4.22Å; V355-L383 HydrophobicContact CG2-CD2 3.61Å
356	I	91.5	Very high	90.7	Very high	13 Å²	13	19.2 Å²	19.2	7%	0.067	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-19.6	-179.3	-156.5	168.6	0	0	0	114	L298 K302 A305 E309 M310 A313 A352 R353 A354	L298-I356 HydrophobicContact CB-CD1 4.39Å; K302-I356 HydrophobicContact CB-CG2 4.28Å; A305-I356 HydrophobicContact CB-CD1 3.52Å; A305-I356 HydrophobicContact CB-CG1 4.21Å; E309-I356 HydrophobicContact CB-CD1 4.37Å; E309-I356 HydrophobicContact CB-CG1 4.17Å; M310-I356 HydrophobicContact CB-CD1 4.27Å; M310-I356 HydrophobicContact CG-CD1 3.57Å; A313-I356 HydrophobicContact CB-CB 3.77Å; A313-I356 HydrophobicContact CB-CD1 4.31Å; A313-I356 HydrophobicContact CB-CG1 4.07Å; A352-I356 WeakPolarHBondContact O-CB 3.36Å; A352-I356 PolarHBondContact O-N 3.06Å; R353-I356 WeakPolarHBondContact O-CG2 3.1Å; A354-I356 PolarHBondContact O-N 2.8Å
357	R	89	Confident	90.3	Very high	90 Å²	90	17.2 Å²	17.2	34%	0.34	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-28	178.9	-172	180	-158.5	175.6	19.2	113.3	R277 I280 G301 A354 V355	R277-R357 PolarHBondContact O-NH1 3.1Å; R277-R357 PolarHBondContact O-NH2 3.36Å; I280-R357 PolarHBondContact O-NH1 3.18Å; G301-R357 WeakPolarHBondContact O-CB 3.38Å; G301-R357 WeakPolarHBondContact O-CG 3.26Å; A354-R357 WeakPolarHBondContact O-CB 3.36Å; A354-R357 PolarHBondContact O-N 2.79Å; V355-R357 PolarHBondContact O-N 3.35Å
358	R	88.6	Confident	90	Very high	143 Å²	143	17.3 Å²	17.3	54%	0.54	7%	0.072	S	C	.	.			trans	49.2	60.6	-168	-63.1	-174.9	169	145.4	7.9	113.7	Q312 V355 E386	Q312-R358 VanDerWaalsContact NE2-NH2 3.17Å; Q312-R358 VanDerWaalsContact OE1-NH2 3.09Å; V355-R358 PolarHBondContact O-N 2.88Å; R358-E386 IonicContact CZ-OE1 2.68Å; R358-E386 IonicContact NE-OE1 3.26Å; R358-E386 PolarHBondContact NE-OE1 2.74Å; R358-E386 VanDerWaalsContact NE-OE1 3.08Å; R358-E386 IonicContact NH2-OE1 3.77Å; R358-E386 PolarHBondContact NH2-OE1 2.95Å; R358-E386 VanDerWaalsContact NH2-OE1 3.13Å
359	P	90.1	Very high	89.2	Confident	7 Å²	7	16.9 Å²	16.9	5%	0.045	8%	0.075	C	C	.	.			trans	-69.7	162.4	177.3	33.7	-39.3	0	0	0	113	K279 Y362 S390	K279-P359 WeakPolarHBondContact O-CB 3.39Å; P359-Y362 HydrophobicContact CG-CD1 3.89Å; P359-Y362 HydrophobicContact CG-CD2 4.24Å; P359-Y362 HydrophobicContact CG-CE1 3.65Å; P359-Y362 HydrophobicContact CG-CE2 4.01Å; P359-Y362 HydrophobicContact CG-CG 4.19Å; P359-S390 PolarHBondContact O-OG 3.15Å
360	E	90.8	Very high	88.2	Confident	35 Å²	35	18.9 Å²	18.9	16%	0.164	9%	0.091	C	C	.	.	S	Bend	trans	-77.6	-26	175.4	-58.4	-174	165.8	0	0	111.8	R199 N264 K279 S390 V391	R199-E360 IonicContact CZ-OE1 3.56Å; R199-E360 VanDerWaalsContact CZ-OE1 3.31Å; R199-E360 IonicContact NE-OE1 3.98Å; R199-E360 PolarHBondContact NE-OE1 2.82Å; R199-E360 IonicContact NH2-OE1 3.21Å; R199-E360 PolarHBondContact NH2-OE1 3.17Å; N264-E360 PolarHBondContact ND2-OE2 3.04Å; K279-E360 PolarHBondContact O-N 3.43Å; E360-S390 CarbonylContact O-C 3.58Å; E360-S390 VanDerWaalsContact O-CA 3.29Å; E360-S390 WeakPolarHBondContact O-CA 3.21Å; E360-S390 WeakPolarHBondContact O-CB 3.44Å; E360-V391 PolarHBondContact O-N 2.76Å
361	I	92.3	Very high	87.4	Confident	1 Å²	1	19.1 Å²	19.1	1%	0.005	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	123	177.8	-54.3	176.4	0	0	0	109.2	V263 K279 I280 G281 I363 V391 L393	V263-I361 HydrophobicContact CG1-CD1 3.84Å; V263-I361 HydrophobicContact CG2-CD1 3.92Å; K279-I361 PolarHBondContact O-N 3.31Å; I280-I361 CarbonylContact C-O 3.53Å; I280-I361 WeakPolarHBondContact CA-O 3.27Å; G281-I361 PolarHBondContact N-O 3.21Å; I361-I363 HydrophobicContact CG2-CD1 4.43Å; I361-I363 HydrophobicContact CG2-CG1 4.01Å; I361-V391 WeakPolarHBondContact CA-O 3.31Å; I361-V391 HydrophobicContact CG1-CB 4.25Å; I361-V391 HydrophobicContact CG2-CB 4.38Å; I361-V391 HydrophobicContact CG2-CG1 4.5Å; I361-L393 HydrophobicContact CG2-CD1 4.49Å
362	Y	92.9	Very high	86.5	Confident	2 Å²	2	22.9 Å²	22.9	1%	0.008	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	136	166.9	-70.6	-88.7	0	0	0	110.2	V355 P359 F364 T387 S390 V391 L393	V355-Y362 HydrophobicContact CG2-CE1 4.22Å; P359-Y362 HydrophobicContact CG-CD1 3.89Å; P359-Y362 HydrophobicContact CG-CD2 4.24Å; P359-Y362 HydrophobicContact CG-CE1 3.65Å; P359-Y362 HydrophobicContact CG-CE2 4.01Å; P359-Y362 HydrophobicContact CG-CG 4.19Å; Y362-F364 HydrophobicContact CD1-CE2 4.37Å; Y362-F364 HydrophobicContact CD1-CZ 4.13Å; Y362-F364 HydrophobicContact CG-CE2 4.23Å; Y362-F364 HydrophobicContact CG-CZ 4.43Å; Y362-T387 HydrophobicContact CD2-CG2 3.76Å; Y362-T387 HydrophobicContact CE2-CG2 3.62Å; Y362-T387 HydrophobicContact CG-CG2 4.38Å; Y362-S390 WeakPolarHBondContact CE2-OG 3.4Å; Y362-V391 PolarHBondContact N-O 3.04Å; Y362-L393 PolarHBondContact O-N 3.49Å
363	I	92.6	Very high	85.1	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	112	175.2	-54.1	-175.3	0	0	0	108.4	I247 I250 I280 G281 Y282 I283 I361 L393	I247-I363 HydrophobicContact CB-CG2 3.89Å; I247-I363 HydrophobicContact CD1-CG2 3.52Å; I247-I363 HydrophobicContact CG1-CG2 4.26Å; I247-I363 HydrophobicContact CG2-CG2 4.24Å; I250-I363 HydrophobicContact CB-CD1 4.13Å; I250-I363 HydrophobicContact CD1-CD1 3.94Å; I250-I363 HydrophobicContact CG2-CD1 4.26Å; I280-I363 HydrophobicContact CG2-CD1 3.78Å; I280-I363 HydrophobicContact CG2-CG1 4.09Å; G281-I363 PolarHBondContact O-N 3.35Å; Y282-I363 HydrophobicContact CD2-CB 3.85Å; Y282-I363 HydrophobicContact CD2-CD1 4.09Å; Y282-I363 HydrophobicContact CD2-CG1 4.5Å; Y282-I363 HydrophobicContact CD2-CG2 3.76Å; Y282-I363 HydrophobicContact CE2-CB 4.34Å; Y282-I363 HydrophobicContact CE2-CG2 3.72Å; I283-I363 WeakPolarHBondContact CD1-O 3.18Å; I283-I363 PolarHBondContact N-O 3.42Å; I361-I363 HydrophobicContact CG2-CD1 4.43Å; I361-I363 HydrophobicContact CG2-CG1 4.01Å; I363-L393 HydrophobicContact CD1-CD1 4.3Å; I363-L393 HydrophobicContact CG1-CB 4.35Å; I363-L393 HydrophobicContact CG1-CD1 4.1Å
364	F	91.6	Very high	83.9	Confident	2 Å²	2	31.2 Å²	31.2	1%	0.009	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	96.6	175.7	-62.7	-83.1	0	0	0	108.5	I283 I351 Y362 D366 S367 F368 L383 V392 L393 I394 V395	I283-F364 HydrophobicContact CB-CD1 4.14Å; I283-F364 HydrophobicContact CD1-CD1 3.64Å; I283-F364 HydrophobicContact CD1-CE1 3.55Å; I283-F364 HydrophobicContact CD1-CG 4.25Å; I283-F364 HydrophobicContact CD1-CZ 4.08Å; I283-F364 HydrophobicContact CG1-CD1 3.91Å; I283-F364 HydrophobicContact CG1-CE1 3.94Å; I351-F364 HydrophobicContact CG1-CE1 4.42Å; I351-F364 HydrophobicContact CG2-CE1 4.43Å; Y362-F364 HydrophobicContact CD1-CE2 4.37Å; Y362-F364 HydrophobicContact CD1-CZ 4.13Å; Y362-F364 HydrophobicContact CG-CE2 4.23Å; Y362-F364 HydrophobicContact CG-CZ 4.43Å; F364-D366 PolarHBondContact O-N 3.05Å; F364-S367 WeakPolarHBondContact CA-OG 3.42Å; F364-S367 WeakPolarHBondContact CB-OG 3.46Å; F364-S367 WeakPolarHBondContact CD1-OG 3.25Å; F364-F368 HydrophobicContact CB-CD2 4.31Å; F364-F368 HydrophobicContact CB-CE2 3.49Å; F364-F368 VanDerWaalsContact CB-CE2 3.49Å; F364-F368 HydrophobicContact CB-CZ 4.1Å; F364-F368 HydrophobicContact CD1-CE1 4.42Å; F364-F368 AromaticContact CD1-CE2 3.88Å; F364-F368 HydrophobicContact CD1-CE2 3.88Å; F364-F368 AromaticContact CD1-CZ 3.59Å; F364-F368 HydrophobicContact CD1-CZ 3.59Å; F364-F368 HydrophobicContact CD2-CE2 4.35Å; F364-F368 HydrophobicContact CD2-CZ 4.27Å; F364-F368 HydrophobicContact CE1-CZ 4.03Å; F364-F368 AromaticContact CG-CE2 3.66Å; F364-F368 HydrophobicContact CG-CE2 3.66Å; F364-F368 AromaticContact CG-CZ 3.72Å; F364-F368 HydrophobicContact CG-CZ 3.72Å; F364-L383 HydrophobicContact CE1-CD1 3.87Å; F364-L383 HydrophobicContact CE2-CD1 4.45Å; F364-L383 HydrophobicContact CZ-CD1 3.62Å; F364-L383 HydrophobicContact CZ-CD2 4.33Å; F364-V392 HydrophobicContact CD2-CG1 4.05Å; F364-V392 HydrophobicContact CE2-CG1 3.92Å; F364-L393 PolarHBondContact N-O 3.48Å; F364-I394 HydrophobicContact CB-CG1 4.27Å; F364-I394 HydrophobicContact CB-CG2 4.47Å; F364-I394 HydrophobicContact CD2-CG1 4.09Å; F364-I394 CarbonylContact O-C 3.47Å; F364-I394 WeakPolarHBondContact O-CA 3.3Å; F364-V395 PolarHBondContact O-N 3.36Å
365	D	89.8	Confident	83.2	Confident	10 Å²	10	32 Å²	32	5%	0.053	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	81.5	-177.2	-175.6	17.5	0	0	0	110	S244 I247 Y282 I283 P284 Q285 S367	S244-D365 PolarHBondContact OG-OD1 2.78Å; I247-D365 HydrophobicContact CD1-CB 3.49Å; I247-D365 VanDerWaalsContact CD1-CB 3.49Å; I247-D365 VanDerWaalsContact CD1-CG 3.49Å; Y282-D365 HydrophobicContact CE1-CB 4.26Å; Y282-D365 PolarHBondContact OH-OD2 3.07Å; I283-D365 WeakPolarHBondContact O-CB 3.39Å; I283-D365 PolarHBondContact O-N 2.79Å; P284-D365 CarbonylContact C-O 3.58Å; Q285-D365 WeakPolarHBondContact CA-O 3.21Å; Q285-D365 WeakPolarHBondContact CB-O 3.26Å; Q285-D365 PolarHBondContact N-O 3.47Å; D365-S367 PolarHBondContact O-N 3.49Å
366	D	83.6	Confident	82.6	Confident	3 Å²	3	32 Å²	32	2%	0.016	15%	0.152	C	C	.	.	S	Bend	trans	53.4	19.7	-174.3	-169.3	63.3	0	0	0	114.4	Q285 F364 F368 S369 V395 A396 Q397	Q285-D366 HydrophobicContact CB-CB 4.34Å; Q285-D366 HydrophobicContact CG-CB 3.91Å; Q285-D366 PolarHBondContact NE2-OD2 2.75Å; F364-D366 PolarHBondContact O-N 3.05Å; D366-F368 PolarHBondContact O-N 3.49Å; D366-S369 WeakPolarHBondContact O-CB 3.47Å; D366-S369 PolarHBondContact O-N 2.91Å; D366-S369 PolarHBondContact O-OG 2.89Å; D366-S369 VanDerWaalsContact OD2-CB 3.26Å; D366-S369 WeakPolarHBondContact OD2-CB 3.44Å; D366-S369 PolarHBondContact OD2-OG 3.1Å; D366-V395 WeakPolarHBondContact CA-O 3.32Å; D366-V395 PolarHBondContact N-O 3.35Å; D366-A396 WeakPolarHBondContact OD1-CA 3.38Å; D366-Q397 PolarHBondContact OD1-N 2.93Å
367	S	82	Confident	81.8	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-12.6	-171.9	49.2	0	0	0	0	114.9	I283 Q347 F364 D365	I283-S367 VanDerWaalsContact CG2-CB 3.42Å; Q347-S367 VanDerWaalsContact CG-O 3.24Å; Q347-S367 WeakPolarHBondContact CG-O 3.2Å; Q347-S367 PolarHBondContact NE2-O 3.28Å; F364-S367 WeakPolarHBondContact CA-OG 3.42Å; F364-S367 WeakPolarHBondContact CB-OG 3.46Å; F364-S367 WeakPolarHBondContact CD1-OG 3.25Å; D365-S367 PolarHBondContact O-N 3.49Å
368	F	82.9	Confident	81.4	Confident	3 Å²	3	34.2 Å²	34.2	1%	0.013	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-13.6	176.2	-55.8	-79	0	0	0	112.9	F364 D366 A370 L371 D376 L379 R380 L383 I394 T401	F364-F368 HydrophobicContact CB-CD2 4.31Å; F364-F368 HydrophobicContact CB-CE2 3.49Å; F364-F368 VanDerWaalsContact CB-CE2 3.49Å; F364-F368 HydrophobicContact CB-CZ 4.1Å; F364-F368 HydrophobicContact CD1-CE1 4.42Å; F364-F368 AromaticContact CD1-CE2 3.88Å; F364-F368 HydrophobicContact CD1-CE2 3.88Å; F364-F368 AromaticContact CD1-CZ 3.59Å; F364-F368 HydrophobicContact CD1-CZ 3.59Å; F364-F368 HydrophobicContact CD2-CE2 4.35Å; F364-F368 HydrophobicContact CD2-CZ 4.27Å; F364-F368 HydrophobicContact CE1-CZ 4.03Å; F364-F368 AromaticContact CG-CE2 3.66Å; F364-F368 HydrophobicContact CG-CE2 3.66Å; F364-F368 AromaticContact CG-CZ 3.72Å; F364-F368 HydrophobicContact CG-CZ 3.72Å; D366-F368 PolarHBondContact O-N 3.49Å; F368-A370 PolarHBondContact O-N 3.25Å; F368-L371 HydrophobicContact CD1-CD1 4.25Å; F368-L371 PolarHBondContact O-N 3.39Å; F368-D376 WeakPolarHBondContact CD1-OD1 3.24Å; F368-L379 HydrophobicContact CD1-CD2 4.25Å; F368-L379 HydrophobicContact CE1-CD2 3.63Å; F368-R380 HydrophobicContact CD1-CG 4.27Å; F368-R380 HydrophobicContact CE1-CG 3.89Å; F368-R380 HydrophobicContact CZ-CG 4.31Å; F368-L383 HydrophobicContact CE1-CD1 4.3Å; F368-L383 HydrophobicContact CZ-CD1 4.32Å; F368-I394 HydrophobicContact CD2-CG2 4Å; F368-I394 HydrophobicContact CE2-CD1 4.11Å; F368-I394 HydrophobicContact CE2-CG1 4.22Å; F368-I394 HydrophobicContact CE2-CG2 3.77Å; F368-T401 HydrophobicContact CB-CG2 3.63Å; F368-T401 HydrophobicContact CD2-CG2 3.38Å; F368-T401 HydrophobicContact CE2-CG2 4.27Å; F368-T401 HydrophobicContact CG-CG2 3.74Å
369	S	74.1	Confident	81.2	Confident	25 Å²	25	27.4 Å²	27.4	18%	0.175	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-23.1	-176.3	64.6	0	0	0	0	114.5	D366 R398	D366-S369 WeakPolarHBondContact O-CB 3.47Å; D366-S369 PolarHBondContact O-N 2.91Å; D366-S369 PolarHBondContact O-OG 2.89Å; D366-S369 VanDerWaalsContact OD2-CB 3.26Å; D366-S369 WeakPolarHBondContact OD2-CB 3.44Å; D366-S369 PolarHBondContact OD2-OG 3.1Å; S369-R398 PolarHBondContact O-NH1 2.9Å; S369-R398 PolarHBondContact O-NH2 3.22Å
370	A	71.5	Confident	80.9	Confident	44 Å²	44	28.9 Å²	28.9	36%	0.364	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	2.1	175.5	0	0	0	0	0	114.3	G344 Q347 F368	G344-A370 WeakPolarHBondContact CA-O 3.26Å; G344-A370 PolarHBondContact N-O 2.92Å; Q347-A370 HydrophobicContact CG-CB 3.84Å; F368-A370 PolarHBondContact O-N 3.25Å
371	L	73.9	Confident	80.5	Confident	8 Å²	8	30.1 Å²	30.1	4%	0.042	17%	0.166	C	C	.	.	S	Bend	trans	-99.4	145.9	175.3	-59.1	175	0	0	0	109.9	Q347 R348 I351 F368 D376 L379	Q347-L371 HydrophobicContact CB-CD2 4.29Å; R348-L371 HydrophobicContact CG-CD2 3.69Å; I351-L371 HydrophobicContact CD1-CD1 4.27Å; F368-L371 HydrophobicContact CD1-CD1 4.25Å; F368-L371 PolarHBondContact O-N 3.39Å; L371-D376 HydrophobicContact CB-CB 4.12Å; L371-L379 HydrophobicContact CD1-CD1 4.12Å
372	D	72.8	Confident	80.1	Confident	79 Å²	79	34.5 Å²	34.5	42%	0.422	18%	0.183	S	C	.	.			trans	-65.1	152	164.5	59.3	95.2	0	0	0	110.3	Q374 T375 D376	D372-Q374 VanDerWaalsContact C-N 3.26Å; D372-Q374 PolarHBondContact O-N 3.4Å; D372-T375 VanDerWaalsContact CG-OG1 3.29Å; D372-T375 PolarHBondContact O-N 2.96Å; D372-T375 VanDerWaalsContact OD1-CB 3.25Å; D372-T375 WeakPolarHBondContact OD1-CB 3.48Å; D372-T375 PolarHBondContact OD1-N 3.01Å; D372-T375 PolarHBondContact OD1-OG1 2.96Å; D372-T375 VanDerWaalsContact OD2-CB 3.3Å; D372-T375 WeakPolarHBondContact OD2-CB 3.36Å; D372-T375 PolarHBondContact OD2-OG1 3.14Å; D372-D376 WeakPolarHBondContact O-CB 3.36Å; D372-D376 PolarHBondContact O-N 3.28Å
373	Y	64.3	Low	79.7	Confident	102 Å²	102	34.8 Å²	34.8	40%	0.4	18%	0.184	S	C	.	.	H	α-helix	trans	-57.1	-37.9	-172.9	-168.5	-108.4	0	0	0	113.4	A377 E979	Y373-A377 WeakPolarHBondContact O-CB 3.39Å; Y373-A377 PolarHBondContact O-N 2.89Å; Y373-E979 VanDerWaalsContact CE1-OE1 3.28Å; Y373-E979 WeakPolarHBondContact CE1-OE1 3.22Å; Y373-E979 PolarHBondContact OH-OE1 3.41Å; Y373-E979 PolarHBondContact OH-OE2 3.06Å
374	Q	67.2	Low	79.3	Confident	78 Å²	78	41 Å²	41	36%	0.364	21%	0.211	S	C	.	.	H	α-helix	trans	-68.7	-44.6	-179.5	-162.5	-143.8	107	0	0	112	D372 K378 S975	D372-Q374 VanDerWaalsContact C-N 3.26Å; D372-Q374 PolarHBondContact O-N 3.4Å; Q374-K378 WeakPolarHBondContact O-CB 3.42Å; Q374-K378 WeakPolarHBondContact O-CG 3.29Å; Q374-K378 PolarHBondContact O-N 3.36Å; Q374-K378 VanDerWaalsContact OE1-CE 3.27Å; Q374-S975 PolarHBondContact NE2-OG 2.84Å
375	T	75	Confident	79	Confident	22 Å²	22	48.1 Å²	48.1	14%	0.135	24%	0.242	C	C	.	.	H	α-helix	trans	-71.3	-38.8	177.4	-60.2	0	0	0	0	111.3	Q318 D372 L379	Q318-T375 HydrophobicContact CB-CG2 4.2Å; D372-T375 VanDerWaalsContact CG-OG1 3.29Å; D372-T375 PolarHBondContact O-N 2.96Å; D372-T375 VanDerWaalsContact OD1-CB 3.25Å; D372-T375 WeakPolarHBondContact OD1-CB 3.48Å; D372-T375 PolarHBondContact OD1-N 3.01Å; D372-T375 PolarHBondContact OD1-OG1 2.96Å; D372-T375 VanDerWaalsContact OD2-CB 3.3Å; D372-T375 WeakPolarHBondContact OD2-CB 3.36Å; D372-T375 PolarHBondContact OD2-OG1 3.14Å; T375-L379 WeakPolarHBondContact O-CB 3.41Å; T375-L379 PolarHBondContact O-N 3.36Å
376	D	78.2	Confident	78.7	Confident	6 Å²	6	50.3 Å²	50.3	3%	0.032	25%	0.252	C	S	.	.	H	α-helix	trans	-56.7	-53.2	170.9	175.8	33	0	0	0	111.3	F368 L371 D372 K378 L379 R380	F368-D376 WeakPolarHBondContact CD1-OD1 3.24Å; L371-D376 HydrophobicContact CB-CB 4.12Å; D372-D376 WeakPolarHBondContact O-CB 3.36Å; D372-D376 PolarHBondContact O-N 3.28Å; D376-K378 PolarHBondContact O-N 3.27Å; D376-L379 PolarHBondContact O-N 3.06Å; D376-R380 WeakPolarHBondContact O-CB 3.25Å; D376-R380 WeakPolarHBondContact O-CG 3.33Å; D376-R380 PolarHBondContact O-N 3.33Å; D376-R380 WeakPolarHBondContact OD1-CD 3.46Å; D376-R380 WeakPolarHBondContact OD1-CG 3.17Å; D376-R380 IonicContact OD1-CZ 3.63Å; D376-R380 IonicContact OD1-NE 3.21Å; D376-R380 PolarHBondContact OD1-NE 2.91Å; D376-R380 IonicContact OD1-NH2 3.24Å; D376-R380 IonicContact OD2-CZ 2.7Å; D376-R380 IonicContact OD2-NE 2.69Å; D376-R380 PolarHBondContact OD2-NE 3.4Å; D376-R380 IonicContact OD2-NH2 3.86Å; D376-R380 PolarHBondContact OD2-NH2 3.13Å
377	A	74.1	Confident	78.8	Confident	41 Å²	41	50.6 Å²	50.6	34%	0.339	25%	0.254	S	S	.	.	H	α-helix	trans	-58.5	-45.7	178.8	0	0	0	0	0	113	Y373 A381	Y373-A377 WeakPolarHBondContact O-CB 3.39Å; Y373-A377 PolarHBondContact O-N 2.89Å; A377-A381 WeakPolarHBondContact O-CB 2.9Å; A377-A381 PolarHBondContact O-N 2.84Å
378	K	81	Confident	78.9	Confident	107 Å²	107	54.7 Å²	54.7	47%	0.465	28%	0.279	S	S	.	.	H	α-helix	trans	-62.3	-45.3	175.9	-77.4	175.8	174.2	175.4	0	112.3	Q374 D376 A381 R382	Q374-K378 WeakPolarHBondContact O-CB 3.42Å; Q374-K378 WeakPolarHBondContact O-CG 3.29Å; Q374-K378 PolarHBondContact O-N 3.36Å; Q374-K378 VanDerWaalsContact OE1-CE 3.27Å; D376-K378 PolarHBondContact O-N 3.27Å; K378-A381 PolarHBondContact O-N 2.73Å; K378-R382 PolarHBondContact O-N 3.03Å
379	L	84.7	Confident	79	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-66.7	-42.7	-178.8	-176.1	151.3	0	0	0	110.9	A317 Q318 R348 I351 F368 L371 T375 D376 R382 L383	A317-L379 VanDerWaalsContact O-CD1 3.29Å; A317-L379 WeakPolarHBondContact O-CD1 3.41Å; Q318-L379 HydrophobicContact CG-CB 3.98Å; Q318-L379 HydrophobicContact CG-CD1 4.5Å; Q318-L379 HydrophobicContact CG-CG 4.5Å; R348-L379 HydrophobicContact CG-CD1 4.19Å; I351-L379 HydrophobicContact CD1-CD1 3.96Å; I351-L379 HydrophobicContact CD1-CD2 4.02Å; I351-L379 HydrophobicContact CG2-CD2 4.42Å; F368-L379 HydrophobicContact CD1-CD2 4.25Å; F368-L379 HydrophobicContact CE1-CD2 3.63Å; L371-L379 HydrophobicContact CD1-CD1 4.12Å; T375-L379 WeakPolarHBondContact O-CB 3.41Å; T375-L379 PolarHBondContact O-N 3.36Å; D376-L379 PolarHBondContact O-N 3.06Å; L379-R382 PolarHBondContact O-N 3Å; L379-L383 HydrophobicContact CD2-CD1 3.49Å; L379-L383 VanDerWaalsContact CD2-CD1 3.49Å; L379-L383 HydrophobicContact CD2-CG 4.14Å; L379-L383 WeakPolarHBondContact O-CB 3.33Å; L379-L383 WeakPolarHBondContact O-CG 3.41Å; L379-L383 PolarHBondContact O-N 3.07Å
380	R	83.1	Confident	79.8	Confident	39 Å²	39	61.8 Å²	61.8	15%	0.147	31%	0.311	C	S	.	.	H	α-helix	trans	-60.6	-44.3	172.1	-74.4	-174.2	-75.2	157	-0.7	112.1	F368 D376 R382 L383 K384 G400 T401	F368-R380 HydrophobicContact CD1-CG 4.27Å; F368-R380 HydrophobicContact CE1-CG 3.89Å; F368-R380 HydrophobicContact CZ-CG 4.31Å; D376-R380 WeakPolarHBondContact O-CB 3.25Å; D376-R380 WeakPolarHBondContact O-CG 3.33Å; D376-R380 PolarHBondContact O-N 3.33Å; D376-R380 WeakPolarHBondContact OD1-CD 3.46Å; D376-R380 WeakPolarHBondContact OD1-CG 3.17Å; D376-R380 IonicContact OD1-CZ 3.63Å; D376-R380 IonicContact OD1-NE 3.21Å; D376-R380 PolarHBondContact OD1-NE 2.91Å; D376-R380 IonicContact OD1-NH2 3.24Å; D376-R380 IonicContact OD2-CZ 2.7Å; D376-R380 IonicContact OD2-NE 2.69Å; D376-R380 PolarHBondContact OD2-NE 3.4Å; D376-R380 IonicContact OD2-NH2 3.86Å; D376-R380 PolarHBondContact OD2-NH2 3.13Å; R380-R382 VanDerWaalsContact C-N 3.27Å; R380-R382 PolarHBondContact O-N 3.46Å; R380-L383 PolarHBondContact O-N 2.87Å; R380-K384 WeakPolarHBondContact O-CB 3.42Å; R380-K384 PolarHBondContact O-N 2.86Å; R380-G400 PolarHBondContact NH1-O 3.16Å; R380-G400 PolarHBondContact NH2-O 2.86Å; R380-T401 VanDerWaalsContact NH1-C 3.33Å; R380-T401 PolarHBondContact NH1-O 3.28Å
381	A	83.3	Confident	80.8	Confident	61 Å²	61	59.7 Å²	59.7	50%	0.504	29%	0.294	S	S	.	.	H	α-helix	trans	-64.6	-28.8	176.5	0	0	0	0	0	113.6	A377 K378	A377-A381 WeakPolarHBondContact O-CB 2.9Å; A377-A381 PolarHBondContact O-N 2.84Å; K378-A381 PolarHBondContact O-N 2.73Å
382	R	83.6	Confident	81.7	Confident	92 Å²	92	59.7 Å²	59.7	35%	0.347	29%	0.294	S	S	.	.	H	α-helix	trans	-79.7	-45.8	174.1	-162.9	62.8	169	156.4	-4.4	111.5	E315 I316 K378 L379 R380 K384 K385	E315-R382 IonicContact OE1-CZ 3.35Å; E315-R382 IonicContact OE1-NE 2.69Å; E315-R382 IonicContact OE1-NH2 3.79Å; E315-R382 PolarHBondContact OE1-NH2 3.03Å; I316-R382 HydrophobicContact CB-CG 4.41Å; I316-R382 HydrophobicContact CG1-CG 4.39Å; I316-R382 HydrophobicContact CG2-CG 4.32Å; K378-R382 PolarHBondContact O-N 3.03Å; L379-R382 PolarHBondContact O-N 3Å; R380-R382 VanDerWaalsContact C-N 3.27Å; R380-R382 PolarHBondContact O-N 3.46Å; R382-K384 PolarHBondContact O-N 3.06Å; R382-K385 WeakPolarHBondContact O-CB 3.36Å; R382-K385 PolarHBondContact O-N 2.94Å
383	L	84.9	Confident	82.6	Confident	8 Å²	8	55.9 Å²	55.9	4%	0.042	27%	0.274	C	S	.	.	H	α-helix	trans	-56.6	-45.6	176	-82	176.4	0	0	0	112.2	I316 I351 V355 F364 F368 L379 R380 K385 E386 T387	I316-L383 HydrophobicContact CG2-CD2 3.88Å; I316-L383 HydrophobicContact CG2-CG 4.43Å; I351-L383 HydrophobicContact CG2-CD1 4.48Å; V355-L383 HydrophobicContact CG2-CD2 3.61Å; F364-L383 HydrophobicContact CE1-CD1 3.87Å; F364-L383 HydrophobicContact CE2-CD1 4.45Å; F364-L383 HydrophobicContact CZ-CD1 3.62Å; F364-L383 HydrophobicContact CZ-CD2 4.33Å; F368-L383 HydrophobicContact CE1-CD1 4.3Å; F368-L383 HydrophobicContact CZ-CD1 4.32Å; L379-L383 HydrophobicContact CD2-CD1 3.49Å; L379-L383 VanDerWaalsContact CD2-CD1 3.49Å; L379-L383 HydrophobicContact CD2-CG 4.14Å; L379-L383 WeakPolarHBondContact O-CB 3.33Å; L379-L383 WeakPolarHBondContact O-CG 3.41Å; L379-L383 PolarHBondContact O-N 3.07Å; R380-L383 PolarHBondContact O-N 2.87Å; L383-K385 PolarHBondContact O-N 3.41Å; L383-E386 PolarHBondContact O-N 3.43Å; L383-T387 HydrophobicContact CD2-CG2 4.44Å; L383-T387 WeakPolarHBondContact O-CG2 3.33Å; L383-T387 PolarHBondContact O-N 3.47Å; L383-T387 PolarHBondContact O-OG1 2.92Å
384	K	83.7	Confident	83.9	Confident	131 Å²	131	51.7 Å²	51.7	57%	0.57	26%	0.258	S	S	*	.	H	α-helix	trans	-55.5	-19.6	179.7	-172.5	166.8	-176.6	165.1	0	114	R380 R382	R380-K384 WeakPolarHBondContact O-CB 3.42Å; R380-K384 PolarHBondContact O-N 2.86Å; R382-K384 PolarHBondContact O-N 3.06Å
385	K	84.5	Confident	84.9	Confident	152 Å²	152	48 Å²	48	66%	0.661	24%	0.24	S	C	*	.	H	α-helix	trans	-87.4	-25	174.9	-60.7	-178.8	-178	-178.7	0	114	R382 L383	R382-K385 WeakPolarHBondContact O-CB 3.36Å; R382-K385 PolarHBondContact O-N 2.94Å; L383-K385 PolarHBondContact O-N 3.41Å
386	E	83.8	Confident	85.3	Confident	56 Å²	56	46.9 Å²	46.9	26%	0.262	23%	0.234	S	C	.	.	H	α-helix	trans	-95.3	-27.1	179.8	-167.6	79.9	-172.7	0	0	111.5	I316 R358 L383 T388	I316-E386 HydrophobicContact CD1-CB 4.4Å; I316-E386 HydrophobicContact CD1-CG 3.97Å; R358-E386 IonicContact CZ-OE1 2.68Å; R358-E386 IonicContact NE-OE1 3.26Å; R358-E386 PolarHBondContact NE-OE1 2.74Å; R358-E386 VanDerWaalsContact NE-OE1 3.08Å; R358-E386 IonicContact NH2-OE1 3.77Å; R358-E386 PolarHBondContact NH2-OE1 2.95Å; R358-E386 VanDerWaalsContact NH2-OE1 3.13Å; L383-E386 PolarHBondContact O-N 3.43Å; E386-T388 VanDerWaalsContact C-N 3.34Å; E386-T388 PolarHBondContact O-N 3.06Å
387	T	86	Confident	85	Confident	9 Å²	9	48.7 Å²	48.7	6%	0.055	24%	0.242	C	C	.	.			trans	-90.4	16.6	-175.5	64.7	0	0	0	0	114.6	Y362 L383 E389 S390 V392	Y362-T387 HydrophobicContact CD2-CG2 3.76Å; Y362-T387 HydrophobicContact CE2-CG2 3.62Å; Y362-T387 HydrophobicContact CG-CG2 4.38Å; L383-T387 HydrophobicContact CD2-CG2 4.44Å; L383-T387 WeakPolarHBondContact O-CG2 3.33Å; L383-T387 PolarHBondContact O-N 3.47Å; L383-T387 PolarHBondContact O-OG1 2.92Å; T387-E389 VanDerWaalsContact C-N 3.25Å; T387-E389 PolarHBondContact O-N 2.89Å; T387-S390 PolarHBondContact O-N 3.08Å; T387-S390 VanDerWaalsContact O-N 3.15Å; T387-V392 HydrophobicContact CG2-CG2 4.06Å
388	T	84.2	Confident	84.8	Confident	86 Å²	86	53 Å²	53	53%	0.528	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-24.7	-174.6	51.3	0	0	0	0	114.5	G230 E386	G230-T388 WeakPolarHBondContact CA-O 3.45Å; G230-T388 PolarHBondContact N-O 3.47Å; E386-T388 VanDerWaalsContact C-N 3.34Å; E386-T388 PolarHBondContact O-N 3.06Å
389	E	85.7	Confident	84.5	Confident	166 Å²	166	50.2 Å²	50.2	78%	0.776	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.1	7.6	177.9	-60.4	-170.8	161.6	0	0	112.9	A229 T387	A229-E389 WeakPolarHBondContact CB-O 3.41Å; T387-E389 VanDerWaalsContact C-N 3.25Å; T387-E389 PolarHBondContact O-N 2.89Å
390	S	90.7	Very high	83.7	Confident	11 Å²	11	51.4 Å²	51.4	8%	0.077	25%	0.253	C	S	.	.	S	Bend	trans	-118.7	151.7	-175.1	-54.3	0	0	0	0	111.2	G230 P359 E360 Y362 T387	G230-S390 PolarHBondContact N-O 3.05Å; P359-S390 PolarHBondContact O-OG 3.15Å; E360-S390 CarbonylContact O-C 3.58Å; E360-S390 VanDerWaalsContact O-CA 3.29Å; E360-S390 WeakPolarHBondContact O-CA 3.21Å; E360-S390 WeakPolarHBondContact O-CB 3.44Å; Y362-S390 WeakPolarHBondContact CE2-OG 3.4Å; T387-S390 PolarHBondContact O-N 3.08Å; T387-S390 VanDerWaalsContact O-N 3.15Å
391	V	92.3	Very high	83.4	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	133.2	164.3	176.9	0	0	0	0	108.1	L202 A227 E360 I361 Y362 L393	L202-V391 HydrophobicContact CB-CG1 4.38Å; L202-V391 HydrophobicContact CD2-CG1 4.26Å; A227-V391 HydrophobicContact CB-CG1 3.65Å; E360-V391 PolarHBondContact O-N 2.76Å; I361-V391 WeakPolarHBondContact CA-O 3.31Å; I361-V391 HydrophobicContact CG1-CB 4.25Å; I361-V391 HydrophobicContact CG2-CB 4.38Å; I361-V391 HydrophobicContact CG2-CG1 4.5Å; Y362-V391 PolarHBondContact N-O 3.04Å; V391-L393 HydrophobicContact CG1-CD2 4.01Å; V391-L393 HydrophobicContact CG1-CG 4.34Å
392	V	92.4	Very high	83.3	Confident	7 Å²	7	47.2 Å²	47.2	4%	0.042	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	117.6	177.8	-178.8	0	0	0	0	109.9	E231 T232 V233 F364 T387 I394	E231-V392 PolarHBondContact O-N 2.82Å; E231-V392 VanDerWaalsContact O-N 3.12Å; T232-V392 CarbonylContact C-O 3.56Å; T232-V392 WeakPolarHBondContact CA-O 3.32Å; T232-V392 HydrophobicContact CG2-CB 4.38Å; T232-V392 HydrophobicContact CG2-CG1 4.1Å; V233-V392 PolarHBondContact N-O 2.79Å; F364-V392 HydrophobicContact CD2-CG1 4.05Å; F364-V392 HydrophobicContact CE2-CG1 3.92Å; T387-V392 HydrophobicContact CG2-CG2 4.06Å; V392-I394 HydrophobicContact CG1-CD1 4.24Å; V392-I394 HydrophobicContact CG1-CG1 3.99Å
393	L	92.8	Very high	83	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	128.4	173.7	-56.9	-174.4	0	0	0	110	L202 V233 F235 I247 I250 I361 Y362 I363 F364 V391	L202-L393 HydrophobicContact CD2-CD1 3.66Å; L202-L393 HydrophobicContact CD2-CD2 3.92Å; L202-L393 HydrophobicContact CD2-CG 4.23Å; V233-L393 HydrophobicContact CB-CD2 3.82Å; V233-L393 HydrophobicContact CG2-CD2 4.49Å; V233-L393 CarbonylContact O-C 3.46Å; V233-L393 VanDerWaalsContact O-CA 3.25Å; V233-L393 WeakPolarHBondContact O-CA 3.48Å; F235-L393 HydrophobicContact CE2-CB 4.2Å; F235-L393 HydrophobicContact CE2-CD1 4.49Å; F235-L393 HydrophobicContact CE2-CD2 4.1Å; F235-L393 HydrophobicContact CE2-CG 4.49Å; F235-L393 HydrophobicContact CZ-CD2 4.42Å; I247-L393 HydrophobicContact CG2-CD1 4.46Å; I250-L393 HydrophobicContact CD1-CD1 3.21Å; I361-L393 HydrophobicContact CG2-CD1 4.49Å; Y362-L393 PolarHBondContact O-N 3.49Å; I363-L393 HydrophobicContact CD1-CD1 4.3Å; I363-L393 HydrophobicContact CG1-CB 4.35Å; I363-L393 HydrophobicContact CG1-CD1 4.1Å; F364-L393 PolarHBondContact N-O 3.48Å; V391-L393 HydrophobicContact CG1-CD2 4.01Å; V391-L393 HydrophobicContact CG1-CG 4.34Å
394	I	90.9	Very high	82.8	Confident	13 Å²	13	51.6 Å²	51.6	7%	0.067	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	101.4	177.7	-54.9	179.3	0	0	0	109.9	T232 V233 A234 F235 F364 F368 V392 T401 I402	T232-I394 HydrophobicContact CG2-CD1 3.78Å; T232-I394 HydrophobicContact CG2-CG1 4.24Å; V233-I394 PolarHBondContact O-N 3.13Å; A234-I394 CarbonylContact C-O 3.6Å; A234-I394 WeakPolarHBondContact CA-O 3.16Å; F235-I394 PolarHBondContact N-O 2.93Å; F364-I394 HydrophobicContact CB-CG1 4.27Å; F364-I394 HydrophobicContact CB-CG2 4.47Å; F364-I394 HydrophobicContact CD2-CG1 4.09Å; F364-I394 CarbonylContact O-C 3.47Å; F364-I394 WeakPolarHBondContact O-CA 3.3Å; F368-I394 HydrophobicContact CD2-CG2 4Å; F368-I394 HydrophobicContact CE2-CD1 4.11Å; F368-I394 HydrophobicContact CE2-CG1 4.22Å; F368-I394 HydrophobicContact CE2-CG2 3.77Å; V392-I394 HydrophobicContact CG1-CD1 4.24Å; V392-I394 HydrophobicContact CG1-CG1 3.99Å; I394-T401 HydrophobicContact CG2-CG2 3.89Å; I394-I402 HydrophobicContact CB-CG2 4.27Å; I394-I402 HydrophobicContact CG2-CG2 3.72Å
395	V	88.9	Confident	83	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	139.3	159.7	179.5	0	0	0	0	107.5	F235 K243 I247 F364 D366	F235-V395 HydrophobicContact CB-CG2 4.12Å; F235-V395 HydrophobicContact CD2-CG2 4.05Å; F235-V395 HydrophobicContact CG-CG2 4.44Å; F235-V395 WeakPolarHBondContact O-CA 3.42Å; K243-V395 HydrophobicContact CB-CG1 3.64Å; K243-V395 HydrophobicContact CB-CG2 4.42Å; K243-V395 HydrophobicContact CD-CG1 3.84Å; K243-V395 HydrophobicContact CG-CG1 4.38Å; I247-V395 HydrophobicContact CB-CG2 4.48Å; I247-V395 HydrophobicContact CD1-CB 4.5Å; I247-V395 HydrophobicContact CD1-CG2 3.52Å; I247-V395 HydrophobicContact CG1-CG2 3.96Å; I247-V395 HydrophobicContact CG2-CG2 3.73Å; F364-V395 PolarHBondContact O-N 3.36Å; D366-V395 WeakPolarHBondContact CA-O 3.32Å; D366-V395 PolarHBondContact N-O 3.35Å
396	A	81.9	Confident	83.2	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.215	C	C	.	.			trans	-143.5	147.1	165.8	0	0	0	0	0	110.7	F235 I236 D366 R398 T401 I402	F235-A396 PolarHBondContact O-N 3.38Å; I236-A396 WeakPolarHBondContact CG1-O 3.23Å; D366-A396 WeakPolarHBondContact OD1-CA 3.38Å; A396-R398 WeakPolarHBondContact CB-O 3.43Å; A396-T401 HydrophobicContact CB-CG2 3.89Å; A396-I402 HydrophobicContact CB-CG2 3.54Å
397	Q	72.8	Confident	83.6	Confident	44 Å²	44	41.9 Å²	41.9	21%	0.206	21%	0.213	C	C	.	.	S	Bend	trans	-84.1	-26.7	161.2	-61.9	-175.9	0.1	0	0	110.6	T239 D366	T239-Q397 PolarHBondContact OG1-NE2 2.9Å; D366-Q397 PolarHBondContact OD1-N 2.93Å
398	R	70.5	Confident	83.9	Confident	131 Å²	131	41.6 Å²	41.6	49%	0.494	21%	0.211	S	C	.	.	S	Bend	trans	-96.3	126.6	-179.1	-60.9	-176	-176	156.9	7.2	111.9	S369 A396 G400 T401	S369-R398 PolarHBondContact O-NH1 2.9Å; S369-R398 PolarHBondContact O-NH2 3.22Å; A396-R398 WeakPolarHBondContact CB-O 3.43Å; R398-G400 VanDerWaalsContact C-N 3.33Å; R398-G400 PolarHBondContact O-N 3.19Å; R398-T401 WeakPolarHBondContact O-CB 3.38Å; R398-T401 PolarHBondContact O-N 3.16Å
399	V	73.6	Confident	84.2	Confident	49 Å²	49	37.5 Å²	37.5	30%	0.297	19%	0.186	S	C	.	.	H	α-helix	trans	-57.2	-41.9	179.4	-178.3	0	0	0	0	112.4	I236 T401 I402 M403 Y432	I236-V399 HydrophobicContact CD1-CB 4.46Å; I236-V399 HydrophobicContact CD1-CG2 3.81Å; V399-T401 PolarHBondContact O-N 3.09Å; V399-T401 VanDerWaalsContact O-N 3.15Å; V399-I402 WeakPolarHBondContact O-CG1 3.24Å; V399-I402 PolarHBondContact O-N 2.75Å; V399-M403 PolarHBondContact O-N 3.36Å; V399-Y432 HydrophobicContact CG2-CD2 4.12Å; V399-Y432 HydrophobicContact CG2-CE2 4.37Å
400	G	68.8	Low	84.4	Confident	24 Å²	24	29.6 Å²	29.6	25%	0.247	15%	0.149	C	C	.	.	H	α-helix	trans	-61	-24.7	-177.9	0	0	0	0	0	114.6	R380 R398 I402	R380-G400 PolarHBondContact NH1-O 3.16Å; R380-G400 PolarHBondContact NH2-O 2.86Å; R398-G400 VanDerWaalsContact C-N 3.33Å; R398-G400 PolarHBondContact O-N 3.19Å; G400-I402 VanDerWaalsContact C-N 3.27Å; G400-I402 PolarHBondContact O-N 2.99Å
401	T	75.4	Confident	84.2	Confident	8 Å²	8	29.1 Å²	29.1	5%	0.049	15%	0.145	C	C	.	.	H	α-helix	trans	-66.8	-29.4	176.4	-56.7	0	0	0	0	112.1	F368 R380 I394 A396 R398 V399	F368-T401 HydrophobicContact CB-CG2 3.63Å; F368-T401 HydrophobicContact CD2-CG2 3.38Å; F368-T401 HydrophobicContact CE2-CG2 4.27Å; F368-T401 HydrophobicContact CG-CG2 3.74Å; R380-T401 VanDerWaalsContact NH1-C 3.33Å; R380-T401 PolarHBondContact NH1-O 3.28Å; I394-T401 HydrophobicContact CG2-CG2 3.89Å; A396-T401 HydrophobicContact CB-CG2 3.89Å; R398-T401 WeakPolarHBondContact O-CB 3.38Å; R398-T401 PolarHBondContact O-N 3.16Å; V399-T401 PolarHBondContact O-N 3.09Å; V399-T401 VanDerWaalsContact O-N 3.15Å
402	I	82.4	Confident	83.9	Confident	5 Å²	5	31 Å²	31	3%	0.026	16%	0.156	C	C	.	.	H	α-helix	trans	-119.9	-3.9	-164	57.2	161.2	0	0	0	115.5	A234 I236 I394 A396 V399 G400 H404 A405 I408	A234-I402 HydrophobicContact CB-CB 3.52Å; A234-I402 HydrophobicContact CB-CD1 4.32Å; A234-I402 HydrophobicContact CB-CG2 3.45Å; A234-I402 VanDerWaalsContact CB-CG2 3.45Å; I236-I402 HydrophobicContact CB-CD1 3.59Å; I236-I402 HydrophobicContact CD1-CD1 3.77Å; I236-I402 HydrophobicContact CG1-CD1 4.28Å; I236-I402 HydrophobicContact CG2-CD1 3.7Å; I394-I402 HydrophobicContact CB-CG2 4.27Å; I394-I402 HydrophobicContact CG2-CG2 3.72Å; A396-I402 HydrophobicContact CB-CG2 3.54Å; V399-I402 WeakPolarHBondContact O-CG1 3.24Å; V399-I402 PolarHBondContact O-N 2.75Å; G400-I402 VanDerWaalsContact C-N 3.27Å; G400-I402 PolarHBondContact O-N 2.99Å; I402-H404 PolarHBondContact O-N 3.36Å; I402-A405 WeakPolarHBondContact O-CB 3.27Å; I402-A405 PolarHBondContact O-N 3.04Å; I402-I408 HydrophobicContact CD1-CD1 4.5Å; I402-I408 HydrophobicContact CD1-CG2 3.95Å; I402-I408 WeakPolarHBondContact O-CD1 3.23Å
403	M	76.1	Confident	83.3	Confident	59 Å²	59	37.4 Å²	37.4	29%	0.291	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-16.2	-176.4	67.9	-171	-66.5	0	0	115.8	V399 H422	V399-M403 PolarHBondContact O-N 3.36Å; M403-H422 HydrophobicContact CB-CB 4.39Å; M403-H422 VanDerWaalsContact O-CB 3.28Å; M403-H422 WeakPolarHBondContact O-CB 3.42Å
404	H	81.9	Confident	82.7	Confident	132 Å²	132	37.4 Å²	37.4	61%	0.611	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.2	10.4	179	-57	-46.7	0	0	0	114.2	I402	I402-H404 PolarHBondContact O-N 3.36Å
405	A	87.3	Confident	82.4	Confident	8 Å²	8	40 Å²	40	7%	0.066	20%	0.199	C	C	.	.			trans	-70.8	142.1	174.5	0	0	0	0	0	111	T232 A234 I402 K407 I408	T232-A405 HydrophobicContact CG2-CB 3.97Å; A234-A405 HydrophobicContact CB-CB 3.52Å; I402-A405 WeakPolarHBondContact O-CB 3.27Å; I402-A405 PolarHBondContact O-N 3.04Å; A405-K407 PolarHBondContact O-N 3.16Å; A405-I408 HydrophobicContact CB-CG1 3.92Å
406	D	89.5	Confident	82.3	Confident	79 Å²	79	42.1 Å²	42.1	42%	0.422	21%	0.212	S	C	.	.	S	Bend	trans	-67.4	-29.9	179.8	-52.6	-76	0	0	0	111.4	T232	T232-D406 WeakPolarHBondContact CB-OD2 3.44Å; T232-D406 PolarHBondContact N-OD2 3.05Å; T232-D406 PolarHBondContact O-N 3.17Å
407	K	92.5	Very high	82.5	Confident	48 Å²	48	45.2 Å²	45.2	21%	0.209	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	131.8	167.8	-62.9	166.3	-172.5	151.7	0	108.7	T226 E231 T232 V233 A234 A405 I419	T226-K407 PolarHBondContact O-NZ 3.45Å; E231-K407 IonicContact OE1-NZ 2.66Å; E231-K407 PolarHBondContact OE1-NZ 2.89Å; E231-K407 IonicContact OE2-NZ 3.52Å; E231-K407 PolarHBondContact OE2-NZ 2.7Å; T232-K407 PolarHBondContact O-N 3.35Å; V233-K407 CarbonylContact C-O 3.55Å; V233-K407 VanDerWaalsContact CA-O 3.28Å; V233-K407 WeakPolarHBondContact CA-O 3.4Å; V233-K407 HydrophobicContact CG1-CB 4.31Å; V233-K407 HydrophobicContact CG2-CB 4.26Å; V233-K407 HydrophobicContact CG2-CD 4.28Å; A234-K407 PolarHBondContact N-O 3.36Å; A405-K407 PolarHBondContact O-N 3.16Å; K407-I419 HydrophobicContact CB-CG2 4.48Å
408	I	90.9	Very high	83.1	Confident	4 Å²	4	43.8 Å²	43.8	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	134.9	165.3	-59.5	166.6	0	0	0	106.6	A234 I236 I402 A405 V410 I419 G420 H422 L425	A234-I408 HydrophobicContact CB-CB 4.49Å; A234-I408 HydrophobicContact CB-CG1 4.03Å; A234-I408 CarbonylContact O-C 3.49Å; A234-I408 WeakPolarHBondContact O-CA 3.43Å; I236-I408 HydrophobicContact CG2-CG2 4.07Å; I402-I408 HydrophobicContact CD1-CD1 4.5Å; I402-I408 HydrophobicContact CD1-CG2 3.95Å; I402-I408 WeakPolarHBondContact O-CD1 3.23Å; A405-I408 HydrophobicContact CB-CG1 3.92Å; I408-V410 HydrophobicContact CG2-CG2 4.33Å; I408-I419 WeakPolarHBondContact O-CA 3.26Å; I408-G420 PolarHBondContact N-O 3.25Å; I408-G420 PolarHBondContact O-N 3.15Å; I408-G420 VanDerWaalsContact O-N 3.15Å; I408-H422 HydrophobicContact CD1-CB 3.71Å; I408-L425 HydrophobicContact CB-CD1 3.46Å; I408-L425 VanDerWaalsContact CB-CD1 3.46Å; I408-L425 HydrophobicContact CD1-CD1 4.48Å; I408-L425 HydrophobicContact CG2-CD1 3.61Å
409	V	91.6	Very high	84.1	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	115	176.5	-179.3	0	0	0	0	107.2	V233 A234 F235 I236 L411 V416 I419	V233-V409 HydrophobicContact CG1-CG2 3.99Å; A234-V409 PolarHBondContact O-N 3.45Å; F235-V409 WeakPolarHBondContact CA-O 3.42Å; F235-V409 HydrophobicContact CD1-CB 3.67Å; F235-V409 HydrophobicContact CD1-CG1 4.03Å; F235-V409 HydrophobicContact CD1-CG2 4.24Å; F235-V409 HydrophobicContact CE1-CB 3.87Å; F235-V409 HydrophobicContact CE1-CG1 4.18Å; F235-V409 HydrophobicContact CE1-CG2 3.95Å; I236-V409 PolarHBondContact N-O 3.17Å; V409-L411 HydrophobicContact CG1-CG 4.49Å; V409-V416 HydrophobicContact CG1-CG1 4Å; V409-V416 HydrophobicContact CG1-CG2 3.66Å; V409-I419 HydrophobicContact CG1-CG1 4.42Å; V409-I419 HydrophobicContact CG2-CD1 4.4Å; V409-I419 HydrophobicContact CG2-CG1 4.28Å; V409-I419 HydrophobicContact CG2-CG2 4.34Å
410	V	89.9	Confident	84.8	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	122.7	178.4	-171.2	0	0	0	0	109	I236 I408 V416 V417 G418 L425 I431	I236-V410 HydrophobicContact CG2-CG2 4.16Å; I236-V410 WeakPolarHBondContact O-CA 3.18Å; I408-V410 HydrophobicContact CG2-CG2 4.33Å; V410-V416 WeakPolarHBondContact O-CA 3.3Å; V410-V417 HydrophobicContact CB-CG2 3.93Å; V410-V417 HydrophobicContact CG1-CG2 3.65Å; V410-V417 WeakPolarHBondContact O-CG2 3.42Å; V410-V417 PolarHBondContact O-N 2.83Å; V410-G418 PolarHBondContact N-O 3.27Å; V410-L425 HydrophobicContact CG2-CD1 3.76Å; V410-L425 HydrophobicContact CG2-CD2 3.89Å; V410-L425 HydrophobicContact CG2-CG 4.28Å; V410-I431 VanDerWaalsContact CG1-O 3.27Å; V410-I431 WeakPolarHBondContact CG1-O 3.28Å
411	L	86.7	Confident	85.8	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	127.6	-179.7	-69.6	163.8	0	0	0	109.8	I220 F235 I236 G237 S241 K243 L246 V409 D415 V416	I220-L411 HydrophobicContact CD1-CD2 4.42Å; F235-L411 HydrophobicContact CD1-CD1 4.41Å; I236-L411 PolarHBondContact O-N 2.77Å; G237-L411 WeakPolarHBondContact CA-O 3.23Å; S241-L411 WeakPolarHBondContact CB-O 3.5Å; S241-L411 WeakPolarHBondContact OG-CB 3.46Å; S241-L411 PolarHBondContact OG-O 2.79Å; K243-L411 HydrophobicContact CB-CD1 4.35Å; K243-L411 HydrophobicContact CG-CD1 4.1Å; L246-L411 HydrophobicContact CD1-CD1 4.29Å; L246-L411 HydrophobicContact CD1-CD2 4.34Å; V409-L411 HydrophobicContact CG1-CG 4.49Å; L411-D415 WeakPolarHBondContact CA-O 3.28Å; L411-V416 HydrophobicContact CD2-CG2 3.67Å
412	N	84.8	Confident	86.1	Confident	41 Å²	41	42.5 Å²	42.5	22%	0.219	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126	166.3	-168.8	49	0	0	0	110.1	G414 D415 V417 I431	N412-G414 PolarHBondContact O-N 3.31Å; N412-D415 PolarHBondContact N-O 2.88Å; N412-D415 PolarHBondContact O-N 3.09Å; N412-V417 HydrophobicContact CB-CG1 3.75Å; N412-V417 HydrophobicContact CB-CG2 4.04Å; N412-I431 HydrophobicContact CB-CD1 3.98Å; N412-I431 HydrophobicContact CB-CG2 4.1Å; N412-I431 WeakPolarHBondContact OD1-CG2 3.14Å
413	E	80.3	Confident	85.6	Confident	140 Å²	140	51.9 Å²	51.9	65%	0.654	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	18.7	175.3	-63.6	175.5	-177.2	0	0	115.3	R221	R221-E413 PolarHBondContact NH1-O 3.28Å; R221-E413 PolarHBondContact NH2-O 3.11Å
414	G	79.8	Confident	85.6	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	104.5	-10.8	-177.3	0	0	0	0	0	116.8	V219 I220 R221 S241 N412	V219-G414 WeakPolarHBondContact O-CA 3.04Å; I220-G414 CarbonylContact C-O 3.59Å; I220-G414 WeakPolarHBondContact CA-O 3.39Å; R221-G414 PolarHBondContact N-O 3.23Å; S241-G414 PolarHBondContact O-N 3.42Å; N412-G414 PolarHBondContact O-N 3.31Å
415	D	85.2	Confident	85.6	Confident	69 Å²	69	47.2 Å²	47.2	37%	0.369	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	143.1	177	-68	-79.7	0	0	0	111.4	R221 L411 N412 V417	R221-D415 WeakPolarHBondContact CB-OD1 3.15Å; R221-D415 IonicContact CZ-OD2 2.73Å; R221-D415 IonicContact NH1-OD2 3.98Å; R221-D415 PolarHBondContact NH1-OD2 2.89Å; L411-D415 WeakPolarHBondContact CA-O 3.28Å; N412-D415 PolarHBondContact N-O 2.88Å; N412-D415 PolarHBondContact O-N 3.09Å; D415-V417 PolarHBondContact O-N 3.32Å
416	V	86.8	Confident	84.7	Confident	44 Å²	44	51.6 Å²	51.6	27%	0.267	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	104.7	167.6	173.7	0	0	0	0	108.9	V223 V409 V410 L411 I419	V223-V416 HydrophobicContact CB-CG2 4.22Å; V223-V416 HydrophobicContact CG1-CG2 3.68Å; V223-V416 HydrophobicContact CG2-CG2 3.67Å; V409-V416 HydrophobicContact CG1-CG1 4Å; V409-V416 HydrophobicContact CG1-CG2 3.66Å; V410-V416 WeakPolarHBondContact O-CA 3.3Å; L411-V416 HydrophobicContact CD2-CG2 3.67Å; V416-I419 HydrophobicContact CG1-CD1 4Å; V416-I419 HydrophobicContact CG1-CG1 3.49Å; V416-I419 VanDerWaalsContact CG1-CG1 3.49Å
417	V	85.7	Confident	83.7	Confident	64 Å²	64	55.3 Å²	55.3	39%	0.388	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-14.9	179.7	-71	0	0	0	0	112.9	V410 N412 D415 I431	V410-V417 HydrophobicContact CB-CG2 3.93Å; V410-V417 HydrophobicContact CG1-CG2 3.65Å; V410-V417 WeakPolarHBondContact O-CG2 3.42Å; V410-V417 PolarHBondContact O-N 2.83Å; N412-V417 HydrophobicContact CB-CG1 3.75Å; N412-V417 HydrophobicContact CB-CG2 4.04Å; D415-V417 PolarHBondContact O-N 3.32Å; V417-I431 HydrophobicContact CG2-CD1 4.49Å
418	G	85.9	Confident	82.9	Confident	15 Å²	15	60.2 Å²	60.2	16%	0.155	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167	143.2	172.3	0	0	0	0	0	113	V410	V410-G418 PolarHBondContact N-O 3.27Å
419	I	90.4	Very high	82.4	Confident	79 Å²	79	60.3 Å²	60.3	41%	0.405	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	132.3	162.3	-51.4	-176.4	0	0	0	107.9	F225 K407 I408 V409 V416	F225-I419 HydrophobicContact CB-CD1 4.04Å; K407-I419 HydrophobicContact CB-CG2 4.48Å; I408-I419 WeakPolarHBondContact O-CA 3.26Å; V409-I419 HydrophobicContact CG1-CG1 4.42Å; V409-I419 HydrophobicContact CG2-CD1 4.4Å; V409-I419 HydrophobicContact CG2-CG1 4.28Å; V409-I419 HydrophobicContact CG2-CG2 4.34Å; V416-I419 HydrophobicContact CG1-CD1 4Å; V416-I419 HydrophobicContact CG1-CG1 3.49Å; V416-I419 VanDerWaalsContact CG1-CG1 3.49Å
420	G	89.8	Confident	81.6	Confident	12 Å²	12	65.9 Å²	65.9	12%	0.124	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174	-174.3	176.6	0	0	0	0	0	111.7	I408 L425	I408-G420 PolarHBondContact N-O 3.25Å; I408-G420 PolarHBondContact O-N 3.15Å; I408-G420 VanDerWaalsContact O-N 3.15Å; G420-L425 WeakPolarHBondContact O-CD1 3.45Å
421	T	88.4	Confident	80.9	Confident	55 Å²	55	68.7 Å²	68.7	34%	0.337	35%	0.348	S	S	.	.			trans	-74.2	165.5	167.7	64.5	0	0	0	0	111	R423 E424 L425	T421-R423 VanDerWaalsContact C-N 3.28Å; T421-R423 PolarHBondContact O-N 3.24Å; T421-E424 WeakPolarHBondContact CB-OE2 3.35Å; T421-E424 PolarHBondContact N-OE2 2.89Å; T421-E424 PolarHBondContact O-N 2.83Å; T421-E424 VanDerWaalsContact O-N 3.11Å; T421-E424 WeakPolarHBondContact OG1-CG 3.38Å; T421-E424 PolarHBondContact OG1-OE2 3.28Å; T421-L425 PolarHBondContact O-N 3.31Å
422	H	81.8	Confident	80.4	Confident	39 Å²	39	70.6 Å²	70.6	18%	0.181	36%	0.356	C	S	.	.	H	α-helix	trans	-51.1	-44.4	179.3	176.1	58.5	0	0	0	113.9	M403 I408 L425 L426	M403-H422 HydrophobicContact CB-CB 4.39Å; M403-H422 VanDerWaalsContact O-CB 3.28Å; M403-H422 WeakPolarHBondContact O-CB 3.42Å; I408-H422 HydrophobicContact CD1-CB 3.71Å; H422-L425 PolarHBondContact O-N 3.46Å; H422-L426 VanDerWaalsContact CE1-CD1 3.43Å; H422-L426 WeakPolarHBondContact CE1-CD1 3.38Å; H422-L426 WeakPolarHBondContact NE2-CD1 3.5Å; H422-L426 PolarHBondContact O-N 3.5Å; H422-L426 VanDerWaalsContact O-N 3.08Å
423	R	71.3	Confident	79.3	Confident	201 Å²	201	73.5 Å²	73.5	76%	0.758	36%	0.364	S	S	*	.	H	α-helix	trans	-66	-43.2	178.9	-67	-177.7	177.4	174.6	-2	111.8	T421 L425 E427	T421-R423 VanDerWaalsContact C-N 3.28Å; T421-R423 PolarHBondContact O-N 3.24Å; R423-L425 VanDerWaalsContact C-N 3.3Å; R423-L425 PolarHBondContact O-N 3.2Å; R423-E427 WeakPolarHBondContact O-CG 3.28Å; R423-E427 PolarHBondContact O-N 3.44Å
424	E	77.9	Confident	78.5	Confident	84 Å²	84	70.6 Å²	70.6	39%	0.393	35%	0.353	S	S	.	.	H	α-helix	trans	-65.9	-32.9	179.6	-67.5	169.1	134.1	0	0	112.7	T421 K428	T421-E424 WeakPolarHBondContact CB-OE2 3.35Å; T421-E424 PolarHBondContact N-OE2 2.89Å; T421-E424 PolarHBondContact O-N 2.83Å; T421-E424 VanDerWaalsContact O-N 3.11Å; T421-E424 WeakPolarHBondContact OG1-CG 3.38Å; T421-E424 PolarHBondContact OG1-OE2 3.28Å; E424-K428 WeakPolarHBondContact O-CB 3.37Å; E424-K428 WeakPolarHBondContact O-CD 3.4Å; E424-K428 WeakPolarHBondContact O-CG 3.46Å; E424-K428 PolarHBondContact O-N 3.23Å
425	L	80.1	Confident	77.5	Confident	9 Å²	9	76.2 Å²	76.2	5%	0.047	38%	0.382	C	S	.	.	H	α-helix	trans	-82.4	-35.3	-179.3	-70.3	165.7	0	0	0	113.3	I408 V410 G420 T421 H422 R423 E427 K428 C429	I408-L425 HydrophobicContact CB-CD1 3.46Å; I408-L425 VanDerWaalsContact CB-CD1 3.46Å; I408-L425 HydrophobicContact CD1-CD1 4.48Å; I408-L425 HydrophobicContact CG2-CD1 3.61Å; V410-L425 HydrophobicContact CG2-CD1 3.76Å; V410-L425 HydrophobicContact CG2-CD2 3.89Å; V410-L425 HydrophobicContact CG2-CG 4.28Å; G420-L425 WeakPolarHBondContact O-CD1 3.45Å; T421-L425 PolarHBondContact O-N 3.31Å; H422-L425 PolarHBondContact O-N 3.46Å; R423-L425 VanDerWaalsContact C-N 3.3Å; R423-L425 PolarHBondContact O-N 3.2Å; L425-E427 PolarHBondContact O-N 3.3Å; L425-K428 PolarHBondContact O-N 3.03Å; L425-C429 HydrophobicContact CB-CB 4.46Å; L425-C429 HydrophobicContact CD2-CB 3.9Å; L425-C429 WeakPolarHBondContact O-CA 3.43Å; L425-C429 WeakPolarHBondContact O-CB 3.26Å; L425-C429 PolarHBondContact O-N 3.35Å
426	L	69.7	Low	76	Confident	100 Å²	100	77.2 Å²	77.2	52%	0.524	40%	0.4	S	S	.	.	H	α-helix	trans	-58.6	-37.8	170.5	-80.9	172.7	0	0	0	111.4	H422	H422-L426 VanDerWaalsContact CE1-CD1 3.43Å; H422-L426 WeakPolarHBondContact CE1-CD1 3.38Å; H422-L426 WeakPolarHBondContact NE2-CD1 3.5Å; H422-L426 PolarHBondContact O-N 3.5Å; H422-L426 VanDerWaalsContact O-N 3.08Å
427	E	67.9	Low	73.9	Confident	158 Å²	158	78.9 Å²	78.9	74%	0.738	42%	0.419	S	S	*	.	H	α-helix	trans	-74.9	-27	176.5	-70.7	177.7	-176.1	0	0	114	R423 L425	R423-E427 WeakPolarHBondContact O-CG 3.28Å; R423-E427 PolarHBondContact O-N 3.44Å; L425-E427 PolarHBondContact O-N 3.3Å
428	K	76.3	Confident	70.9	Confident	150 Å²	150	80.9 Å²	80.9	65%	0.652	44%	0.435	S	S	*	.	H	α-helix	trans	-121.8	-10	-165.5	-60.2	173.3	-173.6	169	0	116	E424 L425	E424-K428 WeakPolarHBondContact O-CB 3.37Å; E424-K428 WeakPolarHBondContact O-CD 3.4Å; E424-K428 WeakPolarHBondContact O-CG 3.46Å; E424-K428 PolarHBondContact O-N 3.23Å; L425-K428 PolarHBondContact O-N 3.03Å
429	C	80.3	Confident	67.7	Low	6 Å²	6	89.5 Å²	89.5	4%	0.041	47%	0.472	C	S	.	.			trans	-149.4	88.1	-166.2	-176.1	0	0	0	0	114.9	L425 I431	L425-C429 HydrophobicContact CB-CB 4.46Å; L425-C429 HydrophobicContact CD2-CB 3.9Å; L425-C429 WeakPolarHBondContact O-CA 3.43Å; L425-C429 WeakPolarHBondContact O-CB 3.26Å; L425-C429 PolarHBondContact O-N 3.35Å; C429-I431 PolarHBondContact O-N 2.92Å; C429-I431 VanDerWaalsContact O-N 3.11Å
430	P	74.9	Confident	64.5	Low	118 Å²	118	94.1 Å²	94.1	77%	0.766	50%	0.496	S	S	*	.			trans	-84.6	48.2	-168.9	-17.5	35.1	0	0	0	119.2
431	I	75	Confident	61.3	Low	58 Å²	58	98 Å²	98	30%	0.297	52%	0.522	S	S	.	.			trans	-140	134.5	-170	-47.1	-180	0	0	0	114.3	V410 N412 V417 C429	V410-I431 VanDerWaalsContact CG1-O 3.27Å; V410-I431 WeakPolarHBondContact CG1-O 3.28Å; N412-I431 HydrophobicContact CB-CD1 3.98Å; N412-I431 HydrophobicContact CB-CG2 4.1Å; N412-I431 WeakPolarHBondContact OD1-CG2 3.14Å; V417-I431 HydrophobicContact CG2-CD1 4.49Å; C429-I431 PolarHBondContact O-N 2.92Å; C429-I431 VanDerWaalsContact O-N 3.11Å
432	Y	75.9	Confident	58.4	Low	41 Å²	41	101.9 Å²	101.9	16%	0.161	53%	0.534	C	S	.	.			trans	-146	-35.7	-168.4	-63.6	105.7	0	0	0	122.9	I236 G237 V399	I236-Y432 HydrophobicContact CD1-CD2 3.93Å; I236-Y432 HydrophobicContact CG1-CD2 4.06Å; I236-Y432 HydrophobicContact CG2-CD2 4.09Å; I236-Y432 HydrophobicContact CG2-CE2 4.27Å; G237-Y432 CarbonylContact C-O 3.47Å; G237-Y432 VanDerWaalsContact CA-O 3.23Å; G237-Y432 WeakPolarHBondContact CA-O 2.96Å; G237-Y432 PolarHBondContact N-O 3.37Å; G237-Y432 VanDerWaalsContact O-O 3.09Å; V399-Y432 HydrophobicContact CG2-CD2 4.12Å; V399-Y432 HydrophobicContact CG2-CE2 4.37Å
433	Y	61.1	Low	55.8	Low	101 Å²	101	106.2 Å²	106.2	40%	0.396	55%	0.554	S	S	.	*			trans	-100.9	-80.7	-146.4	-57.6	146.4	0	0	0	122.7	T910	Y433-T910 PolarHBondContact OH-OG1 2.9Å
434	D	64.7	Low	53.5	Low	79 Å²	79	101.1 Å²	101.1	42%	0.422	54%	0.539	S	S	.	.			trans	-65.5	168.5	-135.1	-65.2	83.9	0	0	0	122	S238 T239 R911	S238-D434 CarbonylContact C-O 3.53Å; S238-D434 WeakPolarHBondContact CA-O 3.5Å; S238-D434 PolarHBondContact OG-O 2.89Å; T239-D434 PolarHBondContact N-O 3.46Å; D434-R911 IonicContact OD1-CZ 3.77Å; D434-R911 IonicContact OD1-NH1 3.55Å; D434-R911 IonicContact OD1-NH2 2.75Å; D434-R911 PolarHBondContact OD1-NH2 3.09Å; D434-R911 IonicContact OD2-CZ 2.8Å; D434-R911 IonicContact OD2-NH2 3.97Å; D434-R911 PolarHBondContact OD2-NH2 3.02Å
435	I	58.8	Low	50.8	Low	119 Å²	119	100.1 Å²	100.1	61%	0.61	54%	0.536	S	S	*	.			trans	-123	-158.3	-158.3	-29.6	179.6	0	0	0	114.5
436	A	52.4	Low	48.1	Very low	89 Å²	89	104.5 Å²	104.5	74%	0.736	56%	0.563	S	S	*	*			trans	-162.1	166.4	-167.3	0	0	0	0	0	115.4
437	A	43	Very low	45.8	Very low	80 Å²	80	101.9 Å²	101.9	66%	0.661	55%	0.553	S	S	*	*			trans	-155.4	-177.2	-171.3	0	0	0	0	0	117.5
438	S	23.2	Very low	43.6	Very low	106 Å²	106	96.5 Å²	96.5	74%	0.741	53%	0.527	S	S	*	.			trans	77.8	147.7	165.7	78.7	0	0	0	0	122.3
439	Q	18.6	Very low	41.1	Very low	195 Å²	195	93 Å²	93	91%	0.911	52%	0.516	S	S	*	.			trans	179.4	143	166.8	-101.9	144.3	97.6	0	0	115
440	L	23.2	Very low	38.5	Very low	176 Å²	176	97 Å²	97	92%	0.921	54%	0.536	S	S	*	.			trans	-173.7	176.1	172.1	-106.4	168.8	0	0	0	110.6
441	S	23	Very low	36.3	Very low	95 Å²	95	93.1 Å²	93.1	66%	0.664	51%	0.514	S	S	*	.			cis	-160.4	-154.1	3.8	58.3	0	0	0	0	108.5
442	K	26.7	Very low	34.3	Very low	135 Å²	135	94.1 Å²	94.1	59%	0.587	52%	0.517	S	S	*	.			cis	179.6	166	-13.6	-111.1	170.6	171.1	-74.6	0	105.7
443	E	27.8	Very low	31.8	Very low	130 Å²	130	93.6 Å²	93.6	61%	0.607	52%	0.524	S	S	*	.			cis	-169.9	-177.1	-7.9	-100.7	162	168.9	0	0	107.2
444	E	22.9	Very low	30	Very low	94 Å²	94	94.3 Å²	94.3	44%	0.439	53%	0.531	S	S	.	.			cis	-145.7	-141.1	21	-64.7	-168.8	-2.8	0	0	112.5	R168	R168-E444 WeakPolarHBondContact CB-OE1 3.48Å; R168-E444 IonicContact CZ-OE1 3.21Å; R168-E444 IonicContact CZ-OE2 2.71Å; R168-E444 IonicContact NE-OE1 3.06Å; R168-E444 PolarHBondContact NE-OE1 3.34Å; R168-E444 IonicContact NE-OE2 2.69Å; R168-E444 PolarHBondContact NE-OE2 2.92Å; R168-E444 IonicContact NH2-OE1 2.59Å; R168-E444 PolarHBondContact NH2-OE1 3.34Å; R168-E444 IonicContact NH2-OE2 3.94Å; R168-E444 PolarHBondContact NH2-OE2 2.91Å
