A0A3Q0KIB8_SCHMA Loading...

XPG_I_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KIB8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 826 aa.

						>A0A3Q0KIB8_SCHMA|A0A3Q0KIB8
MPIPELSNILLQEFVNFKVSQLHNNPVIIDGEDFSGYFYEHLKLPTKYGGEYLSYIVQIKQFLNEIKQCKIYPSFLFGSDCERVGFQLSSQLQAMESRIKLLSSSSNTQKKNASPMPYHIFLQSMLTDVLSDMEIKFLKSPYPRIRSCVSLATYLHHPIIASSPEYFLIGTHQMSSETSPCFIPLSLMKFQCLEFKESCYCESIDAESQSIQTPCRFLTVHEFIPQPSSVHPKCRPLIGLLLGTDSMPQTKLPNYLYLIINSIEKKSYKFRRFLTLVSWFSQFGTDSQTPIDEILKCYSSKERGKLLKMLTESLAGYFPDLYLGQKLSVSLHQETPVSTGNQLNSPIFVYSPQEANSTTQTVLWQRRLSDLLKGQSTIILGSMDFTQRWSTNLSQLYFKHKLAPFILTPIYCQGGVVLPLLIENPNIELSAYEISLPLRWMHYRLFCGIEHNLSQKQKLIGLNPYILEYHRVGGTLTTYQIQVDPLILNQHEDTTDGMLSSIVGFSFSNFNIERKWLVSLALTLAFWFHATAKNKINSVDDLLNSPIVLATVAIAVTNYFNVMESDEKTVEHYGVLIKFLQKKLSDRISSSSSLSVDSSIVHHFTSIHTVYNYLRSLTYLIDELLPSDRKSNCLSFLPSWIFFPSGHLFHSLAIDIESLKPDDRYRLTLRYWLPRLYRIPKLNAEFAMKLQKLAEIYEHVIGIASEMIRLPVSAPNIVYQKVPTTIPVIDLLKNEMPSNAPSSVRTTNTEKSLQDKSEVIKRSHSSINIKSDAPLSKPKQSLNALPIRHYSEKALVTSKKQSRKLPYHLRSTGYAARLRARLEETE
					

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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	54.8	Low	73.5	Confident	35 Å²	35	40.4 Å²	40.4	17%	0.172	23%	0.228	C	C	.	.				0	70.3	0	-63.8	-175.2	-176.1	0	0	110.4	I3 V84 E165 L240 D245 S246 Y317	M1-I3 VanDerWaalsContact O-CG1 3.24Å; M1-I3 WeakPolarHBondContact O-CG1 3.31Å; M1-I3 PolarHBondContact O-N 3.36Å; M1-V84 HydrophobicContact CE-CG2 3.47Å; M1-V84 VanDerWaalsContact CE-CG2 3.47Å; M1-E165 VanDerWaalsContact CA-OE1 3.23Å; M1-E165 WeakPolarHBondContact CA-OE1 3.22Å; M1-E165 HydrophobicContact CB-CG 4.36Å; M1-E165 PolarHBondContact N-OE1 3.47Å; M1-E165 VanDerWaalsContact O-OE1 3.09Å; M1-L240 HydrophobicContact SD-CD2 4.47Å; M1-D245 WeakPolarHBondContact CA-OD1 3.47Å; M1-D245 WeakPolarHBondContact CA-OD2 3.38Å; M1-D245 WeakPolarHBondContact CB-OD1 3.32Å; M1-D245 VanDerWaalsContact CG-OD1 3.27Å; M1-D245 WeakPolarHBondContact CG-OD1 3.46Å; M1-S246 PolarHBondContact SD-OG 2.97Å; M1-Y317 HydrophobicContact SD-CE2 4Å; M1-Y317 PolarHBondContact SD-OH 2.81Å
2	P	61.2	Low	73.8	Confident	84 Å²	84	47.3 Å²	47.3	55%	0.545	26%	0.257	S	S	.	.			trans	-59.9	108.5	-169.2	25.6	-35	0	0	0	111.7	P4 D245	P2-P4 WeakPolarHBondContact O-CD 3.33Å; P2-P4 WeakPolarHBondContact O-CG 2.89Å; P2-D245 WeakPolarHBondContact CD-OD2 3.13Å
3	I	67.8	Low	74.1	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.01	26%	0.26	C	S	.	.			trans	-82.8	98.5	-178.8	-46.2	-174.2	0	0	0	108.1	M1 E5 L6 P164 E165 L168 L242 T244	M1-I3 VanDerWaalsContact O-CG1 3.24Å; M1-I3 WeakPolarHBondContact O-CG1 3.31Å; M1-I3 PolarHBondContact O-N 3.36Å; I3-E5 PolarHBondContact O-N 2.84Å; I3-L6 HydrophobicContact CB-CB 4.01Å; I3-L6 HydrophobicContact CB-CD2 4.1Å; I3-L6 HydrophobicContact CD1-CD2 3.94Å; I3-L6 HydrophobicContact CG2-CB 3.92Å; I3-L6 HydrophobicContact CG2-CD2 4.04Å; I3-L6 WeakPolarHBondContact O-CB 3.3Å; I3-L6 PolarHBondContact O-N 2.89Å; I3-L6 VanDerWaalsContact O-N 3.12Å; I3-P164 HydrophobicContact CB-CB 4.42Å; I3-P164 HydrophobicContact CB-CG 4.33Å; I3-E165 HydrophobicContact CD1-CG 4.24Å; I3-E165 HydrophobicContact CG1-CG 4.33Å; I3-L168 HydrophobicContact CD1-CD1 3.42Å; I3-L168 VanDerWaalsContact CD1-CD1 3.42Å; I3-L242 HydrophobicContact CG2-CB 4.25Å; I3-L242 HydrophobicContact CG2-CD1 4.05Å; I3-T244 HydrophobicContact CD1-CG2 4.44Å; I3-T244 HydrophobicContact CG1-CG2 3.99Å
4	P	65.8	Low	74.4	Confident	62 Å²	62	50.9 Å²	50.9	40%	0.403	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	138.6	-161.4	-13.7	30.3	0	0	0	110.8	P2 L6 K269	P2-P4 WeakPolarHBondContact O-CD 3.33Å; P2-P4 WeakPolarHBondContact O-CG 2.89Å; P4-L6 VanDerWaalsContact C-N 3.29Å; P4-L6 PolarHBondContact O-N 3.02Å; P4-K269 WeakPolarHBondContact O-CD 3.23Å
5	E	74.2	Confident	74.8	Confident	72 Å²	72	54.2 Å²	54.2	34%	0.336	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	-13.2	-168	-55.4	178.1	-129.2	0	0	116.3	I3 S7 N8 I9 S267 K269	I3-E5 PolarHBondContact O-N 2.84Å; E5-S7 PolarHBondContact O-N 2.98Å; E5-N8 CarbonylContact O-C 3.56Å; E5-N8 WeakPolarHBondContact O-CA 3.49Å; E5-N8 WeakPolarHBondContact O-CB 3.44Å; E5-N8 PolarHBondContact O-N 3.2Å; E5-I9 WeakPolarHBondContact O-CG1 3.32Å; E5-I9 PolarHBondContact O-N 2.98Å; E5-S267 VanDerWaalsContact OE2-CB 3.26Å; E5-S267 WeakPolarHBondContact OE2-CB 3.45Å; E5-S267 PolarHBondContact OE2-OG 3.46Å; E5-K269 HydrophobicContact CB-CB 4.45Å; E5-K269 HydrophobicContact CG-CD 4.36Å
6	L	80.7	Confident	75.4	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.5	-44.3	-175.6	-176.9	60.3	0	0	0	113.2	I3 P4 N8 I9 L10 P164 L168 F273	I3-L6 HydrophobicContact CB-CB 4.01Å; I3-L6 HydrophobicContact CB-CD2 4.1Å; I3-L6 HydrophobicContact CD1-CD2 3.94Å; I3-L6 HydrophobicContact CG2-CB 3.92Å; I3-L6 HydrophobicContact CG2-CD2 4.04Å; I3-L6 WeakPolarHBondContact O-CB 3.3Å; I3-L6 PolarHBondContact O-N 2.89Å; I3-L6 VanDerWaalsContact O-N 3.12Å; P4-L6 VanDerWaalsContact C-N 3.29Å; P4-L6 PolarHBondContact O-N 3.02Å; L6-N8 VanDerWaalsContact C-N 3.27Å; L6-N8 PolarHBondContact O-N 3.32Å; L6-I9 PolarHBondContact O-N 3.34Å; L6-L10 HydrophobicContact CD1-CD1 3.79Å; L6-L10 HydrophobicContact CD1-CG 4.09Å; L6-L10 HydrophobicContact CG-CD1 4.13Å; L6-L10 PolarHBondContact O-N 3.46Å; L6-P164 HydrophobicContact CB-CB 3.85Å; L6-P164 HydrophobicContact CD2-CB 4.06Å; L6-P164 HydrophobicContact CG-CB 4.1Å; L6-L168 HydrophobicContact CD2-CD1 3.95Å; L6-L168 HydrophobicContact CD2-CD2 3.8Å; L6-L168 HydrophobicContact CD2-CG 3.89Å; L6-F273 HydrophobicContact CD1-CD2 4.21Å; L6-F273 HydrophobicContact CD1-CE2 3.85Å; L6-F273 HydrophobicContact CD1-CZ 4.34Å
7	S	80.1	Confident	76.1	Confident	25 Å²	25	50.2 Å²	50.2	18%	0.175	27%	0.267	C	S	.	.	H	α-helix	trans	-60.5	-37.9	172.5	-43.9	0	0	0	0	111.7	E5 I9 L11 P164	E5-S7 PolarHBondContact O-N 2.98Å; S7-I9 VanDerWaalsContact C-N 3.31Å; S7-I9 PolarHBondContact O-N 3.42Å; S7-L11 WeakPolarHBondContact O-CB 3.31Å; S7-L11 WeakPolarHBondContact O-CD1 3.45Å; S7-L11 WeakPolarHBondContact O-CG 3.29Å; S7-L11 PolarHBondContact O-N 3.11Å; S7-P164 WeakPolarHBondContact OG-CB 3.46Å
8	N	79.5	Confident	76.9	Confident	103 Å²	103	52.8 Å²	52.8	55%	0.551	28%	0.276	S	S	*	.	H	α-helix	trans	-69.5	-28.5	178.9	-69.5	-20	0	0	0	112.6	E5 L6 Q12	E5-N8 CarbonylContact O-C 3.56Å; E5-N8 WeakPolarHBondContact O-CA 3.49Å; E5-N8 WeakPolarHBondContact O-CB 3.44Å; E5-N8 PolarHBondContact O-N 3.2Å; L6-N8 VanDerWaalsContact C-N 3.27Å; L6-N8 PolarHBondContact O-N 3.32Å; N8-Q12 WeakPolarHBondContact O-CG 3.33Å; N8-Q12 PolarHBondContact O-NE2 3.02Å
9	I	80.5	Confident	77.6	Confident	4 Å²	4	55 Å²	55	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-70.4	-59.2	173.2	-66.2	163	0	0	0	108.7	E5 L6 S7 Q12 F270 F273	E5-I9 WeakPolarHBondContact O-CG1 3.32Å; E5-I9 PolarHBondContact O-N 2.98Å; L6-I9 PolarHBondContact O-N 3.34Å; S7-I9 VanDerWaalsContact C-N 3.31Å; S7-I9 PolarHBondContact O-N 3.42Å; I9-Q12 PolarHBondContact O-N 3.34Å; I9-F270 HydrophobicContact CG1-CD2 3.78Å; I9-F270 HydrophobicContact CG1-CE2 4.34Å; I9-F270 HydrophobicContact CG2-CE2 4.32Å; I9-F273 HydrophobicContact CD1-CB 3.9Å; I9-F273 HydrophobicContact CD1-CD1 4.16Å; I9-F273 HydrophobicContact CD1-CG 4.01Å; I9-F273 HydrophobicContact CG2-CD1 3.68Å; I9-F273 HydrophobicContact CG2-CE1 3.65Å; I9-F273 HydrophobicContact CG2-CZ 4.47Å
10	L	82.3	Confident	78.3	Confident	13 Å²	13	52.9 Å²	52.9	7%	0.068	28%	0.281	C	S	.	.	H	α-helix	trans	-73.6	-39.7	-168	-62.9	176.7	0	0	0	113	L6 Q12 E13 F17 F167 F273	L6-L10 HydrophobicContact CD1-CD1 3.79Å; L6-L10 HydrophobicContact CD1-CG 4.09Å; L6-L10 HydrophobicContact CG-CD1 4.13Å; L6-L10 PolarHBondContact O-N 3.46Å; L10-Q12 PolarHBondContact O-N 2.76Å; L10-Q12 VanDerWaalsContact O-N 3.07Å; L10-E13 PolarHBondContact O-N 3.04Å; L10-F17 WeakPolarHBondContact O-CE2 3.27Å; L10-F167 HydrophobicContact CD1-CB 3.38Å; L10-F167 HydrophobicContact CD1-CD1 4.23Å; L10-F167 HydrophobicContact CD1-CD2 3.9Å; L10-F167 HydrophobicContact CD1-CG 3.61Å; L10-F273 HydrophobicContact CD2-CE1 4.41Å; L10-F273 HydrophobicContact CD2-CZ 4.1Å
11	L	81.9	Confident	79	Confident	44 Å²	44	55.1 Å²	55.1	23%	0.23	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-7.3	176.6	-63.8	169.5	0	0	0	113.9	S7 F17 F167 P184 L187	S7-L11 WeakPolarHBondContact O-CB 3.31Å; S7-L11 WeakPolarHBondContact O-CD1 3.45Å; S7-L11 WeakPolarHBondContact O-CG 3.29Å; S7-L11 PolarHBondContact O-N 3.11Å; L11-F17 HydrophobicContact CD2-CZ 3.93Å; L11-F167 HydrophobicContact CD2-CZ 3.89Å; L11-F167 HydrophobicContact CG-CZ 4.15Å; L11-P184 HydrophobicContact CD2-CB 4.32Å; L11-P184 HydrophobicContact CD2-CG 4.33Å; L11-L187 HydrophobicContact CD2-CD1 3.64Å; L11-L187 HydrophobicContact CD2-CD2 4.26Å; L11-L187 HydrophobicContact CD2-CG 3.88Å
12	Q	76.8	Confident	80.8	Confident	123 Å²	123	53.8 Å²	53.8	58%	0.575	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-12.6	172	-72	178.4	39.2	0	0	113.1	N8 I9 L10 F14	N8-Q12 WeakPolarHBondContact O-CG 3.33Å; N8-Q12 PolarHBondContact O-NE2 3.02Å; I9-Q12 PolarHBondContact O-N 3.34Å; L10-Q12 PolarHBondContact O-N 2.76Å; L10-Q12 VanDerWaalsContact O-N 3.07Å; Q12-F14 WeakPolarHBondContact O-CD2 3.28Å; Q12-F14 WeakPolarHBondContact O-CE2 3.38Å
13	E	77.9	Confident	82.3	Confident	64 Å²	64	50.4 Å²	50.4	30%	0.299	26%	0.26	S	S	.	.			trans	-104.7	82.9	-175.6	-69.6	-179	179.1	0	0	110.6	L10 V15 N16	L10-E13 PolarHBondContact O-N 3.04Å; E13-V15 HydrophobicContact CB-CG2 4.39Å; E13-V15 PolarHBondContact O-N 3.3Å; E13-N16 WeakPolarHBondContact CB-ND2 3.35Å; E13-N16 WeakPolarHBondContact O-CB 3.34Å; E13-N16 PolarHBondContact O-N 3.09Å; E13-N16 PolarHBondContact O-ND2 3.26Å; E13-N16 PolarHBondContact OE2-ND2 3.22Å
14	F	77.5	Confident	83.4	Confident	81 Å²	81	53.1 Å²	53.1	36%	0.355	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-55.5	-20	-179	-61	-84.1	0	0	0	114.7	Q12 N16 F17 Y814 L818	Q12-F14 WeakPolarHBondContact O-CD2 3.28Å; Q12-F14 WeakPolarHBondContact O-CE2 3.38Å; F14-N16 PolarHBondContact O-N 3.04Å; F14-F17 PolarHBondContact O-N 3.18Å; F14-Y814 HydrophobicContact CD2-CE1 4.14Å; F14-Y814 HydrophobicContact CE1-CE1 4.13Å; F14-Y814 AromaticContact CE2-CD1 3.73Å; F14-Y814 HydrophobicContact CE2-CD1 3.73Å; F14-Y814 AromaticContact CE2-CE1 3.25Å; F14-Y814 HydrophobicContact CE2-CE1 3.25Å; F14-Y814 HydrophobicContact CE2-CE2 4.29Å; F14-Y814 HydrophobicContact CE2-CG 4.45Å; F14-Y814 AromaticContact CE2-CZ 3.56Å; F14-Y814 AromaticContact CZ-CD1 3.75Å; F14-Y814 HydrophobicContact CZ-CD1 3.75Å; F14-Y814 AromaticContact CZ-CE1 3.26Å; F14-Y814 HydrophobicContact CZ-CE1 3.26Å; F14-Y814 AromaticContact CZ-CZ 3.99Å; F14-L818 HydrophobicContact CE1-CD2 3.98Å; F14-L818 HydrophobicContact CZ-CD2 4.15Å
15	V	81.4	Confident	84.6	Confident	101 Å²	101	53.4 Å²	53.4	61%	0.612	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-66.4	-16.9	173	-62.4	0	0	0	0	113.7	E13 F17	E13-V15 HydrophobicContact CB-CG2 4.39Å; E13-V15 PolarHBondContact O-N 3.3Å; V15-F17 VanDerWaalsContact C-N 3.31Å
16	N	83.7	Confident	85.6	Confident	12 Å²	12	52.1 Å²	52.1	6%	0.064	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-90.7	12.7	174.4	-62	-57.1	0	0	0	113	E13 F14 F223 I224 Q226	E13-N16 WeakPolarHBondContact CB-ND2 3.35Å; E13-N16 WeakPolarHBondContact O-CB 3.34Å; E13-N16 PolarHBondContact O-N 3.09Å; E13-N16 PolarHBondContact O-ND2 3.26Å; E13-N16 PolarHBondContact OE2-ND2 3.22Å; F14-N16 PolarHBondContact O-N 3.04Å; N16-F223 HydrophobicContact CB-CD2 4.06Å; N16-F223 HydrophobicContact CB-CE2 3.76Å; N16-F223 WeakPolarHBondContact O-CA 3.23Å; N16-F223 WeakPolarHBondContact O-CD2 3.1Å; N16-I224 CarbonylContact C-O 3.57Å; N16-I224 WeakPolarHBondContact CA-O 3.09Å; N16-I224 CarbonylContact O-C 3.48Å; N16-I224 PolarHBondContact O-N 3.37Å; N16-Q226 WeakPolarHBondContact OD1-CB 3.14Å; N16-Q226 PolarHBondContact OD1-N 3.28Å
17	F	88.3	Confident	86.3	Confident	28 Å²	28	52.1 Å²	52.1	12%	0.123	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	132.6	-176	-65.8	-79	0	0	0	112.9	L10 L11 F14 V15 F167 P184 L187 H221 E222 F223	L10-F17 WeakPolarHBondContact O-CE2 3.27Å; L11-F17 HydrophobicContact CD2-CZ 3.93Å; F14-F17 PolarHBondContact O-N 3.18Å; V15-F17 VanDerWaalsContact C-N 3.31Å; F17-F167 HydrophobicContact CE1-CE1 4.12Å; F17-F167 AromaticContact CZ-CE1 3.86Å; F17-F167 HydrophobicContact CZ-CE1 3.86Å; F17-F167 HydrophobicContact CZ-CZ 4.4Å; F17-P184 HydrophobicContact CE1-CG 3.96Å; F17-L187 HydrophobicContact CD1-CD1 3.69Å; F17-L187 HydrophobicContact CD2-CD1 4.46Å; F17-L187 HydrophobicContact CE1-CD1 3.53Å; F17-L187 HydrophobicContact CE2-CD1 4.32Å; F17-L187 HydrophobicContact CG-CD1 4.17Å; F17-L187 HydrophobicContact CZ-CD1 3.87Å; F17-H221 HydrophobicContact CB-CB 4.32Å; F17-H221 HydrophobicContact CD1-CB 4.11Å; F17-E222 VanDerWaalsContact CA-O 3.29Å; F17-E222 WeakPolarHBondContact CA-O 3.47Å; F17-F223 HydrophobicContact CD1-CB 4.3Å; F17-F223 HydrophobicContact CD1-CD2 4.49Å; F17-F223 HydrophobicContact CE1-CB 3.86Å; F17-F223 AromaticContact CE1-CD2 3.84Å; F17-F223 HydrophobicContact CE1-CD2 3.84Å; F17-F223 HydrophobicContact CE1-CG 4.34Å; F17-F223 HydrophobicContact CE2-CD2 4.49Å; F17-F223 AromaticContact CZ-CD2 3.84Å; F17-F223 HydrophobicContact CZ-CD2 3.84Å
18	K	89.4	Confident	87.1	Confident	98 Å²	98	51 Å²	51	43%	0.426	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	130.7	168.7	172	-169.6	159.3	-143.5	0	108.6	S20 H221 E222 I224	K18-S20 WeakPolarHBondContact CE-OG 3.29Å; K18-S20 PolarHBondContact NZ-OG 3.3Å; K18-S20 VanDerWaalsContact NZ-OG 3.13Å; K18-H221 CarbonylContact O-C 3.5Å; K18-H221 WeakPolarHBondContact O-CA 3.4Å; K18-E222 PolarHBondContact N-O 2.93Å; K18-E222 IonicContact NZ-OE1 3.2Å; K18-E222 IonicContact NZ-OE2 3.39Å; K18-E222 PolarHBondContact NZ-OE2 3.02Å; K18-E222 PolarHBondContact O-N 3.41Å; K18-I224 HydrophobicContact CB-CD1 3.69Å; K18-I224 HydrophobicContact CB-CG1 4.07Å; K18-I224 HydrophobicContact CD-CD1 3.56Å; K18-I224 HydrophobicContact CG-CD1 4.27Å
19	V	91.5	Very high	88	Confident	94 Å²	94	46.1 Å²	46.1	57%	0.57	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	127.6	168	-175	0	0	0	0	108.2	T219 V220	V19-T219 HydrophobicContact CG1-CG2 3.89Å; V19-V220 WeakPolarHBondContact CA-O 3.39Å
20	S	90.9	Very high	88.8	Confident	12 Å²	12	45.9 Å²	45.9	8%	0.084	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	155.6	176.4	-79.1	0	0	0	0	111.5	K18 V220 E222	K18-S20 WeakPolarHBondContact CE-OG 3.29Å; K18-S20 PolarHBondContact NZ-OG 3.3Å; K18-S20 VanDerWaalsContact NZ-OG 3.13Å; S20-V220 PolarHBondContact N-O 3.41Å; S20-V220 PolarHBondContact O-N 3.18Å; S20-E222 WeakPolarHBondContact CB-OE1 3.42Å; S20-E222 PolarHBondContact OG-OE1 2.67Å; S20-E222 PolarHBondContact OG-OE2 3.4Å
21	Q	92.2	Very high	89.4	Confident	100 Å²	100	45.3 Å²	45.3	47%	0.467	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	101.2	172.8	-62.3	177.4	-79.4	0	0	107.1	H23 F195 F217	Q21-H23 PolarHBondContact O-CD2 2.91Å; Q21-F195 HydrophobicContact CB-CE1 4.44Å; Q21-F195 HydrophobicContact CB-CZ 4.15Å; Q21-F217 HydrophobicContact CB-CB 3.89Å; Q21-F217 HydrophobicContact CB-CD2 3.55Å; Q21-F217 HydrophobicContact CB-CE2 4.22Å; Q21-F217 HydrophobicContact CB-CG 3.72Å; Q21-F217 HydrophobicContact CG-CD2 3.55Å; Q21-F217 HydrophobicContact CG-CE2 3.68Å; Q21-F217 HydrophobicContact CG-CG 4.05Å; Q21-F217 HydrophobicContact CG-CZ 4.29Å; Q21-F217 VanDerWaalsContact NE2-CE1 3.26Å
22	L	93.3	Very high	89.9	Confident	7 Å²	7	44.7 Å²	44.7	4%	0.037	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	116	-178.8	-177.9	64.8	0	0	0	109.7	N25 V27 I71 I160 I183 F217 L218 V220	L22-N25 HydrophobicContact CD1-CB 3.93Å; L22-V27 HydrophobicContact CD1-CG1 4.4Å; L22-V27 HydrophobicContact CD2-CG1 4.36Å; L22-I71 HydrophobicContact CB-CD1 4.41Å; L22-I71 HydrophobicContact CD2-CD1 3.9Å; L22-I71 HydrophobicContact CD2-CG1 4.49Å; L22-I71 HydrophobicContact CG-CD1 3.77Å; L22-I71 HydrophobicContact CG-CG1 4.12Å; L22-I160 HydrophobicContact CD2-CD1 4.3Å; L22-I183 HydrophobicContact CD2-CD1 4.22Å; L22-F217 CarbonylContact O-C 3.4Å; L22-F217 WeakPolarHBondContact O-CA 3.41Å; L22-L218 PolarHBondContact N-O 3.34Å; L22-L218 PolarHBondContact O-N 2.84Å; L22-V220 HydrophobicContact CB-CG1 3.87Å; L22-V220 HydrophobicContact CB-CG2 3.89Å; L22-V220 HydrophobicContact CD2-CG1 3.98Å
23	H	92.9	Very high	90.7	Very high	13 Å²	13	40 Å²	40	6%	0.06	21%	0.207	C	C	.	.			trans	-151.1	164	172.8	69	109.4	0	0	0	110	Q21 N25 C69 F195 C199 Y200 R216 F217	Q21-H23 PolarHBondContact O-CD2 2.91Å; H23-N25 WeakPolarHBondContact O-CB 3.28Å; H23-N25 VanDerWaalsContact O-CG 3.31Å; H23-N25 PolarHBondContact O-N 3.13Å; H23-N25 PolarHBondContact O-ND2 3.14Å; H23-C69 VanDerWaalsContact CA-O 3.23Å; H23-C69 WeakPolarHBondContact CA-O 3.46Å; H23-C69 WeakPolarHBondContact CB-O 3.38Å; H23-F195 AromaticContact CD2-CE2 3.86Å; H23-F195 AromaticContact CD2-CZ 3.65Å; H23-F195 AromaticContact CG-CE2 3.99Å; H23-F195 AromaticContact NE2-CE2 3.99Å; H23-F195 AromaticContact NE2-CZ 3.61Å; H23-C199 VanDerWaalsContact CE1-SG 3.53Å; H23-Y200 AromaticContact CE1-CE1 3.46Å; H23-Y200 VanDerWaalsContact CE1-CE1 3.46Å; H23-Y200 WeakPolarHBondContact CE1-CE1 3.47Å; H23-Y200 AromaticContact CE1-CZ 3.71Å; H23-Y200 PolarHBondContact CE1-OH 2.91Å; H23-Y200 AromaticContact NE2-CE1 3.53Å; H23-R216 WeakPolarHBondContact CB-O 3.1Å; H23-F217 HydrophobicContact CB-CB 4.07Å
24	N	90.9	Very high	91.6	Very high	59 Å²	59	37 Å²	37	32%	0.316	19%	0.193	S	C	.	.	S	Bend	trans	51.5	24.6	171	-155.9	78.2	0	0	0	115.9	C69 K70	N24-C69 PolarHBondContact N-O 3.27Å; N24-K70 CarbonylContact C-O 3.52Å; N24-K70 WeakPolarHBondContact CA-O 3.1Å; N24-K70 HydrophobicContact CB-CB 4.25Å; N24-K70 PolarHBondContact N-O 3.49Å; N24-K70 VanDerWaalsContact OD1-CD 3.25Å; N24-K70 WeakPolarHBondContact OD1-CD 3.34Å
25	N	91	Very high	92.3	Very high	69 Å²	69	33.4 Å²	33.4	37%	0.369	18%	0.178	S	C	.	.			trans	-122.8	137.3	-170.5	-83.2	-22.5	0	0	0	111.4	L22 H23 K70 I71 Y72	L22-N25 HydrophobicContact CD1-CB 3.93Å; H23-N25 WeakPolarHBondContact O-CB 3.28Å; H23-N25 VanDerWaalsContact O-CG 3.31Å; H23-N25 PolarHBondContact O-N 3.13Å; H23-N25 PolarHBondContact O-ND2 3.14Å; N25-K70 PolarHBondContact N-O 2.78Å; N25-I71 WeakPolarHBondContact O-CA 3.43Å; N25-Y72 PolarHBondContact O-N 3.1Å
26	P	94.9	Very high	92.7	Very high	45 Å²	45	30 Å²	30	29%	0.292	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	143.3	165.6	34.6	-35.5	0	0	0	110.6	Y72 H157 P158	P26-Y72 VanDerWaalsContact CA-O 3.31Å; P26-Y72 WeakPolarHBondContact CA-O 3.42Å; P26-H157 WeakPolarHBondContact CB-NE2 3.31Å; P26-H157 WeakPolarHBondContact CG-CE1 3.31Å; P26-H157 WeakPolarHBondContact CG-NE2 3.44Å; P26-P158 WeakPolarHBondContact O-CD 3.49Å
27	V	96	Very high	93	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	145	-173.3	-53.2	0	0	0	0	111.5	L22 I29 I71 Y72 P73 S74 P158 I160	L22-V27 HydrophobicContact CD1-CG1 4.4Å; L22-V27 HydrophobicContact CD2-CG1 4.36Å; V27-I29 HydrophobicContact CG2-CD1 4.18Å; V27-I29 HydrophobicContact CG2-CG1 4.02Å; V27-I71 HydrophobicContact CG1-CG2 3.98Å; V27-I71 HydrophobicContact CG2-CG2 3.79Å; V27-Y72 PolarHBondContact N-O 3.27Å; V27-P73 HydrophobicContact CG2-CB 4.03Å; V27-P73 CarbonylContact O-C 3.57Å; V27-P73 WeakPolarHBondContact O-CA 3.36Å; V27-S74 PolarHBondContact O-N 3.11Å; V27-P158 HydrophobicContact CB-CG 4.29Å; V27-P158 HydrophobicContact CG1-CG 3.8Å; V27-I160 HydrophobicContact CB-CD1 4.08Å; V27-I160 HydrophobicContact CB-CG1 4.45Å; V27-I160 HydrophobicContact CG1-CD1 4.36Å; V27-I160 HydrophobicContact CG2-CD1 3.81Å
28	I	96.7	Very high	93.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.3	171.2	-56.7	-50.7	0	0	0	108.7	S74 L76 C148 L151 A152 L155 H157 P158 I159 I160	I28-S74 WeakPolarHBondContact CA-O 3.19Å; I28-L76 HydrophobicContact CG2-CD1 4.01Å; I28-L76 HydrophobicContact CG2-CG 4.48Å; I28-C148 HydrophobicContact CG2-CB 4.41Å; I28-L151 HydrophobicContact CD1-CD2 3.81Å; I28-L151 HydrophobicContact CD1-CG 4.11Å; I28-A152 HydrophobicContact CB-CB 4.41Å; I28-A152 HydrophobicContact CG1-CB 3.98Å; I28-L155 HydrophobicContact CD1-CD1 4.44Å; I28-H157 HydrophobicContact CD1-CB 4.33Å; I28-H157 HydrophobicContact CG1-CB 3.93Å; I28-P158 PolarHBondContact N-O 2.96Å; I28-I159 CarbonylContact O-C 3.57Å; I28-I159 WeakPolarHBondContact O-CA 3.37Å; I28-I160 PolarHBondContact O-N 2.74Å
29	I	97.5	Very high	93.1	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	128.3	177.5	-50	-164.1	0	0	0	109.8	V27 G31 F34 I66 P73 S74 F75 L76 I160	V27-I29 HydrophobicContact CG2-CD1 4.18Å; V27-I29 HydrophobicContact CG2-CG1 4.02Å; I29-G31 PolarHBondContact O-N 2.86Å; I29-G31 VanDerWaalsContact O-N 3.12Å; I29-F34 HydrophobicContact CG2-CB 3.94Å; I29-F34 HydrophobicContact CG2-CD2 3.71Å; I29-F34 HydrophobicContact CG2-CG 4.07Å; I29-I66 HydrophobicContact CD1-CD1 4.37Å; I29-P73 HydrophobicContact CD1-CB 3.61Å; I29-P73 HydrophobicContact CG1-CB 4.09Å; I29-S74 PolarHBondContact N-O 3.28Å; I29-F75 HydrophobicContact CB-CD1 3.87Å; I29-F75 HydrophobicContact CB-CE1 3.89Å; I29-F75 HydrophobicContact CB-CG 4.22Å; I29-F75 HydrophobicContact CB-CZ 4.26Å; I29-F75 HydrophobicContact CD1-CE1 4.24Å; I29-F75 HydrophobicContact CD1-CE2 4.07Å; I29-F75 HydrophobicContact CD1-CZ 3.78Å; I29-F75 HydrophobicContact CG1-CZ 4.47Å; I29-F75 HydrophobicContact CG2-CD1 3.86Å; I29-F75 HydrophobicContact CG2-CE1 3.56Å; I29-F75 HydrophobicContact CG2-CZ 4.16Å; I29-F75 WeakPolarHBondContact O-CA 3.14Å; I29-L76 PolarHBondContact O-N 3.45Å; I29-I160 WeakPolarHBondContact CA-O 3.42Å; I29-I160 HydrophobicContact CD1-CD1 4.26Å; I29-I160 HydrophobicContact CG1-CB 4.16Å; I29-I160 HydrophobicContact CG1-CD1 4.38Å
30	D	96.7	Very high	93	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	102	167.9	-175.9	-38.3	0	0	0	108.5	E32 D33 F34 R144 I160 A161 Y166	D30-E32 VanDerWaalsContact C-N 3.26Å; D30-E32 PolarHBondContact O-N 3.26Å; D30-E32 PolarHBondContact OD1-N 3.21Å; D30-D33 HydrophobicContact CB-CB 4.02Å; D30-D33 PolarHBondContact O-N 2.97Å; D30-D33 PolarHBondContact OD1-N 3.02Å; D30-F34 WeakPolarHBondContact O-CB 3.19Å; D30-F34 PolarHBondContact O-N 2.9Å; D30-R144 VanDerWaalsContact CG-NE 3.33Å; D30-R144 WeakPolarHBondContact OD1-CD 3.31Å; D30-R144 IonicContact OD1-CZ 3.24Å; D30-R144 IonicContact OD1-NE 3.34Å; D30-R144 PolarHBondContact OD1-NE 3.49Å; D30-R144 VanDerWaalsContact OD1-NE 3.16Å; D30-R144 IonicContact OD1-NH2 2.68Å; D30-R144 WeakPolarHBondContact OD2-CD 3.33Å; D30-R144 IonicContact OD2-CZ 2.67Å; D30-R144 IonicContact OD2-NE 3.87Å; D30-R144 PolarHBondContact OD2-NE 2.92Å; D30-R144 IonicContact OD2-NH2 3.7Å; D30-R144 PolarHBondContact OD2-NH2 3.28Å; D30-I160 PolarHBondContact N-O 2.66Å; D30-A161 HydrophobicContact CB-CB 3.62Å; D30-Y166 HydrophobicContact CB-CE2 4.45Å; D30-Y166 PolarHBondContact OD2-OH 2.81Å