445	L	21.9	Very low	28.2	Very low	64 Å²	64	92.7 Å²	92.7	34%	0.335	53%	0.525	S	S	.	.			cis	-159.3	-161.7	-2.1	-168.9	40.8	0	0	0	108.9	M165 R168 A169	M165-L445 HydrophobicContact CE-CD1 4.13Å; R168-L445 HydrophobicContact CB-CD2 3.9Å; A169-L445 HydrophobicContact CB-CD2 3.93Å
446	V	22.6	Very low	27.5	Very low	100 Å²	100	87.1 Å²	87.1	61%	0.606	50%	0.497	S	S	*	.			cis	-162.6	-170	16.4	-148.6	0	0	0	0	112.4
447	S	21.3	Very low	28.4	Very low	46 Å²	46	86.7 Å²	86.7	32%	0.322	48%	0.482	S	S	.	.			trans	-160.8	-166.1	-177.5	55.5	0	0	0	0	118.5	M1 M165	M1-S447 PolarHBondContact N-O 3.22Å; M165-S447 PolarHBondContact SD-OG 3.23Å
448	K	22.1	Very low	30	Very low	45 Å²	45	84.3 Å²	84.3	20%	0.196	46%	0.457	C	S	.	.			trans	130.7	172	147.8	-65.3	-72.1	120.4	61.4	0	124.6	T2 T3 T161 M165	T2-K448 WeakPolarHBondContact CB-O 3.3Å; T2-K448 WeakPolarHBondContact OG1-CA 3.42Å; T2-K448 WeakPolarHBondContact OG1-CB 3.47Å; T2-K448 PolarHBondContact OG1-O 3.32Å; T3-K448 HydrophobicContact CG2-CB 3.69Å; T3-K448 HydrophobicContact CG2-CD 4.05Å; T3-K448 HydrophobicContact CG2-CG 4.28Å; T3-K448 WeakPolarHBondContact OG1-CB 3.49Å; T3-K448 VanDerWaalsContact OG1-CD 3.27Å; T3-K448 WeakPolarHBondContact OG1-CD 3.08Å; T3-K448 WeakPolarHBondContact OG1-CG 3.33Å; T161-K448 WeakPolarHBondContact O-CE 3.5Å; T161-K448 PolarHBondContact O-NZ 3.36Å; M165-K448 PolarHBondContact SD-NZ 3.34Å; M165-K448 VanDerWaalsContact SD-NZ 3.37Å
449	N	23.1	Very low	32.6	Very low	76 Å²	76	85.1 Å²	85.1	41%	0.406	45%	0.453	S	S	.	.			trans	-132.7	-154	-148.3	-44.1	77.8	0	0	0	123.7	T3 L158	T3-N449 HydrophobicContact CG2-CB 4.13Å; L158-N449 HydrophobicContact CD1-CB 3.91Å; L158-N449 HydrophobicContact CD2-CB 3.82Å; L158-N449 WeakPolarHBondContact CD2-OD1 3.49Å
450	I	26.2	Very low	35.4	Very low	90 Å²	90	83.1 Å²	83.1	46%	0.462	44%	0.438	S	S	.	.			trans	-141.1	0	-159.6	47.5	47.6	0	0	0	117.8	M6 M10 F154	M6-I450 HydrophobicContact CE-CB 4.28Å; M6-I450 HydrophobicContact CE-CG2 4.09Å; M6-I450 HydrophobicContact SD-CB 4.39Å; M6-I450 HydrophobicContact SD-CG2 3.82Å; M10-I450 VanDerWaalsContact CE-O 3.28Å; M10-I450 WeakPolarHBondContact CE-O 3.08Å; M10-I450 VanDerWaalsContact SD-O 3.34Å; F154-I450 HydrophobicContact CE1-CD1 4.01Å; F154-I450 WeakPolarHBondContact CE1-O 3.31Å
451	A	28.4	Very low	38	Very low	37 Å²	37	75.8 Å²	75.8	31%	0.306	40%	0.401	S	S	.	.				0	0	0	0	0	0	0	0	118.8	M10 H151	M10-A451 WeakPolarHBondContact CG-O 3.38Å; M10-A451 PolarHBondContact SD-N 3.04Å; H151-A451 PolarHBondContact CD2-O 3.45Å
452	Q	33	Very low	41	Very low	79 Å²	79	77 Å²	77	37%	0.369	39%	0.394	S	S	.	.				0	0	0	-148.3	78.8	92.4	0	0	116.7	S14 H151	S14-Q452 PolarHBondContact OG-NE2 3.01Å; S14-Q452 PolarHBondContact OG-OE1 2.9Å; H151-Q452 PolarHBondContact CD2-N 3.49Å; H151-Q452 VanDerWaalsContact CD2-N 3.27Å; H151-Q452 VanDerWaalsContact CE1-C 3.46Å; H151-Q452 PolarHBondContact CE1-O 3.38Å; H151-Q452 WeakPolarHBondContact ND1-CA 3.45Å; H151-Q452 PolarHBondContact NE2-N 2.95Å
453	G	24.2	Very low	44	Very low	29 Å²	29	78.5 Å²	78.5	30%	0.299	40%	0.401	S	S	.	.				0	177.2	0	0	0	0	0	0	119.1
454	E	23	Very low	46.9	Very low	117 Å²	117	78.6 Å²	78.6	55%	0.547	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	115.9	-133.4	160.7	-121.3	79.5	135.5	0	0	130.6	A144 F145 Y148	A144-E454 CarbonylContact C-O 3.29Å; A144-E454 VanDerWaalsContact CA-C 3.4Å; A144-E454 WeakPolarHBondContact CA-O 3.34Å; A144-E454 HydrophobicContact CB-CB 4.44Å; A144-E454 VanDerWaalsContact CB-N 3.3Å; A144-E454 WeakPolarHBondContact CB-O 3.32Å; A144-E454 PolarHBondContact N-O 2.98Å; A144-E454 PolarHBondContact O-N 3.06Å; F145-E454 PolarHBondContact N-O 3.2Å; Y148-E454 VanDerWaalsContact CE1-N 3.32Å; Y148-E454 VanDerWaalsContact CE1-OE2 3.31Å; Y148-E454 WeakPolarHBondContact CE1-OE2 3.46Å; Y148-E454 PolarHBondContact OH-OE2 3.4Å
455	S	27.4	Very low	50	Low	44 Å²	44	74.3 Å²	74.3	31%	0.308	38%	0.376	S	S	.	.			trans	32.1	0	163.3	161.5	0	0	0	0	128.7	G140 T141 L142 I143 A144	G140-S455 CarbonylContact C-O 3.52Å; G140-S455 VanDerWaalsContact C-O 3.29Å; G140-S455 CarbonylContact O-C 3.43Å; G140-S455 WeakPolarHBondContact O-CA 3.47Å; G140-S455 WeakPolarHBondContact O-CB 3.38Å; G140-S455 PolarHBondContact O-N 3.41Å; G140-S455 VanDerWaalsContact O-O 3.06Å; T141-S455 CarbonylContact C-O 3.58Å; T141-S455 WeakPolarHBondContact CA-O 3.37Å; T141-S455 PolarHBondContact N-O 2.85Å; L142-S455 CarbonylContact C-O 2.73Å; L142-S455 VanDerWaalsContact C-O 3.24Å; L142-S455 WeakPolarHBondContact CA-O 3.48Å; L142-S455 PolarHBondContact N-O 3.3Å; I143-S455 WeakPolarHBondContact CA-O 3.31Å; I143-S455 WeakPolarHBondContact CB-O 3.08Å; I143-S455 PolarHBondContact N-O 2.79Å; A144-S455 PolarHBondContact N-O 3.47Å; A144-S455 VanDerWaalsContact N-O 3.14Å
456	I	44.5	Very low	53.3	Low	2 Å²	2	75.1 Å²	75.1	1%	0.01	38%	0.38	C	S	.	.				0	160.1	0	-153.6	142.8	0	0	0	122.1	T129 I132 A138 V139 G140 L142 I143	T129-I456 HydrophobicContact CG2-CD1 3.87Å; T129-I456 VanDerWaalsContact OG1-CD1 3.31Å; T129-I456 WeakPolarHBondContact OG1-CD1 3.39Å; I132-I456 HydrophobicContact CD1-CB 4.47Å; I132-I456 HydrophobicContact CD1-CD1 3.8Å; I132-I456 HydrophobicContact CD1-CG1 3.86Å; I132-I456 HydrophobicContact CD1-CG2 3.69Å; A138-I456 WeakPolarHBondContact O-CG2 3.43Å; V139-I456 CarbonylContact C-O 3.52Å; V139-I456 VanDerWaalsContact C-O 3.29Å; V139-I456 WeakPolarHBondContact CA-O 3.26Å; V139-I456 WeakPolarHBondContact CG1-O 3.35Å; G140-I456 VanDerWaalsContact N-CG2 3.35Å; G140-I456 PolarHBondContact N-O 3.1Å; G140-I456 PolarHBondContact O-N 3.44Å; L142-I456 HydrophobicContact CB-CB 4.15Å; L142-I456 HydrophobicContact CB-CD1 3.4Å; L142-I456 VanDerWaalsContact CB-CD1 3.4Å; L142-I456 HydrophobicContact CB-CG1 4.25Å; L142-I456 HydrophobicContact CB-CG2 4.29Å; L142-I456 HydrophobicContact CD2-CD1 3.59Å; L142-I456 HydrophobicContact CG-CD1 3.35Å; I143-I456 HydrophobicContact CB-CB 4.13Å; I143-I456 HydrophobicContact CB-CG1 4.35Å; I143-I456 HydrophobicContact CG1-CB 4.22Å; I143-I456 HydrophobicContact CG1-CG1 4.02Å; I143-I456 VanDerWaalsContact N-CD1 3.32Å
457	N	70.1	Confident	56.5	Low	81 Å²	81	73.5 Å²	73.5	43%	0.433	37%	0.37	S	S	.	.			trans	-142	162.6	133	-164.8	13.7	0	0	0	114.5	T129 V139	T129-N457 WeakPolarHBondContact CG2-O 3.46Å; V139-N457 HydrophobicContact CG1-CB 4.03Å
458	F	76.8	Confident	59.7	Low	30 Å²	30	73.7 Å²	73.7	13%	0.132	37%	0.367	C	S	.	.			trans	-86.3	-129.2	177.6	-146.9	-58.1	0	0	0	112.1	W126 G128 T129 V130 Q131 I132 V461	W126-F458 VanDerWaalsContact O-CZ 3.31Å; W126-F458 WeakPolarHBondContact O-CZ 3.36Å; G128-F458 WeakPolarHBondContact O-CD2 3.44Å; G128-F458 WeakPolarHBondContact O-CE2 3.3Å; T129-F458 VanDerWaalsContact CA-CZ 3.43Å; T129-F458 HydrophobicContact CG2-CB 4.35Å; T129-F458 HydrophobicContact CG2-CG 4.25Å; T129-F458 WeakPolarHBondContact O-CD1 3.24Å; T129-F458 WeakPolarHBondContact O-CD2 3.44Å; T129-F458 WeakPolarHBondContact O-CE1 3.27Å; T129-F458 WeakPolarHBondContact O-CE2 3.32Å; T129-F458 WeakPolarHBondContact O-CG 3.46Å; T129-F458 WeakPolarHBondContact O-CZ 3.31Å; V130-F458 VanDerWaalsContact CA-CE1 3.49Å; V130-F458 HydrophobicContact CB-CD2 4.33Å; V130-F458 HydrophobicContact CB-CE1 3.68Å; V130-F458 HydrophobicContact CB-CE2 3.44Å; V130-F458 VanDerWaalsContact CB-CE2 3.44Å; V130-F458 HydrophobicContact CB-CZ 3.09Å; V130-F458 HydrophobicContact CG1-CZ 4.5Å; V130-F458 HydrophobicContact CG2-CD1 4.33Å; V130-F458 HydrophobicContact CG2-CE1 3.48Å; V130-F458 VanDerWaalsContact CG2-CE1 3.48Å; V130-F458 HydrophobicContact CG2-CE2 4.5Å; V130-F458 HydrophobicContact CG2-CZ 3.63Å; Q131-F458 VanDerWaalsContact N-CD2 3.35Å; I132-F458 HydrophobicContact CB-CB 3.62Å; I132-F458 HydrophobicContact CB-CD2 3.58Å; I132-F458 HydrophobicContact CB-CG 4.03Å; I132-F458 HydrophobicContact CD1-CB 3.65Å; I132-F458 HydrophobicContact CD1-CD2 3.77Å; I132-F458 HydrophobicContact CD1-CG 4.2Å; I132-F458 HydrophobicContact CG1-CB 4.09Å; I132-F458 HydrophobicContact CG1-CD2 3.64Å; I132-F458 HydrophobicContact CG1-CG 4.43Å; I132-F458 HydrophobicContact CG2-CB 3.9Å; F458-V461 HydrophobicContact CE1-CG1 4.07Å
459	D	78	Confident	63	Low	123 Å²	123	74.3 Å²	74.3	66%	0.658	37%	0.374	S	S	*	.	S	Bend	trans	57.7	-161.4	-169.1	-162.6	64.4	0	0	0	114.5	V461	D459-V461 VanDerWaalsContact C-N 3.31Å; D459-V461 WeakPolarHBondContact O-CB 3.44Å; D459-V461 PolarHBondContact O-N 3.49Å
460	Y	76.7	Confident	66.2	Low	153 Å²	153	75.3 Å²	75.3	60%	0.6	38%	0.378	S	S	*	.	S	Bend	trans	66.2	-40.7	156.7	-122.5	-131.7	0	0	0	120.4	W464	Y460-W464 AromaticContact CD1-CD1 3.25Å; Y460-W464 HydrophobicContact CD1-CG 4.16Å; Y460-W464 AromaticContact CD1-NE1 3.34Å; Y460-W464 VanDerWaalsContact CD1-NE1 3.34Å; Y460-W464 AromaticContact CE1-CD1 3.59Å; Y460-W464 AromaticContact CE1-CE2 3.85Å; Y460-W464 HydrophobicContact CE1-CG 4.48Å; Y460-W464 HydrophobicContact CE1-CZ2 4.43Å; Y460-W464 AromaticContact CE1-NE1 3.11Å; Y460-W464 AromaticContact CZ-NE1 3.85Å
461	V	78.6	Confident	69.3	Low	22 Å²	22	75.3 Å²	75.3	13%	0.133	38%	0.383	C	S	.	.	H	α-helix		-94.9	-27.8	-123.1	88.4	0	0	0	0	119	I125 T129 F458 D459 K463 W464 L465	I125-V461 HydrophobicContact CG2-CB 4.15Å; I125-V461 HydrophobicContact CG2-CG1 3.75Å; I125-V461 HydrophobicContact CG2-CG2 3.39Å; T129-V461 WeakPolarHBondContact O-CG1 3.32Å; F458-V461 HydrophobicContact CE1-CG1 4.07Å; D459-V461 VanDerWaalsContact C-N 3.31Å; D459-V461 WeakPolarHBondContact O-CB 3.44Å; D459-V461 PolarHBondContact O-N 3.49Å; V461-K463 VanDerWaalsContact C-N 3.27Å; V461-K463 PolarHBondContact O-N 2.88Å; V461-K463 VanDerWaalsContact O-N 3.1Å; V461-W464 HydrophobicContact CG2-CB 4.44Å; V461-W464 CarbonylContact O-C 3.29Å; V461-W464 WeakPolarHBondContact O-CA 3.39Å; V461-W464 PolarHBondContact O-N 3.35Å; V461-L465 HydrophobicContact CG1-CD1 4.16Å; V461-L465 HydrophobicContact CG1-CG 4.28Å; V461-L465 HydrophobicContact CG2-CD2 4.49Å; V461-L465 HydrophobicContact CG2-CG 4.26Å; V461-L465 PolarHBondContact O-N 3.09Å
462	F	86.3	Confident	72.2	Confident	120 Å²	120	73.9 Å²	73.9	53%	0.526	37%	0.371	S	S	.	.	H	α-helix	trans	-53.2	-40.8	-174.5	-170	-114.9	0	0	0	114.3	W126 L465 I466	W126-F462 HydrophobicContact CE3-CB 4.43Å; W126-F462 AromaticContact CE3-CD2 3.77Å; W126-F462 HydrophobicContact CE3-CD2 3.77Å; W126-F462 HydrophobicContact CH2-CD2 4.08Å; W126-F462 HydrophobicContact CZ3-CB 3.8Å; W126-F462 AromaticContact CZ3-CD2 3.51Å; W126-F462 HydrophobicContact CZ3-CD2 3.51Å; W126-F462 HydrophobicContact CZ3-CE2 4.44Å; W126-F462 AromaticContact CZ3-CG 3.96Å; W126-F462 HydrophobicContact CZ3-CG 3.96Å; F462-L465 WeakPolarHBondContact O-CB 3.44Å; F462-L465 PolarHBondContact O-N 3.45Å; F462-I466 HydrophobicContact CD1-CD1 4.14Å; F462-I466 HydrophobicContact CE1-CD1 3.71Å; F462-I466 HydrophobicContact CZ-CD1 4.12Å; F462-I466 PolarHBondContact O-N 3.23Å
463	K	89.2	Confident	74.9	Confident	167 Å²	167	74.4 Å²	74.4	73%	0.726	38%	0.375	S	S	*	.	H	α-helix	trans	-65.8	-41.9	177.3	-66.7	178.8	-179.3	176.3	0	111.3	V461 I466 V467	V461-K463 VanDerWaalsContact C-N 3.27Å; V461-K463 PolarHBondContact O-N 2.88Å; V461-K463 VanDerWaalsContact O-N 3.1Å; K463-I466 PolarHBondContact O-N 2.98Å; K463-V467 WeakPolarHBondContact O-CG2 3.29Å; K463-V467 PolarHBondContact O-N 3.37Å
464	W	89.1	Confident	78.2	Confident	131 Å²	131	77.1 Å²	77.1	50%	0.496	39%	0.386	S	S	.	.	H	α-helix	trans	-70.3	-30.2	175.7	-74.3	105.3	0	0	0	112.8	Y460 V461 V467 I468	Y460-W464 AromaticContact CD1-CD1 3.25Å; Y460-W464 HydrophobicContact CD1-CG 4.16Å; Y460-W464 AromaticContact CD1-NE1 3.34Å; Y460-W464 VanDerWaalsContact CD1-NE1 3.34Å; Y460-W464 AromaticContact CE1-CD1 3.59Å; Y460-W464 AromaticContact CE1-CE2 3.85Å; Y460-W464 HydrophobicContact CE1-CG 4.48Å; Y460-W464 HydrophobicContact CE1-CZ2 4.43Å; Y460-W464 AromaticContact CE1-NE1 3.11Å; Y460-W464 AromaticContact CZ-NE1 3.85Å; V461-W464 HydrophobicContact CG2-CB 4.44Å; V461-W464 CarbonylContact O-C 3.29Å; V461-W464 WeakPolarHBondContact O-CA 3.39Å; V461-W464 PolarHBondContact O-N 3.35Å; W464-V467 HydrophobicContact CE3-CB 4.32Å; W464-V467 HydrophobicContact CE3-CG1 4.3Å; W464-V467 HydrophobicContact CZ3-CG1 4.36Å; W464-V467 PolarHBondContact O-N 2.94Å; W464-I468 WeakPolarHBondContact O-CB 3.24Å; W464-I468 WeakPolarHBondContact O-CD1 3.41Å; W464-I468 WeakPolarHBondContact O-CG1 3.44Å; W464-I468 PolarHBondContact O-N 2.96Å
465	L	88.5	Confident	81.4	Confident	5 Å²	5	75.7 Å²	75.7	3%	0.026	38%	0.376	C	S	.	.	H	α-helix	trans	-60.5	-45.5	170.1	-72.3	-179.4	0	0	0	111.7	V122 I125 W126 V461 F462 V467 I468 V469	V122-L465 HydrophobicContact CB-CD2 4.16Å; V122-L465 HydrophobicContact CG1-CB 4.31Å; V122-L465 HydrophobicContact CG1-CD1 4.36Å; V122-L465 HydrophobicContact CG1-CD2 4.06Å; V122-L465 HydrophobicContact CG1-CG 4.49Å; V122-L465 HydrophobicContact CG2-CD2 4.06Å; I125-L465 HydrophobicContact CB-CD2 3.76Å; I125-L465 HydrophobicContact CD1-CD2 4.26Å; I125-L465 HydrophobicContact CG2-CD1 4.37Å; I125-L465 HydrophobicContact CG2-CD2 3.51Å; I125-L465 HydrophobicContact CG2-CG 4.15Å; W126-L465 HydrophobicContact CB-CD1 3.8Å; W126-L465 HydrophobicContact CE3-CD1 4.04Å; V461-L465 HydrophobicContact CG1-CD1 4.16Å; V461-L465 HydrophobicContact CG1-CG 4.28Å; V461-L465 HydrophobicContact CG2-CD2 4.49Å; V461-L465 HydrophobicContact CG2-CG 4.26Å; V461-L465 PolarHBondContact O-N 3.09Å; F462-L465 WeakPolarHBondContact O-CB 3.44Å; F462-L465 PolarHBondContact O-N 3.45Å; L465-V467 VanDerWaalsContact C-N 3.33Å; L465-V467 PolarHBondContact O-N 3.49Å; L465-I468 PolarHBondContact O-N 3.03Å; L465-V469 WeakPolarHBondContact O-CG2 3.31Å; L465-V469 PolarHBondContact O-N 2.86Å
466	I	90.2	Very high	84.3	Confident	81 Å²	81	73.9 Å²	73.9	42%	0.415	36%	0.364	S	S	.	.	H	α-helix	trans	-60.7	-44.3	175.5	-65.9	170.1	0	0	0	110.5	F462 K463 V469 I470	F462-I466 HydrophobicContact CD1-CD1 4.14Å; F462-I466 HydrophobicContact CE1-CD1 3.71Å; F462-I466 HydrophobicContact CZ-CD1 4.12Å; F462-I466 PolarHBondContact O-N 3.23Å; K463-I466 PolarHBondContact O-N 2.98Å; I466-V469 PolarHBondContact O-N 2.83Å; I466-I470 HydrophobicContact CG2-CD1 3.94Å; I466-I470 WeakPolarHBondContact O-CG1 3.29Å; I466-I470 PolarHBondContact O-N 2.83Å
467	V	91	Very high	86.6	Confident	66 Å²	66	75.8 Å²	75.8	40%	0.4	38%	0.383	S	S	.	.	H	α-helix	trans	-61.7	-44.8	176	176.1	0	0	0	0	111.3	K463 W464 L465 V469 I470 V471	K463-V467 WeakPolarHBondContact O-CG2 3.29Å; K463-V467 PolarHBondContact O-N 3.37Å; W464-V467 HydrophobicContact CE3-CB 4.32Å; W464-V467 HydrophobicContact CE3-CG1 4.3Å; W464-V467 HydrophobicContact CZ3-CG1 4.36Å; W464-V467 PolarHBondContact O-N 2.94Å; L465-V467 VanDerWaalsContact C-N 3.33Å; L465-V467 PolarHBondContact O-N 3.49Å; V467-V469 PolarHBondContact O-N 3.01Å; V467-I470 PolarHBondContact O-N 3.19Å; V467-V471 HydrophobicContact CG1-CG2 4.18Å; V467-V471 WeakPolarHBondContact O-CB 3.39Å; V467-V471 VanDerWaalsContact O-CG2 3.3Å; V467-V471 WeakPolarHBondContact O-CG2 3.39Å; V467-V471 PolarHBondContact O-N 2.92Å
468	I	88.4	Confident	87.6	Confident	50 Å²	50	75.6 Å²	75.6	26%	0.256	39%	0.386	S	S	.	.	H	α-helix	trans	-61.5	-42.4	176.8	-72.9	164.1	0	0	0	111.2	M121 V122 W464 L465 G472	M121-I468 HydrophobicContact CE-CG2 3.53Å; V122-I468 HydrophobicContact CG2-CG2 4.19Å; W464-I468 WeakPolarHBondContact O-CB 3.24Å; W464-I468 WeakPolarHBondContact O-CD1 3.41Å; W464-I468 WeakPolarHBondContact O-CG1 3.44Å; W464-I468 PolarHBondContact O-N 2.96Å; L465-I468 PolarHBondContact O-N 3.03Å; I468-G472 WeakPolarHBondContact O-CA 3.37Å; I468-G472 PolarHBondContact O-N 2.85Å
469	V	89.6	Confident	88.2	Confident	57 Å²	57	76.6 Å²	76.6	35%	0.345	39%	0.391	S	S	.	.	H	α-helix	trans	-61.5	-46.5	175.3	170.8	0	0	0	0	110.6	V122 L465 I466 V467 G472 I473	V122-V469 HydrophobicContact CB-CG2 4.33Å; V122-V469 HydrophobicContact CG1-CG2 4.06Å; V122-V469 HydrophobicContact CG2-CG2 3.54Å; L465-V469 WeakPolarHBondContact O-CG2 3.31Å; L465-V469 PolarHBondContact O-N 2.86Å; I466-V469 PolarHBondContact O-N 2.83Å; V467-V469 PolarHBondContact O-N 3.01Å; V469-G472 PolarHBondContact O-N 3Å; V469-I473 HydrophobicContact CG1-CD1 3.74Å; V469-I473 HydrophobicContact CG1-CG1 4.45Å; V469-I473 WeakPolarHBondContact O-CB 3.44Å; V469-I473 VanDerWaalsContact O-CG1 3.26Å; V469-I473 WeakPolarHBondContact O-CG1 3.3Å; V469-I473 PolarHBondContact O-N 2.9Å
470	I	91.7	Very high	88.8	Confident	97 Å²	97	73.8 Å²	73.8	50%	0.497	38%	0.375	S	S	.	.	H	α-helix	trans	-63.7	-49.9	179.1	-67.2	168.1	0	0	0	110.8	I466 V467 G472 I473 V474	I466-I470 HydrophobicContact CG2-CD1 3.94Å; I466-I470 WeakPolarHBondContact O-CG1 3.29Å; I466-I470 PolarHBondContact O-N 2.83Å; V467-I470 PolarHBondContact O-N 3.19Å; I470-G472 VanDerWaalsContact C-N 3.3Å; I470-G472 PolarHBondContact O-N 3.07Å; I470-I473 PolarHBondContact O-N 2.88Å; I470-V474 WeakPolarHBondContact O-CG2 3.46Å; I470-V474 PolarHBondContact O-N 3.02Å
471	V	90.8	Very high	89.5	Confident	91 Å²	91	68 Å²	68	55%	0.552	36%	0.362	S	S	*	.	H	α-helix	trans	-61.6	-39.4	177.9	172.3	0	0	0	0	110.9	V467 V474 Y475	V467-V471 HydrophobicContact CG1-CG2 4.18Å; V467-V471 WeakPolarHBondContact O-CB 3.39Å; V467-V471 VanDerWaalsContact O-CG2 3.3Å; V467-V471 WeakPolarHBondContact O-CG2 3.39Å; V467-V471 PolarHBondContact O-N 2.92Å; V471-V474 PolarHBondContact O-N 3.49Å; V471-Y475 WeakPolarHBondContact O-CB 3.47Å; V471-Y475 PolarHBondContact O-N 3.49Å
472	G	88.5	Confident	90	Very high	6 Å²	6	69.8 Å²	69.8	6%	0.062	37%	0.373	C	S	.	.	H	α-helix	trans	-64.8	-42.9	176	0	0	0	0	0	113	I468 V469 I470 Y475 C476	I468-G472 WeakPolarHBondContact O-CA 3.37Å; I468-G472 PolarHBondContact O-N 2.85Å; V469-G472 PolarHBondContact O-N 3Å; I470-G472 VanDerWaalsContact C-N 3.3Å; I470-G472 PolarHBondContact O-N 3.07Å; G472-Y475 PolarHBondContact O-N 3.34Å; G472-C476 WeakPolarHBondContact O-CB 3.43Å; G472-C476 PolarHBondContact O-N 2.87Å; G472-C476 PolarHBondContact O-SG 3.43Å
473	I	90.2	Very high	90.1	Very high	90 Å²	90	64.8 Å²	64.8	46%	0.462	36%	0.356	S	S	.	.	H	α-helix	trans	-63.3	-47.5	173.7	-71.1	166.2	0	0	0	110.5	F115 V469 I470 Y475 C476 G477	F115-I473 HydrophobicContact CE2-CG1 4.05Å; V469-I473 HydrophobicContact CG1-CD1 3.74Å; V469-I473 HydrophobicContact CG1-CG1 4.45Å; V469-I473 WeakPolarHBondContact O-CB 3.44Å; V469-I473 VanDerWaalsContact O-CG1 3.26Å; V469-I473 WeakPolarHBondContact O-CG1 3.3Å; V469-I473 PolarHBondContact O-N 2.9Å; I470-I473 PolarHBondContact O-N 2.88Å; I473-Y475 PolarHBondContact O-N 2.84Å; I473-C476 PolarHBondContact O-N 3.23Å; I473-G477 PolarHBondContact O-N 3.26Å
474	V	92.8	Very high	90.2	Very high	86 Å²	86	63.3 Å²	63.3	52%	0.521	35%	0.346	S	S	.	.	H	α-helix	trans	-62.4	-43.3	178.2	172.7	0	0	0	0	110.8	I470 V471 G477 T478	I470-V474 WeakPolarHBondContact O-CG2 3.46Å; I470-V474 PolarHBondContact O-N 3.02Å; V471-V474 PolarHBondContact O-N 3.49Å; V474-G477 PolarHBondContact O-N 3.44Å; V474-T478 HydrophobicContact CG1-CG2 4.29Å; V474-T478 WeakPolarHBondContact O-CB 3.48Å; V474-T478 WeakPolarHBondContact O-CG2 3.37Å; V474-T478 PolarHBondContact O-N 3.25Å; V474-T478 PolarHBondContact O-OG1 3.49Å
475	Y	91.2	Very high	90.4	Very high	87 Å²	87	61.8 Å²	61.8	34%	0.341	35%	0.346	S	S	.	.	H	α-helix	trans	-61.2	-47.3	175.5	176.5	-97.9	0	0	0	111.8	F114 V471 G472 I473 T478 Q479	F114-Y475 HydrophobicContact CB-CE1 4.39Å; F114-Y475 HydrophobicContact CD2-CE1 4.2Å; F114-Y475 HydrophobicContact CG-CE1 4.13Å; V471-Y475 WeakPolarHBondContact O-CB 3.47Å; V471-Y475 PolarHBondContact O-N 3.49Å; G472-Y475 PolarHBondContact O-N 3.34Å; I473-Y475 PolarHBondContact O-N 2.84Å; Y475-T478 WeakPolarHBondContact CA-OG1 3.22Å; Y475-T478 PolarHBondContact O-N 3.14Å; Y475-T478 PolarHBondContact O-OG1 2.74Å; Y475-T478 VanDerWaalsContact O-OG1 3.05Å; Y475-Q479 HydrophobicContact CD1-CG 4.31Å; Y475-Q479 HydrophobicContact CD2-CG 4.28Å; Y475-Q479 HydrophobicContact CE1-CG 4.02Å; Y475-Q479 HydrophobicContact CE2-CG 3.99Å; Y475-Q479 HydrophobicContact CG-CG 4.44Å; Y475-Q479 WeakPolarHBondContact O-CB 3.33Å; Y475-Q479 WeakPolarHBondContact O-CG 3.23Å; Y475-Q479 PolarHBondContact O-N 3.27Å
476	C	89.3	Confident	90.5	Very high	7 Å²	7	63.1 Å²	63.1	5%	0.047	35%	0.353	C	S	.	.	H	α-helix	trans	-65.2	-43	178.2	-64.1	0	0	0	0	111.5	P111 G472 I473 Q479 L480	P111-C476 HydrophobicContact CB-CB 4.22Å; G472-C476 WeakPolarHBondContact O-CB 3.43Å; G472-C476 PolarHBondContact O-N 2.87Å; G472-C476 PolarHBondContact O-SG 3.43Å; I473-C476 PolarHBondContact O-N 3.23Å; C476-Q479 PolarHBondContact O-N 3.03Å; C476-L480 WeakPolarHBondContact O-CB 3.42Å; C476-L480 VanDerWaalsContact O-CG 3.23Å; C476-L480 WeakPolarHBondContact O-CG 3.39Å; C476-L480 PolarHBondContact O-N 3.02Å
477	G	91.5	Very high	90.6	Very high	41 Å²	41	59.3 Å²	59.3	42%	0.423	33%	0.333	S	S	.	.	H	α-helix	trans	-64.8	-40.8	177.4	0	0	0	0	0	113.5	I473 V474 G481	I473-G477 PolarHBondContact O-N 3.26Å; V474-G477 PolarHBondContact O-N 3.44Å; G477-G481 PolarHBondContact O-N 3.49Å
478	T	91.9	Very high	90.7	Very high	78 Å²	78	57.9 Å²	57.9	48%	0.479	32%	0.323	S	S	.	.	H	α-helix	trans	-69.1	-42.3	175.5	49.7	0	0	0	0	111.9	V474 Y475 L480 G481 T482	V474-T478 HydrophobicContact CG1-CG2 4.29Å; V474-T478 WeakPolarHBondContact O-CB 3.48Å; V474-T478 WeakPolarHBondContact O-CG2 3.37Å; V474-T478 PolarHBondContact O-N 3.25Å; V474-T478 PolarHBondContact O-OG1 3.49Å; Y475-T478 WeakPolarHBondContact CA-OG1 3.22Å; Y475-T478 PolarHBondContact O-N 3.14Å; Y475-T478 PolarHBondContact O-OG1 2.74Å; Y475-T478 VanDerWaalsContact O-OG1 3.05Å; T478-L480 PolarHBondContact O-N 3.48Å; T478-G481 PolarHBondContact O-N 3.21Å; T478-T482 PolarHBondContact O-N 2.94Å; T478-T482 PolarHBondContact O-OG1 3.13Å; T478-T482 VanDerWaalsContact O-OG1 3.06Å
479	Q	88.6	Confident	91	Very high	51 Å²	51	59.6 Å²	59.6	24%	0.238	34%	0.336	C	S	.	.	H	α-helix	trans	-61.2	-42.9	174.8	-70.8	-74.2	-10.8	0	0	112.1	P111 Y475 C476 T482 G483	P111-Q479 HydrophobicContact CB-CB 4.46Å; P111-Q479 HydrophobicContact CG-CB 3.8Å; Y475-Q479 HydrophobicContact CD1-CG 4.31Å; Y475-Q479 HydrophobicContact CD2-CG 4.28Å; Y475-Q479 HydrophobicContact CE1-CG 4.02Å; Y475-Q479 HydrophobicContact CE2-CG 3.99Å; Y475-Q479 HydrophobicContact CG-CG 4.44Å; Y475-Q479 WeakPolarHBondContact O-CB 3.33Å; Y475-Q479 WeakPolarHBondContact O-CG 3.23Å; Y475-Q479 PolarHBondContact O-N 3.27Å; C476-Q479 PolarHBondContact O-N 3.03Å; Q479-T482 PolarHBondContact O-N 3.27Å; Q479-G483 PolarHBondContact O-N 2.79Å
480	L	90	Very high	91.3	Very high	64 Å²	64	56.9 Å²	56.9	34%	0.335	32%	0.32	S	S	.	.	H	α-helix	trans	-59.6	-47.5	172	-72.9	168.4	0	0	0	111.5	V108 P111 C476 T478 G483 W484	V108-L480 HydrophobicContact CB-CD2 4.3Å; V108-L480 HydrophobicContact CG2-CD2 4.06Å; P111-L480 HydrophobicContact CB-CD1 4.33Å; P111-L480 HydrophobicContact CB-CD2 3.9Å; P111-L480 HydrophobicContact CB-CG 3.7Å; P111-L480 HydrophobicContact CG-CD2 3.84Å; P111-L480 HydrophobicContact CG-CG 3.86Å; C476-L480 WeakPolarHBondContact O-CB 3.42Å; C476-L480 VanDerWaalsContact O-CG 3.23Å; C476-L480 WeakPolarHBondContact O-CG 3.39Å; C476-L480 PolarHBondContact O-N 3.02Å; T478-L480 PolarHBondContact O-N 3.48Å; L480-G483 PolarHBondContact O-N 3.39Å; L480-W484 WeakPolarHBondContact O-CB 3.5Å; L480-W484 PolarHBondContact O-N 3.03Å
481	G	91.3	Very high	91.5	Very high	31 Å²	31	52.3 Å²	52.3	32%	0.32	30%	0.296	S	S	.	.	H	α-helix	trans	-60.4	-44.2	177.7	0	0	0	0	0	112.8	G477 T478 W484 L485	G477-G481 PolarHBondContact O-N 3.49Å; T478-G481 PolarHBondContact O-N 3.21Å; G481-W484 PolarHBondContact O-N 3.49Å; G481-L485 VanDerWaalsContact O-CB 3.3Å; G481-L485 WeakPolarHBondContact O-CB 3.4Å; G481-L485 VanDerWaalsContact O-CG 3.25Å; G481-L485 WeakPolarHBondContact O-CG 3.28Å; G481-L485 PolarHBondContact O-N 2.94Å
482	T	90.7	Very high	91.7	Very high	59 Å²	59	49.5 Å²	49.5	36%	0.362	28%	0.281	S	S	.	.	H	α-helix	trans	-61.4	-47.6	174.8	-59.9	0	0	0	0	111.1	T478 Q479 W484 L485 M486 I541	T478-T482 PolarHBondContact O-N 2.94Å; T478-T482 PolarHBondContact O-OG1 3.13Å; T478-T482 VanDerWaalsContact O-OG1 3.06Å; Q479-T482 PolarHBondContact O-N 3.27Å; T482-W484 PolarHBondContact O-N 3.25Å; T482-L485 PolarHBondContact O-N 3.19Å; T482-M486 HydrophobicContact CG2-CG 4.23Å; T482-M486 VanDerWaalsContact O-CB 3.24Å; T482-M486 WeakPolarHBondContact O-CB 3.5Å; T482-M486 WeakPolarHBondContact O-CG 3.29Å; T482-M486 PolarHBondContact O-N 3.37Å; T482-I541 HydrophobicContact CG2-CD1 4.35Å
483	G	88.8	Confident	92.1	Very high	16 Å²	16	50.9 Å²	50.9	17%	0.165	29%	0.292	C	S	.	.	H	α-helix	trans	-60.6	-43.7	177.7	0	0	0	0	0	112.8	Q479 L480 A487	Q479-G483 PolarHBondContact O-N 2.79Å; L480-G483 PolarHBondContact O-N 3.39Å; G483-A487 WeakPolarHBondContact O-CB 3.47Å; G483-A487 PolarHBondContact O-N 2.99Å
484	W	90.9	Very high	92.4	Very high	136 Å²	136	46.9 Å²	46.9	52%	0.515	27%	0.271	S	S	.	.	H	α-helix	trans	-66.2	-46.4	178.5	-173.6	89.8	0	0	0	113	H104 L480 G481 T482 N488	H104-W484 AromaticContact CD2-CD1 3.38Å; H104-W484 AromaticContact CD2-CG 3.92Å; H104-W484 AromaticContact CD2-NE1 3.91Å; H104-W484 AromaticContact CE1-CD1 3.55Å; H104-W484 AromaticContact CE1-CE2 3.88Å; H104-W484 AromaticContact CE1-NE1 3.22Å; H104-W484 PolarHBondContact CE1-NE1 2.91Å; H104-W484 AromaticContact CG-CD1 3.51Å; H104-W484 AromaticContact CG-NE1 3.87Å; H104-W484 AromaticContact ND1-CD1 3.6Å; H104-W484 AromaticContact ND1-NE1 3.43Å; H104-W484 PolarHBondContact ND1-NE1 3.46Å; H104-W484 AromaticContact NE2-CD1 3.39Å; H104-W484 AromaticContact NE2-CG 3.82Å; H104-W484 AromaticContact NE2-NE1 3.5Å; H104-W484 PolarHBondContact NE2-O 3.11Å; L480-W484 WeakPolarHBondContact O-CB 3.5Å; L480-W484 PolarHBondContact O-N 3.03Å; G481-W484 PolarHBondContact O-N 3.49Å; T482-W484 PolarHBondContact O-N 3.25Å; W484-N488 VanDerWaalsContact CE2-ND2 3.32Å; W484-N488 VanDerWaalsContact CE3-ND2 3.34Å; W484-N488 WeakPolarHBondContact CH2-ND2 3.32Å; W484-N488 WeakPolarHBondContact CZ2-ND2 3.4Å; W484-N488 WeakPolarHBondContact CZ3-ND2 3.43Å; W484-N488 PolarHBondContact O-N 3.03Å; W484-N488 PolarHBondContact O-ND2 3.16Å
485	L	92.2	Very high	92.6	Very high	98 Å²	98	46.2 Å²	46.2	51%	0.513	26%	0.259	S	S	.	.	H	α-helix	trans	-63.2	-45.5	176.9	-74.8	170	0	0	0	111.4	G481 T482 N488 V489	G481-L485 VanDerWaalsContact O-CB 3.3Å; G481-L485 WeakPolarHBondContact O-CB 3.4Å; G481-L485 VanDerWaalsContact O-CG 3.25Å; G481-L485 WeakPolarHBondContact O-CG 3.28Å; G481-L485 PolarHBondContact O-N 2.94Å; T482-L485 PolarHBondContact O-N 3.19Å; L485-N488 PolarHBondContact O-N 3Å; L485-N488 VanDerWaalsContact O-N 3.15Å; L485-V489 WeakPolarHBondContact O-CG2 3.4Å; L485-V489 PolarHBondContact O-N 2.89Å
486	M	90.3	Very high	92.9	Very high	34 Å²	34	45 Å²	45	17%	0.167	26%	0.259	C	S	.	.	H	α-helix	trans	-65.5	-41.7	-178.8	-74.3	-66.7	-54	0	0	112.1	T482 N488 V489 V490 I541	T482-M486 HydrophobicContact CG2-CG 4.23Å; T482-M486 VanDerWaalsContact O-CB 3.24Å; T482-M486 WeakPolarHBondContact O-CB 3.5Å; T482-M486 WeakPolarHBondContact O-CG 3.29Å; T482-M486 PolarHBondContact O-N 3.37Å; M486-N488 VanDerWaalsContact C-N 3.27Å; M486-N488 PolarHBondContact O-N 3.27Å; M486-V489 PolarHBondContact O-N 2.86Å; M486-V490 HydrophobicContact CE-CG2 3.91Å; M486-V490 WeakPolarHBondContact O-CB 3.45Å; M486-V490 WeakPolarHBondContact O-CG2 3.08Å; M486-V490 PolarHBondContact O-N 3.05Å; M486-I541 HydrophobicContact CB-CD1 4.18Å; M486-I541 HydrophobicContact CE-CD1 4.27Å; M486-I541 HydrophobicContact CE-CG1 4.06Å; M486-I541 HydrophobicContact CG-CD1 3.73Å; M486-I541 HydrophobicContact CG-CG1 4.06Å; M486-I541 HydrophobicContact SD-CG1 4.33Å
487	A	92.2	Very high	93.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-57.3	-40.9	171.9	0	0	0	0	0	111.8	F103 G483 Q491	F103-A487 HydrophobicContact CB-CB 3.65Å; G483-A487 WeakPolarHBondContact O-CB 3.47Å; G483-A487 PolarHBondContact O-N 2.99Å; A487-Q491 VanDerWaalsContact O-CB 3.23Å; A487-Q491 WeakPolarHBondContact O-CB 3.3Å; A487-Q491 WeakPolarHBondContact O-CG 3.41Å; A487-Q491 PolarHBondContact O-N 3.45Å; A487-Q491 VanDerWaalsContact O-N 3.13Å
488	N	94.5	Very high	93.6	Very high	36 Å²	36	44 Å²	44	19%	0.193	24%	0.243	C	C	.	.	H	α-helix	trans	-68.7	-47.4	177.4	-74.1	-32.4	0	0	0	112.8	H104 W484 L485 M486 S492	H104-N488 PolarHBondContact CE1-OD1 3.04Å; H104-N488 PolarHBondContact NE2-OD1 3.2Å; W484-N488 VanDerWaalsContact CE2-ND2 3.32Å; W484-N488 VanDerWaalsContact CE3-ND2 3.34Å; W484-N488 WeakPolarHBondContact CH2-ND2 3.32Å; W484-N488 WeakPolarHBondContact CZ2-ND2 3.4Å; W484-N488 WeakPolarHBondContact CZ3-ND2 3.43Å; W484-N488 PolarHBondContact O-N 3.03Å; W484-N488 PolarHBondContact O-ND2 3.16Å; L485-N488 PolarHBondContact O-N 3Å; L485-N488 VanDerWaalsContact O-N 3.15Å; M486-N488 VanDerWaalsContact C-N 3.27Å; M486-N488 PolarHBondContact O-N 3.27Å; N488-S492 VanDerWaalsContact O-CB 3.27Å; N488-S492 WeakPolarHBondContact O-CB 3.49Å; N488-S492 PolarHBondContact O-N 3.35Å; N488-S492 PolarHBondContact O-OG 2.96Å; N488-S492 VanDerWaalsContact O-OG 3.06Å
489	V	95	Very high	93.8	Very high	87 Å²	87	42.7 Å²	42.7	53%	0.527	23%	0.231	S	C	.	.	H	α-helix	trans	-64.5	-50.6	-178.4	172.9	0	0	0	0	111	L485 M486 A493	L485-V489 WeakPolarHBondContact O-CG2 3.4Å; L485-V489 PolarHBondContact O-N 2.89Å; M486-V489 PolarHBondContact O-N 2.86Å; V489-A493 WeakPolarHBondContact O-CB 3.49Å; V489-A493 PolarHBondContact O-N 3.29Å
490	V	95.1	Very high	94.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-65.7	-51	-177.6	178.1	0	0	0	0	110.4	M486 S492 A493 M494 M536	M486-V490 HydrophobicContact CE-CG2 3.91Å; M486-V490 WeakPolarHBondContact O-CB 3.45Å; M486-V490 WeakPolarHBondContact O-CG2 3.08Å; M486-V490 PolarHBondContact O-N 3.05Å; V490-S492 VanDerWaalsContact C-N 3.33Å; V490-S492 PolarHBondContact O-N 2.82Å; V490-A493 PolarHBondContact O-N 3.14Å; V490-M494 HydrophobicContact CG1-CG 4.19Å; V490-M494 WeakPolarHBondContact O-CG 2.99Å; V490-M494 PolarHBondContact O-N 2.85Å; V490-M536 HydrophobicContact CG1-CB 4.04Å; V490-M536 HydrophobicContact CG2-CB 3.83Å
491	Q	95.3	Very high	94.5	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-67.9	-31.6	-176.7	-58.2	-53.8	-54.2	0	0	112.6	T96 S99 K100 F103 A487 R495 S533	T96-Q491 HydrophobicContact CG2-CB 4.21Å; S99-Q491 PolarHBondContact OG-OE1 3.49Å; K100-Q491 HydrophobicContact CD-CB 4.43Å; K100-Q491 HydrophobicContact CG-CB 3.72Å; K100-Q491 HydrophobicContact CG-CG 4.1Å; F103-Q491 HydrophobicContact CD2-CG 4.36Å; A487-Q491 VanDerWaalsContact O-CB 3.23Å; A487-Q491 WeakPolarHBondContact O-CB 3.3Å; A487-Q491 WeakPolarHBondContact O-CG 3.41Å; A487-Q491 PolarHBondContact O-N 3.45Å; A487-Q491 VanDerWaalsContact O-N 3.13Å; Q491-R495 WeakPolarHBondContact O-CB 3.49Å; Q491-R495 PolarHBondContact O-N 3.04Å; Q491-S533 PolarHBondContact NE2-OG 2.88Å
492	S	96.6	Very high	94.7	Very high	32 Å²	32	40.4 Å²	40.4	22%	0.224	21%	0.214	C	C	.	.	H	α-helix	trans	-65.9	-46.9	169.9	-69.4	0	0	0	0	111.9	K100 N488 V490 M494 R495 D496	K100-S492 PolarHBondContact NZ-OG 3.41Å; N488-S492 VanDerWaalsContact O-CB 3.27Å; N488-S492 WeakPolarHBondContact O-CB 3.49Å; N488-S492 PolarHBondContact O-N 3.35Å; N488-S492 PolarHBondContact O-OG 2.96Å; N488-S492 VanDerWaalsContact O-OG 3.06Å; V490-S492 VanDerWaalsContact C-N 3.33Å; V490-S492 PolarHBondContact O-N 2.82Å; S492-M494 PolarHBondContact O-N 3.49Å; S492-R495 VanDerWaalsContact O-CB 3.29Å; S492-R495 WeakPolarHBondContact O-CB 3.41Å; S492-R495 PolarHBondContact O-N 3.05Å; S492-D496 PolarHBondContact O-N 3.34Å
493	A	96.6	Very high	94.8	Very high	35 Å²	35	38.6 Å²	38.6	29%	0.289	21%	0.205	S	C	.	.	H	α-helix	trans	-60.7	-34.1	177.8	0	0	0	0	0	112.7	V489 V490 L497	V489-A493 WeakPolarHBondContact O-CB 3.49Å; V489-A493 PolarHBondContact O-N 3.29Å; V490-A493 PolarHBondContact O-N 3.14Å; A493-L497 VanDerWaalsContact O-CB 3.3Å; A493-L497 WeakPolarHBondContact O-CB 3.48Å; A493-L497 PolarHBondContact O-N 3.15Å
494	M	96.2	Very high	95.1	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.03	20%	0.201	C	C	.	.	H	α-helix	trans	-79.9	-18.6	176	-59	-64.4	93.3	0	0	113.7	V490 S492 L497 R498 V529 V532 M536	V490-M494 HydrophobicContact CG1-CG 4.19Å; V490-M494 WeakPolarHBondContact O-CG 2.99Å; V490-M494 PolarHBondContact O-N 2.85Å; S492-M494 PolarHBondContact O-N 3.49Å; M494-L497 HydrophobicContact CE-CD2 4.06Å; M494-R498 WeakPolarHBondContact O-CG 2.94Å; M494-R498 PolarHBondContact O-N 3.31Å; M494-R498 PolarHBondContact O-NH1 3.46Å; M494-V529 HydrophobicContact CB-CG1 3.98Å; M494-V529 HydrophobicContact CG-CG1 4.31Å; M494-V529 HydrophobicContact SD-CG1 3.67Å; M494-V529 VanDerWaalsContact SD-O 3.37Å; M494-V532 HydrophobicContact CE-CG1 4.01Å; M494-V532 HydrophobicContact SD-CB 4.28Å; M494-V532 HydrophobicContact SD-CG1 4.14Å; M494-M536 HydrophobicContact CE-SD 3.9Å
495	R	97.1	Very high	95.2	Very high	72 Å²	72	32.4 Å²	32.4	27%	0.272	18%	0.177	S	C	.	.	H	α-helix	trans	-70.7	-53.8	166.6	-179.7	-160.7	59.8	169	5.8	109.1	N92 D93 T96 Q491 S492 L497 R498 E499	N92-R495 WeakPolarHBondContact ND2-CG 3.29Å; N92-R495 PolarHBondContact ND2-O 3.33Å; D93-R495 WeakPolarHBondContact OD1-CD 3.46Å; D93-R495 IonicContact OD1-NH1 3.65Å; D93-R495 PolarHBondContact OD1-NH1 3.13Å; T96-R495 HydrophobicContact CG2-CB 4.06Å; T96-R495 WeakPolarHBondContact OG1-CB 3.2Å; Q491-R495 WeakPolarHBondContact O-CB 3.49Å; Q491-R495 PolarHBondContact O-N 3.04Å; S492-R495 VanDerWaalsContact O-CB 3.29Å; S492-R495 WeakPolarHBondContact O-CB 3.41Å; S492-R495 PolarHBondContact O-N 3.05Å; R495-L497 VanDerWaalsContact C-N 3.33Å; R495-L497 PolarHBondContact O-N 3.27Å; R495-R498 PolarHBondContact O-N 3.12Å; R495-R498 VanDerWaalsContact O-N 3.07Å; R495-E499 PolarHBondContact O-N 3.3Å
496	D	97.7	Very high	95.2	Very high	62 Å²	62	28.2 Å²	28.2	33%	0.332	16%	0.155	S	C	.	.	H	α-helix	trans	-59.7	-46.1	-176	-55.5	-16.2	0	0	0	109.7	S492 R498 E499 D500	S492-D496 PolarHBondContact O-N 3.34Å; D496-R498 VanDerWaalsContact C-N 3.32Å; D496-R498 PolarHBondContact O-N 3.37Å; D496-E499 WeakPolarHBondContact O-CB 3.5Å; D496-E499 PolarHBondContact O-N 3.01Å; D496-E499 VanDerWaalsContact O-N 3.08Å; D496-D500 PolarHBondContact O-N 3.25Å
497	L	97	Very high	95.2	Very high	25 Å²	25	33.2 Å²	33.2	13%	0.131	17%	0.172	C	C	.	.	H	α-helix	trans	-59.9	-35.7	175.4	-176.9	61	0	0	0	113.7	A493 M494 R495 I501 V529 V715 L719	A493-L497 VanDerWaalsContact O-CB 3.3Å; A493-L497 WeakPolarHBondContact O-CB 3.48Å; A493-L497 PolarHBondContact O-N 3.15Å; M494-L497 HydrophobicContact CE-CD2 4.06Å; R495-L497 VanDerWaalsContact C-N 3.33Å; R495-L497 PolarHBondContact O-N 3.27Å; L497-I501 HydrophobicContact CG-CD1 4.36Å; L497-I501 WeakPolarHBondContact O-CD1 3.43Å; L497-I501 WeakPolarHBondContact O-CG1 3.41Å; L497-I501 PolarHBondContact O-N 3.36Å; L497-I501 VanDerWaalsContact O-N 3.15Å; L497-V529 HydrophobicContact CD2-CG1 4.36Å; L497-V529 HydrophobicContact CD2-CG2 4.16Å; L497-V529 HydrophobicContact CG-CG2 4.38Å; L497-V715 HydrophobicContact CD1-CG1 3.92Å; L497-V715 HydrophobicContact CD2-CG1 4.29Å; L497-V715 HydrophobicContact CG-CG1 4.26Å; L497-L719 HydrophobicContact CD1-CD1 3.93Å
498	R	97.5	Very high	95.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-71.1	-37.1	175.1	-76.6	-178.2	-174	100.7	-5.2	112	F88 M494 R495 D496 I501 E502 V525 V529 D530	F88-R498 HydrophobicContact CE1-CB 4.12Å; F88-R498 HydrophobicContact CZ-CB 4.1Å; M494-R498 WeakPolarHBondContact O-CG 2.94Å; M494-R498 PolarHBondContact O-N 3.31Å; M494-R498 PolarHBondContact O-NH1 3.46Å; R495-R498 PolarHBondContact O-N 3.12Å; R495-R498 VanDerWaalsContact O-N 3.07Å; D496-R498 VanDerWaalsContact C-N 3.32Å; D496-R498 PolarHBondContact O-N 3.37Å; R498-I501 PolarHBondContact O-N 3.22Å; R498-E502 PolarHBondContact O-N 3.05Å; R498-V525 HydrophobicContact CB-CG1 4.43Å; R498-V525 HydrophobicContact CG-CG1 4.02Å; R498-V525 PolarHBondContact NE-O 3.16Å; R498-V529 HydrophobicContact CG-CG1 4.1Å; R498-V529 HydrophobicContact CG-CG2 4.28Å; R498-D530 IonicContact CZ-OD1 3.01Å; R498-D530 VanDerWaalsContact NH2-CG 3.3Å; R498-D530 IonicContact NH2-OD1 3.38Å; R498-D530 PolarHBondContact NH2-OD1 2.79Å; R498-D530 IonicContact NH2-OD2 2.97Å; R498-D530 PolarHBondContact NH2-OD2 3.05Å
499	E	96.2	Very high	95.1	Very high	52 Å²	52	32.9 Å²	32.9	24%	0.243	17%	0.172	C	C	.	.	H	α-helix	trans	-67.6	-40.1	176.4	-172	168.8	-177.3	0	0	111.5	R89 R495 D496 I501 E502 A503	R89-E499 IonicContact CZ-OE1 3.19Å; R89-E499 IonicContact NE-OE1 2.75Å; R89-E499 PolarHBondContact NE-OE1 3.26Å; R89-E499 IonicContact NE-OE2 3.52Å; R89-E499 IonicContact NH2-OE1 3.13Å; R89-E499 PolarHBondContact NH2-OE1 2.77Å; R495-E499 PolarHBondContact O-N 3.3Å; D496-E499 WeakPolarHBondContact O-CB 3.5Å; D496-E499 PolarHBondContact O-N 3.01Å; D496-E499 VanDerWaalsContact O-N 3.08Å; E499-I501 PolarHBondContact O-N 3.46Å; E499-E502 PolarHBondContact O-N 3.13Å; E499-A503 WeakPolarHBondContact O-CB 3.49Å; E499-A503 PolarHBondContact O-N 3.09Å
500	D	96.9	Very high	94.8	Very high	94 Å²	94	28.9 Å²	28.9	50%	0.503	15%	0.147	S	C	.	.	H	α-helix	trans	-61	-41.8	172.9	-70.1	-28.3	0	0	0	111.9	D496 K504 L719	D496-D500 PolarHBondContact O-N 3.25Å; D500-K504 VanDerWaalsContact O-CB 3.25Å; D500-K504 WeakPolarHBondContact O-CB 3.23Å; D500-K504 PolarHBondContact O-N 2.7Å; D500-L719 HydrophobicContact CB-CD2 4.31Å
501	I	96	Very high	94.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-67.4	-41	176.9	-58.8	156.5	0	0	0	111.2	L497 R498 E499 K504 I505 V525 V529 V715 I718 L719	L497-I501 HydrophobicContact CG-CD1 4.36Å; L497-I501 WeakPolarHBondContact O-CD1 3.43Å; L497-I501 WeakPolarHBondContact O-CG1 3.41Å; L497-I501 PolarHBondContact O-N 3.36Å; L497-I501 VanDerWaalsContact O-N 3.15Å; R498-I501 PolarHBondContact O-N 3.22Å; E499-I501 PolarHBondContact O-N 3.46Å; I501-K504 WeakPolarHBondContact O-CB 3.4Å; I501-K504 PolarHBondContact O-N 2.79Å; I501-I505 HydrophobicContact CG2-CD1 3.89Å; I501-I505 HydrophobicContact CG2-CG1 4.24Å; I501-I505 VanDerWaalsContact O-CG1 3.31Å; I501-I505 WeakPolarHBondContact O-CG1 3.48Å; I501-I505 PolarHBondContact O-N 3.3Å; I501-V525 HydrophobicContact CB-CG2 4.43Å; I501-V525 HydrophobicContact CD1-CG2 4.48Å; I501-V525 HydrophobicContact CG2-CG2 3.69Å; I501-V529 HydrophobicContact CD1-CG2 3.89Å; I501-V715 HydrophobicContact CD1-CG1 3.65Å; I501-V715 HydrophobicContact CG1-CG1 4.06Å; I501-I718 HydrophobicContact CG2-CD1 4.22Å; I501-I718 HydrophobicContact CG2-CG2 4.27Å; I501-L719 HydrophobicContact CG1-CD2 4.06Å; I501-L719 HydrophobicContact CG1-CG 4.43Å
502	E	95.1	Very high	94.1	Very high	3 Å²	3	30.5 Å²	30.5	1%	0.014	16%	0.158	C	C	.	.	H	α-helix	trans	-64.9	-46.9	178.6	-174.4	68.1	173.3	0	0	111.5	L65 N68 E85 F88 R498 E499 K504 I505 N506	L65-E502 WeakPolarHBondContact CD2-OE2 3.46Å; N68-E502 PolarHBondContact ND2-OE1 3.48Å; E85-E502 HydrophobicContact CG-CG 4.48Å; F88-E502 HydrophobicContact CB-CG 3.99Å; F88-E502 HydrophobicContact CD1-CB 3.71Å; F88-E502 HydrophobicContact CD1-CG 3.73Å; F88-E502 HydrophobicContact CD2-CG 4.32Å; F88-E502 HydrophobicContact CE1-CB 3.83Å; F88-E502 HydrophobicContact CE1-CG 4.31Å; F88-E502 HydrophobicContact CG-CB 4.19Å; F88-E502 HydrophobicContact CG-CG 3.74Å; F88-E502 HydrophobicContact CZ-CB 4.39Å; R498-E502 PolarHBondContact O-N 3.05Å; E499-E502 PolarHBondContact O-N 3.13Å; E502-K504 PolarHBondContact O-N 3.31Å; E502-I505 WeakPolarHBondContact O-CB 3.1Å; E502-I505 PolarHBondContact O-N 2.82Å; E502-I505 VanDerWaalsContact O-N 3.17Å; E502-N506 PolarHBondContact O-N 2.83Å
503	A	93.7	Very high	93.8	Very high	21 Å²	21	30 Å²	30	17%	0.174	15%	0.152	C	C	.	.	H	α-helix	trans	-60.6	-32.9	174.3	0	0	0	0	0	112.2	E499 R507	E499-A503 WeakPolarHBondContact O-CB 3.49Å; E499-A503 PolarHBondContact O-N 3.09Å; A503-R507 WeakPolarHBondContact O-CG 3.23Å
504	K	95	Very high	93.1	Very high	21 Å²	21	32.3 Å²	32.3	9%	0.091	16%	0.159	C	C	.	.	H	α-helix	trans	-68.7	-48.3	172.9	-174	76	-175.3	-164.1	0	111.7	D500 I501 E502 N506 R507 L508 I718 L719 E721 E723	D500-K504 VanDerWaalsContact O-CB 3.25Å; D500-K504 WeakPolarHBondContact O-CB 3.23Å; D500-K504 PolarHBondContact O-N 2.7Å; I501-K504 WeakPolarHBondContact O-CB 3.4Å; I501-K504 PolarHBondContact O-N 2.79Å; E502-K504 PolarHBondContact O-N 3.31Å; K504-N506 PolarHBondContact O-N 3.49Å; K504-R507 PolarHBondContact O-N 3.42Å; K504-L508 HydrophobicContact CG-CD1 4.27Å; K504-L508 HydrophobicContact CG-CG 4.21Å; K504-L508 WeakPolarHBondContact O-CG 3.24Å; K504-L508 PolarHBondContact O-N 2.82Å; K504-I718 WeakPolarHBondContact CE-O 3.11Å; K504-I718 HydrophobicContact CG-CG2 4.21Å; K504-L719 HydrophobicContact CB-CD2 4Å; K504-L719 WeakPolarHBondContact CE-O 3.35Å; K504-L719 HydrophobicContact CG-CD2 4.25Å; K504-L719 PolarHBondContact NZ-O 3.02Å; K504-E721 WeakPolarHBondContact CE-O 3.14Å; K504-E721 PolarHBondContact NZ-O 2.94Å; K504-E723 HydrophobicContact CD-CG 4.11Å; K504-E723 WeakPolarHBondContact CD-OE1 3.09Å; K504-E723 WeakPolarHBondContact CE-OE1 3.29Å; K504-E723 IonicContact NZ-OE1 3.89Å; K504-E723 PolarHBondContact NZ-OE1 3Å
505	I	93.6	Very high	92.4	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-51	-45.7	179	-78.6	167.9	0	0	0	110.7	L65 L69 R76 I501 E502 R507 L508 F513 I521 V525	L65-I505 HydrophobicContact CD2-CD1 4.36Å; L69-I505 HydrophobicContact CD2-CG2 4.32Å; R76-I505 PolarHBondContact NH2-O 3.16Å; I501-I505 HydrophobicContact CG2-CD1 3.89Å; I501-I505 HydrophobicContact CG2-CG1 4.24Å; I501-I505 VanDerWaalsContact O-CG1 3.31Å; I501-I505 WeakPolarHBondContact O-CG1 3.48Å; I501-I505 PolarHBondContact O-N 3.3Å; E502-I505 WeakPolarHBondContact O-CB 3.1Å; E502-I505 PolarHBondContact O-N 2.82Å; E502-I505 VanDerWaalsContact O-N 3.17Å; I505-R507 VanDerWaalsContact C-N 3.26Å; I505-R507 PolarHBondContact O-N 3.42Å; I505-L508 PolarHBondContact O-N 2.87Å; I505-F513 HydrophobicContact CB-CZ 4.41Å; I505-F513 HydrophobicContact CG2-CE1 3.97Å; I505-F513 HydrophobicContact CG2-CZ 3.87Å; I505-F513 WeakPolarHBondContact O-CZ 3.26Å; I505-I521 HydrophobicContact CD1-CG2 3.85Å; I505-I521 HydrophobicContact CG1-CG2 4.41Å; I505-V525 HydrophobicContact CD1-CG2 4.31Å
506	N	90.9	Very high	91.7	Very high	10 Å²	10	39.4 Å²	39.4	5%	0.053	19%	0.189	C	C	.	.	H	α-helix	trans	-64.6	-27.3	179.3	-72.4	-28.6	0	0	0	114.2	R76 E81 E85 E502 K504	R76-N506 PolarHBondContact NH2-O 2.74Å; E81-N506 HydrophobicContact CB-CB 4.08Å; E81-N506 HydrophobicContact CG-CB 4.22Å; E85-N506 WeakPolarHBondContact CG-ND2 3.41Å; E85-N506 PolarHBondContact OE1-ND2 3.33Å; E85-N506 VanDerWaalsContact OE1-ND2 3.08Å; E502-N506 PolarHBondContact O-N 2.83Å; K504-N506 PolarHBondContact O-N 3.49Å
507	R	90.6	Very high	90.9	Very high	139 Å²	139	44.2 Å²	44.2	53%	0.525	21%	0.21	S	C	.	.	H	α-helix	trans	-93.4	-11.3	179.5	-62	178.1	-165.1	171.5	5.3	114.9	A503 K504 I505 E723 E724	A503-R507 WeakPolarHBondContact O-CG 3.23Å; K504-R507 PolarHBondContact O-N 3.42Å; I505-R507 VanDerWaalsContact C-N 3.26Å; I505-R507 PolarHBondContact O-N 3.42Å; R507-E723 HydrophobicContact CB-CB 4.3Å; R507-E723 HydrophobicContact CB-CG 3.81Å; R507-E723 WeakPolarHBondContact CD-OE2 3.45Å; R507-E723 IonicContact NH1-OE2 2.72Å; R507-E724 PolarHBondContact O-N 3.14Å
508	L	93.2	Very high	90.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-73.5	143.9	178.4	-74	176	0	0	0	111.7	R76 K504 I505 Y512 F513 I718 E721 P722	R76-L508 PolarHBondContact NH1-O 3.15Å; R76-L508 PolarHBondContact NH2-O 3.44Å; K504-L508 HydrophobicContact CG-CD1 4.27Å; K504-L508 HydrophobicContact CG-CG 4.21Å; K504-L508 WeakPolarHBondContact O-CG 3.24Å; K504-L508 PolarHBondContact O-N 2.82Å; I505-L508 PolarHBondContact O-N 2.87Å; L508-Y512 HydrophobicContact CD1-CD1 3.82Å; L508-Y512 HydrophobicContact CD1-CE1 3.95Å; L508-Y512 HydrophobicContact CD1-CG 4.24Å; L508-F513 HydrophobicContact CB-CE2 3.76Å; L508-F513 HydrophobicContact CB-CZ 4Å; L508-F513 HydrophobicContact CD1-CZ 4.43Å; L508-I718 HydrophobicContact CD1-CG2 3.83Å; L508-E721 HydrophobicContact CD2-CB 3.73Å; L508-E721 HydrophobicContact CD2-CG 3.65Å; L508-P722 WeakPolarHBondContact CD2-O 3.48Å
509	P	91.4	Very high	89.5	Confident	30 Å²	30	49.7 Å²	49.7	20%	0.195	25%	0.248	C	C	.	.			trans	-63.5	148.9	178.8	27.5	-35.7	0	0	0	112.2	S511 Y512 F513 P722 E724	P509-S511 PolarHBondContact O-N 3.1Å; P509-Y512 WeakPolarHBondContact O-CB 3.45Å; P509-Y512 PolarHBondContact O-N 2.92Å; P509-F513 WeakPolarHBondContact O-CD2 3.33Å; P509-P722 VanDerWaalsContact CD-O 3.25Å; P509-P722 WeakPolarHBondContact CD-O 3.28Å; P509-E724 HydrophobicContact CB-CG 4.03Å
510	V	89	Confident	88.9	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.012	25%	0.25	C	S	.	.	H	α-helix	trans	-55	-30.6	178.4	-178.5	0	0	0	0	111.8	R73 Y512 F513 D514 F790 Y791	R73-V510 HydrophobicContact CG-CG1 4.45Å; V510-Y512 PolarHBondContact O-N 3.25Å; V510-F513 PolarHBondContact O-N 2.94Å; V510-D514 PolarHBondContact O-N 2.82Å; V510-F790 HydrophobicContact CB-CB 4.4Å; V510-F790 HydrophobicContact CG2-CB 3.94Å; V510-F790 HydrophobicContact CG2-CD1 4.17Å; V510-F790 HydrophobicContact CG2-CG 4.19Å; V510-Y791 HydrophobicContact CB-CE2 4.28Å; V510-Y791 HydrophobicContact CG1-CE2 4.25Å
511	S	86.6	Confident	88.6	Confident	28 Å²	28	45.4 Å²	45.4	20%	0.196	23%	0.226	C	C	.	.	H	α-helix	trans	-57.1	-27.9	174.4	68.9	0	0	0	0	114.9	P509 R515 Y791	P509-S511 PolarHBondContact O-N 3.1Å; S511-R515 WeakPolarHBondContact O-CB 3.46Å; S511-R515 WeakPolarHBondContact O-CD 3.24Å; S511-R515 WeakPolarHBondContact O-CG 3.5Å; S511-R515 PolarHBondContact O-N 3.18Å; S511-Y791 VanDerWaalsContact CA-OH 3.3Å; S511-Y791 WeakPolarHBondContact CA-OH 3.31Å
512	Y	89.1	Confident	88.2	Confident	7 Å²	7	46.5 Å²	46.5	3%	0.027	23%	0.232	C	C	.	.	H	α-helix	trans	-67	-42.2	174.9	177.1	-98.7	0	0	0	111	L508 P509 V510 R515 N516 I521 E721	L508-Y512 HydrophobicContact CD1-CD1 3.82Å; L508-Y512 HydrophobicContact CD1-CE1 3.95Å; L508-Y512 HydrophobicContact CD1-CG 4.24Å; P509-Y512 WeakPolarHBondContact O-CB 3.45Å; P509-Y512 PolarHBondContact O-N 2.92Å; V510-Y512 PolarHBondContact O-N 3.25Å; Y512-R515 PolarHBondContact O-N 2.95Å; Y512-N516 WeakPolarHBondContact CD2-ND2 3.32Å; Y512-N516 VanDerWaalsContact CE2-ND2 3.26Å; Y512-N516 WeakPolarHBondContact CE2-ND2 3.27Å; Y512-N516 WeakPolarHBondContact O-CB 3.05Å; Y512-N516 PolarHBondContact O-N 3.49Å; Y512-N516 PolarHBondContact O-ND2 3.3Å; Y512-I521 HydrophobicContact CD1-CD1 4.41Å; Y512-I521 HydrophobicContact CE1-CD1 3.86Å; Y512-I521 HydrophobicContact CE1-CG1 4.24Å; Y512-E721 HydrophobicContact CD2-CG 3.54Å; Y512-E721 HydrophobicContact CE2-CB 4.43Å; Y512-E721 HydrophobicContact CE2-CG 3.8Å; Y512-E721 HydrophobicContact CG-CG 4.34Å
513	F	89.6	Confident	87.9	Confident	23 Å²	23	48 Å²	48	10%	0.101	24%	0.243	C	C	.	.	H	α-helix	trans	-77.3	-34.2	-178.8	-55.9	-85.7	0	0	0	112.2	L69 L72 I505 L508 P509 V510 R515 N516 I521	L69-F513 HydrophobicContact CD2-CD1 3.59Å; L69-F513 HydrophobicContact CD2-CE1 3.46Å; L69-F513 VanDerWaalsContact CD2-CE1 3.46Å; L72-F513 HydrophobicContact CD2-CB 4.07Å; L72-F513 HydrophobicContact CD2-CD1 4.07Å; L72-F513 HydrophobicContact CD2-CD2 3.25Å; L72-F513 HydrophobicContact CD2-CE1 4.37Å; L72-F513 HydrophobicContact CD2-CE2 3.61Å; L72-F513 HydrophobicContact CD2-CG 3.51Å; L72-F513 HydrophobicContact CD2-CZ 4.16Å; I505-F513 HydrophobicContact CB-CZ 4.41Å; I505-F513 HydrophobicContact CG2-CE1 3.97Å; I505-F513 HydrophobicContact CG2-CZ 3.87Å; I505-F513 WeakPolarHBondContact O-CZ 3.26Å; L508-F513 HydrophobicContact CB-CE2 3.76Å; L508-F513 HydrophobicContact CB-CZ 4Å; L508-F513 HydrophobicContact CD1-CZ 4.43Å; P509-F513 WeakPolarHBondContact O-CD2 3.33Å; V510-F513 PolarHBondContact O-N 2.94Å; F513-R515 PolarHBondContact O-N 3.38Å; F513-N516 PolarHBondContact O-N 3.01Å; F513-I521 HydrophobicContact CD1-CD1 3.53Å; F513-I521 HydrophobicContact CE1-CD1 3.79Å
514	D	83.7	Confident	87.7	Confident	83 Å²	83	47.9 Å²	47.9	44%	0.444	24%	0.238	S	C	.	.	H	α-helix	trans	-67.8	-20.9	172	-70	-25.4	0	0	0	111.9	R73 V510 Y791	R73-D514 IonicContact NH2-OD1 3.76Å; R73-D514 PolarHBondContact NH2-OD1 2.94Å; R73-D514 IonicContact NH2-OD2 3.42Å; R73-D514 PolarHBondContact NH2-OD2 3.32Å; V510-D514 PolarHBondContact O-N 2.82Å; D514-Y791 PolarHBondContact OD2-OH 2.75Å
515	R	80.5	Confident	87.7	Confident	182 Å²	182	46.9 Å²	46.9	69%	0.687	23%	0.234	S	C	*	.	H	α-helix	trans	-94.3	-23.3	175.5	-71.2	174.2	-173.5	178.1	5.9	114.7	S511 Y512 F513	S511-R515 WeakPolarHBondContact O-CB 3.46Å; S511-R515 WeakPolarHBondContact O-CD 3.24Å; S511-R515 WeakPolarHBondContact O-CG 3.5Å; S511-R515 PolarHBondContact O-N 3.18Å; Y512-R515 PolarHBondContact O-N 2.95Å; F513-R515 PolarHBondContact O-N 3.38Å
516	N	81.7	Confident	87.6	Confident	44 Å²	44	47 Å²	47	24%	0.235	23%	0.234	C	C	.	.	S	Bend	trans	-115.2	132.4	-173.8	-74.8	-81.6	0	0	0	111.9	Y512 F513 Q518 I521	Y512-N516 WeakPolarHBondContact CD2-ND2 3.32Å; Y512-N516 VanDerWaalsContact CE2-ND2 3.26Å; Y512-N516 WeakPolarHBondContact CE2-ND2 3.27Å; Y512-N516 WeakPolarHBondContact O-CB 3.05Å; Y512-N516 PolarHBondContact O-N 3.49Å; Y512-N516 PolarHBondContact O-ND2 3.3Å; F513-N516 PolarHBondContact O-N 3.01Å; N516-Q518 PolarHBondContact O-N 3.45Å; N516-I521 HydrophobicContact CB-CD1 4.3Å; N516-I521 HydrophobicContact CB-CG1 4.48Å
517	Q	81.7	Confident	87.6	Confident	164 Å²	164	51.6 Å²	51.6	77%	0.766	26%	0.259	S	S	*	.			trans	-63.2	131	174.9	-66.8	179.9	-15.3	0	0	111.1	G519 N520 I521	Q517-G519 PolarHBondContact O-N 3.3Å; Q517-G519 VanDerWaalsContact O-N 3.15Å; Q517-N520 VanDerWaalsContact O-CB 3.27Å; Q517-N520 WeakPolarHBondContact O-CB 3.38Å; Q517-N520 PolarHBondContact O-N 3.19Å; Q517-I521 PolarHBondContact O-N 3.01Å
518	Q	81.7	Confident	87.7	Confident	91 Å²	91	45.3 Å²	45.3	43%	0.425	24%	0.235	S	C	.	.	H	α-helix	trans	-51.8	-39.9	179.5	-63.6	173.6	-12.8	0	0	112.6	L69 N516 N520 I521 L522	L69-Q518 HydrophobicContact CB-CB 4.38Å; L69-Q518 HydrophobicContact CB-CG 4.1Å; L69-Q518 HydrophobicContact CD1-CB 4.32Å; L69-Q518 PolarHBondContact O-NE2 2.94Å; N516-Q518 PolarHBondContact O-N 3.45Å; Q518-N520 VanDerWaalsContact C-N 3.28Å; Q518-N520 PolarHBondContact O-N 3.06Å; Q518-I521 PolarHBondContact O-N 2.73Å; Q518-I521 VanDerWaalsContact O-N 3.16Å; Q518-L522 PolarHBondContact O-N 3.28Å
519	G	83.5	Confident	87.8	Confident	49 Å²	49	45.3 Å²	45.3	51%	0.505	24%	0.235	S	C	.	.	H	α-helix	trans	-62.2	-29.1	176.4	0	0	0	0	0	114.7	Q517 S523	Q517-G519 PolarHBondContact O-N 3.3Å; Q517-G519 VanDerWaalsContact O-N 3.15Å; G519-S523 WeakPolarHBondContact O-CB 3.27Å; G519-S523 PolarHBondContact O-N 3.47Å; G519-S523 PolarHBondContact O-OG 2.94Å
520	N	84.1	Confident	87.8	Confident	55 Å²	55	45 Å²	45	29%	0.294	23%	0.232	S	C	.	.	H	α-helix	trans	-70.6	-40.7	174.6	-174.6	33.4	0	0	0	110.7	Q517 Q518 S523 R524	Q517-N520 VanDerWaalsContact O-CB 3.27Å; Q517-N520 WeakPolarHBondContact O-CB 3.38Å; Q517-N520 PolarHBondContact O-N 3.19Å; Q518-N520 VanDerWaalsContact C-N 3.28Å; Q518-N520 PolarHBondContact O-N 3.06Å; N520-S523 PolarHBondContact O-N 3.15Å; N520-S523 PolarHBondContact O-OG 3.36Å; N520-R524 WeakPolarHBondContact O-CG 3.36Å; N520-R524 PolarHBondContact O-N 3.26Å
521	I	89.2	Confident	87.9	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-65.5	-47.6	175.6	-58	170.9	0	0	0	109.9	L69 I505 Y512 F513 N516 Q517 Q518 S523 R524 V525 I718	L69-I521 HydrophobicContact CD1-CB 3.97Å; L69-I521 HydrophobicContact CD1-CG2 3.93Å; L69-I521 HydrophobicContact CD2-CD1 4.03Å; L69-I521 HydrophobicContact CD2-CG2 4.11Å; I505-I521 HydrophobicContact CD1-CG2 3.85Å; I505-I521 HydrophobicContact CG1-CG2 4.41Å; Y512-I521 HydrophobicContact CD1-CD1 4.41Å; Y512-I521 HydrophobicContact CE1-CD1 3.86Å; Y512-I521 HydrophobicContact CE1-CG1 4.24Å; F513-I521 HydrophobicContact CD1-CD1 3.53Å; F513-I521 HydrophobicContact CE1-CD1 3.79Å; N516-I521 HydrophobicContact CB-CD1 4.3Å; N516-I521 HydrophobicContact CB-CG1 4.48Å; Q517-I521 PolarHBondContact O-N 3.01Å; Q518-I521 PolarHBondContact O-N 2.73Å; Q518-I521 VanDerWaalsContact O-N 3.16Å; I521-S523 VanDerWaalsContact C-N 3.31Å; I521-S523 PolarHBondContact O-N 3.22Å; I521-R524 WeakPolarHBondContact O-CB 3.34Å; I521-R524 PolarHBondContact O-N 3.22Å; I521-V525 PolarHBondContact O-N 3.41Å; I521-I718 HydrophobicContact CG2-CD1 4.33Å
522	L	89.1	Confident	88.2	Confident	22 Å²	22	45.5 Å²	45.5	12%	0.115	24%	0.236	C	C	.	.	H	α-helix	trans	-54	-45.6	175.8	-171.4	68.2	0	0	0	112.4	N62 L65 Q518 R524 V525 T526	N62-L522 HydrophobicContact CB-CD1 4.28Å; N62-L522 VanDerWaalsContact OD1-CD1 3.31Å; N62-L522 WeakPolarHBondContact OD1-CD1 3.4Å; N62-L522 WeakPolarHBondContact OD1-CG 3.37Å; L65-L522 HydrophobicContact CB-CD1 3.6Å; L65-L522 HydrophobicContact CD1-CD1 3.97Å; L65-L522 HydrophobicContact CG-CD1 4.47Å; Q518-L522 PolarHBondContact O-N 3.28Å; L522-R524 VanDerWaalsContact C-N 3.26Å; L522-R524 PolarHBondContact O-N 3.07Å; L522-V525 PolarHBondContact O-N 3.3Å; L522-T526 PolarHBondContact O-N 3.04Å; L522-T526 VanDerWaalsContact O-N 3.16Å; L522-T526 PolarHBondContact O-OG1 3.31Å
523	S	88.6	Confident	88.4	Confident	34 Å²	34	45.4 Å²	45.4	24%	0.238	24%	0.236	C	C	.	.	H	α-helix	trans	-66.5	-26.1	179.7	75.1	0	0	0	0	113.7	G519 N520 I521 N527 D528	G519-S523 WeakPolarHBondContact O-CB 3.27Å; G519-S523 PolarHBondContact O-N 3.47Å; G519-S523 PolarHBondContact O-OG 2.94Å; N520-S523 PolarHBondContact O-N 3.15Å; N520-S523 PolarHBondContact O-OG 3.36Å; I521-S523 VanDerWaalsContact C-N 3.31Å; I521-S523 PolarHBondContact O-N 3.22Å; S523-N527 WeakPolarHBondContact O-CB 3.23Å; S523-N527 PolarHBondContact O-N 3.49Å; S523-D528 PolarHBondContact O-N 3.48Å
524	R	89.7	Confident	88.5	Confident	20 Å²	20	48 Å²	48	8%	0.075	25%	0.251	C	S	.	.	I	π-helix	trans	-74	-40.2	176.2	-71.9	170.8	178.6	-150.6	-0.8	111.6	N520 I521 L522 V529 R714 E717 I718	N520-R524 WeakPolarHBondContact O-CG 3.36Å; N520-R524 PolarHBondContact O-N 3.26Å; I521-R524 WeakPolarHBondContact O-CB 3.34Å; I521-R524 PolarHBondContact O-N 3.22Å; L522-R524 VanDerWaalsContact C-N 3.26Å; L522-R524 PolarHBondContact O-N 3.07Å; R524-V529 PolarHBondContact O-N 3.2Å; R524-R714 WeakPolarHBondContact CD-O 3.49Å; R524-R714 HydrophobicContact CG-CB 4.19Å; R524-R714 PolarHBondContact NH1-O 3.39Å; R524-E717 IonicContact CZ-OE2 3.45Å; R524-E717 IonicContact NH1-OE2 3.59Å; R524-E717 IonicContact NH2-OE2 3.8Å; R524-E717 PolarHBondContact NH2-OE2 2.91Å; R524-E717 VanDerWaalsContact NH2-OE2 3.14Å; R524-I718 HydrophobicContact CB-CD1 3.82Å; R524-I718 HydrophobicContact CG-CD1 4.33Å
525	V	93.4	Very high	88.8	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.234	C	C	.	.	I	π-helix	trans	-74.3	-28.3	178.8	-170.5	0	0	0	0	112.9	L65 F88 R498 I501 I505 I521 L522 V529	L65-V525 HydrophobicContact CD1-CB 3.66Å; L65-V525 HydrophobicContact CD1-CG1 3.59Å; L65-V525 HydrophobicContact CD1-CG2 4.09Å; L65-V525 HydrophobicContact CD2-CG2 4.34Å; F88-V525 HydrophobicContact CZ-CG1 4.18Å; R498-V525 HydrophobicContact CB-CG1 4.43Å; R498-V525 HydrophobicContact CG-CG1 4.02Å; R498-V525 PolarHBondContact NE-O 3.16Å; I501-V525 HydrophobicContact CB-CG2 4.43Å; I501-V525 HydrophobicContact CD1-CG2 4.48Å; I501-V525 HydrophobicContact CG2-CG2 3.69Å; I505-V525 HydrophobicContact CD1-CG2 4.31Å; I521-V525 PolarHBondContact O-N 3.41Å; L522-V525 PolarHBondContact O-N 3.3Å; V525-V529 WeakPolarHBondContact O-CB 3.49Å; V525-V529 WeakPolarHBondContact O-CG2 3.28Å
526	T	92.4	Very high	89.3	Confident	4 Å²	4	38.5 Å²	38.5	3%	0.025	22%	0.215	C	C	.	.	I	π-helix	trans	-100.8	-81.5	-179.4	56.1	0	0	0	0	112.1	L58 I61 N62 L522 D528 V529 D530	L58-T526 HydrophobicContact CD1-CG2 3.92Å; I61-T526 HydrophobicContact CG2-CG2 4.1Å; N62-T526 VanDerWaalsContact OD1-CG2 3.3Å; N62-T526 WeakPolarHBondContact OD1-CG2 3.22Å; L522-T526 PolarHBondContact O-N 3.04Å; L522-T526 VanDerWaalsContact O-N 3.16Å; L522-T526 PolarHBondContact O-OG1 3.31Å; T526-D528 PolarHBondContact O-N 2.89Å; T526-V529 PolarHBondContact O-N 3.34Å; T526-D530 WeakPolarHBondContact O-CB 3.39Å; T526-D530 PolarHBondContact O-N 2.87Å
527	N	90.6	Very high	89.6	Confident	105 Å²	105	37.8 Å²	37.8	56%	0.561	21%	0.21	S	C	*	.	I	π-helix	trans	-59.4	-40.1	-171.1	-63.4	-26.9	0	0	0	113.4	S523 A531	S523-N527 WeakPolarHBondContact O-CB 3.23Å; S523-N527 PolarHBondContact O-N 3.49Å; N527-A531 WeakPolarHBondContact O-CB 3.41Å; N527-A531 PolarHBondContact O-N 2.93Å
528	D	92.9	Very high	89.8	Confident	7 Å²	7	34 Å²	34	4%	0.037	19%	0.192	C	C	.	.	I	π-helix	trans	-75.6	-40.9	-179.4	-76.3	-27.6	0	0	0	113.1	S523 T526 D530 A531 V532 S711 R714 V715	S523-D528 PolarHBondContact O-N 3.48Å; T526-D528 PolarHBondContact O-N 2.89Å; D528-D530 VanDerWaalsContact C-N 3.32Å; D528-D530 PolarHBondContact O-N 3.05Å; D528-A531 PolarHBondContact O-N 3.02Å; D528-V532 WeakPolarHBondContact O-CG2 3.4Å; D528-V532 PolarHBondContact O-N 2.94Å; D528-S711 VanDerWaalsContact OD1-CB 3.28Å; D528-S711 WeakPolarHBondContact OD1-CB 3.46Å; D528-S711 PolarHBondContact OD1-OG 2.59Å; D528-R714 IonicContact OD1-CZ 3.35Å; D528-R714 IonicContact OD1-NE 2.68Å; D528-R714 IonicContact OD1-NH2 3.44Å; D528-R714 PolarHBondContact OD1-NH2 3.42Å; D528-R714 WeakPolarHBondContact OD2-CB 3.47Å; D528-R714 IonicContact OD2-CZ 2.99Å; D528-R714 IonicContact OD2-NE 3.78Å; D528-R714 PolarHBondContact OD2-NE 3.07Å; D528-R714 IonicContact OD2-NH2 3.37Å; D528-R714 PolarHBondContact OD2-NH2 3.08Å; D528-V715 HydrophobicContact CB-CG2 3.79Å
529	V	94.8	Very high	90.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.4	-43.3	170.7	176.9	0	0	0	0	110.4	M494 L497 R498 I501 R524 V525 T526 A531 V532 S533 V715	M494-V529 HydrophobicContact CB-CG1 3.98Å; M494-V529 HydrophobicContact CG-CG1 4.31Å; M494-V529 HydrophobicContact SD-CG1 3.67Å; M494-V529 VanDerWaalsContact SD-O 3.37Å; L497-V529 HydrophobicContact CD2-CG1 4.36Å; L497-V529 HydrophobicContact CD2-CG2 4.16Å; L497-V529 HydrophobicContact CG-CG2 4.38Å; R498-V529 HydrophobicContact CG-CG1 4.1Å; R498-V529 HydrophobicContact CG-CG2 4.28Å; I501-V529 HydrophobicContact CD1-CG2 3.89Å; R524-V529 PolarHBondContact O-N 3.2Å; V525-V529 WeakPolarHBondContact O-CB 3.49Å; V525-V529 WeakPolarHBondContact O-CG2 3.28Å; T526-V529 PolarHBondContact O-N 3.34Å; V529-A531 VanDerWaalsContact C-N 3.34Å; V529-A531 PolarHBondContact O-N 2.97Å; V529-V532 PolarHBondContact O-N 2.88Å; V529-S533 WeakPolarHBondContact O-CB 3.39Å; V529-S533 PolarHBondContact O-N 2.99Å; V529-V715 HydrophobicContact CG2-CG2 4.25Å
530	D	92.4	Very high	90.1	Very high	23 Å²	23	31.1 Å²	31.1	12%	0.123	17%	0.168	C	C	.	.	H	α-helix	trans	-68.7	-29.4	177.2	-74.9	-36.1	0	0	0	112.9	Y95 R498 T526 D528 S533 N534	Y95-D530 PolarHBondContact OH-OD1 3.35Å; Y95-D530 VanDerWaalsContact OH-OD1 3.1Å; R498-D530 IonicContact CZ-OD1 3.01Å; R498-D530 VanDerWaalsContact NH2-CG 3.3Å; R498-D530 IonicContact NH2-OD1 3.38Å; R498-D530 PolarHBondContact NH2-OD1 2.79Å; R498-D530 IonicContact NH2-OD2 2.97Å; R498-D530 PolarHBondContact NH2-OD2 3.05Å; T526-D530 WeakPolarHBondContact O-CB 3.39Å; T526-D530 PolarHBondContact O-N 2.87Å; D528-D530 VanDerWaalsContact C-N 3.32Å; D528-D530 PolarHBondContact O-N 3.05Å; D530-S533 WeakPolarHBondContact O-CB 3.12Å; D530-S533 PolarHBondContact O-N 3.03Å; D530-N534 WeakPolarHBondContact O-CB 3.46Å; D530-N534 PolarHBondContact O-N 3.06Å; D530-N534 PolarHBondContact O-ND2 3.32Å
531	A	90.8	Very high	90.2	Very high	20 Å²	20	30.2 Å²	30.2	17%	0.165	16%	0.163	C	C	.	.	H	α-helix	trans	-66.6	-41.3	171	0	0	0	0	0	112.1	N527 D528 V529 A535 S711	N527-A531 WeakPolarHBondContact O-CB 3.41Å; N527-A531 PolarHBondContact O-N 2.93Å; D528-A531 PolarHBondContact O-N 3.02Å; V529-A531 VanDerWaalsContact C-N 3.34Å; V529-A531 PolarHBondContact O-N 2.97Å; A531-A535 PolarHBondContact O-N 3.27Å; A531-A535 VanDerWaalsContact O-N 3.17Å; A531-S711 WeakPolarHBondContact CB-OG 3.4Å
532	V	93.7	Very high	90.2	Very high	21 Å²	21	32.7 Å²	32.7	13%	0.127	17%	0.174	C	C	.	.	H	α-helix	trans	-63.7	-47.3	172.5	175.4	0	0	0	0	110.6	M494 D528 V529 N534 A535 M536 A712	M494-V532 HydrophobicContact CE-CG1 4.01Å; M494-V532 HydrophobicContact SD-CB 4.28Å; M494-V532 HydrophobicContact SD-CG1 4.14Å; D528-V532 WeakPolarHBondContact O-CG2 3.4Å; D528-V532 PolarHBondContact O-N 2.94Å; V529-V532 PolarHBondContact O-N 2.88Å; V532-N534 PolarHBondContact O-N 2.66Å; V532-A535 PolarHBondContact O-N 3.47Å; V532-M536 HydrophobicContact CG1-CG 4.42Å; V532-M536 HydrophobicContact CG1-SD 4.18Å; V532-M536 WeakPolarHBondContact O-CG 3.13Å; V532-M536 PolarHBondContact O-N 2.53Å; V532-A712 HydrophobicContact CG2-CB 3.94Å
533	S	93.4	Very high	90	Very high	5 Å²	5	33.9 Å²	33.9	4%	0.035	18%	0.184	C	C	.	.	H	α-helix	trans	-51.4	-51.4	174.8	-172.4	0	0	0	0	112.1	Q491 V529 D530 A535 M536 Q537	Q491-S533 PolarHBondContact NE2-OG 2.88Å; V529-S533 WeakPolarHBondContact O-CB 3.39Å; V529-S533 PolarHBondContact O-N 2.99Å; D530-S533 WeakPolarHBondContact O-CB 3.12Å; D530-S533 PolarHBondContact O-N 3.03Å; S533-A535 PolarHBondContact O-N 2.88Å; S533-M536 PolarHBondContact O-N 3.01Å; S533-Q537 WeakPolarHBondContact O-CB 3.27Å; S533-Q537 PolarHBondContact O-N 2.89Å
534	N	90.5	Very high	89.9	Confident	78 Å²	78	36.6 Å²	36.6	42%	0.417	20%	0.195	S	C	.	.	H	α-helix	trans	-61.7	-41.5	-179.8	-83.4	-56.1	0	0	0	112.6	D530 V532 Q537 Q538	D530-N534 WeakPolarHBondContact O-CB 3.46Å; D530-N534 PolarHBondContact O-N 3.06Å; D530-N534 PolarHBondContact O-ND2 3.32Å; V532-N534 PolarHBondContact O-N 2.66Å; N534-Q537 PolarHBondContact O-N 3.45Å; N534-Q538 WeakPolarHBondContact O-CB 3.32Å; N534-Q538 PolarHBondContact O-N 2.96Å
535	A	90.2	Very high	89.9	Confident	10 Å²	10	39.5 Å²	39.5	8%	0.083	21%	0.212	C	C	.	.	H	α-helix	trans	-68.2	-40.3	175.8	0	0	0	0	0	112.4	A531 V532 S533 Q537 Q538 A539 A708	A531-A535 PolarHBondContact O-N 3.27Å; A531-A535 VanDerWaalsContact O-N 3.17Å; V532-A535 PolarHBondContact O-N 3.47Å; S533-A535 PolarHBondContact O-N 2.88Å; A535-Q537 VanDerWaalsContact C-N 3.34Å; A535-Q537 PolarHBondContact O-N 3.35Å; A535-Q538 PolarHBondContact O-N 3.31Å; A535-A539 WeakPolarHBondContact O-CA 3.5Å; A535-A539 WeakPolarHBondContact O-CB 3.35Å; A535-A539 PolarHBondContact O-N 2.93Å; A535-A708 HydrophobicContact CB-CB 3.36Å
536	M	90.1	Very high	89.7	Confident	56 Å²	56	40.3 Å²	40.3	28%	0.276	22%	0.218	S	C	.	.	H	α-helix	trans	-63	-41.8	174.7	-68.5	-175	74.8	0	0	111.8	V490 M494 V532 S533 I540	V490-M536 HydrophobicContact CG1-CB 4.04Å; V490-M536 HydrophobicContact CG2-CB 3.83Å; M494-M536 HydrophobicContact CE-SD 3.9Å; V532-M536 HydrophobicContact CG1-CG 4.42Å; V532-M536 HydrophobicContact CG1-SD 4.18Å; V532-M536 WeakPolarHBondContact O-CG 3.13Å; V532-M536 PolarHBondContact O-N 2.53Å; S533-M536 PolarHBondContact O-N 3.01Å; M536-I540 HydrophobicContact CB-CD1 4.2Å; M536-I540 HydrophobicContact CG-CD1 4.29Å
537	Q	88.7	Confident	89.7	Confident	28 Å²	28	44.4 Å²	44.4	13%	0.131	24%	0.243	C	C	.	.	H	α-helix	trans	-67.7	-34.2	-179.4	-172.4	60.5	77.1	0	0	113.1	F103 S533 N534 A535	F103-Q537 HydrophobicContact CE1-CG 4.24Å; S533-Q537 WeakPolarHBondContact O-CB 3.27Å; S533-Q537 PolarHBondContact O-N 2.89Å; N534-Q537 PolarHBondContact O-N 3.45Å; A535-Q537 VanDerWaalsContact C-N 3.34Å; A535-Q537 PolarHBondContact O-N 3.35Å
538	Q	86.3	Confident	89.8	Confident	84 Å²	84	43.7 Å²	43.7	39%	0.393	24%	0.239	S	C	.	.	H	α-helix	trans	-105.5	-43.2	-175.4	-64.2	-167.1	56.7	0	0	115	N534 A535 K542 M704	N534-Q538 WeakPolarHBondContact O-CB 3.32Å; N534-Q538 PolarHBondContact O-N 2.96Å; A535-Q538 PolarHBondContact O-N 3.31Å; Q538-K542 WeakPolarHBondContact O-CB 3.09Å; Q538-K542 VanDerWaalsContact O-CG 3.23Å; Q538-K542 WeakPolarHBondContact O-CG 3.35Å; Q538-K542 PolarHBondContact O-N 2.72Å; Q538-M704 HydrophobicContact CB-CE 4.44Å; Q538-M704 HydrophobicContact CB-SD 4.08Å
539	A	87.6	Confident	89.7	Confident	6 Å²	6	44.1 Å²	44.1	5%	0.05	25%	0.245	C	C	.	.	H	α-helix	trans	-79.4	-37.3	-168.1	0	0	0	0	0	113.5	A535 S543 L701 I705	A535-A539 WeakPolarHBondContact O-CA 3.5Å; A535-A539 WeakPolarHBondContact O-CB 3.35Å; A535-A539 PolarHBondContact O-N 2.93Å; A539-S543 WeakPolarHBondContact O-CB 3.19Å; A539-S543 PolarHBondContact O-N 3.03Å; A539-S543 PolarHBondContact O-OG 3.29Å; A539-L701 HydrophobicContact CB-CD2 4.07Å; A539-I705 HydrophobicContact CB-CG1 4.19Å
540	I	84.3	Confident	89.5	Confident	75 Å²	75	45.5 Å²	45.5	39%	0.385	25%	0.252	S	S	.	.	H	α-helix	trans	-64.3	-53	-176.7	-63.7	175.7	0	0	0	110.5	M536 K542 S543 I544	M536-I540 HydrophobicContact CB-CD1 4.2Å; M536-I540 HydrophobicContact CG-CD1 4.29Å; I540-K542 PolarHBondContact O-N 2.7Å; I540-S543 PolarHBondContact O-N 2.76Å; I540-I544 HydrophobicContact CG2-CD1 3.96Å; I540-I544 WeakPolarHBondContact O-CG1 3.42Å; I540-I544 PolarHBondContact O-N 2.71Å
541	I	84.9	Confident	89.6	Confident	35 Å²	35	49.7 Å²	49.7	18%	0.179	27%	0.274	C	S	.	.	H	α-helix	trans	-59.1	-47.9	179.4	-56	172.4	0	0	0	110.5	T482 M486 S543 I544 N545	T482-I541 HydrophobicContact CG2-CD1 4.35Å; M486-I541 HydrophobicContact CB-CD1 4.18Å; M486-I541 HydrophobicContact CE-CD1 4.27Å; M486-I541 HydrophobicContact CE-CG1 4.06Å; M486-I541 HydrophobicContact CG-CD1 3.73Å; M486-I541 HydrophobicContact CG-CG1 4.06Å; M486-I541 HydrophobicContact SD-CG1 4.33Å; I541-S543 VanDerWaalsContact C-N 3.35Å; I541-S543 PolarHBondContact O-N 3.05Å; I541-I544 PolarHBondContact O-N 3.19Å; I541-N545 WeakPolarHBondContact O-CB 2.85Å; I541-N545 PolarHBondContact O-N 3.01Å
542	K	89.2	Confident	89.8	Confident	53 Å²	53	54.2 Å²	54.2	23%	0.23	29%	0.294	C	S	.	.	H	α-helix	trans	-61.7	-40.7	179.6	-74.4	-177.4	177.8	-146.1	0	112.3	Q538 I540 N545 A546 E697 L701	Q538-K542 WeakPolarHBondContact O-CB 3.09Å; Q538-K542 VanDerWaalsContact O-CG 3.23Å; Q538-K542 WeakPolarHBondContact O-CG 3.35Å; Q538-K542 PolarHBondContact O-N 2.72Å; I540-K542 PolarHBondContact O-N 2.7Å; K542-N545 PolarHBondContact O-N 3.45Å; K542-A546 WeakPolarHBondContact O-CB 3.35Å; K542-A546 PolarHBondContact O-N 2.84Å; K542-E697 IonicContact NZ-OE1 2.92Å; K542-E697 PolarHBondContact NZ-OE1 3.09Å; K542-L701 HydrophobicContact CB-CD1 4.33Å; K542-L701 HydrophobicContact CB-CD2 3.86Å; K542-L701 HydrophobicContact CD-CD2 3.87Å
543	S	85.8	Confident	89.8	Confident	47 Å²	47	53.3 Å²	53.3	33%	0.329	29%	0.29	S	S	.	.	H	α-helix	trans	-66.6	-40.9	178.5	-58.5	0	0	0	0	112.3	A539 I540 I541 A546 V547	A539-S543 WeakPolarHBondContact O-CB 3.19Å; A539-S543 PolarHBondContact O-N 3.03Å; A539-S543 PolarHBondContact O-OG 3.29Å; I540-S543 PolarHBondContact O-N 2.76Å; I541-S543 VanDerWaalsContact C-N 3.35Å; I541-S543 PolarHBondContact O-N 3.05Å; S543-A546 PolarHBondContact O-N 3.37Å; S543-V547 WeakPolarHBondContact O-CG2 3.37Å; S543-V547 PolarHBondContact O-N 2.91Å; S543-V547 VanDerWaalsContact O-N 3.11Å
544	I	87.3	Confident	89.8	Confident	91 Å²	91	54.5 Å²	54.5	47%	0.467	30%	0.296	S	S	.	.	H	α-helix	trans	-65.5	-47.9	175.4	-65.5	168.6	0	0	0	110.2	I540 I541 A546 V547 L548	I540-I544 HydrophobicContact CG2-CD1 3.96Å; I540-I544 WeakPolarHBondContact O-CG1 3.42Å; I540-I544 PolarHBondContact O-N 2.71Å; I541-I544 PolarHBondContact O-N 3.19Å; I544-A546 VanDerWaalsContact C-N 3.3Å; I544-A546 PolarHBondContact O-N 3.48Å; I544-V547 PolarHBondContact O-N 2.79Å; I544-L548 HydrophobicContact CG2-CD1 3.74Å; I544-L548 HydrophobicContact CG2-CG 4.34Å; I544-L548 WeakPolarHBondContact O-CB 3.3Å; I544-L548 WeakPolarHBondContact O-CG 3.28Å; I544-L548 PolarHBondContact O-N 3.11Å
545	N	88.9	Confident	90	Very high	81 Å²	81	53.5 Å²	53.5	43%	0.433	30%	0.299	S	S	.	.	H	α-helix	trans	-63.6	-33.3	177.1	-75.3	-12	0	0	0	112.7	I541 K542 G549	I541-N545 WeakPolarHBondContact O-CB 2.85Å; I541-N545 PolarHBondContact O-N 3.01Å; K542-N545 PolarHBondContact O-N 3.45Å; N545-G549 VanDerWaalsContact O-CA 3.27Å; N545-G549 WeakPolarHBondContact O-CA 3.41Å; N545-G549 PolarHBondContact O-N 2.83Å
546	A	90	Very high	90.2	Very high	17 Å²	17	56.7 Å²	56.7	14%	0.14	31%	0.313	C	S	.	.	H	α-helix	trans	-63.3	-53.4	174.5	0	0	0	0	0	111.3	K542 S543 I544 I550 P694	K542-A546 WeakPolarHBondContact O-CB 3.35Å; K542-A546 PolarHBondContact O-N 2.84Å; S543-A546 PolarHBondContact O-N 3.37Å; I544-A546 VanDerWaalsContact C-N 3.3Å; I544-A546 PolarHBondContact O-N 3.48Å; A546-I550 WeakPolarHBondContact O-CB 3.37Å; A546-I550 WeakPolarHBondContact O-CD1 3.42Å; A546-I550 WeakPolarHBondContact O-CG1 3.3Å; A546-I550 PolarHBondContact O-N 3.31Å; A546-P694 HydrophobicContact CB-CB 3.64Å; A546-P694 HydrophobicContact CB-CG 4.19Å
547	V	91.3	Very high	90.3	Very high	90 Å²	90	54.3 Å²	54.3	55%	0.545	30%	0.301	S	S	.	.	H	α-helix	trans	-65.7	-49.9	-178.1	175.8	0	0	0	0	111	S543 I544 L551	S543-V547 WeakPolarHBondContact O-CG2 3.37Å; S543-V547 PolarHBondContact O-N 2.91Å; S543-V547 VanDerWaalsContact O-N 3.11Å; I544-V547 PolarHBondContact O-N 2.79Å; V547-L551 HydrophobicContact CG1-CD1 3.96Å; V547-L551 WeakPolarHBondContact O-CB 3.45Å; V547-L551 VanDerWaalsContact O-CG 3.3Å; V547-L551 WeakPolarHBondContact O-CG 3.33Å; V547-L551 PolarHBondContact O-N 3.48Å
548	L	91.9	Very high	90.7	Very high	91 Å²	91	57 Å²	57	48%	0.476	31%	0.313	S	S	.	.	H	α-helix	trans	-64.1	-42.7	177.8	-68.1	178.1	0	0	0	111.7	I544 I550 L551 L552	I544-L548 HydrophobicContact CG2-CD1 3.74Å; I544-L548 HydrophobicContact CG2-CG 4.34Å; I544-L548 WeakPolarHBondContact O-CB 3.3Å; I544-L548 WeakPolarHBondContact O-CG 3.28Å; I544-L548 PolarHBondContact O-N 3.11Å; L548-I550 PolarHBondContact O-N 3.16Å; L548-L551 PolarHBondContact O-N 3.12Å; L548-L552 VanDerWaalsContact O-CB 3.28Å; L548-L552 WeakPolarHBondContact O-CB 3.49Å; L548-L552 WeakPolarHBondContact O-CG 3.49Å; L548-L552 PolarHBondContact O-N 3.49Å
549	G	91.3	Very high	91	Very high	15 Å²	15	62 Å²	62	16%	0.155	33%	0.33	C	S	.	.	H	α-helix	trans	-61.1	-44.9	179.9	0	0	0	0	0	112.8	N545 A553	N545-G549 VanDerWaalsContact O-CA 3.27Å; N545-G549 WeakPolarHBondContact O-CA 3.41Å; N545-G549 PolarHBondContact O-N 2.83Å; G549-A553 WeakPolarHBondContact O-CB 3.28Å; G549-A553 PolarHBondContact O-N 3.05Å
550	I	91.9	Very high	91.2	Very high	29 Å²	29	63.1 Å²	63.1	15%	0.149	33%	0.334	C	S	.	.	H	α-helix	trans	-65.4	-49	175.7	-64.8	160.3	0	0	0	110.6	A546 L548 L552 A553 V554 I572 V691 P694 M695	A546-I550 WeakPolarHBondContact O-CB 3.37Å; A546-I550 WeakPolarHBondContact O-CD1 3.42Å; A546-I550 WeakPolarHBondContact O-CG1 3.3Å; A546-I550 PolarHBondContact O-N 3.31Å; L548-I550 PolarHBondContact O-N 3.16Å; I550-L552 PolarHBondContact O-N 3.34Å; I550-A553 PolarHBondContact O-N 3.35Å; I550-V554 HydrophobicContact CG2-CG2 4.21Å; I550-V554 WeakPolarHBondContact O-CB 3.23Å; I550-V554 VanDerWaalsContact O-CG2 3.25Å; I550-V554 WeakPolarHBondContact O-CG2 3.46Å; I550-V554 PolarHBondContact O-N 3.27Å; I550-I572 HydrophobicContact CG2-CD1 4.15Å; I550-V691 HydrophobicContact CG2-CG1 4.46Å; I550-P694 HydrophobicContact CD1-CB 4.25Å; I550-P694 HydrophobicContact CD1-CG 4.48Å; I550-P694 HydrophobicContact CG1-CG 4.33Å; I550-M695 HydrophobicContact CD1-CE 3.37Å; I550-M695 HydrophobicContact CG1-CE 4.46Å
551	L	94.2	Very high	91.5	Very high	112 Å²	112	60.6 Å²	60.6	59%	0.586	32%	0.321	S	S	*	.	H	α-helix	trans	-61	-45.2	-178	-73.6	175	0	0	0	112.1	V547 L548 A555	V547-L551 HydrophobicContact CG1-CD1 3.96Å; V547-L551 WeakPolarHBondContact O-CB 3.45Å; V547-L551 VanDerWaalsContact O-CG 3.3Å; V547-L551 WeakPolarHBondContact O-CG 3.33Å; V547-L551 PolarHBondContact O-N 3.48Å; L548-L551 PolarHBondContact O-N 3.12Å; L551-A555 WeakPolarHBondContact O-CB 3.29Å; L551-A555 PolarHBondContact O-N 3.46Å
552	L	94.5	Very high	91.9	Very high	114 Å²	114	62.8 Å²	62.8	60%	0.597	34%	0.338	S	S	*	.	H	α-helix	trans	-67.9	-42.3	178.5	-68.2	173.3	0	0	0	111.8	L548 I550 A555 M556	L548-L552 VanDerWaalsContact O-CB 3.28Å; L548-L552 WeakPolarHBondContact O-CB 3.49Å; L548-L552 WeakPolarHBondContact O-CG 3.49Å; L548-L552 PolarHBondContact O-N 3.49Å; I550-L552 PolarHBondContact O-N 3.34Å; L552-A555 PolarHBondContact O-N 3.05Å; L552-M556 WeakPolarHBondContact O-CG 3.47Å; L552-M556 PolarHBondContact O-N 3.32Å
553	A	92.7	Very high	92	Very high	3 Å²	3	67 Å²	67	3%	0.025	36%	0.36	C	S	.	.	H	α-helix	trans	-63.5	-44.8	176.6	0	0	0	0	0	111.7	G549 I550 M556 M557 Y687 Q690 V691	G549-A553 WeakPolarHBondContact O-CB 3.28Å; G549-A553 PolarHBondContact O-N 3.05Å; I550-A553 PolarHBondContact O-N 3.35Å; A553-M556 PolarHBondContact O-N 2.75Å; A553-M557 WeakPolarHBondContact O-CG 3.39Å; A553-M557 PolarHBondContact O-N 2.79Å; A553-Y687 HydrophobicContact CB-CD1 4.22Å; A553-Y687 HydrophobicContact CB-CG 4.42Å; A553-Q690 HydrophobicContact CB-CB 4.36Å; A553-Q690 HydrophobicContact CB-CG 4.09Å; A553-V691 HydrophobicContact CB-CG2 3.71Å
554	V	93.8	Very high	92.3	Very high	29 Å²	29	65 Å²	65	18%	0.176	35%	0.345	C	S	.	.	H	α-helix	trans	-62.2	-44.7	176.3	170.9	0	0	0	0	110.9	I550 M556 M557 F558 I572 V691	I550-V554 HydrophobicContact CG2-CG2 4.21Å; I550-V554 WeakPolarHBondContact O-CB 3.23Å; I550-V554 VanDerWaalsContact O-CG2 3.25Å; I550-V554 WeakPolarHBondContact O-CG2 3.46Å; I550-V554 PolarHBondContact O-N 3.27Å; V554-M556 VanDerWaalsContact C-N 3.34Å; V554-M556 PolarHBondContact O-N 2.78Å; V554-M557 WeakPolarHBondContact O-CB 3.29Å; V554-M557 PolarHBondContact O-N 3.1Å; V554-F558 HydrophobicContact CG1-CD2 3.77Å; V554-F558 HydrophobicContact CG1-CE2 3.7Å; V554-F558 VanDerWaalsContact O-CD2 3.3Å; V554-F558 WeakPolarHBondContact O-CD2 3.45Å; V554-F558 PolarHBondContact O-N 3.25Å; V554-I572 HydrophobicContact CG2-CD1 3.85Å; V554-V691 HydrophobicContact CG2-CG2 4.49Å
555	A	95.6	Very high	92.6	Very high	57 Å²	57	60.7 Å²	60.7	47%	0.471	32%	0.324	S	S	.	.	H	α-helix	trans	-59.1	-42.9	175.4	0	0	0	0	0	112.3	L551 L552 F558 Y559	L551-A555 WeakPolarHBondContact O-CB 3.29Å; L551-A555 PolarHBondContact O-N 3.46Å; L552-A555 PolarHBondContact O-N 3.05Å; A555-F558 PolarHBondContact O-N 3.05Å; A555-Y559 WeakPolarHBondContact O-CB 3.45Å; A555-Y559 PolarHBondContact O-N 2.9Å
556	M	93.6	Very high	92.7	Very high	77 Å²	77	61.8 Å²	61.8	38%	0.379	33%	0.329	S	S	.	.	H	α-helix	trans	-69.3	-35	176.1	-68.8	-58.3	-64.4	0	0	113.1	L552 A553 V554 Y559 I560 Y687	L552-M556 WeakPolarHBondContact O-CG 3.47Å; L552-M556 PolarHBondContact O-N 3.32Å; A553-M556 PolarHBondContact O-N 2.75Å; V554-M556 VanDerWaalsContact C-N 3.34Å; V554-M556 PolarHBondContact O-N 2.78Å; M556-Y559 HydrophobicContact CE-CD1 4.21Å; M556-Y559 PolarHBondContact O-N 3.37Å; M556-I560 WeakPolarHBondContact O-CG1 3.38Å; M556-I560 PolarHBondContact O-N 3.12Å; M556-Y687 HydrophobicContact CB-CD2 4.2Å; M556-Y687 HydrophobicContact CB-CE1 4.28Å; M556-Y687 HydrophobicContact CB-CE2 3.5Å; M556-Y687 VanDerWaalsContact CB-CE2 3.5Å
557	M	93.6	Very high	92.7	Very high	7 Å²	7	63.7 Å²	63.7	3%	0.034	34%	0.336	C	S	.	.	H	α-helix	trans	-60	-47.7	171.2	-73.9	-175.3	177.7	0	0	111.1	A553 V554 Y559 I560 N561 A565 F684 Y687 I688 V691	A553-M557 WeakPolarHBondContact O-CG 3.39Å; A553-M557 PolarHBondContact O-N 2.79Å; V554-M557 WeakPolarHBondContact O-CB 3.29Å; V554-M557 PolarHBondContact O-N 3.1Å; M557-Y559 VanDerWaalsContact C-N 3.31Å; M557-Y559 PolarHBondContact O-N 3.05Å; M557-I560 PolarHBondContact O-N 3.45Å; M557-N561 CarbonylContact O-C 3.07Å; M557-N561 PolarHBondContact O-N 3.32Å; M557-A565 HydrophobicContact CB-CB 3.73Å; M557-F684 HydrophobicContact CB-CE1 3.75Å; M557-F684 HydrophobicContact CB-CZ 3.74Å; M557-F684 HydrophobicContact CE-CD1 4.46Å; M557-F684 HydrophobicContact CG-CD1 4.01Å; M557-F684 HydrophobicContact CG-CE1 3.6Å; M557-F684 HydrophobicContact CG-CZ 4.06Å; M557-F684 WeakPolarHBondContact O-CZ 3.38Å; M557-F684 HydrophobicContact SD-CD1 4.36Å; M557-F684 HydrophobicContact SD-CE1 3.95Å; M557-Y687 VanDerWaalsContact CE-C 3.42Å; M557-Y687 VanDerWaalsContact CE-CB 3.48Å; M557-Y687 HydrophobicContact CG-CD2 4.11Å; M557-Y687 HydrophobicContact CG-CG 4.44Å; M557-I688 HydrophobicContact CE-CG1 4.01Å; M557-V691 HydrophobicContact CE-CG2 4.48Å
558	F	95.4	Very high	92.7	Very high	83 Å²	83	59.5 Å²	59.5	36%	0.364	31%	0.311	S	S	.	.	H	α-helix	trans	-63	-36.4	176.6	-85.1	-73.3	0	0	0	112.5	V554 A555 P562 A565	V554-F558 HydrophobicContact CG1-CD2 3.77Å; V554-F558 HydrophobicContact CG1-CE2 3.7Å; V554-F558 VanDerWaalsContact O-CD2 3.3Å; V554-F558 WeakPolarHBondContact O-CD2 3.45Å; V554-F558 PolarHBondContact O-N 3.25Å; A555-F558 PolarHBondContact O-N 3.05Å; F558-P562 HydrophobicContact CD1-CB 4.16Å; F558-P562 WeakPolarHBondContact O-CD 3.44Å; F558-A565 HydrophobicContact CB-CB 4.47Å; F558-A565 HydrophobicContact CD1-CB 3.88Å; F558-A565 HydrophobicContact CD2-CB 4.13Å; F558-A565 HydrophobicContact CE1-CB 4.08Å; F558-A565 HydrophobicContact CE2-CB 4.32Å; F558-A565 HydrophobicContact CG-CB 3.9Å; F558-A565 HydrophobicContact CZ-CB 4.3Å
559	Y	93.4	Very high	92.6	Very high	191 Å²	191	59.1 Å²	59.1	75%	0.749	31%	0.308	S	S	*	.	H	α-helix	trans	-63.9	-38.8	174.9	176.5	-99.5	0	0	0	112.9	A555 M556 M557	A555-Y559 WeakPolarHBondContact O-CB 3.45Å; A555-Y559 PolarHBondContact O-N 2.9Å; M556-Y559 HydrophobicContact CE-CD1 4.21Å; M556-Y559 PolarHBondContact O-N 3.37Å; M557-Y559 VanDerWaalsContact C-N 3.31Å; M557-Y559 PolarHBondContact O-N 3.05Å
560	I	90.8	Very high	92.6	Very high	28 Å²	28	63.6 Å²	63.6	14%	0.144	33%	0.327	C	S	.	.	H	α-helix	trans	-78.5	-50.7	179.1	-64.4	172.2	0	0	0	111.7	M556 M557 Q680 A683 F684 Y687	M556-I560 WeakPolarHBondContact O-CG1 3.38Å; M556-I560 PolarHBondContact O-N 3.12Å; M557-I560 PolarHBondContact O-N 3.45Å; I560-Q680 HydrophobicContact CG2-CB 3.78Å; I560-Q680 HydrophobicContact CG2-CG 4.02Å; I560-A683 HydrophobicContact CD1-CB 3.93Å; I560-F684 HydrophobicContact CB-CD2 4.18Å; I560-F684 HydrophobicContact CB-CE2 3.77Å; I560-F684 HydrophobicContact CG2-CD2 3.82Å; I560-F684 HydrophobicContact CG2-CE2 3.7Å; I560-Y687 HydrophobicContact CD1-CE2 3.83Å
561	N	92.3	Very high	92.6	Very high	22 Å²	22	62.4 Å²	62.4	12%	0.118	32%	0.321	C	S	.	.			trans	-158.4	108.1	179	-171	-73.4	0	0	0	112	M557 M563 M564 A565 F684	M557-N561 CarbonylContact O-C 3.07Å; M557-N561 PolarHBondContact O-N 3.32Å; N561-M563 VanDerWaalsContact C-N 3.32Å; N561-M563 PolarHBondContact O-N 3.09Å; N561-M563 PolarHBondContact OD1-N 3.15Å; N561-M563 VanDerWaalsContact OD1-N 3.14Å; N561-M564 HydrophobicContact CB-CB 4.15Å; N561-M564 HydrophobicContact CB-CE 3.64Å; N561-M564 HydrophobicContact CB-CG 4.35Å; N561-M564 PolarHBondContact O-N 2.74Å; N561-M564 PolarHBondContact OD1-N 2.83Å; N561-A565 WeakPolarHBondContact O-CB 3.3Å; N561-A565 PolarHBondContact O-N 2.7Å; N561-F684 HydrophobicContact CB-CE2 3.93Å; N561-F684 HydrophobicContact CB-CZ 4.31Å
562	P	92.5	Very high	92.5	Very high	82 Å²	82	58.5 Å²	58.5	53%	0.532	30%	0.3	S	S	.	.	H	α-helix	trans	-59.3	-33.9	-177.7	-27.8	34.9	0	0	0	115.4	F558 L566	F558-P562 HydrophobicContact CD1-CB 4.16Å; F558-P562 WeakPolarHBondContact O-CD 3.44Å; P562-L566 PolarHBondContact O-N 3.37Å
563	M	91	Very high	92.4	Very high	142 Å²	142	56.5 Å²	56.5	70%	0.7	30%	0.295	S	S	*	.	H	α-helix	trans	-72.9	-45.8	-177.6	-171.8	-176.4	-176.4	0	0	111.2	N561 A565 L566 I567	N561-M563 VanDerWaalsContact C-N 3.32Å; N561-M563 PolarHBondContact O-N 3.09Å; N561-M563 PolarHBondContact OD1-N 3.15Å; N561-M563 VanDerWaalsContact OD1-N 3.14Å; M563-A565 VanDerWaalsContact C-N 3.32Å; M563-L566 PolarHBondContact O-N 3.38Å; M563-I567 WeakPolarHBondContact O-CG1 3.34Å; M563-I567 PolarHBondContact O-N 3.1Å
564	M	92.2	Very high	92.4	Very high	3 Å²	3	60.6 Å²	60.6	2%	0.015	32%	0.315	C	S	.	.	H	α-helix	trans	-65.8	-35.1	173.9	-67.8	-162.3	-49.5	0	0	111.9	N561 I567 S568 M663 I676 F684	N561-M564 HydrophobicContact CB-CB 4.15Å; N561-M564 HydrophobicContact CB-CE 3.64Å; N561-M564 HydrophobicContact CB-CG 4.35Å; N561-M564 PolarHBondContact O-N 2.74Å; N561-M564 PolarHBondContact OD1-N 2.83Å; M564-I567 PolarHBondContact O-N 3.04Å; M564-S568 WeakPolarHBondContact O-CB 3.15Å; M564-S568 PolarHBondContact O-N 3.01Å; M564-S568 PolarHBondContact O-OG 3.07Å; M564-M663 HydrophobicContact CB-SD 3.62Å; M564-M663 HydrophobicContact CG-SD 3.92Å; M564-M663 HydrophobicContact SD-SD 4.04Å; M564-I676 HydrophobicContact CE-CD1 3.55Å; M564-I676 HydrophobicContact CE-CG2 4.36Å; M564-I676 HydrophobicContact SD-CD1 4.23Å; M564-F684 HydrophobicContact CB-CE1 3.85Å; M564-F684 HydrophobicContact CB-CE2 4.21Å; M564-F684 HydrophobicContact CB-CZ 3.66Å; M564-F684 HydrophobicContact CE-CD2 3.64Å; M564-F684 HydrophobicContact CE-CE2 3.61Å; M564-F684 HydrophobicContact CE-CG 4.23Å; M564-F684 HydrophobicContact CE-CZ 4.18Å
565	A	92.9	Very high	92.4	Very high	2 Å²	2	59.2 Å²	59.2	2%	0.017	31%	0.307	C	S	.	.	H	α-helix	trans	-61.5	-46.5	174.1	0	0	0	0	0	112	M557 F558 N561 M563 I567 S568 M569 F684	M557-A565 HydrophobicContact CB-CB 3.73Å; F558-A565 HydrophobicContact CB-CB 4.47Å; F558-A565 HydrophobicContact CD1-CB 3.88Å; F558-A565 HydrophobicContact CD2-CB 4.13Å; F558-A565 HydrophobicContact CE1-CB 4.08Å; F558-A565 HydrophobicContact CE2-CB 4.32Å; F558-A565 HydrophobicContact CG-CB 3.9Å; F558-A565 HydrophobicContact CZ-CB 4.3Å; N561-A565 WeakPolarHBondContact O-CB 3.3Å; N561-A565 PolarHBondContact O-N 2.7Å; M563-A565 VanDerWaalsContact C-N 3.32Å; A565-I567 PolarHBondContact O-N 3.43Å; A565-S568 PolarHBondContact O-N 3.29Å; A565-M569 WeakPolarHBondContact O-CB 3.28Å; A565-M569 PolarHBondContact O-N 3.43Å; A565-F684 HydrophobicContact CB-CZ 4.26Å
566	L	92.7	Very high	92.1	Very high	104 Å²	104	59.4 Å²	59.4	55%	0.545	30%	0.3	S	S	.	.	H	α-helix	trans	-61.9	-42.2	179.3	-172.9	69.2	0	0	0	112.3	P562 M563 M569	P562-L566 PolarHBondContact O-N 3.37Å; M563-L566 PolarHBondContact O-N 3.38Å; L566-M569 HydrophobicContact CD1-CE 4.2Å; L566-M569 WeakPolarHBondContact O-CB 3.25Å; L566-M569 PolarHBondContact O-N 2.83Å
567	I	90.1	Very high	92.2	Very high	56 Å²	56	60.2 Å²	60.2	29%	0.287	31%	0.309	S	S	.	.	H	α-helix	trans	-65.1	-44.9	175.8	-63	168.4	0	0	0	110.1	M563 M564 A565 M569 I570 M663 L666	M563-I567 WeakPolarHBondContact O-CG1 3.34Å; M563-I567 PolarHBondContact O-N 3.1Å; M564-I567 PolarHBondContact O-N 3.04Å; A565-I567 PolarHBondContact O-N 3.43Å; I567-M569 PolarHBondContact O-N 3.08Å; I567-I570 WeakPolarHBondContact O-CB 3.49Å; I567-I570 WeakPolarHBondContact O-CG1 3.44Å; I567-I570 PolarHBondContact O-N 2.86Å; I567-M663 HydrophobicContact CB-CE 3.96Å; I567-M663 HydrophobicContact CG2-CE 3.66Å; I567-L666 HydrophobicContact CD1-CD1 3.66Å
568	S	89.7	Confident	92.1	Very high	3 Å²	3	61.5 Å²	61.5	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-63.3	-30.8	177.3	-57.8	0	0	0	0	112.5	M564 A565 I570 M571	M564-S568 WeakPolarHBondContact O-CB 3.15Å; M564-S568 PolarHBondContact O-N 3.01Å; M564-S568 PolarHBondContact O-OG 3.07Å; A565-S568 PolarHBondContact O-N 3.29Å; S568-I570 PolarHBondContact O-N 2.82Å; S568-M571 WeakPolarHBondContact O-CB 3.48Å; S568-M571 PolarHBondContact O-N 3.11Å; S568-M571 VanDerWaalsContact O-N 3.13Å
569	M	90.9	Very high	91.9	Very high	82 Å²	82	57.7 Å²	57.7	40%	0.404	30%	0.299	S	S	.	.	H	α-helix	trans	-63.9	-24	178.8	-162.4	178	73.1	0	0	112.9	A565 L566 I567 M571 I572 P573	A565-M569 WeakPolarHBondContact O-CB 3.28Å; A565-M569 PolarHBondContact O-N 3.43Å; L566-M569 HydrophobicContact CD1-CE 4.2Å; L566-M569 WeakPolarHBondContact O-CB 3.25Å; L566-M569 PolarHBondContact O-N 2.83Å; I567-M569 PolarHBondContact O-N 3.08Å; M569-M571 PolarHBondContact O-N 3.15Å; M569-I572 HydrophobicContact CG-CD1 4.17Å; M569-I572 WeakPolarHBondContact O-CB 3.1Å; M569-I572 PolarHBondContact O-N 2.95Å; M569-P573 WeakPolarHBondContact O-CD 3.4Å
570	I	91.5	Very high	91.8	Very high	110 Å²	110	57 Å²	57	56%	0.564	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-28.8	175.1	-60	174.6	0	0	0	111.6	I567 S568 I572 P573 L574	I567-I570 WeakPolarHBondContact O-CB 3.49Å; I567-I570 WeakPolarHBondContact O-CG1 3.44Å; I567-I570 PolarHBondContact O-N 2.86Å; S568-I570 PolarHBondContact O-N 2.82Å; I570-I572 PolarHBondContact O-N 2.69Å; I570-P573 VanDerWaalsContact O-CD 3.29Å; I570-P573 WeakPolarHBondContact O-CD 3.17Å; I570-P573 WeakPolarHBondContact O-CG 2.91Å; I570-L574 WeakPolarHBondContact O-CB 3.45Å; I570-L574 PolarHBondContact O-N 3.21Å
571	M	91.2	Very high	91.8	Very high	4 Å²	4	62 Å²	62	2%	0.02	32%	0.316	C	S	.	.	H	α-helix	trans	-58	-34.9	175.2	-169.2	-176.5	69.4	0	0	112.6	S568 M569 S575 T655 A656 I688 V691	S568-M571 WeakPolarHBondContact O-CB 3.48Å; S568-M571 PolarHBondContact O-N 3.11Å; S568-M571 VanDerWaalsContact O-N 3.13Å; M569-M571 PolarHBondContact O-N 3.15Å; M571-S575 VanDerWaalsContact O-CB 3.23Å; M571-S575 WeakPolarHBondContact O-CB 3.49Å; M571-S575 PolarHBondContact O-N 2.96Å; M571-S575 PolarHBondContact O-OG 2.88Å; M571-T655 WeakPolarHBondContact CG-OG1 3.42Å; M571-A656 VanDerWaalsContact SD-CA 3.57Å; M571-A656 HydrophobicContact SD-CB 3.94Å; M571-I688 HydrophobicContact CE-CG2 4.35Å; M571-I688 HydrophobicContact SD-CG2 3.83Å; M571-V691 HydrophobicContact CE-CB 3.65Å; M571-V691 HydrophobicContact CE-CG1 3.45Å; M571-V691 VanDerWaalsContact CE-CG1 3.45Å
572	I	91.8	Very high	91.8	Very high	29 Å²	29	61.8 Å²	61.8	15%	0.149	32%	0.315	C	S	.	.	H	α-helix	trans	-67.4	-59.5	-175.2	-57	177.3	0	0	0	112.1	I550 V554 M569 I570 L574 S575 L576 V691	I550-I572 HydrophobicContact CG2-CD1 4.15Å; V554-I572 HydrophobicContact CG2-CD1 3.85Å; M569-I572 HydrophobicContact CG-CD1 4.17Å; M569-I572 WeakPolarHBondContact O-CB 3.1Å; M569-I572 PolarHBondContact O-N 2.95Å; I570-I572 PolarHBondContact O-N 2.69Å; I572-L574 VanDerWaalsContact C-N 3.27Å; I572-L574 PolarHBondContact O-N 3.43Å; I572-S575 PolarHBondContact O-N 3.25Å; I572-L576 HydrophobicContact CG2-CD1 4.03Å; I572-L576 VanDerWaalsContact O-CG 3.31Å; I572-L576 WeakPolarHBondContact O-CG 3.36Å; I572-L576 PolarHBondContact O-N 2.68Å; I572-V691 HydrophobicContact CD1-CG1 3.91Å; I572-V691 HydrophobicContact CG1-CG1 3.63Å
573	P	93.1	Very high	91.6	Very high	73 Å²	73	59.2 Å²	59.2	47%	0.474	30%	0.297	S	S	.	.	H	α-helix	trans	-62.9	-34.1	177.5	26.3	-33.6	0	0	0	112	M569 I570 L576 V577	M569-P573 WeakPolarHBondContact O-CD 3.4Å; I570-P573 VanDerWaalsContact O-CD 3.29Å; I570-P573 WeakPolarHBondContact O-CD 3.17Å; I570-P573 WeakPolarHBondContact O-CG 2.91Å; P573-L576 PolarHBondContact O-N 2.75Å; P573-V577 VanDerWaalsContact O-CG2 3.26Å; P573-V577 WeakPolarHBondContact O-CG2 3.41Å; P573-V577 PolarHBondContact O-N 3.39Å
574	L	93.3	Very high	91.4	Very high	88 Å²	88	58.5 Å²	58.5	46%	0.461	29%	0.292	S	S	.	.	H	α-helix	trans	-64.6	-46.6	176.8	-172.9	59.4	0	0	0	111.4	I570 I572 L576 V577 I578 T655	I570-L574 WeakPolarHBondContact O-CB 3.45Å; I570-L574 PolarHBondContact O-N 3.21Å; I572-L574 VanDerWaalsContact C-N 3.27Å; I572-L574 PolarHBondContact O-N 3.43Å; L574-L576 PolarHBondContact O-N 2.91Å; L574-V577 PolarHBondContact O-N 2.82Å; L574-I578 HydrophobicContact CD1-CD1 4.42Å; L574-I578 HydrophobicContact CG-CD1 4.14Å; L574-I578 VanDerWaalsContact O-CG1 3.31Å; L574-I578 WeakPolarHBondContact O-CG1 3.2Å; L574-I578 PolarHBondContact O-N 3.19Å; L574-T655 HydrophobicContact CB-CG2 4.36Å; L574-T655 HydrophobicContact CD2-CG2 3.61Å; L574-T655 HydrophobicContact CG-CG2 3.72Å
575	S	91.9	Very high	91.3	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-58.5	-46	172.9	-64.2	0	0	0	0	111.7	M571 I572 V577 I578 T579 T655	M571-S575 VanDerWaalsContact O-CB 3.23Å; M571-S575 WeakPolarHBondContact O-CB 3.49Å; M571-S575 PolarHBondContact O-N 2.96Å; M571-S575 PolarHBondContact O-OG 2.88Å; I572-S575 PolarHBondContact O-N 3.25Å; S575-V577 VanDerWaalsContact C-N 3.35Å; S575-V577 PolarHBondContact O-N 3.17Å; S575-I578 PolarHBondContact O-N 3.3Å; S575-T579 WeakPolarHBondContact O-CB 3.47Å; S575-T579 PolarHBondContact O-N 3.24Å; S575-T579 PolarHBondContact O-OG1 2.97Å; S575-T579 VanDerWaalsContact O-OG1 3.1Å; S575-T655 PolarHBondContact OG-OG1 3.07Å; S575-T655 VanDerWaalsContact OG-OG1 3.12Å
576	L	91.2	Very high	91.1	Very high	61 Å²	61	61.4 Å²	61.4	32%	0.319	31%	0.31	S	S	.	.	H	α-helix	trans	-62.8	-37.8	178.7	-70.8	171.4	0	0	0	112.7	I572 P573 L574 R580 M695 I698	I572-L576 HydrophobicContact CG2-CD1 4.03Å; I572-L576 VanDerWaalsContact O-CG 3.31Å; I572-L576 WeakPolarHBondContact O-CG 3.36Å; I572-L576 PolarHBondContact O-N 2.68Å; P573-L576 PolarHBondContact O-N 2.75Å; L574-L576 PolarHBondContact O-N 2.91Å; L576-R580 VanDerWaalsContact O-CB 3.24Å; L576-R580 WeakPolarHBondContact O-CB 3.45Å; L576-R580 WeakPolarHBondContact O-CG 3.26Å; L576-R580 PolarHBondContact O-N 3.44Å; L576-M695 HydrophobicContact CD2-CE 4.28Å; L576-M695 HydrophobicContact CD2-SD 3.78Å; L576-M695 HydrophobicContact CG-SD 4.07Å; L576-I698 HydrophobicContact CD2-CD1 4.39Å
577	V	93.8	Very high	90.6	Very high	95 Å²	95	58.9 Å²	58.9	58%	0.576	30%	0.295	S	S	*	.	H	α-helix	trans	-67	-46.2	175.3	170.1	0	0	0	0	110.9	P573 L574 S575 K581	P573-V577 VanDerWaalsContact O-CG2 3.26Å; P573-V577 WeakPolarHBondContact O-CG2 3.41Å; P573-V577 PolarHBondContact O-N 3.39Å; L574-V577 PolarHBondContact O-N 2.82Å; S575-V577 VanDerWaalsContact C-N 3.35Å; S575-V577 PolarHBondContact O-N 3.17Å; V577-K581 WeakPolarHBondContact O-CB 3.45Å; V577-K581 PolarHBondContact O-N 3.02Å
578	I	92.9	Very high	90.4	Very high	33 Å²	33	64 Å²	64	17%	0.169	32%	0.315	C	S	.	.	H	α-helix	trans	-58.4	-54.7	176.6	-70.6	168.2	0	0	0	110.2	L574 S575 R580 K581 I582 L651 V652 T655	L574-I578 HydrophobicContact CD1-CD1 4.42Å; L574-I578 HydrophobicContact CG-CD1 4.14Å; L574-I578 VanDerWaalsContact O-CG1 3.31Å; L574-I578 WeakPolarHBondContact O-CG1 3.2Å; L574-I578 PolarHBondContact O-N 3.19Å; S575-I578 PolarHBondContact O-N 3.3Å; I578-R580 PolarHBondContact O-N 2.97Å; I578-K581 PolarHBondContact O-N 3.39Å; I578-I582 HydrophobicContact CG2-CD1 3.72Å; I578-I582 WeakPolarHBondContact O-CG1 3.38Å; I578-I582 PolarHBondContact O-N 3.16Å; I578-L651 HydrophobicContact CD1-CB 4.48Å; I578-L651 HydrophobicContact CG2-CB 3.68Å; I578-L651 HydrophobicContact CG2-CD1 4.38Å; I578-V652 HydrophobicContact CG2-CG2 4.37Å; I578-T655 HydrophobicContact CD1-CG2 3.61Å
579	T	90.8	Very high	90.3	Very high	4 Å²	4	65.2 Å²	65.2	3%	0.025	32%	0.322	C	S	.	.	H	α-helix	trans	-58.3	-48.4	179.9	-63.6	0	0	0	0	111.4	S575 K581 I582 V583 M648 I698	S575-T579 WeakPolarHBondContact O-CB 3.47Å; S575-T579 PolarHBondContact O-N 3.24Å; S575-T579 PolarHBondContact O-OG1 2.97Å; S575-T579 VanDerWaalsContact O-OG1 3.1Å; T579-K581 VanDerWaalsContact C-N 3.33Å; T579-K581 PolarHBondContact O-N 3.43Å; T579-I582 PolarHBondContact O-N 3.34Å; T579-V583 HydrophobicContact CG2-CG2 4.3Å; T579-V583 WeakPolarHBondContact O-CB 3.22Å; T579-V583 VanDerWaalsContact O-CG2 3.26Å; T579-V583 WeakPolarHBondContact O-CG2 3.27Å; T579-V583 PolarHBondContact O-N 2.99Å; T579-M648 HydrophobicContact CG2-SD 4.25Å; T579-I698 HydrophobicContact CG2-CB 3.89Å; T579-I698 HydrophobicContact CG2-CD1 4.35Å; T579-I698 HydrophobicContact CG2-CG2 3.72Å
580	R	91.2	Very high	90	Very high	176 Å²	176	64.5 Å²	64.5	66%	0.664	32%	0.316	S	S	*	.	H	α-helix	trans	-58.5	-43.1	176.6	-78.2	175.3	174.9	179.6	-0.9	112.3	L576 I578 Q584	L576-R580 VanDerWaalsContact O-CB 3.24Å; L576-R580 WeakPolarHBondContact O-CB 3.45Å; L576-R580 WeakPolarHBondContact O-CG 3.26Å; L576-R580 PolarHBondContact O-N 3.44Å; I578-R580 PolarHBondContact O-N 2.97Å; R580-Q584 VanDerWaalsContact O-CG 3.26Å; R580-Q584 WeakPolarHBondContact O-CG 3.23Å; R580-Q584 PolarHBondContact O-N 2.94Å
581	K	91.7	Very high	89.5	Confident	134 Å²	134	63.7 Å²	63.7	58%	0.583	31%	0.31	S	S	*	.	H	α-helix	trans	-68.4	-41	-178.8	-173.4	62	176.3	-177.6	0	112	V577 I578 T579 V585	V577-K581 WeakPolarHBondContact O-CB 3.45Å; V577-K581 PolarHBondContact O-N 3.02Å; I578-K581 PolarHBondContact O-N 3.39Å; T579-K581 VanDerWaalsContact C-N 3.33Å; T579-K581 PolarHBondContact O-N 3.43Å; K581-V585 WeakPolarHBondContact O-CG2 3.42Å; K581-V585 PolarHBondContact O-N 2.91Å
582	I	90.6	Very high	89.3	Confident	17 Å²	17	64.1 Å²	64.1	9%	0.087	32%	0.315	C	S	.	.	H	α-helix	trans	-67	-51.1	179	-67.9	171.7	0	0	0	110.4	I578 T579 Q584 V585 S586 V644 M648 L651	I578-I582 HydrophobicContact CG2-CD1 3.72Å; I578-I582 WeakPolarHBondContact O-CG1 3.38Å; I578-I582 PolarHBondContact O-N 3.16Å; T579-I582 PolarHBondContact O-N 3.34Å; I582-Q584 VanDerWaalsContact C-N 3.28Å; I582-Q584 PolarHBondContact O-N 2.66Å; I582-V585 PolarHBondContact O-N 2.98Å; I582-S586 PolarHBondContact O-N 3.36Å; I582-S586 PolarHBondContact O-OG 3.05Å; I582-V644 HydrophobicContact CG2-CG1 4.26Å; I582-V644 WeakPolarHBondContact CG2-O 3.46Å; I582-M648 VanDerWaalsContact CD1-CA 3.5Å; I582-M648 HydrophobicContact CD1-CB 3.9Å; I582-M648 HydrophobicContact CD1-CG 4.36Å; I582-M648 HydrophobicContact CG2-CB 4.23Å; I582-L651 HydrophobicContact CD1-CD1 3.86Å
583	V	88.2	Confident	89	Confident	28 Å²	28	64.6 Å²	64.6	17%	0.17	32%	0.317	C	S	.	.	H	α-helix	trans	-53.1	-45.7	178.5	170.6	0	0	0	0	111.1	T579 V585 Q587 T699	T579-V583 HydrophobicContact CG2-CG2 4.3Å; T579-V583 WeakPolarHBondContact O-CB 3.22Å; T579-V583 VanDerWaalsContact O-CG2 3.26Å; T579-V583 WeakPolarHBondContact O-CG2 3.27Å; T579-V583 PolarHBondContact O-N 2.99Å; V583-V585 PolarHBondContact O-N 2.6Å; V583-Q587 WeakPolarHBondContact O-CB 3.47Å; V583-Q587 PolarHBondContact O-N 3.31Å; V583-T699 HydrophobicContact CG2-CG2 4.43Å; V583-T699 WeakPolarHBondContact CG2-OG1 3.48Å
584	Q	87.7	Confident	88.3	Confident	127 Å²	127	66.4 Å²	66.4	59%	0.593	32%	0.32	S	S	*	.	H	α-helix	trans	-62.8	-23.9	178.6	-74.8	176.4	-1.7	0	0	114.9	R580 I582	R580-Q584 VanDerWaalsContact O-CG 3.26Å; R580-Q584 WeakPolarHBondContact O-CG 3.23Å; R580-Q584 PolarHBondContact O-N 2.94Å; I582-Q584 VanDerWaalsContact C-N 3.28Å; I582-Q584 PolarHBondContact O-N 2.66Å
585	V	89.4	Confident	87.9	Confident	64 Å²	64	66.2 Å²	66.2	39%	0.388	32%	0.319	S	S	.	.	H	α-helix	trans	-91.8	-53.4	177.3	178.8	0	0	0	0	110.2	K581 I582 V583 Q587 K588 V644	K581-V585 WeakPolarHBondContact O-CG2 3.42Å; K581-V585 PolarHBondContact O-N 2.91Å; I582-V585 PolarHBondContact O-N 2.98Å; V583-V585 PolarHBondContact O-N 2.6Å; V585-Q587 VanDerWaalsContact C-N 3.28Å; V585-Q587 PolarHBondContact O-N 2.9Å; V585-K588 PolarHBondContact O-N 2.71Å; V585-V644 HydrophobicContact CB-CG1 4.36Å; V585-V644 HydrophobicContact CG1-CG1 4.1Å
586	S	88.5	Confident	87.7	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.007	32%	0.32	C	S	.	.	H	α-helix	trans	-61.1	-36	-177.7	60.8	0	0	0	0	112.3	I582 K588 D589 F590	I582-S586 PolarHBondContact O-N 3.36Å; I582-S586 PolarHBondContact O-OG 3.05Å; S586-K588 VanDerWaalsContact C-N 3.25Å; S586-K588 PolarHBondContact O-N 2.79Å; S586-D589 PolarHBondContact O-N 2.91Å; S586-D589 VanDerWaalsContact O-N 3.15Å; S586-F590 WeakPolarHBondContact O-CD2 3.44Å; S586-F590 PolarHBondContact O-N 2.7Å
587	Q	83.3	Confident	87.5	Confident	52 Å²	52	66.2 Å²	66.2	24%	0.243	32%	0.319	C	S	.	.	H	α-helix	trans	-59.7	-33.7	-179.6	-170.8	64.3	39.7	0	0	113.2	V583 V585 Q591	V583-Q587 WeakPolarHBondContact O-CB 3.47Å; V583-Q587 PolarHBondContact O-N 3.31Å; V585-Q587 VanDerWaalsContact C-N 3.28Å; V585-Q587 PolarHBondContact O-N 2.9Å; Q587-Q591 PolarHBondContact O-N 2.91Å
588	K	86.9	Confident	86.8	Confident	163 Å²	163	63.7 Å²	63.7	71%	0.709	31%	0.313	S	S	*	.	H	α-helix	trans	-68.6	-43	177.5	-64.4	-176.4	-179.2	-174.9	0	111.3	V585 S586 G592	V585-K588 PolarHBondContact O-N 2.71Å; S586-K588 VanDerWaalsContact C-N 3.25Å; S586-K588 PolarHBondContact O-N 2.79Å; K588-G592 PolarHBondContact O-N 2.99Å
589	D	87.6	Confident	86.3	Confident	28 Å²	28	67.1 Å²	67.1	15%	0.15	33%	0.328	C	S	.	.	H	α-helix	trans	-72.3	-33	176.7	-72.4	-33.1	0	0	0	111.8	S586 G592 M593 R640 A641	S586-D589 PolarHBondContact O-N 2.91Å; S586-D589 VanDerWaalsContact O-N 3.15Å; D589-G592 PolarHBondContact O-N 2.82Å; D589-M593 WeakPolarHBondContact O-CB 3.38Å; D589-M593 PolarHBondContact O-N 2.83Å; D589-R640 HydrophobicContact CB-CB 4.45Å; D589-R640 WeakPolarHBondContact OD2-CB 3.19Å; D589-A641 HydrophobicContact CB-CB 3.82Å
590	F	82.6	Confident	86.2	Confident	67 Å²	67	68.8 Å²	68.8	29%	0.294	34%	0.336	S	S	.	.	H	α-helix	trans	-62.8	-41.4	172.4	-96.7	-71.9	0	0	0	112.3	S586 G592 M593 Q594 A641	S586-F590 WeakPolarHBondContact O-CD2 3.44Å; S586-F590 PolarHBondContact O-N 2.7Å; F590-G592 VanDerWaalsContact C-N 3.34Å; F590-M593 HydrophobicContact CD1-CE 3.64Å; F590-M593 HydrophobicContact CD1-SD 4.48Å; F590-M593 HydrophobicContact CE1-CE 3.83Å; F590-M593 PolarHBondContact O-N 2.83Å; F590-Q594 PolarHBondContact O-N 2.74Å; F590-A641 HydrophobicContact CD1-CB 4.37Å; F590-A641 HydrophobicContact CD2-CB 3.97Å; F590-A641 HydrophobicContact CE2-CB 4.21Å; F590-A641 HydrophobicContact CG-CB 4.04Å; F590-A641 HydrophobicContact CZ-CB 4.49Å
591	Q	81.8	Confident	85.9	Confident	94 Å²	94	64.9 Å²	64.9	44%	0.439	33%	0.328	S	S	.	.	H	α-helix	trans	-63.8	-41.4	173.8	-170.2	64.4	53.4	0	0	111.2	Q587 Q594 N595	Q587-Q591 PolarHBondContact O-N 2.91Å; Q591-Q594 PolarHBondContact O-N 2.8Å; Q591-N595 PolarHBondContact NE2-OD1 2.81Å; Q591-N595 PolarHBondContact O-N 3.35Å; Q591-N595 PolarHBondContact O-OD1 2.82Å; Q591-N595 VanDerWaalsContact O-OD1 3.06Å
592	G	86.1	Confident	85.3	Confident	12 Å²	12	60.2 Å²	60.2	12%	0.124	32%	0.319	C	S	.	.	H	α-helix	trans	-59.8	-45.1	172.7	0	0	0	0	0	112.6	K588 D589 F590 Q594 N595 S596	K588-G592 PolarHBondContact O-N 2.99Å; D589-G592 PolarHBondContact O-N 2.82Å; F590-G592 VanDerWaalsContact C-N 3.34Å; G592-Q594 PolarHBondContact O-N 3.03Å; G592-N595 PolarHBondContact O-N 2.91Å; G592-S596 PolarHBondContact O-N 3.03Å; G592-S596 PolarHBondContact O-OG 2.58Å
593	M	86.8	Confident	85	Confident	39 Å²	39	61.9 Å²	61.9	19%	0.192	32%	0.324	C	S	.	.	H	α-helix	trans	-59.8	-44.6	176.6	-175.9	-169.2	78.5	0	0	112	D589 F590 N595 S596 L597 L634 F637	D589-M593 WeakPolarHBondContact O-CB 3.38Å; D589-M593 PolarHBondContact O-N 2.83Å; F590-M593 HydrophobicContact CD1-CE 3.64Å; F590-M593 HydrophobicContact CD1-SD 4.48Å; F590-M593 HydrophobicContact CE1-CE 3.83Å; F590-M593 PolarHBondContact O-N 2.83Å; M593-N595 VanDerWaalsContact C-N 3.35Å; M593-S596 PolarHBondContact O-N 2.93Å; M593-L597 VanDerWaalsContact O-CB 3.31Å; M593-L597 WeakPolarHBondContact O-CB 3.49Å; M593-L597 PolarHBondContact O-N 2.8Å; M593-L634 HydrophobicContact CG-CD1 3.85Å; M593-L634 WeakPolarHBondContact O-CD1 3.4Å; M593-F637 HydrophobicContact CB-CB 4.12Å
594	Q	77.8	Confident	84.9	Confident	111 Å²	111	63 Å²	63	52%	0.519	33%	0.331	S	S	.	.	H	α-helix	trans	-65.4	-39.2	179	-169.8	63.4	32.1	0	0	111.8	F590 Q591 G592 L597 G598	F590-Q594 PolarHBondContact O-N 2.74Å; Q591-Q594 PolarHBondContact O-N 2.8Å; G592-Q594 PolarHBondContact O-N 3.03Å; Q594-L597 PolarHBondContact O-N 2.82Å; Q594-G598 PolarHBondContact O-N 2.88Å
595	N	84.4	Confident	84.6	Confident	84 Å²	84	63 Å²	63	45%	0.449	33%	0.331	S	S	.	.	H	α-helix	trans	-65.1	-50.3	176.5	-63.1	0.9	0	0	0	110.8	Q591 G592 M593 L597 G598 E599	Q591-N595 PolarHBondContact NE2-OD1 2.81Å; Q591-N595 PolarHBondContact O-N 3.35Å; Q591-N595 PolarHBondContact O-OD1 2.82Å; Q591-N595 VanDerWaalsContact O-OD1 3.06Å; G592-N595 PolarHBondContact O-N 2.91Å; M593-N595 VanDerWaalsContact C-N 3.35Å; N595-L597 VanDerWaalsContact C-N 3.26Å; N595-L597 PolarHBondContact O-N 2.88Å; N595-G598 WeakPolarHBondContact O-CA 3.48Å; N595-G598 PolarHBondContact O-N 3.19Å; N595-G598 VanDerWaalsContact O-N 3.07Å; N595-E599 PolarHBondContact O-N 2.88Å
596	S	87.4	Confident	84.1	Confident	4 Å²	4	63.1 Å²	63.1	3%	0.028	33%	0.327	C	S	.	.	H	α-helix	trans	-65.3	-26.5	177.6	-60	0	0	0	0	113.4	G592 M593 M600	G592-S596 PolarHBondContact O-N 3.03Å; G592-S596 PolarHBondContact O-OG 2.58Å; M593-S596 PolarHBondContact O-N 2.93Å; S596-M600 WeakPolarHBondContact O-CB 3.27Å; S596-M600 PolarHBondContact O-N 2.79Å
597	L	87.4	Confident	83.9	Confident	57 Å²	57	64.6 Å²	64.6	30%	0.298	34%	0.335	S	S	.	.	H	α-helix	trans	-71.9	-39.4	171.1	-177.8	62.9	0	0	0	111.3	M593 Q594 N595 M600 N601 L634	M593-L597 VanDerWaalsContact O-CB 3.31Å; M593-L597 WeakPolarHBondContact O-CB 3.49Å; M593-L597 PolarHBondContact O-N 2.8Å; Q594-L597 PolarHBondContact O-N 2.82Å; N595-L597 VanDerWaalsContact C-N 3.26Å; N595-L597 PolarHBondContact O-N 2.88Å; L597-M600 PolarHBondContact O-N 2.82Å; L597-N601 WeakPolarHBondContact O-CB 3.25Å; L597-N601 PolarHBondContact O-N 3.36Å; L597-L634 HydrophobicContact CB-CD1 3.93Å; L597-L634 HydrophobicContact CD1-CD2 4Å
598	G	79.3	Confident	83.8	Confident	42 Å²	42	68.4 Å²	68.4	43%	0.433	35%	0.354	S	S	.	.	H	α-helix	trans	-60.6	-46.8	171.4	0	0	0	0	0	112	Q594 N595 M600 N601 G602	Q594-G598 PolarHBondContact O-N 2.88Å; N595-G598 WeakPolarHBondContact O-CA 3.48Å; N595-G598 PolarHBondContact O-N 3.19Å; N595-G598 VanDerWaalsContact O-N 3.07Å; G598-M600 PolarHBondContact O-N 2.89Å; G598-N601 PolarHBondContact O-N 2.87Å; G598-G602 PolarHBondContact O-N 2.79Å
599	E	83.8	Confident	83.2	Confident	106 Å²	106	64.2 Å²	64.2	50%	0.495	34%	0.342	S	S	.	.	H	α-helix	trans	-60	-42.4	173.3	-70.8	171.5	-172.9	0	0	112	N595 G602 Y603 V630	N595-E599 PolarHBondContact O-N 2.88Å; E599-G602 PolarHBondContact O-N 3.15Å; E599-Y603 VanDerWaalsContact O-CB 3.26Å; E599-Y603 WeakPolarHBondContact O-CB 3.46Å; E599-Y603 PolarHBondContact O-N 2.77Å; E599-V630 HydrophobicContact CB-CG1 4.04Å
600	M	88.7	Confident	82.6	Confident	39 Å²	39	63.5 Å²	63.5	19%	0.192	34%	0.342	C	S	.	.	H	α-helix	trans	-64.4	-44.6	177	-180	169.8	159	0	0	112.2	S596 L597 G598 Y603 V604 F627 V630 L634	S596-M600 WeakPolarHBondContact O-CB 3.27Å; S596-M600 PolarHBondContact O-N 2.79Å; L597-M600 PolarHBondContact O-N 2.82Å; G598-M600 PolarHBondContact O-N 2.89Å; M600-Y603 PolarHBondContact O-N 2.93Å; M600-V604 WeakPolarHBondContact O-CG2 3.31Å; M600-V604 PolarHBondContact O-N 3.01Å; M600-F627 HydrophobicContact CE-CE2 3.79Å; M600-F627 HydrophobicContact CE-CZ 3.76Å; M600-F627 HydrophobicContact CG-CE2 4.18Å; M600-F627 HydrophobicContact SD-CE2 4.39Å; M600-V630 HydrophobicContact CB-CG1 3.86Å; M600-L634 HydrophobicContact CB-CD2 4.5Å; M600-L634 HydrophobicContact SD-CD2 3.39Å; M600-L634 WeakPolarHBondContact SD-CD2 3.41Å