31	G	96.4	Very high	92.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-68.8	-22.5	-173	0	0	0	0	0	113.9	I29 S35 L76 F77 L126	I29-G31 PolarHBondContact O-N 2.86Å; I29-G31 VanDerWaalsContact O-N 3.12Å; G31-S35 VanDerWaalsContact O-CB 3.26Å; G31-S35 WeakPolarHBondContact O-CB 3.21Å; G31-S35 PolarHBondContact O-N 3.22Å; G31-S35 VanDerWaalsContact O-N 3.09Å; G31-S35 PolarHBondContact O-OG 3.12Å; G31-L76 PolarHBondContact N-O 2.95Å; G31-F77 VanDerWaalsContact C-CE1 3.47Å; G31-L126 WeakPolarHBondContact O-CD2 3.41Å
32	E	92.8	Very high	92.6	Very high	31 Å²	31	28.9 Å²	28.9	15%	0.145	15%	0.152	C	C	.	.	H	α-helix	trans	-76.7	-52.1	175.3	-58.3	179.6	-146.3	0	0	110.3	D30 F34 S35 G36 F77 G78 R144	D30-E32 VanDerWaalsContact C-N 3.26Å; D30-E32 PolarHBondContact O-N 3.26Å; D30-E32 PolarHBondContact OD1-N 3.21Å; E32-F34 VanDerWaalsContact C-N 3.28Å; E32-F34 PolarHBondContact O-N 3Å; E32-S35 PolarHBondContact O-N 3.05Å; E32-S35 PolarHBondContact O-OG 3.47Å; E32-G36 PolarHBondContact O-N 3.42Å; E32-F77 HydrophobicContact CG-CB 4.46Å; E32-F77 HydrophobicContact CG-CD1 3.93Å; E32-G78 WeakPolarHBondContact OE1-CA 3.45Å; E32-G78 PolarHBondContact OE1-N 3.16Å; E32-R144 WeakPolarHBondContact OE1-CD 3.4Å; E32-R144 VanDerWaalsContact OE2-CD 3.22Å; E32-R144 WeakPolarHBondContact OE2-CD 3.37Å; E32-R144 IonicContact OE2-CZ 3.46Å; E32-R144 IonicContact OE2-NE 2.69Å; E32-R144 IonicContact OE2-NH1 3.56Å; E32-R144 PolarHBondContact OE2-NH1 3.01Å
33	D	93.2	Very high	92.4	Very high	24 Å²	24	37.2 Å²	37.2	13%	0.128	19%	0.188	C	C	.	.	H	α-helix	trans	-57.9	-42.4	175.2	-88.7	-0.8	0	0	0	111.5	D30 Y37 R144 S162 S163	D30-D33 HydrophobicContact CB-CB 4.02Å; D30-D33 PolarHBondContact O-N 2.97Å; D30-D33 PolarHBondContact OD1-N 3.02Å; D33-Y37 WeakPolarHBondContact O-CB 3.39Å; D33-Y37 PolarHBondContact O-N 3.41Å; D33-R144 VanDerWaalsContact CG-NH2 3.26Å; D33-R144 IonicContact OD1-CZ 3.02Å; D33-R144 IonicContact OD1-NH1 3.41Å; D33-R144 IonicContact OD1-NH2 3.62Å; D33-R144 PolarHBondContact OD1-NH2 2.9Å; D33-R144 IonicContact OD2-NH2 2.68Å; D33-S162 PolarHBondContact OD2-N 2.92Å; D33-S163 PolarHBondContact OD1-OG 3.45Å; D33-S163 VanDerWaalsContact OD2-CB 3.31Å; D33-S163 WeakPolarHBondContact OD2-CB 3.34Å; D33-S163 PolarHBondContact OD2-N 3.25Å; D33-S163 PolarHBondContact OD2-OG 3.03Å
34	F	95.4	Very high	92.3	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-59.8	-48.9	175.7	-176.3	-87	0	0	0	111.6	I29 D30 E32 G36 Y37 F38 I59 F62 F75 L126 L185	I29-F34 HydrophobicContact CG2-CB 3.94Å; I29-F34 HydrophobicContact CG2-CD2 3.71Å; I29-F34 HydrophobicContact CG2-CG 4.07Å; D30-F34 WeakPolarHBondContact O-CB 3.19Å; D30-F34 PolarHBondContact O-N 2.9Å; E32-F34 VanDerWaalsContact C-N 3.28Å; E32-F34 PolarHBondContact O-N 3Å; F34-G36 PolarHBondContact O-N 3.4Å; F34-Y37 PolarHBondContact O-N 2.94Å; F34-F38 HydrophobicContact CD1-CD2 4.14Å; F34-F38 AromaticContact CD2-CD2 3.86Å; F34-F38 HydrophobicContact CD2-CD2 3.86Å; F34-F38 AromaticContact CD2-CE2 3.71Å; F34-F38 HydrophobicContact CD2-CE2 3.71Å; F34-F38 AromaticContact CE1-CD2 3.97Å; F34-F38 HydrophobicContact CE1-CD2 3.97Å; F34-F38 HydrophobicContact CE1-CE2 4.3Å; F34-F38 HydrophobicContact CE1-CG 4.49Å; F34-F38 AromaticContact CE2-CD2 3.65Å; F34-F38 HydrophobicContact CE2-CD2 3.65Å; F34-F38 AromaticContact CE2-CE2 3.22Å; F34-F38 HydrophobicContact CE2-CE2 3.22Å; F34-F38 HydrophobicContact CE2-CZ 4.02Å; F34-F38 HydrophobicContact CG-CD2 4.1Å; F34-F38 HydrophobicContact CG-CE2 4.42Å; F34-F38 AromaticContact CZ-CD2 3.71Å; F34-F38 HydrophobicContact CZ-CD2 3.71Å; F34-F38 AromaticContact CZ-CE2 3.57Å; F34-F38 HydrophobicContact CZ-CE2 3.57Å; F34-F38 HydrophobicContact CZ-CG 4.42Å; F34-F38 HydrophobicContact CZ-CZ 4.15Å; F34-F38 PolarHBondContact O-N 3.49Å; F34-I59 HydrophobicContact CE1-CD1 3.79Å; F34-I59 HydrophobicContact CE1-CG2 4.39Å; F34-I59 HydrophobicContact CZ-CD1 4.27Å; F34-F62 HydrophobicContact CE2-CD1 4.03Å; F34-F62 AromaticContact CE2-CE1 3.62Å; F34-F62 HydrophobicContact CE2-CE1 3.62Å; F34-F62 AromaticContact CZ-CD1 3.8Å; F34-F62 HydrophobicContact CZ-CD1 3.8Å; F34-F62 AromaticContact CZ-CE1 3.85Å; F34-F62 HydrophobicContact CZ-CE1 3.85Å; F34-F75 HydrophobicContact CB-CE1 4.27Å; F34-F75 AromaticContact CD1-CE1 3.71Å; F34-F75 HydrophobicContact CD1-CE1 3.71Å; F34-F75 HydrophobicContact CD1-CZ 4.39Å; F34-F75 AromaticContact CD2-CE1 4Å; F34-F75 HydrophobicContact CD2-CE1 4Å; F34-F75 HydrophobicContact CD2-CZ 4.43Å; F34-F75 AromaticContact CE1-CE1 3.92Å; F34-F75 HydrophobicContact CE1-CE1 3.92Å; F34-F75 HydrophobicContact CE1-CZ 4.16Å; F34-F75 HydrophobicContact CE2-CE1 4.21Å; F34-F75 HydrophobicContact CE2-CZ 4.21Å; F34-F75 AromaticContact CG-CE1 3.74Å; F34-F75 HydrophobicContact CG-CE1 3.74Å; F34-F75 HydrophobicContact CZ-CE1 4.17Å; F34-F75 HydrophobicContact CZ-CZ 4.07Å; F34-L126 HydrophobicContact CD1-CD1 4.12Å; F34-L126 HydrophobicContact CD1-CD2 3.75Å; F34-L126 HydrophobicContact CE1-CD1 3.87Å; F34-L126 HydrophobicContact CE1-CD2 4.34Å; F34-L185 HydrophobicContact CB-CD1 4.33Å; F34-L185 HydrophobicContact CD2-CD1 4.42Å; F34-L185 HydrophobicContact CD2-CD2 4.07Å
35	S	93.1	Very high	92.1	Very high	6 Å²	6	37.4 Å²	37.4	4%	0.042	19%	0.192	C	C	.	.	H	α-helix	trans	-62.6	-42.8	-177.7	72.2	0	0	0	0	112.7	G31 E32 Y39 Y55	G31-S35 VanDerWaalsContact O-CB 3.26Å; G31-S35 WeakPolarHBondContact O-CB 3.21Å; G31-S35 PolarHBondContact O-N 3.22Å; G31-S35 VanDerWaalsContact O-N 3.09Å; G31-S35 PolarHBondContact O-OG 3.12Å; E32-S35 PolarHBondContact O-N 3.05Å; E32-S35 PolarHBondContact O-OG 3.47Å; S35-Y39 PolarHBondContact O-N 3.22Å; S35-Y55 WeakPolarHBondContact CA-OH 3.48Å; S35-Y55 WeakPolarHBondContact CB-OH 3.26Å
36	G	89.1	Confident	91.7	Very high	29 Å²	29	35.1 Å²	35.1	30%	0.299	18%	0.18	S	C	.	.	H	α-helix	trans	-68.7	-48.9	175.6	0	0	0	0	0	112.2	E32 F34 F38 Y39 E40	E32-G36 PolarHBondContact O-N 3.42Å; F34-G36 PolarHBondContact O-N 3.4Å; G36-F38 PolarHBondContact O-N 3.41Å; G36-Y39 PolarHBondContact O-N 2.97Å; G36-E40 PolarHBondContact O-N 2.9Å; G36-E40 VanDerWaalsContact O-N 3.13Å
37	Y	90.5	Very high	91.2	Very high	42 Å²	42	37.8 Å²	37.8	17%	0.165	19%	0.187	C	C	.	.	H	α-helix	trans	-57.4	-48.8	-178.8	174.9	-89.5	0	0	0	112.1	D33 F34 Y39 E40 H41 L185 F190	D33-Y37 WeakPolarHBondContact O-CB 3.39Å; D33-Y37 PolarHBondContact O-N 3.41Å; F34-Y37 PolarHBondContact O-N 2.94Å; Y37-Y39 PolarHBondContact O-N 3.25Å; Y37-E40 PolarHBondContact O-N 3.32Å; Y37-H41 HydrophobicContact CD1-CB 4.39Å; Y37-H41 HydrophobicContact CE1-CB 4Å; Y37-H41 AromaticContact CE1-ND1 3.82Å; Y37-H41 AromaticContact CZ-ND1 3.47Å; Y37-H41 WeakPolarHBondContact O-CB 3.42Å; Y37-H41 PolarHBondContact O-N 3.12Å; Y37-H41 PolarHBondContact OH-ND1 3.43Å; Y37-L185 HydrophobicContact CD1-CB 3.95Å; Y37-L185 HydrophobicContact CD1-CD1 4.3Å; Y37-L185 HydrophobicContact CD2-CB 4.15Å; Y37-L185 HydrophobicContact CE1-CB 4.05Å; Y37-L185 HydrophobicContact CE2-CB 4.23Å; Y37-L185 HydrophobicContact CG-CB 4.01Å; Y37-L185 HydrophobicContact CG-CD1 4.2Å; Y37-L185 PolarHBondContact OH-O 2.66Å; Y37-L185 VanDerWaalsContact OH-O 3.13Å; Y37-F190 HydrophobicContact CD1-CZ 4.49Å; Y37-F190 AromaticContact CE1-CE2 3.68Å; Y37-F190 HydrophobicContact CE1-CE2 3.68Å; Y37-F190 AromaticContact CE1-CZ 3.46Å; Y37-F190 HydrophobicContact CE1-CZ 3.46Å; Y37-F190 VanDerWaalsContact CE1-CZ 3.46Å; Y37-F190 AromaticContact CZ-CZ 4Å
38	F	90.2	Very high	90.9	Very high	8 Å²	8	38.5 Å²	38.5	4%	0.035	19%	0.19	C	C	.	.	H	α-helix	trans	-65.3	-42.2	-177.6	-94.3	-94.1	0	0	0	112.2	F34 G36 E40 H41 L42 Y55 I59 F62 L185 F190	F34-F38 HydrophobicContact CD1-CD2 4.14Å; F34-F38 AromaticContact CD2-CD2 3.86Å; F34-F38 HydrophobicContact CD2-CD2 3.86Å; F34-F38 AromaticContact CD2-CE2 3.71Å; F34-F38 HydrophobicContact CD2-CE2 3.71Å; F34-F38 AromaticContact CE1-CD2 3.97Å; F34-F38 HydrophobicContact CE1-CD2 3.97Å; F34-F38 HydrophobicContact CE1-CE2 4.3Å; F34-F38 HydrophobicContact CE1-CG 4.49Å; F34-F38 AromaticContact CE2-CD2 3.65Å; F34-F38 HydrophobicContact CE2-CD2 3.65Å; F34-F38 AromaticContact CE2-CE2 3.22Å; F34-F38 HydrophobicContact CE2-CE2 3.22Å; F34-F38 HydrophobicContact CE2-CZ 4.02Å; F34-F38 HydrophobicContact CG-CD2 4.1Å; F34-F38 HydrophobicContact CG-CE2 4.42Å; F34-F38 AromaticContact CZ-CD2 3.71Å; F34-F38 HydrophobicContact CZ-CD2 3.71Å; F34-F38 AromaticContact CZ-CE2 3.57Å; F34-F38 HydrophobicContact CZ-CE2 3.57Å; F34-F38 HydrophobicContact CZ-CG 4.42Å; F34-F38 HydrophobicContact CZ-CZ 4.15Å; F34-F38 PolarHBondContact O-N 3.49Å; G36-F38 PolarHBondContact O-N 3.41Å; F38-E40 VanDerWaalsContact C-N 3.34Å; F38-E40 PolarHBondContact O-N 3.04Å; F38-H41 PolarHBondContact O-N 3.49Å; F38-L42 VanDerWaalsContact O-CB 3.31Å; F38-L42 WeakPolarHBondContact O-CB 3.16Å; F38-L42 WeakPolarHBondContact O-CD1 3.22Å; F38-L42 WeakPolarHBondContact O-CG 3.04Å; F38-L42 PolarHBondContact O-N 2.86Å; F38-Y55 HydrophobicContact CB-CE2 4.24Å; F38-I59 HydrophobicContact CB-CD1 3.55Å; F38-I59 HydrophobicContact CD1-CD1 3.65Å; F38-I59 HydrophobicContact CD2-CD1 4.34Å; F38-I59 HydrophobicContact CE1-CD1 4.47Å; F38-I59 HydrophobicContact CG-CD1 3.57Å; F38-F62 HydrophobicContact CE1-CB 3.99Å; F38-F62 HydrophobicContact CE1-CD1 4.02Å; F38-F62 HydrophobicContact CE1-CD2 4.47Å; F38-F62 AromaticContact CE1-CG 3.85Å; F38-F62 HydrophobicContact CE1-CG 3.85Å; F38-F62 HydrophobicContact CE2-CD1 4.23Å; F38-F62 HydrophobicContact CE2-CE1 4.27Å; F38-F62 HydrophobicContact CZ-CB 4.3Å; F38-F62 AromaticContact CZ-CD1 3.52Å; F38-F62 HydrophobicContact CZ-CD1 3.52Å; F38-F62 HydrophobicContact CZ-CD2 4.1Å; F38-F62 AromaticContact CZ-CE1 3.84Å; F38-F62 HydrophobicContact CZ-CE1 3.84Å; F38-F62 HydrophobicContact CZ-CE2 4.39Å; F38-F62 AromaticContact CZ-CG 3.64Å; F38-F62 HydrophobicContact CZ-CG 3.64Å; F38-F62 HydrophobicContact CZ-CZ 4.24Å; F38-L185 HydrophobicContact CE2-CD2 4.23Å; F38-F190 HydrophobicContact CE2-CE1 4.24Å; F38-F190 HydrophobicContact CE2-CZ 4.29Å; F38-F190 AromaticContact CZ-CD1 3.98Å; F38-F190 HydrophobicContact CZ-CD1 3.98Å; F38-F190 HydrophobicContact CZ-CD2 4.49Å; F38-F190 AromaticContact CZ-CE1 3.8Å; F38-F190 HydrophobicContact CZ-CE1 3.8Å; F38-F190 HydrophobicContact CZ-CE2 4.34Å; F38-F190 HydrophobicContact CZ-CG 4.33Å; F38-F190 HydrophobicContact CZ-CZ 4.01Å
39	Y	90.4	Very high	90.4	Very high	3 Å²	3	38.9 Å²	38.9	1%	0.012	19%	0.194	C	C	.	.	H	α-helix	trans	-62.8	-40.7	178.8	-162.3	-77.8	0	0	0	112.1	S35 G36 Y37 K43 L44 P45 T46 G50 E51 Y55 H119 L122	S35-Y39 PolarHBondContact O-N 3.22Å; G36-Y39 PolarHBondContact O-N 2.97Å; Y37-Y39 PolarHBondContact O-N 3.25Å; Y39-K43 PolarHBondContact O-N 3.36Å; Y39-L44 HydrophobicContact CD1-CB 4.1Å; Y39-L44 HydrophobicContact CD2-CB 4.49Å; Y39-L44 HydrophobicContact CD2-CD1 3.87Å; Y39-L44 HydrophobicContact CE1-CB 3.57Å; Y39-L44 HydrophobicContact CE2-CB 4.04Å; Y39-L44 HydrophobicContact CE2-CD1 3.76Å; Y39-L44 HydrophobicContact CG-CD1 4.38Å; Y39-L44 PolarHBondContact O-N 2.57Å; Y39-P45 PolarHBondContact OH-O 2.54Å; Y39-T46 HydrophobicContact CE1-CG2 4.04Å; Y39-G50 WeakPolarHBondContact OH-CA 3.16Å; Y39-E51 PolarHBondContact OH-N 3.3Å; Y39-Y55 AromaticContact CD2-CD2 3.66Å; Y39-Y55 HydrophobicContact CD2-CD2 3.66Å; Y39-Y55 HydrophobicContact CD2-CE2 4.3Å; Y39-Y55 AromaticContact CD2-CG 3.92Å; Y39-Y55 HydrophobicContact CD2-CG 3.92Å; Y39-Y55 HydrophobicContact CE2-CG 4.5Å; Y39-Y55 HydrophobicContact CG-CD2 4.35Å; Y39-H119 AromaticContact CE1-CD2 3.96Å; Y39-H119 AromaticContact CE1-NE2 3.63Å; Y39-L122 HydrophobicContact CD2-CD1 4.09Å; Y39-L122 HydrophobicContact CD2-CD2 3.43Å; Y39-L122 VanDerWaalsContact CD2-CD2 3.43Å; Y39-L122 HydrophobicContact CD2-CG 4.42Å; Y39-L122 HydrophobicContact CE2-CD2 3.94Å; Y39-L122 HydrophobicContact CG-CD1 3.93Å; Y39-L122 HydrophobicContact CG-CD2 4.14Å
40	E	88	Confident	90	Very high	139 Å²	139	38.8 Å²	38.8	65%	0.65	19%	0.194	S	C	*	.	H	α-helix	trans	-70.5	-42	175	-69.1	-169.5	176.1	0	0	112.8	G36 Y37 F38 L42 K43	G36-E40 PolarHBondContact O-N 2.9Å; G36-E40 VanDerWaalsContact O-N 3.13Å; Y37-E40 PolarHBondContact O-N 3.32Å; F38-E40 VanDerWaalsContact C-N 3.34Å; F38-E40 PolarHBondContact O-N 3.04Å; E40-L42 PolarHBondContact O-N 3.39Å; E40-K43 WeakPolarHBondContact O-CA 3.23Å; E40-K43 PolarHBondContact O-N 2.91Å
41	H	88.2	Confident	89.9	Confident	84 Å²	84	39.2 Å²	39.2	39%	0.389	20%	0.196	S	C	.	.	H	α-helix	trans	-61.3	-42.9	179.6	-175.2	104	0	0	0	111.8	Y37 F38 K43 F190	Y37-H41 HydrophobicContact CD1-CB 4.39Å; Y37-H41 HydrophobicContact CE1-CB 4Å; Y37-H41 AromaticContact CE1-ND1 3.82Å; Y37-H41 AromaticContact CZ-ND1 3.47Å; Y37-H41 WeakPolarHBondContact O-CB 3.42Å; Y37-H41 PolarHBondContact O-N 3.12Å; Y37-H41 PolarHBondContact OH-ND1 3.43Å; F38-H41 PolarHBondContact O-N 3.49Å; H41-K43 PolarHBondContact O-N 3.14Å; H41-F190 AromaticContact CE1-CE2 3.73Å
42	L	88.2	Confident	89.8	Confident	45 Å²	45	39.6 Å²	39.6	24%	0.236	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-8.3	175	-65.2	168.7	0	0	0	113.2	F38 E40 L44 Q58	F38-L42 VanDerWaalsContact O-CB 3.31Å; F38-L42 WeakPolarHBondContact O-CB 3.16Å; F38-L42 WeakPolarHBondContact O-CD1 3.22Å; F38-L42 WeakPolarHBondContact O-CG 3.04Å; F38-L42 PolarHBondContact O-N 2.86Å; E40-L42 PolarHBondContact O-N 3.39Å; L42-L44 HydrophobicContact CB-CD1 4.2Å; L42-L44 HydrophobicContact CB-CG 3.85Å; L42-L44 HydrophobicContact CD1-CD1 4.22Å; L42-L44 PolarHBondContact O-N 2.99Å; L42-Q58 HydrophobicContact CD1-CB 3.45Å; L42-Q58 VanDerWaalsContact CD1-CB 3.45Å; L42-Q58 HydrophobicContact CD1-CG 3.94Å; L42-Q58 HydrophobicContact CD2-CB 3.86Å; L42-Q58 HydrophobicContact CD2-CG 3.82Å; L42-Q58 HydrophobicContact CG-CB 4.31Å
43	K	89.3	Confident	90	Very high	183 Å²	183	38.2 Å²	38.2	80%	0.796	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.3	32	178.8	-58.5	154.1	-167.1	148.9	0	112.9	Y39 E40 H41	Y39-K43 PolarHBondContact O-N 3.36Å; E40-K43 WeakPolarHBondContact O-CA 3.23Å; E40-K43 PolarHBondContact O-N 2.91Å; H41-K43 PolarHBondContact O-N 3.14Å
44	L	89.7	Confident	90.1	Very high	25 Å²	25	38.2 Å²	38.2	13%	0.131	19%	0.192	C	C	.	.			trans	-64.4	138.7	-176.4	-69.3	174.6	0	0	0	110.6	Y39 L42 T46 E51 Y55	Y39-L44 HydrophobicContact CD1-CB 4.1Å; Y39-L44 HydrophobicContact CD2-CB 4.49Å; Y39-L44 HydrophobicContact CD2-CD1 3.87Å; Y39-L44 HydrophobicContact CE1-CB 3.57Å; Y39-L44 HydrophobicContact CE2-CB 4.04Å; Y39-L44 HydrophobicContact CE2-CD1 3.76Å; Y39-L44 HydrophobicContact CG-CD1 4.38Å; Y39-L44 PolarHBondContact O-N 2.57Å; L42-L44 HydrophobicContact CB-CD1 4.2Å; L42-L44 HydrophobicContact CB-CG 3.85Å; L42-L44 HydrophobicContact CD1-CD1 4.22Å; L42-L44 PolarHBondContact O-N 2.99Å; L44-T46 PolarHBondContact O-N 3.1Å; L44-T46 VanDerWaalsContact O-N 3.09Å; L44-E51 HydrophobicContact CB-CB 4.43Å; L44-E51 HydrophobicContact CD2-CB 4.44Å; L44-Y55 HydrophobicContact CD1-CD2 4.49Å
45	P	86.6	Confident	90.1	Very high	51 Å²	51	38.1 Å²	38.1	33%	0.331	19%	0.192	S	C	.	.			trans	-50.8	117.2	175.6	-30	34.4	0	0	0	112.9	Y39 Y48 E51	Y39-P45 PolarHBondContact OH-O 2.54Å; P45-Y48 HydrophobicContact CB-CD2 3.93Å; P45-Y48 HydrophobicContact CB-CE2 4.32Å; P45-E51 HydrophobicContact CB-CG 4.09Å; P45-E51 HydrophobicContact CG-CG 4.25Å
46	T	82.3	Confident	90.2	Very high	20 Å²	20	37.9 Å²	37.9	12%	0.123	19%	0.19	C	C	.	.			trans	-84.9	-38.4	175.2	60.2	0	0	0	0	111.2	Y39 L44 Y48 G49 M116 H119 I422	Y39-T46 HydrophobicContact CE1-CG2 4.04Å; L44-T46 PolarHBondContact O-N 3.1Å; L44-T46 VanDerWaalsContact O-N 3.09Å; T46-Y48 PolarHBondContact O-N 3.03Å; T46-G49 PolarHBondContact O-N 3.37Å; T46-M116 HydrophobicContact CG2-CE 3.74Å; T46-M116 HydrophobicContact CG2-SD 3.57Å; T46-M116 VanDerWaalsContact CG2-SD 3.57Å; T46-M116 PolarHBondContact OG1-SD 3.44Å; T46-H119 WeakPolarHBondContact CB-NE2 3.4Å; T46-H119 VanDerWaalsContact CG2-NE2 3.27Å; T46-H119 WeakPolarHBondContact CG2-NE2 3.11Å; T46-I422 WeakPolarHBondContact O-CD1 3.47Å
47	K	85.2	Confident	90.6	Very high	101 Å²	101	36.8 Å²	36.8	44%	0.439	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-2.3	-169.7	69.8	176.1	-176.4	133.4	0	117.3	I422 V596	K47-I422 VanDerWaalsContact CA-CD1 3.46Å; K47-I422 WeakPolarHBondContact O-CD1 3.49Å; K47-V596 HydrophobicContact CD-CG2 3.63Å; K47-V596 HydrophobicContact CG-CG2 4.06Å
48	Y	88.9	Confident	90.7	Very high	15 Å²	15	38.2 Å²	38.2	6%	0.059	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	9.4	178.2	-58.6	-76.6	0	0	0	113.4	P45 T46 V596 V601 G646 H647 H650	P45-Y48 HydrophobicContact CB-CD2 3.93Å; P45-Y48 HydrophobicContact CB-CE2 4.32Å; T46-Y48 PolarHBondContact O-N 3.03Å; Y48-V596 HydrophobicContact CD1-CG1 3.68Å; Y48-V596 HydrophobicContact CD1-CG2 4.18Å; Y48-V596 HydrophobicContact CE1-CB 4.22Å; Y48-V596 HydrophobicContact CE1-CG1 3.68Å; Y48-V596 HydrophobicContact CE1-CG2 3.49Å; Y48-V596 VanDerWaalsContact CE1-CG2 3.49Å; Y48-V601 HydrophobicContact CD1-CG2 4.45Å; Y48-G646 WeakPolarHBondContact O-CA 3.49Å; Y48-H647 HydrophobicContact CD1-CB 4.39Å; Y48-H647 AromaticContact CD1-CD2 4Å; Y48-H647 HydrophobicContact CD2-CB 3.58Å; Y48-H647 AromaticContact CD2-CD2 3.79Å; Y48-H647 AromaticContact CD2-CG 3.58Å; Y48-H647 AromaticContact CE1-CD2 3.55Å; Y48-H647 HydrophobicContact CE2-CB 4.02Å; Y48-H647 AromaticContact CE2-CD2 3.32Å; Y48-H647 WeakPolarHBondContact CE2-CD2 3.44Å; Y48-H647 AromaticContact CE2-CE1 3.77Å; Y48-H647 AromaticContact CE2-CG 3.45Å; Y48-H647 VanDerWaalsContact CE2-CG 3.45Å; Y48-H647 AromaticContact CE2-ND1 3.73Å; Y48-H647 AromaticContact CE2-NE2 3.53Å; Y48-H647 HydrophobicContact CG-CB 3.8Å; Y48-H647 AromaticContact CZ-CD2 3.2Å; Y48-H647 AromaticContact CZ-CG 3.86Å; Y48-H647 AromaticContact CZ-NE2 3.34Å; Y48-H647 VanDerWaalsContact CZ-NE2 3.34Å; Y48-H647 PolarHBondContact OH-NE2 3.24Å; Y48-H650 HydrophobicContact CD1-CB 3.78Å; Y48-H650 AromaticContact CD1-CG 3.75Å; Y48-H650 AromaticContact CD1-ND1 3.81Å; Y48-H650 HydrophobicContact CE1-CB 4.26Å; Y48-H650 AromaticContact CE1-CG 3.9Å; Y48-H650 AromaticContact CE1-ND1 3.45Å; Y48-H650 WeakPolarHBondContact CE1-ND1 3.48Å
49	G	86.9	Confident	91	Very high	8 Å²	8	37.9 Å²	37.9	8%	0.082	18%	0.184	C	C	.	.	S	Bend	trans	101.1	-48.9	-178.5	0	0	0	0	0	112.4	T46 Y52 H119	T46-G49 PolarHBondContact O-N 3.37Å; G49-Y52 PolarHBondContact O-OH 2.83Å; G49-H119 PolarHBondContact O-CE1 3.06Å; G49-H119 VanDerWaalsContact O-CE1 3.29Å; G49-H119 PolarHBondContact O-ND1 3.45Å
50	G	89.8	Confident	91.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.191	C	C	.	.			trans	166.9	153.6	167.6	0	0	0	0	0	114.9	Y39 G646	Y39-G50 WeakPolarHBondContact OH-CA 3.16Å; G50-G646 PolarHBondContact O-N 2.96Å
51	E	93.7	Very high	91.5	Very high	9 Å²	9	36.3 Å²	36.3	4%	0.042	18%	0.177	C	C	.	.			trans	-108.4	64.2	179.1	-62.2	-57.1	119.1	0	0	110.2	Y39 L44 P45 L53 S54 Y55 P644 S645 G646 H647	Y39-E51 PolarHBondContact OH-N 3.3Å; L44-E51 HydrophobicContact CB-CB 4.43Å; L44-E51 HydrophobicContact CD2-CB 4.44Å; P45-E51 HydrophobicContact CB-CG 4.09Å; P45-E51 HydrophobicContact CG-CG 4.25Å; E51-L53 PolarHBondContact O-N 2.85Å; E51-S54 WeakPolarHBondContact O-CB 3.31Å; E51-S54 PolarHBondContact O-N 3.08Å; E51-Y55 PolarHBondContact O-N 3.03Å; E51-P644 CarbonylContact C-O 3.57Å; E51-S645 VanDerWaalsContact CD-OG 3.28Å; E51-S645 PolarHBondContact OE1-OG 3.35Å; E51-S645 VanDerWaalsContact OE2-CB 3.27Å; E51-S645 WeakPolarHBondContact OE2-CB 3.47Å; E51-S645 PolarHBondContact OE2-OG 2.83Å; E51-G646 PolarHBondContact OE1-N 2.98Å; E51-H647 WeakPolarHBondContact OE1-CB 3.46Å; E51-H647 PolarHBondContact OE1-N 3Å
52	Y	94.7	Very high	91.8	Very high	7 Å²	7	32.8 Å²	32.8	3%	0.027	16%	0.16	C	C	.	.	H	α-helix	trans	-69.1	-33.4	-165.1	-54.3	-78.1	0	0	0	114.3	G49 Y55 I56 F121 L122 M125 F604 H608 F643 P644	G49-Y52 PolarHBondContact O-OH 2.83Å; Y52-Y55 PolarHBondContact O-N 3.49Å; Y52-I56 WeakPolarHBondContact O-CG1 3.42Å; Y52-I56 WeakPolarHBondContact O-CG2 3.37Å; Y52-I56 PolarHBondContact O-N 3.26Å; Y52-F121 HydrophobicContact CE1-CB 4.35Å; Y52-L122 HydrophobicContact CD1-CD2 4.35Å; Y52-L122 HydrophobicContact CE1-CD2 4.31Å; Y52-M125 HydrophobicContact CD1-CE 3.74Å; Y52-M125 HydrophobicContact CD1-CG 3.9Å; Y52-M125 HydrophobicContact CD2-CE 4.28Å; Y52-M125 HydrophobicContact CE1-CE 4.18Å; Y52-M125 HydrophobicContact CG-CE 3.77Å; Y52-M125 HydrophobicContact CG-CG 4.49Å; Y52-F604 HydrophobicContact CE2-CE1 4.35Å; Y52-F604 HydrophobicContact CE2-CZ 4.44Å; Y52-H608 AromaticContact CE2-CE1 3.62Å; Y52-H608 AromaticContact CE2-ND1 3.79Å; Y52-H608 AromaticContact CZ-CE1 3.73Å; Y52-F643 WeakPolarHBondContact CD2-O 3.33Å; Y52-P644 PolarHBondContact N-O 3.04Å
53	L	96.3	Very high	92.1	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-68.6	-43.3	174.3	-177.1	67.6	0	0	0	111.1	E51 Y55 I56 V57 V562 D566 T569 V570 Y573 W640 P644	E51-L53 PolarHBondContact O-N 2.85Å; L53-Y55 VanDerWaalsContact C-N 3.28Å; L53-Y55 PolarHBondContact O-N 2.6Å; L53-I56 HydrophobicContact CD1-CD1 4.14Å; L53-I56 HydrophobicContact CD1-CG1 4.36Å; L53-I56 PolarHBondContact O-N 3.42Å; L53-V57 WeakPolarHBondContact O-CB 3.45Å; L53-V57 WeakPolarHBondContact O-CG2 3.36Å; L53-V57 PolarHBondContact O-N 2.83Å; L53-V562 HydrophobicContact CD1-CG1 3.79Å; L53-V562 HydrophobicContact CD2-CG1 4.33Å; L53-D566 HydrophobicContact CD1-CB 4.03Å; L53-T569 HydrophobicContact CD2-CG2 3.72Å; L53-V570 HydrophobicContact CD2-CG2 4.04Å; L53-V570 HydrophobicContact CG-CG2 3.76Å; L53-Y573 HydrophobicContact CD2-CD2 4.02Å; L53-Y573 HydrophobicContact CD2-CE2 4.01Å; L53-W640 HydrophobicContact CD1-CE3 3.87Å; L53-W640 HydrophobicContact CD1-CZ3 4Å; L53-P644 HydrophobicContact CB-CB 3.66Å; L53-P644 WeakPolarHBondContact CB-O 3.31Å; L53-P644 HydrophobicContact CD2-CB 4.05Å; L53-P644 HydrophobicContact CG-CB 4.41Å; L53-P644 PolarHBondContact N-O 3.09Å