601	N	83.8	Confident	82.7	Confident	93 Å²	93	65 Å²	65	50%	0.497	35%	0.349	S	S	.	.	H	α-helix	trans	-65.2	-42.9	178.1	-74.7	-10.6	0	0	0	111.2	L597 G598 V604 Q605	L597-N601 WeakPolarHBondContact O-CB 3.25Å; L597-N601 PolarHBondContact O-N 3.36Å; G598-N601 PolarHBondContact O-N 2.87Å; N601-V604 PolarHBondContact O-N 2.92Å; N601-Q605 VanDerWaalsContact O-CB 3.27Å; N601-Q605 WeakPolarHBondContact O-CB 3.42Å; N601-Q605 PolarHBondContact O-N 3.22Å
602	G	78.4	Confident	82.2	Confident	37 Å²	37	64.1 Å²	64.1	38%	0.381	35%	0.353	S	S	.	.	H	α-helix	trans	-58.5	-47.3	172.4	0	0	0	0	0	111.9	G598 E599 V604 Q605 E606	G598-G602 PolarHBondContact O-N 2.79Å; E599-G602 PolarHBondContact O-N 3.15Å; G602-V604 PolarHBondContact O-N 2.84Å; G602-Q605 PolarHBondContact O-N 3.17Å; G602-E606 WeakPolarHBondContact O-CB 3.31Å; G602-E606 PolarHBondContact O-N 3.23Å
603	Y	85.8	Confident	81.7	Confident	52 Å²	52	63.8 Å²	63.8	20%	0.204	35%	0.348	C	S	.	.	H	α-helix	trans	-61.3	-40.6	177.7	-162.5	-92.1	0	0	0	112.5	E599 M600 N607 T623 G626 F627	E599-Y603 VanDerWaalsContact O-CB 3.26Å; E599-Y603 WeakPolarHBondContact O-CB 3.46Å; E599-Y603 PolarHBondContact O-N 2.77Å; M600-Y603 PolarHBondContact O-N 2.93Å; Y603-N607 VanDerWaalsContact CD1-ND2 3.29Å; Y603-N607 WeakPolarHBondContact CD1-ND2 3.47Å; Y603-N607 WeakPolarHBondContact CE1-ND2 3.32Å; Y603-N607 WeakPolarHBondContact O-CB 3.41Å; Y603-N607 PolarHBondContact O-N 3.45Å; Y603-N607 PolarHBondContact O-ND2 2.88Å; Y603-T623 HydrophobicContact CE1-CG2 4.01Å; Y603-T623 WeakPolarHBondContact OH-CA 3.41Å; Y603-T623 PolarHBondContact OH-O 2.82Å; Y603-G626 WeakPolarHBondContact OH-CA 3.39Å; Y603-F627 HydrophobicContact CD1-CB 4.12Å; Y603-F627 HydrophobicContact CD1-CD2 4.16Å; Y603-F627 HydrophobicContact CE1-CB 3.75Å
604	V	86.3	Confident	81.2	Confident	51 Å²	51	62.5 Å²	62.5	31%	0.309	34%	0.342	S	S	.	.	H	α-helix	trans	-69.7	-44.6	176.7	171.8	0	0	0	0	111.1	M600 N601 G602 N607 M608 F627	M600-V604 WeakPolarHBondContact O-CG2 3.31Å; M600-V604 PolarHBondContact O-N 3.01Å; N601-V604 PolarHBondContact O-N 2.92Å; G602-V604 PolarHBondContact O-N 2.84Å; V604-N607 PolarHBondContact O-N 2.74Å; V604-M608 HydrophobicContact CG1-CG 4.22Å; V604-M608 WeakPolarHBondContact O-CB 3.13Å; V604-M608 VanDerWaalsContact O-CG 3.31Å; V604-M608 WeakPolarHBondContact O-CG 3.33Å; V604-M608 PolarHBondContact O-N 2.87Å; V604-F627 HydrophobicContact CG2-CD2 4.19Å; V604-F627 HydrophobicContact CG2-CE2 3.7Å
605	Q	80.8	Confident	81.1	Confident	127 Å²	127	61.2 Å²	61.2	59%	0.593	34%	0.335	S	S	*	.	H	α-helix	trans	-59	-50.2	178.7	-177.9	171.8	-28	0	0	111.1	N601 G602 N607 M608 T609	N601-Q605 VanDerWaalsContact O-CB 3.27Å; N601-Q605 WeakPolarHBondContact O-CB 3.42Å; N601-Q605 PolarHBondContact O-N 3.22Å; G602-Q605 PolarHBondContact O-N 3.17Å; Q605-N607 PolarHBondContact O-N 3.24Å; Q605-M608 PolarHBondContact O-N 3.31Å; Q605-T609 PolarHBondContact O-N 3.44Å; Q605-T609 PolarHBondContact O-OG1 2.87Å
606	E	78.6	Confident	80.3	Confident	66 Å²	66	59.1 Å²	59.1	31%	0.308	32%	0.323	S	S	.	.	H	α-helix	trans	-57.3	-45.3	177.6	-177.7	177.8	-155.8	0	0	112.2	T291 E336 G602 G610	T291-E606 WeakPolarHBondContact CB-OE1 3.37Å; T291-E606 PolarHBondContact OG1-OE1 3.15Å; E336-E606 HydrophobicContact CG-CG 4.4Å; G602-E606 WeakPolarHBondContact O-CB 3.31Å; G602-E606 PolarHBondContact O-N 3.23Å; E606-G610 PolarHBondContact O-N 3.46Å
607	N	83.6	Confident	79.8	Confident	32 Å²	32	61.4 Å²	61.4	17%	0.171	33%	0.332	C	S	.	.	H	α-helix	trans	-74.4	-25.6	-179.6	-75.5	-68.6	0	0	0	113.9	Y603 V604 Q605 F611 T623	Y603-N607 VanDerWaalsContact CD1-ND2 3.29Å; Y603-N607 WeakPolarHBondContact CD1-ND2 3.47Å; Y603-N607 WeakPolarHBondContact CE1-ND2 3.32Å; Y603-N607 WeakPolarHBondContact O-CB 3.41Å; Y603-N607 PolarHBondContact O-N 3.45Å; Y603-N607 PolarHBondContact O-ND2 2.88Å; V604-N607 PolarHBondContact O-N 2.74Å; Q605-N607 PolarHBondContact O-N 3.24Å; N607-F611 VanDerWaalsContact O-CA 3.24Å; N607-F611 WeakPolarHBondContact O-CA 3.41Å; N607-F611 WeakPolarHBondContact O-CB 3.35Å; N607-F611 PolarHBondContact O-N 3.11Å; N607-T623 HydrophobicContact CB-CG2 4.25Å; N607-T623 WeakPolarHBondContact OD1-CG2 3.33Å
608	M	81	Confident	79.3	Confident	132 Å²	132	60.7 Å²	60.7	65%	0.65	34%	0.338	S	S	*	.	H	α-helix	trans	-75.9	-45.5	172.9	-72.7	-63.4	-178	0	0	111	V604 Q605 G610 F611	V604-M608 HydrophobicContact CG1-CG 4.22Å; V604-M608 WeakPolarHBondContact O-CB 3.13Å; V604-M608 VanDerWaalsContact O-CG 3.31Å; V604-M608 WeakPolarHBondContact O-CG 3.33Å; V604-M608 PolarHBondContact O-N 2.87Å; Q605-M608 PolarHBondContact O-N 3.31Å; M608-G610 VanDerWaalsContact C-N 3.26Å; M608-G610 PolarHBondContact O-N 3.19Å; M608-F611 VanDerWaalsContact O-CB 3.3Å; M608-F611 WeakPolarHBondContact O-CB 3.5Å; M608-F611 PolarHBondContact O-N 2.8Å
609	T	74.3	Confident	79.4	Confident	75 Å²	75	62.3 Å²	62.3	46%	0.46	33%	0.331	S	S	.	.	H	α-helix	trans	-58.9	-39.3	172.8	-51.9	0	0	0	0	111.4	Q288 E336 Q605	Q288-T609 PolarHBondContact NE2-O 3.21Å; E336-T609 WeakPolarHBondContact OE1-CB 3.3Å; E336-T609 PolarHBondContact OE1-OG1 3.34Å; E336-T609 VanDerWaalsContact OE1-OG1 3.05Å; Q605-T609 PolarHBondContact O-N 3.44Å; Q605-T609 PolarHBondContact O-OG1 2.87Å
610	G	75.6	Confident	79.5	Confident	14 Å²	14	60 Å²	60	14%	0.144	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	7	178.2	0	0	0	0	0	116.4	E606 M608 S612 V613 L614	E606-G610 PolarHBondContact O-N 3.46Å; M608-G610 VanDerWaalsContact C-N 3.26Å; M608-G610 PolarHBondContact O-N 3.19Å; G610-S612 PolarHBondContact O-N 3.37Å; G610-V613 PolarHBondContact O-N 2.95Å; G610-V613 VanDerWaalsContact O-N 3.07Å; G610-L614 PolarHBondContact O-N 2.85Å
611	F	85.4	Confident	79.3	Confident	99 Å²	99	66.6 Å²	66.6	43%	0.434	35%	0.348	S	S	.	.	H	α-helix	trans	-56.8	-46.9	-165.4	-177.7	-102.3	0	0	0	114.1	N607 M608 V613 L614 K615	N607-F611 VanDerWaalsContact O-CA 3.24Å; N607-F611 WeakPolarHBondContact O-CA 3.41Å; N607-F611 WeakPolarHBondContact O-CB 3.35Å; N607-F611 PolarHBondContact O-N 3.11Å; M608-F611 VanDerWaalsContact O-CB 3.3Å; M608-F611 WeakPolarHBondContact O-CB 3.5Å; M608-F611 PolarHBondContact O-N 2.8Å; F611-V613 PolarHBondContact O-N 3.16Å; F611-L614 WeakPolarHBondContact O-CB 3.46Å; F611-L614 PolarHBondContact O-N 2.96Å; F611-K615 HydrophobicContact CD1-CG 4.41Å; F611-K615 HydrophobicContact CE1-CG 4.05Å; F611-K615 HydrophobicContact CZ-CG 4.18Å; F611-K615 PolarHBondContact O-N 3.35Å
612	S	71.8	Confident	79.3	Confident	75 Å²	75	66.8 Å²	66.8	52%	0.524	35%	0.346	S	S	.	.	H	α-helix	trans	-58.8	-36.6	-180	-53.7	0	0	0	0	112.2	G610 K615 L616	G610-S612 PolarHBondContact O-N 3.37Å; S612-K615 WeakPolarHBondContact O-CB 3.49Å; S612-K615 PolarHBondContact O-N 3.28Å; S612-L616 WeakPolarHBondContact O-CD1 3.4Å; S612-L616 PolarHBondContact O-N 3.35Å
613	V	74.9	Confident	79.6	Confident	4 Å²	4	66.4 Å²	66.4	2%	0.024	34%	0.336	C	S	.	.	H	α-helix	trans	-86.8	-27.3	-175.8	-174.8	0	0	0	0	111.7	Q288 F290 G610 F611 K615 L616 Y617	Q288-V613 HydrophobicContact CB-CG2 3.89Å; Q288-V613 HydrophobicContact CG-CG2 4.28Å; Q288-V613 VanDerWaalsContact OE1-CG2 3.28Å; F290-V613 HydrophobicContact CE2-CG1 3.65Å; F290-V613 HydrophobicContact CZ-CB 4.17Å; F290-V613 HydrophobicContact CZ-CG1 3.62Å; G610-V613 PolarHBondContact O-N 2.95Å; G610-V613 VanDerWaalsContact O-N 3.07Å; F611-V613 PolarHBondContact O-N 3.16Å; V613-K615 VanDerWaalsContact C-N 3.3Å; V613-K615 PolarHBondContact O-N 3.14Å; V613-L616 HydrophobicContact CB-CD1 4.41Å; V613-L616 HydrophobicContact CG2-CD1 3.83Å; V613-L616 PolarHBondContact O-N 3.07Å; V613-Y617 HydrophobicContact CG1-CD2 3.63Å; V613-Y617 HydrophobicContact CG1-CE2 3.45Å; V613-Y617 VanDerWaalsContact CG1-CE2 3.45Å; V613-Y617 VanDerWaalsContact O-CD2 3.23Å; V613-Y617 WeakPolarHBondContact O-CD2 3.34Å; V613-Y617 PolarHBondContact O-N 3.3Å
614	L	76.9	Confident	79.7	Confident	13 Å²	13	69.4 Å²	69.4	7%	0.068	36%	0.355	C	S	.	.	H	α-helix	trans	-59.9	-39	163.1	169.4	148.3	0	0	0	112.1	G610 F611 G618 R619 E620 T623	G610-L614 PolarHBondContact O-N 2.85Å; F611-L614 WeakPolarHBondContact O-CB 3.46Å; F611-L614 PolarHBondContact O-N 2.96Å; L614-G618 PolarHBondContact O-N 2.97Å; L614-G618 VanDerWaalsContact O-N 3.15Å; L614-R619 HydrophobicContact CG-CB 4.47Å; L614-R619 PolarHBondContact O-N 2.83Å; L614-R619 VanDerWaalsContact O-N 3.14Å; L614-E620 HydrophobicContact CD2-CB 4.5Å; L614-E620 HydrophobicContact CD2-CG 3.67Å; L614-T623 HydrophobicContact CD1-CG2 3.69Å; L614-T623 VanDerWaalsContact CD1-OG1 3.23Å; L614-T623 WeakPolarHBondContact CD1-OG1 3.44Å
615	K	74.8	Confident	79.9	Confident	84 Å²	84	69.6 Å²	69.6	37%	0.365	36%	0.362	S	S	.	.	H	α-helix	trans	-69.4	-42.6	172.4	-75.7	-74.1	175.9	-168.6	0	113.7	F611 S612 V613 Y617 G618 E620	F611-K615 HydrophobicContact CD1-CG 4.41Å; F611-K615 HydrophobicContact CE1-CG 4.05Å; F611-K615 HydrophobicContact CZ-CG 4.18Å; F611-K615 PolarHBondContact O-N 3.35Å; S612-K615 WeakPolarHBondContact O-CB 3.49Å; S612-K615 PolarHBondContact O-N 3.28Å; V613-K615 VanDerWaalsContact C-N 3.3Å; V613-K615 PolarHBondContact O-N 3.14Å; K615-Y617 PolarHBondContact O-N 2.88Å; K615-G618 PolarHBondContact O-N 3.49Å; K615-E620 HydrophobicContact CD-CG 4.49Å; K615-E620 WeakPolarHBondContact CD-OE1 3.4Å; K615-E620 IonicContact NZ-OE1 2.65Å; K615-E620 PolarHBondContact NZ-OE1 2.73Å
616	L	68.1	Low	80.2	Confident	39 Å²	39	64.6 Å²	64.6	20%	0.204	34%	0.344	C	S	.	.	H	α-helix	trans	-57.1	-36.3	175.6	-87.8	148.4	0	0	0	112.7	F253 Y282 S612 V613	F253-L616 HydrophobicContact CE2-CD2 4.4Å; F253-L616 HydrophobicContact CZ-CD2 3.65Å; F253-L616 HydrophobicContact CZ-CG 3.86Å; Y282-L616 HydrophobicContact CD1-CD2 4.03Å; Y282-L616 HydrophobicContact CG-CD2 4.16Å; S612-L616 WeakPolarHBondContact O-CD1 3.4Å; S612-L616 PolarHBondContact O-N 3.35Å; V613-L616 HydrophobicContact CB-CD1 4.41Å; V613-L616 HydrophobicContact CG2-CD1 3.83Å; V613-L616 PolarHBondContact O-N 3.07Å
617	Y	75.9	Confident	80.8	Confident	53 Å²	53	64.4 Å²	64.4	21%	0.208	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	2.8	-176.4	-66.3	-65.3	0	0	0	115.5	F290 Y300 R353 V613 K615 R619	F290-Y617 AromaticContact CE2-CD2 3.85Å; F290-Y617 HydrophobicContact CE2-CD2 3.85Å; F290-Y617 HydrophobicContact CE2-CE2 4.21Å; F290-Y617 HydrophobicContact CZ-CD2 4.2Å; Y300-Y617 HydrophobicContact CD1-CD1 4.11Å; Y300-Y617 AromaticContact CD1-CD2 3.7Å; Y300-Y617 HydrophobicContact CD1-CD2 3.7Å; Y300-Y617 HydrophobicContact CD1-CE2 4.3Å; Y300-Y617 AromaticContact CD1-CG 3.62Å; Y300-Y617 HydrophobicContact CD1-CG 3.62Å; Y300-Y617 HydrophobicContact CE1-CD2 4.35Å; Y300-Y617 HydrophobicContact CE1-CG 4.38Å; Y300-Y617 HydrophobicContact CG-CD2 4.38Å; Y300-Y617 HydrophobicContact CG-CG 4.47Å; R353-Y617 WeakPolarHBondContact CD-OH 3.42Å; R353-Y617 PolarHBondContact NE-OH 3.43Å; V613-Y617 HydrophobicContact CG1-CD2 3.63Å; V613-Y617 HydrophobicContact CG1-CE2 3.45Å; V613-Y617 VanDerWaalsContact CG1-CE2 3.45Å; V613-Y617 VanDerWaalsContact O-CD2 3.23Å; V613-Y617 WeakPolarHBondContact O-CD2 3.34Å; V613-Y617 PolarHBondContact O-N 3.3Å; K615-Y617 PolarHBondContact O-N 2.88Å; Y617-R619 PolarHBondContact O-N 3.24Å
618	G	78.6	Confident	81.2	Confident	42 Å²	42	66.1 Å²	66.1	43%	0.433	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	65	33.5	175.3	0	0	0	0	0	114.5	L614 K615 E620	L614-G618 PolarHBondContact O-N 2.97Å; L614-G618 VanDerWaalsContact O-N 3.15Å; K615-G618 PolarHBondContact O-N 3.49Å; G618-E620 VanDerWaalsContact CA-OE2 3.23Å; G618-E620 WeakPolarHBondContact CA-OE2 3.43Å
619	R	80.5	Confident	81.7	Confident	76 Å²	76	66.4 Å²	66.4	29%	0.287	36%	0.355	S	S	.	.			trans	-91	9.7	-174.9	-69.9	-59.8	-163.9	150.9	15.4	114.4	Y300 L614 Y617 K621 E622 T623	Y300-R619 HydrophobicContact CE1-CG 4.12Å; L614-R619 HydrophobicContact CG-CB 4.47Å; L614-R619 PolarHBondContact O-N 2.83Å; L614-R619 VanDerWaalsContact O-N 3.14Å; Y617-R619 PolarHBondContact O-N 3.24Å; R619-K621 PolarHBondContact O-N 3.26Å; R619-K621 VanDerWaalsContact O-N 3.13Å; R619-E622 IonicContact CZ-OE1 2.75Å; R619-E622 IonicContact NH1-OE1 2.68Å; R619-E622 PolarHBondContact NH1-OE1 3.04Å; R619-E622 PolarHBondContact O-N 3.21Å; R619-T623 PolarHBondContact O-N 2.91Å; R619-T623 VanDerWaalsContact O-N 3.1Å
620	E	85.2	Confident	82.5	Confident	57 Å²	57	63.9 Å²	63.9	27%	0.266	34%	0.34	S	S	.	.	H	α-helix	trans	-56.9	-35.9	-173.8	-58.2	105.3	131.3	0	0	112.4	L614 K615 G618 L624	L614-E620 HydrophobicContact CD2-CB 4.5Å; L614-E620 HydrophobicContact CD2-CG 3.67Å; K615-E620 HydrophobicContact CD-CG 4.49Å; K615-E620 WeakPolarHBondContact CD-OE1 3.4Å; K615-E620 IonicContact NZ-OE1 2.65Å; K615-E620 PolarHBondContact NZ-OE1 2.73Å; G618-E620 VanDerWaalsContact CA-OE2 3.23Å; G618-E620 WeakPolarHBondContact CA-OE2 3.43Å; E620-L624 VanDerWaalsContact O-CB 3.28Å; E620-L624 WeakPolarHBondContact O-CB 3.19Å; E620-L624 WeakPolarHBondContact O-CD1 3.42Å; E620-L624 WeakPolarHBondContact O-CG 3.37Å; E620-L624 PolarHBondContact O-N 3.41Å
621	K	85.5	Confident	83.3	Confident	177 Å²	177	66.5 Å²	66.5	77%	0.77	35%	0.35	S	S	*	.	H	α-helix	trans	-69.6	-44.8	-178.3	-67.5	-176.6	-179.8	177.3	0	112.7	R619 L624 A625	R619-K621 PolarHBondContact O-N 3.26Å; R619-K621 VanDerWaalsContact O-N 3.13Å; K621-L624 PolarHBondContact O-N 2.83Å; K621-A625 PolarHBondContact O-N 2.93Å
622	E	82.7	Confident	83.8	Confident	97 Å²	97	66.5 Å²	66.5	45%	0.453	35%	0.351	S	S	.	.	H	α-helix	trans	-67.5	-40.3	177.5	-66	98.1	131.9	0	0	111.9	R619 A625 G626	R619-E622 IonicContact CZ-OE1 2.75Å; R619-E622 IonicContact NH1-OE1 2.68Å; R619-E622 PolarHBondContact NH1-OE1 3.04Å; R619-E622 PolarHBondContact O-N 3.21Å; E622-A625 WeakPolarHBondContact O-CB 3.5Å; E622-A625 PolarHBondContact O-N 2.96Å; E622-G626 PolarHBondContact O-N 3.28Å
623	T	85.2	Confident	84.7	Confident	30 Å²	30	66.4 Å²	66.4	18%	0.184	34%	0.342	C	S	.	.	H	α-helix	trans	-65.3	-41.4	175.2	-67.7	0	0	0	0	112	Y603 N607 L614 R619 A625 G626 F627	Y603-T623 HydrophobicContact CE1-CG2 4.01Å; Y603-T623 WeakPolarHBondContact OH-CA 3.41Å; Y603-T623 PolarHBondContact OH-O 2.82Å; N607-T623 HydrophobicContact CB-CG2 4.25Å; N607-T623 WeakPolarHBondContact OD1-CG2 3.33Å; L614-T623 HydrophobicContact CD1-CG2 3.69Å; L614-T623 VanDerWaalsContact CD1-OG1 3.23Å; L614-T623 WeakPolarHBondContact CD1-OG1 3.44Å; R619-T623 PolarHBondContact O-N 2.91Å; R619-T623 VanDerWaalsContact O-N 3.1Å; T623-A625 VanDerWaalsContact C-N 3.26Å; T623-A625 PolarHBondContact O-N 3.17Å; T623-G626 PolarHBondContact O-N 3.14Å; T623-F627 WeakPolarHBondContact O-CB 3.27Å; T623-F627 PolarHBondContact O-N 3.4Å
624	L	88.3	Confident	85.5	Confident	114 Å²	114	67.5 Å²	67.5	60%	0.597	35%	0.348	S	S	*	.	H	α-helix	trans	-61	-35.4	172.7	-76.4	167.7	0	0	0	112	E620 K621 S628	E620-L624 VanDerWaalsContact O-CB 3.28Å; E620-L624 WeakPolarHBondContact O-CB 3.19Å; E620-L624 WeakPolarHBondContact O-CD1 3.42Å; E620-L624 WeakPolarHBondContact O-CG 3.37Å; E620-L624 PolarHBondContact O-N 3.41Å; K621-L624 PolarHBondContact O-N 2.83Å; L624-S628 VanDerWaalsContact O-CB 3.3Å; L624-S628 WeakPolarHBondContact O-CB 3.17Å; L624-S628 PolarHBondContact O-N 2.8Å
625	A	89.6	Confident	86.3	Confident	55 Å²	55	74.5 Å²	74.5	46%	0.455	37%	0.374	S	S	.	.	H	α-helix	trans	-68.1	-41.6	174.4	0	0	0	0	0	112.4	K621 E622 T623 S628 K629	K621-A625 PolarHBondContact O-N 2.93Å; E622-A625 WeakPolarHBondContact O-CB 3.5Å; E622-A625 PolarHBondContact O-N 2.96Å; T623-A625 VanDerWaalsContact C-N 3.26Å; T623-A625 PolarHBondContact O-N 3.17Å; A625-S628 PolarHBondContact O-N 3.32Å; A625-S628 PolarHBondContact O-OG 2.97Å; A625-K629 PolarHBondContact O-N 3.2Å; A625-K629 VanDerWaalsContact O-N 3.16Å
626	G	88.4	Confident	87.2	Confident	22 Å²	22	77.1 Å²	77.1	23%	0.227	38%	0.381	C	S	.	.	H	α-helix	trans	-62.3	-48.8	173.6	0	0	0	0	0	112.5	Y603 E622 T623 S628 K629 V630	Y603-G626 WeakPolarHBondContact OH-CA 3.39Å; E622-G626 PolarHBondContact O-N 3.28Å; T623-G626 PolarHBondContact O-N 3.14Å; G626-S628 VanDerWaalsContact C-N 3.31Å; G626-S628 PolarHBondContact O-N 3.49Å; G626-K629 WeakPolarHBondContact O-CB 3.41Å; G626-K629 PolarHBondContact O-N 3.02Å; G626-K629 VanDerWaalsContact O-N 3.09Å; G626-V630 PolarHBondContact O-N 3.31Å; G626-V630 VanDerWaalsContact O-N 3.16Å
627	F	90.8	Very high	88.4	Confident	63 Å²	63	78.2 Å²	78.2	28%	0.276	39%	0.385	S	S	.	.	H	α-helix	trans	-56.2	-44	173.4	-178.3	-103.2	0	0	0	111.9	M600 Y603 V604 T623 K629 V630 N631	M600-F627 HydrophobicContact CE-CE2 3.79Å; M600-F627 HydrophobicContact CE-CZ 3.76Å; M600-F627 HydrophobicContact CG-CE2 4.18Å; M600-F627 HydrophobicContact SD-CE2 4.39Å; Y603-F627 HydrophobicContact CD1-CB 4.12Å; Y603-F627 HydrophobicContact CD1-CD2 4.16Å; Y603-F627 HydrophobicContact CE1-CB 3.75Å; V604-F627 HydrophobicContact CG2-CD2 4.19Å; V604-F627 HydrophobicContact CG2-CE2 3.7Å; T623-F627 WeakPolarHBondContact O-CB 3.27Å; T623-F627 PolarHBondContact O-N 3.4Å; F627-K629 PolarHBondContact O-N 3.04Å; F627-V630 PolarHBondContact O-N 2.94Å; F627-N631 HydrophobicContact CE1-CB 4.49Å; F627-N631 WeakPolarHBondContact O-CB 3.24Å; F627-N631 PolarHBondContact O-N 3.18Å
628	S	91.2	Very high	89.1	Confident	68 Å²	68	76.2 Å²	76.2	48%	0.476	38%	0.38	S	S	.	.	H	α-helix	trans	-62.2	-31.1	178.9	80.4	0	0	0	0	113	L624 A625 G626 H632	L624-S628 VanDerWaalsContact O-CB 3.3Å; L624-S628 WeakPolarHBondContact O-CB 3.17Å; L624-S628 PolarHBondContact O-N 2.8Å; A625-S628 PolarHBondContact O-N 3.32Å; A625-S628 PolarHBondContact O-OG 2.97Å; G626-S628 VanDerWaalsContact C-N 3.31Å; G626-S628 PolarHBondContact O-N 3.49Å; S628-H632 VanDerWaalsContact O-CB 3.26Å; S628-H632 WeakPolarHBondContact O-CB 3.48Å; S628-H632 PolarHBondContact O-N 2.96Å
629	K	92	Very high	89.7	Confident	137 Å²	137	80.9 Å²	80.9	60%	0.596	39%	0.389	S	S	*	.	H	α-helix	trans	-71.2	-52.1	176.2	-172.9	-172.7	173.8	-166.7	0	111.3	A625 G626 F627 N631 H632 E633	A625-K629 PolarHBondContact O-N 3.2Å; A625-K629 VanDerWaalsContact O-N 3.16Å; G626-K629 WeakPolarHBondContact O-CB 3.41Å; G626-K629 PolarHBondContact O-N 3.02Å; G626-K629 VanDerWaalsContact O-N 3.09Å; F627-K629 PolarHBondContact O-N 3.04Å; K629-N631 VanDerWaalsContact C-N 3.34Å; K629-N631 PolarHBondContact O-N 3.19Å; K629-H632 WeakPolarHBondContact O-CA 3.44Å; K629-H632 WeakPolarHBondContact O-CB 3.25Å; K629-H632 PolarHBondContact O-N 3.2Å; K629-E633 PolarHBondContact O-N 3.04Å
630	V	91.1	Very high	90.3	Very high	23 Å²	23	83.4 Å²	83.4	14%	0.139	40%	0.398	C	S	.	.	H	α-helix	trans	-61.7	-43.7	179	-177.4	0	0	0	0	110.6	E599 M600 G626 F627 H632 E633 L634	E599-V630 HydrophobicContact CB-CG1 4.04Å; M600-V630 HydrophobicContact CB-CG1 3.86Å; G626-V630 PolarHBondContact O-N 3.31Å; G626-V630 VanDerWaalsContact O-N 3.16Å; F627-V630 PolarHBondContact O-N 2.94Å; V630-H632 VanDerWaalsContact C-N 3.29Å; V630-H632 PolarHBondContact O-N 2.82Å; V630-E633 PolarHBondContact O-N 3.34Å; V630-E633 VanDerWaalsContact O-N 3.17Å; V630-L634 PolarHBondContact O-N 3.42Å
631	N	93.5	Very high	90.4	Very high	68 Å²	68	80.7 Å²	80.7	36%	0.364	39%	0.385	S	S	.	.	H	α-helix	trans	-62	-33.7	173.6	-174.4	26.9	0	0	0	112.4	F627 K629 R635	F627-N631 HydrophobicContact CE1-CB 4.49Å; F627-N631 WeakPolarHBondContact O-CB 3.24Å; F627-N631 PolarHBondContact O-N 3.18Å; K629-N631 VanDerWaalsContact C-N 3.34Å; K629-N631 PolarHBondContact O-N 3.19Å; N631-R635 WeakPolarHBondContact O-CB 3.4Å; N631-R635 PolarHBondContact O-N 3.11Å
632	H	94.5	Very high	90.5	Very high	100 Å²	100	75.1 Å²	75.1	46%	0.463	37%	0.369	S	S	.	.	H	α-helix	trans	-68.3	-37.8	174.6	-168.6	92.2	0	0	0	112.4	S628 K629 V630 R635 R636	S628-H632 VanDerWaalsContact O-CB 3.26Å; S628-H632 WeakPolarHBondContact O-CB 3.48Å; S628-H632 PolarHBondContact O-N 2.96Å; K629-H632 WeakPolarHBondContact O-CA 3.44Å; K629-H632 WeakPolarHBondContact O-CB 3.25Å; K629-H632 PolarHBondContact O-N 3.2Å; V630-H632 VanDerWaalsContact C-N 3.29Å; V630-H632 PolarHBondContact O-N 2.82Å; H632-R635 PolarHBondContact CE1-NH2 3.31Å; H632-R635 VanDerWaalsContact CE1-NH2 3.3Å; H632-R635 PolarHBondContact ND1-NH2 2.91Å; H632-R636 VanDerWaalsContact O-CB 3.28Å; H632-R636 WeakPolarHBondContact O-CB 3.16Å; H632-R636 PolarHBondContact O-N 3.49Å
633	E	92	Very high	90.9	Very high	72 Å²	72	75.8 Å²	75.8	34%	0.336	37%	0.37	S	S	.	.	H	α-helix	trans	-69.2	-46.7	175.4	-67.8	-175.3	-159.1	0	0	111.2	K629 V630 R635 R636 F637	K629-E633 PolarHBondContact O-N 3.04Å; V630-E633 PolarHBondContact O-N 3.34Å; V630-E633 VanDerWaalsContact O-N 3.17Å; E633-R635 VanDerWaalsContact C-N 3.33Å; E633-R635 PolarHBondContact O-N 3.02Å; E633-R636 PolarHBondContact O-N 2.96Å; E633-R636 VanDerWaalsContact O-N 3.08Å; E633-F637 WeakPolarHBondContact O-CD2 3.47Å; E633-F637 PolarHBondContact O-N 3.45Å
634	L	91.8	Very high	91.2	Very high	28 Å²	28	76 Å²	76	15%	0.147	37%	0.372	C	S	.	.	H	α-helix	trans	-55.6	-46	171.2	178.3	60.7	0	0	0	111.6	M593 L597 M600 V630 R636 G638	M593-L634 HydrophobicContact CG-CD1 3.85Å; M593-L634 WeakPolarHBondContact O-CD1 3.4Å; L597-L634 HydrophobicContact CB-CD1 3.93Å; L597-L634 HydrophobicContact CD1-CD2 4Å; M600-L634 HydrophobicContact CB-CD2 4.5Å; M600-L634 HydrophobicContact SD-CD2 3.39Å; M600-L634 WeakPolarHBondContact SD-CD2 3.41Å; V630-L634 PolarHBondContact O-N 3.42Å; L634-R636 VanDerWaalsContact C-N 3.34Å; L634-R636 PolarHBondContact O-N 2.98Å; L634-G638 WeakPolarHBondContact O-CA 3.49Å; L634-G638 PolarHBondContact O-N 2.93Å
635	R	93.1	Very high	91.2	Very high	159 Å²	159	71.8 Å²	71.8	60%	0.6	35%	0.352	S	S	*	.	H	α-helix	trans	-63	-39.1	175.9	-170.3	-176.3	74.8	179.9	5.2	112	N631 H632 E633 F639	N631-R635 WeakPolarHBondContact O-CB 3.4Å; N631-R635 PolarHBondContact O-N 3.11Å; H632-R635 PolarHBondContact CE1-NH2 3.31Å; H632-R635 VanDerWaalsContact CE1-NH2 3.3Å; H632-R635 PolarHBondContact ND1-NH2 2.91Å; E633-R635 VanDerWaalsContact C-N 3.33Å; E633-R635 PolarHBondContact O-N 3.02Å; R635-F639 WeakPolarHBondContact O-CB 3.44Å; R635-F639 PolarHBondContact O-N 3.37Å
636	R	94.4	Very high	91.2	Very high	140 Å²	140	73 Å²	73	53%	0.528	36%	0.357	S	S	.	.	H	α-helix	trans	-69.7	-48.4	-178.7	-177.7	-176.9	177.4	-164.4	0	111.8	H632 E633 L634 R640	H632-R636 VanDerWaalsContact O-CB 3.28Å; H632-R636 WeakPolarHBondContact O-CB 3.16Å; H632-R636 PolarHBondContact O-N 3.49Å; E633-R636 PolarHBondContact O-N 2.96Å; E633-R636 VanDerWaalsContact O-N 3.08Å; L634-R636 VanDerWaalsContact C-N 3.34Å; L634-R636 PolarHBondContact O-N 2.98Å; R636-R640 WeakPolarHBondContact O-CB 3.35Å; R636-R640 WeakPolarHBondContact O-CG 3.31Å; R636-R640 PolarHBondContact O-N 3.1Å
637	F	92.2	Very high	91.3	Very high	62 Å²	62	75.4 Å²	75.4	27%	0.272	36%	0.364	S	S	.	.	H	α-helix	trans	-68.1	-48.6	175.9	-74.8	-64.5	0	0	0	110.8	M593 E633 F639 R640 A641	M593-F637 HydrophobicContact CB-CB 4.12Å; E633-F637 WeakPolarHBondContact O-CD2 3.47Å; E633-F637 PolarHBondContact O-N 3.45Å; F637-F639 PolarHBondContact O-N 3.48Å; F637-R640 PolarHBondContact O-N 3.06Å; F637-A641 VanDerWaalsContact O-CB 3.28Å; F637-A641 WeakPolarHBondContact O-CB 3.08Å; F637-A641 PolarHBondContact O-N 3.07Å
638	G	90.2	Very high	91.2	Very high	11 Å²	11	72.8 Å²	72.8	11%	0.113	35%	0.353	C	S	.	.	H	α-helix	trans	-59.7	-43.4	179.5	0	0	0	0	0	113.6	L634 S642	L634-G638 WeakPolarHBondContact O-CA 3.49Å; L634-G638 PolarHBondContact O-N 2.93Å; G638-S642 WeakPolarHBondContact O-CB 3.28Å; G638-S642 PolarHBondContact O-N 3.21Å; G638-S642 PolarHBondContact O-OG 3.16Å
639	F	91.9	Very high	91.1	Very high	140 Å²	140	72.7 Å²	72.7	61%	0.614	35%	0.345	S	S	*	.	H	α-helix	trans	-64.5	-43.8	174.8	-178.9	-95.8	0	0	0	111.9	R635 F637 F643	R635-F639 WeakPolarHBondContact O-CB 3.44Å; R635-F639 PolarHBondContact O-N 3.37Å; F637-F639 PolarHBondContact O-N 3.48Å; F639-F643 HydrophobicContact CE1-CB 4.36Å; F639-F643 HydrophobicContact CZ-CB 4.47Å; F639-F643 HydrophobicContact CZ-CD2 4.29Å; F639-F643 HydrophobicContact CZ-CG 4.5Å; F639-F643 WeakPolarHBondContact O-CB 3.48Å; F639-F643 PolarHBondContact O-N 3.31Å
640	R	92.4	Very high	91.1	Very high	128 Å²	128	69.6 Å²	69.6	48%	0.483	34%	0.339	S	S	.	.	H	α-helix	trans	-65.6	-48.6	177.9	-76.5	-176	171.6	-162	-5.4	112.2	D589 R636 F637 S642 F643 V644	D589-R640 HydrophobicContact CB-CB 4.45Å; D589-R640 WeakPolarHBondContact OD2-CB 3.19Å; R636-R640 WeakPolarHBondContact O-CB 3.35Å; R636-R640 WeakPolarHBondContact O-CG 3.31Å; R636-R640 PolarHBondContact O-N 3.1Å; F637-R640 PolarHBondContact O-N 3.06Å; R640-S642 PolarHBondContact O-N 2.89Å; R640-F643 PolarHBondContact O-N 3.46Å; R640-V644 WeakPolarHBondContact O-CB 3.21Å; R640-V644 VanDerWaalsContact O-CG2 3.3Å; R640-V644 WeakPolarHBondContact O-CG2 3.37Å; R640-V644 PolarHBondContact O-N 2.76Å
641	A	87.2	Confident	91.2	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-56.3	-51.4	177.4	0	0	0	0	0	110.9	D589 F590 F637 S645	D589-A641 HydrophobicContact CB-CB 3.82Å; F590-A641 HydrophobicContact CD1-CB 4.37Å; F590-A641 HydrophobicContact CD2-CB 3.97Å; F590-A641 HydrophobicContact CE2-CB 4.21Å; F590-A641 HydrophobicContact CG-CB 4.04Å; F590-A641 HydrophobicContact CZ-CB 4.49Å; F637-A641 VanDerWaalsContact O-CB 3.28Å; F637-A641 WeakPolarHBondContact O-CB 3.08Å; F637-A641 PolarHBondContact O-N 3.07Å; A641-S645 WeakPolarHBondContact O-CB 3.36Å; A641-S645 PolarHBondContact O-N 2.76Å
642	S	88.1	Confident	91.1	Very high	60 Å²	60	68.4 Å²	68.4	42%	0.42	33%	0.331	S	S	.	.	H	α-helix	trans	-62.8	-49.6	178.6	-58.4	0	0	0	0	111.6	G638 R640 S645 S646	G638-S642 WeakPolarHBondContact O-CB 3.28Å; G638-S642 PolarHBondContact O-N 3.21Å; G638-S642 PolarHBondContact O-OG 3.16Å; R640-S642 PolarHBondContact O-N 2.89Å; S642-S645 PolarHBondContact O-N 2.9Å; S642-S646 VanDerWaalsContact O-CB 3.27Å; S642-S646 WeakPolarHBondContact O-CB 3.49Å; S642-S646 PolarHBondContact O-N 3.13Å; S642-S646 PolarHBondContact O-OG 3.02Å
643	F	91.8	Very high	91	Very high	111 Å²	111	66.7 Å²	66.7	49%	0.487	32%	0.324	S	S	.	.	H	α-helix	trans	-62.8	-48.6	-177.9	-175.4	-98.3	0	0	0	112.3	F639 R640 S645 S646 L647	F639-F643 HydrophobicContact CE1-CB 4.36Å; F639-F643 HydrophobicContact CZ-CB 4.47Å; F639-F643 HydrophobicContact CZ-CD2 4.29Å; F639-F643 HydrophobicContact CZ-CG 4.5Å; F639-F643 WeakPolarHBondContact O-CB 3.48Å; F639-F643 PolarHBondContact O-N 3.31Å; R640-F643 PolarHBondContact O-N 3.46Å; F643-S645 VanDerWaalsContact C-N 3.35Å; F643-S645 PolarHBondContact O-N 2.99Å; F643-S646 PolarHBondContact O-N 2.92Å; F643-L647 HydrophobicContact CD1-CD1 4.3Å; F643-L647 HydrophobicContact CE1-CD1 3.92Å; F643-L647 HydrophobicContact CE1-CG 4.34Å; F643-L647 WeakPolarHBondContact O-CG 3.36Å; F643-L647 PolarHBondContact O-N 3.13Å; F643-L647 VanDerWaalsContact O-N 3.07Å
644	V	91.2	Very high	91	Very high	36 Å²	36	68.5 Å²	68.5	22%	0.218	34%	0.335	C	S	.	.	H	α-helix	trans	-64.4	-40.5	178.3	175.6	0	0	0	0	111	I582 V585 R640 L647	I582-V644 HydrophobicContact CG2-CG1 4.26Å; I582-V644 WeakPolarHBondContact CG2-O 3.46Å; V585-V644 HydrophobicContact CB-CG1 4.36Å; V585-V644 HydrophobicContact CG1-CG1 4.1Å; R640-V644 WeakPolarHBondContact O-CB 3.21Å; R640-V644 VanDerWaalsContact O-CG2 3.3Å; R640-V644 WeakPolarHBondContact O-CG2 3.37Å; R640-V644 PolarHBondContact O-N 2.76Å; V644-L647 PolarHBondContact O-N 2.96Å
645	S	88.3	Confident	91	Very high	25 Å²	25	67.5 Å²	67.5	18%	0.175	33%	0.33	C	S	.	.	H	α-helix	trans	-66.1	-38.6	175.2	-168.1	0	0	0	0	112.3	A641 S642 F643 L647 M648	A641-S645 WeakPolarHBondContact O-CB 3.36Å; A641-S645 PolarHBondContact O-N 2.76Å; S642-S645 PolarHBondContact O-N 2.9Å; F643-S645 VanDerWaalsContact C-N 3.35Å; F643-S645 PolarHBondContact O-N 2.99Å; S645-L647 VanDerWaalsContact C-N 3.29Å; S645-L647 PolarHBondContact O-N 3.15Å; S645-M648 VanDerWaalsContact O-CB 3.3Å; S645-M648 WeakPolarHBondContact O-CB 3.36Å; S645-M648 PolarHBondContact O-N 3Å
646	S	88.5	Confident	91	Very high	81 Å²	81	60 Å²	60	57%	0.566	30%	0.302	S	S	*	.	H	α-helix	trans	-67.1	-25.6	176.6	-70.8	0	0	0	0	113.2	S642 F643 M648 P650	S642-S646 VanDerWaalsContact O-CB 3.27Å; S642-S646 WeakPolarHBondContact O-CB 3.49Å; S642-S646 PolarHBondContact O-N 3.13Å; S642-S646 PolarHBondContact O-OG 3.02Å; F643-S646 PolarHBondContact O-N 2.92Å; S646-M648 PolarHBondContact O-N 3.08Å; S646-P650 WeakPolarHBondContact O-CD 3.24Å
647	L	91.3	Very high	90.9	Very high	71 Å²	71	58.8 Å²	58.8	37%	0.372	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-17.5	172.6	-71.3	175.8	0	0	0	113.6	F643 V644 S645 P650 L651	F643-L647 HydrophobicContact CD1-CD1 4.3Å; F643-L647 HydrophobicContact CE1-CD1 3.92Å; F643-L647 HydrophobicContact CE1-CG 4.34Å; F643-L647 WeakPolarHBondContact O-CG 3.36Å; F643-L647 PolarHBondContact O-N 3.13Å; F643-L647 VanDerWaalsContact O-N 3.07Å; V644-L647 PolarHBondContact O-N 2.96Å; S645-L647 VanDerWaalsContact C-N 3.29Å; S645-L647 PolarHBondContact O-N 3.15Å; L647-P650 WeakPolarHBondContact O-CD 3.02Å; L647-L651 HydrophobicContact CB-CD1 4.33Å; L647-L651 WeakPolarHBondContact O-CB 3.28Å; L647-L651 VanDerWaalsContact O-CG 3.26Å; L647-L651 WeakPolarHBondContact O-CG 3.38Å; L647-L651 PolarHBondContact O-N 3.01Å; L647-L651 VanDerWaalsContact O-N 3.07Å
648	M	89	Confident	91	Very high	8 Å²	8	58.5 Å²	58.5	4%	0.039	31%	0.307	C	S	.	.	H	α-helix	trans	-60.6	-49.9	177.8	-177.3	-168.7	60.6	0	0	112.1	T579 I582 S645 S646 L651 V652 G696 T699	T579-M648 HydrophobicContact CG2-SD 4.25Å; I582-M648 VanDerWaalsContact CD1-CA 3.5Å; I582-M648 HydrophobicContact CD1-CB 3.9Å; I582-M648 HydrophobicContact CD1-CG 4.36Å; I582-M648 HydrophobicContact CG2-CB 4.23Å; S645-M648 VanDerWaalsContact O-CB 3.3Å; S645-M648 WeakPolarHBondContact O-CB 3.36Å; S645-M648 PolarHBondContact O-N 3Å; S646-M648 PolarHBondContact O-N 3.08Å; M648-L651 PolarHBondContact O-N 3.45Å; M648-V652 HydrophobicContact CG-CG2 4.07Å; M648-V652 WeakPolarHBondContact O-CB 3.02Å; M648-V652 WeakPolarHBondContact O-CG2 3.39Å; M648-V652 PolarHBondContact O-N 3.41Å; M648-G696 WeakPolarHBondContact CE-O 3.34Å; M648-T699 PolarHBondContact SD-OG1 2.98Å
649	Q	89.2	Confident	91.1	Very high	66 Å²	66	58.8 Å²	58.8	31%	0.308	31%	0.306	S	S	.	.	H	α-helix	trans	-60	-51.8	-176.9	-86.7	-75.5	-12.2	0	0	111.6	L651 V652 Q653 G696	Q649-L651 PolarHBondContact O-N 3.18Å; Q649-V652 PolarHBondContact O-N 3.38Å; Q649-Q653 WeakPolarHBondContact O-CB 3.5Å; Q649-Q653 WeakPolarHBondContact O-CG 3.32Å; Q649-Q653 PolarHBondContact O-N 3.35Å; Q649-G696 PolarHBondContact NE2-O 3.33Å
650	P	91.9	Very high	91.1	Very high	72 Å²	72	56.5 Å²	56.5	47%	0.468	30%	0.295	S	S	.	.	H	α-helix	trans	-59	-37.7	173.6	-26.2	35.4	0	0	0	114.5	S646 L647 L654	S646-P650 WeakPolarHBondContact O-CD 3.24Å; L647-P650 WeakPolarHBondContact O-CD 3.02Å; P650-L654 VanDerWaalsContact O-CB 3.25Å; P650-L654 WeakPolarHBondContact O-CB 3.49Å; P650-L654 PolarHBondContact O-N 3.4Å
651	L	92.5	Very high	91.2	Very high	67 Å²	67	55.2 Å²	55.2	35%	0.351	30%	0.296	S	S	.	.	H	α-helix	trans	-75.1	-39	-178.8	-71.2	173.1	0	0	0	112.8	I578 I582 L647 M648 Q649 L654 T655	I578-L651 HydrophobicContact CD1-CB 4.48Å; I578-L651 HydrophobicContact CG2-CB 3.68Å; I578-L651 HydrophobicContact CG2-CD1 4.38Å; I582-L651 HydrophobicContact CD1-CD1 3.86Å; L647-L651 HydrophobicContact CB-CD1 4.33Å; L647-L651 WeakPolarHBondContact O-CB 3.28Å; L647-L651 VanDerWaalsContact O-CG 3.26Å; L647-L651 WeakPolarHBondContact O-CG 3.38Å; L647-L651 PolarHBondContact O-N 3.01Å; L647-L651 VanDerWaalsContact O-N 3.07Å; M648-L651 PolarHBondContact O-N 3.45Å; Q649-L651 PolarHBondContact O-N 3.18Å; L651-L654 WeakPolarHBondContact O-CB 3.49Å; L651-L654 PolarHBondContact O-N 2.89Å; L651-T655 PolarHBondContact O-N 2.84Å
652	V	91.9	Very high	91.4	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-66.3	-45.9	171.9	172.5	0	0	0	0	110	I578 M648 Q649 L654 T655 A656 M695	I578-V652 HydrophobicContact CG2-CG2 4.37Å; M648-V652 HydrophobicContact CG-CG2 4.07Å; M648-V652 WeakPolarHBondContact O-CB 3.02Å; M648-V652 WeakPolarHBondContact O-CG2 3.39Å; M648-V652 PolarHBondContact O-N 3.41Å; Q649-V652 PolarHBondContact O-N 3.38Å; V652-L654 VanDerWaalsContact C-N 3.28Å; V652-L654 PolarHBondContact O-N 3.27Å; V652-T655 PolarHBondContact O-N 3Å; V652-T655 VanDerWaalsContact O-N 3.08Å; V652-T655 PolarHBondContact O-OG1 2.89Å; V652-A656 PolarHBondContact O-N 3.21Å; V652-M695 HydrophobicContact CG1-CB 3.69Å
653	Q	91.4	Very high	91.5	Very high	64 Å²	64	53.8 Å²	53.8	30%	0.299	29%	0.288	S	S	.	.	H	α-helix	trans	-60.8	-34.7	173.9	-72.3	174.4	32.7	0	0	112.2	Q649 T655 A656 Y657	Q649-Q653 WeakPolarHBondContact O-CB 3.5Å; Q649-Q653 WeakPolarHBondContact O-CG 3.32Å; Q649-Q653 PolarHBondContact O-N 3.35Å; Q653-T655 VanDerWaalsContact C-N 3.28Å; Q653-T655 PolarHBondContact O-N 3.33Å; Q653-A656 CarbonylContact O-C 2.91Å; Q653-A656 WeakPolarHBondContact O-CA 3.17Å; Q653-A656 WeakPolarHBondContact O-CB 3.42Å; Q653-A656 PolarHBondContact O-N 2.87Å; Q653-A656 VanDerWaalsContact O-N 3.09Å; Q653-Y657 HydrophobicContact CB-CD2 4.12Å; Q653-Y657 HydrophobicContact CB-CE2 3.99Å; Q653-Y657 WeakPolarHBondContact O-CB 3.37Å; Q653-Y657 WeakPolarHBondContact O-CD2 3.45Å; Q653-Y657 PolarHBondContact O-N 3.06Å
654	L	92.7	Very high	91.4	Very high	109 Å²	109	49.9 Å²	49.9	57%	0.571	28%	0.276	S	S	*	.	H	α-helix	trans	-61.3	-36.9	174.9	-176.9	66.9	0	0	0	111.5	P650 L651 V652 A658	P650-L654 VanDerWaalsContact O-CB 3.25Å; P650-L654 WeakPolarHBondContact O-CB 3.49Å; P650-L654 PolarHBondContact O-N 3.4Å; L651-L654 WeakPolarHBondContact O-CB 3.49Å; L651-L654 PolarHBondContact O-N 2.89Å; V652-L654 VanDerWaalsContact C-N 3.28Å; V652-L654 PolarHBondContact O-N 3.27Å; L654-A658 VanDerWaalsContact O-CB 3.3Å; L654-A658 WeakPolarHBondContact O-CB 3.38Å; L654-A658 PolarHBondContact O-N 3.48Å
655	T	92.3	Very high	91.4	Very high	8 Å²	8	53.4 Å²	53.4	5%	0.049	29%	0.293	C	S	.	.	H	α-helix	trans	-66.4	-39.5	173.1	75.4	0	0	0	0	111.7	M571 L574 S575 I578 L651 V652 Q653 T659	M571-T655 WeakPolarHBondContact CG-OG1 3.42Å; L574-T655 HydrophobicContact CB-CG2 4.36Å; L574-T655 HydrophobicContact CD2-CG2 3.61Å; L574-T655 HydrophobicContact CG-CG2 3.72Å; S575-T655 PolarHBondContact OG-OG1 3.07Å; S575-T655 VanDerWaalsContact OG-OG1 3.12Å; I578-T655 HydrophobicContact CD1-CG2 3.61Å; L651-T655 PolarHBondContact O-N 2.84Å; V652-T655 PolarHBondContact O-N 3Å; V652-T655 VanDerWaalsContact O-N 3.08Å; V652-T655 PolarHBondContact O-OG1 2.89Å; Q653-T655 VanDerWaalsContact C-N 3.28Å; Q653-T655 PolarHBondContact O-N 3.33Å; T655-T659 WeakPolarHBondContact O-CB 3.35Å; T655-T659 PolarHBondContact O-N 2.85Å; T655-T659 PolarHBondContact O-OG1 2.8Å
656	A	91.9	Very high	91.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-66.4	-43.6	175.4	0	0	0	0	0	112.4	M571 V652 Q653 T659 Y660 I688 W689	M571-A656 VanDerWaalsContact SD-CA 3.57Å; M571-A656 HydrophobicContact SD-CB 3.94Å; V652-A656 PolarHBondContact O-N 3.21Å; Q653-A656 CarbonylContact O-C 2.91Å; Q653-A656 WeakPolarHBondContact O-CA 3.17Å; Q653-A656 WeakPolarHBondContact O-CB 3.42Å; Q653-A656 PolarHBondContact O-N 2.87Å; Q653-A656 VanDerWaalsContact O-N 3.09Å; A656-T659 PolarHBondContact O-N 3.35Å; A656-Y660 VanDerWaalsContact O-CB 3.24Å; A656-Y660 WeakPolarHBondContact O-CB 3.25Å; A656-Y660 PolarHBondContact O-N 2.8Å; A656-I688 HydrophobicContact CB-CG2 4.05Å; A656-W689 HydrophobicContact CB-CE3 4.38Å; A656-W689 HydrophobicContact CB-CH2 4.38Å; A656-W689 HydrophobicContact CB-CZ3 3.96Å
657	Y	93.8	Very high	91.7	Very high	116 Å²	116	51.5 Å²	51.5	46%	0.455	27%	0.274	S	S	.	.	H	α-helix	trans	-66	-39.3	175.7	-75.6	-59.6	0	0	0	112.3	Q653 Y660 I661 W689	Q653-Y657 HydrophobicContact CB-CD2 4.12Å; Q653-Y657 HydrophobicContact CB-CE2 3.99Å; Q653-Y657 WeakPolarHBondContact O-CB 3.37Å; Q653-Y657 WeakPolarHBondContact O-CD2 3.45Å; Q653-Y657 PolarHBondContact O-N 3.06Å; Y657-Y660 WeakPolarHBondContact O-CB 3.14Å; Y657-Y660 PolarHBondContact O-N 3.06Å; Y657-I661 VanDerWaalsContact O-CG1 3.27Å; Y657-I661 WeakPolarHBondContact O-CG1 3.48Å; Y657-I661 PolarHBondContact O-N 2.99Å; Y657-W689 AromaticContact CD1-CH2 3.86Å; Y657-W689 HydrophobicContact CD1-CH2 3.86Å; Y657-W689 HydrophobicContact CD1-CZ2 4.18Å; Y657-W689 AromaticContact CE1-CH2 3.49Å; Y657-W689 HydrophobicContact CE1-CH2 3.49Å; Y657-W689 VanDerWaalsContact CE1-CH2 3.49Å; Y657-W689 AromaticContact CE1-CZ2 3.83Å; Y657-W689 HydrophobicContact CE1-CZ2 3.83Å; Y657-W689 HydrophobicContact CE2-CH2 4.2Å; Y657-W689 HydrophobicContact CG-CH2 4.36Å; Y657-W689 AromaticContact CZ-CH2 3.67Å
658	A	93.6	Very high	91.6	Very high	56 Å²	56	50.7 Å²	50.7	46%	0.463	27%	0.274	S	S	.	.	H	α-helix	trans	-64	-42.2	173.6	0	0	0	0	0	111.5	L654 I661 A662	L654-A658 VanDerWaalsContact O-CB 3.3Å; L654-A658 WeakPolarHBondContact O-CB 3.38Å; L654-A658 PolarHBondContact O-N 3.48Å; A658-I661 PolarHBondContact O-N 2.78Å; A658-A662 WeakPolarHBondContact O-CB 3.49Å; A658-A662 PolarHBondContact O-N 3.41Å
659	T	92.5	Very high	91.7	Very high	16 Å²	16	58 Å²	58	10%	0.098	30%	0.301	C	S	.	.	H	α-helix	trans	-66.4	-40	175.5	-53.1	0	0	0	0	111.3	T655 A656 A662 M663 I688	T655-T659 WeakPolarHBondContact O-CB 3.35Å; T655-T659 PolarHBondContact O-N 2.85Å; T655-T659 PolarHBondContact O-OG1 2.8Å; A656-T659 PolarHBondContact O-N 3.35Å; T659-A662 PolarHBondContact O-N 3.26Å; T659-M663 WeakPolarHBondContact O-CB 3.25Å; T659-M663 WeakPolarHBondContact O-CG 3.33Å; T659-M663 PolarHBondContact O-N 2.85Å; T659-I688 HydrophobicContact CG2-CD1 3.84Å; T659-I688 HydrophobicContact CG2-CG1 4Å; T659-I688 HydrophobicContact CG2-CG2 4.47Å
660	Y	92.4	Very high	91.7	Very high	93 Å²	93	56.5 Å²	56.5	37%	0.365	30%	0.295	S	S	.	.	H	α-helix	trans	-60.4	-47.1	173.4	167.9	-95	0	0	0	111.8	A656 Y657 A662 M663 A664 I685	A656-Y660 VanDerWaalsContact O-CB 3.24Å; A656-Y660 WeakPolarHBondContact O-CB 3.25Å; A656-Y660 PolarHBondContact O-N 2.8Å; Y657-Y660 WeakPolarHBondContact O-CB 3.14Å; Y657-Y660 PolarHBondContact O-N 3.06Å; Y660-A662 PolarHBondContact O-N 2.93Å; Y660-M663 CarbonylContact O-C 3.24Å; Y660-M663 PolarHBondContact O-N 3.12Å; Y660-A664 VanDerWaalsContact O-CB 3.29Å; Y660-A664 WeakPolarHBondContact O-CB 3.06Å; Y660-A664 PolarHBondContact O-N 3.18Å; Y660-I685 HydrophobicContact CD2-CB 4.46Å; Y660-I685 HydrophobicContact CD2-CD1 4.32Å; Y660-I685 HydrophobicContact CD2-CG1 3.92Å; Y660-I685 HydrophobicContact CD2-CG2 3.83Å; Y660-I685 HydrophobicContact CE2-CD1 3.84Å; Y660-I685 HydrophobicContact CE2-CG1 3.95Å; Y660-I685 HydrophobicContact CE2-CG2 3.83Å
661	I	92.9	Very high	91.5	Very high	100 Å²	100	54.9 Å²	54.9	51%	0.513	28%	0.284	S	S	.	.	H	α-helix	trans	-61.6	-45.3	176.5	-68.5	163.1	0	0	0	110.2	Y657 A658 M663 A664 I665	Y657-I661 VanDerWaalsContact O-CG1 3.27Å; Y657-I661 WeakPolarHBondContact O-CG1 3.48Å; Y657-I661 PolarHBondContact O-N 2.99Å; A658-I661 PolarHBondContact O-N 2.78Å; I661-M663 PolarHBondContact O-N 3.29Å; I661-A664 PolarHBondContact O-N 3.49Å; I661-I665 HydrophobicContact CG2-CD1 3.97Å; I661-I665 WeakPolarHBondContact O-CG1 3.43Å; I661-I665 PolarHBondContact O-N 3.2Å
662	A	92.1	Very high	91.2	Very high	31 Å²	31	58.5 Å²	58.5	26%	0.256	30%	0.302	S	S	.	.	H	α-helix	trans	-60.5	-43.3	176.5	0	0	0	0	0	112.1	A658 T659 Y660 I665 L666	A658-A662 WeakPolarHBondContact O-CB 3.49Å; A658-A662 PolarHBondContact O-N 3.41Å; T659-A662 PolarHBondContact O-N 3.26Å; Y660-A662 PolarHBondContact O-N 2.93Å; A662-I665 PolarHBondContact O-N 3.01Å; A662-L666 VanDerWaalsContact O-CB 3.31Å; A662-L666 WeakPolarHBondContact O-CB 3.35Å; A662-L666 VanDerWaalsContact O-CG 3.32Å; A662-L666 WeakPolarHBondContact O-CG 3.5Å; A662-L666 PolarHBondContact O-N 3.46Å
663	M	90.3	Very high	91	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-73.1	-30.5	176.7	-69.5	-48	105.7	0	0	112.9	M564 I567 T659 Y660 I661 L666 G667 L681 F684 I688	M564-M663 HydrophobicContact CB-SD 3.62Å; M564-M663 HydrophobicContact CG-SD 3.92Å; M564-M663 HydrophobicContact SD-SD 4.04Å; I567-M663 HydrophobicContact CB-CE 3.96Å; I567-M663 HydrophobicContact CG2-CE 3.66Å; T659-M663 WeakPolarHBondContact O-CB 3.25Å; T659-M663 WeakPolarHBondContact O-CG 3.33Å; T659-M663 PolarHBondContact O-N 2.85Å; Y660-M663 CarbonylContact O-C 3.24Å; Y660-M663 PolarHBondContact O-N 3.12Å; I661-M663 PolarHBondContact O-N 3.29Å; M663-L666 HydrophobicContact CE-CD1 3.99Å; M663-G667 WeakPolarHBondContact O-CA 3.38Å; M663-G667 PolarHBondContact O-N 2.77Å; M663-L681 WeakPolarHBondContact O-CD1 3.22Å; M663-F684 HydrophobicContact SD-CD1 4.46Å; M663-I688 HydrophobicContact CB-CD1 4.08Å; M663-I688 HydrophobicContact CG-CD1 3.75Å
664	A	89.2	Confident	90.4	Very high	28 Å²	28	64.3 Å²	64.3	23%	0.231	35%	0.347	C	S	.	.	H	α-helix	trans	-65.3	-41.5	173.3	0	0	0	0	0	110.8	Y660 I661 S668	Y660-A664 VanDerWaalsContact O-CB 3.29Å; Y660-A664 WeakPolarHBondContact O-CB 3.06Å; Y660-A664 PolarHBondContact O-N 3.18Å; I661-A664 PolarHBondContact O-N 3.49Å; A664-S668 WeakPolarHBondContact O-CB 3.36Å; A664-S668 PolarHBondContact O-N 3.26Å; A664-S668 PolarHBondContact O-OG 2.94Å
665	I	92.2	Very high	89.9	Confident	111 Å²	111	63.2 Å²	63.2	57%	0.569	34%	0.344	S	S	*	.	H	α-helix	trans	-70.1	-58.6	176.3	-63.1	167.4	0	0	0	110.9	I661 A662 G667 S668 W669	I661-I665 HydrophobicContact CG2-CD1 3.97Å; I661-I665 WeakPolarHBondContact O-CG1 3.43Å; I661-I665 PolarHBondContact O-N 3.2Å; A662-I665 PolarHBondContact O-N 3.01Å; I665-G667 PolarHBondContact O-N 2.87Å; I665-S668 PolarHBondContact O-N 2.77Å; I665-W669 WeakPolarHBondContact O-CB 3.38Å; I665-W669 PolarHBondContact O-N 3.04Å
666	L	91.2	Very high	89.7	Confident	65 Å²	65	63.1 Å²	63.1	34%	0.34	34%	0.343	S	S	.	.	H	α-helix	trans	-66.9	-37.9	-176.6	-67.5	172.5	0	0	0	112.1	I567 A662 M663 W669 N670	I567-L666 HydrophobicContact CD1-CD1 3.66Å; A662-L666 VanDerWaalsContact O-CB 3.31Å; A662-L666 WeakPolarHBondContact O-CB 3.35Å; A662-L666 VanDerWaalsContact O-CG 3.32Å; A662-L666 WeakPolarHBondContact O-CG 3.5Å; A662-L666 PolarHBondContact O-N 3.46Å; M663-L666 HydrophobicContact CE-CD1 3.99Å; L666-W669 WeakPolarHBondContact O-CB 3.35Å; L666-N670 VanDerWaalsContact O-CB 3.32Å; L666-N670 WeakPolarHBondContact O-CB 3.32Å; L666-N670 PolarHBondContact O-N 3.02Å; L666-N670 PolarHBondContact O-ND2 3.23Å
667	G	90.4	Very high	89.5	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-67.3	-47	175.7	0	0	0	0	0	112	M663 I665 W669 N670 V671	M663-G667 WeakPolarHBondContact O-CA 3.38Å; M663-G667 PolarHBondContact O-N 2.77Å; I665-G667 PolarHBondContact O-N 2.87Å; G667-W669 VanDerWaalsContact C-N 3.31Å; G667-W669 PolarHBondContact O-N 2.78Å; G667-N670 CarbonylContact O-C 3.56Å; G667-N670 PolarHBondContact O-N 3Å; G667-N670 VanDerWaalsContact O-N 3.13Å; G667-V671 VanDerWaalsContact O-CG2 3.29Å; G667-V671 WeakPolarHBondContact O-CG2 3.38Å; G667-V671 PolarHBondContact O-N 2.69Å
668	S	90.1	Very high	89	Confident	55 Å²	55	65.1 Å²	65.1	39%	0.385	36%	0.363	S	S	.	.	H	α-helix	trans	-64.1	-37.6	175.6	-60.6	0	0	0	0	111.8	A664 I665 V671 I672	A664-S668 WeakPolarHBondContact O-CB 3.36Å; A664-S668 PolarHBondContact O-N 3.26Å; A664-S668 PolarHBondContact O-OG 2.94Å; I665-S668 PolarHBondContact O-N 2.77Å; S668-V671 PolarHBondContact O-N 3.11Å; S668-I672 WeakPolarHBondContact O-CD1 3.4Å; S668-I672 VanDerWaalsContact O-CG1 3.24Å; S668-I672 WeakPolarHBondContact O-CG1 3.29Å; S668-I672 PolarHBondContact O-N 3.08Å
669	W	91.3	Very high	88.6	Confident	161 Å²	161	64.7 Å²	64.7	61%	0.61	36%	0.364	S	S	*	.	H	α-helix	trans	-56.4	-50.8	169.9	-174.7	-58.3	0	0	0	110.9	I665 L666 G667 V671 I672 H673	I665-W669 WeakPolarHBondContact O-CB 3.38Å; I665-W669 PolarHBondContact O-N 3.04Å; L666-W669 WeakPolarHBondContact O-CB 3.35Å; G667-W669 VanDerWaalsContact C-N 3.31Å; G667-W669 PolarHBondContact O-N 2.78Å; W669-V671 VanDerWaalsContact C-N 3.34Å; W669-V671 PolarHBondContact O-N 3.31Å; W669-I672 PolarHBondContact O-N 3.45Å; W669-H673 AromaticContact CD1-CE1 3.49Å; W669-H673 VanDerWaalsContact CD1-CE1 3.49Å; W669-H673 AromaticContact CD1-ND1 3.27Å; W669-H673 VanDerWaalsContact CD1-ND1 3.27Å; W669-H673 AromaticContact CE2-CE1 3.75Å; W669-H673 AromaticContact NE1-CE1 3.12Å; W669-H673 PolarHBondContact NE1-CE1 2.76Å; W669-H673 AromaticContact NE1-ND1 3.39Å; W669-H673 PolarHBondContact NE1-ND1 2.94Å; W669-H673 AromaticContact NE1-NE2 3.73Å; W669-H673 PolarHBondContact O-N 3.36Å; W669-H673 VanDerWaalsContact O-N 3.07Å; W669-H673 PolarHBondContact O-ND1 3.19Å
670	N	88.8	Confident	88.4	Confident	34 Å²	34	67 Å²	67	18%	0.182	37%	0.373	C	S	.	.	H	α-helix	trans	-64.9	-33.1	179	-76.6	-25.3	0	0	0	113.1	L666 G667 G674 V675 I676	L666-N670 VanDerWaalsContact O-CB 3.32Å; L666-N670 WeakPolarHBondContact O-CB 3.32Å; L666-N670 PolarHBondContact O-N 3.02Å; L666-N670 PolarHBondContact O-ND2 3.23Å; G667-N670 CarbonylContact O-C 3.56Å; G667-N670 PolarHBondContact O-N 3Å; G667-N670 VanDerWaalsContact O-N 3.13Å; N670-G674 PolarHBondContact O-N 3.36Å; N670-G674 VanDerWaalsContact O-N 3.14Å; N670-V675 HydrophobicContact CB-CB 4.04Å; N670-V675 WeakPolarHBondContact O-CB 3.45Å; N670-V675 PolarHBondContact O-N 3.15Å; N670-I676 HydrophobicContact CB-CD1 3.96Å; N670-I676 HydrophobicContact CB-CG1 3.91Å; N670-I676 PolarHBondContact O-N 3.04Å
671	V	87.6	Confident	88.3	Confident	39 Å²	39	63.3 Å²	63.3	24%	0.236	36%	0.36	C	S	.	.	H	α-helix	trans	-66.8	-46.9	173.2	168.7	0	0	0	0	110.9	G667 S668 W669 H673 G674 I676 V678 L681	G667-V671 VanDerWaalsContact O-CG2 3.29Å; G667-V671 WeakPolarHBondContact O-CG2 3.38Å; G667-V671 PolarHBondContact O-N 2.69Å; S668-V671 PolarHBondContact O-N 3.11Å; W669-V671 VanDerWaalsContact C-N 3.34Å; W669-V671 PolarHBondContact O-N 3.31Å; V671-H673 PolarHBondContact O-N 3.14Å; V671-G674 PolarHBondContact O-N 3.4Å; V671-I676 WeakPolarHBondContact CA-O 3.47Å; V671-I676 HydrophobicContact CG2-CD1 4.17Å; V671-I676 HydrophobicContact CG2-CG1 3.66Å; V671-V678 HydrophobicContact CG1-CG2 3.73Å; V671-L681 HydrophobicContact CG2-CB 4.27Å; V671-L681 HydrophobicContact CG2-CD2 4.21Å
672	I	87.1	Confident	88.1	Confident	142 Å²	142	60 Å²	60	73%	0.728	34%	0.342	S	S	*	.	H	α-helix	trans	-60.5	-36.7	177.8	-68.2	162.2	0	0	0	110.9	S668 W669 G674	S668-I672 WeakPolarHBondContact O-CD1 3.4Å; S668-I672 VanDerWaalsContact O-CG1 3.24Å; S668-I672 WeakPolarHBondContact O-CG1 3.29Å; S668-I672 PolarHBondContact O-N 3.08Å; W669-I672 PolarHBondContact O-N 3.45Å; I672-G674 VanDerWaalsContact C-N 3.29Å; I672-G674 PolarHBondContact O-N 3.34Å
673	H	86.6	Confident	88	Confident	123 Å²	123	59.5 Å²	59.5	57%	0.569	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	1.2	175.8	-68.2	77.4	0	0	0	113.9	W669 V671 V675	W669-H673 AromaticContact CD1-CE1 3.49Å; W669-H673 VanDerWaalsContact CD1-CE1 3.49Å; W669-H673 AromaticContact CD1-ND1 3.27Å; W669-H673 VanDerWaalsContact CD1-ND1 3.27Å; W669-H673 AromaticContact CE2-CE1 3.75Å; W669-H673 AromaticContact NE1-CE1 3.12Å; W669-H673 PolarHBondContact NE1-CE1 2.76Å; W669-H673 AromaticContact NE1-ND1 3.39Å; W669-H673 PolarHBondContact NE1-ND1 2.94Å; W669-H673 AromaticContact NE1-NE2 3.73Å; W669-H673 PolarHBondContact O-N 3.36Å; W669-H673 VanDerWaalsContact O-N 3.07Å; W669-H673 PolarHBondContact O-ND1 3.19Å; V671-H673 PolarHBondContact O-N 3.14Å; H673-V675 HydrophobicContact CB-CG2 4.09Å; H673-V675 PolarHBondContact O-N 3.03Å
674	G	79.5	Confident	88	Confident	64 Å²	64	59.5 Å²	59.5	66%	0.66	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	13.8	179.4	0	0	0	0	0	115.5	N670 V671 I672	N670-G674 PolarHBondContact O-N 3.36Å; N670-G674 VanDerWaalsContact O-N 3.14Å; V671-G674 PolarHBondContact O-N 3.4Å; I672-G674 VanDerWaalsContact C-N 3.29Å; I672-G674 PolarHBondContact O-N 3.34Å
675	V	83	Confident	88.1	Confident	85 Å²	85	59.1 Å²	59.1	52%	0.515	33%	0.332	S	S	.	.	S	Bend	trans	-70.9	-35.8	178.2	-179.1	0	0	0	0	111.2	N670 H673	N670-V675 HydrophobicContact CB-CB 4.04Å; N670-V675 WeakPolarHBondContact O-CB 3.45Å; N670-V675 PolarHBondContact O-N 3.15Å; H673-V675 HydrophobicContact CB-CG2 4.09Å; H673-V675 PolarHBondContact O-N 3.03Å
676	I	87.8	Confident	88	Confident	6 Å²	6	58.5 Å²	58.5	3%	0.031	33%	0.327	C	S	.	.	S	Bend	trans	-135.3	155.7	175.8	70.1	-178.2	0	0	0	110.6	M564 N670 V671 Q680 L681	M564-I676 HydrophobicContact CE-CD1 3.55Å; M564-I676 HydrophobicContact CE-CG2 4.36Å; M564-I676 HydrophobicContact SD-CD1 4.23Å; N670-I676 HydrophobicContact CB-CD1 3.96Å; N670-I676 HydrophobicContact CB-CG1 3.91Å; N670-I676 PolarHBondContact O-N 3.04Å; V671-I676 WeakPolarHBondContact CA-O 3.47Å; V671-I676 HydrophobicContact CG2-CD1 4.17Å; V671-I676 HydrophobicContact CG2-CG1 3.66Å; I676-Q680 VanDerWaalsContact CA-OE1 3.27Å; I676-Q680 HydrophobicContact CB-CB 4.16Å; I676-L681 HydrophobicContact CD1-CB 4.18Å
677	L	87	Confident	88	Confident	109 Å²	109	58 Å²	58	57%	0.571	32%	0.32	S	S	*	.			trans	-81.1	155.1	172.2	-62.4	169.1	0	0	0	111.1	G679 Q680 L681	L677-G679 PolarHBondContact O-N 3.31Å; L677-Q680 HydrophobicContact CB-CB 4.47Å; L677-Q680 HydrophobicContact CB-CG 4.29Å; L677-Q680 WeakPolarHBondContact O-CA 3.3Å; L677-Q680 WeakPolarHBondContact O-CB 3.43Å; L677-Q680 PolarHBondContact O-N 3.23Å; L677-L681 PolarHBondContact O-N 2.93Å; L677-L681 VanDerWaalsContact O-N 3.08Å
678	V	84	Confident	88.1	Confident	50 Å²	50	58 Å²	58	30%	0.303	32%	0.32	S	S	.	.	H	α-helix	trans	-54.2	-39	172.9	-178.6	0	0	0	0	111.3	V671 Q680 L681 Q682	V671-V678 HydrophobicContact CG1-CG2 3.73Å; V678-Q680 VanDerWaalsContact C-N 3.32Å; V678-Q680 PolarHBondContact O-N 3.3Å; V678-L681 WeakPolarHBondContact O-CB 3.31Å; V678-L681 PolarHBondContact O-N 2.81Å; V678-Q682 PolarHBondContact O-N 3.13Å
679	G	84.2	Confident	88.1	Confident	46 Å²	46	59 Å²	59	47%	0.474	32%	0.316	S	S	.	.	H	α-helix	trans	-65.7	-29.7	174.8	0	0	0	0	0	114.2	L677 Q682 A683	L677-G679 PolarHBondContact O-N 3.31Å; G679-Q682 PolarHBondContact O-N 3.21Å; G679-A683 WeakPolarHBondContact O-CB 3.42Å; G679-A683 PolarHBondContact O-N 3.09Å
680	Q	89.6	Confident	88	Confident	64 Å²	64	55.9 Å²	55.9	30%	0.299	31%	0.308	S	S	.	.	H	α-helix	trans	-74.5	-34.6	174.2	-75.7	174.1	-39.3	0	0	111.8	I560 I676 L677 V678 A683 F684	I560-Q680 HydrophobicContact CG2-CB 3.78Å; I560-Q680 HydrophobicContact CG2-CG 4.02Å; I676-Q680 VanDerWaalsContact CA-OE1 3.27Å; I676-Q680 HydrophobicContact CB-CB 4.16Å; L677-Q680 HydrophobicContact CB-CB 4.47Å; L677-Q680 HydrophobicContact CB-CG 4.29Å; L677-Q680 WeakPolarHBondContact O-CA 3.3Å; L677-Q680 WeakPolarHBondContact O-CB 3.43Å; L677-Q680 PolarHBondContact O-N 3.23Å; V678-Q680 VanDerWaalsContact C-N 3.32Å; V678-Q680 PolarHBondContact O-N 3.3Å; Q680-A683 PolarHBondContact O-N 2.99Å; Q680-F684 PolarHBondContact O-N 3.12Å
681	L	90.4	Very high	88.1	Confident	17 Å²	17	54.4 Å²	54.4	9%	0.089	30%	0.3	C	S	.	.	H	α-helix	trans	-62.6	-45.4	169.1	176.6	52.6	0	0	0	111.1	M663 V671 I676 L677 V678 A683 F684 I685	M663-L681 WeakPolarHBondContact O-CD1 3.22Å; V671-L681 HydrophobicContact CG2-CB 4.27Å; V671-L681 HydrophobicContact CG2-CD2 4.21Å; I676-L681 HydrophobicContact CD1-CB 4.18Å; L677-L681 PolarHBondContact O-N 2.93Å; L677-L681 VanDerWaalsContact O-N 3.08Å; V678-L681 WeakPolarHBondContact O-CB 3.31Å; V678-L681 PolarHBondContact O-N 2.81Å; L681-A683 PolarHBondContact O-N 3.5Å; L681-F684 WeakPolarHBondContact O-CB 3.23Å; L681-F684 PolarHBondContact O-N 2.77Å; L681-I685 HydrophobicContact CD1-CD1 4.25Å; L681-I685 HydrophobicContact CD1-CG1 4.48Å; L681-I685 HydrophobicContact CG-CD1 4.2Å; L681-I685 WeakPolarHBondContact O-CG1 3.4Å; L681-I685 PolarHBondContact O-N 2.77Å
682	Q	88.2	Confident	88.1	Confident	30 Å²	30	52.9 Å²	52.9	14%	0.14	29%	0.291	C	S	.	.	H	α-helix	trans	-61.8	-41	175.7	-176.3	64.3	5.2	0	0	112.3	I143 V678 G679 F684 I685 Q686	I143-Q682 HydrophobicContact CD1-CB 4.47Å; I143-Q682 HydrophobicContact CD1-CG 4.48Å; I143-Q682 HydrophobicContact CG2-CG 3.8Å; V678-Q682 PolarHBondContact O-N 3.13Å; G679-Q682 PolarHBondContact O-N 3.21Å; Q682-F684 VanDerWaalsContact C-N 3.34Å; Q682-F684 PolarHBondContact O-N 2.96Å; Q682-I685 PolarHBondContact O-N 3.04Å; Q682-Q686 WeakPolarHBondContact O-CG 3.45Å; Q682-Q686 PolarHBondContact O-N 3.17Å
683	A	89.6	Confident	88	Confident	20 Å²	20	51.5 Å²	51.5	17%	0.165	28%	0.282	C	S	.	.	H	α-helix	trans	-60.7	-42.2	173.7	0	0	0	0	0	111.8	I560 G679 Q680 L681 I685 Q686 Y687	I560-A683 HydrophobicContact CD1-CB 3.93Å; G679-A683 WeakPolarHBondContact O-CB 3.42Å; G679-A683 PolarHBondContact O-N 3.09Å; Q680-A683 PolarHBondContact O-N 2.99Å; L681-A683 PolarHBondContact O-N 3.5Å; A683-I685 PolarHBondContact O-N 3.05Å; A683-Q686 PolarHBondContact O-N 3.33Å; A683-Y687 HydrophobicContact CB-CE2 4.13Å; A683-Y687 WeakPolarHBondContact O-CD2 3.18Å; A683-Y687 PolarHBondContact O-N 3.38Å
684	F	91	Very high	88	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.6	-44.6	173.4	-113	-79.7	0	0	0	112.4	M557 I560 N561 M564 A565 M663 Q680 L681 Q682 Y687 I688	M557-F684 HydrophobicContact CB-CE1 3.75Å; M557-F684 HydrophobicContact CB-CZ 3.74Å; M557-F684 HydrophobicContact CE-CD1 4.46Å; M557-F684 HydrophobicContact CG-CD1 4.01Å; M557-F684 HydrophobicContact CG-CE1 3.6Å; M557-F684 HydrophobicContact CG-CZ 4.06Å; M557-F684 WeakPolarHBondContact O-CZ 3.38Å; M557-F684 HydrophobicContact SD-CD1 4.36Å; M557-F684 HydrophobicContact SD-CE1 3.95Å; I560-F684 HydrophobicContact CB-CD2 4.18Å; I560-F684 HydrophobicContact CB-CE2 3.77Å; I560-F684 HydrophobicContact CG2-CD2 3.82Å; I560-F684 HydrophobicContact CG2-CE2 3.7Å; N561-F684 HydrophobicContact CB-CE2 3.93Å; N561-F684 HydrophobicContact CB-CZ 4.31Å; M564-F684 HydrophobicContact CB-CE1 3.85Å; M564-F684 HydrophobicContact CB-CE2 4.21Å; M564-F684 HydrophobicContact CB-CZ 3.66Å; M564-F684 HydrophobicContact CE-CD2 3.64Å; M564-F684 HydrophobicContact CE-CE2 3.61Å; M564-F684 HydrophobicContact CE-CG 4.23Å; M564-F684 HydrophobicContact CE-CZ 4.18Å; A565-F684 HydrophobicContact CB-CZ 4.26Å; M663-F684 HydrophobicContact SD-CD1 4.46Å; Q680-F684 PolarHBondContact O-N 3.12Å; L681-F684 WeakPolarHBondContact O-CB 3.23Å; L681-F684 PolarHBondContact O-N 2.77Å; Q682-F684 VanDerWaalsContact C-N 3.34Å; Q682-F684 PolarHBondContact O-N 2.96Å; F684-Y687 PolarHBondContact O-N 2.89Å; F684-I688 WeakPolarHBondContact O-CG1 3.37Å; F684-I688 PolarHBondContact O-N 3.48Å
685	I	89.7	Confident	88.1	Confident	21 Å²	21	43.7 Å²	43.7	11%	0.108	23%	0.23	C	C	.	.	H	α-helix	trans	-60.2	-46.4	176.4	-68.8	162.5	0	0	0	110.7	Y660 L681 Q682 A683 Y687 I688 W689	Y660-I685 HydrophobicContact CD2-CB 4.46Å; Y660-I685 HydrophobicContact CD2-CD1 4.32Å; Y660-I685 HydrophobicContact CD2-CG1 3.92Å; Y660-I685 HydrophobicContact CD2-CG2 3.83Å; Y660-I685 HydrophobicContact CE2-CD1 3.84Å; Y660-I685 HydrophobicContact CE2-CG1 3.95Å; Y660-I685 HydrophobicContact CE2-CG2 3.83Å; L681-I685 HydrophobicContact CD1-CD1 4.25Å; L681-I685 HydrophobicContact CD1-CG1 4.48Å; L681-I685 HydrophobicContact CG-CD1 4.2Å; L681-I685 WeakPolarHBondContact O-CG1 3.4Å; L681-I685 PolarHBondContact O-N 2.77Å; Q682-I685 PolarHBondContact O-N 3.04Å; A683-I685 PolarHBondContact O-N 3.05Å; I685-Y687 VanDerWaalsContact C-N 3.33Å; I685-Y687 PolarHBondContact O-N 3.48Å; I685-I688 WeakPolarHBondContact O-CB 3.32Å; I685-I688 PolarHBondContact O-N 2.95Å; I685-W689 PolarHBondContact O-N 3.24Å
686	Q	90.2	Very high	87.9	Confident	97 Å²	97	39.7 Å²	39.7	45%	0.453	21%	0.206	S	C	.	.	H	α-helix	trans	-61.8	-39.6	175.7	-71.3	178.9	-7.6	0	0	112.2	Q682 A683 W689 Q690	Q682-Q686 WeakPolarHBondContact O-CG 3.45Å; Q682-Q686 PolarHBondContact O-N 3.17Å; A683-Q686 PolarHBondContact O-N 3.33Å; Q686-W689 PolarHBondContact O-N 3.03Å; Q686-Q690 WeakPolarHBondContact O-CB 3.2Å; Q686-Q690 PolarHBondContact O-N 2.91Å
687	Y	93	Very high	87.7	Confident	54 Å²	54	41.9 Å²	41.9	21%	0.212	22%	0.216	C	C	.	.	H	α-helix	trans	-68.3	-31.9	176.4	-62	-35.6	0	0	0	113.3	A553 M556 M557 I560 A683 F684 I685 W689 Q690 V691	A553-Y687 HydrophobicContact CB-CD1 4.22Å; A553-Y687 HydrophobicContact CB-CG 4.42Å; M556-Y687 HydrophobicContact CB-CD2 4.2Å; M556-Y687 HydrophobicContact CB-CE1 4.28Å; M556-Y687 HydrophobicContact CB-CE2 3.5Å; M556-Y687 VanDerWaalsContact CB-CE2 3.5Å; M557-Y687 VanDerWaalsContact CE-C 3.42Å; M557-Y687 VanDerWaalsContact CE-CB 3.48Å; M557-Y687 HydrophobicContact CG-CD2 4.11Å; M557-Y687 HydrophobicContact CG-CG 4.44Å; I560-Y687 HydrophobicContact CD1-CE2 3.83Å; A683-Y687 HydrophobicContact CB-CE2 4.13Å; A683-Y687 WeakPolarHBondContact O-CD2 3.18Å; A683-Y687 PolarHBondContact O-N 3.38Å; F684-Y687 PolarHBondContact O-N 2.89Å; I685-Y687 VanDerWaalsContact C-N 3.33Å; I685-Y687 PolarHBondContact O-N 3.48Å; Y687-W689 VanDerWaalsContact C-N 3.35Å; Y687-Q690 PolarHBondContact O-N 2.97Å; Y687-V691 VanDerWaalsContact O-CG2 3.3Å; Y687-V691 WeakPolarHBondContact O-CG2 3.32Å; Y687-V691 PolarHBondContact O-N 3.28Å
688	I	91.4	Very high	87.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.9	-48.9	170.4	-68.3	165.4	0	0	0	109.7	M557 M571 A656 T659 M663 F684 I685 Q690 V691 S692	M557-I688 HydrophobicContact CE-CG1 4.01Å; M571-I688 HydrophobicContact CE-CG2 4.35Å; M571-I688 HydrophobicContact SD-CG2 3.83Å; A656-I688 HydrophobicContact CB-CG2 4.05Å; T659-I688 HydrophobicContact CG2-CD1 3.84Å; T659-I688 HydrophobicContact CG2-CG1 4Å; T659-I688 HydrophobicContact CG2-CG2 4.47Å; M663-I688 HydrophobicContact CB-CD1 4.08Å; M663-I688 HydrophobicContact CG-CD1 3.75Å; F684-I688 WeakPolarHBondContact O-CG1 3.37Å; F684-I688 PolarHBondContact O-N 3.48Å; I685-I688 WeakPolarHBondContact O-CB 3.32Å; I685-I688 PolarHBondContact O-N 2.95Å; I688-Q690 PolarHBondContact O-N 2.93Å; I688-V691 PolarHBondContact O-N 3.05Å; I688-S692 WeakPolarHBondContact O-CB 3.1Å; I688-S692 PolarHBondContact O-N 2.94Å
689	W	90.6	Very high	87.1	Confident	77 Å²	77	38 Å²	38	29%	0.292	19%	0.194	S	C	.	.	H	α-helix	trans	-63.3	-42.1	176.8	-65.1	117.6	0	0	0	112.2	A656 Y657 I685 Q686 Y687 V691 S692 Q693	A656-W689 HydrophobicContact CB-CE3 4.38Å; A656-W689 HydrophobicContact CB-CH2 4.38Å; A656-W689 HydrophobicContact CB-CZ3 3.96Å; Y657-W689 AromaticContact CD1-CH2 3.86Å; Y657-W689 HydrophobicContact CD1-CH2 3.86Å; Y657-W689 HydrophobicContact CD1-CZ2 4.18Å; Y657-W689 AromaticContact CE1-CH2 3.49Å; Y657-W689 HydrophobicContact CE1-CH2 3.49Å; Y657-W689 VanDerWaalsContact CE1-CH2 3.49Å; Y657-W689 AromaticContact CE1-CZ2 3.83Å; Y657-W689 HydrophobicContact CE1-CZ2 3.83Å; Y657-W689 HydrophobicContact CE2-CH2 4.2Å; Y657-W689 HydrophobicContact CG-CH2 4.36Å; Y657-W689 AromaticContact CZ-CH2 3.67Å; I685-W689 PolarHBondContact O-N 3.24Å; Q686-W689 PolarHBondContact O-N 3.03Å; Y687-W689 VanDerWaalsContact C-N 3.35Å; W689-V691 VanDerWaalsContact C-N 3.28Å; W689-V691 PolarHBondContact O-N 3.39Å; W689-S692 PolarHBondContact O-N 3.26Å; W689-S692 VanDerWaalsContact O-N 3.16Å; W689-Q693 VanDerWaalsContact O-CG 3.31Å; W689-Q693 WeakPolarHBondContact O-CG 3.47Å; W689-Q693 PolarHBondContact O-N 2.98Å
690	Q	89.9	Confident	86.9	Confident	96 Å²	96	40.8 Å²	40.8	45%	0.449	20%	0.195	S	C	.	.	H	α-helix	trans	-59.7	-35.4	176.9	-172.5	61.4	71	0	0	113.2	A553 Q686 Y687 I688 P694	A553-Q690 HydrophobicContact CB-CB 4.36Å; A553-Q690 HydrophobicContact CB-CG 4.09Å; Q686-Q690 WeakPolarHBondContact O-CB 3.2Å; Q686-Q690 PolarHBondContact O-N 2.91Å; Y687-Q690 PolarHBondContact O-N 2.97Å; I688-Q690 PolarHBondContact O-N 2.93Å; Q690-P694 WeakPolarHBondContact O-CD 3.39Å
691	V	89.7	Confident	86.6	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.012	18%	0.184	C	C	.	.	H	α-helix	trans	-80.4	-33.5	175.7	175.6	0	0	0	0	111.5	I550 A553 V554 M557 M571 I572 Y687 I688 W689	I550-V691 HydrophobicContact CG2-CG1 4.46Å; A553-V691 HydrophobicContact CB-CG2 3.71Å; V554-V691 HydrophobicContact CG2-CG2 4.49Å; M557-V691 HydrophobicContact CE-CG2 4.48Å; M571-V691 HydrophobicContact CE-CB 3.65Å; M571-V691 HydrophobicContact CE-CG1 3.45Å; M571-V691 VanDerWaalsContact CE-CG1 3.45Å; I572-V691 HydrophobicContact CD1-CG1 3.91Å; I572-V691 HydrophobicContact CG1-CG1 3.63Å; Y687-V691 VanDerWaalsContact O-CG2 3.3Å; Y687-V691 WeakPolarHBondContact O-CG2 3.32Å; Y687-V691 PolarHBondContact O-N 3.28Å; I688-V691 PolarHBondContact O-N 3.05Å; W689-V691 VanDerWaalsContact C-N 3.28Å; W689-V691 PolarHBondContact O-N 3.39Å
692	S	87	Confident	85.8	Confident	7 Å²	7	39.7 Å²	39.7	5%	0.049	20%	0.195	C	C	.	.	H	α-helix	trans	-74.1	-32	178.6	-176.4	0	0	0	0	114	I688 W689 M695 G696	I688-S692 WeakPolarHBondContact O-CB 3.1Å; I688-S692 PolarHBondContact O-N 2.94Å; W689-S692 PolarHBondContact O-N 3.26Å; W689-S692 VanDerWaalsContact O-N 3.16Å; S692-M695 PolarHBondContact O-N 3.27Å; S692-G696 PolarHBondContact O-N 3.37Å
693	Q	86.5	Confident	85.3	Confident	114 Å²	114	41.3 Å²	41.3	53%	0.533	21%	0.209	S	C	.	.	H	α-helix	trans	-59.6	-53.3	-176.7	-78.6	-70.7	-7.4	0	0	112.4	W689 M695 G696 E697	W689-Q693 VanDerWaalsContact O-CG 3.31Å; W689-Q693 WeakPolarHBondContact O-CG 3.47Å; W689-Q693 PolarHBondContact O-N 2.98Å; Q693-M695 VanDerWaalsContact C-N 3.27Å; Q693-M695 PolarHBondContact O-N 2.96Å; Q693-G696 PolarHBondContact O-N 3.38Å; Q693-G696 VanDerWaalsContact O-N 3.08Å; Q693-E697 PolarHBondContact O-N 2.96Å
694	P	85.7	Confident	85	Confident	12 Å²	12	42.1 Å²	42.1	8%	0.078	21%	0.21	C	C	.	.	H	α-helix	trans	-59.4	-34.5	178.4	-25.6	35.1	0	0	0	114.1	A546 I550 Q690 G696 E697 I698	A546-P694 HydrophobicContact CB-CB 3.64Å; A546-P694 HydrophobicContact CB-CG 4.19Å; I550-P694 HydrophobicContact CD1-CB 4.25Å; I550-P694 HydrophobicContact CD1-CG 4.48Å; I550-P694 HydrophobicContact CG1-CG 4.33Å; Q690-P694 WeakPolarHBondContact O-CD 3.39Å; P694-G696 PolarHBondContact O-N 2.93Å; P694-E697 PolarHBondContact O-N 3.33Å; P694-I698 PolarHBondContact O-N 3.18Å
695	M	82.6	Confident	84.7	Confident	10 Å²	10	46.4 Å²	46.4	5%	0.049	23%	0.232	C	C	.	.	H	α-helix	trans	-61	-33.8	178.2	-64.6	-64.5	128.9	0	0	112.3	I550 L576 V652 S692 Q693 I698	I550-M695 HydrophobicContact CD1-CE 3.37Å; I550-M695 HydrophobicContact CG1-CE 4.46Å; L576-M695 HydrophobicContact CD2-CE 4.28Å; L576-M695 HydrophobicContact CD2-SD 3.78Å; L576-M695 HydrophobicContact CG-SD 4.07Å; V652-M695 HydrophobicContact CG1-CB 3.69Å; S692-M695 PolarHBondContact O-N 3.27Å; Q693-M695 VanDerWaalsContact C-N 3.27Å; Q693-M695 PolarHBondContact O-N 2.96Å; M695-I698 HydrophobicContact SD-CD1 4.09Å
696	G	79	Confident	84.2	Confident	2 Å²	2	49.7 Å²	49.7	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-79.1	-13.2	175.8	0	0	0	0	0	114.8	M648 Q649 S692 Q693 P694	M648-G696 WeakPolarHBondContact CE-O 3.34Å; Q649-G696 PolarHBondContact NE2-O 3.33Å; S692-G696 PolarHBondContact O-N 3.37Å; Q693-G696 PolarHBondContact O-N 3.38Å; Q693-G696 VanDerWaalsContact O-N 3.08Å; P694-G696 PolarHBondContact O-N 2.93Å
697	E	83	Confident	83.9	Confident	52 Å²	52	48 Å²	48	24%	0.243	25%	0.246	C	C	.	.	H	α-helix	trans	-90.5	-22.4	176.1	-65.2	-158.8	128.2	0	0	113.3	K542 Q693 P694 T699 Q700 L701	K542-E697 IonicContact NZ-OE1 2.92Å; K542-E697 PolarHBondContact NZ-OE1 3.09Å; Q693-E697 PolarHBondContact O-N 2.96Å; P694-E697 PolarHBondContact O-N 3.33Å; E697-T699 VanDerWaalsContact C-N 3.28Å; E697-T699 PolarHBondContact O-N 3.19Å; E697-T699 VanDerWaalsContact O-N 3.1Å; E697-Q700 WeakPolarHBondContact O-CA 3.48Å; E697-Q700 WeakPolarHBondContact O-CB 3.46Å; E697-Q700 PolarHBondContact O-N 2.95Å; E697-L701 PolarHBondContact O-N 2.83Å
698	I	81.3	Confident	83.7	Confident	60 Å²	60	46 Å²	46	31%	0.308	24%	0.24	S	C	.	.	H	α-helix	trans	-51.6	-41	-172.7	-68.3	172.3	0	0	0	113.2	L576 T579 P694 M695 Q700 L701 S702	L576-I698 HydrophobicContact CD2-CD1 4.39Å; T579-I698 HydrophobicContact CG2-CB 3.89Å; T579-I698 HydrophobicContact CG2-CD1 4.35Å; T579-I698 HydrophobicContact CG2-CG2 3.72Å; P694-I698 PolarHBondContact O-N 3.18Å; M695-I698 HydrophobicContact SD-CD1 4.09Å; I698-Q700 PolarHBondContact O-N 3.08Å; I698-L701 PolarHBondContact O-N 3.37Å; I698-S702 WeakPolarHBondContact O-CB 3.17Å; I698-S702 PolarHBondContact O-N 3Å
699	T	75.8	Confident	83.5	Confident	17 Å²	17	49.9 Å²	49.9	10%	0.104	27%	0.267	C	S	.	.	H	α-helix	trans	-68.2	-34.8	179.1	-64.2	0	0	0	0	112.6	V583 M648 E697 S702 S703	V583-T699 HydrophobicContact CG2-CG2 4.43Å; V583-T699 WeakPolarHBondContact CG2-OG1 3.48Å; M648-T699 PolarHBondContact SD-OG1 2.98Å; E697-T699 VanDerWaalsContact C-N 3.28Å; E697-T699 PolarHBondContact O-N 3.19Å; E697-T699 VanDerWaalsContact O-N 3.1Å; T699-S702 PolarHBondContact O-N 3.16Å; T699-S703 PolarHBondContact O-N 3.34Å; T699-S703 PolarHBondContact O-OG 2.9Å
700	Q	80.1	Confident	83.2	Confident	105 Å²	105	48.4 Å²	48.4	49%	0.491	27%	0.272	S	S	.	.	H	α-helix	trans	-71.2	-37.1	174.1	-63.1	178.1	-3.4	0	0	111.3	E697 I698 S703 M704	E697-Q700 WeakPolarHBondContact O-CA 3.48Å; E697-Q700 WeakPolarHBondContact O-CB 3.46Å; E697-Q700 PolarHBondContact O-N 2.95Å; I698-Q700 PolarHBondContact O-N 3.08Å; Q700-S703 PolarHBondContact O-OG 3.44Å; Q700-S703 VanDerWaalsContact O-OG 3.06Å; Q700-M704 HydrophobicContact CB-CE 4.46Å; Q700-M704 VanDerWaalsContact O-CE 3.29Å; Q700-M704 WeakPolarHBondContact O-CE 3.35Å; Q700-M704 WeakPolarHBondContact O-CG 3.46Å; Q700-M704 PolarHBondContact O-N 3.37Å
701	L	83	Confident	83.2	Confident	14 Å²	14	44 Å²	44	7%	0.073	25%	0.252	C	S	.	.	H	α-helix	trans	-65.1	-41	172.9	-64.4	178.6	0	0	0	111.3	A539 K542 E697 I698 S703 M704 I705	A539-L701 HydrophobicContact CB-CD2 4.07Å; K542-L701 HydrophobicContact CB-CD1 4.33Å; K542-L701 HydrophobicContact CB-CD2 3.86Å; K542-L701 HydrophobicContact CD-CD2 3.87Å; E697-L701 PolarHBondContact O-N 2.83Å; I698-L701 PolarHBondContact O-N 3.37Å; L701-S703 PolarHBondContact O-N 3.28Å; L701-M704 HydrophobicContact CD2-CE 3.94Å; L701-M704 PolarHBondContact O-N 3.28Å; L701-I705 WeakPolarHBondContact O-CB 3.42Å; L701-I705 VanDerWaalsContact O-CG1 3.25Å; L701-I705 WeakPolarHBondContact O-CG1 3.45Å; L701-I705 PolarHBondContact O-N 2.75Å
702	S	75.6	Confident	83.5	Confident	44 Å²	44	45.1 Å²	45.1	31%	0.308	26%	0.261	S	S	.	.	H	α-helix	trans	-61.7	-43.8	178.9	-169.2	0	0	0	0	112.2	I698 T699 Q706	I698-S702 WeakPolarHBondContact O-CB 3.17Å; I698-S702 PolarHBondContact O-N 3Å; T699-S702 PolarHBondContact O-N 3.16Å; S702-Q706 VanDerWaalsContact O-CB 3.29Å; S702-Q706 WeakPolarHBondContact O-CB 3.43Å; S702-Q706 PolarHBondContact O-N 2.76Å
703	S	75.7	Confident	83.7	Confident	63 Å²	63	51.1 Å²	51.1	44%	0.441	29%	0.286	S	S	.	.	H	α-helix	trans	-68.5	-39.2	177.1	59.1	0	0	0	0	112.4	T699 Q700 L701 Q706 S707	T699-S703 PolarHBondContact O-N 3.34Å; T699-S703 PolarHBondContact O-OG 2.9Å; Q700-S703 PolarHBondContact O-OG 3.44Å; Q700-S703 VanDerWaalsContact O-OG 3.06Å; L701-S703 PolarHBondContact O-N 3.28Å; S703-Q706 PolarHBondContact O-N 2.95Å; S703-S707 WeakPolarHBondContact O-CB 3.35Å; S703-S707 PolarHBondContact O-N 3.3Å
704	M	83.5	Confident	83.9	Confident	38 Å²	38	50.3 Å²	50.3	19%	0.187	28%	0.278	C	S	.	.	H	α-helix	trans	-65.7	-45.9	175.8	-73.5	-173.1	-74.6	0	0	112.8	Q538 Q700 L701 Q706 S707 A708	Q538-M704 HydrophobicContact CB-CE 4.44Å; Q538-M704 HydrophobicContact CB-SD 4.08Å; Q700-M704 HydrophobicContact CB-CE 4.46Å; Q700-M704 VanDerWaalsContact O-CE 3.29Å; Q700-M704 WeakPolarHBondContact O-CE 3.35Å; Q700-M704 WeakPolarHBondContact O-CG 3.46Å; Q700-M704 PolarHBondContact O-N 3.37Å; L701-M704 HydrophobicContact CD2-CE 3.94Å; L701-M704 PolarHBondContact O-N 3.28Å; M704-Q706 VanDerWaalsContact C-N 3.32Å; M704-Q706 PolarHBondContact O-N 3.08Å; M704-S707 PolarHBondContact O-N 2.81Å; M704-A708 WeakPolarHBondContact O-CB 3.44Å; M704-A708 PolarHBondContact O-N 2.99Å
705	I	85.2	Confident	84.3	Confident	90 Å²	90	49.8 Å²	49.8	46%	0.462	28%	0.275	S	S	.	.	H	α-helix	trans	-63.2	-39.6	177.5	-68.4	167.9	0	0	0	110.7	A539 L701 S709	A539-I705 HydrophobicContact CB-CG1 4.19Å; L701-I705 WeakPolarHBondContact O-CB 3.42Å; L701-I705 VanDerWaalsContact O-CG1 3.25Å; L701-I705 WeakPolarHBondContact O-CG1 3.45Å; L701-I705 PolarHBondContact O-N 2.75Å; I705-S709 VanDerWaalsContact O-CB 3.29Å; I705-S709 WeakPolarHBondContact O-CB 3.41Å; I705-S709 PolarHBondContact O-N 3.07Å
706	Q	80.6	Confident	85	Confident	89 Å²	89	54.3 Å²	54.3	42%	0.416	29%	0.294	S	S	.	.	H	α-helix	trans	-66.7	-45	176.9	-174.5	-178.8	31.6	0	0	112.3	S702 S703 M704 A708 S709 A710	S702-Q706 VanDerWaalsContact O-CB 3.29Å; S702-Q706 WeakPolarHBondContact O-CB 3.43Å; S702-Q706 PolarHBondContact O-N 2.76Å; S703-Q706 PolarHBondContact O-N 2.95Å; M704-Q706 VanDerWaalsContact C-N 3.32Å; M704-Q706 PolarHBondContact O-N 3.08Å; Q706-A708 VanDerWaalsContact C-N 3.33Å; Q706-A708 PolarHBondContact O-N 3.36Å; Q706-S709 PolarHBondContact O-N 3.48Å; Q706-A710 PolarHBondContact O-N 2.91Å
707	S	82.4	Confident	85.6	Confident	62 Å²	62	57.5 Å²	57.5	43%	0.434	31%	0.309	S	S	.	.	H	α-helix	trans	-56.8	-48.8	175	-173	0	0	0	0	110.7	S703 M704 S709 A710 S711	S703-S707 WeakPolarHBondContact O-CB 3.35Å; S703-S707 PolarHBondContact O-N 3.3Å; M704-S707 PolarHBondContact O-N 2.81Å; S707-S709 PolarHBondContact O-N 2.99Å; S707-A710 PolarHBondContact O-N 3.41Å; S707-S711 WeakPolarHBondContact O-CB 3.42Å; S707-S711 PolarHBondContact O-N 3.37Å; S707-S711 PolarHBondContact O-OG 3.06Å
708	A	89.1	Confident	86.1	Confident	12 Å²	12	55 Å²	55	10%	0.099	30%	0.297	C	S	.	.	H	α-helix	trans	-65.8	-36.9	177.9	0	0	0	0	0	113.3	A535 M704 Q706 S711 A712	A535-A708 HydrophobicContact CB-CB 3.36Å; M704-A708 WeakPolarHBondContact O-CB 3.44Å; M704-A708 PolarHBondContact O-N 2.99Å; Q706-A708 VanDerWaalsContact C-N 3.33Å; Q706-A708 PolarHBondContact O-N 3.36Å; A708-S711 PolarHBondContact O-N 3.13Å; A708-A712 WeakPolarHBondContact O-CB 3.5Å; A708-A712 PolarHBondContact O-N 3.07Å
709	S	87.8	Confident	86.7	Confident	81 Å²	81	53.8 Å²	53.8	57%	0.566	29%	0.291	S	S	*	.	H	α-helix	trans	-64.9	-39	175.2	177	0	0	0	0	112.2	I705 Q706 S707 K713	I705-S709 VanDerWaalsContact O-CB 3.29Å; I705-S709 WeakPolarHBondContact O-CB 3.41Å; I705-S709 PolarHBondContact O-N 3.07Å; Q706-S709 PolarHBondContact O-N 3.48Å; S707-S709 PolarHBondContact O-N 2.99Å; S709-K713 WeakPolarHBondContact O-CB 3.44Å; S709-K713 PolarHBondContact O-N 3.29Å; S709-K713 VanDerWaalsContact O-N 3.12Å
710	A	83.4	Confident	87.7	Confident	47 Å²	47	59 Å²	59	39%	0.388	32%	0.318	S	S	.	.	H	α-helix	trans	-70.7	-42.7	175.9	0	0	0	0	0	112.2	Q706 S707 K713 R714	Q706-A710 PolarHBondContact O-N 2.91Å; S707-A710 PolarHBondContact O-N 3.41Å; A710-K713 PolarHBondContact O-N 2.92Å; A710-R714 PolarHBondContact O-N 2.69Å
711	S	91.3	Very high	88.4	Confident	3 Å²	3	57.3 Å²	57.3	2%	0.021	31%	0.31	C	S	.	.	H	α-helix	trans	-65.8	-46.5	176	-70.7	0	0	0	0	112.2	D528 A531 S707 A708 K713 R714 V715	D528-S711 VanDerWaalsContact OD1-CB 3.28Å; D528-S711 WeakPolarHBondContact OD1-CB 3.46Å; D528-S711 PolarHBondContact OD1-OG 2.59Å; A531-S711 WeakPolarHBondContact CB-OG 3.4Å; S707-S711 WeakPolarHBondContact O-CB 3.42Å; S707-S711 PolarHBondContact O-N 3.37Å; S707-S711 PolarHBondContact O-OG 3.06Å; A708-S711 PolarHBondContact O-N 3.13Å; S711-K713 VanDerWaalsContact C-N 3.31Å; S711-K713 PolarHBondContact O-N 2.91Å; S711-R714 PolarHBondContact O-N 2.7Å; S711-R714 VanDerWaalsContact O-N 3.11Å; S711-V715 WeakPolarHBondContact O-CG2 3.25Å; S711-V715 PolarHBondContact O-N 3.21Å
712	A	94.2	Very high	88.8	Confident	25 Å²	25	61 Å²	61	21%	0.207	34%	0.335	C	S	.	.	H	α-helix	trans	-57.6	-44.3	174.7	0	0	0	0	0	111.1	V532 A708 R714 V715 F716	V532-A712 HydrophobicContact CG2-CB 3.94Å; A708-A712 WeakPolarHBondContact O-CB 3.5Å; A708-A712 PolarHBondContact O-N 3.07Å; A712-R714 VanDerWaalsContact C-N 3.31Å; A712-R714 PolarHBondContact O-N 3.25Å; A712-V715 PolarHBondContact O-N 3.48Å; A712-V715 VanDerWaalsContact O-N 3.14Å; A712-F716 HydrophobicContact CB-CD2 4.42Å; A712-F716 VanDerWaalsContact O-CD2 3.25Å; A712-F716 WeakPolarHBondContact O-CD2 3.46Å; A712-F716 PolarHBondContact O-N 3.37Å
713	K	93.2	Very high	89.6	Confident	133 Å²	133	62.8 Å²	62.8	58%	0.578	34%	0.338	S	S	*	.	H	α-helix	trans	-56.3	-43.2	175.7	-175.4	175.9	-177.4	-75.8	0	112.2	S709 A710 S711 E717	S709-K713 WeakPolarHBondContact O-CB 3.44Å; S709-K713 PolarHBondContact O-N 3.29Å; S709-K713 VanDerWaalsContact O-N 3.12Å; A710-K713 PolarHBondContact O-N 2.92Å; S711-K713 VanDerWaalsContact C-N 3.31Å; S711-K713 PolarHBondContact O-N 2.91Å; K713-E717 IonicContact NZ-OE1 3.85Å; K713-E717 PolarHBondContact NZ-OE1 2.71Å; K713-E717 WeakPolarHBondContact O-CB 3.48Å; K713-E717 VanDerWaalsContact O-CG 3.23Å; K713-E717 WeakPolarHBondContact O-CG 3.24Å; K713-E717 PolarHBondContact O-N 3.35Å
714	R	90.3	Very high	90	Very high	98 Å²	98	61.1 Å²	61.1	37%	0.37	32%	0.324	S	S	.	.	H	α-helix	trans	-68.7	-31.9	177	-71.4	-166.9	-66	-114.3	1.8	113.9	R524 D528 A710 S711 A712	R524-R714 WeakPolarHBondContact CD-O 3.49Å; R524-R714 HydrophobicContact CG-CB 4.19Å; R524-R714 PolarHBondContact NH1-O 3.39Å; D528-R714 IonicContact OD1-CZ 3.35Å; D528-R714 IonicContact OD1-NE 2.68Å; D528-R714 IonicContact OD1-NH2 3.44Å; D528-R714 PolarHBondContact OD1-NH2 3.42Å; D528-R714 WeakPolarHBondContact OD2-CB 3.47Å; D528-R714 IonicContact OD2-CZ 2.99Å; D528-R714 IonicContact OD2-NE 3.78Å; D528-R714 PolarHBondContact OD2-NE 3.07Å; D528-R714 IonicContact OD2-NH2 3.37Å; D528-R714 PolarHBondContact OD2-NH2 3.08Å; A710-R714 PolarHBondContact O-N 2.69Å; S711-R714 PolarHBondContact O-N 2.7Å; S711-R714 VanDerWaalsContact O-N 3.11Å; A712-R714 VanDerWaalsContact C-N 3.31Å; A712-R714 PolarHBondContact O-N 3.25Å
715	V	94	Very high	89.7	Confident	1 Å²	1	67.2 Å²	67.2	1%	0.006	35%	0.352	C	S	.	.	H	α-helix	trans	-69.8	-49.7	173.6	171.6	0	0	0	0	110.4	L497 I501 D528 V529 S711 A712 E717 I718 L719	L497-V715 HydrophobicContact CD1-CG1 3.92Å; L497-V715 HydrophobicContact CD2-CG1 4.29Å; L497-V715 HydrophobicContact CG-CG1 4.26Å; I501-V715 HydrophobicContact CD1-CG1 3.65Å; I501-V715 HydrophobicContact CG1-CG1 4.06Å; D528-V715 HydrophobicContact CB-CG2 3.79Å; V529-V715 HydrophobicContact CG2-CG2 4.25Å; S711-V715 WeakPolarHBondContact O-CG2 3.25Å; S711-V715 PolarHBondContact O-N 3.21Å; A712-V715 PolarHBondContact O-N 3.48Å; A712-V715 VanDerWaalsContact O-N 3.14Å; V715-E717 VanDerWaalsContact C-N 3.27Å; V715-E717 PolarHBondContact O-N 2.96Å; V715-I718 WeakPolarHBondContact O-CB 3.33Å; V715-I718 PolarHBondContact O-N 2.97Å; V715-L719 HydrophobicContact CG1-CD1 4.24Å; V715-L719 PolarHBondContact O-N 3.3Å
716	F	95.6	Very high	89.3	Confident	104 Å²	104	70.4 Å²	70.4	46%	0.456	37%	0.369	S	S	.	.	H	α-helix	trans	-63.8	-30.2	176.1	-77.8	-72.7	0	0	0	112.3	A712 I718 L719 D720	A712-F716 HydrophobicContact CB-CD2 4.42Å; A712-F716 VanDerWaalsContact O-CD2 3.25Å; A712-F716 WeakPolarHBondContact O-CD2 3.46Å; A712-F716 PolarHBondContact O-N 3.37Å; F716-I718 PolarHBondContact O-N 2.87Å; F716-I718 VanDerWaalsContact O-N 3.15Å; F716-L719 HydrophobicContact CD1-CB 4.38Å; F716-L719 HydrophobicContact CD1-CD1 3.93Å; F716-L719 HydrophobicContact CE1-CD1 4Å; F716-L719 PolarHBondContact O-N 2.67Å; F716-D720 VanDerWaalsContact O-CB 3.25Å; F716-D720 WeakPolarHBondContact O-CB 3.37Å; F716-D720 VanDerWaalsContact O-CG 3.22Å; F716-D720 PolarHBondContact O-N 3.32Å
717	E	93	Very high	89.2	Confident	70 Å²	70	68.6 Å²	68.6	33%	0.327	36%	0.362	S	S	.	.	H	α-helix	trans	-58.3	-22.1	168.7	-80.7	165.8	-164.7	0	0	114.1	R524 K713 V715	R524-E717 IonicContact CZ-OE2 3.45Å; R524-E717 IonicContact NH1-OE2 3.59Å; R524-E717 IonicContact NH2-OE2 3.8Å; R524-E717 PolarHBondContact NH2-OE2 2.91Å; R524-E717 VanDerWaalsContact NH2-OE2 3.14Å; K713-E717 IonicContact NZ-OE1 3.85Å; K713-E717 PolarHBondContact NZ-OE1 2.71Å; K713-E717 WeakPolarHBondContact O-CB 3.48Å; K713-E717 VanDerWaalsContact O-CG 3.23Å; K713-E717 WeakPolarHBondContact O-CG 3.24Å; K713-E717 PolarHBondContact O-N 3.35Å; V715-E717 VanDerWaalsContact C-N 3.27Å; V715-E717 PolarHBondContact O-N 2.96Å
718	I	93	Very high	88.8	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-83.2	-46.1	167.8	-56.3	-175.4	0	0	0	110.4	I501 K504 L508 I521 R524 V715 F716 D720 E721	I501-I718 HydrophobicContact CG2-CD1 4.22Å; I501-I718 HydrophobicContact CG2-CG2 4.27Å; K504-I718 WeakPolarHBondContact CE-O 3.11Å; K504-I718 HydrophobicContact CG-CG2 4.21Å; L508-I718 HydrophobicContact CD1-CG2 3.83Å; I521-I718 HydrophobicContact CG2-CD1 4.33Å; R524-I718 HydrophobicContact CB-CD1 3.82Å; R524-I718 HydrophobicContact CG-CD1 4.33Å; V715-I718 WeakPolarHBondContact O-CB 3.33Å; V715-I718 PolarHBondContact O-N 2.97Å; F716-I718 PolarHBondContact O-N 2.87Å; F716-I718 VanDerWaalsContact O-N 3.15Å; I718-D720 VanDerWaalsContact C-N 3.27Å; I718-D720 PolarHBondContact O-N 3.48Å; I718-E721 WeakPolarHBondContact O-CB 3.45Å; I718-E721 PolarHBondContact O-N 3.2Å
719	L	94.7	Very high	88.3	Confident	34 Å²	34	81 Å²	81	18%	0.178	42%	0.416	C	S	.	.	H	α-helix	trans	-65.7	-29.9	-175.9	-62.4	174.8	0	0	0	112.9	L497 D500 I501 K504 V715 F716	L497-L719 HydrophobicContact CD1-CD1 3.93Å; D500-L719 HydrophobicContact CB-CD2 4.31Å; I501-L719 HydrophobicContact CG1-CD2 4.06Å; I501-L719 HydrophobicContact CG1-CG 4.43Å; K504-L719 HydrophobicContact CB-CD2 4Å; K504-L719 WeakPolarHBondContact CE-O 3.35Å; K504-L719 HydrophobicContact CG-CD2 4.25Å; K504-L719 PolarHBondContact NZ-O 3.02Å; V715-L719 HydrophobicContact CG1-CD1 4.24Å; V715-L719 PolarHBondContact O-N 3.3Å; F716-L719 HydrophobicContact CD1-CB 4.38Å; F716-L719 HydrophobicContact CD1-CD1 3.93Å; F716-L719 HydrophobicContact CE1-CD1 4Å; F716-L719 PolarHBondContact O-N 2.67Å
720	D	95.8	Very high	88.2	Confident	127 Å²	127	80.2 Å²	80.2	68%	0.679	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-9.3	177.6	-63.1	-23.4	0	0	0	113	F716 I718	F716-D720 VanDerWaalsContact O-CB 3.25Å; F716-D720 WeakPolarHBondContact O-CB 3.37Å; F716-D720 VanDerWaalsContact O-CG 3.22Å; F716-D720 PolarHBondContact O-N 3.32Å; I718-D720 VanDerWaalsContact C-N 3.27Å; I718-D720 PolarHBondContact O-N 3.48Å
721	E	94.4	Very high	88.3	Confident	69 Å²	69	81.6 Å²	81.6	32%	0.322	41%	0.406	S	S	.	.	S	Bend	trans	-66.3	138.7	177.6	-175.9	77.4	-159.7	0	0	109.9	K504 L508 Y512 I718 E723	K504-E721 WeakPolarHBondContact CE-O 3.14Å; K504-E721 PolarHBondContact NZ-O 2.94Å; L508-E721 HydrophobicContact CD2-CB 3.73Å; L508-E721 HydrophobicContact CD2-CG 3.65Å; Y512-E721 HydrophobicContact CD2-CG 3.54Å; Y512-E721 HydrophobicContact CE2-CB 4.43Å; Y512-E721 HydrophobicContact CE2-CG 3.8Å; Y512-E721 HydrophobicContact CG-CG 4.34Å; I718-E721 WeakPolarHBondContact O-CB 3.45Å; I718-E721 PolarHBondContact O-N 3.2Å; E721-E723 PolarHBondContact O-N 2.88Å
722	P	92.2	Very high	87.8	Confident	91 Å²	91	86.2 Å²	86.2	59%	0.591	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-59.7	134	179.7	-24.6	34.7	0	0	0	113.2	L508 P509	L508-P722 WeakPolarHBondContact CD2-O 3.48Å; P509-P722 VanDerWaalsContact CD-O 3.25Å; P509-P722 WeakPolarHBondContact CD-O 3.28Å
723	E	91.7	Very high	87	Confident	81 Å²	81	87.3 Å²	87.3	38%	0.379	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-78.6	168.1	174.4	-73.4	167.1	-133.5	0	0	111.4	K504 R507 E721 E725	K504-E723 HydrophobicContact CD-CG 4.11Å; K504-E723 WeakPolarHBondContact CD-OE1 3.09Å; K504-E723 WeakPolarHBondContact CE-OE1 3.29Å; K504-E723 IonicContact NZ-OE1 3.89Å; K504-E723 PolarHBondContact NZ-OE1 3Å; R507-E723 HydrophobicContact CB-CB 4.3Å; R507-E723 HydrophobicContact CB-CG 3.81Å; R507-E723 WeakPolarHBondContact CD-OE2 3.45Å; R507-E723 IonicContact NH1-OE2 2.72Å; E721-E723 PolarHBondContact O-N 2.88Å; E723-E725 PolarHBondContact O-N 3.31Å
724	E	84.6	Confident	86.2	Confident	28 Å²	28	82.1 Å²	82.1	13%	0.131	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-56.3	129.8	169.7	-69	-170.9	176.7	0	0	109.8	R76 R507 P509 L726 R810 R814	R76-E724 IonicContact CZ-OE1 3.98Å; R76-E724 IonicContact NH1-OE1 2.88Å; R76-E724 PolarHBondContact NH1-OE1 3.46Å; R507-E724 PolarHBondContact O-N 3.14Å; P509-E724 HydrophobicContact CB-CG 4.03Å; E724-L726 PolarHBondContact O-N 3.34Å; E724-R810 IonicContact OE1-NH1 2.79Å; E724-R810 WeakPolarHBondContact OE2-CD 3.45Å; E724-R810 IonicContact OE2-CZ 3.48Å; E724-R810 VanDerWaalsContact OE2-CZ 3.29Å; E724-R810 IonicContact OE2-NE 2.91Å; E724-R810 PolarHBondContact OE2-NE 3.47Å; E724-R810 IonicContact OE2-NH1 3.31Å; E724-R810 PolarHBondContact OE2-NH1 3.47Å; E724-R814 IonicContact OE1-NH2 2.9Å; E724-R814 IonicContact OE2-NH2 3.82Å; E724-R814 PolarHBondContact OE2-NH2 3Å
725	E	76.8	Confident	85.6	Confident	166 Å²	166	86.4 Å²	86.4	78%	0.776	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-60.6	126.7	177.5	-70.6	-177.5	174.6	0	0	110.1	E723	E723-E725 PolarHBondContact O-N 3.31Å
726	L	78	Confident	85	Confident	158 Å²	158	91.6 Å²	91.6	83%	0.827	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-89.2	141.2	173.8	-65.8	172	0	0	0	109.3	E724	E724-L726 PolarHBondContact O-N 3.34Å
727	N	77.2	Confident	84.5	Confident	50 Å²	50	88.2 Å²	88.2	27%	0.267	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-71.8	142.9	172.7	-62.9	-24.6	0	0	0	110.3	H729 D730 R789 Q806 M808	N727-H729 PolarHBondContact O-N 2.92Å; N727-D730 WeakPolarHBondContact CB-OD1 3.2Å; N727-D730 PolarHBondContact ND2-OD1 3.44Å; N727-R789 PolarHBondContact OD1-NH2 3.32Å; N727-Q806 PolarHBondContact ND2-O 2.91Å; N727-Q806 PolarHBondContact OD1-O 2.88Å; N727-Q806 VanDerWaalsContact OD1-O 3.11Å; N727-M808 PolarHBondContact ND2-O 3.48Å
728	D	75.2	Confident	84.3	Confident	161 Å²	161	90.8 Å²	90.8	86%	0.861	48%	0.476	S	S	*	.	S	Bend	trans	-61.6	-36.5	173.2	-77.1	-36.5	0	0	0	111.8
729	H	78.9	Confident	84.1	Confident	173 Å²	173	90.8 Å²	90.8	80%	0.801	48%	0.476	S	S	*	.	S	Bend	trans	-144.6	121	174.5	-66.2	-55.3	0	0	0	109.4	N727	N727-H729 PolarHBondContact O-N 2.92Å
730	D	85.3	Confident	84.1	Confident	65 Å²	65	91 Å²	91	35%	0.348	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-81.6	134.9	169.8	-70	-45.6	0	0	0	110.5	N727 M808 N809	N727-D730 WeakPolarHBondContact CB-OD1 3.2Å; N727-D730 PolarHBondContact ND2-OD1 3.44Å; D730-M808 VanDerWaalsContact OD1-C 3.26Å; D730-N809 HydrophobicContact CB-CB 4.21Å; D730-N809 WeakPolarHBondContact OD1-CA 3.31Å; D730-N809 PolarHBondContact OD1-N 3.3Å; D730-N809 WeakPolarHBondContact OD2-CB 3.45Å; D730-N809 PolarHBondContact OD2-ND2 3.03Å
731	L	85.1	Confident	84.1	Confident	76 Å²	76	84.9 Å²	84.9	40%	0.398	44%	0.444	S	S	.	.	B	Isolated β-bridge	trans	-74.3	139.6	163.7	-67.6	-179.9	0	0	0	109.6	V803 E807	L731-V803 HydrophobicContact CB-CG1 4.25Å; L731-V803 HydrophobicContact CD1-CG1 3.75Å; L731-E807 HydrophobicContact CD1-CB 3.84Å; L731-E807 WeakPolarHBondContact CD1-OE2 3.48Å; L731-E807 HydrophobicContact CG-CB 4.22Å; L731-E807 PolarHBondContact N-O 3.39Å
732	P	80.4	Confident	84.1	Confident	101 Å²	101	83.4 Å²	83.4	66%	0.656	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-67.2	156	177.2	29.9	-35.5	0	0	0	111.4
733	L	78.1	Confident	84.2	Confident	48 Å²	48	79.2 Å²	79.2	25%	0.251	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-52.3	139	169.7	-77.1	166.8	0	0	0	111.7	E735 D812 L816	L733-E735 PolarHBondContact O-N 3.14Å; L733-D812 HydrophobicContact CD1-CB 3.88Å; L733-D812 HydrophobicContact CD2-CB 3.93Å; L733-D812 HydrophobicContact CG-CB 3.76Å; L733-L816 HydrophobicContact CD2-CD1 3.86Å; L733-L816 HydrophobicContact CD2-CD2 3.89Å; L733-L816 HydrophobicContact CD2-CG 3.98Å
734	P	75.3	Confident	84.3	Confident	24 Å²	24	78.5 Å²	78.5	16%	0.156	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-62.8	120.4	170.2	-19.2	31.7	0	0	0	110.5	P736 V737 D801 V803 M808	P734-P736 CarbonylContact O-C 3.45Å; P734-V737 WeakPolarHBondContact O-CG2 3.26Å; P734-V737 PolarHBondContact O-N 3.26Å; P734-D801 HydrophobicContact CB-CB 4.1Å; P734-D801 HydrophobicContact CG-CB 4.07Å; P734-V803 HydrophobicContact CG-CB 4.46Å; P734-V803 HydrophobicContact CG-CG2 4.17Å; P734-M808 HydrophobicContact CG-CE 4.33Å
735	E	78.4	Confident	84.8	Confident	187 Å²	187	82 Å²	82	87%	0.874	43%	0.427	S	S	*	.	S	Bend	trans	-109.4	124.6	173.4	-73.2	-166.5	164.6	0	0	111.5	L733	L733-E735 PolarHBondContact O-N 3.14Å
736	P	80.8	Confident	85.5	Confident	110 Å²	110	74 Å²	74	71%	0.714	39%	0.39	S	S	*	.	S	Bend	cis	-77.5	143.3	-9.8	33	-33.8	0	0	0	112.2	P734 Q738	P734-P736 CarbonylContact O-C 3.45Å; P736-Q738 PolarHBondContact O-N 2.74Å
737	V	85.1	Confident	86.1	Confident	33 Å²	33	70.3 Å²	70.3	20%	0.2	37%	0.369	C	S	.	.			trans	-65.9	122.6	170.7	-174.3	0	0	0	0	108.7	P734 D801 L816 K897	P734-V737 WeakPolarHBondContact O-CG2 3.26Å; P734-V737 PolarHBondContact O-N 3.26Å; V737-D801 WeakPolarHBondContact CG1-OD2 3.43Å; V737-L816 HydrophobicContact CB-CD2 4.43Å; V737-L816 HydrophobicContact CG1-CD1 4.34Å; V737-L816 HydrophobicContact CG1-CD2 4.04Å; V737-L816 HydrophobicContact CG2-CD2 3.73Å; V737-K897 HydrophobicContact CB-CG 4.17Å; V737-K897 HydrophobicContact CG1-CB 4.03Å; V737-K897 HydrophobicContact CG1-CG 4.02Å
738	Q	89.1	Confident	86.8	Confident	125 Å²	125	68.2 Å²	68.2	58%	0.584	36%	0.357	S	S	*	.			trans	-93.3	-33.3	173.9	-57.4	-178.7	14.4	0	0	110.8	P736 N740 A766 D801	P736-Q738 PolarHBondContact O-N 2.74Å; Q738-N740 PolarHBondContact OE1-ND2 2.83Å; Q738-A766 HydrophobicContact CB-CB 4.11Å; Q738-A766 WeakPolarHBondContact O-CB 3.34Å; Q738-D801 PolarHBondContact N-OD2 2.97Å
739	G	89.9	Confident	87.4	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.322	C	S	.	.			trans	93	24.3	179.2	0	0	0	0	0	114.3	D801 T928	G739-D801 PolarHBondContact N-OD1 2.68Å; G739-D801 PolarHBondContact N-OD2 3.45Å; G739-T928 WeakPolarHBondContact O-CB 3.5Å; G739-T928 WeakPolarHBondContact O-CG2 3.4Å; G739-T928 PolarHBondContact O-OG1 3.01Å
740	N	93.8	Very high	87.7	Confident	37 Å²	37	57 Å²	57	20%	0.198	30%	0.299	C	S	.	.			trans	-71.6	139	169	-53.2	-74.7	0	0	0	109.7	Q738 V764 K765 A766 I800 D801	Q738-N740 PolarHBondContact OE1-ND2 2.83Å; N740-V764 CarbonylContact C-O 3.58Å; N740-V764 WeakPolarHBondContact CA-O 3.43Å; N740-K765 WeakPolarHBondContact OD1-CA 3.15Å; N740-A766 PolarHBondContact OD1-N 2.86Å; N740-I800 WeakPolarHBondContact O-CA 3.47Å; N740-D801 WeakPolarHBondContact CB-OD1 3.44Å; N740-D801 PolarHBondContact N-OD1 2.94Å; N740-D801 PolarHBondContact ND2-OD1 3.44Å; N740-D801 PolarHBondContact O-N 3.07Å
741	V	95.1	Very high	87.5	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	127.2	180	-177.2	0	0	0	0	110.3	F743 V764 L787 L799 I800 I898 F930	V741-F743 HydrophobicContact CG1-CD2 4.23Å; V741-F743 HydrophobicContact CG1-CE2 3.98Å; V741-V764 HydrophobicContact CB-CB 4.49Å; V741-V764 PolarHBondContact N-O 3.11Å; V741-V764 PolarHBondContact O-N 3.47Å; V741-L787 HydrophobicContact CG1-CD2 3.91Å; V741-L799 WeakPolarHBondContact CA-O 3.33Å; V741-I800 HydrophobicContact CG2-CG1 4.46Å; V741-I898 HydrophobicContact CG2-CD1 3.69Å; V741-I898 HydrophobicContact CG2-CG1 4.39Å; V741-F930 HydrophobicContact CB-CE2 4.31Å; V741-F930 HydrophobicContact CB-CZ 4.04Å; V741-F930 HydrophobicContact CG1-CE2 4.43Å; V741-F930 HydrophobicContact CG1-CZ 4Å; V741-F930 HydrophobicContact CG2-CE2 4.07Å; V741-F930 HydrophobicContact CG2-CZ 4.31Å
742	V	95.6	Very high	87.2	Confident	37 Å²	37	59 Å²	59	22%	0.224	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	125.3	177.8	-175.5	0	0	0	0	109.9	E763 I798 L799	V742-E763 HydrophobicContact CG2-CB 4.36Å; V742-E763 HydrophobicContact CG2-CG 4.06Å; V742-I798 CarbonylContact O-C 3.56Å; V742-I798 WeakPolarHBondContact O-CA 3.39Å; V742-L799 HydrophobicContact CB-CB 4.17Å; V742-L799 HydrophobicContact CB-CD1 4.32Å; V742-L799 PolarHBondContact N-O 2.91Å; V742-L799 PolarHBondContact O-N 3.34Å
743	F	94.5	Very high	87.2	Confident	3 Å²	3	62.9 Å²	62.9	1%	0.013	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	123.4	162	-77.6	-113.6	0	0	0	107.7	V741 V746 L760 S761 F762 L783 L787 I798	V741-F743 HydrophobicContact CG1-CD2 4.23Å; V741-F743 HydrophobicContact CG1-CE2 3.98Å; F743-V746 HydrophobicContact CB-CG2 4.3Å; F743-V746 HydrophobicContact CD1-CB 4.15Å; F743-V746 HydrophobicContact CD1-CG1 4.4Å; F743-V746 HydrophobicContact CD1-CG2 3.85Å; F743-V746 HydrophobicContact CG-CG2 4.45Å; F743-L760 HydrophobicContact CD1-CD2 3.87Å; F743-L760 HydrophobicContact CD1-CG 4.28Å; F743-L760 HydrophobicContact CE1-CD2 4.19Å; F743-S761 WeakPolarHBondContact O-CA 3.49Å; F743-F762 HydrophobicContact CB-CD1 3.93Å; F743-F762 HydrophobicContact CB-CE1 3.85Å; F743-F762 HydrophobicContact CB-CG 4.44Å; F743-F762 HydrophobicContact CB-CZ 4.29Å; F743-F762 HydrophobicContact CD1-CE1 4.01Å; F743-F762 HydrophobicContact CD1-CZ 4.32Å; F743-F762 HydrophobicContact CD2-CD1 4.35Å; F743-F762 HydrophobicContact CD2-CD2 4.43Å; F743-F762 AromaticContact CD2-CE1 3.59Å; F743-F762 HydrophobicContact CD2-CE1 3.59Å; F743-F762 AromaticContact CD2-CE2 3.66Å; F743-F762 HydrophobicContact CD2-CE2 3.66Å; F743-F762 AromaticContact CD2-CZ 3.19Å; F743-F762 HydrophobicContact CD2-CZ 3.19Å; F743-F762 HydrophobicContact CE1-CE1 4.5Å; F743-F762 HydrophobicContact CE2-CE1 4.12Å; F743-F762 HydrophobicContact CE2-CE2 4.08Å; F743-F762 AromaticContact CE2-CZ 3.45Å; F743-F762 HydrophobicContact CE2-CZ 3.45Å; F743-F762 VanDerWaalsContact CE2-CZ 3.45Å; F743-F762 HydrophobicContact CG-CD1 4.15Å; F743-F762 AromaticContact CG-CE1 3.54Å; F743-F762 HydrophobicContact CG-CE1 3.54Å; F743-F762 HydrophobicContact CG-CE2 4.39Å; F743-F762 AromaticContact CG-CZ 3.69Å; F743-F762 HydrophobicContact CG-CZ 3.69Å; F743-F762 HydrophobicContact CZ-CZ 4.13Å; F743-F762 PolarHBondContact N-O 2.79Å; F743-F762 PolarHBondContact O-N 3.26Å; F743-L783 HydrophobicContact CE1-CG 4.44Å; F743-L783 HydrophobicContact CZ-CD2 4.28Å; F743-L783 HydrophobicContact CZ-CG 4.24Å; F743-L787 HydrophobicContact CE2-CD2 3.62Å; F743-L787 HydrophobicContact CE2-CG 4.28Å; F743-L787 HydrophobicContact CZ-CD2 3.77Å; F743-L787 HydrophobicContact CZ-CG 3.98Å; F743-I798 HydrophobicContact CD1-CD1 4.17Å; F743-I798 HydrophobicContact CD1-CG1 3.93Å; F743-I798 HydrophobicContact CE1-CD1 3.58Å; F743-I798 HydrophobicContact CE1-CG1 3.85Å; F743-I798 HydrophobicContact CE2-CG2 4.23Å; F743-I798 HydrophobicContact CG-CG1 4.37Å; F743-I798 HydrophobicContact CZ-CD1 3.9Å; F743-I798 HydrophobicContact CZ-CG1 4.21Å; F743-I798 HydrophobicContact CZ-CG2 4.37Å
744	D	94.2	Very high	87.4	Confident	66 Å²	66	67.9 Å²	67.9	35%	0.353	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	100.3	-178.9	178.6	28.8	0	0	0	109.5	V746 G796 R797	D744-V746 VanDerWaalsContact C-N 3.3Å; D744-V746 PolarHBondContact O-N 3.08Å; D744-G796 CarbonylContact O-C 3.55Å; D744-G796 WeakPolarHBondContact O-CA 3.48Å; D744-R797 HydrophobicContact CB-CB 4.35Å; D744-R797 PolarHBondContact N-O 3.29Å; D744-R797 PolarHBondContact O-N 2.92Å
745	H	93.3	Very high	87.7	Confident	101 Å²	101	70.7 Å²	70.7	47%	0.468	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	50	44.5	176.3	-70.2	-69.9	0	0	0	114.4	D759 L760 S761 G796	H745-D759 VanDerWaalsContact CA-OD1 3.23Å; H745-D759 WeakPolarHBondContact CA-OD1 3.29Å; H745-D759 WeakPolarHBondContact CB-OD1 3.45Å; H745-D759 IonicContact CE1-OD1 3.89Å; H745-D759 IonicContact CE1-OD2 3.72Å; H745-D759 IonicContact CG-OD1 3.44Å; H745-D759 IonicContact ND1-OD1 2.75Å; H745-D759 PolarHBondContact ND1-OD1 3.26Å; H745-D759 IonicContact ND1-OD2 3.2Å; H745-D759 PolarHBondContact ND1-OD2 3.39Å; H745-L760 PolarHBondContact N-O 2.94Å; H745-S761 WeakPolarHBondContact CA-OG 3.42Å; H745-S761 PolarHBondContact N-OG 3.15Å; H745-S761 PolarHBondContact ND1-OG 3.02Å; H745-G796 VanDerWaalsContact O-CA 3.24Å; H745-G796 WeakPolarHBondContact O-CA 3.37Å
746	V	92.6	Very high	88	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	131.1	-173.2	169.8	0	0	0	0	111.8	F743 D744 I757 L760 L786 I793 S795 R797 I798	F743-V746 HydrophobicContact CB-CG2 4.3Å; F743-V746 HydrophobicContact CD1-CB 4.15Å; F743-V746 HydrophobicContact CD1-CG1 4.4Å; F743-V746 HydrophobicContact CD1-CG2 3.85Å; F743-V746 HydrophobicContact CG-CG2 4.45Å; D744-V746 VanDerWaalsContact C-N 3.3Å; D744-V746 PolarHBondContact O-N 3.08Å; V746-I757 WeakPolarHBondContact O-CG2 3.06Å; V746-L760 HydrophobicContact CB-CB 4.2Å; V746-L760 PolarHBondContact N-O 2.77Å; V746-L760 PolarHBondContact O-N 3.05Å; V746-L786 HydrophobicContact CG1-CD1 4.27Å; V746-I793 HydrophobicContact CG1-CB 4.18Å; V746-I793 HydrophobicContact CG1-CG2 3.53Å; V746-I793 HydrophobicContact CG2-CD1 4.35Å; V746-S795 WeakPolarHBondContact CA-O 3.22Å; V746-R797 VanDerWaalsContact CG2-O 3.23Å; V746-R797 WeakPolarHBondContact CG2-O 3.45Å; V746-I798 HydrophobicContact CG2-CG1 3.79Å
747	Q	91.2	Very high	88.2	Confident	80 Å²	80	58.6 Å²	58.6	37%	0.374	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	136.7	174.6	-46.7	-166.8	-30.9	0	0	110.1	I757 E758 N794 S795	Q747-I757 CarbonylContact C-O 3.57Å; Q747-I757 WeakPolarHBondContact CA-O 3.41Å; Q747-E758 VanDerWaalsContact CG-O 3.27Å; Q747-E758 WeakPolarHBondContact CG-O 3.38Å; Q747-E758 PolarHBondContact NE2-O 2.99Å; Q747-N794 PolarHBondContact O-N 3.44Å; Q747-S795 PolarHBondContact N-O 2.8Å; Q747-S795 PolarHBondContact O-N 2.99Å
748	F	91.4	Very high	88.1	Confident	6 Å²	6	61.9 Å²	61.9	3%	0.026	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	145.1	-178.9	179.9	-103.5	0	0	0	114.7	Y750 L756 I757 T782 L786 Y791 D792 N794	F748-Y750 AromaticContact CE1-CD1 3.74Å; F748-Y750 HydrophobicContact CE1-CD1 3.74Å; F748-Y750 AromaticContact CE1-CD2 3.95Å; F748-Y750 HydrophobicContact CE1-CD2 3.95Å; F748-Y750 AromaticContact CE1-CE1 3.67Å; F748-Y750 HydrophobicContact CE1-CE1 3.67Å; F748-Y750 AromaticContact CE1-CE2 3.89Å; F748-Y750 HydrophobicContact CE1-CE2 3.89Å; F748-Y750 AromaticContact CE1-CG 3.88Å; F748-Y750 HydrophobicContact CE1-CG 3.88Å; F748-Y750 AromaticContact CE1-CZ 3.76Å; F748-Y750 AromaticContact CZ-CD1 3.65Å; F748-Y750 HydrophobicContact CZ-CD1 3.65Å; F748-Y750 AromaticContact CZ-CE1 3.78Å; F748-Y750 HydrophobicContact CZ-CE1 3.78Å; F748-Y750 HydrophobicContact CZ-CG 4.1Å; F748-L756 PolarHBondContact O-N 3.28Å; F748-L756 VanDerWaalsContact O-N 3.11Å; F748-I757 HydrophobicContact CB-CB 4.22Å; F748-I757 HydrophobicContact CB-CD1 4.42Å; F748-I757 PolarHBondContact N-O 2.99Å; F748-I757 PolarHBondContact O-N 3.34Å; F748-T782 HydrophobicContact CD1-CG2 3.49Å; F748-T782 VanDerWaalsContact CD1-CG2 3.49Å; F748-T782 HydrophobicContact CE1-CG2 3.56Å; F748-L786 HydrophobicContact CB-CD1 4.01Å; F748-L786 HydrophobicContact CB-CD2 4.36Å; F748-L786 HydrophobicContact CD1-CD1 4.39Å; F748-L786 HydrophobicContact CD1-CD2 4.21Å; F748-L786 HydrophobicContact CD2-CD2 3.78Å; F748-L786 HydrophobicContact CE2-CD2 4.13Å; F748-L786 HydrophobicContact CG-CD1 4.17Å; F748-L786 HydrophobicContact CG-CD2 3.82Å; F748-L786 HydrophobicContact CG-CG 4.48Å; F748-L786 HydrophobicContact CZ-CD2 4.48Å; F748-Y791 HydrophobicContact CE2-CD1 4.17Å; F748-Y791 HydrophobicContact CE2-CG 4.29Å; F748-Y791 AromaticContact CZ-CD1 3.71Å; F748-Y791 HydrophobicContact CZ-CD1 3.71Å; F748-Y791 AromaticContact CZ-CG 3.83Å; F748-Y791 HydrophobicContact CZ-CG 3.83Å; F748-D792 WeakPolarHBondContact CD2-O 3.43Å; F748-D792 WeakPolarHBondContact CE2-O 3.25Å; F748-N794 WeakPolarHBondContact CA-OD1 3.26Å
749	S	87.9	Confident	87.9	Confident	19 Å²	19	60 Å²	60	13%	0.133	30%	0.303	C	S	.	.			trans	-148.9	132.8	177.3	64.1	0	0	0	0	111.4	D751 K754 N794	S749-D751 VanDerWaalsContact C-N 3.35Å; S749-D751 WeakPolarHBondContact CB-O 3.49Å; S749-K754 WeakPolarHBondContact CB-O 3.2Å; S749-N794 PolarHBondContact N-OD1 3.38Å; S749-N794 PolarHBondContact OG-OD1 2.96Å
750	Y	85	Confident	87.9	Confident	80 Å²	80	60.1 Å²	60.1	31%	0.314	30%	0.304	S	S	.	.	S	Bend	trans	-74.6	-27.3	172.4	-66.4	-73.3	0	0	0	112.7	F748 L756 T782 N785 Y791	F748-Y750 AromaticContact CE1-CD1 3.74Å; F748-Y750 HydrophobicContact CE1-CD1 3.74Å; F748-Y750 AromaticContact CE1-CD2 3.95Å; F748-Y750 HydrophobicContact CE1-CD2 3.95Å; F748-Y750 AromaticContact CE1-CE1 3.67Å; F748-Y750 HydrophobicContact CE1-CE1 3.67Å; F748-Y750 AromaticContact CE1-CE2 3.89Å; F748-Y750 HydrophobicContact CE1-CE2 3.89Å; F748-Y750 AromaticContact CE1-CG 3.88Å; F748-Y750 HydrophobicContact CE1-CG 3.88Å; F748-Y750 AromaticContact CE1-CZ 3.76Å; F748-Y750 AromaticContact CZ-CD1 3.65Å; F748-Y750 HydrophobicContact CZ-CD1 3.65Å; F748-Y750 AromaticContact CZ-CE1 3.78Å; F748-Y750 HydrophobicContact CZ-CE1 3.78Å; F748-Y750 HydrophobicContact CZ-CG 4.1Å; Y750-L756 HydrophobicContact CD2-CD2 3.91Å; Y750-L756 HydrophobicContact CE2-CD2 3.62Å; Y750-T782 HydrophobicContact CE2-CG2 3.85Å; Y750-T782 WeakPolarHBondContact CE2-OG1 3.28Å; Y750-T782 WeakPolarHBondContact OH-CA 3.33Å; Y750-T782 WeakPolarHBondContact OH-CB 3.2Å; Y750-T782 WeakPolarHBondContact OH-CG2 3.41Å; Y750-T782 PolarHBondContact OH-OG1 2.92Å; Y750-N785 PolarHBondContact OH-ND2 3.37Å; Y750-Y791 AromaticContact CD1-CD1 3.95Å; Y750-Y791 HydrophobicContact CD1-CD1 3.95Å; Y750-Y791 AromaticContact CD1-CE1 3.53Å; Y750-Y791 HydrophobicContact CD1-CE1 3.53Å; Y750-Y791 HydrophobicContact CD1-CE2 4.32Å; Y750-Y791 HydrophobicContact CD1-CG 4.48Å; Y750-Y791 AromaticContact CD1-CZ 3.74Å; Y750-Y791 HydrophobicContact CE1-CD1 4.03Å; Y750-Y791 AromaticContact CE1-CD2 3.95Å; Y750-Y791 HydrophobicContact CE1-CD2 3.95Å; Y750-Y791 AromaticContact CE1-CE1 3.76Å; Y750-Y791 HydrophobicContact CE1-CE1 3.76Å; Y750-Y791 AromaticContact CE1-CE2 3.7Å; Y750-Y791 HydrophobicContact CE1-CE2 3.7Å; Y750-Y791 HydrophobicContact CE1-CG 4.11Å; Y750-Y791 AromaticContact CE1-CZ 3.59Å
751	D	81.6	Confident	87.7	Confident	66 Å²	66	61 Å²	61	35%	0.353	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-127.3	121.9	171.3	173	-0.1	0	0	0	106.6	S749 K753 K754	S749-D751 VanDerWaalsContact C-N 3.35Å; S749-D751 WeakPolarHBondContact CB-O 3.49Å; D751-K753 PolarHBondContact O-N 3.04Å; D751-K753 WeakPolarHBondContact OD1-CB 3.26Å; D751-K753 PolarHBondContact OD1-N 3.47Å; D751-K754 CarbonylContact O-C 3.33Å; D751-K754 PolarHBondContact O-N 2.93Å
752	P	78.6	Confident	87.5	Confident	116 Å²	116	61.8 Å²	61.8	75%	0.753	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-17.1	177.3	-28	35.2	0	0	0	115.2
753	K	80.5	Confident	87.4	Confident	183 Å²	183	65.8 Å²	65.8	80%	0.796	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-8.7	175.8	-60.6	176.4	-179.3	174.3	0	114.2	D751	D751-K753 PolarHBondContact O-N 3.04Å; D751-K753 WeakPolarHBondContact OD1-CB 3.26Å; D751-K753 PolarHBondContact OD1-N 3.47Å
754	K	81	Confident	87.4	Confident	152 Å²	152	65.7 Å²	65.7	66%	0.661	33%	0.332	S	S	*	.	B	Isolated β-bridge	trans	-137.2	86.2	-176.4	-67.9	-177.2	-178.9	177.7	0	109.3	S749 D751 L756	S749-K754 WeakPolarHBondContact CB-O 3.2Å; D751-K754 CarbonylContact O-C 3.33Å; D751-K754 PolarHBondContact O-N 2.93Å; K754-L756 PolarHBondContact O-N 2.93Å
755	P	81.8	Confident	87.4	Confident	83 Å²	83	67.5 Å²	67.5	54%	0.539	34%	0.337	S	S	.	.			trans	-55.4	140.4	170.6	25.2	-33.4	0	0	0	109.8	E758	P755-E758 HydrophobicContact CB-CG 4.29Å
756	L	84.4	Confident	87.4	Confident	41 Å²	41	64.9 Å²	64.9	22%	0.215	33%	0.333	C	S	.	.	S	Bend	trans	-113.8	-52.3	175.5	-178.3	63.2	0	0	0	109.8	F748 Y750 K754 T782 G951	F748-L756 PolarHBondContact O-N 3.28Å; F748-L756 VanDerWaalsContact O-N 3.11Å; Y750-L756 HydrophobicContact CD2-CD2 3.91Å; Y750-L756 HydrophobicContact CE2-CD2 3.62Å; K754-L756 PolarHBondContact O-N 2.93Å; L756-T782 HydrophobicContact CD2-CG2 3.92Å; L756-T782 WeakPolarHBondContact CD2-OG1 3.41Å; L756-G951 VanDerWaalsContact O-CA 3.26Å; L756-G951 WeakPolarHBondContact O-CA 3.48Å
757	I	85.7	Confident	87.3	Confident	3 Å²	3	66.7 Å²	66.7	2%	0.015	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	118.9	175.7	-54	-177.3	0	0	0	107.4	V746 Q747 F748 L760 T782 L786	V746-I757 WeakPolarHBondContact O-CG2 3.06Å; Q747-I757 CarbonylContact C-O 3.57Å; Q747-I757 WeakPolarHBondContact CA-O 3.41Å; F748-I757 HydrophobicContact CB-CB 4.22Å; F748-I757 HydrophobicContact CB-CD1 4.42Å; F748-I757 PolarHBondContact N-O 2.99Å; F748-I757 PolarHBondContact O-N 3.34Å; I757-L760 HydrophobicContact CD1-CD2 4.22Å; I757-L760 HydrophobicContact CG2-CB 3.46Å; I757-L760 VanDerWaalsContact CG2-CB 3.46Å; I757-L760 HydrophobicContact CG2-CD2 3.93Å; I757-L760 HydrophobicContact CG2-CG 4.28Å; I757-T782 HydrophobicContact CD1-CG2 4.1Å; I757-L786 HydrophobicContact CD1-CD1 3.74Å
758	E	82.9	Confident	87.4	Confident	102 Å²	102	64.6 Å²	64.6	48%	0.477	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-36.5	-172.4	-67.1	-175.3	160.3	0	0	114.1	Q747 P755 Q952	Q747-E758 VanDerWaalsContact CG-O 3.27Å; Q747-E758 WeakPolarHBondContact CG-O 3.38Å; Q747-E758 PolarHBondContact NE2-O 2.99Å; P755-E758 HydrophobicContact CB-CG 4.29Å; E758-Q952 PolarHBondContact OE2-NE2 2.83Å
759	D	86.1	Confident	87.5	Confident	86 Å²	86	65.3 Å²	65.3	46%	0.46	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	110.4	172.3	-170.5	21.6	0	0	0	108.6	H745	H745-D759 VanDerWaalsContact CA-OD1 3.23Å; H745-D759 WeakPolarHBondContact CA-OD1 3.29Å; H745-D759 WeakPolarHBondContact CB-OD1 3.45Å; H745-D759 IonicContact CE1-OD1 3.89Å; H745-D759 IonicContact CE1-OD2 3.72Å; H745-D759 IonicContact CG-OD1 3.44Å; H745-D759 IonicContact ND1-OD1 2.75Å; H745-D759 PolarHBondContact ND1-OD1 3.26Å; H745-D759 IonicContact ND1-OD2 3.2Å; H745-D759 PolarHBondContact ND1-OD2 3.39Å
760	L	88.4	Confident	87.8	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.01	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	112.6	-174	-178.4	68.1	0	0	0	111.1	F743 H745 V746 I757 F762 L783 I953	F743-L760 HydrophobicContact CD1-CD2 3.87Å; F743-L760 HydrophobicContact CD1-CG 4.28Å; F743-L760 HydrophobicContact CE1-CD2 4.19Å; H745-L760 PolarHBondContact N-O 2.94Å; V746-L760 HydrophobicContact CB-CB 4.2Å; V746-L760 PolarHBondContact N-O 2.77Å; V746-L760 PolarHBondContact O-N 3.05Å; I757-L760 HydrophobicContact CD1-CD2 4.22Å; I757-L760 HydrophobicContact CG2-CB 3.46Å; I757-L760 VanDerWaalsContact CG2-CB 3.46Å; I757-L760 HydrophobicContact CG2-CD2 3.93Å; I757-L760 HydrophobicContact CG2-CG 4.28Å; L760-F762 HydrophobicContact CD1-CD1 4.22Å; L760-F762 HydrophobicContact CD1-CE1 4.28Å; L760-F762 HydrophobicContact CD2-CE1 4.3Å; L760-F762 HydrophobicContact CG-CD1 4.33Å; L760-F762 HydrophobicContact CG-CE1 4.18Å; L760-L783 HydrophobicContact CD2-CD1 4.24Å; L760-I953 HydrophobicContact CD1-CB 4.41Å; L760-I953 HydrophobicContact CD1-CD1 3.35Å; L760-I953 HydrophobicContact CD1-CG1 3.52Å