54	S	95.8	Very high	92.4	Very high	24 Å²	24	25.5 Å²	25.5	17%	0.168	13%	0.13	C	C	.	.	H	α-helix	trans	-60.6	-39.4	174.2	-50	0	0	0	0	111.5	E51 Q58	E51-S54 WeakPolarHBondContact O-CB 3.31Å; E51-S54 PolarHBondContact O-N 3.08Å; S54-Q58 VanDerWaalsContact O-CG 3.22Å; S54-Q58 WeakPolarHBondContact O-CG 3.41Å; S54-Q58 PolarHBondContact O-N 3Å
55	Y	95.4	Very high	92.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.1	-55.7	173.7	171.1	-107	0	0	0	112.2	S35 F38 Y39 L44 E51 Y52 L53 V57 Q58 I59 L122 M125	S35-Y55 WeakPolarHBondContact CA-OH 3.48Å; S35-Y55 WeakPolarHBondContact CB-OH 3.26Å; F38-Y55 HydrophobicContact CB-CE2 4.24Å; Y39-Y55 AromaticContact CD2-CD2 3.66Å; Y39-Y55 HydrophobicContact CD2-CD2 3.66Å; Y39-Y55 HydrophobicContact CD2-CE2 4.3Å; Y39-Y55 AromaticContact CD2-CG 3.92Å; Y39-Y55 HydrophobicContact CD2-CG 3.92Å; Y39-Y55 HydrophobicContact CE2-CG 4.5Å; Y39-Y55 HydrophobicContact CG-CD2 4.35Å; L44-Y55 HydrophobicContact CD1-CD2 4.49Å; E51-Y55 PolarHBondContact O-N 3.03Å; Y52-Y55 PolarHBondContact O-N 3.49Å; L53-Y55 VanDerWaalsContact C-N 3.28Å; L53-Y55 PolarHBondContact O-N 2.6Å; Y55-V57 VanDerWaalsContact C-N 3.33Å; Y55-V57 PolarHBondContact O-N 2.94Å; Y55-Q58 PolarHBondContact O-N 3.2Å; Y55-Q58 VanDerWaalsContact O-N 3.14Å; Y55-I59 HydrophobicContact CD1-CG1 4.49Å; Y55-I59 HydrophobicContact CD2-CD1 4.43Å; Y55-I59 HydrophobicContact CD2-CG1 4.12Å; Y55-I59 HydrophobicContact CE1-CG1 4.19Å; Y55-I59 HydrophobicContact CE2-CD1 3.9Å; Y55-I59 HydrophobicContact CE2-CG1 3.81Å; Y55-I59 HydrophobicContact CG-CG1 4.46Å; Y55-I59 WeakPolarHBondContact O-CG1 3.43Å; Y55-I59 PolarHBondContact O-N 2.93Å; Y55-L122 HydrophobicContact CD1-CD2 4.22Å; Y55-L122 HydrophobicContact CE1-CD2 4.11Å; Y55-L122 HydrophobicContact CG-CD2 4.46Å; Y55-M125 HydrophobicContact CD1-CB 4.37Å; Y55-M125 HydrophobicContact CE1-CB 4.15Å
56	I	95.7	Very high	92.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-65.3	-33.2	-174.7	64.9	102.1	0	0	0	113.1	Y52 L53 I59 K60 M125 V129 W640	Y52-I56 WeakPolarHBondContact O-CG1 3.42Å; Y52-I56 WeakPolarHBondContact O-CG2 3.37Å; Y52-I56 PolarHBondContact O-N 3.26Å; L53-I56 HydrophobicContact CD1-CD1 4.14Å; L53-I56 HydrophobicContact CD1-CG1 4.36Å; L53-I56 PolarHBondContact O-N 3.42Å; I56-I59 PolarHBondContact O-N 3.24Å; I56-K60 WeakPolarHBondContact O-CG 3.3Å; I56-K60 PolarHBondContact O-N 2.97Å; I56-M125 HydrophobicContact CG2-CB 4.06Å; I56-V129 HydrophobicContact CB-CG2 3.61Å; I56-V129 HydrophobicContact CG2-CG2 3.6Å; I56-W640 HydrophobicContact CD1-CD2 3.86Å; I56-W640 HydrophobicContact CD1-CE3 3.82Å; I56-W640 HydrophobicContact CD1-CH2 3.95Å; I56-W640 HydrophobicContact CD1-CZ2 3.97Å; I56-W640 HydrophobicContact CD1-CZ3 3.85Å; I56-W640 HydrophobicContact CG1-CD2 3.89Å; I56-W640 HydrophobicContact CG1-CE3 4.12Å; I56-W640 HydrophobicContact CG1-CG 4.1Å; I56-W640 HydrophobicContact CG2-CG 4.24Å
57	V	96.2	Very high	93.4	Very high	6 Å²	6	30.1 Å²	30.1	4%	0.036	14%	0.143	C	C	.	.	H	α-helix	trans	-60.9	-47.3	172.2	164.5	0	0	0	0	111.5	L53 Y55 I59 K60 Q61 D566 E567 V570	L53-V57 WeakPolarHBondContact O-CB 3.45Å; L53-V57 WeakPolarHBondContact O-CG2 3.36Å; L53-V57 PolarHBondContact O-N 2.83Å; Y55-V57 VanDerWaalsContact C-N 3.33Å; Y55-V57 PolarHBondContact O-N 2.94Å; V57-I59 VanDerWaalsContact C-N 3.34Å; V57-I59 PolarHBondContact O-N 3.31Å; V57-K60 PolarHBondContact O-N 2.97Å; V57-Q61 WeakPolarHBondContact O-CG 3.49Å; V57-Q61 PolarHBondContact O-N 2.97Å; V57-D566 HydrophobicContact CG2-CB 3.69Å; V57-E567 HydrophobicContact CG1-CB 4.47Å; V57-E567 HydrophobicContact CG1-CG 3.81Å; V57-V570 HydrophobicContact CB-CG2 4.26Å; V57-V570 HydrophobicContact CG2-CG2 3.85Å
58	Q	94.2	Very high	93.7	Very high	73 Å²	73	29.1 Å²	29.1	34%	0.341	14%	0.14	S	C	.	.	H	α-helix	trans	-67.4	-34.6	179.2	-67.1	-68.9	-75.2	0	0	112.2	L42 S54 Y55 F62	L42-Q58 HydrophobicContact CD1-CB 3.45Å; L42-Q58 VanDerWaalsContact CD1-CB 3.45Å; L42-Q58 HydrophobicContact CD1-CG 3.94Å; L42-Q58 HydrophobicContact CD2-CB 3.86Å; L42-Q58 HydrophobicContact CD2-CG 3.82Å; L42-Q58 HydrophobicContact CG-CB 4.31Å; S54-Q58 VanDerWaalsContact O-CG 3.22Å; S54-Q58 WeakPolarHBondContact O-CG 3.41Å; S54-Q58 PolarHBondContact O-N 3Å; Y55-Q58 PolarHBondContact O-N 3.2Å; Y55-Q58 VanDerWaalsContact O-N 3.14Å; Q58-F62 PolarHBondContact O-N 3.23Å; Q58-F62 VanDerWaalsContact O-N 3.09Å
59	I	94.9	Very high	93.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.3	-47.9	170.7	-65	-49.5	0	0	0	111	F34 F38 Y55 I56 V57 Q61 F62 L63 L126 V129	F34-I59 HydrophobicContact CE1-CD1 3.79Å; F34-I59 HydrophobicContact CE1-CG2 4.39Å; F34-I59 HydrophobicContact CZ-CD1 4.27Å; F38-I59 HydrophobicContact CB-CD1 3.55Å; F38-I59 HydrophobicContact CD1-CD1 3.65Å; F38-I59 HydrophobicContact CD2-CD1 4.34Å; F38-I59 HydrophobicContact CE1-CD1 4.47Å; F38-I59 HydrophobicContact CG-CD1 3.57Å; Y55-I59 HydrophobicContact CD1-CG1 4.49Å; Y55-I59 HydrophobicContact CD2-CD1 4.43Å; Y55-I59 HydrophobicContact CD2-CG1 4.12Å; Y55-I59 HydrophobicContact CE1-CG1 4.19Å; Y55-I59 HydrophobicContact CE2-CD1 3.9Å; Y55-I59 HydrophobicContact CE2-CG1 3.81Å; Y55-I59 HydrophobicContact CG-CG1 4.46Å; Y55-I59 WeakPolarHBondContact O-CG1 3.43Å; Y55-I59 PolarHBondContact O-N 2.93Å; I56-I59 PolarHBondContact O-N 3.24Å; V57-I59 VanDerWaalsContact C-N 3.34Å; V57-I59 PolarHBondContact O-N 3.31Å; I59-Q61 VanDerWaalsContact C-N 3.34Å; I59-Q61 PolarHBondContact O-N 2.91Å; I59-F62 PolarHBondContact O-N 2.87Å; I59-L63 HydrophobicContact CG2-CD1 3.6Å; I59-L63 HydrophobicContact CG2-CG 4.14Å; I59-L63 WeakPolarHBondContact O-CB 3.26Å; I59-L63 VanDerWaalsContact O-CG 3.28Å; I59-L63 WeakPolarHBondContact O-CG 3.12Å; I59-L63 PolarHBondContact O-N 3.11Å; I59-L126 HydrophobicContact CG2-CD1 3.87Å; I59-V129 HydrophobicContact CG2-CG1 4.15Å
60	K	95.7	Very high	94.2	Very high	36 Å²	36	31.8 Å²	31.8	16%	0.157	15%	0.15	C	C	.	.	H	α-helix	trans	-57.1	-45.4	176.7	-77.2	-177.4	174.4	-169.2	0	112.1	I56 V57 L63 N64 V129 D132 M133 D566	I56-K60 WeakPolarHBondContact O-CG 3.3Å; I56-K60 PolarHBondContact O-N 2.97Å; V57-K60 PolarHBondContact O-N 2.97Å; K60-L63 PolarHBondContact O-N 2.93Å; K60-N64 VanDerWaalsContact O-CG 3.3Å; K60-N64 PolarHBondContact O-N 2.98Å; K60-N64 PolarHBondContact O-ND2 2.99Å; K60-V129 HydrophobicContact CG-CG1 3.8Å; K60-D132 WeakPolarHBondContact CE-OD2 3.21Å; K60-D132 IonicContact NZ-OD2 2.79Å; K60-D132 PolarHBondContact NZ-OD2 2.89Å; K60-M133 HydrophobicContact CB-SD 4.32Å; K60-M133 HydrophobicContact CG-SD 3.94Å; K60-D566 WeakPolarHBondContact CD-OD2 3.32Å; K60-D566 IonicContact NZ-OD2 2.78Å; K60-D566 PolarHBondContact NZ-OD2 3.19Å
61	Q	93.9	Very high	94.5	Very high	74 Å²	74	32 Å²	32	35%	0.346	15%	0.151	S	C	.	.	H	α-helix	trans	-58.5	-50.1	176.6	-73.7	178.1	-9.8	0	0	111.4	V57 I59 L63 N64 E65 E567	V57-Q61 WeakPolarHBondContact O-CG 3.49Å; V57-Q61 PolarHBondContact O-N 2.97Å; I59-Q61 VanDerWaalsContact C-N 3.34Å; I59-Q61 PolarHBondContact O-N 2.91Å; Q61-L63 PolarHBondContact O-N 2.88Å; Q61-N64 WeakPolarHBondContact O-CB 3.32Å; Q61-N64 PolarHBondContact O-N 3.4Å; Q61-E65 PolarHBondContact O-N 3.39Å; Q61-E65 VanDerWaalsContact O-N 3.08Å; Q61-E567 PolarHBondContact NE2-OE1 3.03Å
62	F	93.7	Very high	94.6	Very high	10 Å²	10	37.9 Å²	37.9	4%	0.044	17%	0.174	C	C	.	.	H	α-helix	trans	-63.8	-38.6	177.1	171	-104.5	0	0	0	113.7	F34 F38 Q58 I59 N64 E65 I66 M188 F190 L218	F34-F62 HydrophobicContact CE2-CD1 4.03Å; F34-F62 AromaticContact CE2-CE1 3.62Å; F34-F62 HydrophobicContact CE2-CE1 3.62Å; F34-F62 AromaticContact CZ-CD1 3.8Å; F34-F62 HydrophobicContact CZ-CD1 3.8Å; F34-F62 AromaticContact CZ-CE1 3.85Å; F34-F62 HydrophobicContact CZ-CE1 3.85Å; F38-F62 HydrophobicContact CE1-CB 3.99Å; F38-F62 HydrophobicContact CE1-CD1 4.02Å; F38-F62 HydrophobicContact CE1-CD2 4.47Å; F38-F62 AromaticContact CE1-CG 3.85Å; F38-F62 HydrophobicContact CE1-CG 3.85Å; F38-F62 HydrophobicContact CE2-CD1 4.23Å; F38-F62 HydrophobicContact CE2-CE1 4.27Å; F38-F62 HydrophobicContact CZ-CB 4.3Å; F38-F62 AromaticContact CZ-CD1 3.52Å; F38-F62 HydrophobicContact CZ-CD1 3.52Å; F38-F62 HydrophobicContact CZ-CD2 4.1Å; F38-F62 AromaticContact CZ-CE1 3.84Å; F38-F62 HydrophobicContact CZ-CE1 3.84Å; F38-F62 HydrophobicContact CZ-CE2 4.39Å; F38-F62 AromaticContact CZ-CG 3.64Å; F38-F62 HydrophobicContact CZ-CG 3.64Å; F38-F62 HydrophobicContact CZ-CZ 4.24Å; Q58-F62 PolarHBondContact O-N 3.23Å; Q58-F62 VanDerWaalsContact O-N 3.09Å; I59-F62 PolarHBondContact O-N 2.87Å; F62-N64 VanDerWaalsContact C-N 3.26Å; F62-N64 PolarHBondContact O-N 2.89Å; F62-E65 WeakPolarHBondContact O-CB 3.47Å; F62-E65 PolarHBondContact O-N 3.49Å; F62-E65 VanDerWaalsContact O-N 3.14Å; F62-I66 HydrophobicContact CD1-CD1 4.46Å; F62-I66 HydrophobicContact CE1-CD1 3.45Å; F62-I66 VanDerWaalsContact CE1-CD1 3.45Å; F62-I66 HydrophobicContact CE1-CG1 4.1Å; F62-I66 HydrophobicContact CE2-CD1 4.35Å; F62-I66 HydrophobicContact CE2-CG1 4.2Å; F62-I66 HydrophobicContact CZ-CD1 3.4Å; F62-I66 HydrophobicContact CZ-CG1 3.71Å; F62-I66 PolarHBondContact O-N 2.93Å; F62-M188 HydrophobicContact CE2-CE 3.99Å; F62-M188 HydrophobicContact CZ-CE 3.75Å; F62-M188 HydrophobicContact CZ-SD 4.41Å; F62-F190 HydrophobicContact CD2-CB 3.92Å; F62-F190 AromaticContact CD2-CD1 3.78Å; F62-F190 HydrophobicContact CD2-CD1 3.78Å; F62-F190 HydrophobicContact CD2-CG 4.16Å; F62-F190 HydrophobicContact CE2-CB 4.25Å; F62-F190 AromaticContact CE2-CD1 3.42Å; F62-F190 HydrophobicContact CE2-CD1 3.42Å; F62-F190 VanDerWaalsContact CE2-CD1 3.42Å; F62-F190 HydrophobicContact CE2-CE1 4.19Å; F62-F190 HydrophobicContact CE2-CG 4.22Å; F62-F190 HydrophobicContact CZ-CD1 4.05Å; F62-F190 HydrophobicContact CZ-CE1 4.39Å; F62-L218 HydrophobicContact CE2-CD1 4.33Å
63	L	95.7	Very high	94.7	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-66.8	-29.9	176.4	-68.6	174.2	0	0	0	111.9	I59 K60 Q61 I66 K67 F75 V129 L130 M133 I135	I59-L63 HydrophobicContact CG2-CD1 3.6Å; I59-L63 HydrophobicContact CG2-CG 4.14Å; I59-L63 WeakPolarHBondContact O-CB 3.26Å; I59-L63 VanDerWaalsContact O-CG 3.28Å; I59-L63 WeakPolarHBondContact O-CG 3.12Å; I59-L63 PolarHBondContact O-N 3.11Å; K60-L63 PolarHBondContact O-N 2.93Å; Q61-L63 PolarHBondContact O-N 2.88Å; L63-I66 PolarHBondContact O-N 3.19Å; L63-K67 WeakPolarHBondContact O-CB 3.48Å; L63-K67 PolarHBondContact O-N 3.23Å; L63-F75 HydrophobicContact CD2-CE2 4.17Å; L63-F75 HydrophobicContact CD2-CZ 4.05Å; L63-V129 HydrophobicContact CD1-CG1 4.19Å; L63-L130 HydrophobicContact CD1-CD2 3.87Å; L63-M133 HydrophobicContact CB-CE 3.64Å; L63-M133 HydrophobicContact CB-SD 3.82Å; L63-M133 HydrophobicContact CD1-SD 3.73Å; L63-M133 HydrophobicContact CG-SD 4.44Å; L63-I135 HydrophobicContact CB-CD1 4.23Å; L63-I135 HydrophobicContact CD1-CD1 3.87Å; L63-I135 HydrophobicContact CD2-CD1 4.02Å; L63-I135 HydrophobicContact CG-CD1 4.26Å
64	N	94.4	Very high	94.7	Very high	73 Å²	73	38.6 Å²	38.6	39%	0.39	18%	0.18	S	C	.	.	H	α-helix	trans	-69.8	-34.9	169.8	-72.1	-29.5	0	0	0	112.7	K60 Q61 F62 K67 Q68 M133	K60-N64 VanDerWaalsContact O-CG 3.3Å; K60-N64 PolarHBondContact O-N 2.98Å; K60-N64 PolarHBondContact O-ND2 2.99Å; Q61-N64 WeakPolarHBondContact O-CB 3.32Å; Q61-N64 PolarHBondContact O-N 3.4Å; F62-N64 VanDerWaalsContact C-N 3.26Å; F62-N64 PolarHBondContact O-N 2.89Å; N64-K67 PolarHBondContact O-N 2.9Å; N64-Q68 VanDerWaalsContact O-CG 3.3Å; N64-Q68 WeakPolarHBondContact O-CG 3.31Å; N64-Q68 PolarHBondContact O-N 2.94Å; N64-Q68 PolarHBondContact O-NE2 3.36Å; N64-Q68 VanDerWaalsContact O-NE2 3.08Å; N64-M133 VanDerWaalsContact OD1-CE 3.28Å; N64-M133 WeakPolarHBondContact OD1-CE 3.19Å
65	E	92.9	Very high	94.8	Very high	46 Å²	46	37.5 Å²	37.5	22%	0.215	17%	0.172	C	C	.	.	H	α-helix	trans	-63.4	-44.9	171	-64.1	-65.3	102.9	0	0	111.2	Q61 F62 K67 Q68 C69 C192	Q61-E65 PolarHBondContact O-N 3.39Å; Q61-E65 VanDerWaalsContact O-N 3.08Å; F62-E65 WeakPolarHBondContact O-CB 3.47Å; F62-E65 PolarHBondContact O-N 3.49Å; F62-E65 VanDerWaalsContact O-N 3.14Å; E65-K67 VanDerWaalsContact C-N 3.31Å; E65-K67 PolarHBondContact O-N 2.86Å; E65-Q68 PolarHBondContact O-N 3.4Å; E65-Q68 PolarHBondContact OE1-NE2 3.49Å; E65-C69 WeakPolarHBondContact O-CB 3.32Å; E65-C69 PolarHBondContact O-N 2.95Å; E65-C69 VanDerWaalsContact O-N 3.14Å; E65-C192 HydrophobicContact CB-CB 4.15Å; E65-C192 PolarHBondContact O-SG 3.22Å; E65-C192 VanDerWaalsContact O-SG 3.34Å; E65-C192 VanDerWaalsContact OE2-CB 3.23Å; E65-C192 WeakPolarHBondContact OE2-CB 3.47Å; E65-C192 PolarHBondContact OE2-N 3.08Å
66	I	93.7	Very high	94.9	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.015	17%	0.172	C	C	.	.	H	α-helix	trans	-54.8	-45.6	171.3	-95.1	-177.4	0	0	0	111.5	I29 F62 L63 C69 K70 I71 P73 L218	I29-I66 HydrophobicContact CD1-CD1 4.37Å; F62-I66 HydrophobicContact CD1-CD1 4.46Å; F62-I66 HydrophobicContact CE1-CD1 3.45Å; F62-I66 VanDerWaalsContact CE1-CD1 3.45Å; F62-I66 HydrophobicContact CE1-CG1 4.1Å; F62-I66 HydrophobicContact CE2-CD1 4.35Å; F62-I66 HydrophobicContact CE2-CG1 4.2Å; F62-I66 HydrophobicContact CZ-CD1 3.4Å; F62-I66 HydrophobicContact CZ-CG1 3.71Å; F62-I66 PolarHBondContact O-N 2.93Å; L63-I66 PolarHBondContact O-N 3.19Å; I66-C69 CarbonylContact O-C 3.59Å; I66-C69 PolarHBondContact O-N 2.98Å; I66-K70 PolarHBondContact O-N 3.46Å; I66-I71 HydrophobicContact CB-CB 4.47Å; I66-I71 HydrophobicContact CG1-CB 4.41Å; I66-I71 HydrophobicContact CG1-CD1 4.35Å; I66-I71 HydrophobicContact CG1-CG2 4.34Å; I66-I71 HydrophobicContact CG2-CB 4.04Å; I66-I71 HydrophobicContact CG2-CG2 4.19Å; I66-I71 WeakPolarHBondContact CG2-O 3.5Å; I66-I71 WeakPolarHBondContact O-CB 3.39Å; I66-I71 PolarHBondContact O-N 2.94Å; I66-P73 HydrophobicContact CG2-CG 3.95Å; I66-L218 HydrophobicContact CG1-CD1 3.75Å
67	K	93.3	Very high	94.9	Very high	145 Å²	145	37.5 Å²	37.5	63%	0.63	17%	0.172	S	C	*	.	H	α-helix	trans	-68.1	-40.3	-177.3	-172.5	170.5	-178	169.4	0	112.6	L63 N64 E65 C69 K70	L63-K67 WeakPolarHBondContact O-CB 3.48Å; L63-K67 PolarHBondContact O-N 3.23Å; N64-K67 PolarHBondContact O-N 2.9Å; E65-K67 VanDerWaalsContact C-N 3.31Å; E65-K67 PolarHBondContact O-N 2.86Å; K67-C69 VanDerWaalsContact C-N 3.29Å; K67-C69 PolarHBondContact O-N 3.24Å; K67-K70 PolarHBondContact O-N 2.96Å; K67-K70 VanDerWaalsContact O-N 3.16Å
68	Q	92.2	Very high	94.6	Very high	79 Å²	79	37.3 Å²	37.3	37%	0.369	17%	0.171	S	C	.	.	H	α-helix	trans	-60.1	-40.1	173	-74.8	168.2	74.8	0	0	112	N64 E65 K70	N64-Q68 VanDerWaalsContact O-CG 3.3Å; N64-Q68 WeakPolarHBondContact O-CG 3.31Å; N64-Q68 PolarHBondContact O-N 2.94Å; N64-Q68 PolarHBondContact O-NE2 3.36Å; N64-Q68 VanDerWaalsContact O-NE2 3.08Å; E65-Q68 PolarHBondContact O-N 3.4Å; E65-Q68 PolarHBondContact OE1-NE2 3.49Å; Q68-K70 PolarHBondContact O-N 3.36Å; Q68-K70 VanDerWaalsContact O-N 3.16Å
69	C	93.4	Very high	94.4	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.007	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	12.8	177.9	-79.7	0	0	0	0	113.5	H23 N24 E65 I66 K67 I71 C192 R216 F217 L218	H23-C69 VanDerWaalsContact CA-O 3.23Å; H23-C69 WeakPolarHBondContact CA-O 3.46Å; H23-C69 WeakPolarHBondContact CB-O 3.38Å; N24-C69 PolarHBondContact N-O 3.27Å; E65-C69 WeakPolarHBondContact O-CB 3.32Å; E65-C69 PolarHBondContact O-N 2.95Å; E65-C69 VanDerWaalsContact O-N 3.14Å; I66-C69 CarbonylContact O-C 3.59Å; I66-C69 PolarHBondContact O-N 2.98Å; K67-C69 VanDerWaalsContact C-N 3.29Å; K67-C69 PolarHBondContact O-N 3.24Å; C69-I71 HydrophobicContact CB-CD1 3.9Å; C69-I71 HydrophobicContact CB-CG1 4.23Å; C69-I71 PolarHBondContact O-N 3.15Å; C69-I71 VanDerWaalsContact O-N 3.16Å; C69-C192 VanDerWaalsContact CA-SG 3.59Å; C69-C192 WeakPolarHBondContact CB-SG 3.39Å; C69-C192 PolarHBondContact N-SG 3.16Å; C69-C192 VanDerWaalsContact SG-CA 3.56Å; C69-C192 WeakPolarHBondContact SG-CB 3.37Å; C69-C192 CovalentContact SG-SG 2.05Å; C69-C192 PolarHBondContact SG-SG 3.03Å; C69-R216 WeakPolarHBondContact CA-O 3.16Å; C69-R216 VanDerWaalsContact SG-C 3.52Å; C69-F217 WeakPolarHBondContact SG-CA 3.48Å; C69-F217 PolarHBondContact SG-N 2.86Å; C69-F217 PolarHBondContact SG-O 2.88Å; C69-L218 HydrophobicContact CB-CG 4.22Å
70	K	92.8	Very high	93.9	Very high	78 Å²	78	36 Å²	36	34%	0.339	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	31.4	-174.8	-62.6	-173.8	-179.1	179.8	0	113.7	N24 N25 I66 K67 Q68 Y72 D205	N24-K70 CarbonylContact C-O 3.52Å; N24-K70 WeakPolarHBondContact CA-O 3.1Å; N24-K70 HydrophobicContact CB-CB 4.25Å; N24-K70 PolarHBondContact N-O 3.49Å; N24-K70 VanDerWaalsContact OD1-CD 3.25Å; N24-K70 WeakPolarHBondContact OD1-CD 3.34Å; N25-K70 PolarHBondContact N-O 2.78Å; I66-K70 PolarHBondContact O-N 3.46Å; K67-K70 PolarHBondContact O-N 2.96Å; K67-K70 VanDerWaalsContact O-N 3.16Å; Q68-K70 PolarHBondContact O-N 3.36Å; Q68-K70 VanDerWaalsContact O-N 3.16Å; K70-Y72 WeakPolarHBondContact O-CD2 3.35Å; K70-Y72 WeakPolarHBondContact O-CE2 3.49Å; K70-D205 IonicContact NZ-OD2 3.44Å; K70-D205 PolarHBondContact NZ-OD2 3.38Å
71	I	95.5	Very high	93.5	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.021	16%	0.164	C	C	.	.			trans	-88	134.7	178.1	-64.4	162.2	0	0	0	109.5	L22 N25 V27 I66 C69 P73 L218	L22-I71 HydrophobicContact CB-CD1 4.41Å; L22-I71 HydrophobicContact CD2-CD1 3.9Å; L22-I71 HydrophobicContact CD2-CG1 4.49Å; L22-I71 HydrophobicContact CG-CD1 3.77Å; L22-I71 HydrophobicContact CG-CG1 4.12Å; N25-I71 WeakPolarHBondContact O-CA 3.43Å; V27-I71 HydrophobicContact CG1-CG2 3.98Å; V27-I71 HydrophobicContact CG2-CG2 3.79Å; I66-I71 HydrophobicContact CB-CB 4.47Å; I66-I71 HydrophobicContact CG1-CB 4.41Å; I66-I71 HydrophobicContact CG1-CD1 4.35Å; I66-I71 HydrophobicContact CG1-CG2 4.34Å; I66-I71 HydrophobicContact CG2-CB 4.04Å; I66-I71 HydrophobicContact CG2-CG2 4.19Å; I66-I71 WeakPolarHBondContact CG2-O 3.5Å; I66-I71 WeakPolarHBondContact O-CB 3.39Å; I66-I71 PolarHBondContact O-N 2.94Å; C69-I71 HydrophobicContact CB-CD1 3.9Å; C69-I71 HydrophobicContact CB-CG1 4.23Å; C69-I71 PolarHBondContact O-N 3.15Å; C69-I71 VanDerWaalsContact O-N 3.16Å; I71-P73 WeakPolarHBondContact O-CD 3.45Å; I71-L218 HydrophobicContact CD1-CB 4.33Å; I71-L218 HydrophobicContact CD1-CD1 3.52Å; I71-L218 HydrophobicContact CD1-CG 3.93Å
72	Y	95.4	Very high	92.7	Very high	134 Å²	134	33.8 Å²	33.8	53%	0.525	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	85.8	-176.2	-52.2	-78.8	0	0	0	111.4	N25 P26 V27 K70	N25-Y72 PolarHBondContact O-N 3.1Å; P26-Y72 VanDerWaalsContact CA-O 3.31Å; P26-Y72 WeakPolarHBondContact CA-O 3.42Å; V27-Y72 PolarHBondContact N-O 3.27Å; K70-Y72 WeakPolarHBondContact O-CD2 3.35Å; K70-Y72 WeakPolarHBondContact O-CE2 3.49Å
73	P	96.7	Very high	92.2	Very high	13 Å²	13	35.5 Å²	35.5	8%	0.084	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	141.4	-177.6	31.6	-37.1	0	0	0	112.7	V27 I29 I66 I71 F75 I135	V27-P73 HydrophobicContact CG2-CB 4.03Å; V27-P73 CarbonylContact O-C 3.57Å; V27-P73 WeakPolarHBondContact O-CA 3.36Å; I29-P73 HydrophobicContact CD1-CB 3.61Å; I29-P73 HydrophobicContact CG1-CB 4.09Å; I66-P73 HydrophobicContact CG2-CG 3.95Å; I71-P73 WeakPolarHBondContact O-CD 3.45Å; P73-F75 HydrophobicContact CB-CD2 4.21Å; P73-F75 HydrophobicContact CB-CE2 3.77Å; P73-F75 HydrophobicContact CG-CE2 4.11Å; P73-I135 HydrophobicContact CG-CG2 3.9Å
74	S	97.3	Very high	91.6	Very high	11 Å²	11	35.8 Å²	35.8	8%	0.077	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	114.7	165.5	-70.2	0	0	0	0	109.3	V27 I28 I29 K136	V27-S74 PolarHBondContact O-N 3.11Å; I28-S74 WeakPolarHBondContact CA-O 3.19Å; I29-S74 PolarHBondContact N-O 3.28Å; S74-K136 WeakPolarHBondContact CA-O 3.34Å
75	F	98	Very high	90.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	127.8	-174.7	-77.3	-100.5	0	0	0	111.9	I29 F34 L63 P73 F77 L126 L130 I135 K136 F137 L138	I29-F75 HydrophobicContact CB-CD1 3.87Å; I29-F75 HydrophobicContact CB-CE1 3.89Å; I29-F75 HydrophobicContact CB-CG 4.22Å; I29-F75 HydrophobicContact CB-CZ 4.26Å; I29-F75 HydrophobicContact CD1-CE1 4.24Å; I29-F75 HydrophobicContact CD1-CE2 4.07Å; I29-F75 HydrophobicContact CD1-CZ 3.78Å; I29-F75 HydrophobicContact CG1-CZ 4.47Å; I29-F75 HydrophobicContact CG2-CD1 3.86Å; I29-F75 HydrophobicContact CG2-CE1 3.56Å; I29-F75 HydrophobicContact CG2-CZ 4.16Å; I29-F75 WeakPolarHBondContact O-CA 3.14Å; F34-F75 HydrophobicContact CB-CE1 4.27Å; F34-F75 AromaticContact CD1-CE1 3.71Å; F34-F75 HydrophobicContact CD1-CE1 3.71Å; F34-F75 HydrophobicContact CD1-CZ 4.39Å; F34-F75 AromaticContact CD2-CE1 4Å; F34-F75 HydrophobicContact CD2-CE1 4Å; F34-F75 HydrophobicContact CD2-CZ 4.43Å; F34-F75 AromaticContact CE1-CE1 3.92Å; F34-F75 HydrophobicContact CE1-CE1 3.92Å; F34-F75 HydrophobicContact CE1-CZ 4.16Å; F34-F75 HydrophobicContact CE2-CE1 4.21Å; F34-F75 HydrophobicContact CE2-CZ 4.21Å; F34-F75 AromaticContact CG-CE1 3.74Å; F34-F75 HydrophobicContact CG-CE1 3.74Å; F34-F75 HydrophobicContact CZ-CE1 4.17Å; F34-F75 HydrophobicContact CZ-CZ 4.07Å; L63-F75 HydrophobicContact CD2-CE2 4.17Å; L63-F75 HydrophobicContact CD2-CZ 4.05Å; P73-F75 HydrophobicContact CB-CD2 4.21Å; P73-F75 HydrophobicContact CB-CE2 3.77Å; P73-F75 HydrophobicContact CG-CE2 4.11Å; F75-F77 HydrophobicContact CB-CE2 4.26Å; F75-L126 HydrophobicContact CD1-CD2 4.34Å; F75-L126 HydrophobicContact CE1-CD2 4.32Å; F75-L130 HydrophobicContact CB-CD1 3.74Å; F75-L130 HydrophobicContact CD1-CD1 3.97Å; F75-L130 HydrophobicContact CD2-CD1 3.68Å; F75-L130 HydrophobicContact CD2-CD2 3.64Å; F75-L130 HydrophobicContact CD2-CG 4.33Å; F75-L130 HydrophobicContact CE1-CD1 4.49Å; F75-L130 HydrophobicContact CE2-CD1 4.24Å; F75-L130 HydrophobicContact CE2-CD2 3.46Å; F75-L130 VanDerWaalsContact CE2-CD2 3.46Å; F75-L130 HydrophobicContact CG-CD1 3.52Å; F75-L130 HydrophobicContact CG-CD2 4.29Å; F75-L130 HydrophobicContact CZ-CD2 3.96Å; F75-I135 HydrophobicContact CD2-CG2 3.81Å; F75-I135 HydrophobicContact CE2-CG2 3.98Å; F75-K136 PolarHBondContact N-O 2.86Å; F75-F137 HydrophobicContact CB-CB 3.79Å; F75-F137 CarbonylContact O-C 3.56Å; F75-F137 WeakPolarHBondContact O-CA 3.46Å; F75-L138 PolarHBondContact O-N 2.98Å