761	S	90	Very high	88.2	Confident	56 Å²	56	60.6 Å²	60.6	39%	0.392	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	126.7	-179.7	-55.6	0	0	0	0	111.7	F743 H745	F743-S761 WeakPolarHBondContact O-CA 3.49Å; H745-S761 WeakPolarHBondContact CA-OG 3.42Å; H745-S761 PolarHBondContact N-OG 3.15Å; H745-S761 PolarHBondContact ND1-OG 3.02Å
762	F	91.8	Very high	88.7	Confident	16 Å²	16	57.5 Å²	57.5	7%	0.07	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	159	170.1	64.1	-90.2	0	0	0	110.6	F743 L760 V764 L783 F930 L946 I953	F743-F762 HydrophobicContact CB-CD1 3.93Å; F743-F762 HydrophobicContact CB-CE1 3.85Å; F743-F762 HydrophobicContact CB-CG 4.44Å; F743-F762 HydrophobicContact CB-CZ 4.29Å; F743-F762 HydrophobicContact CD1-CE1 4.01Å; F743-F762 HydrophobicContact CD1-CZ 4.32Å; F743-F762 HydrophobicContact CD2-CD1 4.35Å; F743-F762 HydrophobicContact CD2-CD2 4.43Å; F743-F762 AromaticContact CD2-CE1 3.59Å; F743-F762 HydrophobicContact CD2-CE1 3.59Å; F743-F762 AromaticContact CD2-CE2 3.66Å; F743-F762 HydrophobicContact CD2-CE2 3.66Å; F743-F762 AromaticContact CD2-CZ 3.19Å; F743-F762 HydrophobicContact CD2-CZ 3.19Å; F743-F762 HydrophobicContact CE1-CE1 4.5Å; F743-F762 HydrophobicContact CE2-CE1 4.12Å; F743-F762 HydrophobicContact CE2-CE2 4.08Å; F743-F762 AromaticContact CE2-CZ 3.45Å; F743-F762 HydrophobicContact CE2-CZ 3.45Å; F743-F762 VanDerWaalsContact CE2-CZ 3.45Å; F743-F762 HydrophobicContact CG-CD1 4.15Å; F743-F762 AromaticContact CG-CE1 3.54Å; F743-F762 HydrophobicContact CG-CE1 3.54Å; F743-F762 HydrophobicContact CG-CE2 4.39Å; F743-F762 AromaticContact CG-CZ 3.69Å; F743-F762 HydrophobicContact CG-CZ 3.69Å; F743-F762 HydrophobicContact CZ-CZ 4.13Å; F743-F762 PolarHBondContact N-O 2.79Å; F743-F762 PolarHBondContact O-N 3.26Å; L760-F762 HydrophobicContact CD1-CD1 4.22Å; L760-F762 HydrophobicContact CD1-CE1 4.28Å; L760-F762 HydrophobicContact CD2-CE1 4.3Å; L760-F762 HydrophobicContact CG-CD1 4.33Å; L760-F762 HydrophobicContact CG-CE1 4.18Å; F762-V764 HydrophobicContact CD2-CG2 3.69Å; F762-V764 HydrophobicContact CE2-CG2 3.66Å; F762-L783 HydrophobicContact CE1-CD1 4Å; F762-L783 HydrophobicContact CZ-CD1 4.08Å; F762-F930 AromaticContact CE2-CE1 3.91Å; F762-F930 HydrophobicContact CE2-CE1 3.91Å; F762-F930 HydrophobicContact CE2-CZ 4.44Å; F762-F930 HydrophobicContact CZ-CE1 4.25Å; F762-L946 HydrophobicContact CD1-CD1 4.25Å; F762-L946 HydrophobicContact CD2-CD1 4.31Å; F762-L946 HydrophobicContact CE1-CD1 3.95Å; F762-L946 HydrophobicContact CE2-CD1 4.03Å; F762-L946 HydrophobicContact CG-CD1 4.42Å; F762-L946 HydrophobicContact CZ-CD1 3.83Å; F762-I953 HydrophobicContact CD1-CD1 3.76Å; F762-I953 HydrophobicContact CE1-CD1 4.29Å
763	E	93.1	Very high	89.2	Confident	120 Å²	120	52 Å²	52	56%	0.561	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.2	140.4	178.5	171.5	174.9	-172.8	0	0	109.8	V742	V742-E763 HydrophobicContact CG2-CB 4.36Å; V742-E763 HydrophobicContact CG2-CG 4.06Å
764	V	94.1	Very high	89.4	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	126.1	178.7	-170	0	0	0	0	107.8	N740 V741 F762 E768 V770 T928 F930	N740-V764 CarbonylContact C-O 3.58Å; N740-V764 WeakPolarHBondContact CA-O 3.43Å; V741-V764 HydrophobicContact CB-CB 4.49Å; V741-V764 PolarHBondContact N-O 3.11Å; V741-V764 PolarHBondContact O-N 3.47Å; F762-V764 HydrophobicContact CD2-CG2 3.69Å; F762-V764 HydrophobicContact CE2-CG2 3.66Å; V764-E768 HydrophobicContact CG1-CB 4.02Å; V764-V770 HydrophobicContact CB-CG2 4.22Å; V764-V770 HydrophobicContact CG1-CG2 3.44Å; V764-V770 VanDerWaalsContact CG1-CG2 3.44Å; V764-V770 HydrophobicContact CG2-CG2 3.66Å; V764-T928 HydrophobicContact CG1-CG2 3.69Å; V764-F930 HydrophobicContact CB-CZ 4.42Å; V764-F930 HydrophobicContact CG2-CE1 4.11Å; V764-F930 HydrophobicContact CG2-CZ 3.92Å
765	K	93.6	Very high	89.4	Confident	104 Å²	104	38.8 Å²	38.8	45%	0.452	22%	0.223	S	C	.	.			trans	-89.6	161.1	178.6	-52.5	-173.8	-146.5	68.6	0	111.8	N740 G767 E768	N740-K765 WeakPolarHBondContact OD1-CA 3.15Å; K765-G767 PolarHBondContact O-N 3.05Å; K765-G767 VanDerWaalsContact O-N 3.17Å; K765-E768 HydrophobicContact CB-CG 4.27Å; K765-E768 WeakPolarHBondContact CB-OE2 3.3Å; K765-E768 PolarHBondContact N-OE2 3.21Å; K765-E768 IonicContact NZ-OE1 2.76Å; K765-E768 PolarHBondContact NZ-OE1 3.05Å; K765-E768 IonicContact NZ-OE2 3.81Å; K765-E768 WeakPolarHBondContact O-CB 3.45Å; K765-E768 PolarHBondContact O-N 2.73Å; K765-E768 VanDerWaalsContact O-N 3.09Å
766	A	92.9	Very high	89.2	Confident	47 Å²	47	41.6 Å²	41.6	39%	0.388	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	117.5	175.2	0	0	0	0	0	112.7	Q738 N740 T928	Q738-A766 HydrophobicContact CB-CB 4.11Å; Q738-A766 WeakPolarHBondContact O-CB 3.34Å; N740-A766 PolarHBondContact OD1-N 2.86Å; A766-T928 WeakPolarHBondContact CA-OG1 3.35Å
767	G	91.3	Very high	88.8	Confident	38 Å²	38	42.9 Å²	42.9	39%	0.392	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	-2.4	177.1	0	0	0	0	0	116.1	K765 T928	K765-G767 PolarHBondContact O-N 3.05Å; K765-G767 VanDerWaalsContact O-N 3.17Å; G767-T928 PolarHBondContact N-OG1 3.12Å
768	E	93.9	Very high	88.7	Confident	35 Å²	35	42.9 Å²	42.9	16%	0.164	26%	0.262	C	S	.	.			trans	-76.6	145.6	174.9	-68.3	171.9	174.1	0	0	111.1	V764 K765 T928 S929 D943 H944	V764-E768 HydrophobicContact CG1-CB 4.02Å; K765-E768 HydrophobicContact CB-CG 4.27Å; K765-E768 WeakPolarHBondContact CB-OE2 3.3Å; K765-E768 PolarHBondContact N-OE2 3.21Å; K765-E768 IonicContact NZ-OE1 2.76Å; K765-E768 PolarHBondContact NZ-OE1 3.05Å; K765-E768 IonicContact NZ-OE2 3.81Å; K765-E768 WeakPolarHBondContact O-CB 3.45Å; K765-E768 PolarHBondContact O-N 2.73Å; K765-E768 VanDerWaalsContact O-N 3.09Å; E768-T928 WeakPolarHBondContact O-CA 3.41Å; E768-S929 PolarHBondContact O-N 3.39Å; E768-D943 WeakPolarHBondContact CA-OD2 3.16Å; E768-D943 HydrophobicContact CB-CB 4.29Å; E768-D943 HydrophobicContact CG-CB 4.48Å; E768-H944 IonicContact OE2-CD2 2.7Å; E768-H944 IonicContact OE2-NE2 3.42Å; E768-H944 PolarHBondContact OE2-NE2 3.08Å
769	T	93.6	Very high	88.8	Confident	22 Å²	22	38.2 Å²	38.2	14%	0.135	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	129.4	176.2	-61.9	0	0	0	0	111.4	M924 S929 V931 A942 D943 H944	T769-M924 HydrophobicContact CG2-SD 4.35Å; T769-S929 WeakPolarHBondContact CA-O 3.37Å; T769-V931 HydrophobicContact CG2-CG2 4.19Å; T769-A942 HydrophobicContact CG2-CB 4.24Å; T769-D943 PolarHBondContact N-OD2 3.34Å; T769-D943 PolarHBondContact O-N 2.78Å; T769-H944 PolarHBondContact O-N 3.41Å; T769-H944 VanDerWaalsContact O-N 3.12Å
770	V	93.9	Very high	88.8	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	108	-174.7	-174.4	0	0	0	0	110.1	V764 S929 F930 V931 H944 L946	V764-V770 HydrophobicContact CB-CG2 4.22Å; V764-V770 HydrophobicContact CG1-CG2 3.44Å; V764-V770 VanDerWaalsContact CG1-CG2 3.44Å; V764-V770 HydrophobicContact CG2-CG2 3.66Å; V770-S929 PolarHBondContact N-O 3.3Å; V770-F930 HydrophobicContact CB-CD1 3.97Å; V770-F930 HydrophobicContact CB-CE1 4.21Å; V770-F930 HydrophobicContact CG1-CD1 4.14Å; V770-F930 HydrophobicContact CG1-CE1 4.26Å; V770-F930 HydrophobicContact CG2-CD1 4.37Å; V770-F930 HydrophobicContact CG2-CE1 4.17Å; V770-V931 PolarHBondContact O-N 3.17Å; V770-H944 CarbonylContact C-O 3.59Å; V770-H944 VanDerWaalsContact CA-O 3.29Å; V770-H944 WeakPolarHBondContact CA-O 3.23Å; V770-H944 HydrophobicContact CG1-CB 4.39Å; V770-H944 HydrophobicContact CG2-CB 4.27Å; V770-L946 HydrophobicContact CG1-CD1 3.62Å; V770-L946 HydrophobicContact CG1-CD2 4.22Å; V770-L946 HydrophobicContact CG1-CG 3.57Å
771	A	92.4	Very high	88.7	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	128.7	172.8	0	0	0	0	0	110.9	V931 I939 A942 H944 I945 L946	A771-V931 CarbonylContact C-O 3.58Å; A771-V931 WeakPolarHBondContact CA-O 3.41Å; A771-I939 HydrophobicContact CB-CG1 4.46Å; A771-A942 HydrophobicContact CB-CB 3.67Å; A771-H944 PolarHBondContact N-O 3.47Å; A771-I945 HydrophobicContact CB-CG1 4.3Å; A771-I945 CarbonylContact O-C 3.07Å; A771-I945 WeakPolarHBondContact O-CA 3.46Å; A771-L946 PolarHBondContact O-N 3.23Å
772	I	91.8	Very high	88.7	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	115	179	-50.2	169	0	0	0	108.4	K780 L783 I784 V931 I932 A933 L946 M948	I772-K780 HydrophobicContact CG2-CB 4.1Å; I772-K780 HydrophobicContact CG2-CD 4.19Å; I772-K780 HydrophobicContact CG2-CG 3.97Å; I772-L783 HydrophobicContact CD1-CD2 3.86Å; I772-I784 HydrophobicContact CD1-CD1 4.22Å; I772-V931 PolarHBondContact N-O 2.79Å; I772-I932 HydrophobicContact CB-CG1 4.15Å; I772-I932 HydrophobicContact CD1-CG1 4.16Å; I772-A933 PolarHBondContact O-N 3.17Å; I772-L946 HydrophobicContact CG1-CD1 4.42Å; I772-M948 HydrophobicContact CG2-CG 4.08Å; I772-M948 HydrophobicContact CG2-SD 3.75Å
773	V	89	Confident	88.6	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	153.5	-174.5	-59.7	0	0	0	0	111.6	I939 I945 L946 V947 M948 Y969 L972	V773-I939 HydrophobicContact CG1-CD1 3.64Å; V773-I939 HydrophobicContact CG1-CG1 3.76Å; V773-I939 HydrophobicContact CG1-CG2 4.23Å; V773-I945 HydrophobicContact CG1-CG2 4.43Å; V773-I945 HydrophobicContact CG2-CG2 3.74Å; V773-L946 PolarHBondContact N-O 3.02Å; V773-V947 HydrophobicContact CG2-CB 4.17Å; V773-V947 HydrophobicContact CG2-CG1 4.25Å; V773-V947 HydrophobicContact CG2-CG2 3.8Å; V773-M948 PolarHBondContact O-N 3.12Å; V773-Y969 HydrophobicContact CG2-CD2 4.15Å; V773-Y969 HydrophobicContact CG2-CE2 4.31Å; V773-L972 HydrophobicContact CB-CD2 3.93Å; V773-L972 HydrophobicContact CG2-CD2 4.24Å
774	G	85.7	Confident	88.5	Confident	5 Å²	5	28.4 Å²	28.4	5%	0.052	19%	0.191	C	C	.	.			trans	149.1	167.8	179	0	0	0	0	0	113.4	K780	G774-K780 PolarHBondContact O-NZ 2.81Å
775	P	82	Confident	88.3	Confident	52 Å²	52	28.6 Å²	28.6	34%	0.338	19%	0.192	S	C	.	.	S	Bend	trans	-63.1	163.7	-177.4	25.1	-32.8	0	0	0	112.9	G777 A778 K780 F968	P775-G777 PolarHBondContact O-N 3.33Å; P775-A778 HydrophobicContact CG-CB 4.1Å; P775-A778 WeakPolarHBondContact O-CB 3.28Å; P775-A778 PolarHBondContact O-N 3.25Å; P775-A778 VanDerWaalsContact O-N 3.09Å; P775-K780 PolarHBondContact O-NZ 2.77Å; P775-F968 HydrophobicContact CG-CZ 4.43Å
776	T	76.4	Confident	88.2	Confident	141 Å²	141	23.8 Å²	23.8	87%	0.865	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	131.4	172.4	-45.3	0	0	0	0	109.8
777	G	76.7	Confident	88.2	Confident	69 Å²	69	21.6 Å²	21.6	71%	0.711	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.8	2	-175	0	0	0	0	0	115.7	P775 G779	P775-G777 PolarHBondContact O-N 3.33Å; G777-G779 PolarHBondContact O-N 3.36Å; G777-G779 VanDerWaalsContact O-N 3.11Å
778	A	82.7	Confident	88.3	Confident	3 Å²	3	19.8 Å²	19.8	3%	0.025	13%	0.134	C	C	.	.	S	Bend	trans	-68	-4.1	179	0	0	0	0	0	116	P775 M948 G951	P775-A778 HydrophobicContact CG-CB 4.1Å; P775-A778 WeakPolarHBondContact O-CB 3.28Å; P775-A778 PolarHBondContact O-N 3.25Å; P775-A778 VanDerWaalsContact O-N 3.09Å; A778-M948 HydrophobicContact CB-CB 4.07Å; A778-M948 WeakPolarHBondContact CB-O 3.43Å; A778-G951 VanDerWaalsContact O-CA 3.27Å; A778-G951 WeakPolarHBondContact O-CA 3.24Å; A778-G951 PolarHBondContact O-N 3.38Å
779	G	84.6	Confident	88.2	Confident	4 Å²	4	18.6 Å²	18.6	4%	0.041	13%	0.128	C	C	.	.	S	Bend	trans	103.2	-0.8	-177.4	0	0	0	0	0	115.6	G777 T781 T782 L783	G777-G779 PolarHBondContact O-N 3.36Å; G777-G779 VanDerWaalsContact O-N 3.11Å; G779-T781 PolarHBondContact O-N 3.36Å; G779-T782 WeakPolarHBondContact O-CA 3.44Å; G779-T782 WeakPolarHBondContact O-CB 3.35Å; G779-T782 PolarHBondContact O-N 3.01Å; G779-L783 PolarHBondContact O-N 2.87Å; G779-L783 VanDerWaalsContact O-N 3.08Å
780	K	87.6	Confident	88.1	Confident	11 Å²	11	17.8 Å²	17.8	5%	0.048	12%	0.123	C	C	.	.	H	α-helix	trans	-51.7	-59.5	-175.8	-49.7	-165.7	-59.4	-83.6	0	113.8	I772 G774 P775 T782 L783 I784 E903 I932 M948	I772-K780 HydrophobicContact CG2-CB 4.1Å; I772-K780 HydrophobicContact CG2-CD 4.19Å; I772-K780 HydrophobicContact CG2-CG 3.97Å; G774-K780 PolarHBondContact O-NZ 2.81Å; P775-K780 PolarHBondContact O-NZ 2.77Å; K780-T782 PolarHBondContact O-N 3.01Å; K780-T782 VanDerWaalsContact O-N 3.11Å; K780-L783 WeakPolarHBondContact O-CB 3.37Å; K780-L783 PolarHBondContact O-N 3.03Å; K780-I784 PolarHBondContact O-N 3.43Å; K780-E903 IonicContact NZ-OE1 3.97Å; K780-I932 HydrophobicContact CB-CD1 3.75Å; K780-I932 HydrophobicContact CB-CG1 4.13Å; K780-I932 HydrophobicContact CB-CG2 4.27Å; K780-I932 HydrophobicContact CD-CG2 3.87Å; K780-M948 HydrophobicContact CG-SD 4.26Å
781	T	86	Confident	87.9	Confident	53 Å²	53	19.2 Å²	19.2	33%	0.325	13%	0.128	S	C	.	.	H	α-helix	trans	-60	-22.2	174.8	-43.2	0	0	0	0	112.9	G779 N785	G779-T781 PolarHBondContact O-N 3.36Å; T781-N785 PolarHBondContact O-N 3.19Å; T781-N785 PolarHBondContact O-ND2 2.68Å; T781-N785 PolarHBondContact O-OD1 3.33Å
782	T	89	Confident	87.8	Confident	9 Å²	9	21.5 Å²	21.5	6%	0.055	14%	0.141	C	C	.	.	H	α-helix	trans	-72.8	-40.8	174.9	-53.1	0	0	0	0	111.3	F748 Y750 L756 I757 G779 K780 I784 N785 L786	F748-T782 HydrophobicContact CD1-CG2 3.49Å; F748-T782 VanDerWaalsContact CD1-CG2 3.49Å; F748-T782 HydrophobicContact CE1-CG2 3.56Å; Y750-T782 HydrophobicContact CE2-CG2 3.85Å; Y750-T782 WeakPolarHBondContact CE2-OG1 3.28Å; Y750-T782 WeakPolarHBondContact OH-CA 3.33Å; Y750-T782 WeakPolarHBondContact OH-CB 3.2Å; Y750-T782 WeakPolarHBondContact OH-CG2 3.41Å; Y750-T782 PolarHBondContact OH-OG1 2.92Å; L756-T782 HydrophobicContact CD2-CG2 3.92Å; L756-T782 WeakPolarHBondContact CD2-OG1 3.41Å; I757-T782 HydrophobicContact CD1-CG2 4.1Å; G779-T782 WeakPolarHBondContact O-CA 3.44Å; G779-T782 WeakPolarHBondContact O-CB 3.35Å; G779-T782 PolarHBondContact O-N 3.01Å; K780-T782 PolarHBondContact O-N 3.01Å; K780-T782 VanDerWaalsContact O-N 3.11Å; T782-I784 VanDerWaalsContact C-N 3.26Å; T782-I784 PolarHBondContact O-N 3.05Å; T782-N785 WeakPolarHBondContact O-CB 3.41Å; T782-N785 PolarHBondContact O-N 3.38Å; T782-N785 VanDerWaalsContact O-N 3.11Å; T782-L786 HydrophobicContact CG2-CG 4.49Å; T782-L786 WeakPolarHBondContact O-CG 3.39Å; T782-L786 PolarHBondContact O-N 3.2Å
783	L	90.4	Very high	87.8	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.6	-41.8	174.2	-168.5	152.9	0	0	0	110.9	F743 L760 F762 I772 G779 K780 L786 L787 F930 L946 M948	F743-L783 HydrophobicContact CE1-CG 4.44Å; F743-L783 HydrophobicContact CZ-CD2 4.28Å; F743-L783 HydrophobicContact CZ-CG 4.24Å; L760-L783 HydrophobicContact CD2-CD1 4.24Å; F762-L783 HydrophobicContact CE1-CD1 4Å; F762-L783 HydrophobicContact CZ-CD1 4.08Å; I772-L783 HydrophobicContact CD1-CD2 3.86Å; G779-L783 PolarHBondContact O-N 2.87Å; G779-L783 VanDerWaalsContact O-N 3.08Å; K780-L783 WeakPolarHBondContact O-CB 3.37Å; K780-L783 PolarHBondContact O-N 3.03Å; L783-L786 PolarHBondContact O-N 2.87Å; L783-L787 HydrophobicContact CD2-CD1 3.75Å; L783-L787 HydrophobicContact CD2-CG 4.12Å; L783-L787 PolarHBondContact O-N 2.84Å; L783-F930 HydrophobicContact CD2-CD1 4.39Å; L783-L946 HydrophobicContact CD1-CD1 4.32Å; L783-M948 HydrophobicContact CD1-SD 4.44Å
784	I	90.2	Very high	87.8	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-59.9	-46.3	172.4	-61.9	-42.7	0	0	0	112.4	I772 K780 T782 L786 L787 M788 M819 I900 F930 I932	I772-I784 HydrophobicContact CD1-CD1 4.22Å; K780-I784 PolarHBondContact O-N 3.43Å; T782-I784 VanDerWaalsContact C-N 3.26Å; T782-I784 PolarHBondContact O-N 3.05Å; I784-L786 PolarHBondContact O-N 2.91Å; I784-L787 HydrophobicContact CD1-CD1 4.25Å; I784-L787 PolarHBondContact O-N 2.93Å; I784-M788 WeakPolarHBondContact O-CG 3.5Å; I784-M788 PolarHBondContact O-N 2.95Å; I784-M819 HydrophobicContact CG2-CE 4.19Å; I784-I900 HydrophobicContact CB-CG2 4.44Å; I784-I900 HydrophobicContact CD1-CD1 4.43Å; I784-I900 HydrophobicContact CD1-CG1 4.35Å; I784-I900 HydrophobicContact CD1-CG2 3.67Å; I784-I900 HydrophobicContact CG1-CG2 4.09Å; I784-I900 HydrophobicContact CG2-CD1 4.27Å; I784-I900 HydrophobicContact CG2-CG2 3.65Å; I784-F930 HydrophobicContact CD1-CB 4.43Å; I784-I932 HydrophobicContact CD1-CD1 4.34Å; I784-I932 HydrophobicContact CG1-CD1 3.6Å; I784-I932 HydrophobicContact CG1-CG1 4.37Å
785	N	90.4	Very high	88	Confident	5 Å²	5	29.4 Å²	29.4	3%	0.027	19%	0.186	C	C	.	.	H	α-helix	trans	-62.1	-29.8	177.3	-69.7	-21.7	0	0	0	113.1	Y750 T781 T782 R789 F790 Y791	Y750-N785 PolarHBondContact OH-ND2 3.37Å; T781-N785 PolarHBondContact O-N 3.19Å; T781-N785 PolarHBondContact O-ND2 2.68Å; T781-N785 PolarHBondContact O-OD1 3.33Å; T782-N785 WeakPolarHBondContact O-CB 3.41Å; T782-N785 PolarHBondContact O-N 3.38Å; T782-N785 VanDerWaalsContact O-N 3.11Å; N785-R789 PolarHBondContact O-N 2.72Å; N785-F790 HydrophobicContact CB-CB 4.39Å; N785-F790 HydrophobicContact CB-CD2 4.5Å; N785-F790 PolarHBondContact O-N 2.9Å; N785-Y791 HydrophobicContact CB-CD2 4.08Å; N785-Y791 PolarHBondContact O-N 2.9Å
786	L	92.7	Very high	88.6	Confident	2 Å²	2	28.1 Å²	28.1	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-78.3	-44	176.6	-66.6	179.3	0	0	0	112.4	V746 F748 I757 T782 L783 I784 M788 R789 I793 I798	V746-L786 HydrophobicContact CG1-CD1 4.27Å; F748-L786 HydrophobicContact CB-CD1 4.01Å; F748-L786 HydrophobicContact CB-CD2 4.36Å; F748-L786 HydrophobicContact CD1-CD1 4.39Å; F748-L786 HydrophobicContact CD1-CD2 4.21Å; F748-L786 HydrophobicContact CD2-CD2 3.78Å; F748-L786 HydrophobicContact CE2-CD2 4.13Å; F748-L786 HydrophobicContact CG-CD1 4.17Å; F748-L786 HydrophobicContact CG-CD2 3.82Å; F748-L786 HydrophobicContact CG-CG 4.48Å; F748-L786 HydrophobicContact CZ-CD2 4.48Å; I757-L786 HydrophobicContact CD1-CD1 3.74Å; T782-L786 HydrophobicContact CG2-CG 4.49Å; T782-L786 WeakPolarHBondContact O-CG 3.39Å; T782-L786 PolarHBondContact O-N 3.2Å; L783-L786 PolarHBondContact O-N 2.87Å; I784-L786 PolarHBondContact O-N 2.91Å; L786-M788 VanDerWaalsContact C-N 3.25Å; L786-M788 PolarHBondContact O-N 3.06Å; L786-R789 PolarHBondContact O-N 2.76Å; L786-I793 HydrophobicContact CD1-CG2 4.29Å; L786-I793 HydrophobicContact CD2-CG2 3.93Å; L786-I798 HydrophobicContact CB-CD1 3.96Å
787	L	93	Very high	89.4	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-52.6	-45.8	174.1	-81	173.9	0	0	0	111.8	V741 F743 L783 I784 R789 F817 I900 F930	V741-L787 HydrophobicContact CG1-CD2 3.91Å; F743-L787 HydrophobicContact CE2-CD2 3.62Å; F743-L787 HydrophobicContact CE2-CG 4.28Å; F743-L787 HydrophobicContact CZ-CD2 3.77Å; F743-L787 HydrophobicContact CZ-CG 3.98Å; L783-L787 HydrophobicContact CD2-CD1 3.75Å; L783-L787 HydrophobicContact CD2-CG 4.12Å; L783-L787 PolarHBondContact O-N 2.84Å; I784-L787 HydrophobicContact CD1-CD1 4.25Å; I784-L787 PolarHBondContact O-N 2.93Å; L787-R789 PolarHBondContact O-N 3.45Å; L787-F817 HydrophobicContact CB-CE1 4.11Å; L787-F817 HydrophobicContact CB-CZ 4.19Å; L787-F817 HydrophobicContact CD2-CE1 4.37Å; L787-F817 HydrophobicContact CD2-CZ 4.34Å; L787-I900 HydrophobicContact CB-CD1 3.95Å; L787-I900 HydrophobicContact CD1-CD1 3.97Å; L787-I900 HydrophobicContact CD1-CG1 4.29Å; L787-F930 HydrophobicContact CD1-CB 4.14Å; L787-F930 HydrophobicContact CD1-CD1 3.88Å; L787-F930 HydrophobicContact CD1-CD2 3.73Å; L787-F930 HydrophobicContact CD1-CE1 4.19Å; L787-F930 HydrophobicContact CD1-CE2 4.06Å; L787-F930 HydrophobicContact CD1-CG 3.63Å; L787-F930 HydrophobicContact CD1-CZ 4.27Å; L787-F930 HydrophobicContact CD2-CE2 4.21Å; L787-F930 HydrophobicContact CD2-CZ 4.21Å
788	M	91.4	Very high	90.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-0.2	-177.7	-65.8	-66.9	-60.5	0	0	114.2	A77 I784 L786 F790 R814 F817 M819 I900	A77-M788 HydrophobicContact CB-CE 3.52Å; I784-M788 WeakPolarHBondContact O-CG 3.5Å; I784-M788 PolarHBondContact O-N 2.95Å; L786-M788 VanDerWaalsContact C-N 3.25Å; L786-M788 PolarHBondContact O-N 3.06Å; M788-F790 HydrophobicContact CB-CD1 4.26Å; M788-F790 HydrophobicContact CB-CD2 4.05Å; M788-F790 HydrophobicContact CB-CE1 4.13Å; M788-F790 HydrophobicContact CB-CE2 3.93Å; M788-F790 HydrophobicContact CB-CG 4.2Å; M788-F790 HydrophobicContact CB-CZ 3.96Å; M788-F790 HydrophobicContact CE-CZ 4.32Å; M788-F790 HydrophobicContact CG-CE2 4.39Å; M788-F790 HydrophobicContact CG-CZ 4.46Å; M788-F790 PolarHBondContact O-N 2.91Å; M788-F790 VanDerWaalsContact O-N 3.17Å; M788-R814 HydrophobicContact CE-CB 4.34Å; M788-R814 HydrophobicContact CE-CG 4.14Å; M788-R814 PolarHBondContact O-NE 2.98Å; M788-F817 HydrophobicContact CE-CB 4.02Å; M788-F817 HydrophobicContact SD-CB 3.39Å; M788-F817 WeakPolarHBondContact SD-CB 3.33Å; M788-F817 HydrophobicContact SD-CD1 3.82Å; M788-F817 HydrophobicContact SD-CD2 3.74Å; M788-F817 HydrophobicContact SD-CE1 4.48Å; M788-F817 HydrophobicContact SD-CE2 4.45Å; M788-F817 HydrophobicContact SD-CG 3.38Å; M788-F817 WeakPolarHBondContact SD-CG 3.39Å; M788-M819 HydrophobicContact CB-CE 4.37Å; M788-M819 HydrophobicContact CE-CE 3.81Å; M788-M819 HydrophobicContact CG-CE 3.42Å; M788-M819 VanDerWaalsContact CG-CE 3.42Å; M788-M819 HydrophobicContact SD-CE 3.89Å; M788-I900 HydrophobicContact CG-CD1 3.53Å; M788-I900 HydrophobicContact SD-CD1 3.66Å
789	R	92.2	Very high	90.8	Very high	11 Å²	11	26.1 Å²	26.1	4%	0.042	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	44.3	-174.8	-157.9	174.2	169.7	-153.5	-5.4	111.8	N727 N785 L786 L787 D792 T805 Q806 M808 R810 R814	N727-R789 PolarHBondContact OD1-NH2 3.32Å; N785-R789 PolarHBondContact O-N 2.72Å; L786-R789 PolarHBondContact O-N 2.76Å; L787-R789 PolarHBondContact O-N 3.45Å; R789-D792 IonicContact CZ-OD1 2.76Å; R789-D792 IonicContact NE-OD1 3.79Å; R789-D792 PolarHBondContact NE-OD1 2.89Å; R789-D792 IonicContact NH2-OD1 3.45Å; R789-D792 PolarHBondContact NH2-OD1 3.29Å; R789-T805 WeakPolarHBondContact CD-O 3.44Å; R789-T805 PolarHBondContact NH1-O 3.14Å; R789-Q806 PolarHBondContact NH1-O 3.26Å; R789-Q806 PolarHBondContact NH2-O 3.31Å; R789-M808 PolarHBondContact NH1-O 3.01Å; R789-R810 PolarHBondContact O-NH1 2.77Å; R789-R814 PolarHBondContact O-NH2 2.75Å; R789-R814 VanDerWaalsContact O-NH2 3.16Å
790	F	91.1	Very high	91.2	Very high	4 Å²	4	26 Å²	26	2%	0.018	14%	0.138	C	C	.	.	S	Bend	trans	-73.7	-24.9	162.7	-65.4	-29.2	0	0	0	110.6	R73 R76 A77 V510 N785 M788 M819	R73-F790 HydrophobicContact CB-CE2 3.82Å; R73-F790 HydrophobicContact CB-CZ 3.87Å; R73-F790 HydrophobicContact CG-CD2 4.28Å; R73-F790 HydrophobicContact CG-CE2 3.98Å; R73-F790 HydrophobicContact CG-CZ 4.34Å; R73-F790 VanDerWaalsContact O-CZ 3.26Å; R73-F790 WeakPolarHBondContact O-CZ 3.16Å; R76-F790 HydrophobicContact CB-CE1 3.95Å; A77-F790 HydrophobicContact CB-CZ 4.46Å; V510-F790 HydrophobicContact CB-CB 4.4Å; V510-F790 HydrophobicContact CG2-CB 3.94Å; V510-F790 HydrophobicContact CG2-CD1 4.17Å; V510-F790 HydrophobicContact CG2-CG 4.19Å; N785-F790 HydrophobicContact CB-CB 4.39Å; N785-F790 HydrophobicContact CB-CD2 4.5Å; N785-F790 PolarHBondContact O-N 2.9Å; M788-F790 HydrophobicContact CB-CD1 4.26Å; M788-F790 HydrophobicContact CB-CD2 4.05Å; M788-F790 HydrophobicContact CB-CE1 4.13Å; M788-F790 HydrophobicContact CB-CE2 3.93Å; M788-F790 HydrophobicContact CB-CG 4.2Å; M788-F790 HydrophobicContact CB-CZ 3.96Å; M788-F790 HydrophobicContact CE-CZ 4.32Å; M788-F790 HydrophobicContact CG-CE2 4.39Å; M788-F790 HydrophobicContact CG-CZ 4.46Å; M788-F790 PolarHBondContact O-N 2.91Å; M788-F790 VanDerWaalsContact O-N 3.17Å; F790-M819 HydrophobicContact CE2-CE 3.83Å; F790-M819 HydrophobicContact CZ-CE 3.99Å
791	Y	91	Very high	91.5	Very high	30 Å²	30	27.1 Å²	27.1	12%	0.118	14%	0.144	C	C	.	.	S	Bend	trans	-134.3	139.3	170.2	-71.3	-97.9	0	0	0	108.7	V510 S511 D514 F748 Y750 N785	V510-Y791 HydrophobicContact CB-CE2 4.28Å; V510-Y791 HydrophobicContact CG1-CE2 4.25Å; S511-Y791 VanDerWaalsContact CA-OH 3.3Å; S511-Y791 WeakPolarHBondContact CA-OH 3.31Å; D514-Y791 PolarHBondContact OD2-OH 2.75Å; F748-Y791 HydrophobicContact CE2-CD1 4.17Å; F748-Y791 HydrophobicContact CE2-CG 4.29Å; F748-Y791 AromaticContact CZ-CD1 3.71Å; F748-Y791 HydrophobicContact CZ-CD1 3.71Å; F748-Y791 AromaticContact CZ-CG 3.83Å; F748-Y791 HydrophobicContact CZ-CG 3.83Å; Y750-Y791 AromaticContact CD1-CD1 3.95Å; Y750-Y791 HydrophobicContact CD1-CD1 3.95Å; Y750-Y791 AromaticContact CD1-CE1 3.53Å; Y750-Y791 HydrophobicContact CD1-CE1 3.53Å; Y750-Y791 HydrophobicContact CD1-CE2 4.32Å; Y750-Y791 HydrophobicContact CD1-CG 4.48Å; Y750-Y791 AromaticContact CD1-CZ 3.74Å; Y750-Y791 HydrophobicContact CE1-CD1 4.03Å; Y750-Y791 AromaticContact CE1-CD2 3.95Å; Y750-Y791 HydrophobicContact CE1-CD2 3.95Å; Y750-Y791 AromaticContact CE1-CE1 3.76Å; Y750-Y791 HydrophobicContact CE1-CE1 3.76Å; Y750-Y791 AromaticContact CE1-CE2 3.7Å; Y750-Y791 HydrophobicContact CE1-CE2 3.7Å; Y750-Y791 HydrophobicContact CE1-CG 4.11Å; Y750-Y791 AromaticContact CE1-CZ 3.59Å; N785-Y791 HydrophobicContact CB-CD2 4.08Å; N785-Y791 PolarHBondContact O-N 2.9Å
792	D	89.3	Confident	91.6	Very high	48 Å²	48	27.3 Å²	27.3	26%	0.257	16%	0.157	S	C	.	.			trans	-82.4	149.7	169	-67	-81.2	0	0	0	111	F748 R789 R810	F748-D792 WeakPolarHBondContact CD2-O 3.43Å; F748-D792 WeakPolarHBondContact CE2-O 3.25Å; R789-D792 IonicContact CZ-OD1 2.76Å; R789-D792 IonicContact NE-OD1 3.79Å; R789-D792 PolarHBondContact NE-OD1 2.89Å; R789-D792 IonicContact NH2-OD1 3.45Å; R789-D792 PolarHBondContact NH2-OD1 3.29Å; D792-R810 IonicContact OD1-NH2 3.96Å; D792-R810 IonicContact OD2-CZ 2.7Å; D792-R810 IonicContact OD2-NH1 3.31Å; D792-R810 IonicContact OD2-NH2 3.14Å; D792-R810 PolarHBondContact OD2-NH2 2.99Å
793	I	92	Very high	91.8	Very high	16 Å²	16	28.7 Å²	28.7	8%	0.082	17%	0.166	C	C	.	.			trans	-70.3	150.9	175.8	60	178.4	0	0	0	111.2	V746 L786 G796 I798 Q806	V746-I793 HydrophobicContact CG1-CB 4.18Å; V746-I793 HydrophobicContact CG1-CG2 3.53Å; V746-I793 HydrophobicContact CG2-CD1 4.35Å; L786-I793 HydrophobicContact CD1-CG2 4.29Å; L786-I793 HydrophobicContact CD2-CG2 3.93Å; I793-G796 WeakPolarHBondContact CD1-O 3.34Å; I793-I798 HydrophobicContact CG2-CD1 3.79Å; I793-I798 HydrophobicContact CG2-CG1 4.34Å; I793-Q806 HydrophobicContact CG1-CG 4.47Å
794	N	89.7	Confident	91.9	Very high	97 Å²	97	29.2 Å²	29.2	52%	0.519	17%	0.168	S	C	.	.	S	Bend	trans	-82.1	-30.6	175.7	-61.6	138.5	0	0	0	112.5	Q747 F748 S749	Q747-N794 PolarHBondContact O-N 3.44Å; F748-N794 WeakPolarHBondContact CA-OD1 3.26Å; S749-N794 PolarHBondContact N-OD1 3.38Å; S749-N794 PolarHBondContact OG-OD1 2.96Å
795	S	90.8	Very high	92	Very high	60 Å²	60	29.3 Å²	29.3	42%	0.42	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	168.6	177	-169.9	0	0	0	0	109.6	V746 Q747	V746-S795 WeakPolarHBondContact CA-O 3.22Å; Q747-S795 PolarHBondContact N-O 2.8Å; Q747-S795 PolarHBondContact O-N 2.99Å
796	G	92.9	Very high	91.9	Very high	26 Å²	26	31.8 Å²	31.8	27%	0.268	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	84	-162.1	-171.7	0	0	0	0	0	112.8	D744 H745 I793	D744-G796 CarbonylContact O-C 3.55Å; D744-G796 WeakPolarHBondContact O-CA 3.48Å; H745-G796 VanDerWaalsContact O-CA 3.24Å; H745-G796 WeakPolarHBondContact O-CA 3.37Å; I793-G796 WeakPolarHBondContact CD1-O 3.34Å
797	R	94.3	Very high	91.8	Very high	135 Å²	135	35.7 Å²	35.7	51%	0.509	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	146.9	176.4	-58.9	-179.9	-175.6	176.9	0.2	110.8	D744 V746 L799	D744-R797 HydrophobicContact CB-CB 4.35Å; D744-R797 PolarHBondContact N-O 3.29Å; D744-R797 PolarHBondContact O-N 2.92Å; V746-R797 VanDerWaalsContact CG2-O 3.23Å; V746-R797 WeakPolarHBondContact CG2-O 3.45Å; R797-L799 HydrophobicContact CB-CD2 4.14Å; R797-L799 HydrophobicContact CB-CG 4.49Å
798	I	94.9	Very high	91.7	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	118.5	163.5	-60.8	171.6	0	0	0	105.8	V742 F743 V746 L786 I793 N804 T805	V742-I798 CarbonylContact O-C 3.56Å; V742-I798 WeakPolarHBondContact O-CA 3.39Å; F743-I798 HydrophobicContact CD1-CD1 4.17Å; F743-I798 HydrophobicContact CD1-CG1 3.93Å; F743-I798 HydrophobicContact CE1-CD1 3.58Å; F743-I798 HydrophobicContact CE1-CG1 3.85Å; F743-I798 HydrophobicContact CE2-CG2 4.23Å; F743-I798 HydrophobicContact CG-CG1 4.37Å; F743-I798 HydrophobicContact CZ-CD1 3.9Å; F743-I798 HydrophobicContact CZ-CG1 4.21Å; F743-I798 HydrophobicContact CZ-CG2 4.37Å; V746-I798 HydrophobicContact CG2-CG1 3.79Å; L786-I798 HydrophobicContact CB-CD1 3.96Å; I793-I798 HydrophobicContact CG2-CD1 3.79Å; I793-I798 HydrophobicContact CG2-CG1 4.34Å; I798-N804 CarbonylContact O-C 3.46Å; I798-N804 WeakPolarHBondContact O-CA 3.24Å; I798-N804 PolarHBondContact O-OD1 3.13Å; I798-T805 HydrophobicContact CB-CG2 4.4Å; I798-T805 HydrophobicContact CG2-CG2 4Å; I798-T805 PolarHBondContact O-N 2.93Å; I798-T805 PolarHBondContact O-OG1 3.11Å
799	L	94.2	Very high	91.6	Very high	34 Å²	34	37.9 Å²	37.9	18%	0.178	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	132.2	-179.4	-48.2	170.9	0	0	0	109.2	V741 V742 R797 V803 N804	V741-L799 WeakPolarHBondContact CA-O 3.33Å; V742-L799 HydrophobicContact CB-CB 4.17Å; V742-L799 HydrophobicContact CB-CD1 4.32Å; V742-L799 PolarHBondContact N-O 2.91Å; V742-L799 PolarHBondContact O-N 3.34Å; R797-L799 HydrophobicContact CB-CD2 4.14Å; R797-L799 HydrophobicContact CB-CG 4.49Å; L799-V803 CarbonylContact C-O 3.5Å; L799-V803 VanDerWaalsContact CA-O 3.26Å; L799-V803 WeakPolarHBondContact CA-O 3.34Å; L799-N804 HydrophobicContact CD2-CB 3.93Å
800	I	93.1	Very high	91.5	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	123	164.9	-60.8	175.3	0	0	0	107.3	N740 V741 G802 V803 T805 M808 V813 L816 F817 I898	N740-I800 WeakPolarHBondContact O-CA 3.47Å; V741-I800 HydrophobicContact CG2-CG1 4.46Å; I800-G802 PolarHBondContact O-N 2.89Å; I800-V803 PolarHBondContact N-O 3.43Å; I800-V803 PolarHBondContact O-N 3.3Å; I800-T805 HydrophobicContact CB-CG2 4.48Å; I800-T805 HydrophobicContact CD1-CG2 3.58Å; I800-T805 HydrophobicContact CG1-CG2 3.64Å; I800-M808 HydrophobicContact CB-CE 4.25Å; I800-V813 HydrophobicContact CD1-CG1 4.35Å; I800-L816 HydrophobicContact CD1-CD1 4.33Å; I800-L816 HydrophobicContact CG2-CD1 3.93Å; I800-F817 HydrophobicContact CD1-CE2 3.85Å; I800-F817 HydrophobicContact CD1-CZ 3.93Å; I800-I898 HydrophobicContact CD1-CD1 4.12Å; I800-I898 HydrophobicContact CG1-CD1 4.43Å; I800-I898 HydrophobicContact CG2-CD1 4Å
801	D	92.2	Very high	91.4	Very high	34 Å²	34	40.7 Å²	40.7	18%	0.182	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	36.6	-173.6	-68.3	-38.5	0	0	0	114	P734 V737 Q738 G739 N740	P734-D801 HydrophobicContact CB-CB 4.1Å; P734-D801 HydrophobicContact CG-CB 4.07Å; V737-D801 WeakPolarHBondContact CG1-OD2 3.43Å; Q738-D801 PolarHBondContact N-OD2 2.97Å; G739-D801 PolarHBondContact N-OD1 2.68Å; G739-D801 PolarHBondContact N-OD2 3.45Å; N740-D801 WeakPolarHBondContact CB-OD1 3.44Å; N740-D801 PolarHBondContact N-OD1 2.94Å; N740-D801 PolarHBondContact ND2-OD1 3.44Å; N740-D801 PolarHBondContact O-N 3.07Å
802	G	89.8	Confident	91.3	Very high	58 Å²	58	41.9 Å²	41.9	60%	0.598	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.2	-3.9	177.7	0	0	0	0	0	115.9	I800	I800-G802 PolarHBondContact O-N 2.89Å
803	V	92	Very high	91.5	Very high	38 Å²	38	39.6 Å²	39.6	23%	0.23	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	136.8	178.3	-179.7	0	0	0	0	110.1	L731 P734 L799 I800 M808	L731-V803 HydrophobicContact CB-CG1 4.25Å; L731-V803 HydrophobicContact CD1-CG1 3.75Å; P734-V803 HydrophobicContact CG-CB 4.46Å; P734-V803 HydrophobicContact CG-CG2 4.17Å; L799-V803 CarbonylContact C-O 3.5Å; L799-V803 VanDerWaalsContact CA-O 3.26Å; L799-V803 WeakPolarHBondContact CA-O 3.34Å; I800-V803 PolarHBondContact N-O 3.43Å; I800-V803 PolarHBondContact O-N 3.3Å; V803-M808 HydrophobicContact CB-CE 3.48Å; V803-M808 VanDerWaalsContact CB-CE 3.48Å; V803-M808 HydrophobicContact CG1-CE 3.56Å; V803-M808 HydrophobicContact CG1-CG 4.15Å; V803-M808 WeakPolarHBondContact O-CE 3.25Å
804	N	92.6	Very high	91.5	Very high	10 Å²	10	39.1 Å²	39.1	5%	0.053	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	128.2	-176.8	-176.9	6.9	0	0	0	111.8	I798 L799 Q806 E807 M808	I798-N804 CarbonylContact O-C 3.46Å; I798-N804 WeakPolarHBondContact O-CA 3.24Å; I798-N804 PolarHBondContact O-OD1 3.13Å; L799-N804 HydrophobicContact CD2-CB 3.93Å; N804-Q806 PolarHBondContact O-N 3.03Å; N804-Q806 PolarHBondContact OD1-N 3.17Å; N804-E807 HydrophobicContact CB-CB 4.31Å; N804-E807 HydrophobicContact CB-CG 4.09Å; N804-E807 WeakPolarHBondContact CB-OE1 3.34Å; N804-E807 PolarHBondContact ND2-OE1 3.07Å; N804-E807 WeakPolarHBondContact O-CB 3.29Å; N804-E807 PolarHBondContact O-N 3.34Å; N804-M808 PolarHBondContact O-N 3.41Å
805	T	91.8	Very high	91.5	Very high	4 Å²	4	37.5 Å²	37.5	3%	0.025	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-21.8	179.8	59.9	0	0	0	0	113.3	R789 I798 I800 E807 V813	R789-T805 WeakPolarHBondContact CD-O 3.44Å; R789-T805 PolarHBondContact NH1-O 3.14Å; I798-T805 HydrophobicContact CB-CG2 4.4Å; I798-T805 HydrophobicContact CG2-CG2 4Å; I798-T805 PolarHBondContact O-N 2.93Å; I798-T805 PolarHBondContact O-OG1 3.11Å; I800-T805 HydrophobicContact CB-CG2 4.48Å; I800-T805 HydrophobicContact CD1-CG2 3.58Å; I800-T805 HydrophobicContact CG1-CG2 3.64Å; T805-E807 VanDerWaalsContact C-N 3.32Å; T805-V813 HydrophobicContact CG2-CG1 4.4Å; T805-V813 HydrophobicContact CG2-CG2 4.5Å
806	Q	89.5	Confident	91.6	Very high	56 Å²	56	35.1 Å²	35.1	26%	0.262	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-29.4	171.9	-63.6	-172.1	-63.6	0	0	112.4	N727 R789 I793 N804	N727-Q806 PolarHBondContact ND2-O 2.91Å; N727-Q806 PolarHBondContact OD1-O 2.88Å; N727-Q806 VanDerWaalsContact OD1-O 3.11Å; R789-Q806 PolarHBondContact NH1-O 3.26Å; R789-Q806 PolarHBondContact NH2-O 3.31Å; I793-Q806 HydrophobicContact CG1-CG 4.47Å; N804-Q806 PolarHBondContact O-N 3.03Å; N804-Q806 PolarHBondContact OD1-N 3.17Å
807	E	90.1	Very high	91.6	Very high	84 Å²	84	34.1 Å²	34.1	39%	0.393	19%	0.188	S	C	.	.	S	Bend	trans	-88.1	-5.5	-179	-66	161.8	-146.9	0	0	112.8	L731 N804 T805	L731-E807 HydrophobicContact CD1-CB 3.84Å; L731-E807 WeakPolarHBondContact CD1-OE2 3.48Å; L731-E807 HydrophobicContact CG-CB 4.22Å; L731-E807 PolarHBondContact N-O 3.39Å; N804-E807 HydrophobicContact CB-CB 4.31Å; N804-E807 HydrophobicContact CB-CG 4.09Å; N804-E807 WeakPolarHBondContact CB-OE1 3.34Å; N804-E807 PolarHBondContact ND2-OE1 3.07Å; N804-E807 WeakPolarHBondContact O-CB 3.29Å; N804-E807 PolarHBondContact O-N 3.34Å; T805-E807 VanDerWaalsContact C-N 3.32Å
808	M	90.7	Very high	91.5	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-96.3	161.9	175.2	-63	177.6	-174.8	0	0	112.2	N727 D730 P734 R789 I800 V803 N804 V813	N727-M808 PolarHBondContact ND2-O 3.48Å; D730-M808 VanDerWaalsContact OD1-C 3.26Å; P734-M808 HydrophobicContact CG-CE 4.33Å; R789-M808 PolarHBondContact NH1-O 3.01Å; I800-M808 HydrophobicContact CB-CE 4.25Å; V803-M808 HydrophobicContact CB-CE 3.48Å; V803-M808 VanDerWaalsContact CB-CE 3.48Å; V803-M808 HydrophobicContact CG1-CE 3.56Å; V803-M808 HydrophobicContact CG1-CG 4.15Å; V803-M808 WeakPolarHBondContact O-CE 3.25Å; N804-M808 PolarHBondContact O-N 3.41Å; M808-V813 HydrophobicContact CB-CG2 3.59Å; M808-V813 HydrophobicContact CG-CG2 4.28Å; M808-V813 HydrophobicContact SD-CG2 3.69Å
809	N	90.3	Very high	91.3	Very high	46 Å²	46	27.9 Å²	27.9	25%	0.246	17%	0.165	C	C	.	.			trans	-66.4	140.3	167.7	-165.4	-75.9	0	0	0	110.6	D730 S811 D812 V813	D730-N809 HydrophobicContact CB-CB 4.21Å; D730-N809 WeakPolarHBondContact OD1-CA 3.31Å; D730-N809 PolarHBondContact OD1-N 3.3Å; D730-N809 WeakPolarHBondContact OD2-CB 3.45Å; D730-N809 PolarHBondContact OD2-ND2 3.03Å; N809-S811 VanDerWaalsContact C-N 3.28Å; N809-S811 PolarHBondContact O-N 2.92Å; N809-S811 VanDerWaalsContact OD1-CB 3.27Å; N809-S811 WeakPolarHBondContact OD1-CB 3.32Å; N809-S811 PolarHBondContact OD1-N 3.21Å; N809-S811 PolarHBondContact OD1-OG 2.93Å; N809-D812 HydrophobicContact CB-CB 4Å; N809-D812 WeakPolarHBondContact O-CB 3.46Å; N809-D812 PolarHBondContact O-N 2.75Å; N809-V813 WeakPolarHBondContact O-CG2 3.04Å; N809-V813 PolarHBondContact O-N 2.92Å
810	R	88.9	Confident	91.2	Very high	29 Å²	29	26.3 Å²	26.3	11%	0.109	16%	0.157	C	C	.	.	H	α-helix	trans	-60.8	-36.3	178.3	-65.9	179	-176.9	-113.7	-9.9	113.1	E724 R789 D792 R814	E724-R810 IonicContact OE1-NH1 2.79Å; E724-R810 WeakPolarHBondContact OE2-CD 3.45Å; E724-R810 IonicContact OE2-CZ 3.48Å; E724-R810 VanDerWaalsContact OE2-CZ 3.29Å; E724-R810 IonicContact OE2-NE 2.91Å; E724-R810 PolarHBondContact OE2-NE 3.47Å; E724-R810 IonicContact OE2-NH1 3.31Å; E724-R810 PolarHBondContact OE2-NH1 3.47Å; R789-R810 PolarHBondContact O-NH1 2.77Å; D792-R810 IonicContact OD1-NH2 3.96Å; D792-R810 IonicContact OD2-CZ 2.7Å; D792-R810 IonicContact OD2-NH1 3.31Å; D792-R810 IonicContact OD2-NH2 3.14Å; D792-R810 PolarHBondContact OD2-NH2 2.99Å; R810-R814 WeakPolarHBondContact O-CB 3.35Å; R810-R814 WeakPolarHBondContact O-CD 3.41Å; R810-R814 WeakPolarHBondContact O-CG 3.34Å; R810-R814 PolarHBondContact O-N 3.13Å
811	S	89.1	Confident	90.9	Very high	45 Å²	45	27.8 Å²	27.8	32%	0.315	16%	0.164	S	C	.	.	H	α-helix	trans	-66.3	-43	179	-45.6	0	0	0	0	110.4	N809 R814 S815	N809-S811 VanDerWaalsContact C-N 3.28Å; N809-S811 PolarHBondContact O-N 2.92Å; N809-S811 VanDerWaalsContact OD1-CB 3.27Å; N809-S811 WeakPolarHBondContact OD1-CB 3.32Å; N809-S811 PolarHBondContact OD1-N 3.21Å; N809-S811 PolarHBondContact OD1-OG 2.93Å; S811-R814 PolarHBondContact O-N 3.17Å; S811-S815 WeakPolarHBondContact O-CB 3.48Å; S811-S815 PolarHBondContact O-N 3.32Å
812	D	90.1	Very high	90.3	Very high	56 Å²	56	29.6 Å²	29.6	30%	0.299	17%	0.172	S	C	.	.	H	α-helix	trans	-63.5	-48.3	177.1	-69.5	-3.3	0	0	0	110.8	L733 N809 R814 S815	L733-D812 HydrophobicContact CD1-CB 3.88Å; L733-D812 HydrophobicContact CD2-CB 3.93Å; L733-D812 HydrophobicContact CG-CB 3.76Å; N809-D812 HydrophobicContact CB-CB 4Å; N809-D812 WeakPolarHBondContact O-CB 3.46Å; N809-D812 PolarHBondContact O-N 2.75Å; D812-R814 PolarHBondContact O-N 3.43Å; D812-S815 PolarHBondContact O-N 2.88Å; D812-S815 PolarHBondContact O-OG 2.85Å
813	V	91.8	Very high	89.6	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-54.5	-53	173.6	175.2	0	0	0	0	110.2	I800 T805 M808 N809 S815 L816 F817	I800-V813 HydrophobicContact CD1-CG1 4.35Å; T805-V813 HydrophobicContact CG2-CG1 4.4Å; T805-V813 HydrophobicContact CG2-CG2 4.5Å; M808-V813 HydrophobicContact CB-CG2 3.59Å; M808-V813 HydrophobicContact CG-CG2 4.28Å; M808-V813 HydrophobicContact SD-CG2 3.69Å; N809-V813 WeakPolarHBondContact O-CG2 3.04Å; N809-V813 PolarHBondContact O-N 2.92Å; V813-S815 VanDerWaalsContact C-N 3.33Å; V813-S815 PolarHBondContact O-N 3.32Å; V813-L816 WeakPolarHBondContact O-CB 3.38Å; V813-L816 PolarHBondContact O-N 3.14Å; V813-F817 HydrophobicContact CG1-CE2 3.98Å; V813-F817 WeakPolarHBondContact O-CD2 3.3Å
814	R	92.6	Very high	89.2	Confident	5 Å²	5	31.9 Å²	31.9	2%	0.019	17%	0.171	C	C	.	.	H	α-helix	trans	-63.5	-35.9	-176	-69.3	168.2	-171.8	162.8	5.3	112.5	R76 V79 E81 E724 M788 R789 R810 S811 D812 L816 F817	R76-R814 VanDerWaalsContact O-CD 3.3Å; R76-R814 WeakPolarHBondContact O-CD 3.38Å; V79-R814 HydrophobicContact CG2-CB 4.04Å; E81-R814 IonicContact OE1-NH1 3.19Å; E724-R814 IonicContact OE1-NH2 2.9Å; E724-R814 IonicContact OE2-NH2 3.82Å; E724-R814 PolarHBondContact OE2-NH2 3Å; M788-R814 HydrophobicContact CE-CB 4.34Å; M788-R814 HydrophobicContact CE-CG 4.14Å; M788-R814 PolarHBondContact O-NE 2.98Å; R789-R814 PolarHBondContact O-NH2 2.75Å; R789-R814 VanDerWaalsContact O-NH2 3.16Å; R810-R814 WeakPolarHBondContact O-CB 3.35Å; R810-R814 WeakPolarHBondContact O-CD 3.41Å; R810-R814 WeakPolarHBondContact O-CG 3.34Å; R810-R814 PolarHBondContact O-N 3.13Å; S811-R814 PolarHBondContact O-N 3.17Å; D812-R814 PolarHBondContact O-N 3.43Å; R814-L816 PolarHBondContact O-N 3.27Å; R814-F817 PolarHBondContact O-N 3.47Å
815	S	90.3	Very high	89.1	Confident	63 Å²	63	32.5 Å²	32.5	44%	0.441	17%	0.172	S	C	.	.	H	α-helix	trans	-62.5	-20.5	177.5	76.1	0	0	0	0	114.6	S811 D812 V813 F817	S811-S815 WeakPolarHBondContact O-CB 3.48Å; S811-S815 PolarHBondContact O-N 3.32Å; D812-S815 PolarHBondContact O-N 2.88Å; D812-S815 PolarHBondContact O-OG 2.85Å; V813-S815 VanDerWaalsContact C-N 3.33Å; V813-S815 PolarHBondContact O-N 3.32Å; S815-F817 VanDerWaalsContact C-N 3.25Å; S815-F817 PolarHBondContact O-N 2.98Å
816	L	92	Very high	89	Confident	11 Å²	11	32.9 Å²	32.9	6%	0.058	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-19.8	173.4	-58.4	-175.7	0	0	0	113.1	L733 V737 I800 V813 R814 K897 I898	L733-L816 HydrophobicContact CD2-CD1 3.86Å; L733-L816 HydrophobicContact CD2-CD2 3.89Å; L733-L816 HydrophobicContact CD2-CG 3.98Å; V737-L816 HydrophobicContact CB-CD2 4.43Å; V737-L816 HydrophobicContact CG1-CD1 4.34Å; V737-L816 HydrophobicContact CG1-CD2 4.04Å; V737-L816 HydrophobicContact CG2-CD2 3.73Å; I800-L816 HydrophobicContact CD1-CD1 4.33Å; I800-L816 HydrophobicContact CG2-CD1 3.93Å; V813-L816 WeakPolarHBondContact O-CB 3.38Å; V813-L816 PolarHBondContact O-N 3.14Å; R814-L816 PolarHBondContact O-N 3.27Å; L816-K897 PolarHBondContact O-N 2.93Å; L816-I898 PolarHBondContact O-N 3.27Å
817	F	93.3	Very high	89	Confident	4 Å²	4	30.7 Å²	30.7	2%	0.018	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	139.1	-172.4	-66.8	-94.2	0	0	0	113.1	L787 M788 I800 V813 R814 S815 I898 I900	L787-F817 HydrophobicContact CB-CE1 4.11Å; L787-F817 HydrophobicContact CB-CZ 4.19Å; L787-F817 HydrophobicContact CD2-CE1 4.37Å; L787-F817 HydrophobicContact CD2-CZ 4.34Å; M788-F817 HydrophobicContact CE-CB 4.02Å; M788-F817 HydrophobicContact SD-CB 3.39Å; M788-F817 WeakPolarHBondContact SD-CB 3.33Å; M788-F817 HydrophobicContact SD-CD1 3.82Å; M788-F817 HydrophobicContact SD-CD2 3.74Å; M788-F817 HydrophobicContact SD-CE1 4.48Å; M788-F817 HydrophobicContact SD-CE2 4.45Å; M788-F817 HydrophobicContact SD-CG 3.38Å; M788-F817 WeakPolarHBondContact SD-CG 3.39Å; I800-F817 HydrophobicContact CD1-CE2 3.85Å; I800-F817 HydrophobicContact CD1-CZ 3.93Å; V813-F817 HydrophobicContact CG1-CE2 3.98Å; V813-F817 WeakPolarHBondContact O-CD2 3.3Å; R814-F817 PolarHBondContact O-N 3.47Å; S815-F817 VanDerWaalsContact C-N 3.25Å; S815-F817 PolarHBondContact O-N 2.98Å; F817-I898 CarbonylContact C-O 3.56Å; F817-I898 VanDerWaalsContact CA-O 3.23Å; F817-I898 WeakPolarHBondContact CA-O 3.48Å; F817-I898 HydrophobicContact CD1-CB 3.72Å; F817-I898 HydrophobicContact CD1-CG2 3.58Å; F817-I898 HydrophobicContact CE1-CB 3.76Å; F817-I898 HydrophobicContact CE1-CD1 4.12Å; F817-I898 HydrophobicContact CE1-CG2 3.32Å; F817-I898 HydrophobicContact CE2-CD1 4.38Å; F817-I898 HydrophobicContact CG-CB 4.36Å; F817-I898 HydrophobicContact CZ-CB 4.39Å; F817-I898 HydrophobicContact CZ-CD1 3.92Å; F817-I898 HydrophobicContact CZ-CG2 4.21Å; F817-I900 HydrophobicContact CD1-CD1 3.64Å; F817-I900 HydrophobicContact CD1-CG1 3.92Å; F817-I900 HydrophobicContact CE1-CD1 3.9Å; F817-I900 HydrophobicContact CE1-CG1 4.31Å; F817-I900 HydrophobicContact CG-CD1 4.49Å
818	G	92.2	Very high	89	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	142.5	156.3	0	0	0	0	0	108.9	I898 I900	G818-I898 PolarHBondContact N-O 2.76Å; G818-I900 PolarHBondContact O-N 2.8Å
819	M	91.2	Very high	89	Confident	7 Å²	7	31.8 Å²	31.8	3%	0.034	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	129.9	-177.2	179.8	-176.5	-80.9	0	0	111.9	A77 I784 M788 F790 L821 I900	A77-M819 HydrophobicContact CB-CB 4.14Å; A77-M819 HydrophobicContact CB-CE 4.34Å; A77-M819 HydrophobicContact CB-SD 3.94Å; I784-M819 HydrophobicContact CG2-CE 4.19Å; M788-M819 HydrophobicContact CB-CE 4.37Å; M788-M819 HydrophobicContact CE-CE 3.81Å; M788-M819 HydrophobicContact CG-CE 3.42Å; M788-M819 VanDerWaalsContact CG-CE 3.42Å; M788-M819 HydrophobicContact SD-CE 3.89Å; F790-M819 HydrophobicContact CE2-CE 3.83Å; F790-M819 HydrophobicContact CZ-CE 3.99Å; M819-L821 HydrophobicContact CE-CD2 4.41Å; M819-L821 HydrophobicContact CG-CD2 3.9Å; M819-L821 HydrophobicContact CG-CG 3.92Å; M819-L821 HydrophobicContact SD-CD1 4.02Å; M819-L821 HydrophobicContact SD-CD2 3.49Å; M819-L821 WeakPolarHBondContact SD-CD2 3.28Å; M819-L821 HydrophobicContact SD-CG 3.64Å; M819-I900 WeakPolarHBondContact CA-O 3.25Å; M819-I900 HydrophobicContact CG-CG2 4.46Å
820	V	90.9	Very high	89.2	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	111.9	165.9	-172.1	0	0	0	0	107.7	I888 A891 I900 L901 D902 A904	V820-I888 HydrophobicContact CG1-CG1 4.16Å; V820-I888 HydrophobicContact CG2-CG1 4.06Å; V820-A891 HydrophobicContact CG2-CB 3.87Å; V820-I900 PolarHBondContact N-O 3.39Å; V820-L901 HydrophobicContact CB-CD2 3.7Å; V820-L901 HydrophobicContact CG2-CD2 3.62Å; V820-D902 PolarHBondContact O-N 3.36Å; V820-A904 HydrophobicContact CB-CB 4.28Å; V820-A904 HydrophobicContact CG1-CB 3.7Å
821	L	86.7	Confident	89.4	Confident	32 Å²	32	29.2 Å²	29.2	17%	0.168	16%	0.163	C	C	.	.			trans	-88.7	157.1	178.2	-68.2	178.9	0	0	0	112	R73 V74 M819 D902	R73-L821 HydrophobicContact CB-CD1 4.28Å; V74-L821 HydrophobicContact CG2-CD1 3.57Å; V74-L821 HydrophobicContact CG2-CG 4.41Å; M819-L821 HydrophobicContact CE-CD2 4.41Å; M819-L821 HydrophobicContact CG-CD2 3.9Å; M819-L821 HydrophobicContact CG-CG 3.92Å; M819-L821 HydrophobicContact SD-CD1 4.02Å; M819-L821 HydrophobicContact SD-CD2 3.49Å; M819-L821 WeakPolarHBondContact SD-CD2 3.28Å; M819-L821 HydrophobicContact SD-CG 3.64Å; L821-D902 CarbonylContact C-O 3.59Å; L821-D902 HydrophobicContact CD2-CB 4.35Å
822	Q	79.5	Confident	89.8	Confident	72 Å²	72	27.3 Å²	27.3	34%	0.336	15%	0.15	S	C	.	.	S	Bend	trans	-54.8	-53.5	173.4	179.4	168.7	33	0	0	111.5	A824 D902 E903 S906	Q822-A824 PolarHBondContact O-N 3.27Å; Q822-D902 VanDerWaalsContact CA-O 3.26Å; Q822-D902 WeakPolarHBondContact CA-O 3.09Å; Q822-D902 PolarHBondContact N-O 3.2Å; Q822-E903 HydrophobicContact CB-CB 4.17Å; Q822-E903 HydrophobicContact CG-CB 4.13Å; Q822-E903 PolarHBondContact NE2-OE2 2.83Å; Q822-S906 PolarHBondContact NE2-OG 3.24Å
823	D	75.5	Confident	90	Very high	135 Å²	135	27.4 Å²	27.4	72%	0.722	15%	0.15	S	C	*	.	S	Bend	trans	-80.9	94.5	170.3	-70.4	-36.7	0	0	0	109.1	W825	D823-W825 PolarHBondContact O-N 2.99Å
824	A	85	Confident	90.1	Very high	10 Å²	10	27.4 Å²	27.4	8%	0.083	15%	0.15	C	C	.	.			trans	-67.4	95.1	-179.2	0	0	0	0	0	111.8	Q822 K883 Q884 T887	Q822-A824 PolarHBondContact O-N 3.27Å; A824-K883 HydrophobicContact CB-CB 3.78Å; A824-Q884 HydrophobicContact CB-CG 3.91Å; A824-T887 HydrophobicContact CB-CG2 4.04Å
825	W	89.5	Confident	90.2	Very high	22 Å²	22	27.1 Å²	27.1	8%	0.083	15%	0.15	C	C	.	.			trans	-81.6	129	177.9	179	89	0	0	0	112.6	E67 G71 V74 I75 D823 Y827 F837 R890	E67-W825 HydrophobicContact CG-CZ2 3.66Å; E67-W825 PolarHBondContact O-NE1 3.22Å; E67-W825 VanDerWaalsContact O-NE1 3.14Å; G71-W825 VanDerWaalsContact CA-NE1 3.33Å; V74-W825 HydrophobicContact CB-CE3 3.86Å; V74-W825 HydrophobicContact CB-CZ3 4.33Å; V74-W825 HydrophobicContact CG1-CE3 3.71Å; V74-W825 HydrophobicContact CG1-CZ3 4.04Å; V74-W825 HydrophobicContact CG2-CB 4.2Å; V74-W825 HydrophobicContact CG2-CE3 4.42Å; I75-W825 HydrophobicContact CD1-CH2 3.96Å; I75-W825 HydrophobicContact CD1-CZ2 4.08Å; I75-W825 HydrophobicContact CG1-CH2 3.68Å; I75-W825 HydrophobicContact CG1-CZ2 4.28Å; I75-W825 HydrophobicContact CG1-CZ3 4.18Å; D823-W825 PolarHBondContact O-N 2.99Å; W825-Y827 HydrophobicContact CH2-CD1 4.4Å; W825-Y827 HydrophobicContact CH2-CG 4.47Å; W825-Y827 HydrophobicContact CZ3-CD1 4.42Å; W825-F837 HydrophobicContact CH2-CZ 4.21Å; W825-F837 HydrophobicContact CZ3-CE1 4.03Å; W825-F837 HydrophobicContact CZ3-CZ 4.02Å; W825-R890 PolarHBondContact O-NH1 3.08Å
826	L	90.7	Very high	90.5	Very high	13 Å²	13	26.8 Å²	26.8	7%	0.068	14%	0.139	C	C	.	.			trans	-127.1	151.3	171.8	-58	-178.8	0	0	0	107.6	N834 I871 K883 L886 T887	L826-N834 VanDerWaalsContact CA-OD1 3.3Å; L826-N834 WeakPolarHBondContact CA-OD1 3.46Å; L826-N834 WeakPolarHBondContact CB-OD1 3.21Å; L826-N834 HydrophobicContact CD2-CB 4.43Å; L826-I871 HydrophobicContact CB-CD1 4.31Å; L826-I871 HydrophobicContact CB-CG2 4.43Å; L826-I871 HydrophobicContact CD1-CD1 3.67Å; L826-K883 HydrophobicContact CD1-CB 4.1Å; L826-K883 HydrophobicContact CD1-CG 3.86Å; L826-L886 HydrophobicContact CD1-CB 4.4Å; L826-L886 HydrophobicContact CD1-CD1 3.73Å; L826-L886 HydrophobicContact CD2-CB 4.16Å; L826-T887 HydrophobicContact CD2-CG2 4.01Å
827	Y	89.2	Confident	90.7	Very high	9 Å²	9	26.3 Å²	26.3	4%	0.035	14%	0.136	C	C	.	.			trans	-106.6	160.9	-178.2	74.7	-96.7	0	0	0	111.8	F83 W825 G829 D833 N834 F837	F83-Y827 HydrophobicContact CE1-CE2 4.46Å; W825-Y827 HydrophobicContact CH2-CD1 4.4Å; W825-Y827 HydrophobicContact CH2-CG 4.47Å; W825-Y827 HydrophobicContact CZ3-CD1 4.42Å; Y827-G829 PolarHBondContact O-N 3.35Å; Y827-G829 VanDerWaalsContact O-N 3.15Å; Y827-D833 VanDerWaalsContact OH-C 3.32Å; Y827-D833 VanDerWaalsContact OH-CB 3.28Å; Y827-D833 WeakPolarHBondContact OH-CB 3.13Å; Y827-D833 PolarHBondContact OH-O 3.39Å; Y827-N834 WeakPolarHBondContact CD1-OD1 2.95Å; Y827-N834 PolarHBondContact N-OD1 3.1Å; Y827-N834 PolarHBondContact O-ND2 3.21Å; Y827-F837 AromaticContact CD1-CD2 3.85Å; Y827-F837 HydrophobicContact CD1-CD2 3.85Å; Y827-F837 HydrophobicContact CD1-CE2 4.25Å; Y827-F837 HydrophobicContact CD1-CG 4.36Å; Y827-F837 HydrophobicContact CE1-CB 3.99Å; Y827-F837 AromaticContact CE1-CD2 3.37Å; Y827-F837 HydrophobicContact CE1-CD2 3.37Å; Y827-F837 HydrophobicContact CE1-CE2 4.12Å; Y827-F837 AromaticContact CE1-CG 3.94Å; Y827-F837 HydrophobicContact CE1-CG 3.94Å
828	E	89	Confident	90.6	Very high	89 Å²	89	26.6 Å²	26.6	42%	0.416	14%	0.14	S	C	.	.	S	Bend	trans	-67	108.2	178.8	-170.5	174.4	147.6	0	0	110.9	E67 R87 I871 S873	E67-E828 VanDerWaalsContact OE2-CB 3.28Å; E67-E828 WeakPolarHBondContact OE2-CB 3.3Å; E67-E828 PolarHBondContact OE2-N 2.73Å; R87-E828 PolarHBondContact NH2-O 3.12Å; E828-I871 WeakPolarHBondContact CA-O 3.48Å; E828-S873 WeakPolarHBondContact OE2-CB 3.44Å; E828-S873 PolarHBondContact OE2-OG 2.82Å
829	G	90.9	Very high	90.7	Very high	19 Å²	19	31.1 Å²	31.1	20%	0.196	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.5	-174.7	-171.5	0	0	0	0	0	111.4	Y827 E870 I871	Y827-G829 PolarHBondContact O-N 3.35Å; Y827-G829 VanDerWaalsContact O-N 3.15Å; G829-E870 WeakPolarHBondContact O-CA 3.33Å; G829-I871 PolarHBondContact N-O 2.85Å; G829-I871 PolarHBondContact O-N 3.06Å
830	T	94.1	Very high	90.8	Very high	18 Å²	18	34 Å²	34	11%	0.11	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	160.7	179.3	73.8	0	0	0	0	111.7	G832 D833 N834 Y867 M869	T830-G832 PolarHBondContact O-N 2.87Å; T830-G832 PolarHBondContact OG1-N 3.4Å; T830-D833 PolarHBondContact O-N 3.41Å; T830-D833 WeakPolarHBondContact OG1-CB 3.47Å; T830-D833 PolarHBondContact OG1-N 2.97Å; T830-D833 PolarHBondContact OG1-OD2 3.48Å; T830-N834 PolarHBondContact O-N 2.98Å; T830-N834 PolarHBondContact O-ND2 2.89Å; T830-N834 VanDerWaalsContact O-ND2 3.11Å; T830-Y867 WeakPolarHBondContact CB-O 3.41Å; T830-M869 CarbonylContact C-O 3.53Å; T830-M869 WeakPolarHBondContact CA-O 3.14Å
831	I	94.4	Very high	90.9	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-58.3	-40.4	168.7	-69.1	176.8	0	0	0	110.4	N834 I835 I860 Y867 M869 I871 L886	I831-N834 PolarHBondContact O-N 2.83Å; I831-I835 HydrophobicContact CG2-CD1 4.36Å; I831-I835 PolarHBondContact O-N 3.26Å; I831-I835 VanDerWaalsContact O-N 3.16Å; I831-I860 HydrophobicContact CD1-CG2 4.35Å; I831-I860 HydrophobicContact CG2-CD1 3.62Å; I831-I860 HydrophobicContact CG2-CG1 3.87Å; I831-I860 HydrophobicContact CG2-CG2 4.06Å; I831-Y867 PolarHBondContact N-O 3.48Å; I831-Y867 VanDerWaalsContact N-O 3.16Å; I831-M869 HydrophobicContact CD1-CB 3.9Å; I831-M869 HydrophobicContact CD1-CG 4.39Å; I831-M869 HydrophobicContact CD1-SD 4.17Å; I831-M869 HydrophobicContact CG1-CB 4.29Å; I831-M869 PolarHBondContact N-O 3.06Å; I831-I871 HydrophobicContact CG1-CD1 4.02Å; I831-I871 HydrophobicContact CG1-CG1 4.05Å; I831-L886 HydrophobicContact CG2-CD1 4.37Å; I831-L886 HydrophobicContact CG2-CD2 3.66Å
832	G	95.9	Very high	91.3	Very high	4 Å²	4	41.1 Å²	41.1	4%	0.041	21%	0.205	C	C	.	.	H	α-helix	trans	-58.8	-46.9	177.3	0	0	0	0	0	112.7	T830 N834 I835 R836 Y867	T830-G832 PolarHBondContact O-N 2.87Å; T830-G832 PolarHBondContact OG1-N 3.4Å; G832-N834 VanDerWaalsContact C-N 3.34Å; G832-N834 PolarHBondContact O-N 2.93Å; G832-I835 PolarHBondContact O-N 2.99Å; G832-R836 WeakPolarHBondContact O-CB 3.42Å; G832-R836 PolarHBondContact O-N 3.21Å; G832-Y867 PolarHBondContact N-O 2.71Å
833	D	94.4	Very high	92.1	Very high	58 Å²	58	41.1 Å²	41.1	31%	0.31	21%	0.21	S	C	.	.	H	α-helix	trans	-70	-31.4	-179.9	-58.7	-41.3	0	0	0	112.4	Y827 T830 R836 F837	Y827-D833 VanDerWaalsContact OH-C 3.32Å; Y827-D833 VanDerWaalsContact OH-CB 3.28Å; Y827-D833 WeakPolarHBondContact OH-CB 3.13Å; Y827-D833 PolarHBondContact OH-O 3.39Å; T830-D833 PolarHBondContact O-N 3.41Å; T830-D833 WeakPolarHBondContact OG1-CB 3.47Å; T830-D833 PolarHBondContact OG1-N 2.97Å; T830-D833 PolarHBondContact OG1-OD2 3.48Å; D833-R836 PolarHBondContact O-N 3.32Å; D833-F837 PolarHBondContact O-N 2.59Å
834	N	94.4	Very high	93	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.5	-33.8	173.9	-96.3	-82.9	0	0	0	113.5	L826 Y827 T830 I831 G832 F837 I871 R890	L826-N834 VanDerWaalsContact CA-OD1 3.3Å; L826-N834 WeakPolarHBondContact CA-OD1 3.46Å; L826-N834 WeakPolarHBondContact CB-OD1 3.21Å; L826-N834 HydrophobicContact CD2-CB 4.43Å; Y827-N834 WeakPolarHBondContact CD1-OD1 2.95Å; Y827-N834 PolarHBondContact N-OD1 3.1Å; Y827-N834 PolarHBondContact O-ND2 3.21Å; T830-N834 PolarHBondContact O-N 2.98Å; T830-N834 PolarHBondContact O-ND2 2.89Å; T830-N834 VanDerWaalsContact O-ND2 3.11Å; I831-N834 PolarHBondContact O-N 2.83Å; G832-N834 VanDerWaalsContact C-N 3.34Å; G832-N834 PolarHBondContact O-N 2.93Å; N834-F837 WeakPolarHBondContact O-CB 3.47Å; N834-I871 HydrophobicContact CB-CD1 4.32Å; N834-R890 PolarHBondContact O-NE 3.38Å; N834-R890 PolarHBondContact O-NH2 2.98Å; N834-R890 PolarHBondContact OD1-NH2 3.3Å
835	I	95.9	Very high	93.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-74.3	-48.9	170.6	-64.1	173.3	0	0	0	109.2	I831 G832 F837 G838 V847 A850 A851 I860 Y867 L886 A889 I893	I831-I835 HydrophobicContact CG2-CD1 4.36Å; I831-I835 PolarHBondContact O-N 3.26Å; I831-I835 VanDerWaalsContact O-N 3.16Å; G832-I835 PolarHBondContact O-N 2.99Å; I835-F837 PolarHBondContact O-N 3.21Å; I835-G838 PolarHBondContact O-N 3.26Å; I835-V847 HydrophobicContact CB-CG1 4.08Å; I835-V847 HydrophobicContact CD1-CG1 4.37Å; I835-V847 HydrophobicContact CG2-CG1 4.08Å; I835-A850 HydrophobicContact CG2-CB 4.37Å; I835-A851 HydrophobicContact CD1-CB 3.96Å; I835-I860 HydrophobicContact CD1-CD1 4.03Å; I835-Y867 HydrophobicContact CD1-CE1 4.34Å; I835-L886 HydrophobicContact CD1-CD2 3.95Å; I835-L886 HydrophobicContact CG1-CD2 4.16Å; I835-A889 HydrophobicContact CD1-CB 4.05Å; I835-A889 HydrophobicContact CG1-CB 4.07Å; I835-A889 HydrophobicContact CG2-CB 4.18Å; I835-I893 HydrophobicContact CG2-CD1 4.21Å; I835-I893 HydrophobicContact CG2-CG2 4.3Å; I835-I893 VanDerWaalsContact O-CG2 3.32Å; I835-I893 WeakPolarHBondContact O-CG2 3.32Å
836	R	96.4	Very high	93.9	Very high	56 Å²	56	49.4 Å²	49.4	21%	0.211	24%	0.241	C	C	.	.	H	α-helix	trans	-56.8	-21.1	179.1	-157.4	-172.1	-51.9	-113.2	-0.1	113.5	G832 D833 G838 R839 L840 A842 D844 V847	G832-R836 WeakPolarHBondContact O-CB 3.42Å; G832-R836 PolarHBondContact O-N 3.21Å; D833-R836 PolarHBondContact O-N 3.32Å; R836-G838 PolarHBondContact O-N 3.36Å; R836-R839 CarbonylContact O-C 3.54Å; R836-R839 WeakPolarHBondContact O-CA 3.38Å; R836-R839 PolarHBondContact O-N 2.58Å; R836-L840 WeakPolarHBondContact CD-O 3.41Å; R836-L840 PolarHBondContact O-N 3.27Å; R836-A842 HydrophobicContact CG-CB 4.4Å; R836-A842 PolarHBondContact NH1-O 3.19Å; R836-D844 IonicContact CZ-OD1 3.82Å; R836-D844 IonicContact NH1-OD1 3.62Å; R836-D844 PolarHBondContact NH1-OD1 3.17Å; R836-D844 IonicContact NH2-OD1 3.5Å; R836-D844 PolarHBondContact NH2-OD1 2.75Å; R836-V847 HydrophobicContact CB-CG2 4.01Å; R836-V847 HydrophobicContact CG-CG2 4.21Å
837	F	94.5	Very high	94.2	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-31.5	169.2	-156.8	-101.7	0	0	0	113.7	V74 I75 F78 N80 F83 W825 Y827 D833 N834 I835 R839 R890	V74-F837 HydrophobicContact CG1-CE1 4.32Å; I75-F837 HydrophobicContact CB-CZ 4.45Å; I75-F837 HydrophobicContact CG1-CZ 3.95Å; F78-F837 HydrophobicContact CB-CD1 4.16Å; F78-F837 HydrophobicContact CB-CE1 4.11Å; F78-F837 HydrophobicContact CD2-CD1 4.18Å; F78-F837 HydrophobicContact CD2-CE1 4.34Å; F78-F837 HydrophobicContact CG-CD1 4.33Å; N80-F837 HydrophobicContact CB-CE1 4.01Å; N80-F837 HydrophobicContact CB-CE2 3.83Å; N80-F837 HydrophobicContact CB-CZ 3.47Å; N80-F837 VanDerWaalsContact CB-CZ 3.47Å; N80-F837 WeakPolarHBondContact ND2-CD1 3.42Å; N80-F837 WeakPolarHBondContact ND2-CD2 3.15Å; N80-F837 WeakPolarHBondContact ND2-CE1 3.38Å; N80-F837 WeakPolarHBondContact ND2-CE2 3.36Å; N80-F837 WeakPolarHBondContact ND2-CG 3.39Å; N80-F837 VanDerWaalsContact ND2-CZ 3.31Å; N80-F837 WeakPolarHBondContact ND2-CZ 3.25Å; N80-F837 PolarHBondContact ND2-O 3.3Å; F83-F837 HydrophobicContact CD1-CD2 4.42Å; F83-F837 AromaticContact CD1-CE2 3.94Å; F83-F837 HydrophobicContact CD1-CE2 3.94Å; F83-F837 HydrophobicContact CE1-CD2 4.18Å; F83-F837 HydrophobicContact CE1-CE2 4.01Å; W825-F837 HydrophobicContact CH2-CZ 4.21Å; W825-F837 HydrophobicContact CZ3-CE1 4.03Å; W825-F837 HydrophobicContact CZ3-CZ 4.02Å; Y827-F837 AromaticContact CD1-CD2 3.85Å; Y827-F837 HydrophobicContact CD1-CD2 3.85Å; Y827-F837 HydrophobicContact CD1-CE2 4.25Å; Y827-F837 HydrophobicContact CD1-CG 4.36Å; Y827-F837 HydrophobicContact CE1-CB 3.99Å; Y827-F837 AromaticContact CE1-CD2 3.37Å; Y827-F837 HydrophobicContact CE1-CD2 3.37Å; Y827-F837 HydrophobicContact CE1-CE2 4.12Å; Y827-F837 AromaticContact CE1-CG 3.94Å; Y827-F837 HydrophobicContact CE1-CG 3.94Å; D833-F837 PolarHBondContact O-N 2.59Å; N834-F837 WeakPolarHBondContact O-CB 3.47Å; I835-F837 PolarHBondContact O-N 3.21Å; F837-R839 PolarHBondContact O-N 3.46Å; F837-R890 HydrophobicContact CB-CG 4.37Å
838	G	92.8	Very high	94.5	Very high	10 Å²	10	50 Å²	50	10%	0.103	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-28	176.8	0	0	0	0	0	113.5	I835 R836 S894	I835-G838 PolarHBondContact O-N 3.26Å; R836-G838 PolarHBondContact O-N 3.36Å; G838-S894 WeakPolarHBondContact O-CA 3.36Å; G838-S894 WeakPolarHBondContact O-CB 3.48Å
839	R	94.2	Very high	94.9	Very high	95 Å²	95	49.3 Å²	49.3	36%	0.358	25%	0.245	S	C	.	.			trans	-158.6	99.5	173.5	-179.6	163.8	57.8	100.1	-5.2	109.4	R836 F837 E841 A842 E846 I893	R836-R839 CarbonylContact O-C 3.54Å; R836-R839 WeakPolarHBondContact O-CA 3.38Å; R836-R839 PolarHBondContact O-N 2.58Å; F837-R839 PolarHBondContact O-N 3.46Å; R839-E841 PolarHBondContact O-N 2.85Å; R839-E841 VanDerWaalsContact O-N 3.07Å; R839-A842 HydrophobicContact CB-CB 4.31Å; R839-A842 HydrophobicContact CG-CB 4.41Å; R839-A842 WeakPolarHBondContact O-CB 3.23Å; R839-A842 PolarHBondContact O-N 3.42Å; R839-E846 IonicContact CZ-OE1 3.8Å; R839-E846 IonicContact NH1-OE1 3.56Å; R839-E846 PolarHBondContact NH1-OE1 3.24Å; R839-E846 IonicContact NH2-OE1 3.29Å; R839-E846 PolarHBondContact NH2-OE1 3.28Å; R839-I893 PolarHBondContact NE-O 3.42Å; R839-I893 VanDerWaalsContact NE-O 3.13Å
840	L	92.7	Very high	95.1	Very high	69 Å²	69	48.5 Å²	48.5	36%	0.361	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-27.8	-171.1	-64.4	176.7	0	0	0	114.3	N80 F83 R836 A842	N80-L840 VanDerWaalsContact OD1-CD1 3.27Å; N80-L840 WeakPolarHBondContact OD1-CD1 3.38Å; F83-L840 HydrophobicContact CB-CD1 3.76Å; F83-L840 HydrophobicContact CD2-CD1 3.85Å; F83-L840 HydrophobicContact CD2-CD2 4.02Å; F83-L840 HydrophobicContact CE2-CD2 4.09Å; F83-L840 HydrophobicContact CG-CD1 3.93Å; F83-L840 HydrophobicContact CG-CD2 4.29Å; F83-L840 HydrophobicContact CZ-CD2 4.42Å; R836-L840 WeakPolarHBondContact CD-O 3.41Å; R836-L840 PolarHBondContact O-N 3.27Å; L840-A842 VanDerWaalsContact C-N 3.32Å
841	E	92.8	Very high	95.2	Very high	179 Å²	179	47.7 Å²	47.7	84%	0.836	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-7.7	177.5	-57.8	-169.6	164.3	0	0	114.2	R839	R839-E841 PolarHBondContact O-N 2.85Å; R839-E841 VanDerWaalsContact O-N 3.07Å
842	A	94.8	Very high	95.2	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.008	25%	0.252	C	S	.	.			trans	-64	141.3	-176.6	0	0	0	0	0	111.7	R836 R839 L840 E846 I893	R836-A842 HydrophobicContact CG-CB 4.4Å; R836-A842 PolarHBondContact NH1-O 3.19Å; R839-A842 HydrophobicContact CB-CB 4.31Å; R839-A842 HydrophobicContact CG-CB 4.41Å; R839-A842 WeakPolarHBondContact O-CB 3.23Å; R839-A842 PolarHBondContact O-N 3.42Å; L840-A842 VanDerWaalsContact C-N 3.32Å; A842-E846 HydrophobicContact CB-CB 4.19Å; A842-I893 HydrophobicContact CB-CD1 3.49Å; A842-I893 VanDerWaalsContact CB-CD1 3.49Å; A842-I893 HydrophobicContact CB-CG1 3.92Å
843	T	96.1	Very high	95	Very high	72 Å²	72	54.4 Å²	54.4	44%	0.442	26%	0.263	S	S	.	.			trans	-78.1	161.9	179.1	62.9	0	0	0	0	112	Y845 E846 V847	T843-Y845 PolarHBondContact O-N 3.16Å; T843-Y845 VanDerWaalsContact O-N 3.13Å; T843-E846 WeakPolarHBondContact CB-OE2 3.49Å; T843-E846 WeakPolarHBondContact CG2-OE2 3.12Å; T843-E846 PolarHBondContact N-OE2 2.9Å; T843-E846 PolarHBondContact O-N 3.22Å; T843-E846 WeakPolarHBondContact OG1-CG 3.27Å; T843-E846 PolarHBondContact OG1-N 3.27Å; T843-E846 PolarHBondContact OG1-OE2 2.92Å; T843-V847 PolarHBondContact O-N 3Å
844	D	95	Very high	94.9	Very high	108 Å²	108	51.7 Å²	51.7	58%	0.578	25%	0.249	S	C	*	.	H	α-helix	trans	-57.3	-30.8	176.8	-51.7	-27.5	0	0	0	112.3	R836 V848	R836-D844 IonicContact CZ-OD1 3.82Å; R836-D844 IonicContact NH1-OD1 3.62Å; R836-D844 PolarHBondContact NH1-OD1 3.17Å; R836-D844 IonicContact NH2-OD1 3.5Å; R836-D844 PolarHBondContact NH2-OD1 2.75Å; D844-V848 VanDerWaalsContact O-CG2 3.29Å; D844-V848 WeakPolarHBondContact O-CG2 3.34Å; D844-V848 PolarHBondContact O-N 3.29Å; D844-V848 VanDerWaalsContact O-N 3.1Å
845	Y	96.1	Very high	94.7	Very high	173 Å²	173	53.5 Å²	53.5	68%	0.678	26%	0.258	S	S	*	.	H	α-helix	trans	-64.2	-47	174.3	177.6	-90.7	0	0	0	111.7	T843 V847 V848 D849	T843-Y845 PolarHBondContact O-N 3.16Å; T843-Y845 VanDerWaalsContact O-N 3.13Å; Y845-V847 VanDerWaalsContact C-N 3.35Å; Y845-V848 PolarHBondContact O-N 2.82Å; Y845-D849 WeakPolarHBondContact O-CB 3.39Å; Y845-D849 PolarHBondContact O-N 2.97Å
846	E	96.6	Very high	94.4	Very high	60 Å²	60	53.6 Å²	53.6	28%	0.28	26%	0.259	S	S	.	.	H	α-helix	trans	-67.2	-35	179.1	-68.5	164	112.8	0	0	111.7	R839 A842 T843 D849 A850 I893	R839-E846 IonicContact CZ-OE1 3.8Å; R839-E846 IonicContact NH1-OE1 3.56Å; R839-E846 PolarHBondContact NH1-OE1 3.24Å; R839-E846 IonicContact NH2-OE1 3.29Å; R839-E846 PolarHBondContact NH2-OE1 3.28Å; A842-E846 HydrophobicContact CB-CB 4.19Å; T843-E846 WeakPolarHBondContact CB-OE2 3.49Å; T843-E846 WeakPolarHBondContact CG2-OE2 3.12Å; T843-E846 PolarHBondContact N-OE2 2.9Å; T843-E846 PolarHBondContact O-N 3.22Å; T843-E846 WeakPolarHBondContact OG1-CG 3.27Å; T843-E846 PolarHBondContact OG1-N 3.27Å; T843-E846 PolarHBondContact OG1-OE2 2.92Å; E846-D849 PolarHBondContact O-N 2.88Å; E846-A850 WeakPolarHBondContact O-CB 3.37Å; E846-A850 PolarHBondContact O-N 3.22Å; E846-I893 HydrophobicContact CB-CD1 4.33Å; E846-I893 HydrophobicContact CB-CG1 4.49Å
847	V	96.8	Very high	94.3	Very high	4 Å²	4	52 Å²	52	2%	0.024	26%	0.255	C	S	.	.	H	α-helix	trans	-60.8	-47.6	172.2	171	0	0	0	0	111.5	I835 R836 T843 Y845 D849 A851 Y867 I893	I835-V847 HydrophobicContact CB-CG1 4.08Å; I835-V847 HydrophobicContact CD1-CG1 4.37Å; I835-V847 HydrophobicContact CG2-CG1 4.08Å; R836-V847 HydrophobicContact CB-CG2 4.01Å; R836-V847 HydrophobicContact CG-CG2 4.21Å; T843-V847 PolarHBondContact O-N 3Å; Y845-V847 VanDerWaalsContact C-N 3.35Å; V847-D849 VanDerWaalsContact C-N 3.35Å; V847-A851 WeakPolarHBondContact O-CB 3.4Å; V847-A851 PolarHBondContact O-N 2.89Å; V847-Y867 HydrophobicContact CG1-CD1 4.14Å; V847-Y867 HydrophobicContact CG1-CE1 4.15Å; V847-I893 HydrophobicContact CB-CD1 4.34Å; V847-I893 HydrophobicContact CG2-CD1 3.72Å
848	V	96.8	Very high	94.1	Very high	30 Å²	30	58.3 Å²	58.3	18%	0.182	28%	0.284	C	S	.	.	H	α-helix	trans	-67.5	-35.5	177.7	172	0	0	0	0	111.6	D844 Y845 A851 K852 Y867	D844-V848 VanDerWaalsContact O-CG2 3.29Å; D844-V848 WeakPolarHBondContact O-CG2 3.34Å; D844-V848 PolarHBondContact O-N 3.29Å; D844-V848 VanDerWaalsContact O-N 3.1Å; Y845-V848 PolarHBondContact O-N 2.82Å; V848-A851 PolarHBondContact O-N 3.34Å; V848-K852 HydrophobicContact CG1-CD 4.35Å; V848-K852 WeakPolarHBondContact O-CG 3.47Å; V848-K852 PolarHBondContact O-N 3.28Å; V848-Y867 HydrophobicContact CG2-CD2 4.45Å; V848-Y867 HydrophobicContact CG2-CE1 4.21Å; V848-Y867 HydrophobicContact CG2-CE2 3.91Å
849	D	96.3	Very high	93.7	Very high	75 Å²	75	60.3 Å²	60.3	40%	0.401	29%	0.29	S	S	.	.	H	α-helix	trans	-68.8	-45.1	178.3	-165.3	68.6	0	0	0	112.1	Y845 E846 V847 A851 K852 T853	Y845-D849 WeakPolarHBondContact O-CB 3.39Å; Y845-D849 PolarHBondContact O-N 2.97Å; E846-D849 PolarHBondContact O-N 2.88Å; V847-D849 VanDerWaalsContact C-N 3.35Å; D849-A851 VanDerWaalsContact C-N 3.32Å; D849-A851 PolarHBondContact O-N 2.98Å; D849-K852 PolarHBondContact O-N 2.8Å; D849-K852 VanDerWaalsContact O-N 3.16Å; D849-T853 PolarHBondContact O-N 3.48Å; D849-T853 PolarHBondContact O-OG1 3.04Å
850	A	95.4	Very high	93.6	Very high	3 Å²	3	56 Å²	56	3%	0.025	27%	0.274	C	S	.	.	H	α-helix	trans	-59.6	-42.1	172.4	0	0	0	0	0	111.7	I835 E846 K852 T853 A854 I892 I893	I835-A850 HydrophobicContact CG2-CB 4.37Å; E846-A850 WeakPolarHBondContact O-CB 3.37Å; E846-A850 PolarHBondContact O-N 3.22Å; A850-K852 PolarHBondContact O-N 3Å; A850-T853 PolarHBondContact O-N 2.96Å; A850-A854 WeakPolarHBondContact O-CB 3.31Å; A850-A854 PolarHBondContact O-N 3.17Å; A850-I892 HydrophobicContact CB-CB 4.38Å; A850-I892 HydrophobicContact CB-CG2 4.06Å; A850-I893 HydrophobicContact CB-CB 3.81Å; A850-I893 HydrophobicContact CB-CD1 4.45Å; A850-I893 HydrophobicContact CB-CG1 4.22Å
851	A	95.7	Very high	93.6	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-65	-33.1	175.6	0	0	0	0	0	113.8	I835 V847 V848 D849 N855 V856 D857 I860 Y867	I835-A851 HydrophobicContact CD1-CB 3.96Å; V847-A851 WeakPolarHBondContact O-CB 3.4Å; V847-A851 PolarHBondContact O-N 2.89Å; V848-A851 PolarHBondContact O-N 3.34Å; D849-A851 VanDerWaalsContact C-N 3.32Å; D849-A851 PolarHBondContact O-N 2.98Å; A851-N855 PolarHBondContact O-N 3.09Å; A851-V856 HydrophobicContact CB-CG1 3.88Å; A851-V856 WeakPolarHBondContact O-CG1 3.35Å; A851-V856 PolarHBondContact O-N 3.35Å; A851-D857 HydrophobicContact CB-CB 4.2Å; A851-D857 PolarHBondContact O-N 3.23Å; A851-I860 HydrophobicContact CB-CD1 4.06Å; A851-Y867 HydrophobicContact CB-CE1 3.97Å; A851-Y867 WeakPolarHBondContact CB-OH 3.48Å
852	K	94.7	Very high	93.3	Very high	105 Å²	105	55.4 Å²	55.4	46%	0.457	27%	0.269	S	S	.	.	H	α-helix	trans	-71	-42.8	172.2	-75.4	171.2	-177.7	172.3	0	111.6	V848 D849 A850 A854 N855 D857	V848-K852 HydrophobicContact CG1-CD 4.35Å; V848-K852 WeakPolarHBondContact O-CG 3.47Å; V848-K852 PolarHBondContact O-N 3.28Å; D849-K852 PolarHBondContact O-N 2.8Å; D849-K852 VanDerWaalsContact O-N 3.16Å; A850-K852 PolarHBondContact O-N 3Å; K852-A854 VanDerWaalsContact C-N 3.3Å; K852-A854 PolarHBondContact O-N 3.19Å; K852-N855 PolarHBondContact O-N 3.38Å; K852-D857 HydrophobicContact CB-CB 4.46Å; K852-D857 HydrophobicContact CG-CB 3.61Å
853	T	92.3	Very high	92.9	Very high	45 Å²	45	57.2 Å²	57.2	28%	0.276	28%	0.278	S	S	.	.	H	α-helix	trans	-61.8	-40.8	178	-56.5	0	0	0	0	110.7	D849 A850 N855 I892 R922	D849-T853 PolarHBondContact O-N 3.48Å; D849-T853 PolarHBondContact O-OG1 3.04Å; A850-T853 PolarHBondContact O-N 2.96Å; T853-N855 PolarHBondContact O-N 3.33Å; T853-I892 HydrophobicContact CG2-CD1 3.87Å; T853-I892 HydrophobicContact CG2-CG2 4.27Å; T853-R922 HydrophobicContact CG2-CB 4.28Å; T853-R922 WeakPolarHBondContact O-CD 3.41Å; T853-R922 PolarHBondContact O-NH1 3.03Å
854	A	91.7	Very high	92	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	4.5	170.9	0	0	0	0	0	115.5	A850 K852 V856 L885 I888 A889 I892	A850-A854 WeakPolarHBondContact O-CB 3.31Å; A850-A854 PolarHBondContact O-N 3.17Å; K852-A854 VanDerWaalsContact C-N 3.3Å; K852-A854 PolarHBondContact O-N 3.19Å; A854-V856 HydrophobicContact CB-CG1 4.18Å; A854-V856 PolarHBondContact O-N 2.75Å; A854-L885 WeakPolarHBondContact O-CD2 3.49Å; A854-I888 HydrophobicContact CB-CG2 4.25Å; A854-A889 HydrophobicContact CB-CB 3.71Å; A854-I892 HydrophobicContact CB-CD1 3.95Å
855	N	90.2	Very high	91.6	Very high	38 Å²	38	57.9 Å²	57.9	20%	0.203	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	22.5	-176.5	-59.5	-53.5	0	0	0	116.1	A851 K852 T853 L915 R922	A851-N855 PolarHBondContact O-N 3.09Å; K852-N855 PolarHBondContact O-N 3.38Å; T853-N855 PolarHBondContact O-N 3.33Å; N855-L915 HydrophobicContact CB-CB 4.46Å; N855-L915 HydrophobicContact CB-CD2 4.28Å; N855-R922 VanDerWaalsContact CG-NH1 3.29Å; N855-R922 PolarHBondContact ND2-NH1 2.89Å; N855-R922 PolarHBondContact OD1-NH1 3.43Å
856	V	91.2	Very high	91.4	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.018	27%	0.268	C	S	.	.			trans	-104.9	-19.2	-175.7	72.6	0	0	0	0	114.4	A851 A854 H858 F859 I860 L885 L886 A889	A851-V856 HydrophobicContact CB-CG1 3.88Å; A851-V856 WeakPolarHBondContact O-CG1 3.35Å; A851-V856 PolarHBondContact O-N 3.35Å; A854-V856 HydrophobicContact CB-CG1 4.18Å; A854-V856 PolarHBondContact O-N 2.75Å; V856-H858 VanDerWaalsContact C-N 3.25Å; V856-H858 PolarHBondContact O-N 3.48Å; V856-H858 VanDerWaalsContact O-N 3.11Å; V856-F859 PolarHBondContact O-N 2.79Å; V856-I860 HydrophobicContact CG1-CD1 3.88Å; V856-I860 HydrophobicContact CG2-CD1 4.28Å; V856-I860 HydrophobicContact CG2-CG1 4.16Å; V856-I860 WeakPolarHBondContact O-CG1 3.42Å; V856-I860 PolarHBondContact O-N 2.95Å; V856-L885 HydrophobicContact CB-CB 3.91Å; V856-L885 HydrophobicContact CG2-CB 3.79Å; V856-L885 HydrophobicContact CG2-CD1 4.44Å; V856-L886 HydrophobicContact CG1-CD2 4.2Å; V856-L886 HydrophobicContact CG2-CD2 4.05Å; V856-L886 HydrophobicContact CG2-CG 4.45Å; V856-A889 HydrophobicContact CG1-CB 4.27Å
857	D	94.2	Very high	91.3	Very high	22 Å²	22	49 Å²	49	12%	0.118	26%	0.26	C	S	.	.	H	α-helix	trans	-49	-41	178.7	174.6	73.6	0	0	0	113.5	A851 K852 I860 R861 Y867	A851-D857 HydrophobicContact CB-CB 4.2Å; A851-D857 PolarHBondContact O-N 3.23Å; K852-D857 HydrophobicContact CB-CB 4.46Å; K852-D857 HydrophobicContact CG-CB 3.61Å; D857-I860 PolarHBondContact O-N 2.93Å; D857-R861 VanDerWaalsContact CG-NE 3.27Å; D857-R861 VanDerWaalsContact O-CG 3.3Å; D857-R861 WeakPolarHBondContact O-CG 3.49Å; D857-R861 PolarHBondContact O-N 2.81Å; D857-R861 IonicContact OD1-CZ 2.7Å; D857-R861 VanDerWaalsContact OD1-CZ 3.31Å; D857-R861 IonicContact OD1-NE 3.49Å; D857-R861 PolarHBondContact OD1-NE 2.94Å; D857-R861 IonicContact OD1-NH2 3.82Å; D857-R861 PolarHBondContact OD1-NH2 3.32Å; D857-R861 IonicContact OD2-CZ 2.79Å; D857-R861 IonicContact OD2-NE 3.49Å; D857-R861 PolarHBondContact OD2-NE 2.92Å; D857-R861 IonicContact OD2-NH2 3.27Å; D857-Y867 WeakPolarHBondContact CB-OH 3.34Å; D857-Y867 WeakPolarHBondContact OD1-CE2 3.15Å; D857-Y867 PolarHBondContact OD1-OH 2.79Å
858	H	89.2	Confident	91.1	Very high	132 Å²	132	55.1 Å²	55.1	61%	0.611	29%	0.288	S	S	*	.	H	α-helix	trans	-62.4	-46.9	177.5	180	-86.5	0	0	0	112.1	V856 R861 T862	V856-H858 VanDerWaalsContact C-N 3.25Å; V856-H858 PolarHBondContact O-N 3.48Å; V856-H858 VanDerWaalsContact O-N 3.11Å; H858-R861 PolarHBondContact O-N 2.72Å; H858-T862 PolarHBondContact O-N 3.07Å; H858-T862 VanDerWaalsContact O-N 3.13Å
859	F	85.7	Confident	90.9	Very high	53 Å²	53	54.9 Å²	54.9	23%	0.232	29%	0.285	C	S	.	.	H	α-helix	trans	-64.6	-42.5	178.5	-68.7	-76.4	0	0	0	111.6	V856 R861 T862 M863 L912 L915	V856-F859 PolarHBondContact O-N 2.79Å; F859-R861 VanDerWaalsContact C-N 3.3Å; F859-R861 PolarHBondContact O-N 2.86Å; F859-T862 WeakPolarHBondContact CA-OG1 3.47Å; F859-T862 PolarHBondContact O-N 2.87Å; F859-T862 PolarHBondContact O-OG1 3.05Å; F859-M863 WeakPolarHBondContact O-CG 3.39Å; F859-M863 PolarHBondContact O-N 3.25Å; F859-L912 HydrophobicContact CE1-CD2 4.23Å; F859-L912 HydrophobicContact CE2-CD2 3.94Å; F859-L912 HydrophobicContact CZ-CD2 3.68Å; F859-L915 HydrophobicContact CE2-CD1 3.52Å; F859-L915 HydrophobicContact CZ-CD1 3.94Å
860	I	91.7	Very high	90.7	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.021	30%	0.3	C	S	.	.	H	α-helix	trans	-56.6	-47.7	175.7	-61.7	172	0	0	0	109.6	I831 I835 A851 V856 D857 T862 M863 G866 Y867 L886	I831-I860 HydrophobicContact CD1-CG2 4.35Å; I831-I860 HydrophobicContact CG2-CD1 3.62Å; I831-I860 HydrophobicContact CG2-CG1 3.87Å; I831-I860 HydrophobicContact CG2-CG2 4.06Å; I835-I860 HydrophobicContact CD1-CD1 4.03Å; A851-I860 HydrophobicContact CB-CD1 4.06Å; V856-I860 HydrophobicContact CG1-CD1 3.88Å; V856-I860 HydrophobicContact CG2-CD1 4.28Å; V856-I860 HydrophobicContact CG2-CG1 4.16Å; V856-I860 WeakPolarHBondContact O-CG1 3.42Å; V856-I860 PolarHBondContact O-N 2.95Å; D857-I860 PolarHBondContact O-N 2.93Å; I860-T862 PolarHBondContact O-N 3.18Å; I860-M863 WeakPolarHBondContact O-CB 3.5Å; I860-M863 PolarHBondContact O-N 3.48Å; I860-G866 VanDerWaalsContact CG2-C 3.49Å; I860-G866 VanDerWaalsContact O-CA 3.3Å; I860-G866 WeakPolarHBondContact O-CA 3.48Å; I860-Y867 HydrophobicContact CB-CE2 4.38Å; I860-Y867 HydrophobicContact CD1-CD1 4.24Å; I860-Y867 HydrophobicContact CD1-CE1 3.65Å; I860-Y867 HydrophobicContact CG2-CD1 3.85Å; I860-Y867 HydrophobicContact CG2-CD2 3.63Å; I860-Y867 HydrophobicContact CG2-CE1 4.01Å; I860-Y867 HydrophobicContact CG2-CE2 3.79Å; I860-Y867 HydrophobicContact CG2-CG 3.65Å; I860-L886 HydrophobicContact CD1-CD2 3.85Å; I860-L886 HydrophobicContact CG1-CD2 4.32Å
861	R	91.6	Very high	90.4	Very high	144 Å²	144	58.4 Å²	58.4	54%	0.543	30%	0.299	S	S	.	.	H	α-helix	trans	-65.4	-20.7	177.7	-70.3	177.2	-168.3	-75.4	-13.2	114.9	D857 H858 F859	D857-R861 VanDerWaalsContact CG-NE 3.27Å; D857-R861 VanDerWaalsContact O-CG 3.3Å; D857-R861 WeakPolarHBondContact O-CG 3.49Å; D857-R861 PolarHBondContact O-N 2.81Å; D857-R861 IonicContact OD1-CZ 2.7Å; D857-R861 VanDerWaalsContact OD1-CZ 3.31Å; D857-R861 IonicContact OD1-NE 3.49Å; D857-R861 PolarHBondContact OD1-NE 2.94Å; D857-R861 IonicContact OD1-NH2 3.82Å; D857-R861 PolarHBondContact OD1-NH2 3.32Å; D857-R861 IonicContact OD2-CZ 2.79Å; D857-R861 IonicContact OD2-NE 3.49Å; D857-R861 PolarHBondContact OD2-NE 2.92Å; D857-R861 IonicContact OD2-NH2 3.27Å; H858-R861 PolarHBondContact O-N 2.72Å; F859-R861 VanDerWaalsContact C-N 3.3Å; F859-R861 PolarHBondContact O-N 2.86Å
862	T	87.6	Confident	89.8	Confident	91 Å²	91	61.2 Å²	61.2	56%	0.558	31%	0.314	S	S	*	.	H	α-helix	trans	-84.3	-8.5	172.6	56.8	0	0	0	0	113.9	H858 F859 I860	H858-T862 PolarHBondContact O-N 3.07Å; H858-T862 VanDerWaalsContact O-N 3.13Å; F859-T862 WeakPolarHBondContact CA-OG1 3.47Å; F859-T862 PolarHBondContact O-N 2.87Å; F859-T862 PolarHBondContact O-OG1 3.05Å; I860-T862 PolarHBondContact O-N 3.18Å
863	M	86.3	Confident	88.6	Confident	39 Å²	39	59.2 Å²	59.2	19%	0.192	31%	0.313	C	S	.	.	S	Bend	trans	-77.4	155.6	177.5	-67.4	-57.1	-177.2	0	0	112.7	F859 I860 S865 G866 M869	F859-M863 WeakPolarHBondContact O-CG 3.39Å; F859-M863 PolarHBondContact O-N 3.25Å; I860-M863 WeakPolarHBondContact O-CB 3.5Å; I860-M863 PolarHBondContact O-N 3.48Å; M863-S865 PolarHBondContact O-N 3.28Å; M863-G866 PolarHBondContact O-N 2.95Å; M863-G866 VanDerWaalsContact O-N 3.12Å; M863-M869 HydrophobicContact CB-SD 3.55Å; M863-M869 VanDerWaalsContact CB-SD 3.55Å; M863-M869 HydrophobicContact CG-SD 3.67Å; M863-M869 HydrophobicContact SD-SD 3.96Å
864	P	77.2	Confident	87.4	Confident	119 Å²	119	63.3 Å²	63.3	77%	0.773	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-20.2	-172.4	-29.1	36.5	0	0	0	117.5
865	S	86	Confident	86.3	Confident	76 Å²	76	63.5 Å²	63.5	53%	0.531	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.5	13.1	176.6	-58.4	0	0	0	0	113.9	M863 Y867 E868	M863-S865 PolarHBondContact O-N 3.28Å; S865-Y867 PolarHBondContact O-N 3.46Å; S865-E868 PolarHBondContact O-N 3.23Å
866	G	91.7	Very high	85.6	Confident	17 Å²	17	66.7 Å²	66.7	18%	0.175	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	63.1	-134.6	-175.7	0	0	0	0	0	112.8	I860 M863 E868 M869	I860-G866 VanDerWaalsContact CG2-C 3.49Å; I860-G866 VanDerWaalsContact O-CA 3.3Å; I860-G866 WeakPolarHBondContact O-CA 3.48Å; M863-G866 PolarHBondContact O-N 2.95Å; M863-G866 VanDerWaalsContact O-N 3.12Å; G866-E868 PolarHBondContact O-N 3.48Å; G866-M869 WeakPolarHBondContact O-CB 3.38Å; G866-M869 PolarHBondContact O-N 3.42Å
867	Y	94.3	Very high	85.2	Confident	29 Å²	29	69.5 Å²	69.5	11%	0.114	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-65.2	-24.1	175.9	-74.9	-93.2	0	0	0	113.3	T830 I831 G832 I835 V847 V848 A851 D857 I860 S865 M869	T830-Y867 WeakPolarHBondContact CB-O 3.41Å; I831-Y867 PolarHBondContact N-O 3.48Å; I831-Y867 VanDerWaalsContact N-O 3.16Å; G832-Y867 PolarHBondContact N-O 2.71Å; I835-Y867 HydrophobicContact CD1-CE1 4.34Å; V847-Y867 HydrophobicContact CG1-CD1 4.14Å; V847-Y867 HydrophobicContact CG1-CE1 4.15Å; V848-Y867 HydrophobicContact CG2-CD2 4.45Å; V848-Y867 HydrophobicContact CG2-CE1 4.21Å; V848-Y867 HydrophobicContact CG2-CE2 3.91Å; A851-Y867 HydrophobicContact CB-CE1 3.97Å; A851-Y867 WeakPolarHBondContact CB-OH 3.48Å; D857-Y867 WeakPolarHBondContact CB-OH 3.34Å; D857-Y867 WeakPolarHBondContact OD1-CE2 3.15Å; D857-Y867 PolarHBondContact OD1-OH 2.79Å; I860-Y867 HydrophobicContact CB-CE2 4.38Å; I860-Y867 HydrophobicContact CD1-CD1 4.24Å; I860-Y867 HydrophobicContact CD1-CE1 3.65Å; I860-Y867 HydrophobicContact CG2-CD1 3.85Å; I860-Y867 HydrophobicContact CG2-CD2 3.63Å; I860-Y867 HydrophobicContact CG2-CE1 4.01Å; I860-Y867 HydrophobicContact CG2-CE2 3.79Å; I860-Y867 HydrophobicContact CG2-CG 3.65Å; S865-Y867 PolarHBondContact O-N 3.46Å; Y867-M869 PolarHBondContact O-N 3.46Å
868	E	93.8	Very high	84.7	Confident	133 Å²	133	68.9 Å²	68.9	62%	0.621	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-83.8	10	178.1	-53.7	-58.6	134.2	0	0	112.8	S865 G866 E870	S865-E868 PolarHBondContact O-N 3.23Å; G866-E868 PolarHBondContact O-N 3.48Å; E868-E870 PolarHBondContact O-N 3.27Å
869	M	92.7	Very high	84.6	Confident	25 Å²	25	65.1 Å²	65.1	12%	0.123	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-68.1	120.2	171.9	-179.9	-179.7	180	0	0	109.5	T830 I831 M863 G866 Y867 N877	T830-M869 CarbonylContact C-O 3.53Å; T830-M869 WeakPolarHBondContact CA-O 3.14Å; I831-M869 HydrophobicContact CD1-CB 3.9Å; I831-M869 HydrophobicContact CD1-CG 4.39Å; I831-M869 HydrophobicContact CD1-SD 4.17Å; I831-M869 HydrophobicContact CG1-CB 4.29Å; I831-M869 PolarHBondContact N-O 3.06Å; M863-M869 HydrophobicContact CB-SD 3.55Å; M863-M869 VanDerWaalsContact CB-SD 3.55Å; M863-M869 HydrophobicContact CG-SD 3.67Å; M863-M869 HydrophobicContact SD-SD 3.96Å; G866-M869 WeakPolarHBondContact O-CB 3.38Å; G866-M869 PolarHBondContact O-N 3.42Å; Y867-M869 PolarHBondContact O-N 3.46Å; M869-N877 HydrophobicContact CE-CB 4.17Å
870	E	90.5	Very high	84.4	Confident	150 Å²	150	66.3 Å²	66.3	70%	0.701	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	126.6	172.5	-67.7	179.2	169.8	0	0	110.6	G829 E868 N877	G829-E870 WeakPolarHBondContact O-CA 3.33Å; E868-E870 PolarHBondContact O-N 3.27Å; E870-N877 PolarHBondContact O-ND2 2.88Å
871	I	89.4	Confident	84.1	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.005	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	131.8	166.7	-53.4	-174	0	0	0	106.9	L826 E828 G829 I831 N834 V878 L886	L826-I871 HydrophobicContact CB-CD1 4.31Å; L826-I871 HydrophobicContact CB-CG2 4.43Å; L826-I871 HydrophobicContact CD1-CD1 3.67Å; E828-I871 WeakPolarHBondContact CA-O 3.48Å; G829-I871 PolarHBondContact N-O 2.85Å; G829-I871 PolarHBondContact O-N 3.06Å; I831-I871 HydrophobicContact CG1-CD1 4.02Å; I831-I871 HydrophobicContact CG1-CG1 4.05Å; N834-I871 HydrophobicContact CB-CD1 4.32Å; I871-V878 HydrophobicContact CD1-CG2 4.27Å; I871-V878 HydrophobicContact CG1-CG2 4.18Å; I871-L886 HydrophobicContact CD1-CD1 4.31Å
872	N	82.9	Confident	83.9	Confident	60 Å²	60	61.1 Å²	61.1	32%	0.321	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-78.4	164.2	176.1	62.2	-22.3	0	0	0	111.6	E874 G875 D876 N877	N872-E874 PolarHBondContact O-N 3.37Å; N872-G875 WeakPolarHBondContact O-CA 3.32Å; N872-G875 PolarHBondContact O-N 3.11Å; N872-G875 VanDerWaalsContact OD1-C 3.3Å; N872-G875 VanDerWaalsContact OD1-CA 3.23Å; N872-G875 WeakPolarHBondContact OD1-CA 3.39Å; N872-G875 PolarHBondContact OD1-N 2.95Å; N872-G875 VanDerWaalsContact OD1-N 3.1Å; N872-D876 PolarHBondContact OD1-N 3.18Å; N872-N877 PolarHBondContact OD1-OD1 2.8Å; N872-N877 VanDerWaalsContact OD1-OD1 3.13Å
873	S	69.8	Low	84	Confident	63 Å²	63	58.3 Å²	58.3	44%	0.441	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-18.1	-178.7	18.2	0	0	0	0	116	E828	E828-S873 WeakPolarHBondContact OE2-CB 3.44Å; E828-S873 PolarHBondContact OE2-OG 2.82Å
874	E	67.7	Low	84.1	Confident	131 Å²	131	56.5 Å²	56.5	61%	0.612	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-16.9	172.2	-62.5	178.3	150.4	0	0	111.7	N872 D876 K883	N872-E874 PolarHBondContact O-N 3.37Å; E874-D876 PolarHBondContact O-N 3.01Å; E874-K883 PolarHBondContact O-NZ 3.09Å
875	G	69	Low	84.8	Confident	3 Å²	3	50.8 Å²	50.8	3%	0.031	27%	0.274	C	S	.	.			trans	67.6	12.2	-176.2	0	0	0	0	0	114.5	N872 N877 V878 K883	N872-G875 WeakPolarHBondContact O-CA 3.32Å; N872-G875 PolarHBondContact O-N 3.11Å; N872-G875 VanDerWaalsContact OD1-C 3.3Å; N872-G875 VanDerWaalsContact OD1-CA 3.23Å; N872-G875 WeakPolarHBondContact OD1-CA 3.39Å; N872-G875 PolarHBondContact OD1-N 2.95Å; N872-G875 VanDerWaalsContact OD1-N 3.1Å; G875-N877 PolarHBondContact O-N 3.37Å; G875-N877 VanDerWaalsContact O-N 3.14Å; G875-V878 PolarHBondContact O-N 3.33Å; G875-V878 VanDerWaalsContact O-N 3.1Å; G875-K883 VanDerWaalsContact C-NZ 3.33Å; G875-K883 WeakPolarHBondContact O-CE 3.27Å; G875-K883 PolarHBondContact O-NZ 3.08Å
876	D	74.4	Confident	85.2	Confident	105 Å²	105	47.4 Å²	47.4	56%	0.561	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-14.2	-172.6	-84.3	7.2	0	0	0	114.1	N872 E874 V878	N872-D876 PolarHBondContact OD1-N 3.18Å; E874-D876 PolarHBondContact O-N 3.01Å; D876-V878 VanDerWaalsContact C-N 3.26Å; D876-V878 PolarHBondContact O-N 2.86Å
877	N	83.5	Confident	85.2	Confident	63 Å²	63	46.9 Å²	46.9	34%	0.337	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	2.1	173.4	66.4	-13.8	0	0	0	114.4	M869 E870 N872 G875	M869-N877 HydrophobicContact CE-CB 4.17Å; E870-N877 PolarHBondContact O-ND2 2.88Å; N872-N877 PolarHBondContact OD1-OD1 2.8Å; N872-N877 VanDerWaalsContact OD1-OD1 3.13Å; G875-N877 PolarHBondContact O-N 3.37Å; G875-N877 VanDerWaalsContact O-N 3.14Å
878	V	84.7	Confident	85.1	Confident	8 Å²	8	45.5 Å²	45.5	5%	0.048	24%	0.238	C	C	.	.	S	Bend	trans	-126.5	131	175.4	-178.3	0	0	0	0	109.6	I871 G875 D876 Q882 K883 L886	I871-V878 HydrophobicContact CD1-CG2 4.27Å; I871-V878 HydrophobicContact CG1-CG2 4.18Å; G875-V878 PolarHBondContact O-N 3.33Å; G875-V878 VanDerWaalsContact O-N 3.1Å; D876-V878 VanDerWaalsContact C-N 3.26Å; D876-V878 PolarHBondContact O-N 2.86Å; V878-Q882 HydrophobicContact CG1-CB 3.47Å; V878-Q882 VanDerWaalsContact CG1-CB 3.47Å; V878-K883 HydrophobicContact CB-CG 4.17Å; V878-K883 HydrophobicContact CG1-CG 3.87Å; V878-K883 VanDerWaalsContact O-CE 3.28Å; V878-K883 WeakPolarHBondContact O-CE 3.43Å; V878-L886 HydrophobicContact CG1-CD1 4.2Å
879	S	85.5	Confident	85.2	Confident	54 Å²	54	39.2 Å²	39.2	38%	0.378	21%	0.208	S	C	.	.			trans	-69.3	153.8	-178	83.9	0	0	0	0	112.2	G881 Q882 K883	S879-G881 VanDerWaalsContact C-N 3.29Å; S879-G881 PolarHBondContact O-N 2.99Å; S879-Q882 CarbonylContact O-C 3.52Å; S879-Q882 WeakPolarHBondContact O-CA 3.35Å; S879-Q882 WeakPolarHBondContact O-CB 3.22Å; S879-Q882 PolarHBondContact O-N 3.26Å; S879-Q882 VanDerWaalsContact OG-CD 3.3Å; S879-Q882 VanDerWaalsContact OG-CG 3.31Å; S879-Q882 WeakPolarHBondContact OG-CG 3.32Å; S879-Q882 PolarHBondContact OG-N 2.87Å; S879-Q882 PolarHBondContact OG-OE1 3.45Å; S879-K883 PolarHBondContact O-N 3.37Å
880	L	81.7	Confident	85.3	Confident	78 Å²	78	38.1 Å²	38.1	41%	0.408	20%	0.203	S	C	.	.	H	α-helix	trans	-54.1	-43	-176.7	-176.7	65	0	0	0	113.2	K883 Q884	L880-K883 WeakPolarHBondContact O-CB 3.46Å; L880-K883 PolarHBondContact O-N 3.04Å; L880-Q884 PolarHBondContact O-N 3.05Å
881	G	84.9	Confident	85.5	Confident	4 Å²	4	31 Å²	31	4%	0.041	17%	0.169	C	C	.	.	H	α-helix	trans	-68.6	-31.9	176.2	0	0	0	0	0	113.5	S879 L885	S879-G881 VanDerWaalsContact C-N 3.29Å; S879-G881 PolarHBondContact O-N 2.99Å; G881-L885 WeakPolarHBondContact O-CG 3.36Å; G881-L885 PolarHBondContact O-N 3.37Å; G881-L885 VanDerWaalsContact O-N 3.12Å
882	Q	88.3	Confident	85.7	Confident	35 Å²	35	32 Å²	32	16%	0.164	18%	0.175	C	C	.	.	H	α-helix	trans	-68.5	-41.9	170.6	-70	163.9	-10.2	0	0	110.7	V878 S879 Q884 L885 L886 L912	V878-Q882 HydrophobicContact CG1-CB 3.47Å; V878-Q882 VanDerWaalsContact CG1-CB 3.47Å; S879-Q882 CarbonylContact O-C 3.52Å; S879-Q882 WeakPolarHBondContact O-CA 3.35Å; S879-Q882 WeakPolarHBondContact O-CB 3.22Å; S879-Q882 PolarHBondContact O-N 3.26Å; S879-Q882 VanDerWaalsContact OG-CD 3.3Å; S879-Q882 VanDerWaalsContact OG-CG 3.31Å; S879-Q882 WeakPolarHBondContact OG-CG 3.32Å; S879-Q882 PolarHBondContact OG-N 2.87Å; S879-Q882 PolarHBondContact OG-OE1 3.45Å; Q882-Q884 VanDerWaalsContact C-N 3.31Å; Q882-Q884 PolarHBondContact O-N 3.11Å; Q882-L885 PolarHBondContact O-N 3.11Å; Q882-L886 WeakPolarHBondContact O-CG 3.48Å; Q882-L886 PolarHBondContact O-N 2.88Å; Q882-L912 HydrophobicContact CG-CD1 4.33Å
883	K	89.4	Confident	86.3	Confident	31 Å²	31	29.4 Å²	29.4	14%	0.135	16%	0.161	C	C	.	.	H	α-helix	trans	-56.5	-44.8	175	-63.8	-172.6	-178.2	-177	0	111.3	A824 L826 E874 G875 V878 S879 L880 L886 T887	A824-K883 HydrophobicContact CB-CB 3.78Å; L826-K883 HydrophobicContact CD1-CB 4.1Å; L826-K883 HydrophobicContact CD1-CG 3.86Å; E874-K883 PolarHBondContact O-NZ 3.09Å; G875-K883 VanDerWaalsContact C-NZ 3.33Å; G875-K883 WeakPolarHBondContact O-CE 3.27Å; G875-K883 PolarHBondContact O-NZ 3.08Å; V878-K883 HydrophobicContact CB-CG 4.17Å; V878-K883 HydrophobicContact CG1-CG 3.87Å; V878-K883 VanDerWaalsContact O-CE 3.28Å; V878-K883 WeakPolarHBondContact O-CE 3.43Å; S879-K883 PolarHBondContact O-N 3.37Å; L880-K883 WeakPolarHBondContact O-CB 3.46Å; L880-K883 PolarHBondContact O-N 3.04Å; K883-L886 WeakPolarHBondContact O-CB 3.17Å; K883-L886 PolarHBondContact O-N 2.8Å; K883-T887 PolarHBondContact O-N 3.33Å; K883-T887 PolarHBondContact O-OG1 2.78Å
884	Q	89.3	Confident	87.4	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-64.8	-41.1	176.3	-76.7	179.3	-6.9	0	0	113.4	A824 L880 Q882 L886 T887 I888 A904 I916	A824-Q884 HydrophobicContact CB-CG 3.91Å; L880-Q884 PolarHBondContact O-N 3.05Å; Q882-Q884 VanDerWaalsContact C-N 3.31Å; Q882-Q884 PolarHBondContact O-N 3.11Å; Q884-L886 VanDerWaalsContact C-N 3.27Å; Q884-L886 PolarHBondContact O-N 3.22Å; Q884-T887 WeakPolarHBondContact CA-OG1 3.39Å; Q884-T887 PolarHBondContact O-N 3.02Å; Q884-T887 PolarHBondContact O-OG1 2.96Å; Q884-I888 VanDerWaalsContact O-CG1 3.3Å; Q884-I888 WeakPolarHBondContact O-CG1 3.46Å; Q884-I888 PolarHBondContact O-N 3.37Å; Q884-A904 VanDerWaalsContact CD-O 3.32Å; Q884-A904 PolarHBondContact OE1-O 3.42Å; Q884-I916 HydrophobicContact CB-CD1 4.34Å
885	L	91.7	Very high	88.5	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.1	-33.3	174.6	-70	169.8	0	0	0	112.3	A854 V856 G881 Q882 A889 L912 I916 A919	A854-L885 WeakPolarHBondContact O-CD2 3.49Å; V856-L885 HydrophobicContact CB-CB 3.91Å; V856-L885 HydrophobicContact CG2-CB 3.79Å; V856-L885 HydrophobicContact CG2-CD1 4.44Å; G881-L885 WeakPolarHBondContact O-CG 3.36Å; G881-L885 PolarHBondContact O-N 3.37Å; G881-L885 VanDerWaalsContact O-N 3.12Å; Q882-L885 PolarHBondContact O-N 3.11Å; L885-A889 PolarHBondContact O-N 3.39Å; L885-L912 HydrophobicContact CD1-CD2 4.15Å; L885-I916 HydrophobicContact CD1-CG1 4.44Å; L885-I916 HydrophobicContact CD2-CB 4.32Å; L885-I916 HydrophobicContact CD2-CG1 3.53Å; L885-I916 HydrophobicContact CG-CG1 3.74Å; L885-A919 HydrophobicContact CD2-CB 4.09Å
886	L	93.1	Very high	89.6	Confident	4 Å²	4	25.7 Å²	25.7	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-69.9	-39.1	173.2	-66.9	176.1	0	0	0	112.5	L826 I831 I835 V856 I860 I871 V878 Q882 K883 Q884 A889 R890	L826-L886 HydrophobicContact CD1-CB 4.4Å; L826-L886 HydrophobicContact CD1-CD1 3.73Å; L826-L886 HydrophobicContact CD2-CB 4.16Å; I831-L886 HydrophobicContact CG2-CD1 4.37Å; I831-L886 HydrophobicContact CG2-CD2 3.66Å; I835-L886 HydrophobicContact CD1-CD2 3.95Å; I835-L886 HydrophobicContact CG1-CD2 4.16Å; V856-L886 HydrophobicContact CG1-CD2 4.2Å; V856-L886 HydrophobicContact CG2-CD2 4.05Å; V856-L886 HydrophobicContact CG2-CG 4.45Å; I860-L886 HydrophobicContact CD1-CD2 3.85Å; I860-L886 HydrophobicContact CG1-CD2 4.32Å; I871-L886 HydrophobicContact CD1-CD1 4.31Å; V878-L886 HydrophobicContact CG1-CD1 4.2Å; Q882-L886 WeakPolarHBondContact O-CG 3.48Å; Q882-L886 PolarHBondContact O-N 2.88Å; K883-L886 WeakPolarHBondContact O-CB 3.17Å; K883-L886 PolarHBondContact O-N 2.8Å; Q884-L886 VanDerWaalsContact C-N 3.27Å; Q884-L886 PolarHBondContact O-N 3.22Å; L886-A889 PolarHBondContact O-N 3.43Å; L886-R890 PolarHBondContact O-N 3.35Å
887	T	92.4	Very high	90.4	Very high	7 Å²	7	25 Å²	25	4%	0.043	13%	0.134	C	C	.	.	H	α-helix	trans	-70.5	-31.1	174.2	53.5	0	0	0	0	112.4	A824 L826 K883 Q884 R890 A891	A824-T887 HydrophobicContact CB-CG2 4.04Å; L826-T887 HydrophobicContact CD2-CG2 4.01Å; K883-T887 PolarHBondContact O-N 3.33Å; K883-T887 PolarHBondContact O-OG1 2.78Å; Q884-T887 WeakPolarHBondContact CA-OG1 3.39Å; Q884-T887 PolarHBondContact O-N 3.02Å; Q884-T887 PolarHBondContact O-OG1 2.96Å; T887-R890 WeakPolarHBondContact O-CB 3.43Å; T887-R890 PolarHBondContact O-N 3.25Å; T887-A891 PolarHBondContact O-N 3.06Å
888	I	93.4	Very high	91	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-66.1	-43.7	168.9	-64.9	162.7	0	0	0	110.7	V820 A854 Q884 R890 A891 I892 I916 A919 M920 V923	V820-I888 HydrophobicContact CG1-CG1 4.16Å; V820-I888 HydrophobicContact CG2-CG1 4.06Å; A854-I888 HydrophobicContact CB-CG2 4.25Å; Q884-I888 VanDerWaalsContact O-CG1 3.3Å; Q884-I888 WeakPolarHBondContact O-CG1 3.46Å; Q884-I888 PolarHBondContact O-N 3.37Å; I888-R890 VanDerWaalsContact C-N 3.28Å; I888-R890 PolarHBondContact O-N 3.31Å; I888-A891 PolarHBondContact O-N 3.23Å; I888-A891 VanDerWaalsContact O-N 3.11Å; I888-I892 HydrophobicContact CG2-CD1 3.95Å; I888-I892 HydrophobicContact CG2-CG1 4.49Å; I888-I892 WeakPolarHBondContact O-CG1 3.26Å; I888-I892 PolarHBondContact O-N 3.42Å; I888-I916 HydrophobicContact CD1-CG2 4.06Å; I888-A919 HydrophobicContact CD1-CB 4.17Å; I888-A919 HydrophobicContact CG2-CB 3.9Å; I888-M920 HydrophobicContact CD1-CG 4.04Å; I888-M920 HydrophobicContact CD1-SD 3.79Å; I888-M920 HydrophobicContact CG1-SD 4.16Å; I888-V923 HydrophobicContact CG2-CB 4.24Å; I888-V923 HydrophobicContact CG2-CG1 4.02Å
889	A	95.1	Very high	91.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59	-39.4	173.6	0	0	0	0	0	112.3	I835 A854 V856 L885 L886 I892 I893	I835-A889 HydrophobicContact CD1-CB 4.05Å; I835-A889 HydrophobicContact CG1-CB 4.07Å; I835-A889 HydrophobicContact CG2-CB 4.18Å; A854-A889 HydrophobicContact CB-CB 3.71Å; V856-A889 HydrophobicContact CG1-CB 4.27Å; L885-A889 PolarHBondContact O-N 3.39Å; L886-A889 PolarHBondContact O-N 3.43Å; A889-I892 PolarHBondContact O-N 2.85Å; A889-I893 PolarHBondContact O-N 3.19Å; A889-I893 VanDerWaalsContact O-N 3.08Å
890	R	95.2	Very high	91.8	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.008	10%	0.098	C	C	.	.	H	α-helix	trans	-62.6	-39.6	172.6	-173.9	-168.5	-71.8	162.7	-2.6	112.6	F78 W825 N834 F837 L886 T887 I888 I892 I893	F78-R890 HydrophobicContact CE1-CG 4.03Å; F78-R890 HydrophobicContact CE2-CG 4.11Å; F78-R890 HydrophobicContact CZ-CG 3.77Å; W825-R890 PolarHBondContact O-NH1 3.08Å; N834-R890 PolarHBondContact O-NE 3.38Å; N834-R890 PolarHBondContact O-NH2 2.98Å; N834-R890 PolarHBondContact OD1-NH2 3.3Å; F837-R890 HydrophobicContact CB-CG 4.37Å; L886-R890 PolarHBondContact O-N 3.35Å; T887-R890 WeakPolarHBondContact O-CB 3.43Å; T887-R890 PolarHBondContact O-N 3.25Å; I888-R890 VanDerWaalsContact C-N 3.28Å; I888-R890 PolarHBondContact O-N 3.31Å; R890-I892 VanDerWaalsContact C-N 3.34Å; R890-I893 WeakPolarHBondContact O-CG2 3.35Å
891	A	93.7	Very high	92.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-73.5	-23.3	175.7	0	0	0	0	0	113.4	V820 T887 I888 S894 P896 L899 V923	V820-A891 HydrophobicContact CG2-CB 3.87Å; T887-A891 PolarHBondContact O-N 3.06Å; I888-A891 PolarHBondContact O-N 3.23Å; I888-A891 VanDerWaalsContact O-N 3.11Å; A891-S894 PolarHBondContact O-OG 3.06Å; A891-S894 VanDerWaalsContact O-OG 3.14Å; A891-P896 WeakPolarHBondContact O-CD 3.47Å; A891-L899 HydrophobicContact CB-CD1 4.16Å; A891-V923 HydrophobicContact CB-CG2 4.32Å
892	I	94.2	Very high	92.4	Very high	22 Å²	22	15.6 Å²	15.6	11%	0.113	8%	0.079	C	C	.	.	H	α-helix	trans	-74.9	-44.6	173.2	-69.9	162.8	0	0	0	111.1	A850 T853 A854 I888 A889 R890 S894 D895 V923	A850-I892 HydrophobicContact CB-CB 4.38Å; A850-I892 HydrophobicContact CB-CG2 4.06Å; T853-I892 HydrophobicContact CG2-CD1 3.87Å; T853-I892 HydrophobicContact CG2-CG2 4.27Å; A854-I892 HydrophobicContact CB-CD1 3.95Å; I888-I892 HydrophobicContact CG2-CD1 3.95Å; I888-I892 HydrophobicContact CG2-CG1 4.49Å; I888-I892 WeakPolarHBondContact O-CG1 3.26Å; I888-I892 PolarHBondContact O-N 3.42Å; A889-I892 PolarHBondContact O-N 2.85Å; R890-I892 VanDerWaalsContact C-N 3.34Å; I892-S894 VanDerWaalsContact C-N 3.27Å; I892-S894 PolarHBondContact O-N 3.39Å; I892-D895 PolarHBondContact O-N 2.64Å; I892-D895 VanDerWaalsContact O-N 3.17Å; I892-V923 HydrophobicContact CD1-CB 4.26Å; I892-V923 HydrophobicContact CG1-CB 3.78Å; I892-V923 HydrophobicContact CG1-CG2 3.61Å
893	I	94.9	Very high	91.9	Very high	7 Å²	7	15.3 Å²	15.3	4%	0.036	8%	0.077	C	C	.	.	H	α-helix	trans	-71.8	-19.5	-174.4	-155.4	176.1	0	0	0	114	I835 R839 A842 E846 V847 A850 A889 R890 D895	I835-I893 HydrophobicContact CG2-CD1 4.21Å; I835-I893 HydrophobicContact CG2-CG2 4.3Å; I835-I893 VanDerWaalsContact O-CG2 3.32Å; I835-I893 WeakPolarHBondContact O-CG2 3.32Å; R839-I893 PolarHBondContact NE-O 3.42Å; R839-I893 VanDerWaalsContact NE-O 3.13Å; A842-I893 HydrophobicContact CB-CD1 3.49Å; A842-I893 VanDerWaalsContact CB-CD1 3.49Å; A842-I893 HydrophobicContact CB-CG1 3.92Å; E846-I893 HydrophobicContact CB-CD1 4.33Å; E846-I893 HydrophobicContact CB-CG1 4.49Å; V847-I893 HydrophobicContact CB-CD1 4.34Å; V847-I893 HydrophobicContact CG2-CD1 3.72Å; A850-I893 HydrophobicContact CB-CB 3.81Å; A850-I893 HydrophobicContact CB-CD1 4.45Å; A850-I893 HydrophobicContact CB-CG1 4.22Å; A889-I893 PolarHBondContact O-N 3.19Å; A889-I893 VanDerWaalsContact O-N 3.08Å; R890-I893 WeakPolarHBondContact O-CG2 3.35Å; I893-D895 VanDerWaalsContact C-N 3.26Å
894	S	92.6	Very high	90.5	Very high	27 Å²	27	14 Å²	14	19%	0.189	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-8.9	173.2	64.3	0	0	0	0	113.7	G838 A891 I892	G838-S894 WeakPolarHBondContact O-CA 3.36Å; G838-S894 WeakPolarHBondContact O-CB 3.48Å; A891-S894 PolarHBondContact O-OG 3.06Å; A891-S894 VanDerWaalsContact O-OG 3.14Å; I892-S894 VanDerWaalsContact C-N 3.27Å; I892-S894 PolarHBondContact O-N 3.39Å
895	D	91	Very high	89.2	Confident	89 Å²	89	14.7 Å²	14.7	48%	0.476	8%	0.078	S	C	.	.			trans	37.7	57.9	-174.7	-167.1	40.9	0	0	0	115.7	I892 I893 K897 R927	I892-D895 PolarHBondContact O-N 2.64Å; I892-D895 VanDerWaalsContact O-N 3.17Å; I893-D895 VanDerWaalsContact C-N 3.26Å; D895-K897 IonicContact OD2-NZ 2.73Å; D895-R927 IonicContact OD1-CZ 2.74Å; D895-R927 IonicContact OD1-NE 3.84Å; D895-R927 IonicContact OD1-NH2 3.35Å; D895-R927 PolarHBondContact OD1-NH2 2.81Å
896	P	92.5	Very high	87.8	Confident	3 Å²	3	16.1 Å²	16.1	2%	0.019	9%	0.088	C	C	.	.			trans	-72.9	161.5	-174.9	35.3	-38.3	0	0	0	111.8	A891 I898 L899 R927	A891-P896 WeakPolarHBondContact O-CD 3.47Å; P896-I898 WeakPolarHBondContact CB-O 3.43Å; P896-L899 HydrophobicContact CG-CD1 4.25Å; P896-R927 WeakPolarHBondContact O-CD 3.33Å; P896-R927 PolarHBondContact O-NE 2.93Å
897	K	92	Very high	86.1	Confident	91 Å²	91	21 Å²	21	40%	0.396	12%	0.123	S	C	.	.	S	Bend	trans	-94.6	-28.9	171.7	-61.3	-52.3	178.3	-149.7	0	112.6	V737 L816 D895 T928	V737-K897 HydrophobicContact CB-CG 4.17Å; V737-K897 HydrophobicContact CG1-CB 4.03Å; V737-K897 HydrophobicContact CG1-CG 4.02Å; L816-K897 PolarHBondContact O-N 2.93Å; D895-K897 IonicContact OD2-NZ 2.73Å; K897-T928 PolarHBondContact O-N 2.81Å
898	I	94.6	Very high	84.6	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	137.3	175.1	-51.8	165.1	0	0	0	107.8	V741 I800 L816 F817 G818 P896 T928 F930	V741-I898 HydrophobicContact CG2-CD1 3.69Å; V741-I898 HydrophobicContact CG2-CG1 4.39Å; I800-I898 HydrophobicContact CD1-CD1 4.12Å; I800-I898 HydrophobicContact CG1-CD1 4.43Å; I800-I898 HydrophobicContact CG2-CD1 4Å; L816-I898 PolarHBondContact O-N 3.27Å; F817-I898 CarbonylContact C-O 3.56Å; F817-I898 VanDerWaalsContact CA-O 3.23Å; F817-I898 WeakPolarHBondContact CA-O 3.48Å; F817-I898 HydrophobicContact CD1-CB 3.72Å; F817-I898 HydrophobicContact CD1-CG2 3.58Å; F817-I898 HydrophobicContact CE1-CB 3.76Å; F817-I898 HydrophobicContact CE1-CD1 4.12Å; F817-I898 HydrophobicContact CE1-CG2 3.32Å; F817-I898 HydrophobicContact CE2-CD1 4.38Å; F817-I898 HydrophobicContact CG-CB 4.36Å; F817-I898 HydrophobicContact CZ-CB 4.39Å; F817-I898 HydrophobicContact CZ-CD1 3.92Å; F817-I898 HydrophobicContact CZ-CG2 4.21Å; G818-I898 PolarHBondContact N-O 2.76Å; P896-I898 WeakPolarHBondContact CB-O 3.43Å; I898-T928 CarbonylContact C-O 3.38Å; I898-T928 VanDerWaalsContact CA-O 3.26Å; I898-T928 WeakPolarHBondContact CA-O 3.47Å; I898-T928 WeakPolarHBondContact CG2-O 3.45Å; I898-F930 HydrophobicContact CG2-CD2 3.86Å; I898-F930 HydrophobicContact CG2-CE2 3.9Å
899	L	94.3	Very high	83.2	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	138	-179.1	-170.8	73.7	0	0	0	110.1	A891 P896 L901 V923 M924 T928 F930	A891-L899 HydrophobicContact CB-CD1 4.16Å; P896-L899 HydrophobicContact CG-CD1 4.25Å; L899-L901 HydrophobicContact CD2-CD1 3.59Å; L899-L901 HydrophobicContact CD2-CD2 3.92Å; L899-L901 HydrophobicContact CD2-CG 3.8Å; L899-L901 HydrophobicContact CG-CD1 4.28Å; L899-L901 HydrophobicContact CG-CD2 4.1Å; L899-L901 HydrophobicContact CG-CG 3.98Å; L899-V923 HydrophobicContact CD1-CG2 3.81Å; L899-V923 HydrophobicContact CD2-CB 4.2Å; L899-V923 HydrophobicContact CD2-CG1 3.67Å; L899-V923 HydrophobicContact CD2-CG2 3.83Å; L899-V923 HydrophobicContact CG-CG2 4.5Å; L899-M924 HydrophobicContact CD2-CG 3.83Å; L899-T928 PolarHBondContact N-O 2.78Å; L899-F930 PolarHBondContact O-N 3.22Å
900	I	94	Very high	81.8	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	129.6	172.9	-69.7	175	0	0	0	109.9	I784 L787 M788 F817 G818 M819 V820 F930	I784-I900 HydrophobicContact CB-CG2 4.44Å; I784-I900 HydrophobicContact CD1-CD1 4.43Å; I784-I900 HydrophobicContact CD1-CG1 4.35Å; I784-I900 HydrophobicContact CD1-CG2 3.67Å; I784-I900 HydrophobicContact CG1-CG2 4.09Å; I784-I900 HydrophobicContact CG2-CD1 4.27Å; I784-I900 HydrophobicContact CG2-CG2 3.65Å; L787-I900 HydrophobicContact CB-CD1 3.95Å; L787-I900 HydrophobicContact CD1-CD1 3.97Å; L787-I900 HydrophobicContact CD1-CG1 4.29Å; M788-I900 HydrophobicContact CG-CD1 3.53Å; M788-I900 HydrophobicContact SD-CD1 3.66Å; F817-I900 HydrophobicContact CD1-CD1 3.64Å; F817-I900 HydrophobicContact CD1-CG1 3.92Å; F817-I900 HydrophobicContact CE1-CD1 3.9Å; F817-I900 HydrophobicContact CE1-CG1 4.31Å; F817-I900 HydrophobicContact CG-CD1 4.49Å; G818-I900 PolarHBondContact O-N 2.8Å; M819-I900 WeakPolarHBondContact CA-O 3.25Å; M819-I900 HydrophobicContact CG-CG2 4.46Å; V820-I900 PolarHBondContact N-O 3.39Å; I900-F930 WeakPolarHBondContact CA-O 3.38Å; I900-F930 HydrophobicContact CG1-CB 4.34Å
901	L	91.2	Very high	80.4	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	93.8	-175.3	-64.5	172.7	0	0	0	109.1	V820 L899 M920 M924 F930 V931 I932	V820-L901 HydrophobicContact CB-CD2 3.7Å; V820-L901 HydrophobicContact CG2-CD2 3.62Å; L899-L901 HydrophobicContact CD2-CD1 3.59Å; L899-L901 HydrophobicContact CD2-CD2 3.92Å; L899-L901 HydrophobicContact CD2-CG 3.8Å; L899-L901 HydrophobicContact CG-CD1 4.28Å; L899-L901 HydrophobicContact CG-CD2 4.1Å; L899-L901 HydrophobicContact CG-CG 3.98Å; L901-M920 HydrophobicContact CB-CE 3.92Å; L901-M920 HydrophobicContact CD1-CE 3.48Å; L901-M920 VanDerWaalsContact CD1-CE 3.48Å; L901-M920 HydrophobicContact CD1-SD 4.16Å; L901-M920 HydrophobicContact CD2-CE 3.82Å; L901-M920 HydrophobicContact CD2-SD 3.77Å; L901-M920 HydrophobicContact CG-CE 3.91Å; L901-M920 HydrophobicContact CG-SD 4.46Å; L901-M924 HydrophobicContact CD1-CG 3.68Å; L901-M924 HydrophobicContact CD1-SD 3.64Å; L901-F930 PolarHBondContact N-O 2.76Å; L901-V931 HydrophobicContact CB-CB 4.34Å; L901-V931 HydrophobicContact CB-CG1 3.98Å; L901-V931 HydrophobicContact CB-CG2 4.19Å; L901-V931 HydrophobicContact CD1-CG1 4.49Å; L901-V931 HydrophobicContact CD1-CG2 3.79Å; L901-V931 HydrophobicContact CG-CG2 4.49Å; L901-V931 WeakPolarHBondContact O-CA 3.37Å; L901-I932 PolarHBondContact O-N 2.87Å