76	L	97.2	Very high	90.6	Very high	1 Å²	1	33 Å²	33	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	135.2	173	-79.6	178.1	0	0	0	111.8	I28 I29 G31 L138 L151	I28-L76 HydrophobicContact CG2-CD1 4.01Å; I28-L76 HydrophobicContact CG2-CG 4.48Å; I29-L76 PolarHBondContact O-N 3.45Å; G31-L76 PolarHBondContact N-O 2.95Å; L76-L138 HydrophobicContact CD2-CB 3.91Å; L76-L138 HydrophobicContact CD2-CD2 4.11Å; L76-L138 HydrophobicContact CD2-CG 4.11Å; L76-L151 HydrophobicContact CD1-CB 3.92Å; L76-L151 HydrophobicContact CD1-CD2 3.61Å; L76-L151 HydrophobicContact CD1-CG 4.4Å; L76-L151 HydrophobicContact CD2-CD2 4.32Å; L76-L151 HydrophobicContact CG-CD2 4.12Å
77	F	95.5	Very high	90.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	147.1	168.6	-55.1	-96.7	0	0	0	108.4	G31 E32 F75 Q123 L126 T127 F137 L138 K139 S140 H400	G31-F77 VanDerWaalsContact C-CE1 3.47Å; E32-F77 HydrophobicContact CG-CB 4.46Å; E32-F77 HydrophobicContact CG-CD1 3.93Å; F75-F77 HydrophobicContact CB-CE2 4.26Å; F77-Q123 HydrophobicContact CD1-CB 4.28Å; F77-Q123 HydrophobicContact CD1-CG 4.22Å; F77-Q123 HydrophobicContact CE1-CB 4.02Å; F77-Q123 HydrophobicContact CE1-CG 4.16Å; F77-L126 HydrophobicContact CE1-CD2 4.18Å; F77-L126 HydrophobicContact CZ-CD2 3.92Å; F77-L126 HydrophobicContact CZ-CG 4.35Å; F77-T127 HydrophobicContact CD2-CG2 4.36Å; F77-T127 HydrophobicContact CE1-CG2 4.42Å; F77-T127 HydrophobicContact CE2-CG2 3.51Å; F77-T127 HydrophobicContact CZ-CG2 3.55Å; F77-F137 HydrophobicContact CE2-CB 4.33Å; F77-F137 HydrophobicContact CE2-CD2 4.29Å; F77-L138 PolarHBondContact N-O 3.31Å; F77-K139 HydrophobicContact CB-CB 4.25Å; F77-K139 HydrophobicContact CB-CG 4.01Å; F77-S140 WeakPolarHBondContact O-CB 3.21Å; F77-S140 PolarHBondContact O-N 3.47Å; F77-H400 AromaticContact CD1-CE1 3.85Å; F77-H400 AromaticContact CD2-ND1 3.9Å; F77-H400 AromaticContact CG-CE1 3.93Å; F77-H400 AromaticContact CG-ND1 3.76Å
78	G	91	Very high	90.2	Very high	1 Å²	1	28 Å²	28	1%	0.01	14%	0.141	C	C	.	.			trans	-84.9	-176.2	176.6	0	0	0	0	0	113.1	E32 K139 S140	E32-G78 WeakPolarHBondContact OE1-CA 3.45Å; E32-G78 PolarHBondContact OE1-N 3.16Å; G78-K139 WeakPolarHBondContact O-CE 3.44Å; G78-K139 WeakPolarHBondContact O-CG 3.44Å; G78-S140 CarbonylContact C-O 3.56Å
79	S	88.8	Confident	90.1	Very high	15 Å²	15	24.6 Å²	24.6	11%	0.105	13%	0.126	C	C	.	.			trans	-91.7	134.3	166.9	-179	0	0	0	0	112.3	C81 S140 P141 Y142 F385	S79-C81 PolarHBondContact O-N 2.85Å; S79-C81 VanDerWaalsContact O-N 3.17Å; S79-C81 WeakPolarHBondContact OG-CB 3.17Å; S79-C81 PolarHBondContact OG-N 3.25Å; S79-S140 PolarHBondContact N-O 2.98Å; S79-P141 WeakPolarHBondContact CB-O 3.33Å; S79-Y142 PolarHBondContact N-O 3.15Å; S79-Y142 VanDerWaalsContact N-O 3.1Å; S79-F385 WeakPolarHBondContact OG-CE1 3.48Å; S79-F385 WeakPolarHBondContact OG-CZ 3.34Å
80	D	85	Confident	89.9	Confident	32 Å²	32	26 Å²	26	17%	0.171	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	0.6	169.2	-50.5	-74.7	0	0	0	113.1	K139 F405 T408	D80-K139 IonicContact OD2-NZ 2.71Å; D80-K139 PolarHBondContact OD2-NZ 2.91Å; D80-F405 HydrophobicContact CB-CD1 4.07Å; D80-F405 HydrophobicContact CB-CE1 4.38Å; D80-F405 WeakPolarHBondContact OD1-CE1 3.33Å; D80-T408 WeakPolarHBondContact CB-OG1 3.34Å; D80-T408 WeakPolarHBondContact O-CB 3.29Å; D80-T408 WeakPolarHBondContact O-CG2 3.23Å; D80-T408 PolarHBondContact O-OG1 3.23Å
81	C	86.5	Confident	89.8	Confident	12 Å²	12	25.9 Å²	25.9	8%	0.081	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-4.8	-172.6	-52.9	0	0	0	0	114.5	S79 F385 L407 C412	S79-C81 PolarHBondContact O-N 2.85Å; S79-C81 VanDerWaalsContact O-N 3.17Å; S79-C81 WeakPolarHBondContact OG-CB 3.17Å; S79-C81 PolarHBondContact OG-N 3.25Å; C81-F385 HydrophobicContact CB-CD1 4.25Å; C81-F385 HydrophobicContact CB-CE1 3.99Å; C81-L407 WeakPolarHBondContact SG-CB 3.22Å; C81-C412 WeakPolarHBondContact O-CB 3.42Å; C81-C412 PolarHBondContact O-SG 3.26Å
82	E	77.5	Confident	89.7	Confident	50 Å²	50	25.8 Å²	25.8	23%	0.234	14%	0.136	C	C	.	.			trans	-75.4	139.1	173.3	-174.2	-172.7	-144.8	0	0	111.3	P143	E82-P143 HydrophobicContact CG-CG 4.22Å; E82-P143 WeakPolarHBondContact OE1-CG 3.24Å; E82-P143 VanDerWaalsContact OE2-CB 3.3Å; E82-P143 WeakPolarHBondContact OE2-CB 3.49Å
83	R	84.4	Confident	89.5	Confident	47 Å²	47	22.9 Å²	22.9	18%	0.177	13%	0.128	C	C	.	.			trans	-150.5	128.8	160.7	-178.5	178.3	-77.1	136.3	0.1	111.2	Q87 C412 Q413 G415	R83-Q87 HydrophobicContact CG-CB 3.96Å; R83-C412 WeakPolarHBondContact CB-SG 3.44Å; R83-Q413 PolarHBondContact NH1-O 3.42Å; R83-G415 VanDerWaalsContact CZ-O 3.3Å; R83-G415 PolarHBondContact NH1-O 2.83Å; R83-G415 PolarHBondContact NH2-O 2.91Å
84	V	81.5	Confident	89.1	Confident	6 Å²	6	24.2 Å²	24.2	4%	0.036	14%	0.14	C	C	.	.			trans	-129.1	144.1	177.2	-71.9	0	0	0	0	111.8	M1 F86 Q87 E312	M1-V84 HydrophobicContact CE-CG2 3.47Å; M1-V84 VanDerWaalsContact CE-CG2 3.47Å; V84-F86 PolarHBondContact O-N 3.08Å; V84-Q87 WeakPolarHBondContact O-CG 3.34Å; V84-Q87 PolarHBondContact O-N 3.07Å; V84-Q87 PolarHBondContact O-OE1 3.34Å; V84-E312 HydrophobicContact CG1-CB 4.18Å
85	G	80.9	Confident	88.8	Confident	41 Å²	41	24 Å²	24	42%	0.423	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	-124.7	177.1	0	0	0	0	0	113.6	S246	G85-S246 WeakPolarHBondContact CA-O 3.31Å
86	F	85.2	Confident	88.5	Confident	21 Å²	21	27.1 Å²	27.1	9%	0.092	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	7.2	-172.5	-70.2	-90	0	0	0	115.3	V84 L88 S89 S90 D245 S246 P248 M309 I729 L731	V84-F86 PolarHBondContact O-N 3.08Å; F86-L88 VanDerWaalsContact C-N 3.31Å; F86-L88 PolarHBondContact O-N 2.78Å; F86-L88 VanDerWaalsContact O-N 3.1Å; F86-S89 WeakPolarHBondContact O-CA 3.47Å; F86-S89 WeakPolarHBondContact O-CB 3.34Å; F86-S89 PolarHBondContact O-N 2.76Å; F86-S90 PolarHBondContact O-N 3.35Å; F86-D245 CarbonylContact C-O 3.53Å; F86-S246 PolarHBondContact N-O 2.94Å; F86-P248 VanDerWaalsContact CD2-CD 3.49Å; F86-P248 HydrophobicContact CD2-CG 4.04Å; F86-P248 HydrophobicContact CE2-CG 3.82Å; F86-M309 HydrophobicContact CD2-SD 4.15Å; F86-M309 HydrophobicContact CE2-CE 4.26Å; F86-M309 HydrophobicContact CE2-SD 3.53Å; F86-M309 VanDerWaalsContact CE2-SD 3.53Å; F86-M309 HydrophobicContact CZ-SD 4.41Å; F86-I729 HydrophobicContact CD1-CB 4.25Å; F86-I729 HydrophobicContact CD1-CD1 4.49Å; F86-I729 HydrophobicContact CD1-CG1 3.92Å; F86-I729 HydrophobicContact CD1-CG2 3.85Å; F86-I729 HydrophobicContact CE1-CB 4.21Å; F86-I729 HydrophobicContact CE1-CG1 4.33Å; F86-I729 HydrophobicContact CE1-CG2 3.78Å; F86-I729 HydrophobicContact CG-CG2 4.32Å; F86-I729 HydrophobicContact CZ-CG2 4.18Å; F86-L731 HydrophobicContact CE2-CD1 3.77Å; F86-L731 HydrophobicContact CZ-CD1 3.79Å; F86-L731 HydrophobicContact CZ-CG 4.39Å
87	Q	87.5	Confident	88.1	Confident	14 Å²	14	30.3 Å²	30.3	7%	0.065	18%	0.175	C	C	.	.	H	α-helix	trans	-54.2	-37.5	-170.7	-83.5	174.6	-25.9	0	0	114.7	R83 V84 S90 Q91 D245	R83-Q87 HydrophobicContact CG-CB 3.96Å; V84-Q87 WeakPolarHBondContact O-CG 3.34Å; V84-Q87 PolarHBondContact O-N 3.07Å; V84-Q87 PolarHBondContact O-OE1 3.34Å; Q87-S90 PolarHBondContact O-N 3.24Å; Q87-Q91 WeakPolarHBondContact O-CB 3.41Å; Q87-Q91 WeakPolarHBondContact O-CG 3.47Å; Q87-Q91 PolarHBondContact O-N 3.17Å; Q87-D245 WeakPolarHBondContact CA-O 3.44Å; Q87-D245 HydrophobicContact CG-CB 3.95Å; Q87-D245 PolarHBondContact N-O 3.14Å
88	L	91	Very high	87.7	Confident	27 Å²	27	35.2 Å²	35.2	14%	0.141	19%	0.193	C	C	.	.	H	α-helix	trans	-61.5	-47.2	172.4	178.4	59.3	0	0	0	111.5	F86 S90 Q91 L92 V417 Y469	F86-L88 VanDerWaalsContact C-N 3.31Å; F86-L88 PolarHBondContact O-N 2.78Å; F86-L88 VanDerWaalsContact O-N 3.1Å; L88-S90 VanDerWaalsContact C-N 3.3Å; L88-S90 PolarHBondContact O-N 3.47Å; L88-Q91 PolarHBondContact O-N 2.79Å; L88-L92 HydrophobicContact CD1-CD1 3.94Å; L88-L92 HydrophobicContact CD1-CD2 4.25Å; L88-L92 HydrophobicContact CD1-CG 3.87Å; L88-L92 HydrophobicContact CG-CD1 3.92Å; L88-L92 HydrophobicContact CG-CG 4.25Å; L88-L92 WeakPolarHBondContact O-CB 3.34Å; L88-L92 VanDerWaalsContact O-CG 3.26Å; L88-L92 WeakPolarHBondContact O-CG 3.5Å; L88-L92 PolarHBondContact O-N 3.28Å; L88-V417 HydrophobicContact CD1-CG2 3.63Å; L88-Y469 HydrophobicContact CD1-CD2 4.35Å; L88-Y469 HydrophobicContact CD1-CE2 3.84Å
89	S	91.3	Very high	87.6	Confident	8 Å²	8	35.3 Å²	35.3	6%	0.056	19%	0.194	C	C	.	.	H	α-helix	trans	-61.5	-41.7	-179.8	-55.3	0	0	0	0	110.7	F86 L92 Q93	F86-S89 WeakPolarHBondContact O-CA 3.47Å; F86-S89 WeakPolarHBondContact O-CB 3.34Å; F86-S89 PolarHBondContact O-N 2.76Å; S89-L92 PolarHBondContact O-N 2.87Å; S89-Q93 WeakPolarHBondContact O-CB 3.2Å; S89-Q93 WeakPolarHBondContact O-CG 3.43Å; S89-Q93 PolarHBondContact O-N 3.14Å
90	S	89	Confident	87.5	Confident	32 Å²	32	40 Å²	40	22%	0.224	21%	0.212	C	C	.	.	H	α-helix	trans	-65.8	-41.5	174.7	-57.4	0	0	0	0	113.1	F86 Q87 L88 A94 D245	F86-S90 PolarHBondContact O-N 3.35Å; Q87-S90 PolarHBondContact O-N 3.24Å; L88-S90 VanDerWaalsContact C-N 3.3Å; L88-S90 PolarHBondContact O-N 3.47Å; S90-A94 VanDerWaalsContact O-CB 3.24Å; S90-A94 WeakPolarHBondContact O-CB 3.22Å; S90-A94 PolarHBondContact O-N 3.13Å; S90-D245 PolarHBondContact OG-O 3.49Å
91	Q	90.2	Very high	87.4	Confident	75 Å²	75	41.5 Å²	41.5	35%	0.35	22%	0.22	S	C	.	.	H	α-helix	trans	-60.8	-46.8	174.7	-75.3	165.8	-7.4	0	0	111.1	Q87 L88 A94 M95 V417	Q87-Q91 WeakPolarHBondContact O-CB 3.41Å; Q87-Q91 WeakPolarHBondContact O-CG 3.47Å; Q87-Q91 PolarHBondContact O-N 3.17Å; L88-Q91 PolarHBondContact O-N 2.79Å; Q91-A94 PolarHBondContact O-N 3.1Å; Q91-M95 WeakPolarHBondContact O-CB 3.4Å; Q91-M95 PolarHBondContact O-N 3.19Å; Q91-V417 HydrophobicContact CB-CB 4.23Å; Q91-V417 HydrophobicContact CB-CG1 4.39Å; Q91-V417 HydrophobicContact CB-CG2 3.89Å
92	L	94.4	Very high	86.9	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-66.2	-44.6	178.4	-64.2	177.7	0	0	0	112.2	L88 S89 A94 M95 E96 V417 Y469 L476 T724 I726	L88-L92 HydrophobicContact CD1-CD1 3.94Å; L88-L92 HydrophobicContact CD1-CD2 4.25Å; L88-L92 HydrophobicContact CD1-CG 3.87Å; L88-L92 HydrophobicContact CG-CD1 3.92Å; L88-L92 HydrophobicContact CG-CG 4.25Å; L88-L92 WeakPolarHBondContact O-CB 3.34Å; L88-L92 VanDerWaalsContact O-CG 3.26Å; L88-L92 WeakPolarHBondContact O-CG 3.5Å; L88-L92 PolarHBondContact O-N 3.28Å; S89-L92 PolarHBondContact O-N 2.87Å; L92-A94 PolarHBondContact O-N 3.38Å; L92-M95 PolarHBondContact O-N 3.14Å; L92-E96 WeakPolarHBondContact O-CB 3.2Å; L92-E96 PolarHBondContact O-N 3.19Å; L92-V417 HydrophobicContact CD2-CG1 4.33Å; L92-V417 HydrophobicContact CD2-CG2 3.61Å; L92-V417 HydrophobicContact CG-CG2 4.23Å; L92-Y469 HydrophobicContact CD1-CE1 4.35Å; L92-Y469 HydrophobicContact CD2-CD1 3.74Å; L92-Y469 HydrophobicContact CD2-CD2 4Å; L92-Y469 HydrophobicContact CD2-CE1 4.27Å; L92-Y469 HydrophobicContact CD2-CG 3.59Å; L92-L476 HydrophobicContact CB-CD2 4.35Å; L92-L476 HydrophobicContact CD2-CD2 4.01Å; L92-T724 HydrophobicContact CD1-CG2 4.02Å; L92-T724 HydrophobicContact CD2-CG2 4.01Å; L92-I726 HydrophobicContact CB-CD1 4.28Å; L92-I726 HydrophobicContact CB-CG1 4.08Å
93	Q	91.6	Very high	86.8	Confident	73 Å²	73	44.8 Å²	44.8	34%	0.341	24%	0.244	S	C	.	.	H	α-helix	trans	-62.5	-41.9	176.5	-73.3	170.6	7.1	0	0	112.1	S89 S97 I726	S89-Q93 WeakPolarHBondContact O-CB 3.2Å; S89-Q93 WeakPolarHBondContact O-CG 3.43Å; S89-Q93 PolarHBondContact O-N 3.14Å; Q93-S97 VanDerWaalsContact O-CB 3.23Å; Q93-S97 WeakPolarHBondContact O-CB 3.45Å; Q93-S97 PolarHBondContact O-N 2.9Å; Q93-S97 PolarHBondContact O-OG 3.45Å; Q93-I726 HydrophobicContact CG-CD1 4.1Å; Q93-I726 HydrophobicContact CG-CG2 3.71Å
94	A	88.4	Confident	86.1	Confident	41 Å²	41	45.5 Å²	45.5	34%	0.339	26%	0.256	S	S	.	.	H	α-helix	trans	-66	-40	176.1	0	0	0	0	0	111.8	S90 Q91 L92 R98	S90-A94 VanDerWaalsContact O-CB 3.24Å; S90-A94 WeakPolarHBondContact O-CB 3.22Å; S90-A94 PolarHBondContact O-N 3.13Å; Q91-A94 PolarHBondContact O-N 3.1Å; L92-A94 PolarHBondContact O-N 3.38Å; A94-R98 WeakPolarHBondContact O-CD 3.38Å; A94-R98 WeakPolarHBondContact O-CG 3.45Å; A94-R98 PolarHBondContact O-N 3.05Å; A94-R98 VanDerWaalsContact O-N 3.09Å
95	M	90.6	Very high	84.9	Confident	8 Å²	8	47.9 Å²	47.9	4%	0.039	27%	0.272	C	S	.	.	H	α-helix	trans	-63.5	-53.2	175.6	-177.3	60.5	73.4	0	0	111.6	Q91 L92 S97 R98 I99 V417 L418 L420 L476	Q91-M95 WeakPolarHBondContact O-CB 3.4Å; Q91-M95 PolarHBondContact O-N 3.19Å; L92-M95 PolarHBondContact O-N 3.14Å; M95-S97 VanDerWaalsContact C-N 3.3Å; M95-S97 PolarHBondContact O-N 2.9Å; M95-R98 PolarHBondContact O-N 3.37Å; M95-R98 VanDerWaalsContact O-N 3.09Å; M95-I99 HydrophobicContact CG-CD1 3.9Å; M95-I99 WeakPolarHBondContact O-CG1 3.43Å; M95-I99 PolarHBondContact O-N 3Å; M95-I99 HydrophobicContact SD-CD1 4.19Å; M95-I99 HydrophobicContact SD-CG1 4.45Å; M95-V417 HydrophobicContact CB-CG1 4.3Å; M95-V417 HydrophobicContact CE-CG1 3.94Å; M95-V417 HydrophobicContact CG-CG1 4.49Å; M95-L418 WeakPolarHBondContact CE-O 3.47Å; M95-L420 HydrophobicContact CE-CB 4.17Å; M95-L420 HydrophobicContact SD-CB 3.83Å; M95-L420 HydrophobicContact SD-CD1 4.29Å; M95-L420 HydrophobicContact SD-CG 4.46Å; M95-L476 HydrophobicContact CB-CD2 4.07Å; M95-L476 HydrophobicContact CG-CD1 3.6Å; M95-L476 HydrophobicContact CG-CD2 3.99Å; M95-L476 HydrophobicContact CG-CG 4.39Å
96	E	91.2	Very high	83.5	Confident	65 Å²	65	50.3 Å²	50.3	30%	0.304	28%	0.283	S	S	.	.	H	α-helix	trans	-60.4	-40	-179.5	-161.6	-141.9	-161.4	0	0	111.5	L92 R98 I99 K100 L476 I726	L92-E96 WeakPolarHBondContact O-CB 3.2Å; L92-E96 PolarHBondContact O-N 3.19Å; E96-R98 PolarHBondContact O-N 3.4Å; E96-I99 PolarHBondContact O-N 2.85Å; E96-K100 HydrophobicContact CG-CD 4.44Å; E96-K100 WeakPolarHBondContact O-CB 3.36Å; E96-K100 WeakPolarHBondContact O-CG 3.37Å; E96-K100 PolarHBondContact O-N 3.31Å; E96-K100 WeakPolarHBondContact OE1-CE 3.23Å; E96-K100 IonicContact OE1-NZ 3.04Å; E96-K100 PolarHBondContact OE1-NZ 3.06Å; E96-K100 WeakPolarHBondContact OE2-CE 3.39Å; E96-K100 IonicContact OE2-NZ 3.69Å; E96-K100 PolarHBondContact OE2-NZ 3.05Å; E96-L476 HydrophobicContact CB-CD2 4.16Å; E96-I726 HydrophobicContact CB-CD1 4.18Å
97	S	89	Confident	81.3	Confident	68 Å²	68	56.5 Å²	56.5	48%	0.476	32%	0.317	S	S	.	.	H	α-helix	trans	-62.6	-39.5	174.2	-61.3	0	0	0	0	112.9	Q93 M95 L101	Q93-S97 VanDerWaalsContact O-CB 3.23Å; Q93-S97 WeakPolarHBondContact O-CB 3.45Å; Q93-S97 PolarHBondContact O-N 2.9Å; Q93-S97 PolarHBondContact O-OG 3.45Å; M95-S97 VanDerWaalsContact C-N 3.3Å; M95-S97 PolarHBondContact O-N 2.9Å; S97-L101 WeakPolarHBondContact O-CB 3.45Å; S97-L101 PolarHBondContact O-N 3.07Å
98	R	87.3	Confident	78.9	Confident	102 Å²	102	59.3 Å²	59.3	39%	0.385	34%	0.335	S	S	.	.	H	α-helix	trans	-68.5	-39.6	176	-71.6	165.3	179.8	177	-1.7	111.9	A94 M95 E96 L101 L102 P115 L420	A94-R98 WeakPolarHBondContact O-CD 3.38Å; A94-R98 WeakPolarHBondContact O-CG 3.45Å; A94-R98 PolarHBondContact O-N 3.05Å; A94-R98 VanDerWaalsContact O-N 3.09Å; M95-R98 PolarHBondContact O-N 3.37Å; M95-R98 VanDerWaalsContact O-N 3.09Å; E96-R98 PolarHBondContact O-N 3.4Å; R98-L101 PolarHBondContact O-N 2.94Å; R98-L102 PolarHBondContact O-N 3.02Å; R98-P115 HydrophobicContact CB-CB 4.15Å; R98-P115 HydrophobicContact CG-CB 4.1Å; R98-L420 HydrophobicContact CB-CD2 3.59Å; R98-L420 HydrophobicContact CG-CD2 4.48Å
99	I	87.6	Confident	76.3	Confident	4 Å²	4	66.8 Å²	66.8	2%	0.021	37%	0.369	C	S	.	.	H	α-helix	trans	-63.8	-45.9	176	-65.4	166.3	0	0	0	110.4	M95 E96 L101 L102 S103 L420 R471 G474 L476	M95-I99 HydrophobicContact CG-CD1 3.9Å; M95-I99 WeakPolarHBondContact O-CG1 3.43Å; M95-I99 PolarHBondContact O-N 3Å; M95-I99 HydrophobicContact SD-CD1 4.19Å; M95-I99 HydrophobicContact SD-CG1 4.45Å; E96-I99 PolarHBondContact O-N 2.85Å; I99-L101 VanDerWaalsContact C-N 3.33Å; I99-L101 PolarHBondContact O-N 2.86Å; I99-L102 PolarHBondContact O-N 3.07Å; I99-S103 PolarHBondContact O-N 3.11Å; I99-S103 PolarHBondContact O-OG 3.39Å; I99-L420 HydrophobicContact CG1-CD1 4.32Å; I99-R471 HydrophobicContact CD1-CB 3.9Å; I99-R471 HydrophobicContact CD1-CG 4.09Å; I99-R471 HydrophobicContact CG1-CB 4.33Å; I99-R471 HydrophobicContact CG1-CG 4.18Å; I99-G474 VanDerWaalsContact CG2-O 3.25Å; I99-G474 WeakPolarHBondContact CG2-O 3.46Å; I99-L476 HydrophobicContact CD1-CB 4.06Å; I99-L476 HydrophobicContact CD1-CD1 4.27Å
100	K	86.9	Confident	73.7	Confident	113 Å²	113	74.7 Å²	74.7	49%	0.491	40%	0.403	S	S	.	.	H	α-helix	trans	-59.9	-39.9	173.1	-72.8	170.2	178.5	172.1	0	112.4	E96 S103 S104	E96-K100 HydrophobicContact CG-CD 4.44Å; E96-K100 WeakPolarHBondContact O-CB 3.36Å; E96-K100 WeakPolarHBondContact O-CG 3.37Å; E96-K100 PolarHBondContact O-N 3.31Å; E96-K100 WeakPolarHBondContact OE1-CE 3.23Å; E96-K100 IonicContact OE1-NZ 3.04Å; E96-K100 PolarHBondContact OE1-NZ 3.06Å; E96-K100 WeakPolarHBondContact OE2-CE 3.39Å; E96-K100 IonicContact OE2-NZ 3.69Å; E96-K100 PolarHBondContact OE2-NZ 3.05Å; K100-S103 PolarHBondContact O-N 2.94Å; K100-S103 PolarHBondContact O-OG 2.94Å; K100-S104 PolarHBondContact O-N 3.2Å; K100-S104 VanDerWaalsContact O-N 3.1Å; K100-S104 PolarHBondContact O-OG 2.87Å
101	L	82.5	Confident	71.4	Confident	63 Å²	63	82.1 Å²	82.1	33%	0.33	43%	0.431	S	S	.	.	H	α-helix	trans	-66.9	-42.8	177.4	-174.3	56	0	0	0	111.9	S97 R98 I99 S104 S105 A113 P115	S97-L101 WeakPolarHBondContact O-CB 3.45Å; S97-L101 PolarHBondContact O-N 3.07Å; R98-L101 PolarHBondContact O-N 2.94Å; I99-L101 VanDerWaalsContact C-N 3.33Å; I99-L101 PolarHBondContact O-N 2.86Å; L101-S104 PolarHBondContact O-N 2.92Å; L101-S104 PolarHBondContact O-OG 2.61Å; L101-S105 WeakPolarHBondContact O-CB 3.44Å; L101-S105 PolarHBondContact O-N 2.79Å; L101-S105 VanDerWaalsContact O-N 3.1Å; L101-S105 PolarHBondContact O-OG 3.13Å; L101-A113 HydrophobicContact CD2-CB 4.48Å; L101-P115 HydrophobicContact CB-CG 4.28Å; L101-P115 HydrophobicContact CD2-CB 4.1Å; L101-P115 HydrophobicContact CD2-CG 4.08Å; L101-P115 HydrophobicContact CG-CG 4.06Å
102	L	77.8	Confident	68.8	Low	60 Å²	60	86.2 Å²	86.2	31%	0.314	46%	0.456	S	S	.	.	H	α-helix	trans	-57.9	-49.7	172.9	-77.4	176.7	0	0	0	111.9	R98 I99 S104 S105 P115 L420	R98-L102 PolarHBondContact O-N 3.02Å; I99-L102 PolarHBondContact O-N 3.07Å; L102-S104 VanDerWaalsContact C-N 3.26Å; L102-S104 PolarHBondContact O-N 3.13Å; L102-S105 PolarHBondContact O-N 3.18Å; L102-S105 VanDerWaalsContact O-N 3.09Å; L102-P115 HydrophobicContact CD2-CG 3.65Å; L102-P115 HydrophobicContact CG-CG 3.75Å; L102-L420 HydrophobicContact CD1-CD1 4.3Å; L102-L420 HydrophobicContact CD1-CD2 3.93Å; L102-L420 HydrophobicContact CD1-CG 4.43Å
103	S	74.7	Confident	66.1	Low	72 Å²	72	89.2 Å²	89.2	50%	0.503	48%	0.48	S	S	.	.	H	α-helix	trans	-65.8	-26.8	-178.5	63.4	0	0	0	0	113.5	I99 K100 S106	I99-S103 PolarHBondContact O-N 3.11Å; I99-S103 PolarHBondContact O-OG 3.39Å; K100-S103 PolarHBondContact O-N 2.94Å; K100-S103 PolarHBondContact O-OG 2.94Å; S103-S106 PolarHBondContact O-OG 3.04Å; S103-S106 VanDerWaalsContact O-OG 3.07Å
104	S	68.8	Low	63.8	Low	62 Å²	62	89.8 Å²	89.8	43%	0.434	49%	0.492	S	S	.	.	H	α-helix	trans	-80.2	-21.6	172.6	75.1	0	0	0	0	114.8	K100 L101 L102	K100-S104 PolarHBondContact O-N 3.2Å; K100-S104 VanDerWaalsContact O-N 3.1Å; K100-S104 PolarHBondContact O-OG 2.87Å; L101-S104 PolarHBondContact O-N 2.92Å; L101-S104 PolarHBondContact O-OG 2.61Å; L102-S104 VanDerWaalsContact C-N 3.26Å; L102-S104 PolarHBondContact O-N 3.13Å
105	S	57.5	Low	61.9	Low	55 Å²	55	88.5 Å²	88.5	39%	0.385	48%	0.481	S	S	.	.	H	α-helix	trans	-80	-16	-172.3	-64.3	0	0	0	0	113.7	L101 L102 N107	L101-S105 WeakPolarHBondContact O-CB 3.44Å; L101-S105 PolarHBondContact O-N 2.79Å; L101-S105 VanDerWaalsContact O-N 3.1Å; L101-S105 PolarHBondContact O-OG 3.13Å; L102-S105 PolarHBondContact O-N 3.18Å; L102-S105 VanDerWaalsContact O-N 3.09Å; S105-N107 VanDerWaalsContact C-N 3.25Å; S105-N107 PolarHBondContact O-N 2.86Å
106	S	50.7	Low	60.2	Low	93 Å²	93	92.5 Å²	92.5	65%	0.65	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-33.9	173.7	51.6	0	0	0	0	113.2	S103	S103-S106 PolarHBondContact O-OG 3.04Å; S103-S106 VanDerWaalsContact O-OG 3.07Å
107	N	40.4	Very low	58.7	Low	150 Å²	150	90.3 Å²	90.3	80%	0.802	49%	0.492	S	S	*	.	S	Bend	trans	-103.5	-7.1	-171	-78.4	-11.8	0	0	0	115.3	S105	S105-N107 VanDerWaalsContact C-N 3.25Å; S105-N107 PolarHBondContact O-N 2.86Å
108	T	35.4	Very low	57.5	Low	73 Å²	73	91.7 Å²	91.7	45%	0.448	49%	0.487	S	S	.	.			trans	-143.2	137.5	-178.3	65.3	0	0	0	0	114.8	K110	T108-K110 PolarHBondContact O-N 2.93Å
109	Q	37.9	Very low	56.7	Low	184 Å²	184	88 Å²	88	86%	0.86	47%	0.474	S	S	*	.			trans	-73.6	38.1	178	-61.1	-172.5	-2.3	0	0	114.3	K111	Q109-K111 VanDerWaalsContact C-N 3.32Å; Q109-K111 PolarHBondContact O-N 3.06Å
110	K	35.4	Very low	56.2	Low	174 Å²	174	88.2 Å²	88.2	76%	0.757	48%	0.475	S	S	*	.			trans	-77.2	77.7	-178.4	-74.9	-176.9	176.8	176.7	0	111.8	T108 N112	T108-K110 PolarHBondContact O-N 2.93Å; K110-N112 PolarHBondContact O-N 3Å
111	K	41	Very low	56.2	Low	189 Å²	189	83 Å²	83	82%	0.822	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-2.9	-174.4	-76.9	-174.8	172.9	-179.5	0	118.5	Q109	Q109-K111 VanDerWaalsContact C-N 3.32Å; Q109-K111 PolarHBondContact O-N 3.06Å
112	N	35.5	Very low	56.6	Low	161 Å²	161	80.5 Å²	80.5	86%	0.861	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-8.3	-158.3	-69.9	17.3	0	0	0	116	K110	K110-N112 PolarHBondContact O-N 3Å
113	A	38.5	Very low	57.3	Low	64 Å²	64	78.2 Å²	78.2	53%	0.529	43%	0.427	S	S	.	.			trans	-156.8	91.3	167.9	0	0	0	0	0	110.2	L101 P115	L101-A113 HydrophobicContact CD2-CB 4.48Å; A113-P115 WeakPolarHBondContact O-CD 3.21Å
114	S	42.3	Very low	58.1	Low	84 Å²	84	75.3 Å²	75.3	59%	0.587	41%	0.407	S	S	*	.			trans	-67.3	120	160.4	-179.7	0	0	0	0	107.3	M116	S114-M116 PolarHBondContact O-N 2.8Å
115	P	49.3	Very low	59.2	Low	15 Å²	15	72.3 Å²	72.3	10%	0.097	39%	0.386	C	S	.	.			trans	-64.3	105.7	171.8	25.3	-30	0	0	0	107.4	R98 L101 L102 A113 P117	R98-P115 HydrophobicContact CB-CB 4.15Å; R98-P115 HydrophobicContact CG-CB 4.1Å; L101-P115 HydrophobicContact CB-CG 4.28Å; L101-P115 HydrophobicContact CD2-CB 4.1Å; L101-P115 HydrophobicContact CD2-CG 4.08Å; L101-P115 HydrophobicContact CG-CG 4.06Å; L102-P115 HydrophobicContact CD2-CG 3.65Å; L102-P115 HydrophobicContact CG-CG 3.75Å; A113-P115 WeakPolarHBondContact O-CD 3.21Å; P115-P117 WeakPolarHBondContact O-CD 3.05Å
116	M	55.2	Low	61.1	Low	91 Å²	91	69.7 Å²	69.7	45%	0.448	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-64.3	124.6	-177.9	-75.8	-55.8	-160.7	0	0	109.5	T46 S114	T46-M116 HydrophobicContact CG2-CE 3.74Å; T46-M116 HydrophobicContact CG2-SD 3.57Å; T46-M116 VanDerWaalsContact CG2-SD 3.57Å; T46-M116 PolarHBondContact OG1-SD 3.44Å; S114-M116 PolarHBondContact O-N 2.8Å
117	P	58.3	Low	63.2	Low	19 Å²	19	65.3 Å²	65.3	12%	0.123	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-65.5	147	170.5	30.9	-34.1	0	0	0	108.2	P115 H119 L420 I422	P115-P117 WeakPolarHBondContact O-CD 3.05Å; P117-H119 PolarHBondContact O-N 3.04Å; P117-L420 CarbonylContact C-O 3.56Å; P117-L420 VanDerWaalsContact CA-O 3.28Å; P117-L420 WeakPolarHBondContact CA-O 3.39Å; P117-L420 VanDerWaalsContact CB-O 3.31Å; P117-L420 WeakPolarHBondContact CB-O 3.4Å; P117-I422 HydrophobicContact CB-CG1 3.76Å; P117-I422 HydrophobicContact CG-CD1 3.83Å; P117-I422 HydrophobicContact CG-CG1 3.57Å
118	Y	63.7	Low	65.8	Low	97 Å²	97	58.7 Å²	58.7	38%	0.38	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-85.8	119	-175	-175.2	-87.3	0	0	0	109.5	I120 F405 P419 L420	Y118-I120 HydrophobicContact CD1-CB 4.34Å; Y118-I120 PolarHBondContact O-N 3.33Å; Y118-F405 HydrophobicContact CE1-CE2 4.21Å; Y118-F405 HydrophobicContact CE1-CZ 4.07Å; Y118-P419 HydrophobicContact CD1-CB 3.35Å; Y118-P419 HydrophobicContact CD1-CG 3.62Å; Y118-P419 HydrophobicContact CE1-CB 4.24Å; Y118-P419 HydrophobicContact CE1-CG 4.03Å; Y118-P419 HydrophobicContact CG-CB 3.66Å; Y118-P419 HydrophobicContact CG-CG 4.33Å; Y118-L420 PolarHBondContact N-O 3.14Å
119	H	71.9	Confident	68.7	Low	26 Å²	26	55.2 Å²	55.2	12%	0.12	28%	0.28	C	S	.	.			trans	-77.2	76.5	179.8	-63.2	-71.8	0	0	0	110.9	Y39 T46 G49 P117 F121 L122	Y39-H119 AromaticContact CE1-CD2 3.96Å; Y39-H119 AromaticContact CE1-NE2 3.63Å; T46-H119 WeakPolarHBondContact CB-NE2 3.4Å; T46-H119 VanDerWaalsContact CG2-NE2 3.27Å; T46-H119 WeakPolarHBondContact CG2-NE2 3.11Å; G49-H119 PolarHBondContact O-CE1 3.06Å; G49-H119 VanDerWaalsContact O-CE1 3.29Å; G49-H119 PolarHBondContact O-ND1 3.45Å; P117-H119 PolarHBondContact O-N 3.04Å; H119-F121 PolarHBondContact O-N 3.2Å; H119-L122 HydrophobicContact CB-CD1 3.66Å; H119-L122 HydrophobicContact CB-CD2 4.08Å; H119-L122 HydrophobicContact CB-CG 3.52Å; H119-L122 WeakPolarHBondContact O-CG 3.41Å; H119-L122 PolarHBondContact O-N 3.06Å; H119-L122 VanDerWaalsContact O-N 3.08Å
120	I	76.5	Confident	71.5	Confident	7 Å²	7	46.4 Å²	46.4	4%	0.036	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.5	-25	-179.8	178.1	163.4	0	0	0	114.9	Y118 P404 F405 P419 L421 Y432	Y118-I120 HydrophobicContact CD1-CB 4.34Å; Y118-I120 PolarHBondContact O-N 3.33Å; I120-P404 HydrophobicContact CD1-CG 4.07Å; I120-P404 HydrophobicContact CG1-CB 4.39Å; I120-P404 HydrophobicContact CG1-CG 3.53Å; I120-F405 HydrophobicContact CD1-CD2 3.9Å; I120-F405 HydrophobicContact CD1-CE2 4.16Å; I120-F405 HydrophobicContact CG1-CD2 4.22Å; I120-F405 HydrophobicContact CG1-CE2 4.06Å; I120-P419 HydrophobicContact CB-CG 4.49Å; I120-P419 HydrophobicContact CD1-CG 4.27Å; I120-L421 HydrophobicContact CG2-CD2 3.83Å; I120-Y432 HydrophobicContact CD1-CE1 4.4Å
121	F	86.3	Confident	74.4	Confident	4 Å²	4	40.8 Å²	40.8	2%	0.018	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-3.9	-175.7	-48.6	-48.7	0	0	0	115.6	Y52 H119 Q123 S124 M125 H608 N612	Y52-F121 HydrophobicContact CE1-CB 4.35Å; H119-F121 PolarHBondContact O-N 3.2Å; F121-Q123 VanDerWaalsContact C-N 3.3Å; F121-Q123 PolarHBondContact O-N 3.37Å; F121-S124 WeakPolarHBondContact CA-OG 3.45Å; F121-S124 PolarHBondContact O-N 3.41Å; F121-S124 PolarHBondContact O-OG 3.49Å; F121-M125 HydrophobicContact CB-CE 4.26Å; F121-M125 WeakPolarHBondContact O-CG 3.38Å; F121-M125 PolarHBondContact O-N 2.91Å; F121-H608 AromaticContact CD2-CE1 3.32Å; F121-H608 WeakPolarHBondContact CD2-CE1 3.47Å; F121-H608 AromaticContact CD2-CG 3.98Å; F121-H608 AromaticContact CD2-ND1 3.5Å; F121-H608 WeakPolarHBondContact CD2-ND1 3.33Å; F121-H608 AromaticContact CD2-NE2 3.68Å; F121-H608 HydrophobicContact CE2-CB 4.32Å; F121-H608 AromaticContact CE2-CE1 3.9Å; F121-H608 AromaticContact CE2-CG 3.75Å; F121-H608 AromaticContact CE2-ND1 3.64Å; F121-N612 HydrophobicContact CD1-CB 4.41Å; F121-N612 WeakPolarHBondContact CD1-ND2 3.34Å; F121-N612 HydrophobicContact CE1-CB 4.04Å; F121-N612 WeakPolarHBondContact CE1-ND2 3.49Å; F121-N612 WeakPolarHBondContact CG-ND2 3.27Å; F121-N612 WeakPolarHBondContact CZ-ND2 3.44Å
122	L	91	Very high	76.9	Confident	11 Å²	11	36.5 Å²	36.5	6%	0.058	21%	0.208	C	C	.	.	H	α-helix	trans	-61.1	-36.8	-175.1	-64.5	-179.2	0	0	0	113.5	Y39 Y52 Y55 H119 M125 L126	Y39-L122 HydrophobicContact CD2-CD1 4.09Å; Y39-L122 HydrophobicContact CD2-CD2 3.43Å; Y39-L122 VanDerWaalsContact CD2-CD2 3.43Å; Y39-L122 HydrophobicContact CD2-CG 4.42Å; Y39-L122 HydrophobicContact CE2-CD2 3.94Å; Y39-L122 HydrophobicContact CG-CD1 3.93Å; Y39-L122 HydrophobicContact CG-CD2 4.14Å; Y52-L122 HydrophobicContact CD1-CD2 4.35Å; Y52-L122 HydrophobicContact CE1-CD2 4.31Å; Y55-L122 HydrophobicContact CD1-CD2 4.22Å; Y55-L122 HydrophobicContact CE1-CD2 4.11Å; Y55-L122 HydrophobicContact CG-CD2 4.46Å; H119-L122 HydrophobicContact CB-CD1 3.66Å; H119-L122 HydrophobicContact CB-CD2 4.08Å; H119-L122 HydrophobicContact CB-CG 3.52Å; H119-L122 WeakPolarHBondContact O-CG 3.41Å; H119-L122 PolarHBondContact O-N 3.06Å; H119-L122 VanDerWaalsContact O-N 3.08Å; L122-M125 PolarHBondContact O-N 3.31Å; L122-L126 WeakPolarHBondContact O-CB 3.32Å; L122-L126 PolarHBondContact O-N 3.39Å
123	Q	92.8	Very high	79.7	Confident	11 Å²	11	30.6 Å²	30.6	5%	0.051	18%	0.176	C	C	.	.	H	α-helix	trans	-63.5	-46.5	176.8	-60.3	-179.8	21.9	0	0	110.7	F77 F121 M125 L126 T127 H400	F77-Q123 HydrophobicContact CD1-CB 4.28Å; F77-Q123 HydrophobicContact CD1-CG 4.22Å; F77-Q123 HydrophobicContact CE1-CB 4.02Å; F77-Q123 HydrophobicContact CE1-CG 4.16Å; F121-Q123 VanDerWaalsContact C-N 3.3Å; F121-Q123 PolarHBondContact O-N 3.37Å; Q123-M125 PolarHBondContact O-N 3.12Å; Q123-L126 WeakPolarHBondContact O-CB 3.05Å; Q123-L126 PolarHBondContact O-N 3.32Å; Q123-T127 PolarHBondContact O-N 3.26Å; Q123-T127 PolarHBondContact O-OG1 2.86Å; Q123-H400 PolarHBondContact OE1-CE1 3.35Å; Q123-H400 VanDerWaalsContact OE1-CE1 3.24Å
124	S	91.8	Very high	82.4	Confident	11 Å²	11	36.4 Å²	36.4	8%	0.077	19%	0.192	C	C	.	.	H	α-helix	trans	-64.7	-37.7	176.6	45.5	0	0	0	0	113.5	F121 T127 D128	F121-S124 WeakPolarHBondContact CA-OG 3.45Å; F121-S124 PolarHBondContact O-N 3.41Å; F121-S124 PolarHBondContact O-OG 3.49Å; S124-T127 WeakPolarHBondContact CA-OG1 3.28Å; S124-T127 PolarHBondContact O-N 3.19Å; S124-T127 PolarHBondContact O-OG1 3.34Å; S124-T127 VanDerWaalsContact O-OG1 3.09Å; S124-D128 WeakPolarHBondContact O-CB 3.27Å; S124-D128 PolarHBondContact O-N 3.49Å
125	M	92.6	Very high	85	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.6	-41.1	174.2	-59.8	-54	-177.3	0	0	111.1	Y52 Y55 I56 F121 L122 Q123 D128 V129 H608 W640	Y52-M125 HydrophobicContact CD1-CE 3.74Å; Y52-M125 HydrophobicContact CD1-CG 3.9Å; Y52-M125 HydrophobicContact CD2-CE 4.28Å; Y52-M125 HydrophobicContact CE1-CE 4.18Å; Y52-M125 HydrophobicContact CG-CE 3.77Å; Y52-M125 HydrophobicContact CG-CG 4.49Å; Y55-M125 HydrophobicContact CD1-CB 4.37Å; Y55-M125 HydrophobicContact CE1-CB 4.15Å; I56-M125 HydrophobicContact CG2-CB 4.06Å; F121-M125 HydrophobicContact CB-CE 4.26Å; F121-M125 WeakPolarHBondContact O-CG 3.38Å; F121-M125 PolarHBondContact O-N 2.91Å; L122-M125 PolarHBondContact O-N 3.31Å; Q123-M125 PolarHBondContact O-N 3.12Å; M125-D128 PolarHBondContact O-N 3.25Å; M125-V129 WeakPolarHBondContact O-CG2 3.19Å; M125-V129 PolarHBondContact O-N 3.25Å; M125-V129 VanDerWaalsContact O-N 3.14Å; M125-H608 VanDerWaalsContact CE-CE1 3.48Å; M125-H608 WeakPolarHBondContact CE-CE1 3.15Å; M125-H608 WeakPolarHBondContact CE-NE2 3.42Å; M125-W640 HydrophobicContact CE-CB 4.32Å; M125-W640 HydrophobicContact SD-CB 3.74Å; M125-W640 HydrophobicContact SD-CG 4.16Å; M125-W640 PolarHBondContact SD-N 3.27Å; M125-W640 VanDerWaalsContact SD-N 3.42Å
126	L	95.6	Very high	87.2	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.9	-49.8	175.1	176.7	60.4	0	0	0	110.8	G31 F34 I59 F75 F77 L122 Q123 D128 V129 L130	G31-L126 WeakPolarHBondContact O-CD2 3.41Å; F34-L126 HydrophobicContact CD1-CD1 4.12Å; F34-L126 HydrophobicContact CD1-CD2 3.75Å; F34-L126 HydrophobicContact CE1-CD1 3.87Å; F34-L126 HydrophobicContact CE1-CD2 4.34Å; I59-L126 HydrophobicContact CG2-CD1 3.87Å; F75-L126 HydrophobicContact CD1-CD2 4.34Å; F75-L126 HydrophobicContact CE1-CD2 4.32Å; F77-L126 HydrophobicContact CE1-CD2 4.18Å; F77-L126 HydrophobicContact CZ-CD2 3.92Å; F77-L126 HydrophobicContact CZ-CG 4.35Å; L122-L126 WeakPolarHBondContact O-CB 3.32Å; L122-L126 PolarHBondContact O-N 3.39Å; Q123-L126 WeakPolarHBondContact O-CB 3.05Å; Q123-L126 PolarHBondContact O-N 3.32Å; L126-D128 VanDerWaalsContact C-N 3.31Å; L126-D128 PolarHBondContact O-N 3.47Å; L126-V129 CarbonylContact O-C 3.59Å; L126-V129 WeakPolarHBondContact O-CA 3.46Å; L126-V129 WeakPolarHBondContact O-CB 3.49Å; L126-V129 PolarHBondContact O-N 2.85Å; L126-L130 HydrophobicContact CD1-CD1 4.15Å; L126-L130 HydrophobicContact CD1-CD2 4.22Å; L126-L130 HydrophobicContact CD1-CG 4Å; L126-L130 HydrophobicContact CG-CD1 3.91Å; L126-L130 HydrophobicContact CG-CG 4.2Å; L126-L130 WeakPolarHBondContact O-CG 3.21Å; L126-L130 PolarHBondContact O-N 2.91Å
127	T	96.1	Very high	89.2	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66.3	-30.7	-180	52.5	0	0	0	0	113.7	F77 Q123 S124 V129 S131 F137 H400	F77-T127 HydrophobicContact CD2-CG2 4.36Å; F77-T127 HydrophobicContact CE1-CG2 4.42Å; F77-T127 HydrophobicContact CE2-CG2 3.51Å; F77-T127 HydrophobicContact CZ-CG2 3.55Å; Q123-T127 PolarHBondContact O-N 3.26Å; Q123-T127 PolarHBondContact O-OG1 2.86Å; S124-T127 WeakPolarHBondContact CA-OG1 3.28Å; S124-T127 PolarHBondContact O-N 3.19Å; S124-T127 PolarHBondContact O-OG1 3.34Å; S124-T127 VanDerWaalsContact O-OG1 3.09Å; T127-V129 VanDerWaalsContact C-N 3.34Å; T127-S131 WeakPolarHBondContact O-CB 3.43Å; T127-S131 PolarHBondContact O-N 3.26Å; T127-S131 PolarHBondContact O-OG 3.33Å; T127-F137 HydrophobicContact CG2-CD2 3.66Å; T127-F137 HydrophobicContact CG2-CE2 3.55Å; T127-F137 HydrophobicContact CG2-CG 4.36Å; T127-F137 HydrophobicContact CG2-CZ 4.17Å; T127-H400 HydrophobicContact CG2-CB 3.78Å
128	D	94.9	Very high	91	Very high	11 Å²	11	33.9 Å²	33.9	6%	0.059	17%	0.165	C	C	.	.	H	α-helix	trans	-67.5	-34	171.6	-72.9	-19.8	0	0	0	110.9	S124 M125 L126 D132 K401 R615 P638	S124-D128 WeakPolarHBondContact O-CB 3.27Å; S124-D128 PolarHBondContact O-N 3.49Å; M125-D128 PolarHBondContact O-N 3.25Å; L126-D128 VanDerWaalsContact C-N 3.31Å; L126-D128 PolarHBondContact O-N 3.47Å; D128-D132 WeakPolarHBondContact O-CB 3.06Å; D128-D132 PolarHBondContact O-N 3.49Å; D128-D132 VanDerWaalsContact O-N 3.17Å; D128-K401 IonicContact OD1-NZ 2.66Å; D128-K401 PolarHBondContact OD1-NZ 3.08Å; D128-R615 IonicContact OD1-NH2 2.75Å; D128-R615 IonicContact OD2-CZ 3.88Å; D128-R615 IonicContact OD2-NH1 3.38Å; D128-R615 PolarHBondContact OD2-NH1 3.17Å; D128-R615 IonicContact OD2-NH2 3.16Å; D128-R615 PolarHBondContact OD2-NH2 2.93Å; D128-P638 HydrophobicContact CB-CB 4.01Å; D128-P638 HydrophobicContact CB-CG 4.28Å
129	V	95.9	Very high	92.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-72.9	-41.3	170.7	174.8	0	0	0	0	113	I56 I59 K60 L63 M125 L126 T127 S131 D132 M133	I56-V129 HydrophobicContact CB-CG2 3.61Å; I56-V129 HydrophobicContact CG2-CG2 3.6Å; I59-V129 HydrophobicContact CG2-CG1 4.15Å; K60-V129 HydrophobicContact CG-CG1 3.8Å; L63-V129 HydrophobicContact CD1-CG1 4.19Å; M125-V129 WeakPolarHBondContact O-CG2 3.19Å; M125-V129 PolarHBondContact O-N 3.25Å; M125-V129 VanDerWaalsContact O-N 3.14Å; L126-V129 CarbonylContact O-C 3.59Å; L126-V129 WeakPolarHBondContact O-CA 3.46Å; L126-V129 WeakPolarHBondContact O-CB 3.49Å; L126-V129 PolarHBondContact O-N 2.85Å; T127-V129 VanDerWaalsContact C-N 3.34Å; V129-S131 PolarHBondContact O-N 2.79Å; V129-D132 WeakPolarHBondContact O-CB 3.43Å; V129-D132 PolarHBondContact O-N 2.75Å; V129-D132 VanDerWaalsContact O-N 3.14Å; V129-M133 HydrophobicContact CG1-CG 4.33Å; V129-M133 HydrophobicContact CG1-SD 3.93Å; V129-M133 WeakPolarHBondContact O-CG 3.36Å; V129-M133 PolarHBondContact O-N 2.8Å
130	L	97.3	Very high	93.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.6	-32.9	177.2	-63.3	174.8	0	0	0	111.2	L63 F75 L126 E134 I135 F137	L63-L130 HydrophobicContact CD1-CD2 3.87Å; F75-L130 HydrophobicContact CB-CD1 3.74Å; F75-L130 HydrophobicContact CD1-CD1 3.97Å; F75-L130 HydrophobicContact CD2-CD1 3.68Å; F75-L130 HydrophobicContact CD2-CD2 3.64Å; F75-L130 HydrophobicContact CD2-CG 4.33Å; F75-L130 HydrophobicContact CE1-CD1 4.49Å; F75-L130 HydrophobicContact CE2-CD1 4.24Å; F75-L130 HydrophobicContact CE2-CD2 3.46Å; F75-L130 VanDerWaalsContact CE2-CD2 3.46Å; F75-L130 HydrophobicContact CG-CD1 3.52Å; F75-L130 HydrophobicContact CG-CD2 4.29Å; F75-L130 HydrophobicContact CZ-CD2 3.96Å; L126-L130 HydrophobicContact CD1-CD1 4.15Å; L126-L130 HydrophobicContact CD1-CD2 4.22Å; L126-L130 HydrophobicContact CD1-CG 4Å; L126-L130 HydrophobicContact CG-CD1 3.91Å; L126-L130 HydrophobicContact CG-CG 4.2Å; L126-L130 WeakPolarHBondContact O-CG 3.21Å; L126-L130 PolarHBondContact O-N 2.91Å; L130-E134 PolarHBondContact O-N 2.93Å; L130-I135 HydrophobicContact CB-CB 4.35Å; L130-I135 HydrophobicContact CD2-CB 3.94Å; L130-I135 HydrophobicContact CD2-CD1 4.04Å; L130-I135 HydrophobicContact CD2-CG2 3.78Å; L130-I135 PolarHBondContact O-N 3.04Å; L130-F137 HydrophobicContact CB-CD1 3.72Å; L130-F137 HydrophobicContact CB-CE1 4.16Å; L130-F137 HydrophobicContact CB-CG 4.46Å; L130-F137 HydrophobicContact CD1-CB 3.99Å; L130-F137 HydrophobicContact CD1-CD1 4.35Å; L130-F137 HydrophobicContact CD1-CG 4.29Å
131	S	95.1	Very high	94.2	Very high	55 Å²	55	28.2 Å²	28.2	39%	0.385	14%	0.143	S	C	.	.	H	α-helix	trans	-65	-47.6	169.7	-53.1	0	0	0	0	112	T127 V129 M133 E134 F137	T127-S131 WeakPolarHBondContact O-CB 3.43Å; T127-S131 PolarHBondContact O-N 3.26Å; T127-S131 PolarHBondContact O-OG 3.33Å; V129-S131 PolarHBondContact O-N 2.79Å; S131-M133 PolarHBondContact O-N 3.43Å; S131-E134 PolarHBondContact O-N 2.56Å; S131-F137 WeakPolarHBondContact OG-CE1 3.21Å
132	D	93.6	Very high	94.3	Very high	100 Å²	100	28.3 Å²	28.3	54%	0.535	14%	0.143	S	C	.	.	H	α-helix	trans	-59.8	-29.7	178.5	-168.7	50.5	0	0	0	112.7	K60 D128 V129	K60-D132 WeakPolarHBondContact CE-OD2 3.21Å; K60-D132 IonicContact NZ-OD2 2.79Å; K60-D132 PolarHBondContact NZ-OD2 2.89Å; D128-D132 WeakPolarHBondContact O-CB 3.06Å; D128-D132 PolarHBondContact O-N 3.49Å; D128-D132 VanDerWaalsContact O-N 3.17Å; V129-D132 WeakPolarHBondContact O-CB 3.43Å; V129-D132 PolarHBondContact O-N 2.75Å; V129-D132 VanDerWaalsContact O-N 3.14Å
133	M	95.1	Very high	94.1	Very high	37 Å²	37	28 Å²	28	18%	0.182	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	8.4	-179	-62	-173.7	73.4	0	0	114.6	K60 L63 N64 V129 S131 I135	K60-M133 HydrophobicContact CB-SD 4.32Å; K60-M133 HydrophobicContact CG-SD 3.94Å; L63-M133 HydrophobicContact CB-CE 3.64Å; L63-M133 HydrophobicContact CB-SD 3.82Å; L63-M133 HydrophobicContact CD1-SD 3.73Å; L63-M133 HydrophobicContact CG-SD 4.44Å; N64-M133 VanDerWaalsContact OD1-CE 3.28Å; N64-M133 WeakPolarHBondContact OD1-CE 3.19Å; V129-M133 HydrophobicContact CG1-CG 4.33Å; V129-M133 HydrophobicContact CG1-SD 3.93Å; V129-M133 WeakPolarHBondContact O-CG 3.36Å; V129-M133 PolarHBondContact O-N 2.8Å; S131-M133 PolarHBondContact O-N 3.43Å; M133-I135 HydrophobicContact CB-CD1 3.85Å; M133-I135 HydrophobicContact CB-CG1 4.17Å; M133-I135 PolarHBondContact O-N 3.3Å
134	E	94.9	Very high	93.9	Very high	185 Å²	185	29.9 Å²	29.9	86%	0.864	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	25.1	-178.1	-55.7	-174.4	145.8	0	0	115.1	L130 S131	L130-E134 PolarHBondContact O-N 2.93Å; S131-E134 PolarHBondContact O-N 2.56Å
135	I	96.3	Very high	93.8	Very high	28 Å²	28	30.4 Å²	30.4	14%	0.144	15%	0.15	C	C	.	.			trans	-84.3	131.7	-178.4	-67.4	164.6	0	0	0	110.4	L63 P73 F75 L130 M133 F137	L63-I135 HydrophobicContact CB-CD1 4.23Å; L63-I135 HydrophobicContact CD1-CD1 3.87Å; L63-I135 HydrophobicContact CD2-CD1 4.02Å; L63-I135 HydrophobicContact CG-CD1 4.26Å; P73-I135 HydrophobicContact CG-CG2 3.9Å; F75-I135 HydrophobicContact CD2-CG2 3.81Å; F75-I135 HydrophobicContact CE2-CG2 3.98Å; L130-I135 HydrophobicContact CB-CB 4.35Å; L130-I135 HydrophobicContact CD2-CB 3.94Å; L130-I135 HydrophobicContact CD2-CD1 4.04Å; L130-I135 HydrophobicContact CD2-CG2 3.78Å; L130-I135 PolarHBondContact O-N 3.04Å; M133-I135 HydrophobicContact CB-CD1 3.85Å; M133-I135 HydrophobicContact CB-CG1 4.17Å; M133-I135 PolarHBondContact O-N 3.3Å; I135-F137 PolarHBondContact O-N 3.42Å
136	K	95.9	Very high	93.6	Very high	95 Å²	95	31 Å²	31	41%	0.413	15%	0.152	S	C	.	.			trans	-62	129.1	-179.9	-66.5	-175.6	174.9	-177.3	0	111.3	S74 F75 L331 H332	S74-K136 WeakPolarHBondContact CA-O 3.34Å; F75-K136 PolarHBondContact N-O 2.86Å; K136-L331 HydrophobicContact CB-CD1 3.98Å; K136-L331 HydrophobicContact CB-CG 4.4Å; K136-H332 PolarHBondContact NZ-CE1 3.39Å; K136-H332 PolarHBondContact NZ-ND1 3.47Å; K136-H332 PolarHBondContact NZ-NE2 3.09Å
137	F	97	Very high	93.4	Very high	31 Å²	31	31 Å²	31	14%	0.136	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	156.4	171.4	72.9	-89.6	0	0	0	112.8	F75 F77 T127 L130 S131 I135 H400	F75-F137 HydrophobicContact CB-CB 3.79Å; F75-F137 CarbonylContact O-C 3.56Å; F75-F137 WeakPolarHBondContact O-CA 3.46Å; F77-F137 HydrophobicContact CE2-CB 4.33Å; F77-F137 HydrophobicContact CE2-CD2 4.29Å; T127-F137 HydrophobicContact CG2-CD2 3.66Å; T127-F137 HydrophobicContact CG2-CE2 3.55Å; T127-F137 HydrophobicContact CG2-CG 4.36Å; T127-F137 HydrophobicContact CG2-CZ 4.17Å; L130-F137 HydrophobicContact CB-CD1 3.72Å; L130-F137 HydrophobicContact CB-CE1 4.16Å; L130-F137 HydrophobicContact CB-CG 4.46Å; L130-F137 HydrophobicContact CD1-CB 3.99Å; L130-F137 HydrophobicContact CD1-CD1 4.35Å; L130-F137 HydrophobicContact CD1-CG 4.29Å; S131-F137 WeakPolarHBondContact OG-CE1 3.21Å; I135-F137 PolarHBondContact O-N 3.42Å; F137-H400 HydrophobicContact CE2-CB 4.15Å
138	L	96	Very high	93.3	Very high	3 Å²	3	31 Å²	31	2%	0.016	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	129	-179.9	169.2	63.2	0	0	0	111	F75 L76 F77 L327 L331 F398	F75-L138 PolarHBondContact O-N 2.98Å; L76-L138 HydrophobicContact CD2-CB 3.91Å; L76-L138 HydrophobicContact CD2-CD2 4.11Å; L76-L138 HydrophobicContact CD2-CG 4.11Å; F77-L138 PolarHBondContact N-O 3.31Å; L138-L327 HydrophobicContact CD2-CB 4.31Å; L138-L327 HydrophobicContact CD2-CD2 3.74Å; L138-L327 WeakPolarHBondContact CD2-O 3.49Å; L138-L331 HydrophobicContact CB-CB 4.49Å; L138-L331 HydrophobicContact CB-CD1 3.83Å; L138-L331 HydrophobicContact CD2-CB 4.14Å; L138-F398 HydrophobicContact CD1-CB 3.52Å; L138-F398 HydrophobicContact CD1-CD1 3.85Å; L138-F398 HydrophobicContact CD1-CD2 4.27Å; L138-F398 HydrophobicContact CD1-CG 3.62Å
139	K	95.3	Very high	93.1	Very high	5 Å²	5	30.5 Å²	30.5	2%	0.022	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	112.6	163.6	-168.5	169.3	-172	159.3	0	110.2	F77 G78 D80 Y397 F398	F77-K139 HydrophobicContact CB-CB 4.25Å; F77-K139 HydrophobicContact CB-CG 4.01Å; G78-K139 WeakPolarHBondContact O-CE 3.44Å; G78-K139 WeakPolarHBondContact O-CG 3.44Å; D80-K139 IonicContact OD2-NZ 2.71Å; D80-K139 PolarHBondContact OD2-NZ 2.91Å; K139-Y397 HydrophobicContact CD-CD2 4.48Å; K139-Y397 HydrophobicContact CD-CE2 3.78Å; K139-Y397 HydrophobicContact CG-CE1 4.24Å; K139-Y397 HydrophobicContact CG-CE2 4.13Å; K139-Y397 WeakPolarHBondContact O-CE1 3.5Å; K139-F398 PolarHBondContact N-O 2.69Å; K139-F398 WeakPolarHBondContact O-CD1 3.42Å
140	S	93.7	Very high	92.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.15	C	C	.	.			trans	-73.4	144.6	179.1	-176.5	0	0	0	0	111.5	F77 G78 S79 Y142 S147 Y397	F77-S140 WeakPolarHBondContact O-CB 3.21Å; F77-S140 PolarHBondContact O-N 3.47Å; G78-S140 CarbonylContact C-O 3.56Å; S79-S140 PolarHBondContact N-O 2.98Å; S140-Y142 PolarHBondContact O-N 3.23Å; S140-Y142 WeakPolarHBondContact OG-CB 3.35Å; S140-Y142 PolarHBondContact OG-N 2.91Å; S140-S147 WeakPolarHBondContact CB-OG 3.06Å; S140-S147 PolarHBondContact OG-OG 2.91Å; S140-Y397 PolarHBondContact O-OH 3.22Å
141	P	90.6	Very high	92.6	Very high	6 Å²	6	30.5 Å²	30.5	4%	0.039	15%	0.15	C	C	.	.	S	Bend	trans	-79.4	-2.3	166.4	32.9	-32.4	0	0	0	112.5	S79 F385 T386 Y397 F398	S79-P141 WeakPolarHBondContact CB-O 3.33Å; P141-F385 HydrophobicContact CB-CE1 3.84Å; P141-F385 HydrophobicContact CB-CE2 4.36Å; P141-F385 HydrophobicContact CB-CZ 3.76Å; P141-F385 VanDerWaalsContact O-CE1 3.3Å; P141-F385 WeakPolarHBondContact O-CE1 3.39Å; P141-T386 HydrophobicContact CB-CG2 3.82Å; P141-T386 HydrophobicContact CG-CG2 4.42Å; P141-Y397 HydrophobicContact CB-CE1 4.12Å; P141-F398 HydrophobicContact CG-CE1 4.43Å
142	Y	88.5	Confident	92.5	Very high	6 Å²	6	27.9 Å²	27.9	2%	0.024	13%	0.131	C	C	.	.	S	Bend	trans	-105.6	172	-176.2	-58	-77.7	0	0	0	112.3	S79 S140 L323 K326 I379 D384	S79-Y142 PolarHBondContact N-O 3.15Å; S79-Y142 VanDerWaalsContact N-O 3.1Å; S140-Y142 PolarHBondContact O-N 3.23Å; S140-Y142 WeakPolarHBondContact OG-CB 3.35Å; S140-Y142 PolarHBondContact OG-N 2.91Å; Y142-L323 HydrophobicContact CD1-CD1 4.38Å; Y142-L323 HydrophobicContact CD2-CD1 3.2Å; Y142-L323 HydrophobicContact CE2-CD1 3.36Å; Y142-L323 HydrophobicContact CG-CD1 3.74Å; Y142-L323 HydrophobicContact CG-CD2 4.39Å; Y142-K326 HydrophobicContact CE2-CD 4.47Å; Y142-K326 PolarHBondContact OH-NZ 2.96Å; Y142-I379 HydrophobicContact CE1-CD1 3.97Å; Y142-D384 HydrophobicContact CE1-CB 3.93Å; Y142-D384 PolarHBondContact OH-OD2 2.94Å
143	P	86.8	Confident	92.3	Very high	5 Å²	5	24.5 Å²	24.5	3%	0.032	11%	0.114	C	C	.	.			trans	-56.8	140.3	178.6	-28.5	39.4	0	0	0	112.2	E82 R146 S147 S382	E82-P143 HydrophobicContact CG-CG 4.22Å; E82-P143 WeakPolarHBondContact OE1-CG 3.24Å; E82-P143 VanDerWaalsContact OE2-CB 3.3Å; E82-P143 WeakPolarHBondContact OE2-CB 3.49Å; P143-R146 HydrophobicContact CB-CB 4.08Å; P143-R146 PolarHBondContact O-N 3.47Å; P143-S147 WeakPolarHBondContact O-CB 3.37Å; P143-S147 PolarHBondContact O-N 2.99Å; P143-S147 PolarHBondContact O-OG 3.22Å; P143-S382 WeakPolarHBondContact CD-OG 3.37Å