902	D	87.9	Confident	79.4	Confident	8 Å²	8	35.1 Å²	35.1	4%	0.043	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	101.7	-177.2	-167	-0.6	0	0	0	110.5	V820 L821 Q822 A904 I932	V820-D902 PolarHBondContact O-N 3.36Å; L821-D902 CarbonylContact C-O 3.59Å; L821-D902 HydrophobicContact CD2-CB 4.35Å; Q822-D902 VanDerWaalsContact CA-O 3.26Å; Q822-D902 WeakPolarHBondContact CA-O 3.09Å; Q822-D902 PolarHBondContact N-O 3.2Å; D902-A904 PolarHBondContact O-N 3.48Å; D902-I932 HydrophobicContact CB-CD1 4.35Å; D902-I932 WeakPolarHBondContact OD1-CD1 3.41Å
903	E	76.6	Confident	78.4	Confident	29 Å²	29	37 Å²	37	14%	0.136	20%	0.2	C	C	.	.	S	Bend	trans	51.1	27	176.5	-53.7	-167.1	177.5	0	0	115.1	K780 Q822 A905 S906 I932 H934	K780-E903 IonicContact NZ-OE1 3.97Å; Q822-E903 HydrophobicContact CB-CB 4.17Å; Q822-E903 HydrophobicContact CG-CB 4.13Å; Q822-E903 PolarHBondContact NE2-OE2 2.83Å; E903-A905 PolarHBondContact O-N 3.4Å; E903-S906 WeakPolarHBondContact O-CB 3.39Å; E903-S906 PolarHBondContact O-N 2.74Å; E903-S906 PolarHBondContact O-OG 3.11Å; E903-I932 HydrophobicContact CG-CB 4.21Å; E903-I932 HydrophobicContact CG-CG2 3.57Å; E903-I932 PolarHBondContact N-O 3.09Å; E903-H934 VanDerWaalsContact CD-CD2 3.42Å; E903-H934 IonicContact OE1-CD2 3.53Å; E903-H934 IonicContact OE1-CE1 3.31Å; E903-H934 IonicContact OE1-NE2 2.91Å; E903-H934 PolarHBondContact OE1-NE2 3.04Å; E903-H934 IonicContact OE2-CD2 2.64Å; E903-H934 IonicContact OE2-NE2 2.94Å; E903-H934 PolarHBondContact OE2-NE2 2.85Å
904	A	61.2	Low	77.7	Confident	3 Å²	3	38.9 Å²	38.9	3%	0.025	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	7.1	-166.8	0	0	0	0	0	117.3	V820 Q884 D902 M920	V820-A904 HydrophobicContact CB-CB 4.28Å; V820-A904 HydrophobicContact CG1-CB 3.7Å; Q884-A904 VanDerWaalsContact CD-O 3.32Å; Q884-A904 PolarHBondContact OE1-O 3.42Å; D902-A904 PolarHBondContact O-N 3.48Å; A904-M920 HydrophobicContact CB-CE 3.89Å; A904-M920 HydrophobicContact CB-SD 4.1Å
905	A	62.4	Low	77.2	Confident	16 Å²	16	40 Å²	40	13%	0.132	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.7	0.2	172.4	0	0	0	0	0	113.3	E903 I916 R935	E903-A905 PolarHBondContact O-N 3.4Å; A905-I916 HydrophobicContact CB-CG2 4.37Å; A905-R935 PolarHBondContact O-NH2 2.86Å
906	S	61.5	Low	76.9	Confident	29 Å²	29	35.8 Å²	35.8	20%	0.203	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	144.1	-178.8	66.9	0	0	0	0	111.8	Q822 E903 V908	Q822-S906 PolarHBondContact NE2-OG 3.24Å; E903-S906 WeakPolarHBondContact O-CB 3.39Å; E903-S906 PolarHBondContact O-N 2.74Å; E903-S906 PolarHBondContact O-OG 3.11Å; S906-V908 VanDerWaalsContact C-N 3.31Å; S906-V908 PolarHBondContact O-N 2.79Å
907	S	57.3	Low	76.4	Confident	108 Å²	108	37.3 Å²	37.3	76%	0.755	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.1	20.7	176.8	-50.8	0	0	0	0	117.1
908	V	60.7	Low	76.1	Confident	22 Å²	22	38.7 Å²	38.7	13%	0.133	22%	0.215	C	C	.	.			trans	-94.4	150.1	-179.6	-167.8	0	0	0	0	113.1	S906 L912 I916	S906-V908 VanDerWaalsContact C-N 3.31Å; S906-V908 PolarHBondContact O-N 2.79Å; V908-L912 HydrophobicContact CG1-CB 4.04Å; V908-I916 HydrophobicContact CB-CD1 4.19Å; V908-I916 HydrophobicContact CG1-CD1 3.61Å; V908-I916 HydrophobicContact CG2-CD1 3.87Å
909	D	64	Low	75.8	Confident	57 Å²	57	38.7 Å²	38.7	31%	0.305	22%	0.215	S	C	.	.			trans	-58.7	139.6	172	-148.8	-21	0	0	0	113.1	R911 L912 E913	D909-R911 HydrophobicContact CB-CB 4.37Å; D909-R911 VanDerWaalsContact CG-NE 3.35Å; D909-R911 PolarHBondContact O-N 2.86Å; D909-R911 VanDerWaalsContact O-N 3.09Å; D909-R911 IonicContact OD1-NE 3.53Å; D909-R911 PolarHBondContact OD1-NE 3.02Å; D909-R911 WeakPolarHBondContact OD2-CD 3.3Å; D909-R911 IonicContact OD2-CZ 2.74Å; D909-R911 IonicContact OD2-NE 2.76Å; D909-R911 PolarHBondContact OD2-NE 3.39Å; D909-R911 IonicContact OD2-NH2 3.3Å; D909-L912 PolarHBondContact O-N 2.87Å; D909-E913 PolarHBondContact O-N 3.04Å; D909-E913 VanDerWaalsContact O-N 3.13Å
910	T	65.8	Low	75.5	Confident	81 Å²	81	39.1 Å²	39.1	50%	0.497	22%	0.217	S	C	.	.	H	α-helix	trans	-61.2	-22.2	175.7	57.5	0	0	0	0	111.9	Y433 L912	Y433-T910 PolarHBondContact OH-OG1 2.9Å; T910-L912 PolarHBondContact O-N 3.22Å
911	R	67.2	Low	75.2	Confident	135 Å²	135	43 Å²	43	51%	0.509	24%	0.237	S	C	.	.	H	α-helix	trans	-60.5	-19.4	172.1	-57.5	-177.6	-124.5	-110.4	3	114.2	D434 D909	D434-R911 IonicContact OD1-CZ 3.77Å; D434-R911 IonicContact OD1-NH1 3.55Å; D434-R911 IonicContact OD1-NH2 2.75Å; D434-R911 PolarHBondContact OD1-NH2 3.09Å; D434-R911 IonicContact OD2-CZ 2.8Å; D434-R911 IonicContact OD2-NH2 3.97Å; D434-R911 PolarHBondContact OD2-NH2 3.02Å; D909-R911 HydrophobicContact CB-CB 4.37Å; D909-R911 VanDerWaalsContact CG-NE 3.35Å; D909-R911 PolarHBondContact O-N 2.86Å; D909-R911 VanDerWaalsContact O-N 3.09Å; D909-R911 IonicContact OD1-NE 3.53Å; D909-R911 PolarHBondContact OD1-NE 3.02Å; D909-R911 WeakPolarHBondContact OD2-CD 3.3Å; D909-R911 IonicContact OD2-CZ 2.74Å; D909-R911 IonicContact OD2-NE 2.76Å; D909-R911 PolarHBondContact OD2-NE 3.39Å; D909-R911 IonicContact OD2-NH2 3.3Å
912	L	71.3	Confident	75	Confident	9 Å²	9	47.7 Å²	47.7	5%	0.047	26%	0.255	C	S	.	.	H	α-helix	trans	-130.9	-20	-170.1	-69.2	170.7	0	0	0	114	F859 Q882 L885 V908 D909 T910 G914 L915 I916	F859-L912 HydrophobicContact CE1-CD2 4.23Å; F859-L912 HydrophobicContact CE2-CD2 3.94Å; F859-L912 HydrophobicContact CZ-CD2 3.68Å; Q882-L912 HydrophobicContact CG-CD1 4.33Å; L885-L912 HydrophobicContact CD1-CD2 4.15Å; V908-L912 HydrophobicContact CG1-CB 4.04Å; D909-L912 PolarHBondContact O-N 2.87Å; T910-L912 PolarHBondContact O-N 3.22Å; L912-G914 PolarHBondContact O-N 3.27Å; L912-L915 HydrophobicContact CD2-CD1 4.45Å; L912-L915 WeakPolarHBondContact O-CB 3.49Å; L912-L915 PolarHBondContact O-N 2.83Å; L912-I916 PolarHBondContact O-N 3.13Å
913	E	73.7	Confident	75.1	Confident	63 Å²	63	47.3 Å²	47.3	29%	0.294	25%	0.253	S	S	.	.	H	α-helix	trans	-43.9	-52.6	179.9	-177.7	163.8	-163	0	0	114.8	D909 L915 I916 Q917 R935	D909-E913 PolarHBondContact O-N 3.04Å; D909-E913 VanDerWaalsContact O-N 3.13Å; E913-L915 VanDerWaalsContact C-N 3.26Å; E913-L915 PolarHBondContact O-N 2.8Å; E913-I916 PolarHBondContact O-N 3.18Å; E913-Q917 PolarHBondContact O-N 2.96Å; E913-R935 IonicContact OE1-CZ 3.89Å; E913-R935 IonicContact OE1-NE 2.79Å; E913-R935 PolarHBondContact OE1-NE 3.17Å; E913-R935 IonicContact OE1-NH1 3.69Å; E913-R935 IonicContact OE1-NH2 3.59Å; E913-R935 PolarHBondContact OE1-NH2 3.05Å
914	G	79.7	Confident	75.8	Confident	45 Å²	45	47 Å²	47	46%	0.464	25%	0.252	S	S	.	.	H	α-helix	trans	-72.4	-13.3	-179.4	0	0	0	0	0	115	L912 K918	L912-G914 PolarHBondContact O-N 3.27Å; G914-K918 WeakPolarHBondContact O-CD 3.14Å; G914-K918 VanDerWaalsContact O-CG 3.29Å; G914-K918 WeakPolarHBondContact O-CG 3.27Å
915	L	82.8	Confident	77.1	Confident	51 Å²	51	54.2 Å²	54.2	27%	0.267	29%	0.285	S	S	.	.	H	α-helix	trans	-88.2	-37.8	172.1	-64.9	-179.5	0	0	0	111.3	N855 F859 L912 E913 K918 A919	N855-L915 HydrophobicContact CB-CB 4.46Å; N855-L915 HydrophobicContact CB-CD2 4.28Å; F859-L915 HydrophobicContact CE2-CD1 3.52Å; F859-L915 HydrophobicContact CZ-CD1 3.94Å; L912-L915 HydrophobicContact CD2-CD1 4.45Å; L912-L915 WeakPolarHBondContact O-CB 3.49Å; L912-L915 PolarHBondContact O-N 2.83Å; E913-L915 VanDerWaalsContact C-N 3.26Å; E913-L915 PolarHBondContact O-N 2.8Å; L915-K918 PolarHBondContact O-N 3.47Å; L915-A919 WeakPolarHBondContact O-CB 3.49Å; L915-A919 PolarHBondContact O-N 3.2Å
916	I	84.5	Confident	78.4	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-61.5	-50.8	172.6	-68.6	169.1	0	0	0	109.5	Q884 L885 I888 A905 V908 L912 E913 K918 A919 M920	Q884-I916 HydrophobicContact CB-CD1 4.34Å; L885-I916 HydrophobicContact CD1-CG1 4.44Å; L885-I916 HydrophobicContact CD2-CB 4.32Å; L885-I916 HydrophobicContact CD2-CG1 3.53Å; L885-I916 HydrophobicContact CG-CG1 3.74Å; I888-I916 HydrophobicContact CD1-CG2 4.06Å; A905-I916 HydrophobicContact CB-CG2 4.37Å; V908-I916 HydrophobicContact CB-CD1 4.19Å; V908-I916 HydrophobicContact CG1-CD1 3.61Å; V908-I916 HydrophobicContact CG2-CD1 3.87Å; L912-I916 PolarHBondContact O-N 3.13Å; E913-I916 PolarHBondContact O-N 3.18Å; I916-K918 VanDerWaalsContact C-N 3.32Å; I916-K918 PolarHBondContact O-N 2.84Å; I916-A919 CarbonylContact O-C 3.53Å; I916-A919 WeakPolarHBondContact O-CA 3.31Å; I916-A919 WeakPolarHBondContact O-CB 3.46Å; I916-A919 PolarHBondContact O-N 2.92Å; I916-M920 HydrophobicContact CG2-CG 4.01Å; I916-M920 WeakPolarHBondContact O-CB 3.43Å; I916-M920 WeakPolarHBondContact O-CG 3.35Å; I916-M920 PolarHBondContact O-N 3.49Å
917	Q	81.9	Confident	79.9	Confident	35 Å²	35	57.2 Å²	57.2	16%	0.164	31%	0.313	C	S	.	.	H	α-helix	trans	-55.5	-46.9	178.2	-169.1	65.6	46.7	0	0	111.7	E913 A919 M920 D921 T938	E913-Q917 PolarHBondContact O-N 2.96Å; Q917-A919 VanDerWaalsContact C-N 3.29Å; Q917-A919 PolarHBondContact O-N 3.43Å; Q917-M920 WeakPolarHBondContact O-CB 3.27Å; Q917-M920 PolarHBondContact O-N 3.46Å; Q917-M920 VanDerWaalsContact O-N 3.13Å; Q917-D921 PolarHBondContact NE2-OD1 2.86Å; Q917-D921 PolarHBondContact O-N 3.11Å; Q917-D921 VanDerWaalsContact O-OD1 3.14Å; Q917-T938 PolarHBondContact NE2-OG1 2.91Å
918	K	86.2	Confident	81.7	Confident	120 Å²	120	52.1 Å²	52.1	52%	0.522	28%	0.277	S	S	.	.	H	α-helix	trans	-64	-29.2	175.6	-71.4	175	-174	176.2	0	114.4	G914 L915 I916 R922	G914-K918 WeakPolarHBondContact O-CD 3.14Å; G914-K918 VanDerWaalsContact O-CG 3.29Å; G914-K918 WeakPolarHBondContact O-CG 3.27Å; L915-K918 PolarHBondContact O-N 3.47Å; I916-K918 VanDerWaalsContact C-N 3.32Å; I916-K918 PolarHBondContact O-N 2.84Å; K918-R922 WeakPolarHBondContact O-CD 3.37Å; K918-R922 VanDerWaalsContact O-CG 3.28Å; K918-R922 WeakPolarHBondContact O-CG 3.26Å; K918-R922 PolarHBondContact O-N 2.9Å
919	A	88.6	Confident	83.3	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-75.1	-37.8	175	0	0	0	0	0	110.7	L885 I888 L915 I916 Q917 R922 V923	L885-A919 HydrophobicContact CD2-CB 4.09Å; I888-A919 HydrophobicContact CD1-CB 4.17Å; I888-A919 HydrophobicContact CG2-CB 3.9Å; L915-A919 WeakPolarHBondContact O-CB 3.49Å; L915-A919 PolarHBondContact O-N 3.2Å; I916-A919 CarbonylContact O-C 3.53Å; I916-A919 WeakPolarHBondContact O-CA 3.31Å; I916-A919 WeakPolarHBondContact O-CB 3.46Å; I916-A919 PolarHBondContact O-N 2.92Å; Q917-A919 VanDerWaalsContact C-N 3.29Å; Q917-A919 PolarHBondContact O-N 3.43Å; A919-R922 PolarHBondContact O-N 2.87Å; A919-V923 WeakPolarHBondContact O-CG1 3.15Å; A919-V923 PolarHBondContact O-N 2.8Å
920	M	87	Confident	84.8	Confident	9 Å²	9	48.4 Å²	48.4	4%	0.044	26%	0.256	C	S	.	.	H	α-helix	trans	-60.8	-53.1	173.5	-65.8	-75	-75.3	0	0	111	I888 L901 A904 I916 Q917 R922 V923 M924	I888-M920 HydrophobicContact CD1-CG 4.04Å; I888-M920 HydrophobicContact CD1-SD 3.79Å; I888-M920 HydrophobicContact CG1-SD 4.16Å; L901-M920 HydrophobicContact CB-CE 3.92Å; L901-M920 HydrophobicContact CD1-CE 3.48Å; L901-M920 VanDerWaalsContact CD1-CE 3.48Å; L901-M920 HydrophobicContact CD1-SD 4.16Å; L901-M920 HydrophobicContact CD2-CE 3.82Å; L901-M920 HydrophobicContact CD2-SD 3.77Å; L901-M920 HydrophobicContact CG-CE 3.91Å; L901-M920 HydrophobicContact CG-SD 4.46Å; A904-M920 HydrophobicContact CB-CE 3.89Å; A904-M920 HydrophobicContact CB-SD 4.1Å; I916-M920 HydrophobicContact CG2-CG 4.01Å; I916-M920 WeakPolarHBondContact O-CB 3.43Å; I916-M920 WeakPolarHBondContact O-CG 3.35Å; I916-M920 PolarHBondContact O-N 3.49Å; Q917-M920 WeakPolarHBondContact O-CB 3.27Å; Q917-M920 PolarHBondContact O-N 3.46Å; Q917-M920 VanDerWaalsContact O-N 3.13Å; M920-R922 PolarHBondContact O-N 2.83Å; M920-V923 VanDerWaalsContact O-CG1 3.25Å; M920-V923 WeakPolarHBondContact O-CG1 3.41Å; M920-V923 PolarHBondContact O-N 2.96Å; M920-V923 VanDerWaalsContact O-N 3.09Å; M920-M924 HydrophobicContact CB-CE 4.49Å; M920-M924 WeakPolarHBondContact O-CG 3.29Å; M920-M924 PolarHBondContact O-N 2.84Å
921	D	87.3	Confident	86	Confident	81 Å²	81	44.7 Å²	44.7	43%	0.433	23%	0.234	S	C	.	.	H	α-helix	trans	-55.5	-39.9	178.8	-51.9	-24.7	0	0	0	111.4	Q917 E925	Q917-D921 PolarHBondContact NE2-OD1 2.86Å; Q917-D921 PolarHBondContact O-N 3.11Å; Q917-D921 VanDerWaalsContact O-OD1 3.14Å; D921-E925 PolarHBondContact O-N 3.17Å
922	R	88.3	Confident	87.1	Confident	99 Å²	99	38.4 Å²	38.4	37%	0.374	21%	0.21	S	C	.	.	H	α-helix	trans	-73.5	-33.7	176.9	-73	174	-177.8	168.2	3.2	114.7	T853 N855 K918 A919 M920 M924	T853-R922 HydrophobicContact CG2-CB 4.28Å; T853-R922 WeakPolarHBondContact O-CD 3.41Å; T853-R922 PolarHBondContact O-NH1 3.03Å; N855-R922 VanDerWaalsContact CG-NH1 3.29Å; N855-R922 PolarHBondContact ND2-NH1 2.89Å; N855-R922 PolarHBondContact OD1-NH1 3.43Å; K918-R922 WeakPolarHBondContact O-CD 3.37Å; K918-R922 VanDerWaalsContact O-CG 3.28Å; K918-R922 WeakPolarHBondContact O-CG 3.26Å; K918-R922 PolarHBondContact O-N 2.9Å; A919-R922 PolarHBondContact O-N 2.87Å; M920-R922 PolarHBondContact O-N 2.83Å; R922-M924 VanDerWaalsContact C-N 3.34Å
923	V	89.8	Confident	87.4	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-77.2	-25.3	177.1	67.4	0	0	0	0	111.3	I888 A891 I892 L899 A919 M920 R927	I888-V923 HydrophobicContact CG2-CB 4.24Å; I888-V923 HydrophobicContact CG2-CG1 4.02Å; A891-V923 HydrophobicContact CB-CG2 4.32Å; I892-V923 HydrophobicContact CD1-CB 4.26Å; I892-V923 HydrophobicContact CG1-CB 3.78Å; I892-V923 HydrophobicContact CG1-CG2 3.61Å; L899-V923 HydrophobicContact CD1-CG2 3.81Å; L899-V923 HydrophobicContact CD2-CB 4.2Å; L899-V923 HydrophobicContact CD2-CG1 3.67Å; L899-V923 HydrophobicContact CD2-CG2 3.83Å; L899-V923 HydrophobicContact CG-CG2 4.5Å; A919-V923 WeakPolarHBondContact O-CG1 3.15Å; A919-V923 PolarHBondContact O-N 2.8Å; M920-V923 VanDerWaalsContact O-CG1 3.25Å; M920-V923 WeakPolarHBondContact O-CG1 3.41Å; M920-V923 PolarHBondContact O-N 2.96Å; M920-V923 VanDerWaalsContact O-N 3.09Å; V923-R927 WeakPolarHBondContact O-CD 3.33Å; V923-R927 PolarHBondContact O-NH1 2.91Å
924	M	90.9	Very high	87.5	Confident	24 Å²	24	38.7 Å²	38.7	12%	0.118	21%	0.213	C	C	.	.	H	α-helix	trans	-78.1	-20.5	173	-65.2	-177	-58.5	0	0	113.6	T769 L899 L901 M920 R922 G926 R927 V931	T769-M924 HydrophobicContact CG2-SD 4.35Å; L899-M924 HydrophobicContact CD2-CG 3.83Å; L901-M924 HydrophobicContact CD1-CG 3.68Å; L901-M924 HydrophobicContact CD1-SD 3.64Å; M920-M924 HydrophobicContact CB-CE 4.49Å; M920-M924 WeakPolarHBondContact O-CG 3.29Å; M920-M924 PolarHBondContact O-N 2.84Å; R922-M924 VanDerWaalsContact C-N 3.34Å; M924-G926 PolarHBondContact O-N 2.88Å; M924-G926 VanDerWaalsContact O-N 3.09Å; M924-R927 PolarHBondContact O-N 2.85Å; M924-V931 HydrophobicContact SD-CG2 3.81Å
925	E	89.1	Confident	87.3	Confident	154 Å²	154	38.4 Å²	38.4	72%	0.72	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	114.9	-174.3	-166.4	176.2	-179.4	0	0	112.5	D921 R927	D921-E925 PolarHBondContact O-N 3.17Å; E925-R927 VanDerWaalsContact C-N 3.34Å; E925-R927 PolarHBondContact O-N 2.87Å
926	G	88.8	Confident	86.8	Confident	78 Å²	78	37 Å²	37	80%	0.804	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.3	14.8	-180	0	0	0	0	0	115.6	M924	M924-G926 PolarHBondContact O-N 2.88Å; M924-G926 VanDerWaalsContact O-N 3.09Å
927	R	92.7	Very high	86.3	Confident	30 Å²	30	38.9 Å²	38.9	11%	0.113	20%	0.204	C	C	.	.	S	Bend	trans	-124.4	140.6	-178.2	-59.1	-171.8	177.5	104.9	2.7	111.7	D895 P896 V923 M924 E925 S929	D895-R927 IonicContact OD1-CZ 2.74Å; D895-R927 IonicContact OD1-NE 3.84Å; D895-R927 IonicContact OD1-NH2 3.35Å; D895-R927 PolarHBondContact OD1-NH2 2.81Å; P896-R927 WeakPolarHBondContact O-CD 3.33Å; P896-R927 PolarHBondContact O-NE 2.93Å; V923-R927 WeakPolarHBondContact O-CD 3.33Å; V923-R927 PolarHBondContact O-NH1 2.91Å; M924-R927 PolarHBondContact O-N 2.85Å; E925-R927 VanDerWaalsContact C-N 3.34Å; E925-R927 PolarHBondContact O-N 2.87Å; R927-S929 PolarHBondContact O-N 2.86Å; R927-S929 PolarHBondContact O-OG 2.92Å
928	T	95.6	Very high	86.1	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	117.5	173.2	-54.1	0	0	0	0	109.1	G739 V764 A766 G767 E768 K897 I898 L899 F930	G739-T928 WeakPolarHBondContact O-CB 3.5Å; G739-T928 WeakPolarHBondContact O-CG2 3.4Å; G739-T928 PolarHBondContact O-OG1 3.01Å; V764-T928 HydrophobicContact CG1-CG2 3.69Å; A766-T928 WeakPolarHBondContact CA-OG1 3.35Å; G767-T928 PolarHBondContact N-OG1 3.12Å; E768-T928 WeakPolarHBondContact O-CA 3.41Å; K897-T928 PolarHBondContact O-N 2.81Å; I898-T928 CarbonylContact C-O 3.38Å; I898-T928 VanDerWaalsContact CA-O 3.26Å; I898-T928 WeakPolarHBondContact CA-O 3.47Å; I898-T928 WeakPolarHBondContact CG2-O 3.45Å; L899-T928 PolarHBondContact N-O 2.78Å; T928-F930 HydrophobicContact CG2-CE2 4.22Å
929	S	94.7	Very high	85.9	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	117.5	-162.7	-66.1	0	0	0	0	112.8	E768 T769 V770 R927	E768-S929 PolarHBondContact O-N 3.39Å; T769-S929 WeakPolarHBondContact CA-O 3.37Å; V770-S929 PolarHBondContact N-O 3.3Å; R927-S929 PolarHBondContact O-N 2.86Å; R927-S929 PolarHBondContact O-OG 2.92Å
930	F	94.7	Very high	85.6	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	114.2	174.3	-70	-88.6	0	0	0	110.5	V741 F762 V764 V770 L783 I784 L787 I898 L899 I900 L901 T928	V741-F930 HydrophobicContact CB-CE2 4.31Å; V741-F930 HydrophobicContact CB-CZ 4.04Å; V741-F930 HydrophobicContact CG1-CE2 4.43Å; V741-F930 HydrophobicContact CG1-CZ 4Å; V741-F930 HydrophobicContact CG2-CE2 4.07Å; V741-F930 HydrophobicContact CG2-CZ 4.31Å; F762-F930 AromaticContact CE2-CE1 3.91Å; F762-F930 HydrophobicContact CE2-CE1 3.91Å; F762-F930 HydrophobicContact CE2-CZ 4.44Å; F762-F930 HydrophobicContact CZ-CE1 4.25Å; V764-F930 HydrophobicContact CB-CZ 4.42Å; V764-F930 HydrophobicContact CG2-CE1 4.11Å; V764-F930 HydrophobicContact CG2-CZ 3.92Å; V770-F930 HydrophobicContact CB-CD1 3.97Å; V770-F930 HydrophobicContact CB-CE1 4.21Å; V770-F930 HydrophobicContact CG1-CD1 4.14Å; V770-F930 HydrophobicContact CG1-CE1 4.26Å; V770-F930 HydrophobicContact CG2-CD1 4.37Å; V770-F930 HydrophobicContact CG2-CE1 4.17Å; L783-F930 HydrophobicContact CD2-CD1 4.39Å; I784-F930 HydrophobicContact CD1-CB 4.43Å; L787-F930 HydrophobicContact CD1-CB 4.14Å; L787-F930 HydrophobicContact CD1-CD1 3.88Å; L787-F930 HydrophobicContact CD1-CD2 3.73Å; L787-F930 HydrophobicContact CD1-CE1 4.19Å; L787-F930 HydrophobicContact CD1-CE2 4.06Å; L787-F930 HydrophobicContact CD1-CG 3.63Å; L787-F930 HydrophobicContact CD1-CZ 4.27Å; L787-F930 HydrophobicContact CD2-CE2 4.21Å; L787-F930 HydrophobicContact CD2-CZ 4.21Å; I898-F930 HydrophobicContact CG2-CD2 3.86Å; I898-F930 HydrophobicContact CG2-CE2 3.9Å; L899-F930 PolarHBondContact O-N 3.22Å; I900-F930 WeakPolarHBondContact CA-O 3.38Å; I900-F930 HydrophobicContact CG1-CB 4.34Å; L901-F930 PolarHBondContact N-O 2.76Å; T928-F930 HydrophobicContact CG2-CE2 4.22Å
931	V	92.3	Very high	85.5	Confident	4 Å²	4	43.3 Å²	43.3	2%	0.024	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	117.9	-171.7	-167.5	0	0	0	0	111.1	T769 V770 A771 I772 L901 M924 A933 T938	T769-V931 HydrophobicContact CG2-CG2 4.19Å; V770-V931 PolarHBondContact O-N 3.17Å; A771-V931 CarbonylContact C-O 3.58Å; A771-V931 WeakPolarHBondContact CA-O 3.41Å; I772-V931 PolarHBondContact N-O 2.79Å; L901-V931 HydrophobicContact CB-CB 4.34Å; L901-V931 HydrophobicContact CB-CG1 3.98Å; L901-V931 HydrophobicContact CB-CG2 4.19Å; L901-V931 HydrophobicContact CD1-CG1 4.49Å; L901-V931 HydrophobicContact CD1-CG2 3.79Å; L901-V931 HydrophobicContact CG-CG2 4.49Å; L901-V931 WeakPolarHBondContact O-CA 3.37Å; M924-V931 HydrophobicContact SD-CG2 3.81Å; V931-A933 HydrophobicContact CG1-CB 4.34Å; V931-A933 PolarHBondContact O-N 2.71Å; V931-T938 HydrophobicContact CB-CG2 4.49Å; V931-T938 HydrophobicContact CG1-CG2 3.82Å
932	I	88.8	Confident	85.6	Confident	3 Å²	3	39.8 Å²	39.8	2%	0.015	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	104	166.7	-62.8	172	0	0	0	107.5	I772 K780 I784 L901 D902 E903	I772-I932 HydrophobicContact CB-CG1 4.15Å; I772-I932 HydrophobicContact CD1-CG1 4.16Å; K780-I932 HydrophobicContact CB-CD1 3.75Å; K780-I932 HydrophobicContact CB-CG1 4.13Å; K780-I932 HydrophobicContact CB-CG2 4.27Å; K780-I932 HydrophobicContact CD-CG2 3.87Å; I784-I932 HydrophobicContact CD1-CD1 4.34Å; I784-I932 HydrophobicContact CG1-CD1 3.6Å; I784-I932 HydrophobicContact CG1-CG1 4.37Å; L901-I932 PolarHBondContact O-N 2.87Å; D902-I932 HydrophobicContact CB-CD1 4.35Å; D902-I932 WeakPolarHBondContact OD1-CD1 3.41Å; E903-I932 HydrophobicContact CG-CB 4.21Å; E903-I932 HydrophobicContact CG-CG2 3.57Å; E903-I932 PolarHBondContact N-O 3.09Å
933	A	77.8	Confident	85.8	Confident	9 Å²	9	38.8 Å²	38.8	7%	0.074	21%	0.209	C	C	.	.			trans	-106.7	131.2	-167.6	0	0	0	0	0	112.6	I772 V931 T938 I939	I772-A933 PolarHBondContact O-N 3.17Å; V931-A933 HydrophobicContact CG1-CB 4.34Å; V931-A933 PolarHBondContact O-N 2.71Å; A933-T938 HydrophobicContact CB-CG2 4.43Å; A933-I939 HydrophobicContact CB-CD1 4.17Å; A933-I939 HydrophobicContact CB-CG1 3.49Å; A933-I939 VanDerWaalsContact CB-CG1 3.49Å
934	H	75.9	Confident	85.9	Confident	68 Å²	68	40.5 Å²	40.5	32%	0.315	22%	0.217	S	C	.	.			trans	-117	23.5	169.8	-74.7	-87.1	0	0	0	112.1	E903 F977	E903-H934 VanDerWaalsContact CD-CD2 3.42Å; E903-H934 IonicContact OE1-CD2 3.53Å; E903-H934 IonicContact OE1-CE1 3.31Å; E903-H934 IonicContact OE1-NE2 2.91Å; E903-H934 PolarHBondContact OE1-NE2 3.04Å; E903-H934 IonicContact OE2-CD2 2.64Å; E903-H934 IonicContact OE2-NE2 2.94Å; E903-H934 PolarHBondContact OE2-NE2 2.85Å; H934-F977 WeakPolarHBondContact O-CE1 3.49Å
935	R	74.8	Confident	85.9	Confident	40 Å²	40	39.4 Å²	39.4	15%	0.151	21%	0.211	C	C	.	.	S	Bend	trans	-135.4	140.6	178.3	-74.2	-160.8	-178.6	141.2	6.5	111.2	A905 E913 S937 I939	A905-R935 PolarHBondContact O-NH2 2.86Å; E913-R935 IonicContact OE1-CZ 3.89Å; E913-R935 IonicContact OE1-NE 2.79Å; E913-R935 PolarHBondContact OE1-NE 3.17Å; E913-R935 IonicContact OE1-NH1 3.69Å; E913-R935 IonicContact OE1-NH2 3.59Å; E913-R935 PolarHBondContact OE1-NH2 3.05Å; R935-S937 VanDerWaalsContact C-N 3.34Å; R935-S937 PolarHBondContact O-N 3.07Å; R935-I939 WeakPolarHBondContact O-CD1 3.32Å; R935-I939 VanDerWaalsContact O-CG1 3.27Å; R935-I939 WeakPolarHBondContact O-CG1 3.49Å; R935-I939 PolarHBondContact O-N 3.2Å
936	L	74.3	Confident	86	Confident	20 Å²	20	32 Å²	32	11%	0.105	18%	0.177	C	C	.	.	H	α-helix	trans	-63.8	-39.2	-176	-178.3	56.2	0	0	0	112.6	T938 I939 R940 Y973 F977 E980	L936-T938 PolarHBondContact O-N 2.91Å; L936-I939 PolarHBondContact O-N 2.87Å; L936-R940 VanDerWaalsContact O-CB 3.22Å; L936-R940 WeakPolarHBondContact O-CB 3.49Å; L936-R940 PolarHBondContact O-N 3Å; L936-Y973 HydrophobicContact CD1-CD2 3.74Å; L936-Y973 HydrophobicContact CD1-CE2 3.55Å; L936-Y973 HydrophobicContact CD2-CE2 3.68Å; L936-Y973 HydrophobicContact CG-CE2 4.28Å; L936-F977 HydrophobicContact CB-CB 4.02Å; L936-F977 HydrophobicContact CB-CD1 3.9Å; L936-F977 HydrophobicContact CB-CD2 4.42Å; L936-F977 HydrophobicContact CB-CG 3.85Å; L936-F977 HydrophobicContact CD1-CB 4.42Å; L936-F977 HydrophobicContact CD1-CD2 4.26Å; L936-F977 HydrophobicContact CD1-CG 4.37Å; L936-F977 HydrophobicContact CD2-CB 4.12Å; L936-F977 HydrophobicContact CG-CB 4.4Å; L936-E980 WeakPolarHBondContact CB-OE2 3.32Å; L936-E980 PolarHBondContact N-OE2 2.87Å
937	S	72.9	Confident	86.1	Confident	42 Å²	42	28.3 Å²	28.3	29%	0.294	14%	0.139	S	C	.	.	H	α-helix	trans	-54.1	-54.3	-179.3	53.1	0	0	0	0	112.3	R935 I939 R940 D941	R935-S937 VanDerWaalsContact C-N 3.34Å; R935-S937 PolarHBondContact O-N 3.07Å; S937-I939 VanDerWaalsContact C-N 3.28Å; S937-I939 PolarHBondContact O-N 2.77Å; S937-R940 PolarHBondContact O-N 3.44Å; S937-D941 WeakPolarHBondContact O-CB 3.46Å; S937-D941 VanDerWaalsContact O-CG 3.3Å; S937-D941 PolarHBondContact O-N 2.8Å
938	T	77.5	Confident	85.9	Confident	18 Å²	18	26.9 Å²	26.9	11%	0.11	13%	0.133	C	C	.	.	H	α-helix	trans	-68.9	-26.3	-177.4	-44.5	0	0	0	0	112.8	Q917 V931 A933 L936	Q917-T938 PolarHBondContact NE2-OG1 2.91Å; V931-T938 HydrophobicContact CB-CG2 4.49Å; V931-T938 HydrophobicContact CG1-CG2 3.82Å; A933-T938 HydrophobicContact CB-CG2 4.43Å; L936-T938 PolarHBondContact O-N 2.91Å
939	I	81.7	Confident	85.3	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-78.6	-40.2	174.5	-61.1	162.2	0	0	0	110.8	A771 V773 A933 R935 L936 S937 I945 Y969 F977	A771-I939 HydrophobicContact CB-CG1 4.46Å; V773-I939 HydrophobicContact CG1-CD1 3.64Å; V773-I939 HydrophobicContact CG1-CG1 3.76Å; V773-I939 HydrophobicContact CG1-CG2 4.23Å; A933-I939 HydrophobicContact CB-CD1 4.17Å; A933-I939 HydrophobicContact CB-CG1 3.49Å; A933-I939 VanDerWaalsContact CB-CG1 3.49Å; R935-I939 WeakPolarHBondContact O-CD1 3.32Å; R935-I939 VanDerWaalsContact O-CG1 3.27Å; R935-I939 WeakPolarHBondContact O-CG1 3.49Å; R935-I939 PolarHBondContact O-N 3.2Å; L936-I939 PolarHBondContact O-N 2.87Å; S937-I939 VanDerWaalsContact C-N 3.28Å; S937-I939 PolarHBondContact O-N 2.77Å; I939-I945 HydrophobicContact CG2-CD1 3.65Å; I939-I945 HydrophobicContact CG2-CG1 4.04Å; I939-I945 HydrophobicContact CG2-CG2 4.27Å; I939-I945 WeakPolarHBondContact O-CD1 3.11Å; I939-Y969 HydrophobicContact CG2-CE2 3.87Å; I939-Y969 WeakPolarHBondContact CG2-OH 3.34Å; I939-F977 HydrophobicContact CD1-CD2 4.5Å; I939-F977 HydrophobicContact CD1-CE1 4.43Å; I939-F977 HydrophobicContact CD1-CE2 3.47Å; I939-F977 VanDerWaalsContact CD1-CE2 3.47Å; I939-F977 HydrophobicContact CD1-CZ 3.43Å; I939-F977 VanDerWaalsContact CD1-CZ 3.43Å
940	R	83.8	Confident	84.6	Confident	136 Å²	136	37 Å²	37	51%	0.513	18%	0.184	S	C	.	.	H	α-helix	trans	-66.1	-39.9	-178.1	-175.3	-168.1	70.6	-166.8	-5.4	112	L936 S937 A942	L936-R940 VanDerWaalsContact O-CB 3.22Å; L936-R940 WeakPolarHBondContact O-CB 3.49Å; L936-R940 PolarHBondContact O-N 3Å; S937-R940 PolarHBondContact O-N 3.44Å; R940-A942 VanDerWaalsContact C-N 3.3Å
941	D	84.6	Confident	83.7	Confident	102 Å²	102	37 Å²	37	55%	0.545	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	8.1	-173.1	-56.6	-19.5	0	0	0	112.2	S937	S937-D941 WeakPolarHBondContact O-CB 3.46Å; S937-D941 VanDerWaalsContact O-CG 3.3Å; S937-D941 PolarHBondContact O-N 2.8Å
942	A	89.2	Confident	83.1	Confident	7 Å²	7	40.8 Å²	40.8	6%	0.058	20%	0.201	C	C	.	.			trans	-87.6	139.8	175.4	0	0	0	0	0	112.7	T769 A771 R940 H944	T769-A942 HydrophobicContact CG2-CB 4.24Å; A771-A942 HydrophobicContact CB-CB 3.67Å; R940-A942 VanDerWaalsContact C-N 3.3Å; A942-H944 VanDerWaalsContact C-N 3.33Å
943	D	91.3	Very high	82.9	Confident	79 Å²	79	42.7 Å²	42.7	42%	0.422	21%	0.21	S	C	.	.	S	Bend	trans	-67.5	-34.7	177	-53.9	-76.1	0	0	0	112	E768 T769	E768-D943 WeakPolarHBondContact CA-OD2 3.16Å; E768-D943 HydrophobicContact CB-CB 4.29Å; E768-D943 HydrophobicContact CG-CB 4.48Å; T769-D943 PolarHBondContact N-OD2 3.34Å; T769-D943 PolarHBondContact O-N 2.78Å
944	H	91.8	Very high	83.3	Confident	36 Å²	36	45.5 Å²	45.5	17%	0.167	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	132.6	178.5	-67.5	-85.4	0	0	0	111.2	E768 T769 V770 A771 A942 H956	E768-H944 IonicContact OE2-CD2 2.7Å; E768-H944 IonicContact OE2-NE2 3.42Å; E768-H944 PolarHBondContact OE2-NE2 3.08Å; T769-H944 PolarHBondContact O-N 3.41Å; T769-H944 VanDerWaalsContact O-N 3.12Å; V770-H944 CarbonylContact C-O 3.59Å; V770-H944 VanDerWaalsContact CA-O 3.29Å; V770-H944 WeakPolarHBondContact CA-O 3.23Å; V770-H944 HydrophobicContact CG1-CB 4.39Å; V770-H944 HydrophobicContact CG2-CB 4.27Å; A771-H944 PolarHBondContact N-O 3.47Å; A942-H944 VanDerWaalsContact C-N 3.33Å; H944-H956 AromaticContact ND1-CE1 3.52Å; H944-H956 AromaticContact ND1-NE2 3.41Å; H944-H956 PolarHBondContact ND1-NE2 3.49Å
945	I	92.5	Very high	83.9	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120.5	171.6	-56.9	165.9	0	0	0	108.9	A771 V773 I939 V947 H956 G957 H959 L962 Y969	A771-I945 HydrophobicContact CB-CG1 4.3Å; A771-I945 CarbonylContact O-C 3.07Å; A771-I945 WeakPolarHBondContact O-CA 3.46Å; V773-I945 HydrophobicContact CG1-CG2 4.43Å; V773-I945 HydrophobicContact CG2-CG2 3.74Å; I939-I945 HydrophobicContact CG2-CD1 3.65Å; I939-I945 HydrophobicContact CG2-CG1 4.04Å; I939-I945 HydrophobicContact CG2-CG2 4.27Å; I939-I945 WeakPolarHBondContact O-CD1 3.11Å; I945-V947 HydrophobicContact CG2-CG2 4.11Å; I945-H956 WeakPolarHBondContact O-CA 3.45Å; I945-G957 WeakPolarHBondContact CB-O 3.15Å; I945-G957 PolarHBondContact N-O 2.93Å; I945-G957 PolarHBondContact O-N 3.09Å; I945-H959 VanDerWaalsContact CD1-CA 3.5Å; I945-H959 HydrophobicContact CD1-CB 3.87Å; I945-L962 HydrophobicContact CB-CD1 3.72Å; I945-L962 HydrophobicContact CD1-CD1 4.19Å; I945-L962 HydrophobicContact CG2-CD1 3.81Å; I945-Y969 HydrophobicContact CD1-CE2 4.36Å; I945-Y969 HydrophobicContact CG2-CD2 4.29Å; I945-Y969 HydrophobicContact CG2-CE2 4.07Å
946	L	91.6	Very high	84.6	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	108.2	174.6	-48.7	-172.4	0	0	0	109.3	F762 V770 A771 I772 V773 L783 I953 H956	F762-L946 HydrophobicContact CD1-CD1 4.25Å; F762-L946 HydrophobicContact CD2-CD1 4.31Å; F762-L946 HydrophobicContact CE1-CD1 3.95Å; F762-L946 HydrophobicContact CE2-CD1 4.03Å; F762-L946 HydrophobicContact CG-CD1 4.42Å; F762-L946 HydrophobicContact CZ-CD1 3.83Å; V770-L946 HydrophobicContact CG1-CD1 3.62Å; V770-L946 HydrophobicContact CG1-CD2 4.22Å; V770-L946 HydrophobicContact CG1-CG 3.57Å; A771-L946 PolarHBondContact O-N 3.23Å; I772-L946 HydrophobicContact CG1-CD1 4.42Å; V773-L946 PolarHBondContact N-O 3.02Å; L783-L946 HydrophobicContact CD1-CD1 4.32Å; L946-I953 HydrophobicContact CB-CD1 4.27Å; L946-I953 HydrophobicContact CB-CG1 4.47Å; L946-I953 HydrophobicContact CD1-CD1 4.17Å; L946-I953 HydrophobicContact CD2-CD1 4.1Å; L946-I953 HydrophobicContact CG-CD1 4.41Å; L946-H956 VanDerWaalsContact CD2-CD2 3.45Å; L946-H956 WeakPolarHBondContact CD2-CD2 3.23Å
947	V	90.1	Very high	85.4	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	106.6	179	-171.3	0	0	0	0	108.8	V773 I945 I953 I954 E955 L962 F968 Y969	V773-V947 HydrophobicContact CG2-CB 4.17Å; V773-V947 HydrophobicContact CG2-CG1 4.25Å; V773-V947 HydrophobicContact CG2-CG2 3.8Å; I945-V947 HydrophobicContact CG2-CG2 4.11Å; V947-I953 WeakPolarHBondContact O-CA 3.37Å; V947-I954 HydrophobicContact CB-CG1 4.25Å; V947-I954 HydrophobicContact CG1-CD1 4.08Å; V947-I954 HydrophobicContact CG1-CG1 3.94Å; V947-I954 VanDerWaalsContact O-CG1 3.23Å; V947-I954 WeakPolarHBondContact O-CG1 3.47Å; V947-I954 PolarHBondContact O-N 2.71Å; V947-E955 HydrophobicContact CB-CB 3.78Å; V947-E955 WeakPolarHBondContact CB-O 3.43Å; V947-E955 HydrophobicContact CG1-CB 4.45Å; V947-E955 HydrophobicContact CG2-CB 3.72Å; V947-E955 PolarHBondContact N-O 2.88Å; V947-L962 HydrophobicContact CG2-CD1 3.87Å; V947-F968 HydrophobicContact CG1-CD1 3.79Å; V947-Y969 HydrophobicContact CG2-CD2 3.94Å; V947-Y969 HydrophobicContact CG2-CG 4.35Å
948	M	87.4	Confident	86.2	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	138.2	-178	-62.7	-168.1	80.8	0	0	112.5	I772 V773 A778 K780 L783 Q952	I772-M948 HydrophobicContact CG2-CG 4.08Å; I772-M948 HydrophobicContact CG2-SD 3.75Å; V773-M948 PolarHBondContact O-N 3.12Å; A778-M948 HydrophobicContact CB-CB 4.07Å; A778-M948 WeakPolarHBondContact CB-O 3.43Å; K780-M948 HydrophobicContact CG-SD 4.26Å; L783-M948 HydrophobicContact CD1-SD 4.44Å; M948-Q952 WeakPolarHBondContact CA-O 3.45Å
949	K	84.1	Confident	86.8	Confident	83 Å²	83	45.2 Å²	45.2	36%	0.361	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	131.2	168.3	-171.9	176.4	-177.4	176.3	0	109.6	G951 Q952 I954 F968	K949-G951 PolarHBondContact O-N 3.35Å; K949-G951 VanDerWaalsContact O-N 3.09Å; K949-Q952 PolarHBondContact N-O 3.38Å; K949-Q952 PolarHBondContact O-N 3.2Å; K949-Q952 VanDerWaalsContact O-N 3.08Å; K949-I954 HydrophobicContact CB-CD1 3.71Å; K949-I954 HydrophobicContact CB-CG1 4.14Å; K949-I954 HydrophobicContact CB-CG2 4.07Å; K949-I954 HydrophobicContact CD-CD1 3.98Å; K949-F968 HydrophobicContact CD-CD2 4.31Å; K949-F968 HydrophobicContact CD-CE2 4Å; K949-F968 HydrophobicContact CD-CZ 4.1Å
950	N	79.8	Confident	87.1	Confident	131 Å²	131	50 Å²	50	70%	0.701	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	32.8	-178.1	-58.3	-15.9	0	0	0	114	Q952	N950-Q952 VanDerWaalsContact C-N 3.34Å; N950-Q952 PolarHBondContact O-N 3.21Å
951	G	75.2	Confident	87.4	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	2.6	179.1	0	0	0	0	0	116.5	L756 A778 K949	L756-G951 VanDerWaalsContact O-CA 3.26Å; L756-G951 WeakPolarHBondContact O-CA 3.48Å; A778-G951 VanDerWaalsContact O-CA 3.27Å; A778-G951 WeakPolarHBondContact O-CA 3.24Å; A778-G951 PolarHBondContact O-N 3.38Å; K949-G951 PolarHBondContact O-N 3.35Å; K949-G951 VanDerWaalsContact O-N 3.09Å
952	Q	81	Confident	87.6	Confident	83 Å²	83	43.6 Å²	43.6	39%	0.388	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	148.7	169.4	-64.7	173	-10.6	0	0	110.4	E758 M948 K949 N950 I954	E758-Q952 PolarHBondContact OE2-NE2 2.83Å; M948-Q952 WeakPolarHBondContact CA-O 3.45Å; K949-Q952 PolarHBondContact N-O 3.38Å; K949-Q952 PolarHBondContact O-N 3.2Å; K949-Q952 VanDerWaalsContact O-N 3.08Å; N950-Q952 VanDerWaalsContact C-N 3.34Å; N950-Q952 PolarHBondContact O-N 3.21Å; Q952-I954 PolarHBondContact O-N 3.32Å
953	I	83.7	Confident	87.5	Confident	42 Å²	42	45.6 Å²	45.6	22%	0.215	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	119.2	161.1	-65.9	173.5	0	0	0	106.9	L760 F762 L946 V947 E955 H956	L760-I953 HydrophobicContact CD1-CB 4.41Å; L760-I953 HydrophobicContact CD1-CD1 3.35Å; L760-I953 HydrophobicContact CD1-CG1 3.52Å; F762-I953 HydrophobicContact CD1-CD1 3.76Å; F762-I953 HydrophobicContact CE1-CD1 4.29Å; L946-I953 HydrophobicContact CB-CD1 4.27Å; L946-I953 HydrophobicContact CB-CG1 4.47Å; L946-I953 HydrophobicContact CD1-CD1 4.17Å; L946-I953 HydrophobicContact CD2-CD1 4.1Å; L946-I953 HydrophobicContact CG-CD1 4.41Å; V947-I953 WeakPolarHBondContact O-CA 3.37Å; I953-E955 VanDerWaalsContact CG2-O 3.24Å; I953-E955 WeakPolarHBondContact CG2-O 3.44Å; I953-H956 HydrophobicContact CG2-CB 4.24Å
954	I	86.4	Confident	87.3	Confident	69 Å²	69	46.1 Å²	46.1	35%	0.354	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-27.4	176.7	52.1	166	0	0	0	112.3	V947 K949 Q952 F968	V947-I954 HydrophobicContact CB-CG1 4.25Å; V947-I954 HydrophobicContact CG1-CD1 4.08Å; V947-I954 HydrophobicContact CG1-CG1 3.94Å; V947-I954 VanDerWaalsContact O-CG1 3.23Å; V947-I954 WeakPolarHBondContact O-CG1 3.47Å; V947-I954 PolarHBondContact O-N 2.71Å; K949-I954 HydrophobicContact CB-CD1 3.71Å; K949-I954 HydrophobicContact CB-CG1 4.14Å; K949-I954 HydrophobicContact CB-CG2 4.07Å; K949-I954 HydrophobicContact CD-CD1 3.98Å; Q952-I954 PolarHBondContact O-N 3.32Å; I954-F968 HydrophobicContact CD1-CB 3.51Å; I954-F968 HydrophobicContact CD1-CD1 3.51Å; I954-F968 HydrophobicContact CD1-CD2 4.39Å; I954-F968 HydrophobicContact CD1-CE1 4.28Å; I954-F968 HydrophobicContact CD1-CG 3.55Å
955	E	88.5	Confident	87.1	Confident	27 Å²	27	50 Å²	50	13%	0.126	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	141.3	-179.4	-85.1	153.7	-120.9	0	0	110	V947 I953 L962 F968 Y969	V947-E955 HydrophobicContact CB-CB 3.78Å; V947-E955 WeakPolarHBondContact CB-O 3.43Å; V947-E955 HydrophobicContact CG1-CB 4.45Å; V947-E955 HydrophobicContact CG2-CB 3.72Å; V947-E955 PolarHBondContact N-O 2.88Å; I953-E955 VanDerWaalsContact CG2-O 3.24Å; I953-E955 WeakPolarHBondContact CG2-O 3.44Å; E955-L962 HydrophobicContact CB-CD2 3.87Å; E955-L962 HydrophobicContact CG-CD2 4.37Å; E955-F968 WeakPolarHBondContact OE1-CB 3.34Å; E955-F968 PolarHBondContact OE1-N 3.45Å; E955-F968 PolarHBondContact OE2-N 2.83Å; E955-Y969 WeakPolarHBondContact OE2-CB 3.39Å; E955-Y969 PolarHBondContact OE2-N 2.83Å
956	H	89.4	Confident	86.6	Confident	82 Å²	82	52 Å²	52	38%	0.38	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	130.1	-178.9	170.9	-77.6	0	0	0	109.9	H944 I945 L946 I953	H944-H956 AromaticContact ND1-CE1 3.52Å; H944-H956 AromaticContact ND1-NE2 3.41Å; H944-H956 PolarHBondContact ND1-NE2 3.49Å; I945-H956 WeakPolarHBondContact O-CA 3.45Å; L946-H956 VanDerWaalsContact CD2-CD2 3.45Å; L946-H956 WeakPolarHBondContact CD2-CD2 3.23Å; I953-H956 HydrophobicContact CG2-CB 4.24Å
957	G	90.5	Very high	86.4	Confident	6 Å²	6	52.8 Å²	52.8	6%	0.062	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.6	-169.3	176.2	0	0	0	0	0	112.6	I945	I945-G957 WeakPolarHBondContact CB-O 3.15Å; I945-G957 PolarHBondContact N-O 2.93Å; I945-G957 PolarHBondContact O-N 3.09Å
958	T	90.8	Very high	86.2	Confident	43 Å²	43	54.7 Å²	54.7	26%	0.264	30%	0.304	S	S	.	.			trans	-80.6	164.9	172.7	62.1	0	0	0	0	111.9	T960 E961 L962	T958-T960 VanDerWaalsContact C-N 3.3Å; T958-T960 PolarHBondContact O-N 2.91Å; T958-T960 PolarHBondContact OG1-OG1 3.38Å; T958-E961 PolarHBondContact N-OE2 2.96Å; T958-E961 PolarHBondContact O-N 2.98Å; T958-E961 WeakPolarHBondContact OG1-CG 3.37Å; T958-E961 PolarHBondContact OG1-OE2 3.23Å; T958-L962 WeakPolarHBondContact O-CG 3.26Å; T958-L962 PolarHBondContact O-N 2.91Å
959	H	90	Very high	86.2	Confident	23 Å²	23	54.7 Å²	54.7	11%	0.106	30%	0.304	C	S	.	.	H	α-helix	trans	-53.6	-43.4	179.3	176.4	67.4	0	0	0	113.6	I945 L963 Y969 Y973	I945-H959 VanDerWaalsContact CD1-CA 3.5Å; I945-H959 HydrophobicContact CD1-CB 3.87Å; H959-L963 WeakPolarHBondContact O-CG 3.46Å; H959-L963 PolarHBondContact O-N 3.27Å; H959-Y969 AromaticContact ND1-CE1 3.74Å; H959-Y969 AromaticContact ND1-CZ 3.73Å; H959-Y969 PolarHBondContact ND1-OH 2.89Å; H959-Y973 AromaticContact CE1-CE2 3.81Å
960	T	88.4	Confident	86.3	Confident	102 Å²	102	54.2 Å²	54.2	63%	0.626	30%	0.303	S	S	*	.	H	α-helix	trans	-72.2	-36.2	-179.2	46.3	0	0	0	0	112.6	T958 A964	T958-T960 VanDerWaalsContact C-N 3.3Å; T958-T960 PolarHBondContact O-N 2.91Å; T958-T960 PolarHBondContact OG1-OG1 3.38Å; T960-A964 WeakPolarHBondContact O-CB 3.49Å; T960-A964 PolarHBondContact O-N 2.83Å
961	E	89.5	Confident	86.4	Confident	102 Å²	102	53.7 Å²	53.7	48%	0.477	30%	0.296	S	S	.	.	H	α-helix	trans	-67.4	-45	176.1	-71.7	165.6	156.9	0	0	111.6	T958 A964 Q965	T958-E961 PolarHBondContact N-OE2 2.96Å; T958-E961 PolarHBondContact O-N 2.98Å; T958-E961 WeakPolarHBondContact OG1-CG 3.37Å; T958-E961 PolarHBondContact OG1-OE2 3.23Å; E961-A964 PolarHBondContact O-N 2.85Å; E961-Q965 WeakPolarHBondContact O-CG 3.33Å; E961-Q965 PolarHBondContact O-N 3.4Å; E961-Q965 VanDerWaalsContact O-N 3.09Å
962	L	89	Confident	86.7	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-69.8	-37.3	-177.8	-67.4	-177.5	0	0	0	112.9	I945 V947 E955 T958 A964 Q965 Y969	I945-L962 HydrophobicContact CB-CD1 3.72Å; I945-L962 HydrophobicContact CD1-CD1 4.19Å; I945-L962 HydrophobicContact CG2-CD1 3.81Å; V947-L962 HydrophobicContact CG2-CD1 3.87Å; E955-L962 HydrophobicContact CB-CD2 3.87Å; E955-L962 HydrophobicContact CG-CD2 4.37Å; T958-L962 WeakPolarHBondContact O-CG 3.26Å; T958-L962 PolarHBondContact O-N 2.91Å; L962-A964 VanDerWaalsContact C-N 3.33Å; L962-Q965 PolarHBondContact O-N 3.41Å; L962-Y969 HydrophobicContact CB-CD1 3.38Å; L962-Y969 HydrophobicContact CB-CE1 4.07Å; L962-Y969 HydrophobicContact CB-CG 3.73Å; L962-Y969 HydrophobicContact CD1-CD1 4.25Å; L962-Y969 HydrophobicContact CD1-CD2 4.13Å; L962-Y969 HydrophobicContact CD1-CG 3.92Å; L962-Y969 HydrophobicContact CG-CD1 4.48Å; L962-Y969 HydrophobicContact CG-CG 4.47Å
963	L	87.3	Confident	86.7	Confident	49 Å²	49	52.7 Å²	52.7	26%	0.257	29%	0.291	S	S	.	.	H	α-helix	trans	-62.8	-40	170	-74.5	-179.5	0	0	0	111.7	H959 Q965 G966 Y969 E970 Y973	H959-L963 WeakPolarHBondContact O-CG 3.46Å; H959-L963 PolarHBondContact O-N 3.27Å; L963-Q965 VanDerWaalsContact C-N 3.26Å; L963-Q965 PolarHBondContact O-N 3.2Å; L963-G966 PolarHBondContact O-N 2.87Å; L963-Y969 HydrophobicContact CD2-CD1 4.23Å; L963-Y969 HydrophobicContact CD2-CE1 4.08Å; L963-Y969 HydrophobicContact CG-CD1 4.42Å; L963-Y969 HydrophobicContact CG-CE1 4.08Å; L963-E970 HydrophobicContact CD2-CB 4.42Å; L963-E970 HydrophobicContact CD2-CG 4.08Å; L963-Y973 HydrophobicContact CD2-CD1 3.87Å; L963-Y973 HydrophobicContact CD2-CD2 4.34Å; L963-Y973 HydrophobicContact CD2-CE1 4.33Å; L963-Y973 HydrophobicContact CD2-CG 3.89Å
964	A	86.3	Confident	86.5	Confident	90 Å²	90	53.8 Å²	53.8	74%	0.744	30%	0.297	S	S	*	.	H	α-helix	trans	-68.6	-22	178.3	0	0	0	0	0	113.8	T960 E961 L962	T960-A964 WeakPolarHBondContact O-CB 3.49Å; T960-A964 PolarHBondContact O-N 2.83Å; E961-A964 PolarHBondContact O-N 2.85Å; L962-A964 VanDerWaalsContact C-N 3.33Å
965	Q	87.6	Confident	85.9	Confident	119 Å²	119	52.7 Å²	52.7	56%	0.556	30%	0.295	S	S	*	.	H	α-helix	trans	-77.9	-19.7	176.7	-73.6	174.1	33.6	0	0	113.7	E961 L962 L963 G967	E961-Q965 WeakPolarHBondContact O-CG 3.33Å; E961-Q965 PolarHBondContact O-N 3.4Å; E961-Q965 VanDerWaalsContact O-N 3.09Å; L962-Q965 PolarHBondContact O-N 3.41Å; L963-Q965 VanDerWaalsContact C-N 3.26Å; L963-Q965 PolarHBondContact O-N 3.2Å; Q965-G967 VanDerWaalsContact C-N 3.31Å; Q965-G967 PolarHBondContact O-N 2.85Å
966	G	82	Confident	84.8	Confident	41 Å²	41	55.6 Å²	55.6	42%	0.423	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	29.8	179.8	0	0	0	0	0	114.4	L963 E970	L963-G966 PolarHBondContact O-N 2.87Å; G966-E970 WeakPolarHBondContact CA-OE2 3.36Å
967	G	87.3	Confident	83.7	Confident	17 Å²	17	51.8 Å²	51.8	18%	0.175	29%	0.291	C	S	.	.	S	Bend	trans	-87.8	-161.3	-172.6	0	0	0	0	0	115.3	Q965 Y969 E970 Q971	Q965-G967 VanDerWaalsContact C-N 3.31Å; Q965-G967 PolarHBondContact O-N 2.85Å; G967-Y969 PolarHBondContact O-N 2.82Å; G967-E970 PolarHBondContact O-N 3.04Å; G967-Q971 PolarHBondContact O-N 2.76Å
968	F	86	Confident	82	Confident	39 Å²	39	57.2 Å²	57.2	17%	0.171	32%	0.316	C	S	.	.	H	α-helix	trans	-63.4	-27.1	172.1	-172.7	-96.3	0	0	0	112.2	P775 V947 K949 I954 E955 Q971 L972	P775-F968 HydrophobicContact CG-CZ 4.43Å; V947-F968 HydrophobicContact CG1-CD1 3.79Å; K949-F968 HydrophobicContact CD-CD2 4.31Å; K949-F968 HydrophobicContact CD-CE2 4Å; K949-F968 HydrophobicContact CD-CZ 4.1Å; I954-F968 HydrophobicContact CD1-CB 3.51Å; I954-F968 HydrophobicContact CD1-CD1 3.51Å; I954-F968 HydrophobicContact CD1-CD2 4.39Å; I954-F968 HydrophobicContact CD1-CE1 4.28Å; I954-F968 HydrophobicContact CD1-CG 3.55Å; E955-F968 WeakPolarHBondContact OE1-CB 3.34Å; E955-F968 PolarHBondContact OE1-N 3.45Å; E955-F968 PolarHBondContact OE2-N 2.83Å; F968-Q971 WeakPolarHBondContact O-CB 3.27Å; F968-Q971 PolarHBondContact O-N 2.76Å; F968-L972 HydrophobicContact CE1-CD1 4.38Å; F968-L972 WeakPolarHBondContact O-CB 3.38Å; F968-L972 PolarHBondContact O-N 3.44Å
969	Y	88	Confident	80.1	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-60.9	-47	170.5	-177.2	-104.9	0	0	0	112	V773 I939 I945 V947 E955 H959 L962 L963 G967 Q971 L972 Y973	V773-Y969 HydrophobicContact CG2-CD2 4.15Å; V773-Y969 HydrophobicContact CG2-CE2 4.31Å; I939-Y969 HydrophobicContact CG2-CE2 3.87Å; I939-Y969 WeakPolarHBondContact CG2-OH 3.34Å; I945-Y969 HydrophobicContact CD1-CE2 4.36Å; I945-Y969 HydrophobicContact CG2-CD2 4.29Å; I945-Y969 HydrophobicContact CG2-CE2 4.07Å; V947-Y969 HydrophobicContact CG2-CD2 3.94Å; V947-Y969 HydrophobicContact CG2-CG 4.35Å; E955-Y969 WeakPolarHBondContact OE2-CB 3.39Å; E955-Y969 PolarHBondContact OE2-N 2.83Å; H959-Y969 AromaticContact ND1-CE1 3.74Å; H959-Y969 AromaticContact ND1-CZ 3.73Å; H959-Y969 PolarHBondContact ND1-OH 2.89Å; L962-Y969 HydrophobicContact CB-CD1 3.38Å; L962-Y969 HydrophobicContact CB-CE1 4.07Å; L962-Y969 HydrophobicContact CB-CG 3.73Å; L962-Y969 HydrophobicContact CD1-CD1 4.25Å; L962-Y969 HydrophobicContact CD1-CD2 4.13Å; L962-Y969 HydrophobicContact CD1-CG 3.92Å; L962-Y969 HydrophobicContact CG-CD1 4.48Å; L962-Y969 HydrophobicContact CG-CG 4.47Å; L963-Y969 HydrophobicContact CD2-CD1 4.23Å; L963-Y969 HydrophobicContact CD2-CE1 4.08Å; L963-Y969 HydrophobicContact CG-CD1 4.42Å; L963-Y969 HydrophobicContact CG-CE1 4.08Å; G967-Y969 PolarHBondContact O-N 2.82Å; Y969-Q971 VanDerWaalsContact C-N 3.27Å; Y969-Q971 PolarHBondContact O-N 2.93Å; Y969-L972 PolarHBondContact O-N 3.33Å; Y969-L972 VanDerWaalsContact O-N 3.17Å; Y969-Y973 VanDerWaalsContact O-CB 3.31Å; Y969-Y973 WeakPolarHBondContact O-CB 3.35Å; Y969-Y973 PolarHBondContact O-N 2.94Å
970	E	85.7	Confident	78.1	Confident	73 Å²	73	65.5 Å²	65.5	34%	0.341	35%	0.352	S	S	.	.	H	α-helix	trans	-61.7	-38.5	177	-163.8	-153.7	-176.1	0	0	110.8	L963 G966 G967 Y973 N974	L963-E970 HydrophobicContact CD2-CB 4.42Å; L963-E970 HydrophobicContact CD2-CG 4.08Å; G966-E970 WeakPolarHBondContact CA-OE2 3.36Å; G967-E970 PolarHBondContact O-N 3.04Å; E970-Y973 PolarHBondContact O-N 3.19Å; E970-N974 VanDerWaalsContact O-CB 3.27Å; E970-N974 WeakPolarHBondContact O-CB 3.42Å; E970-N974 VanDerWaalsContact O-CG 3.26Å; E970-N974 PolarHBondContact O-N 3.23Å; E970-N974 PolarHBondContact O-ND2 3.35Å; E970-N974 VanDerWaalsContact O-ND2 3.12Å
971	Q	82.6	Confident	75.9	Confident	120 Å²	120	63.1 Å²	63.1	56%	0.561	34%	0.343	S	S	*	.	H	α-helix	trans	-62.1	-48.1	173	-64.8	175.9	13.8	0	0	111.8	G967 F968 Y969 Y973 N974 S975	G967-Q971 PolarHBondContact O-N 2.76Å; F968-Q971 WeakPolarHBondContact O-CB 3.27Å; F968-Q971 PolarHBondContact O-N 2.76Å; Y969-Q971 VanDerWaalsContact C-N 3.27Å; Y969-Q971 PolarHBondContact O-N 2.93Å; Q971-Y973 VanDerWaalsContact C-N 3.33Å; Q971-Y973 PolarHBondContact O-N 3.32Å; Q971-N974 PolarHBondContact O-N 2.81Å; Q971-S975 WeakPolarHBondContact O-CB 3.23Å; Q971-S975 PolarHBondContact O-N 3.33Å
972	L	80.8	Confident	73.4	Confident	16 Å²	16	71.2 Å²	71.2	8%	0.084	38%	0.381	C	S	.	.	H	α-helix	trans	-61.5	-43.5	178.1	-163.6	88.6	0	0	0	110.9	V773 F968 Y969 S975 Q976	V773-L972 HydrophobicContact CB-CD2 3.93Å; V773-L972 HydrophobicContact CG2-CD2 4.24Å; F968-L972 HydrophobicContact CE1-CD1 4.38Å; F968-L972 WeakPolarHBondContact O-CB 3.38Å; F968-L972 PolarHBondContact O-N 3.44Å; Y969-L972 PolarHBondContact O-N 3.33Å; Y969-L972 VanDerWaalsContact O-N 3.17Å; L972-S975 CarbonylContact O-C 3.53Å; L972-S975 PolarHBondContact O-N 3.09Å; L972-S975 VanDerWaalsContact O-N 3.13Å; L972-Q976 WeakPolarHBondContact O-CB 3.4Å; L972-Q976 PolarHBondContact O-N 3Å
973	Y	81.2	Confident	72.7	Confident	47 Å²	47	74.8 Å²	74.8	18%	0.184	40%	0.4	C	S	.	.	H	α-helix	trans	-58.9	-53	176.1	172.8	-89	0	0	0	111.7	L936 H959 L963 Y969 E970 Q971 S975 Q976 F977	L936-Y973 HydrophobicContact CD1-CD2 3.74Å; L936-Y973 HydrophobicContact CD1-CE2 3.55Å; L936-Y973 HydrophobicContact CD2-CE2 3.68Å; L936-Y973 HydrophobicContact CG-CE2 4.28Å; H959-Y973 AromaticContact CE1-CE2 3.81Å; L963-Y973 HydrophobicContact CD2-CD1 3.87Å; L963-Y973 HydrophobicContact CD2-CD2 4.34Å; L963-Y973 HydrophobicContact CD2-CE1 4.33Å; L963-Y973 HydrophobicContact CD2-CG 3.89Å; Y969-Y973 VanDerWaalsContact O-CB 3.31Å; Y969-Y973 WeakPolarHBondContact O-CB 3.35Å; Y969-Y973 PolarHBondContact O-N 2.94Å; E970-Y973 PolarHBondContact O-N 3.19Å; Q971-Y973 VanDerWaalsContact C-N 3.33Å; Q971-Y973 PolarHBondContact O-N 3.32Å; Y973-S975 PolarHBondContact O-N 3.19Å; Y973-Q976 PolarHBondContact O-N 3.2Å; Y973-F977 HydrophobicContact CD2-CB 4.23Å; Y973-F977 HydrophobicContact CD2-CD2 4.26Å; Y973-F977 HydrophobicContact CE2-CB 4.44Å; Y973-F977 PolarHBondContact O-N 2.75Å
974	N	78.7	Confident	71.9	Confident	65 Å²	65	76.1 Å²	76.1	35%	0.348	41%	0.407	S	S	.	.	H	α-helix	trans	-61.8	-25.2	175.6	-74.8	-34.2	0	0	0	113	E970 Q971 M978	E970-N974 VanDerWaalsContact O-CB 3.27Å; E970-N974 WeakPolarHBondContact O-CB 3.42Å; E970-N974 VanDerWaalsContact O-CG 3.26Å; E970-N974 PolarHBondContact O-N 3.23Å; E970-N974 PolarHBondContact O-ND2 3.35Å; E970-N974 VanDerWaalsContact O-ND2 3.12Å; Q971-N974 PolarHBondContact O-N 2.81Å; N974-M978 HydrophobicContact CB-CE 3.86Å; N974-M978 VanDerWaalsContact OD1-CE 3.3Å; N974-M978 WeakPolarHBondContact OD1-CE 3.24Å
975	S	73.4	Confident	71.1	Confident	45 Å²	45	75.3 Å²	75.3	32%	0.315	39%	0.389	S	S	.	.	H	α-helix	trans	-99.6	-6.2	-176.5	-174.2	0	0	0	0	115.1	Q374 Q971 L972 Y973	Q374-S975 PolarHBondContact NE2-OG 2.84Å; Q971-S975 WeakPolarHBondContact O-CB 3.23Å; Q971-S975 PolarHBondContact O-N 3.33Å; L972-S975 CarbonylContact O-C 3.53Å; L972-S975 PolarHBondContact O-N 3.09Å; L972-S975 VanDerWaalsContact O-N 3.13Å; Y973-S975 PolarHBondContact O-N 3.19Å
976	Q	65.6	Low	70.1	Confident	88 Å²	88	72.8 Å²	72.8	41%	0.411	38%	0.379	S	S	.	.	H	α-helix	trans	-129.7	-32.2	179	-68.4	-174.4	-34.7	0	0	113.3	L972 Y973	L972-Q976 WeakPolarHBondContact O-CB 3.4Å; L972-Q976 PolarHBondContact O-N 3Å; Y973-Q976 PolarHBondContact O-N 3.2Å
977	F	68.1	Low	69.4	Low	3 Å²	3	74.8 Å²	74.8	1%	0.013	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-0.6	-165.5	-55.9	-54.3	0	0	0	116	H934 L936 I939 Y973 E979 E980	H934-F977 WeakPolarHBondContact O-CE1 3.49Å; L936-F977 HydrophobicContact CB-CB 4.02Å; L936-F977 HydrophobicContact CB-CD1 3.9Å; L936-F977 HydrophobicContact CB-CD2 4.42Å; L936-F977 HydrophobicContact CB-CG 3.85Å; L936-F977 HydrophobicContact CD1-CB 4.42Å; L936-F977 HydrophobicContact CD1-CD2 4.26Å; L936-F977 HydrophobicContact CD1-CG 4.37Å; L936-F977 HydrophobicContact CD2-CB 4.12Å; L936-F977 HydrophobicContact CG-CB 4.4Å; I939-F977 HydrophobicContact CD1-CD2 4.5Å; I939-F977 HydrophobicContact CD1-CE1 4.43Å; I939-F977 HydrophobicContact CD1-CE2 3.47Å; I939-F977 VanDerWaalsContact CD1-CE2 3.47Å; I939-F977 HydrophobicContact CD1-CZ 3.43Å; I939-F977 VanDerWaalsContact CD1-CZ 3.43Å; Y973-F977 HydrophobicContact CD2-CB 4.23Å; Y973-F977 HydrophobicContact CD2-CD2 4.26Å; Y973-F977 HydrophobicContact CE2-CB 4.44Å; Y973-F977 PolarHBondContact O-N 2.75Å; F977-E979 PolarHBondContact O-N 3.4Å; F977-E980 WeakPolarHBondContact CD1-OE2 3.22Å; F977-E980 PolarHBondContact O-N 3.39Å
978	M	52.8	Low	68.2	Low	120 Å²	120	78.6 Å²	78.6	59%	0.591	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-56.4	-33.3	177.1	-90.1	-154.4	-155.6	0	0	113.5	N974	N974-M978 HydrophobicContact CB-CE 3.86Å; N974-M978 VanDerWaalsContact OD1-CE 3.3Å; N974-M978 WeakPolarHBondContact OD1-CE 3.24Å
979	E	51.4	Low	66.9	Low	138 Å²	138	81.4 Å²	81.4	65%	0.645	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-79.9	-15.5	178	-70.7	-175.8	174.5	0	0	113.6	Y373 F977 A981	Y373-E979 VanDerWaalsContact CE1-OE1 3.28Å; Y373-E979 WeakPolarHBondContact CE1-OE1 3.22Å; Y373-E979 PolarHBondContact OH-OE1 3.41Å; Y373-E979 PolarHBondContact OH-OE2 3.06Å; F977-E979 PolarHBondContact O-N 3.4Å; E979-A981 PolarHBondContact O-N 2.84Å
980	E	47.7	Very low	65.3	Low	101 Å²	101	87.7 Å²	87.7	47%	0.472	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-82.3	17	173.9	-71.3	-171.3	161.2	0	0	112.2	L936 F977	L936-E980 WeakPolarHBondContact CB-OE2 3.32Å; L936-E980 PolarHBondContact N-OE2 2.87Å; F977-E980 WeakPolarHBondContact CD1-OE2 3.22Å; F977-E980 PolarHBondContact O-N 3.39Å
981	A	43.8	Very low	63.6	Low	53 Å²	53	88.9 Å²	88.9	44%	0.438	44%	0.444	S	S	.	.			trans	-146.1	37.1	-160.5	0	0	0	0	0	118.4	E979	E979-A981 PolarHBondContact O-N 2.84Å
982	E	37.3	Very low	61.9	Low	271 Å²	271	86.1 Å²	86.1	100%	1.266	43%	0.433	S	S	*	.			trans	-113.9	0	160.4	-78.3	-159	114	0	0	112.5

Retrieved 982 of 982 residues in 708.8 ms (Link to these results)

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