144	R	89.6	Confident	92	Very high	50 Å²	50	26.7 Å²	26.7	19%	0.189	12%	0.121	C	C	.	.	H	α-helix	trans	-57.2	-59.5	-172.9	-167.8	178.5	86.4	-163	9	113.2	D30 E32 D33 R146 S147 C148 S163	D30-R144 VanDerWaalsContact CG-NE 3.33Å; D30-R144 WeakPolarHBondContact OD1-CD 3.31Å; D30-R144 IonicContact OD1-CZ 3.24Å; D30-R144 IonicContact OD1-NE 3.34Å; D30-R144 PolarHBondContact OD1-NE 3.49Å; D30-R144 VanDerWaalsContact OD1-NE 3.16Å; D30-R144 IonicContact OD1-NH2 2.68Å; D30-R144 WeakPolarHBondContact OD2-CD 3.33Å; D30-R144 IonicContact OD2-CZ 2.67Å; D30-R144 IonicContact OD2-NE 3.87Å; D30-R144 PolarHBondContact OD2-NE 2.92Å; D30-R144 IonicContact OD2-NH2 3.7Å; D30-R144 PolarHBondContact OD2-NH2 3.28Å; E32-R144 WeakPolarHBondContact OE1-CD 3.4Å; E32-R144 VanDerWaalsContact OE2-CD 3.22Å; E32-R144 WeakPolarHBondContact OE2-CD 3.37Å; E32-R144 IonicContact OE2-CZ 3.46Å; E32-R144 IonicContact OE2-NE 2.69Å; E32-R144 IonicContact OE2-NH1 3.56Å; E32-R144 PolarHBondContact OE2-NH1 3.01Å; D33-R144 VanDerWaalsContact CG-NH2 3.26Å; D33-R144 IonicContact OD1-CZ 3.02Å; D33-R144 IonicContact OD1-NH1 3.41Å; D33-R144 IonicContact OD1-NH2 3.62Å; D33-R144 PolarHBondContact OD1-NH2 2.9Å; D33-R144 IonicContact OD2-NH2 2.68Å; R144-R146 PolarHBondContact O-N 3.31Å; R144-S147 WeakPolarHBondContact O-CB 3.41Å; R144-S147 PolarHBondContact O-N 3.15Å; R144-S147 VanDerWaalsContact O-N 3.09Å; R144-C148 PolarHBondContact O-N 3.43Å; R144-C148 PolarHBondContact O-SG 2.96Å; R144-C148 VanDerWaalsContact O-SG 3.39Å; R144-S163 PolarHBondContact NH2-OG 3.33Å
145	I	89.8	Confident	91.9	Very high	21 Å²	21	19.6 Å²	19.6	11%	0.108	9%	0.089	C	C	.	.	H	α-helix	trans	-56.3	-50.4	-178.6	-53.1	-58.3	0	0	0	110.2	S147 C148 V149 E165 Y166 I169	I145-S147 VanDerWaalsContact C-N 3.31Å; I145-S147 PolarHBondContact O-N 3.48Å; I145-C148 PolarHBondContact O-N 2.88Å; I145-V149 HydrophobicContact CG2-CG2 4.17Å; I145-V149 VanDerWaalsContact O-CB 3.28Å; I145-V149 WeakPolarHBondContact O-CB 3.3Å; I145-V149 WeakPolarHBondContact O-CG2 3.31Å; I145-V149 PolarHBondContact O-N 3.03Å; I145-E165 HydrophobicContact CD1-CB 4.26Å; I145-E165 HydrophobicContact CG1-CB 4.29Å; I145-E165 HydrophobicContact CG2-CB 4.33Å; I145-Y166 HydrophobicContact CD1-CD2 4.27Å; I145-Y166 HydrophobicContact CD1-CE1 4.26Å; I145-Y166 HydrophobicContact CD1-CE2 3.54Å; I145-Y166 HydrophobicContact CG2-CD1 4.45Å; I145-Y166 HydrophobicContact CG2-CE1 4.12Å; I145-I169 HydrophobicContact CG2-CD1 3.68Å
146	R	87.8	Confident	91.6	Very high	13 Å²	13	23.7 Å²	23.7	5%	0.049	11%	0.107	C	C	.	.	H	α-helix	trans	-58.1	-40.8	177.2	-171.3	-178.8	173.1	159.8	-2	112.4	P143 R144 S150 G316 D320 L323	P143-R146 HydrophobicContact CB-CB 4.08Å; P143-R146 PolarHBondContact O-N 3.47Å; R144-R146 PolarHBondContact O-N 3.31Å; R146-S150 WeakPolarHBondContact O-CB 3.47Å; R146-S150 PolarHBondContact O-N 2.88Å; R146-S150 PolarHBondContact O-OG 3.45Å; R146-G316 PolarHBondContact N-O 2.74Å; R146-D320 IonicContact CZ-OD2 2.98Å; R146-D320 IonicContact NE-OD2 3.99Å; R146-D320 IonicContact NH2-OD2 3.9Å; R146-D320 PolarHBondContact NH2-OD2 3.39Å; R146-L323 HydrophobicContact CG-CD2 3.93Å
147	S	91.2	Very high	91.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64.5	-50.4	179.4	-58	0	0	0	0	111.3	S140 P143 R144 I145 V149 S150 L151	S140-S147 WeakPolarHBondContact CB-OG 3.06Å; S140-S147 PolarHBondContact OG-OG 2.91Å; P143-S147 WeakPolarHBondContact O-CB 3.37Å; P143-S147 PolarHBondContact O-N 2.99Å; P143-S147 PolarHBondContact O-OG 3.22Å; R144-S147 WeakPolarHBondContact O-CB 3.41Å; R144-S147 PolarHBondContact O-N 3.15Å; R144-S147 VanDerWaalsContact O-N 3.09Å; I145-S147 VanDerWaalsContact C-N 3.31Å; I145-S147 PolarHBondContact O-N 3.48Å; S147-V149 PolarHBondContact O-N 3.32Å; S147-S150 PolarHBondContact O-N 3.45Å; S147-L151 WeakPolarHBondContact O-CB 3.46Å; S147-L151 PolarHBondContact O-N 2.98Å
148	C	93.4	Very high	91.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-57.4	-48.5	176.3	-64.4	0	0	0	0	111.5	I28 R144 I145 A152 Y166	I28-C148 HydrophobicContact CG2-CB 4.41Å; R144-C148 PolarHBondContact O-N 3.43Å; R144-C148 PolarHBondContact O-SG 2.96Å; R144-C148 VanDerWaalsContact O-SG 3.39Å; I145-C148 PolarHBondContact O-N 2.88Å; C148-A152 WeakPolarHBondContact O-CB 3.24Å; C148-A152 PolarHBondContact O-N 3.44Å; C148-Y166 HydrophobicContact CB-CE1 4Å; C148-Y166 WeakPolarHBondContact CB-OH 3.32Å; C148-Y166 PolarHBondContact SG-OH 3.31Å; C148-Y166 VanDerWaalsContact SG-OH 3.37Å
149	V	90.8	Very high	91.2	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	10%	0.096	C	C	.	.	H	α-helix	trans	-68.9	-40	-176.4	170.4	0	0	0	0	111.8	I145 S147 T153 I159 Y166 I169 P319	I145-V149 HydrophobicContact CG2-CG2 4.17Å; I145-V149 VanDerWaalsContact O-CB 3.28Å; I145-V149 WeakPolarHBondContact O-CB 3.3Å; I145-V149 WeakPolarHBondContact O-CG2 3.31Å; I145-V149 PolarHBondContact O-N 3.03Å; S147-V149 PolarHBondContact O-N 3.32Å; V149-T153 VanDerWaalsContact O-CB 3.24Å; V149-T153 WeakPolarHBondContact O-CB 3.31Å; V149-T153 PolarHBondContact O-N 3.09Å; V149-T153 PolarHBondContact O-OG1 2.96Å; V149-I159 HydrophobicContact CG2-CD1 3.95Å; V149-Y166 HydrophobicContact CG2-CD1 4.06Å; V149-Y166 HydrophobicContact CG2-CE1 3.9Å; V149-I169 HydrophobicContact CB-CD1 4.45Å; V149-I169 HydrophobicContact CG1-CD1 4.36Å; V149-I169 HydrophobicContact CG1-CG2 3.7Å; V149-I169 HydrophobicContact CG2-CD1 3.42Å; V149-I169 VanDerWaalsContact CG2-CD1 3.42Å; V149-I169 HydrophobicContact CG2-CG2 4.17Å; V149-P319 HydrophobicContact CG1-CB 3.96Å
150	S	89.6	Confident	91.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-66.5	-45.9	177.4	-62.3	0	0	0	0	111.8	R146 S147 T153 Y154 D320 G324	R146-S150 WeakPolarHBondContact O-CB 3.47Å; R146-S150 PolarHBondContact O-N 2.88Å; R146-S150 PolarHBondContact O-OG 3.45Å; S147-S150 PolarHBondContact O-N 3.45Å; S150-T153 PolarHBondContact O-N 2.84Å; S150-Y154 WeakPolarHBondContact O-CB 3.48Å; S150-Y154 PolarHBondContact O-N 3Å; S150-D320 VanDerWaalsContact CB-O 3.29Å; S150-D320 WeakPolarHBondContact CB-O 3.38Å; S150-D320 PolarHBondContact OG-N 3.28Å; S150-G324 WeakPolarHBondContact O-CA 3.44Å
151	L	92.8	Very high	91.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-67.5	-46	178.2	-175.4	64.9	0	0	0	111.8	I28 L76 S147 T153 Y154 L155 G324 L327 L331	I28-L151 HydrophobicContact CD1-CD2 3.81Å; I28-L151 HydrophobicContact CD1-CG 4.11Å; L76-L151 HydrophobicContact CD1-CB 3.92Å; L76-L151 HydrophobicContact CD1-CD2 3.61Å; L76-L151 HydrophobicContact CD1-CG 4.4Å; L76-L151 HydrophobicContact CD2-CD2 4.32Å; L76-L151 HydrophobicContact CG-CD2 4.12Å; S147-L151 WeakPolarHBondContact O-CB 3.46Å; S147-L151 PolarHBondContact O-N 2.98Å; L151-T153 VanDerWaalsContact C-N 3.28Å; L151-T153 PolarHBondContact O-N 3.43Å; L151-Y154 PolarHBondContact O-N 3.39Å; L151-L155 HydrophobicContact CD1-CD1 3.68Å; L151-L155 HydrophobicContact CD1-CG 3.94Å; L151-L155 HydrophobicContact CD2-CD1 4.43Å; L151-L155 HydrophobicContact CG-CD1 3.89Å; L151-L155 HydrophobicContact CG-CG 4.37Å; L151-L155 WeakPolarHBondContact O-CB 3.28Å; L151-L155 PolarHBondContact O-N 3.21Å; L151-G324 WeakPolarHBondContact CD1-O 3.21Å; L151-L327 HydrophobicContact CB-CB 4.47Å; L151-L327 HydrophobicContact CB-CD1 4.47Å; L151-L327 HydrophobicContact CD1-CB 4.12Å; L151-L331 HydrophobicContact CD2-CD2 3.81Å
152	A	92.9	Very high	91.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-58.8	-38.4	176.3	0	0	0	0	0	112.7	I28 C148 H156 H157 I159 P180	I28-A152 HydrophobicContact CB-CB 4.41Å; I28-A152 HydrophobicContact CG1-CB 3.98Å; C148-A152 WeakPolarHBondContact O-CB 3.24Å; C148-A152 PolarHBondContact O-N 3.44Å; A152-H156 VanDerWaalsContact O-CA 3.31Å; A152-H156 WeakPolarHBondContact O-CA 3.38Å; A152-H156 PolarHBondContact O-N 3.37Å; A152-H157 WeakPolarHBondContact CB-O 3.07Å; A152-H157 PolarHBondContact O-N 3.42Å; A152-I159 HydrophobicContact CB-CD1 3.72Å; A152-I159 HydrophobicContact CB-CG1 3.44Å; A152-I159 VanDerWaalsContact CB-CG1 3.44Å; A152-P180 HydrophobicContact CB-CB 3.84Å; A152-P180 HydrophobicContact CB-CG 3.96Å
153	T	89.5	Confident	91.5	Very high	28 Å²	28	22 Å²	22	17%	0.172	11%	0.108	C	C	.	.	H	α-helix	trans	-72.2	-37.3	176.7	-53.8	0	0	0	0	112.2	V149 S150 L151 H156 P319 L321	V149-T153 VanDerWaalsContact O-CB 3.24Å; V149-T153 WeakPolarHBondContact O-CB 3.31Å; V149-T153 PolarHBondContact O-N 3.09Å; V149-T153 PolarHBondContact O-OG1 2.96Å; S150-T153 PolarHBondContact O-N 2.84Å; L151-T153 VanDerWaalsContact C-N 3.28Å; L151-T153 PolarHBondContact O-N 3.43Å; T153-H156 PolarHBondContact O-ND1 3.48Å; T153-P319 HydrophobicContact CG2-CB 3.94Å; T153-P319 HydrophobicContact CG2-CG 4.24Å; T153-P319 WeakPolarHBondContact OG1-CB 3.3Å; T153-L321 HydrophobicContact CG2-CD2 4.15Å
154	Y	89.8	Confident	91.5	Very high	84 Å²	84	22.5 Å²	22.5	33%	0.329	11%	0.111	S	C	.	.	H	α-helix	trans	-71.1	-35.8	177.7	174.8	-97.4	0	0	0	112.9	S150 L151 Q325	S150-Y154 WeakPolarHBondContact O-CB 3.48Å; S150-Y154 PolarHBondContact O-N 3Å; L151-Y154 PolarHBondContact O-N 3.39Å; Y154-Q325 HydrophobicContact CD2-CB 4.05Å; Y154-Q325 HydrophobicContact CE1-CB 4.38Å; Y154-Q325 HydrophobicContact CE2-CB 3.61Å; Y154-Q325 HydrophobicContact CE2-CG 4Å
155	L	91.7	Very high	91.4	Very high	35 Å²	35	20.4 Å²	20.4	18%	0.183	10%	0.103	C	C	.	.	H	α-helix	trans	-93.4	-8.4	180	-65.4	-177.3	0	0	0	114.3	I28 L151 H157	I28-L155 HydrophobicContact CD1-CD1 4.44Å; L151-L155 HydrophobicContact CD1-CD1 3.68Å; L151-L155 HydrophobicContact CD1-CG 3.94Å; L151-L155 HydrophobicContact CD2-CD1 4.43Å; L151-L155 HydrophobicContact CG-CD1 3.89Å; L151-L155 HydrophobicContact CG-CG 4.37Å; L151-L155 WeakPolarHBondContact O-CB 3.28Å; L151-L155 PolarHBondContact O-N 3.21Å; L155-H157 VanDerWaalsContact C-N 3.32Å; L155-H157 HydrophobicContact CB-CB 4.36Å; L155-H157 PolarHBondContact O-CE1 3.48Å; L155-H157 PolarHBondContact O-N 2.8Å; L155-H157 PolarHBondContact O-ND1 3.37Å
156	H	90.4	Very high	91.4	Very high	114 Å²	114	19.5 Å²	19.5	53%	0.528	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	44.3	-170	-49.7	-64.1	0	0	0	112.7	A152 T153 T178	A152-H156 VanDerWaalsContact O-CA 3.31Å; A152-H156 WeakPolarHBondContact O-CA 3.38Å; A152-H156 PolarHBondContact O-N 3.37Å; T153-H156 PolarHBondContact O-ND1 3.48Å; H156-T178 PolarHBondContact ND1-O 3.21Å
157	H	92.9	Very high	91.3	Very high	36 Å²	36	19.2 Å²	19.2	17%	0.167	10%	0.098	C	C	.	.			trans	-110.8	136.3	-178.1	-69.5	8.4	0	0	0	111	P26 I28 A152 L155 P180	P26-H157 WeakPolarHBondContact CB-NE2 3.31Å; P26-H157 WeakPolarHBondContact CG-CE1 3.31Å; P26-H157 WeakPolarHBondContact CG-NE2 3.44Å; I28-H157 HydrophobicContact CD1-CB 4.33Å; I28-H157 HydrophobicContact CG1-CB 3.93Å; A152-H157 WeakPolarHBondContact CB-O 3.07Å; A152-H157 PolarHBondContact O-N 3.42Å; L155-H157 VanDerWaalsContact C-N 3.32Å; L155-H157 HydrophobicContact CB-CB 4.36Å; L155-H157 PolarHBondContact O-CE1 3.48Å; L155-H157 PolarHBondContact O-N 2.8Å; L155-H157 PolarHBondContact O-ND1 3.37Å; H157-P180 WeakPolarHBondContact O-CB 3.3Å
158	P	93.5	Very high	91	Very high	20 Å²	20	19.6 Å²	19.6	13%	0.13	10%	0.1	C	C	.	.			trans	-65.1	152.4	177.7	31.4	-38.7	0	0	0	112.1	P26 V27 I28 C181 I183	P26-P158 WeakPolarHBondContact O-CD 3.49Å; V27-P158 HydrophobicContact CB-CG 4.29Å; V27-P158 HydrophobicContact CG1-CG 3.8Å; I28-P158 PolarHBondContact N-O 2.96Å; P158-C181 CarbonylContact C-O 3.06Å; P158-C181 VanDerWaalsContact CA-O 3.28Å; P158-C181 WeakPolarHBondContact CA-O 3.3Å; P158-C181 WeakPolarHBondContact CB-O 3.37Å; P158-I183 HydrophobicContact CB-CD1 4.27Å
159	I	95.2	Very high	90.4	Very high	6 Å²	6	21.2 Å²	21.2	3%	0.031	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	128.5	-179.8	-57.8	172.9	0	0	0	109.7	I28 V149 A152 A161 Y166 C181 F182 I183	I28-I159 CarbonylContact O-C 3.57Å; I28-I159 WeakPolarHBondContact O-CA 3.37Å; V149-I159 HydrophobicContact CG2-CD1 3.95Å; A152-I159 HydrophobicContact CB-CD1 3.72Å; A152-I159 HydrophobicContact CB-CG1 3.44Å; A152-I159 VanDerWaalsContact CB-CG1 3.44Å; I159-A161 HydrophobicContact CG2-CB 4.25Å; I159-Y166 HydrophobicContact CD1-CD1 4.14Å; I159-Y166 HydrophobicContact CD1-CE1 4.22Å; I159-Y166 HydrophobicContact CG2-CD1 3.95Å; I159-Y166 HydrophobicContact CG2-CE1 3.8Å; I159-C181 PolarHBondContact N-O 3.35Å; I159-F182 HydrophobicContact CB-CD2 4.46Å; I159-F182 HydrophobicContact CG2-CD2 4.39Å; I159-F182 WeakPolarHBondContact O-CD2 3.34Å; I159-I183 PolarHBondContact O-N 3.47Å
160	I	95.9	Very high	89.2	Confident	2 Å²	2	22 Å²	22	1%	0.01	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	116.7	171	-52.9	-179.4	0	0	0	108.9	L22 V27 I28 I29 D30 I183 L185 M188	L22-I160 HydrophobicContact CD2-CD1 4.3Å; V27-I160 HydrophobicContact CB-CD1 4.08Å; V27-I160 HydrophobicContact CB-CG1 4.45Å; V27-I160 HydrophobicContact CG1-CD1 4.36Å; V27-I160 HydrophobicContact CG2-CD1 3.81Å; I28-I160 PolarHBondContact O-N 2.74Å; I29-I160 WeakPolarHBondContact CA-O 3.42Å; I29-I160 HydrophobicContact CD1-CD1 4.26Å; I29-I160 HydrophobicContact CG1-CB 4.16Å; I29-I160 HydrophobicContact CG1-CD1 4.38Å; D30-I160 PolarHBondContact N-O 2.66Å; I160-I183 WeakPolarHBondContact CA-O 3.31Å; I160-I183 HydrophobicContact CG1-CB 4.25Å; I160-I183 HydrophobicContact CG1-CD1 4.45Å; I160-L185 HydrophobicContact CG2-CD2 3.48Å; I160-L185 VanDerWaalsContact CG2-CD2 3.48Å; I160-L185 HydrophobicContact CG2-CG 3.8Å; I160-M188 HydrophobicContact CG2-SD 4.4Å
161	A	95.4	Very high	87.2	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	-176.5	-176.4	0	0	0	0	0	112.7	D30 I159 Y166 F182 I183 P184 L185	D30-A161 HydrophobicContact CB-CB 3.62Å; I159-A161 HydrophobicContact CG2-CB 4.25Å; A161-Y166 HydrophobicContact CB-CD2 3.53Å; A161-Y166 HydrophobicContact CB-CE2 3.27Å; A161-Y166 HydrophobicContact CB-CG 4.4Å; A161-F182 HydrophobicContact CB-CE2 3.91Å; A161-I183 PolarHBondContact N-O 2.97Å; A161-P184 CarbonylContact O-C 3.54Å; A161-P184 WeakPolarHBondContact O-CA 3.29Å; A161-L185 PolarHBondContact O-N 3.49Å
162	S	92.1	Very high	84.7	Confident	36 Å²	36	28.8 Å²	28.8	25%	0.252	15%	0.149	S	C	.	.			trans	-118.4	-21.1	178.5	-68.5	0	0	0	0	114.2	D33	D33-S162 PolarHBondContact OD2-N 2.92Å
163	S	90	Very high	82.2	Confident	11 Å²	11	31.6 Å²	31.6	8%	0.077	16%	0.163	C	C	.	.			trans	-68.6	133.9	-168.2	-66	0	0	0	0	113	D33 R144 E165 Y166	D33-S163 PolarHBondContact OD1-OG 3.45Å; D33-S163 VanDerWaalsContact OD2-CB 3.31Å; D33-S163 WeakPolarHBondContact OD2-CB 3.34Å; D33-S163 PolarHBondContact OD2-N 3.25Å; D33-S163 PolarHBondContact OD2-OG 3.03Å; R144-S163 PolarHBondContact NH2-OG 3.33Å; S163-E165 PolarHBondContact O-N 2.93Å; S163-E165 VanDerWaalsContact O-N 3.13Å; S163-Y166 PolarHBondContact O-N 2.91Å
164	P	87.2	Confident	79.9	Confident	16 Å²	16	37.9 Å²	37.9	10%	0.104	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-58.2	-26.1	177	14	-22.7	0	0	0	113.9	I3 L6 S7 Y166 F167	I3-P164 HydrophobicContact CB-CB 4.42Å; I3-P164 HydrophobicContact CB-CG 4.33Å; L6-P164 HydrophobicContact CB-CB 3.85Å; L6-P164 HydrophobicContact CD2-CB 4.06Å; L6-P164 HydrophobicContact CG-CB 4.1Å; S7-P164 WeakPolarHBondContact OG-CB 3.46Å; P164-Y166 PolarHBondContact O-N 3.11Å; P164-F167 WeakPolarHBondContact O-CB 3.16Å; P164-F167 WeakPolarHBondContact O-CD2 3.23Å; P164-F167 PolarHBondContact O-N 3.43Å
165	E	86.9	Confident	77.7	Confident	5 Å²	5	40.1 Å²	40.1	2%	0.023	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-53	-38	177.4	-67.6	92.6	119.5	0	0	113.2	M1 I3 I145 S163 F167 L168 Y317	M1-E165 VanDerWaalsContact CA-OE1 3.23Å; M1-E165 WeakPolarHBondContact CA-OE1 3.22Å; M1-E165 HydrophobicContact CB-CG 4.36Å; M1-E165 PolarHBondContact N-OE1 3.47Å; M1-E165 VanDerWaalsContact O-OE1 3.09Å; I3-E165 HydrophobicContact CD1-CG 4.24Å; I3-E165 HydrophobicContact CG1-CG 4.33Å; I145-E165 HydrophobicContact CD1-CB 4.26Å; I145-E165 HydrophobicContact CG1-CB 4.29Å; I145-E165 HydrophobicContact CG2-CB 4.33Å; S163-E165 PolarHBondContact O-N 2.93Å; S163-E165 VanDerWaalsContact O-N 3.13Å; E165-F167 VanDerWaalsContact C-N 3.28Å; E165-F167 PolarHBondContact O-N 3.29Å; E165-L168 WeakPolarHBondContact O-CB 3.48Å; E165-L168 PolarHBondContact O-N 3.26Å; E165-L168 VanDerWaalsContact O-N 3.08Å; E165-Y317 HydrophobicContact CB-CE1 3.82Å; E165-Y317 HydrophobicContact CG-CE1 3.83Å
166	Y	90	Very high	75.2	Confident	3 Å²	3	41.2 Å²	41.2	1%	0.012	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-65.5	-27.1	-178.1	-68.2	-72.8	0	0	0	113.3	D30 I145 C148 V149 I159 A161 S163 P164 L168 I169 F182	D30-Y166 HydrophobicContact CB-CE2 4.45Å; D30-Y166 PolarHBondContact OD2-OH 2.81Å; I145-Y166 HydrophobicContact CD1-CD2 4.27Å; I145-Y166 HydrophobicContact CD1-CE1 4.26Å; I145-Y166 HydrophobicContact CD1-CE2 3.54Å; I145-Y166 HydrophobicContact CG2-CD1 4.45Å; I145-Y166 HydrophobicContact CG2-CE1 4.12Å; C148-Y166 HydrophobicContact CB-CE1 4Å; C148-Y166 WeakPolarHBondContact CB-OH 3.32Å; C148-Y166 PolarHBondContact SG-OH 3.31Å; C148-Y166 VanDerWaalsContact SG-OH 3.37Å; V149-Y166 HydrophobicContact CG2-CD1 4.06Å; V149-Y166 HydrophobicContact CG2-CE1 3.9Å; I159-Y166 HydrophobicContact CD1-CD1 4.14Å; I159-Y166 HydrophobicContact CD1-CE1 4.22Å; I159-Y166 HydrophobicContact CG2-CD1 3.95Å; I159-Y166 HydrophobicContact CG2-CE1 3.8Å; A161-Y166 HydrophobicContact CB-CD2 3.53Å; A161-Y166 HydrophobicContact CB-CE2 3.27Å; A161-Y166 HydrophobicContact CB-CG 4.4Å; S163-Y166 PolarHBondContact O-N 2.91Å; P164-Y166 PolarHBondContact O-N 3.11Å; Y166-L168 PolarHBondContact O-N 3.46Å; Y166-I169 HydrophobicContact CD1-CD1 4.47Å; Y166-I169 PolarHBondContact O-N 2.96Å; Y166-F182 HydrophobicContact CD2-CE2 4.21Å; Y166-F182 HydrophobicContact CD2-CZ 4.39Å; Y166-F182 HydrophobicContact CG-CD2 4.25Å; Y166-F182 HydrophobicContact CG-CE2 4.14Å; Y166-F182 HydrophobicContact CG-CZ 4.4Å
167	F	86.6	Confident	73.2	Confident	6 Å²	6	45.7 Å²	45.7	3%	0.026	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-65.9	-20.2	174.2	-64.6	-64	0	0	0	113.7	L10 L11 F17 P164 E165 I169 F182 P184 F223	L10-F167 HydrophobicContact CD1-CB 3.38Å; L10-F167 HydrophobicContact CD1-CD1 4.23Å; L10-F167 HydrophobicContact CD1-CD2 3.9Å; L10-F167 HydrophobicContact CD1-CG 3.61Å; L11-F167 HydrophobicContact CD2-CZ 3.89Å; L11-F167 HydrophobicContact CG-CZ 4.15Å; F17-F167 HydrophobicContact CE1-CE1 4.12Å; F17-F167 AromaticContact CZ-CE1 3.86Å; F17-F167 HydrophobicContact CZ-CE1 3.86Å; F17-F167 HydrophobicContact CZ-CZ 4.4Å; P164-F167 WeakPolarHBondContact O-CB 3.16Å; P164-F167 WeakPolarHBondContact O-CD2 3.23Å; P164-F167 PolarHBondContact O-N 3.43Å; E165-F167 VanDerWaalsContact C-N 3.28Å; E165-F167 PolarHBondContact O-N 3.29Å; F167-I169 VanDerWaalsContact C-N 3.31Å; F167-F182 AromaticContact CD1-CD1 3.7Å; F167-F182 HydrophobicContact CD1-CD1 3.7Å; F167-F182 AromaticContact CD1-CE1 3.59Å; F167-F182 HydrophobicContact CD1-CE1 3.59Å; F167-F182 HydrophobicContact CD2-CE1 4.18Å; F167-F182 AromaticContact CE1-CD1 3.87Å; F167-F182 HydrophobicContact CE1-CD1 3.87Å; F167-F182 AromaticContact CE1-CE1 3.48Å; F167-F182 HydrophobicContact CE1-CE1 3.48Å; F167-F182 VanDerWaalsContact CE1-CE1 3.48Å; F167-F182 HydrophobicContact CE2-CE1 4.07Å; F167-F182 HydrophobicContact CG-CD1 4.27Å; F167-F182 AromaticContact CG-CE1 3.94Å; F167-F182 HydrophobicContact CG-CE1 3.94Å; F167-F182 AromaticContact CZ-CE1 3.73Å; F167-F182 HydrophobicContact CZ-CE1 3.73Å; F167-P184 HydrophobicContact CE1-CG 3.79Å; F167-P184 HydrophobicContact CZ-CB 4.47Å; F167-P184 HydrophobicContact CZ-CG 3.82Å; F167-F223 HydrophobicContact CB-CE1 4.09Å; F167-F223 HydrophobicContact CB-CZ 4.05Å; F167-F223 HydrophobicContact CD1-CB 4.21Å; F167-F223 AromaticContact CD1-CD1 3.81Å; F167-F223 HydrophobicContact CD1-CD1 3.81Å; F167-F223 AromaticContact CD1-CD2 3.48Å; F167-F223 HydrophobicContact CD1-CD2 3.48Å; F167-F223 VanDerWaalsContact CD1-CD2 3.48Å; F167-F223 AromaticContact CD1-CE1 3.94Å; F167-F223 HydrophobicContact CD1-CE1 3.94Å; F167-F223 AromaticContact CD1-CE2 3.61Å; F167-F223 HydrophobicContact CD1-CE2 3.61Å; F167-F223 AromaticContact CD1-CG 3.57Å; F167-F223 HydrophobicContact CD1-CG 3.57Å; F167-F223 AromaticContact CD1-CZ 3.83Å; F167-F223 HydrophobicContact CD1-CZ 3.83Å; F167-F223 HydrophobicContact CE1-CB 4.22Å; F167-F223 AromaticContact CE1-CD2 3.77Å; F167-F223 HydrophobicContact CE1-CD2 3.77Å; F167-F223 HydrophobicContact CE1-CE2 4.22Å; F167-F223 AromaticContact CE1-CG 3.97Å; F167-F223 HydrophobicContact CE1-CG 3.97Å; F167-F223 HydrophobicContact CG-CE2 4.47Å; F167-F223 HydrophobicContact CG-CZ 4.4Å; F167-F223 VanDerWaalsContact O-CE1 3.28Å; F167-F223 WeakPolarHBondContact O-CE1 3.15Å
168	L	84.6	Confident	71.4	Confident	8 Å²	8	46.8 Å²	46.8	4%	0.042	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-86.1	-7.8	-179.2	-57.3	179.3	0	0	0	112.8	I3 L6 E165 Y166 G170 R235 P236 Y317	I3-L168 HydrophobicContact CD1-CD1 3.42Å; I3-L168 VanDerWaalsContact CD1-CD1 3.42Å; L6-L168 HydrophobicContact CD2-CD1 3.95Å; L6-L168 HydrophobicContact CD2-CD2 3.8Å; L6-L168 HydrophobicContact CD2-CG 3.89Å; E165-L168 WeakPolarHBondContact O-CB 3.48Å; E165-L168 PolarHBondContact O-N 3.26Å; E165-L168 VanDerWaalsContact O-N 3.08Å; Y166-L168 PolarHBondContact O-N 3.46Å; L168-G170 PolarHBondContact O-N 2.88Å; L168-R235 WeakPolarHBondContact O-CB 3.29Å; L168-P236 HydrophobicContact CB-CG 4.5Å; L168-P236 WeakPolarHBondContact O-CD 3.39Å; L168-Y317 HydrophobicContact CD1-CE1 4.13Å
169	I	80.5	Confident	70.1	Confident	34 Å²	34	47.4 Å²	47.4	17%	0.174	27%	0.266	C	S	.	.	S	Bend	trans	-98.3	100.8	-170.9	-57.6	-177.1	0	0	0	107	I145 V149 Y166 F167 Y317	I145-I169 HydrophobicContact CG2-CD1 3.68Å; V149-I169 HydrophobicContact CB-CD1 4.45Å; V149-I169 HydrophobicContact CG1-CD1 4.36Å; V149-I169 HydrophobicContact CG1-CG2 3.7Å; V149-I169 HydrophobicContact CG2-CD1 3.42Å; V149-I169 VanDerWaalsContact CG2-CD1 3.42Å; V149-I169 HydrophobicContact CG2-CG2 4.17Å; Y166-I169 HydrophobicContact CD1-CD1 4.47Å; Y166-I169 PolarHBondContact O-N 2.96Å; F167-I169 VanDerWaalsContact C-N 3.31Å; I169-Y317 HydrophobicContact CD1-CD1 4.4Å; I169-Y317 HydrophobicContact CG1-CD1 4.35Å
170	G	64.8	Low	69	Low	17 Å²	17	48.1 Å²	48.1	18%	0.175	27%	0.271	C	S	.	.			trans	-88.4	123.4	-160.4	0	0	0	0	0	114.9	L168 H172	L168-G170 PolarHBondContact O-N 2.88Å; G170-H172 PolarHBondContact O-N 3.03Å
171	T	49.1	Very low	68.6	Low	26 Å²	26	49.4 Å²	49.4	16%	0.16	28%	0.279	C	S	.	.	S	Bend	trans	-64.9	10.3	177.7	45.3	0	0	0	0	116.9	S179 P180	T171-S179 VanDerWaalsContact CA-CB 3.45Å; T171-S179 VanDerWaalsContact O-CB 3.27Å; T171-S179 WeakPolarHBondContact O-CB 3.44Å; T171-S179 PolarHBondContact O-OG 3.46Å; T171-P180 WeakPolarHBondContact CG2-O 3.16Å
172	H	40.5	Very low	68.4	Low	117 Å²	117	49.8 Å²	49.8	54%	0.542	28%	0.281	S	S	.	.			trans	-129.3	45.4	-176.3	-69.2	-63	0	0	0	111.8	G170 P232	G170-H172 PolarHBondContact O-N 3.03Å; H172-P232 HydrophobicContact CB-CG 3.91Å
173	Q	40.1	Very low	68.5	Low	60 Å²	60	48.1 Å²	48.1	28%	0.28	27%	0.27	S	S	.	.	S	Bend	trans	-100.1	141.6	153.6	-69	-163	74.5	0	0	108.9	P232 K233	Q173-P232 HydrophobicContact CG-CB 4.33Å; Q173-K233 HydrophobicContact CG-CG 4.4Å
174	M	39.9	Very low	68.7	Low	159 Å²	159	47.7 Å²	47.7	78%	0.783	27%	0.267	S	S	*	.	S	Bend	trans	65.9	151.7	-166.7	-52.8	-79.6	75.2	0	0	114.1	S176	M174-S176 VanDerWaalsContact C-N 3.27Å; M174-S176 PolarHBondContact O-N 3.46Å
175	S	43.7	Very low	69	Low	131 Å²	131	47 Å²	47	92%	0.916	26%	0.262	S	S	*	.	S	Bend	trans	-90.8	50.6	-172.9	55.3	0	0	0	0	111.8
176	S	40.9	Very low	69.2	Low	58 Å²	58	49.5 Å²	49.5	41%	0.406	28%	0.28	S	S	.	.	S	Bend	trans	-151.2	153.7	-173.2	52.1	0	0	0	0	111.6	M174 T178	M174-S176 VanDerWaalsContact C-N 3.27Å; M174-S176 PolarHBondContact O-N 3.46Å; S176-T178 PolarHBondContact O-N 2.82Å; S176-T178 PolarHBondContact OG-OG1 3.44Å
177	E	48.3	Very low	69.3	Low	208 Å²	208	51.2 Å²	51.2	97%	0.972	29%	0.289	S	S	*	.	S	Bend	trans	-75.8	26.5	-174.1	-58.5	171.3	131.5	0	0	113.1
178	T	54.5	Low	69.6	Low	60 Å²	60	51.5 Å²	51.5	37%	0.368	29%	0.291	S	S	.	.			trans	-110.9	3.8	-156.8	55	0	0	0	0	114.2	H156 S176	H156-T178 PolarHBondContact ND1-O 3.21Å; S176-T178 PolarHBondContact O-N 2.82Å; S176-T178 PolarHBondContact OG-OG1 3.44Å
179	S	65.7	Low	69.8	Low	33 Å²	33	54.6 Å²	54.6	23%	0.231	30%	0.304	C	S	.	.	S	Bend	trans	-83.9	138.3	176.9	-69.4	0	0	0	0	111.5	T171 C181	T171-S179 VanDerWaalsContact CA-CB 3.45Å; T171-S179 VanDerWaalsContact O-CB 3.27Å; T171-S179 WeakPolarHBondContact O-CB 3.44Å; T171-S179 PolarHBondContact O-OG 3.46Å; S179-C181 PolarHBondContact O-N 2.88Å
180	P	73.3	Confident	70.1	Confident	20 Å²	20	55.3 Å²	55.3	13%	0.13	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-68.3	122.8	-178.1	29.5	-36.4	0	0	0	111.4	A152 H157 T171	A152-P180 HydrophobicContact CB-CB 3.84Å; A152-P180 HydrophobicContact CB-CG 3.96Å; H157-P180 WeakPolarHBondContact O-CB 3.3Å; T171-P180 WeakPolarHBondContact CG2-O 3.16Å
181	C	85.9	Confident	71.3	Confident	29 Å²	29	59.8 Å²	59.8	20%	0.196	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-74.1	154.6	174.3	71.8	0	0	0	0	111.5	P158 I159 S179	P158-C181 CarbonylContact C-O 3.06Å; P158-C181 VanDerWaalsContact CA-O 3.28Å; P158-C181 WeakPolarHBondContact CA-O 3.3Å; P158-C181 WeakPolarHBondContact CB-O 3.37Å; I159-C181 PolarHBondContact N-O 3.35Å; S179-C181 PolarHBondContact O-N 2.88Å
182	F	92	Very high	73.3	Confident	9 Å²	9	59.3 Å²	59.3	4%	0.039	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	132.1	179.3	171.2	-134.3	0	0	0	110.5	I159 A161 Y166 F167 P184 F223	I159-F182 HydrophobicContact CB-CD2 4.46Å; I159-F182 HydrophobicContact CG2-CD2 4.39Å; I159-F182 WeakPolarHBondContact O-CD2 3.34Å; A161-F182 HydrophobicContact CB-CE2 3.91Å; Y166-F182 HydrophobicContact CD2-CE2 4.21Å; Y166-F182 HydrophobicContact CD2-CZ 4.39Å; Y166-F182 HydrophobicContact CG-CD2 4.25Å; Y166-F182 HydrophobicContact CG-CE2 4.14Å; Y166-F182 HydrophobicContact CG-CZ 4.4Å; F167-F182 AromaticContact CD1-CD1 3.7Å; F167-F182 HydrophobicContact CD1-CD1 3.7Å; F167-F182 AromaticContact CD1-CE1 3.59Å; F167-F182 HydrophobicContact CD1-CE1 3.59Å; F167-F182 HydrophobicContact CD2-CE1 4.18Å; F167-F182 AromaticContact CE1-CD1 3.87Å; F167-F182 HydrophobicContact CE1-CD1 3.87Å; F167-F182 AromaticContact CE1-CE1 3.48Å; F167-F182 HydrophobicContact CE1-CE1 3.48Å; F167-F182 VanDerWaalsContact CE1-CE1 3.48Å; F167-F182 HydrophobicContact CE2-CE1 4.07Å; F167-F182 HydrophobicContact CG-CD1 4.27Å; F167-F182 AromaticContact CG-CE1 3.94Å; F167-F182 HydrophobicContact CG-CE1 3.94Å; F167-F182 AromaticContact CZ-CE1 3.73Å; F167-F182 HydrophobicContact CZ-CE1 3.73Å; F182-P184 HydrophobicContact CD1-CG 4.39Å; F182-P184 HydrophobicContact CE1-CG 3.89Å; F182-P184 HydrophobicContact CZ-CB 4.24Å; F182-P184 HydrophobicContact CZ-CG 4.01Å; F182-F223 HydrophobicContact CB-CB 4.37Å; F182-F223 HydrophobicContact CD1-CB 4.17Å; F182-F223 WeakPolarHBondContact O-CB 3.38Å; F182-F223 PolarHBondContact O-N 3.12Å
183	I	93.9	Very high	75.7	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	108.7	178.1	-62.2	169	0	0	0	108.1	L22 P158 I159 I160 A161 L185 V220 E222	L22-I183 HydrophobicContact CD2-CD1 4.22Å; P158-I183 HydrophobicContact CB-CD1 4.27Å; I159-I183 PolarHBondContact O-N 3.47Å; I160-I183 WeakPolarHBondContact CA-O 3.31Å; I160-I183 HydrophobicContact CG1-CB 4.25Å; I160-I183 HydrophobicContact CG1-CD1 4.45Å; A161-I183 PolarHBondContact N-O 2.97Å; I183-L185 PolarHBondContact O-N 3.44Å; I183-V220 HydrophobicContact CD1-CB 4.42Å; I183-V220 HydrophobicContact CD1-CG2 4.15Å; I183-V220 HydrophobicContact CG2-CB 3.86Å; I183-V220 HydrophobicContact CG2-CG1 4.01Å; I183-E222 HydrophobicContact CG1-CG 4.18Å
184	P	93.8	Very high	78	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.013	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	127.5	174.9	-20.2	33.2	0	0	0	111.4	L11 F17 A161 F167 F182 S186 L187 H221	L11-P184 HydrophobicContact CD2-CB 4.32Å; L11-P184 HydrophobicContact CD2-CG 4.33Å; F17-P184 HydrophobicContact CE1-CG 3.96Å; A161-P184 CarbonylContact O-C 3.54Å; A161-P184 WeakPolarHBondContact O-CA 3.29Å; F167-P184 HydrophobicContact CE1-CG 3.79Å; F167-P184 HydrophobicContact CZ-CB 4.47Å; F167-P184 HydrophobicContact CZ-CG 3.82Å; F182-P184 HydrophobicContact CD1-CG 4.39Å; F182-P184 HydrophobicContact CE1-CG 3.89Å; F182-P184 HydrophobicContact CZ-CB 4.24Å; F182-P184 HydrophobicContact CZ-CG 4.01Å; P184-S186 PolarHBondContact O-N 3.16Å; P184-S186 VanDerWaalsContact O-N 3.1Å; P184-L187 HydrophobicContact CB-CD1 4.48Å; P184-L187 HydrophobicContact CB-CG 4.3Å; P184-L187 HydrophobicContact CG-CD1 4.25Å; P184-L187 PolarHBondContact O-N 2.83Å; P184-H221 WeakPolarHBondContact CD-O 3.41Å
185	L	93.7	Very high	80.1	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-52.7	-32.8	174.5	-79.9	166.4	0	0	0	112.7	F34 Y37 F38 I160 A161 I183 L187 M188 F190	F34-L185 HydrophobicContact CB-CD1 4.33Å; F34-L185 HydrophobicContact CD2-CD1 4.42Å; F34-L185 HydrophobicContact CD2-CD2 4.07Å; Y37-L185 HydrophobicContact CD1-CB 3.95Å; Y37-L185 HydrophobicContact CD1-CD1 4.3Å; Y37-L185 HydrophobicContact CD2-CB 4.15Å; Y37-L185 HydrophobicContact CE1-CB 4.05Å; Y37-L185 HydrophobicContact CE2-CB 4.23Å; Y37-L185 HydrophobicContact CG-CB 4.01Å; Y37-L185 HydrophobicContact CG-CD1 4.2Å; Y37-L185 PolarHBondContact OH-O 2.66Å; Y37-L185 VanDerWaalsContact OH-O 3.13Å; F38-L185 HydrophobicContact CE2-CD2 4.23Å; I160-L185 HydrophobicContact CG2-CD2 3.48Å; I160-L185 VanDerWaalsContact CG2-CD2 3.48Å; I160-L185 HydrophobicContact CG2-CG 3.8Å; A161-L185 PolarHBondContact O-N 3.49Å; I183-L185 PolarHBondContact O-N 3.44Å; L185-L187 PolarHBondContact O-N 3.25Å; L185-M188 PolarHBondContact O-N 2.91Å; L185-F190 VanDerWaalsContact O-CZ 3.31Å; L185-F190 WeakPolarHBondContact O-CZ 3.34Å
186	S	91.5	Very high	81.9	Confident	58 Å²	58	56.3 Å²	56.3	41%	0.406	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-70	-11.6	177.7	57.4	0	0	0	0	115.2	P184	P184-S186 PolarHBondContact O-N 3.16Å; P184-S186 VanDerWaalsContact O-N 3.1Å
187	L	91.9	Very high	83.6	Confident	39 Å²	39	61.4 Å²	61.4	20%	0.204	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-116.1	12.6	178.7	-57.4	-176.7	0	0	0	113.1	L11 F17 P184 L185 H221	L11-L187 HydrophobicContact CD2-CD1 3.64Å; L11-L187 HydrophobicContact CD2-CD2 4.26Å; L11-L187 HydrophobicContact CD2-CG 3.88Å; F17-L187 HydrophobicContact CD1-CD1 3.69Å; F17-L187 HydrophobicContact CD2-CD1 4.46Å; F17-L187 HydrophobicContact CE1-CD1 3.53Å; F17-L187 HydrophobicContact CE2-CD1 4.32Å; F17-L187 HydrophobicContact CG-CD1 4.17Å; F17-L187 HydrophobicContact CZ-CD1 3.87Å; P184-L187 HydrophobicContact CB-CD1 4.48Å; P184-L187 HydrophobicContact CB-CG 4.3Å; P184-L187 HydrophobicContact CG-CD1 4.25Å; P184-L187 PolarHBondContact O-N 2.83Å; L185-L187 PolarHBondContact O-N 3.25Å; L187-H221 HydrophobicContact CB-CB 3.76Å; L187-H221 HydrophobicContact CD1-CB 3.85Å; L187-H221 HydrophobicContact CG-CB 4.47Å; L187-H221 PolarHBondContact O-ND1 3.4Å
188	M	92.3	Very high	84.7	Confident	13 Å²	13	56.4 Å²	56.4	6%	0.064	29%	0.292	C	S	.	.			trans	-94.9	132.6	177.7	-177.4	164.1	-176.1	0	0	110.6	F62 I160 L185 F190 L218 V220	F62-M188 HydrophobicContact CE2-CE 3.99Å; F62-M188 HydrophobicContact CZ-CE 3.75Å; F62-M188 HydrophobicContact CZ-SD 4.41Å; I160-M188 HydrophobicContact CG2-SD 4.4Å; L185-M188 PolarHBondContact O-N 2.91Å; M188-F190 HydrophobicContact CB-CD1 4.33Å; M188-F190 HydrophobicContact CB-CE1 3.72Å; M188-F190 HydrophobicContact CB-CZ 4.22Å; M188-F190 HydrophobicContact CG-CD1 3.87Å; M188-F190 HydrophobicContact CG-CE1 3.62Å; M188-F190 HydrophobicContact SD-CD1 4.34Å; M188-F190 HydrophobicContact SD-CE1 3.9Å; M188-L218 HydrophobicContact CE-CB 4.18Å; M188-L218 HydrophobicContact CE-CD1 3.33Å; M188-L218 HydrophobicContact CE-CG 4.33Å; M188-V220 HydrophobicContact CE-CG1 4.45Å; M188-V220 HydrophobicContact CG-CG1 4.09Å; M188-V220 HydrophobicContact SD-CG1 4.4Å
189	K	90.3	Very high	85.7	Confident	73 Å²	73	53.8 Å²	53.8	32%	0.317	28%	0.277	S	S	.	.			trans	-81.4	121	166.1	-74.5	-163.8	173.5	-166.8	0	108.9	Q191 T219	K189-Q191 PolarHBondContact O-N 3.5Å; K189-Q191 VanDerWaalsContact O-N 3.1Å; K189-T219 PolarHBondContact N-O 2.06Å
190	F	86.3	Confident	85.9	Confident	49 Å²	49	58.7 Å²	58.7	22%	0.215	29%	0.291	C	S	.	.			trans	-86.5	47.1	-179.8	-54.2	-50.6	0	0	0	112.6	Y37 F38 H41 F62 L185 M188	Y37-F190 HydrophobicContact CD1-CZ 4.49Å; Y37-F190 AromaticContact CE1-CE2 3.68Å; Y37-F190 HydrophobicContact CE1-CE2 3.68Å; Y37-F190 AromaticContact CE1-CZ 3.46Å; Y37-F190 HydrophobicContact CE1-CZ 3.46Å; Y37-F190 VanDerWaalsContact CE1-CZ 3.46Å; Y37-F190 AromaticContact CZ-CZ 4Å; F38-F190 HydrophobicContact CE2-CE1 4.24Å; F38-F190 HydrophobicContact CE2-CZ 4.29Å; F38-F190 AromaticContact CZ-CD1 3.98Å; F38-F190 HydrophobicContact CZ-CD1 3.98Å; F38-F190 HydrophobicContact CZ-CD2 4.49Å; F38-F190 AromaticContact CZ-CE1 3.8Å; F38-F190 HydrophobicContact CZ-CE1 3.8Å; F38-F190 HydrophobicContact CZ-CE2 4.34Å; F38-F190 HydrophobicContact CZ-CG 4.33Å; F38-F190 HydrophobicContact CZ-CZ 4.01Å; H41-F190 AromaticContact CE1-CE2 3.73Å; F62-F190 HydrophobicContact CD2-CB 3.92Å; F62-F190 AromaticContact CD2-CD1 3.78Å; F62-F190 HydrophobicContact CD2-CD1 3.78Å; F62-F190 HydrophobicContact CD2-CG 4.16Å; F62-F190 HydrophobicContact CE2-CB 4.25Å; F62-F190 AromaticContact CE2-CD1 3.42Å; F62-F190 HydrophobicContact CE2-CD1 3.42Å; F62-F190 VanDerWaalsContact CE2-CD1 3.42Å; F62-F190 HydrophobicContact CE2-CE1 4.19Å; F62-F190 HydrophobicContact CE2-CG 4.22Å; F62-F190 HydrophobicContact CZ-CD1 4.05Å; F62-F190 HydrophobicContact CZ-CE1 4.39Å; L185-F190 VanDerWaalsContact O-CZ 3.31Å; L185-F190 WeakPolarHBondContact O-CZ 3.34Å; M188-F190 HydrophobicContact CB-CD1 4.33Å; M188-F190 HydrophobicContact CB-CE1 3.72Å; M188-F190 HydrophobicContact CB-CZ 4.22Å; M188-F190 HydrophobicContact CG-CD1 3.87Å; M188-F190 HydrophobicContact CG-CE1 3.62Å; M188-F190 HydrophobicContact SD-CD1 4.34Å; M188-F190 HydrophobicContact SD-CE1 3.9Å
191	Q	89.7	Confident	85.7	Confident	110 Å²	110	58.2 Å²	58.2	51%	0.514	29%	0.288	S	S	.	.	S	Bend	trans	-147.3	122	-178.2	-177.6	-178.3	4.2	0	0	108.3	K189 L193 L218	K189-Q191 PolarHBondContact O-N 3.5Å; K189-Q191 VanDerWaalsContact O-N 3.1Å; Q191-L193 HydrophobicContact CG-CD2 4.16Å; Q191-L218 VanDerWaalsContact C-CD2 3.44Å; Q191-L218 WeakPolarHBondContact O-CD2 3.17Å
192	C	90	Very high	84.4	Confident	16 Å²	16	59.2 Å²	59.2	11%	0.108	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	118.2	-179.4	-165	0	0	0	0	108.6	E65 C69 R216 L218	E65-C192 HydrophobicContact CB-CB 4.15Å; E65-C192 PolarHBondContact O-SG 3.22Å; E65-C192 VanDerWaalsContact O-SG 3.34Å; E65-C192 VanDerWaalsContact OE2-CB 3.23Å; E65-C192 WeakPolarHBondContact OE2-CB 3.47Å; E65-C192 PolarHBondContact OE2-N 3.08Å; C69-C192 VanDerWaalsContact CA-SG 3.59Å; C69-C192 WeakPolarHBondContact CB-SG 3.39Å; C69-C192 PolarHBondContact N-SG 3.16Å; C69-C192 VanDerWaalsContact SG-CA 3.56Å; C69-C192 WeakPolarHBondContact SG-CB 3.37Å; C69-C192 CovalentContact SG-SG 2.05Å; C69-C192 PolarHBondContact SG-SG 3.03Å; C192-R216 WeakPolarHBondContact SG-CB 3.44Å; C192-L218 HydrophobicContact CB-CD2 4Å
193	L	92	Very high	82.9	Confident	53 Å²	53	63.2 Å²	63.2	28%	0.277	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	141.9	-175.2	-61.6	179.6	0	0	0	110.3	Q191 R216 F217	Q191-L193 HydrophobicContact CG-CD2 4.16Å; L193-R216 CarbonylContact O-C 3.39Å; L193-R216 WeakPolarHBondContact O-CA 3.04Å; L193-F217 HydrophobicContact CB-CD1 4.45Å; L193-F217 HydrophobicContact CB-CE1 3.93Å; L193-F217 HydrophobicContact CB-CE2 4.07Å; L193-F217 HydrophobicContact CB-CZ 3.72Å; L193-F217 HydrophobicContact CD1-CE2 4.13Å; L193-F217 HydrophobicContact CD1-CZ 4.18Å; L193-F217 PolarHBondContact N-O 3.49Å; L193-F217 WeakPolarHBondContact O-CD1 3.45Å; L193-F217 WeakPolarHBondContact O-CE1 3.5Å; L193-F217 PolarHBondContact O-N 3.48Å
194	E	89.1	Confident	81.1	Confident	95 Å²	95	69 Å²	69	44%	0.444	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	141.3	175.1	-75.3	171.3	173.4	0	0	111.7	P214 C215 R216	E194-P214 HydrophobicContact CG-CB 4.14Å; E194-P214 HydrophobicContact CG-CG 3.98Å; E194-P214 VanDerWaalsContact OE1-CG 3.3Å; E194-P214 WeakPolarHBondContact OE1-CG 3.27Å; E194-C215 WeakPolarHBondContact CA-O 3.42Å; E194-R216 HydrophobicContact CG-CG 3.69Å; E194-R216 IonicContact OE1-CZ 2.78Å; E194-R216 VanDerWaalsContact OE1-CZ 3.24Å; E194-R216 IonicContact OE1-NE 3.43Å; E194-R216 PolarHBondContact OE1-NE 3.1Å; E194-R216 IonicContact OE1-NH2 2.76Å; E194-R216 PolarHBondContact OE1-NH2 2.97Å
195	F	84.2	Confident	79.1	Confident	42 Å²	42	72.9 Å²	72.9	18%	0.184	37%	0.369	C	S	.	.			trans	-65.6	134.4	167.8	-79.9	-89.6	0	0	0	110	Q21 H23 E197 C215 F217	Q21-F195 HydrophobicContact CB-CE1 4.44Å; Q21-F195 HydrophobicContact CB-CZ 4.15Å; H23-F195 AromaticContact CD2-CE2 3.86Å; H23-F195 AromaticContact CD2-CZ 3.65Å; H23-F195 AromaticContact CG-CE2 3.99Å; H23-F195 AromaticContact NE2-CE2 3.99Å; H23-F195 AromaticContact NE2-CZ 3.61Å; F195-E197 WeakPolarHBondContact CB-O 3.36Å; F195-C215 HydrophobicContact CD2-CB 3.64Å; F195-C215 HydrophobicContact CE2-CB 4.2Å; F195-C215 HydrophobicContact CG-CB 4.49Å; F195-C215 PolarHBondContact N-O 2.9Å; F195-F217 HydrophobicContact CD1-CD1 4.2Å; F195-F217 HydrophobicContact CD1-CE1 4.37Å; F195-F217 AromaticContact CD2-CD1 3.6Å; F195-F217 HydrophobicContact CD2-CD1 3.6Å; F195-F217 HydrophobicContact CD2-CE1 4.33Å; F195-F217 HydrophobicContact CE1-CD1 4.16Å; F195-F217 HydrophobicContact CE2-CB 3.8Å; F195-F217 AromaticContact CE2-CD1 3.57Å; F195-F217 HydrophobicContact CE2-CD1 3.57Å; F195-F217 HydrophobicContact CE2-CG 4.06Å; F195-F217 AromaticContact CG-CD1 3.93Å; F195-F217 HydrophobicContact CG-CD1 3.93Å; F195-F217 HydrophobicContact CG-CE1 4.23Å; F195-F217 HydrophobicContact CZ-CB 4.07Å; F195-F217 AromaticContact CZ-CD1 3.86Å; F195-F217 HydrophobicContact CZ-CD1 3.86Å; F195-F217 HydrophobicContact CZ-CG 4.17Å
196	K	80.4	Confident	77	Confident	214 Å²	214	76.3 Å²	76.3	93%	0.93	40%	0.397	S	S	*	.	S	Bend	trans	-86.6	-11.9	177	-63.5	-173.7	179.1	-178.9	0	113.5
197	E	76.1	Confident	75.2	Confident	165 Å²	165	82.7 Å²	82.7	77%	0.771	42%	0.421	S	S	*	.	S	Bend	trans	-131.3	155.9	-177.7	-66	171.8	-163.4	0	0	107.2	F195 C199	F195-E197 WeakPolarHBondContact CB-O 3.36Å; E197-C199 PolarHBondContact O-N 2.85Å
198	S	71.2	Confident	73.3	Confident	103 Å²	103	83.9 Å²	83.9	72%	0.72	43%	0.433	S	S	*	.			trans	-61.5	122.1	-174.1	54.2	0	0	0	0	112.4	E202	S198-E202 WeakPolarHBondContact CA-OE2 3.23Å; S198-E202 WeakPolarHBondContact CB-OE2 3.24Å
199	C	75.9	Confident	71.2	Confident	6 Å²	6	92.9 Å²	92.9	4%	0.041	48%	0.475	C	S	.	.			trans	-62.3	143.6	173.4	177.9	0	0	0	0	110.8	H23 E197 C201 E202 C215	H23-C199 VanDerWaalsContact CE1-SG 3.53Å; E197-C199 PolarHBondContact O-N 2.85Å; C199-C201 HydrophobicContact CB-CB 4.37Å; C199-C201 WeakPolarHBondContact CB-SG 3.39Å; C199-C201 PolarHBondContact O-N 2.64Å; C199-C201 WeakPolarHBondContact SG-CB 3.36Å; C199-C201 PolarHBondContact SG-N 3.13Å; C199-C201 CovalentContact SG-SG 2.06Å; C199-C201 PolarHBondContact SG-SG 3.42Å; C199-E202 HydrophobicContact CB-CG 4.02Å; C199-E202 WeakPolarHBondContact CB-OE1 3.44Å; C199-E202 VanDerWaalsContact N-CD 3.26Å; C199-E202 PolarHBondContact N-OE1 2.85Å; C199-E202 VanDerWaalsContact N-OE1 3.15Å; C199-E202 PolarHBondContact N-OE2 2.87Å; C199-E202 WeakPolarHBondContact O-CB 3.33Å; C199-E202 PolarHBondContact O-N 3.25Å; C199-C215 HydrophobicContact CB-CB 3.55Å
200	Y	71.2	Confident	69.4	Low	135 Å²	135	93.4 Å²	93.4	53%	0.529	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-55.8	-25.8	169.7	70.5	-90.8	0	0	0	112.7	H23 E202 S203	H23-Y200 AromaticContact CE1-CE1 3.46Å; H23-Y200 VanDerWaalsContact CE1-CE1 3.46Å; H23-Y200 WeakPolarHBondContact CE1-CE1 3.47Å; H23-Y200 AromaticContact CE1-CZ 3.71Å; H23-Y200 PolarHBondContact CE1-OH 2.91Å; H23-Y200 AromaticContact NE2-CE1 3.53Å; Y200-E202 VanDerWaalsContact C-N 3.32Å; Y200-S203 PolarHBondContact O-N 3.3Å; Y200-S203 PolarHBondContact O-OG 2.75Å
201	C	67.3	Low	67.8	Low	10 Å²	10	98.5 Å²	98.5	7%	0.068	52%	0.515	C	S	.	.	G	3₁₀ helix	trans	-68.7	-27.6	175.5	60.2	0	0	0	0	113.4	C199 S203 I204 D205 C215	C199-C201 HydrophobicContact CB-CB 4.37Å; C199-C201 WeakPolarHBondContact CB-SG 3.39Å; C199-C201 PolarHBondContact O-N 2.64Å; C199-C201 WeakPolarHBondContact SG-CB 3.36Å; C199-C201 PolarHBondContact SG-N 3.13Å; C199-C201 CovalentContact SG-SG 2.06Å; C199-C201 PolarHBondContact SG-SG 3.42Å; C201-S203 PolarHBondContact O-N 3.32Å; C201-I204 PolarHBondContact O-N 2.81Å; C201-I204 VanDerWaalsContact O-N 3.12Å; C201-D205 PolarHBondContact O-N 3.1Å; C201-C215 PolarHBondContact SG-SG 2.87Å
202	E	60.5	Low	66.4	Low	50 Å²	50	101.2 Å²	101.2	23%	0.234	53%	0.528	C	S	.	.	G	3₁₀ helix	trans	-71.3	-19.3	177.4	-67.2	154.7	-149.4	0	0	112.2	S198 C199 Y200 C215	S198-E202 WeakPolarHBondContact CA-OE2 3.23Å; S198-E202 WeakPolarHBondContact CB-OE2 3.24Å; C199-E202 HydrophobicContact CB-CG 4.02Å; C199-E202 WeakPolarHBondContact CB-OE1 3.44Å; C199-E202 VanDerWaalsContact N-CD 3.26Å; C199-E202 PolarHBondContact N-OE1 2.85Å; C199-E202 VanDerWaalsContact N-OE1 3.15Å; C199-E202 PolarHBondContact N-OE2 2.87Å; C199-E202 WeakPolarHBondContact O-CB 3.33Å; C199-E202 PolarHBondContact O-N 3.25Å; Y200-E202 VanDerWaalsContact C-N 3.32Å; E202-C215 WeakPolarHBondContact OE1-CB 3.16Å
203	S	59.5	Low	65.4	Low	94 Å²	94	105.8 Å²	105.8	66%	0.657	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-83.5	-10	171.1	72	0	0	0	0	113.8	Y200 C201	Y200-S203 PolarHBondContact O-N 3.3Å; Y200-S203 PolarHBondContact O-OG 2.75Å; C201-S203 PolarHBondContact O-N 3.32Å
204	I	56.2	Low	64.7	Low	122 Å²	122	106.2 Å²	106.2	63%	0.626	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-45.1	176.1	-56.7	175.3	0	0	0	110.1	C201 A206	C201-I204 PolarHBondContact O-N 2.81Å; C201-I204 VanDerWaalsContact O-N 3.12Å; I204-A206 PolarHBondContact O-N 2.89Å; I204-A206 VanDerWaalsContact O-N 3.1Å
205	D	50.8	Low	64.6	Low	84 Å²	84	102.4 Å²	102.4	45%	0.449	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-72.1	0.6	179.1	-69.5	-19.9	0	0	0	112.8	K70 C201 E207 S208	K70-D205 IonicContact NZ-OD2 3.44Å; K70-D205 PolarHBondContact NZ-OD2 3.38Å; C201-D205 PolarHBondContact O-N 3.1Å; D205-E207 VanDerWaalsContact C-N 3.3Å; D205-E207 PolarHBondContact O-N 2.79Å; D205-S208 PolarHBondContact O-N 3.48Å; D205-S208 PolarHBondContact O-OG 3.1Å
206	A	51	Low	65	Low	71 Å²	71	104.3 Å²	104.3	59%	0.587	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-64.8	-18.7	-169.6	0	0	0	0	0	116.3	I204 S208	I204-A206 PolarHBondContact O-N 2.89Å; I204-A206 VanDerWaalsContact O-N 3.1Å; A206-S208 PolarHBondContact O-N 2.95Å
207	E	53.3	Low	65.6	Low	193 Å²	193	95 Å²	95	90%	0.902	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-72.9	-16.2	171.5	-63.7	-168.2	154.4	0	0	112.5	D205	D205-E207 VanDerWaalsContact C-N 3.3Å; D205-E207 PolarHBondContact O-N 2.79Å
208	S	53.1	Low	66.5	Low	64 Å²	64	87.1 Å²	87.1	45%	0.448	47%	0.474	S	S	.	.			trans	-96.1	110.1	178.8	70.6	0	0	0	0	112	D205 A206 S210	D205-S208 PolarHBondContact O-N 3.48Å; D205-S208 PolarHBondContact O-OG 3.1Å; A206-S208 PolarHBondContact O-N 2.95Å; S208-S210 PolarHBondContact O-N 3.13Å
209	Q	46.6	Very low	67.6	Low	202 Å²	202	83.2 Å²	83.2	94%	0.944	45%	0.445	S	S	*	.			trans	-74.1	20	-179.4	-63.2	-174.3	-8.1	0	0	114.4
210	S	52.7	Low	68.5	Low	83 Å²	83	82.9 Å²	82.9	58%	0.58	44%	0.443	S	S	*	.	S	Bend	trans	-90.3	114.8	179.2	51.1	0	0	0	0	111.3	S208 Q212	S208-S210 PolarHBondContact O-N 3.13Å; S210-Q212 PolarHBondContact O-N 2.88Å
211	I	53.5	Low	69.5	Low	156 Å²	156	79 Å²	79	80%	0.8	43%	0.43	S	S	*	.			trans	11.8	98.1	163.9	-52.6	175.2	0	0	0	113.8	T213	I211-T213 PolarHBondContact O-N 3.48Å
212	Q	59.6	Low	70.7	Confident	168 Å²	168	80.1 Å²	80.1	79%	0.785	43%	0.434	S	S	*	.			trans	-55.3	105	174.2	-72.8	177.8	-43.8	0	0	110.1	S210	S210-Q212 PolarHBondContact O-N 2.88Å
213	T	68.5	Low	72	Confident	112 Å²	112	78.3 Å²	78.3	69%	0.687	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-80.9	129.6	166.1	45.1	0	0	0	0	107.2	I211 C215	I211-T213 PolarHBondContact O-N 3.48Å; T213-C215 PolarHBondContact O-N 2.76Å
214	P	78.2	Confident	73	Confident	62 Å²	62	77.1 Å²	77.1	40%	0.403	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-61.7	136.3	-176	25.9	-34.5	0	0	0	109.4	E194	E194-P214 HydrophobicContact CG-CB 4.14Å; E194-P214 HydrophobicContact CG-CG 3.98Å; E194-P214 VanDerWaalsContact OE1-CG 3.3Å; E194-P214 WeakPolarHBondContact OE1-CG 3.27Å
215	C	87.2	Confident	73.8	Confident	15 Å²	15	71.8 Å²	71.8	10%	0.101	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-62	145.3	174.5	-168.3	0	0	0	0	110.2	E194 F195 C199 C201 E202 T213	E194-C215 WeakPolarHBondContact CA-O 3.42Å; F195-C215 HydrophobicContact CD2-CB 3.64Å; F195-C215 HydrophobicContact CE2-CB 4.2Å; F195-C215 HydrophobicContact CG-CB 4.49Å; F195-C215 PolarHBondContact N-O 2.9Å; C199-C215 HydrophobicContact CB-CB 3.55Å; C201-C215 PolarHBondContact SG-SG 2.87Å; E202-C215 WeakPolarHBondContact OE1-CB 3.16Å; T213-C215 PolarHBondContact O-N 2.76Å
216	R	91.9	Very high	74.5	Confident	81 Å²	81	73 Å²	73	31%	0.306	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	146.9	178.8	-57.6	-173.1	173.5	163.2	1.6	112.2	H23 C69 C192 L193 E194	H23-R216 WeakPolarHBondContact CB-O 3.1Å; C69-R216 WeakPolarHBondContact CA-O 3.16Å; C69-R216 VanDerWaalsContact SG-C 3.52Å; C192-R216 WeakPolarHBondContact SG-CB 3.44Å; L193-R216 CarbonylContact O-C 3.39Å; L193-R216 WeakPolarHBondContact O-CA 3.04Å; E194-R216 HydrophobicContact CG-CG 3.69Å; E194-R216 IonicContact OE1-CZ 2.78Å; E194-R216 VanDerWaalsContact OE1-CZ 3.24Å; E194-R216 IonicContact OE1-NE 3.43Å; E194-R216 PolarHBondContact OE1-NE 3.1Å; E194-R216 IonicContact OE1-NH2 2.76Å; E194-R216 PolarHBondContact OE1-NH2 2.97Å
217	F	93.7	Very high	74.7	Confident	18 Å²	18	75.8 Å²	75.8	8%	0.079	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	154.4	-178.7	66.8	-84.5	0	0	0	112.9	Q21 L22 H23 C69 L193 F195	Q21-F217 HydrophobicContact CB-CB 3.89Å; Q21-F217 HydrophobicContact CB-CD2 3.55Å; Q21-F217 HydrophobicContact CB-CE2 4.22Å; Q21-F217 HydrophobicContact CB-CG 3.72Å; Q21-F217 HydrophobicContact CG-CD2 3.55Å; Q21-F217 HydrophobicContact CG-CE2 3.68Å; Q21-F217 HydrophobicContact CG-CG 4.05Å; Q21-F217 HydrophobicContact CG-CZ 4.29Å; Q21-F217 VanDerWaalsContact NE2-CE1 3.26Å; L22-F217 CarbonylContact O-C 3.4Å; L22-F217 WeakPolarHBondContact O-CA 3.41Å; H23-F217 HydrophobicContact CB-CB 4.07Å; C69-F217 WeakPolarHBondContact SG-CA 3.48Å; C69-F217 PolarHBondContact SG-N 2.86Å; C69-F217 PolarHBondContact SG-O 2.88Å; L193-F217 HydrophobicContact CB-CD1 4.45Å; L193-F217 HydrophobicContact CB-CE1 3.93Å; L193-F217 HydrophobicContact CB-CE2 4.07Å; L193-F217 HydrophobicContact CB-CZ 3.72Å; L193-F217 HydrophobicContact CD1-CE2 4.13Å; L193-F217 HydrophobicContact CD1-CZ 4.18Å; L193-F217 PolarHBondContact N-O 3.49Å; L193-F217 WeakPolarHBondContact O-CD1 3.45Å; L193-F217 WeakPolarHBondContact O-CE1 3.5Å; L193-F217 PolarHBondContact O-N 3.48Å; F195-F217 HydrophobicContact CD1-CD1 4.2Å; F195-F217 HydrophobicContact CD1-CE1 4.37Å; F195-F217 AromaticContact CD2-CD1 3.6Å; F195-F217 HydrophobicContact CD2-CD1 3.6Å; F195-F217 HydrophobicContact CD2-CE1 4.33Å; F195-F217 HydrophobicContact CE1-CD1 4.16Å; F195-F217 HydrophobicContact CE2-CB 3.8Å; F195-F217 AromaticContact CE2-CD1 3.57Å; F195-F217 HydrophobicContact CE2-CD1 3.57Å; F195-F217 HydrophobicContact CE2-CG 4.06Å; F195-F217 AromaticContact CG-CD1 3.93Å; F195-F217 HydrophobicContact CG-CD1 3.93Å; F195-F217 HydrophobicContact CG-CE1 4.23Å; F195-F217 HydrophobicContact CZ-CB 4.07Å; F195-F217 AromaticContact CZ-CD1 3.86Å; F195-F217 HydrophobicContact CZ-CD1 3.86Å; F195-F217 HydrophobicContact CZ-CG 4.17Å
218	L	94.7	Very high	75.1	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	130.2	166.5	-62.2	176.3	0	0	0	109	L22 F62 I66 C69 I71 M188 Q191 C192 V220	L22-L218 PolarHBondContact N-O 3.34Å; L22-L218 PolarHBondContact O-N 2.84Å; F62-L218 HydrophobicContact CE2-CD1 4.33Å; I66-L218 HydrophobicContact CG1-CD1 3.75Å; C69-L218 HydrophobicContact CB-CG 4.22Å; I71-L218 HydrophobicContact CD1-CB 4.33Å; I71-L218 HydrophobicContact CD1-CD1 3.52Å; I71-L218 HydrophobicContact CD1-CG 3.93Å; M188-L218 HydrophobicContact CE-CB 4.18Å; M188-L218 HydrophobicContact CE-CD1 3.33Å; M188-L218 HydrophobicContact CE-CG 4.33Å; Q191-L218 VanDerWaalsContact C-CD2 3.44Å; Q191-L218 WeakPolarHBondContact O-CD2 3.17Å; C192-L218 HydrophobicContact CB-CD2 4Å; L218-V220 PolarHBondContact O-N 3.05Å
219	T	95	Very high	75.9	Confident	21 Å²	21	69.6 Å²	69.6	13%	0.129	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	118.6	172.6	-48	0	0	0	0	109.5	V19 K189	V19-T219 HydrophobicContact CG1-CG2 3.89Å; K189-T219 PolarHBondContact N-O 2.06Å
220	V	94.7	Very high	77.6	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	158.7	178	-61.1	0	0	0	0	110.7	V19 S20 L22 I183 M188 L218	V19-V220 WeakPolarHBondContact CA-O 3.39Å; S20-V220 PolarHBondContact N-O 3.41Å; S20-V220 PolarHBondContact O-N 3.18Å; L22-V220 HydrophobicContact CB-CG1 3.87Å; L22-V220 HydrophobicContact CB-CG2 3.89Å; L22-V220 HydrophobicContact CD2-CG1 3.98Å; I183-V220 HydrophobicContact CD1-CB 4.42Å; I183-V220 HydrophobicContact CD1-CG2 4.15Å; I183-V220 HydrophobicContact CG2-CB 3.86Å; I183-V220 HydrophobicContact CG2-CG1 4.01Å; M188-V220 HydrophobicContact CE-CG1 4.45Å; M188-V220 HydrophobicContact CG-CG1 4.09Å; M188-V220 HydrophobicContact SD-CG1 4.4Å; L218-V220 PolarHBondContact O-N 3.05Å
221	H	92.4	Very high	79	Confident	54 Å²	54	58.7 Å²	58.7	25%	0.25	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	104.9	167.1	-61.2	73.4	0	0	0	108.2	F17 K18 P184 L187	F17-H221 HydrophobicContact CB-CB 4.32Å; F17-H221 HydrophobicContact CD1-CB 4.11Å; K18-H221 CarbonylContact O-C 3.5Å; K18-H221 WeakPolarHBondContact O-CA 3.4Å; P184-H221 WeakPolarHBondContact CD-O 3.41Å; L187-H221 HydrophobicContact CB-CB 3.76Å; L187-H221 HydrophobicContact CD1-CB 3.85Å; L187-H221 HydrophobicContact CG-CB 4.47Å; L187-H221 PolarHBondContact O-ND1 3.4Å
222	E	91.2	Very high	80.3	Confident	32 Å²	32	51.9 Å²	51.9	15%	0.15	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	129	171.7	-71.1	167.1	-157.4	0	0	108.9	F17 K18 S20 I183 I224	F17-E222 VanDerWaalsContact CA-O 3.29Å; F17-E222 WeakPolarHBondContact CA-O 3.47Å; K18-E222 PolarHBondContact N-O 2.93Å; K18-E222 IonicContact NZ-OE1 3.2Å; K18-E222 IonicContact NZ-OE2 3.39Å; K18-E222 PolarHBondContact NZ-OE2 3.02Å; K18-E222 PolarHBondContact O-N 3.41Å; S20-E222 WeakPolarHBondContact CB-OE1 3.42Å; S20-E222 PolarHBondContact OG-OE1 2.67Å; S20-E222 PolarHBondContact OG-OE2 3.4Å; I183-E222 HydrophobicContact CG1-CG 4.18Å; E222-I224 HydrophobicContact CB-CG1 4.47Å; E222-I224 PolarHBondContact O-N 3.27Å
223	F	88.6	Confident	81.3	Confident	12 Å²	12	45.9 Å²	45.9	5%	0.053	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	98.8	166.8	178.8	-111.5	0	0	0	109.2	N16 F17 F167 F182 P225	N16-F223 HydrophobicContact CB-CD2 4.06Å; N16-F223 HydrophobicContact CB-CE2 3.76Å; N16-F223 WeakPolarHBondContact O-CA 3.23Å; N16-F223 WeakPolarHBondContact O-CD2 3.1Å; F17-F223 HydrophobicContact CD1-CB 4.3Å; F17-F223 HydrophobicContact CD1-CD2 4.49Å; F17-F223 HydrophobicContact CE1-CB 3.86Å; F17-F223 AromaticContact CE1-CD2 3.84Å; F17-F223 HydrophobicContact CE1-CD2 3.84Å; F17-F223 HydrophobicContact CE1-CG 4.34Å; F17-F223 HydrophobicContact CE2-CD2 4.49Å; F17-F223 AromaticContact CZ-CD2 3.84Å; F17-F223 HydrophobicContact CZ-CD2 3.84Å; F167-F223 HydrophobicContact CB-CE1 4.09Å; F167-F223 HydrophobicContact CB-CZ 4.05Å; F167-F223 HydrophobicContact CD1-CB 4.21Å; F167-F223 AromaticContact CD1-CD1 3.81Å; F167-F223 HydrophobicContact CD1-CD1 3.81Å; F167-F223 AromaticContact CD1-CD2 3.48Å; F167-F223 HydrophobicContact CD1-CD2 3.48Å; F167-F223 VanDerWaalsContact CD1-CD2 3.48Å; F167-F223 AromaticContact CD1-CE1 3.94Å; F167-F223 HydrophobicContact CD1-CE1 3.94Å; F167-F223 AromaticContact CD1-CE2 3.61Å; F167-F223 HydrophobicContact CD1-CE2 3.61Å; F167-F223 AromaticContact CD1-CG 3.57Å; F167-F223 HydrophobicContact CD1-CG 3.57Å; F167-F223 AromaticContact CD1-CZ 3.83Å; F167-F223 HydrophobicContact CD1-CZ 3.83Å; F167-F223 HydrophobicContact CE1-CB 4.22Å; F167-F223 AromaticContact CE1-CD2 3.77Å; F167-F223 HydrophobicContact CE1-CD2 3.77Å; F167-F223 HydrophobicContact CE1-CE2 4.22Å; F167-F223 AromaticContact CE1-CG 3.97Å; F167-F223 HydrophobicContact CE1-CG 3.97Å; F167-F223 HydrophobicContact CG-CE2 4.47Å; F167-F223 HydrophobicContact CG-CZ 4.4Å; F167-F223 VanDerWaalsContact O-CE1 3.28Å; F167-F223 WeakPolarHBondContact O-CE1 3.15Å; F182-F223 HydrophobicContact CB-CB 4.37Å; F182-F223 HydrophobicContact CD1-CB 4.17Å; F182-F223 WeakPolarHBondContact O-CB 3.38Å; F182-F223 PolarHBondContact O-N 3.12Å; F223-P225 HydrophobicContact CD1-CG 4.5Å; F223-P225 HydrophobicContact CE1-CB 3.89Å; F223-P225 HydrophobicContact CE1-CG 3.96Å; F223-P225 HydrophobicContact CE2-CB 4.43Å; F223-P225 HydrophobicContact CZ-CB 3.75Å; F223-P225 HydrophobicContact CZ-CG 4.34Å; F223-P225 WeakPolarHBondContact O-CD 3.28Å
224	I	80.8	Confident	82.1	Confident	70 Å²	70	40.6 Å²	40.6	36%	0.359	22%	0.223	S	C	.	.			trans	-101.6	100.7	163.5	-59.1	-169.6	0	0	0	105.4	N16 K18 E222 Q226	N16-I224 CarbonylContact C-O 3.57Å; N16-I224 WeakPolarHBondContact CA-O 3.09Å; N16-I224 CarbonylContact O-C 3.48Å; N16-I224 PolarHBondContact O-N 3.37Å; K18-I224 HydrophobicContact CB-CD1 3.69Å; K18-I224 HydrophobicContact CB-CG1 4.07Å; K18-I224 HydrophobicContact CD-CD1 3.56Å; K18-I224 HydrophobicContact CG-CD1 4.27Å; E222-I224 HydrophobicContact CB-CG1 4.47Å; E222-I224 PolarHBondContact O-N 3.27Å; I224-Q226 PolarHBondContact O-N 3.22Å
225	P	71.8	Confident	82.5	Confident	10 Å²	10	38.8 Å²	38.8	7%	0.065	21%	0.208	C	C	.	.			trans	-56.8	130.1	174.7	22.8	-30	0	0	0	108.2	F223 R235	F223-P225 HydrophobicContact CD1-CG 4.5Å; F223-P225 HydrophobicContact CE1-CB 3.89Å; F223-P225 HydrophobicContact CE1-CG 3.96Å; F223-P225 HydrophobicContact CE2-CB 4.43Å; F223-P225 HydrophobicContact CZ-CB 3.75Å; F223-P225 HydrophobicContact CZ-CG 4.34Å; F223-P225 WeakPolarHBondContact O-CD 3.28Å; P225-R235 VanDerWaalsContact CG-NH1 3.35Å
226	Q	66.6	Low	82.5	Confident	108 Å²	108	38.3 Å²	38.3	51%	0.505	20%	0.204	S	C	.	.			trans	-47	148.5	167.2	-173	-178	11.5	0	0	108.5	N16 I224 S228	N16-Q226 WeakPolarHBondContact OD1-CB 3.14Å; N16-Q226 PolarHBondContact OD1-N 3.28Å; I224-Q226 PolarHBondContact O-N 3.22Å; Q226-S228 PolarHBondContact O-N 2.98Å
227	P	54.5	Low	82.3	Confident	131 Å²	131	34.5 Å²	34.5	85%	0.851	19%	0.19	S	C	*	.			trans	-53.5	86	174.6	19.2	-34.1	0	0	0	112.1	S229	P227-S229 PolarHBondContact O-N 3Å
228	S	63.1	Low	82.1	Confident	43 Å²	43	33.9 Å²	33.9	30%	0.301	19%	0.187	S	C	.	.			trans	-76.7	123.6	-179.1	64.4	0	0	0	0	107	Q226 V230 R235	Q226-S228 PolarHBondContact O-N 2.98Å; S228-V230 CarbonylContact O-C 3.47Å; S228-V230 PolarHBondContact O-N 2.91Å; S228-V230 PolarHBondContact OG-O 3.05Å; S228-R235 PolarHBondContact OG-NE 3.15Å; S228-R235 PolarHBondContact OG-NH2 3.19Å
229	S	68.3	Low	81.7	Confident	83 Å²	83	33.9 Å²	33.9	58%	0.58	19%	0.187	S	C	*	.	S	Bend	trans	-59	-16.9	171.7	42.4	0	0	0	0	112.6	P227 H231 S281	P227-S229 PolarHBondContact O-N 3Å; S229-H231 PolarHBondContact O-N 2.68Å; S229-S281 WeakPolarHBondContact OG-CB 3.4Å
230	V	83	Confident	81.3	Confident	3 Å²	3	32.9 Å²	32.9	2%	0.018	18%	0.181	C	C	.	.	S	Bend	trans	-66.5	113.1	159	-179.5	0	0	0	0	110.8	S228 C234 R235 I238 V277 F280	S228-V230 CarbonylContact O-C 3.47Å; S228-V230 PolarHBondContact O-N 2.91Å; S228-V230 PolarHBondContact OG-O 3.05Å; V230-C234 HydrophobicContact CG1-CB 4.02Å; V230-R235 HydrophobicContact CG1-CG 3.92Å; V230-I238 HydrophobicContact CB-CD1 4.38Å; V230-I238 HydrophobicContact CG1-CD1 3.71Å; V230-I238 HydrophobicContact CG2-CD1 3.82Å; V230-V277 HydrophobicContact CG2-CB 4.31Å; V230-V277 HydrophobicContact CG2-CG1 3.9Å; V230-V277 WeakPolarHBondContact CG2-O 3.44Å; V230-F280 HydrophobicContact CG1-CB 4.19Å; V230-F280 HydrophobicContact CG2-CB 3.99Å
231	H	82.7	Confident	81	Confident	53 Å²	53	33 Å²	33	25%	0.245	18%	0.182	C	C	.	.			trans	-60.2	141	174.2	-175.3	-101.9	0	0	0	112.3	S229 K233 C234 G284	S229-H231 PolarHBondContact O-N 2.68Å; H231-K233 VanDerWaalsContact C-N 3.29Å; H231-K233 PolarHBondContact O-N 2.68Å; H231-K233 VanDerWaalsContact O-N 3.1Å; H231-C234 WeakPolarHBondContact O-CB 3.4Å; H231-C234 PolarHBondContact O-N 3.38Å; H231-G284 WeakPolarHBondContact CB-O 3.11Å
232	P	80.1	Confident	80.8	Confident	14 Å²	14	30.5 Å²	30.5	9%	0.091	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-48.5	-41.4	-175.7	-35.3	39.8	0	0	0	115.9	H172 Q173 C234 R235	H172-P232 HydrophobicContact CB-CG 3.91Å; Q173-P232 HydrophobicContact CG-CB 4.33Å; P232-C234 PolarHBondContact O-N 3.43Å; P232-C234 VanDerWaalsContact O-N 3.13Å; P232-R235 PolarHBondContact O-N 2.91Å; P232-R235 VanDerWaalsContact O-N 3.14Å
233	K	79.6	Confident	80.4	Confident	42 Å²	42	29.5 Å²	29.5	18%	0.183	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-58.8	-24.3	177.9	-68.1	-178.4	162.3	-157.1	0	114.1	Q173 H231 L372 K373	Q173-K233 HydrophobicContact CG-CG 4.4Å; H231-K233 VanDerWaalsContact C-N 3.29Å; H231-K233 PolarHBondContact O-N 2.68Å; H231-K233 VanDerWaalsContact O-N 3.1Å; K233-L372 VanDerWaalsContact CD-O 3.27Å; K233-L372 WeakPolarHBondContact CD-O 3.48Å; K233-L372 WeakPolarHBondContact CE-O 3.5Å; K233-L372 PolarHBondContact NZ-O 3.49Å; K233-K373 VanDerWaalsContact NZ-C 3.34Å; K233-K373 PolarHBondContact NZ-O 3.15Å
234	C	85.2	Confident	80.2	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.007	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-93	-13.2	-177.8	-58	0	0	0	0	113.1	V230 H231 P232 L237 I238 F280	V230-C234 HydrophobicContact CG1-CB 4.02Å; H231-C234 WeakPolarHBondContact O-CB 3.4Å; H231-C234 PolarHBondContact O-N 3.38Å; P232-C234 PolarHBondContact O-N 3.43Å; P232-C234 VanDerWaalsContact O-N 3.13Å; C234-L237 WeakPolarHBondContact O-CB 3.24Å; C234-L237 PolarHBondContact O-N 3.01Å; C234-I238 PolarHBondContact O-N 3.41Å; C234-F280 HydrophobicContact CB-CD1 3.81Å; C234-F280 HydrophobicContact CB-CE1 4.36Å
235	R	86.8	Confident	80.2	Confident	23 Å²	23	28 Å²	28	9%	0.087	16%	0.163	C	C	.	.	H	α-helix	trans	-61.7	-42.8	-177.1	-64.5	176.9	-178	165.7	-3.9	113.1	L168 P225 S228 V230 P232 L237 I238 G239	L168-R235 WeakPolarHBondContact O-CB 3.29Å; P225-R235 VanDerWaalsContact CG-NH1 3.35Å; S228-R235 PolarHBondContact OG-NE 3.15Å; S228-R235 PolarHBondContact OG-NH2 3.19Å; V230-R235 HydrophobicContact CG1-CG 3.92Å; P232-R235 PolarHBondContact O-N 2.91Å; P232-R235 VanDerWaalsContact O-N 3.14Å; R235-L237 VanDerWaalsContact C-N 3.28Å; R235-L237 PolarHBondContact O-N 3.48Å; R235-I238 WeakPolarHBondContact O-CB 3.08Å; R235-I238 PolarHBondContact O-N 2.83Å; R235-I238 VanDerWaalsContact O-N 3.17Å; R235-G239 PolarHBondContact O-N 2.9Å
236	P	87.2	Confident	80.7	Confident	5 Å²	5	27.6 Å²	27.6	3%	0.032	16%	0.16	C	C	.	.	H	α-helix	trans	-61.5	-32.5	174.9	-26.8	37.9	0	0	0	114	L168 I238 G239 L240 L314 Y317	L168-P236 HydrophobicContact CB-CG 4.5Å; L168-P236 WeakPolarHBondContact O-CD 3.39Å; P236-I238 VanDerWaalsContact C-N 3.35Å; P236-I238 PolarHBondContact O-N 3.1Å; P236-G239 PolarHBondContact O-N 3.43Å; P236-L240 WeakPolarHBondContact O-CG 3.35Å; P236-L240 PolarHBondContact O-N 2.85Å; P236-L314 HydrophobicContact CB-CD1 3.58Å; P236-Y317 HydrophobicContact CB-CD1 4.16Å; P236-Y317 HydrophobicContact CB-CD2 4.41Å; P236-Y317 HydrophobicContact CB-CG 3.88Å; P236-Y317 HydrophobicContact CG-CG 4.38Å
237	L	88.6	Confident	81.5	Confident	1 Å²	1	22.5 Å²	22.5	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-61.3	-43.4	175.1	-60.9	172	0	0	0	110.9	C234 R235 G239 L240 L241 F280 I291 L310 L314 L372	C234-L237 WeakPolarHBondContact O-CB 3.24Å; C234-L237 PolarHBondContact O-N 3.01Å; R235-L237 VanDerWaalsContact C-N 3.28Å; R235-L237 PolarHBondContact O-N 3.48Å; L237-G239 VanDerWaalsContact C-N 3.3Å; L237-G239 PolarHBondContact O-N 3.04Å; L237-L240 PolarHBondContact O-N 3.44Å; L237-L241 HydrophobicContact CB-CD1 4.43Å; L237-L241 VanDerWaalsContact O-CB 3.32Å; L237-L241 WeakPolarHBondContact O-CB 3.5Å; L237-L241 WeakPolarHBondContact O-CD1 3.16Å; L237-L241 WeakPolarHBondContact O-CG 3.45Å; L237-L241 PolarHBondContact O-N 3.29Å; L237-F280 HydrophobicContact CB-CE1 4.18Å; L237-F280 HydrophobicContact CB-CZ 3.91Å; L237-F280 HydrophobicContact CD1-CE1 3.79Å; L237-F280 HydrophobicContact CD1-CZ 4.19Å; L237-I291 HydrophobicContact CD1-CD1 4.02Å; L237-I291 HydrophobicContact CD1-CG1 4.31Å; L237-I291 HydrophobicContact CD2-CD1 4.25Å; L237-L310 HydrophobicContact CD2-CD1 3.97Å; L237-L314 HydrophobicContact CD2-CD1 4.04Å; L237-L314 HydrophobicContact CD2-CD2 3.86Å; L237-L314 HydrophobicContact CG-CD1 4.49Å; L237-L372 HydrophobicContact CD1-CD2 4.26Å
238	I	88.4	Confident	82.5	Confident	5 Å²	5	17.1 Å²	17.1	3%	0.026	10%	0.101	C	C	.	.	H	α-helix	trans	-57.7	-44.7	177.1	-63.8	179.6	0	0	0	110.9	V230 C234 R235 P236 L241 L242 F273 L276 V277 F280	V230-I238 HydrophobicContact CB-CD1 4.38Å; V230-I238 HydrophobicContact CG1-CD1 3.71Å; V230-I238 HydrophobicContact CG2-CD1 3.82Å; C234-I238 PolarHBondContact O-N 3.41Å; R235-I238 WeakPolarHBondContact O-CB 3.08Å; R235-I238 PolarHBondContact O-N 2.83Å; R235-I238 VanDerWaalsContact O-N 3.17Å; P236-I238 VanDerWaalsContact C-N 3.35Å; P236-I238 PolarHBondContact O-N 3.1Å; I238-L241 PolarHBondContact O-N 3.03Å; I238-L242 PolarHBondContact O-N 3.32Å; I238-L242 VanDerWaalsContact O-N 3.14Å; I238-F273 HydrophobicContact CG2-CD2 3.74Å; I238-F273 HydrophobicContact CG2-CE2 3.82Å; I238-L276 HydrophobicContact CG1-CB 4.37Å; I238-L276 HydrophobicContact CG2-CB 3.94Å; I238-L276 HydrophobicContact CG2-CD1 4.36Å; I238-V277 HydrophobicContact CD1-CG2 3.96Å; I238-V277 HydrophobicContact CG2-CG2 4.45Å; I238-F280 HydrophobicContact CD1-CB 4.05Å; I238-F280 HydrophobicContact CD1-CD2 4.14Å; I238-F280 HydrophobicContact CD1-CG 4.28Å; I238-F280 HydrophobicContact CG1-CB 4.37Å; I238-F280 HydrophobicContact CG1-CD2 3.58Å; I238-F280 HydrophobicContact CG1-CE2 4.08Å; I238-F280 HydrophobicContact CG1-CG 4.06Å
239	G	86.3	Confident	83.3	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60.9	-48.8	177.4	0	0	0	0	0	113.5	R235 P236 L237 L241 L242	R235-G239 PolarHBondContact O-N 2.9Å; P236-G239 PolarHBondContact O-N 3.43Å; L237-G239 VanDerWaalsContact C-N 3.3Å; L237-G239 PolarHBondContact O-N 3.04Å; G239-L241 VanDerWaalsContact C-N 3.3Å; G239-L241 PolarHBondContact O-N 2.95Å; G239-L242 WeakPolarHBondContact O-CB 3.04Å; G239-L242 PolarHBondContact O-N 3.04Å
240	L	87.4	Confident	84.1	Confident	0 Å²	0	14 Å²	14	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61.5	-39.4	176.9	-67.8	176.3	0	0	0	111.9	M1 P236 L237 L242 G243 T244 M247 L310 L314 Y317	M1-L240 HydrophobicContact SD-CD2 4.47Å; P236-L240 WeakPolarHBondContact O-CG 3.35Å; P236-L240 PolarHBondContact O-N 2.85Å; L237-L240 PolarHBondContact O-N 3.44Å; L240-L242 VanDerWaalsContact C-N 3.27Å; L240-L242 PolarHBondContact O-N 3.49Å; L240-G243 PolarHBondContact O-N 3.1Å; L240-T244 HydrophobicContact CD2-CG2 4.14Å; L240-M247 HydrophobicContact CB-SD 3.86Å; L240-L310 HydrophobicContact CD1-CD1 3.98Å; L240-L314 HydrophobicContact CD1-CB 4.02Å; L240-L314 HydrophobicContact CD1-CD1 4.09Å; L240-Y317 HydrophobicContact CD2-CE2 3.99Å; L240-Y317 HydrophobicContact CG-CE2 4.37Å
241	L	89.6	Confident	84.5	Confident	3 Å²	3	17.1 Å²	17.1	2%	0.016	9%	0.086	C	C	.	.	H	α-helix	trans	-74.6	-9.2	179.3	-63.1	168	0	0	0	113.9	L237 I238 G239 G243 T250 R272 L276 F280 I294	L237-L241 HydrophobicContact CB-CD1 4.43Å; L237-L241 VanDerWaalsContact O-CB 3.32Å; L237-L241 WeakPolarHBondContact O-CB 3.5Å; L237-L241 WeakPolarHBondContact O-CD1 3.16Å; L237-L241 WeakPolarHBondContact O-CG 3.45Å; L237-L241 PolarHBondContact O-N 3.29Å; I238-L241 PolarHBondContact O-N 3.03Å; G239-L241 VanDerWaalsContact C-N 3.3Å; G239-L241 PolarHBondContact O-N 2.95Å; L241-G243 VanDerWaalsContact C-N 3.3Å; L241-T250 HydrophobicContact CD2-CG2 3.78Å; L241-T250 WeakPolarHBondContact CD2-OG1 3.34Å; L241-R272 VanDerWaalsContact O-CZ 3.24Å; L241-R272 PolarHBondContact O-NE 3.41Å; L241-R272 PolarHBondContact O-NH2 3.38Å; L241-L276 HydrophobicContact CB-CD1 3.94Å; L241-L276 HydrophobicContact CB-CD2 4.29Å; L241-L276 HydrophobicContact CD1-CD2 4.33Å; L241-F280 HydrophobicContact CD1-CE2 3.58Å; L241-F280 HydrophobicContact CD1-CZ 3.69Å; L241-I294 HydrophobicContact CD1-CD1 3.52Å; L241-I294 HydrophobicContact CD2-CD1 3.78Å; L241-I294 HydrophobicContact CG-CD1 4.32Å
242	L	86.3	Confident	84.9	Confident	2 Å²	2	14.7 Å²	14.7	1%	0.01	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-19.8	164.6	-71.7	179.1	0	0	0	113.2	I3 I238 G239 L240 R272 F273 L276	I3-L242 HydrophobicContact CG2-CB 4.25Å; I3-L242 HydrophobicContact CG2-CD1 4.05Å; I238-L242 PolarHBondContact O-N 3.32Å; I238-L242 VanDerWaalsContact O-N 3.14Å; G239-L242 WeakPolarHBondContact O-CB 3.04Å; G239-L242 PolarHBondContact O-N 3.04Å; L240-L242 VanDerWaalsContact C-N 3.27Å; L240-L242 PolarHBondContact O-N 3.49Å; L242-R272 HydrophobicContact CD2-CB 4.19Å; L242-R272 HydrophobicContact CD2-CG 4.07Å; L242-F273 HydrophobicContact CD1-CB 4.36Å; L242-F273 HydrophobicContact CD1-CD2 4.01Å; L242-F273 HydrophobicContact CD2-CB 3.97Å; L242-L276 HydrophobicContact CD2-CD1 4.1Å; L242-L276 HydrophobicContact CG-CD1 4.47Å
243	G	83.3	Confident	85.6	Confident	10 Å²	10	14.3 Å²	14.3	10%	0.103	7%	0.073	C	C	.	.			trans	93.5	122.2	-173.3	0	0	0	0	0	112.5	L240 L241 M247	L240-G243 PolarHBondContact O-N 3.1Å; L241-G243 VanDerWaalsContact C-N 3.3Å; G243-M247 CarbonylContact C-O 3.56Å; G243-M247 WeakPolarHBondContact CA-O 3.44Å
244	T	84	Confident	86.3	Confident	19 Å²	19	18.8 Å²	18.8	12%	0.117	10%	0.098	C	C	.	.			trans	-121	-173.3	178.9	67.4	0	0	0	0	110.5	I3 L240 S246 M247	I3-T244 HydrophobicContact CD1-CG2 4.44Å; I3-T244 HydrophobicContact CG1-CG2 3.99Å; L240-T244 HydrophobicContact CD2-CG2 4.14Å; T244-S246 PolarHBondContact OG1-N 2.72Å; T244-S246 PolarHBondContact OG1-OG 3.43Å; T244-M247 PolarHBondContact N-O 3.47Å; T244-M247 PolarHBondContact OG1-N 3.07Å
245	D	82	Confident	86.7	Confident	33 Å²	33	23.7 Å²	23.7	18%	0.176	12%	0.118	C	C	.	.	S	Bend	trans	-71.5	-29.8	167.4	54.8	-8.9	0	0	0	113	M1 P2 F86 Q87 S90	M1-D245 WeakPolarHBondContact CA-OD1 3.47Å; M1-D245 WeakPolarHBondContact CA-OD2 3.38Å; M1-D245 WeakPolarHBondContact CB-OD1 3.32Å; M1-D245 VanDerWaalsContact CG-OD1 3.27Å; M1-D245 WeakPolarHBondContact CG-OD1 3.46Å; P2-D245 WeakPolarHBondContact CD-OD2 3.13Å; F86-D245 CarbonylContact C-O 3.53Å; Q87-D245 WeakPolarHBondContact CA-O 3.44Å; Q87-D245 HydrophobicContact CG-CB 3.95Å; Q87-D245 PolarHBondContact N-O 3.14Å; S90-D245 PolarHBondContact OG-O 3.49Å
246	S	82.6	Confident	87.1	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-81.5	-40.5	175.1	72.1	0	0	0	0	113	M1 G85 F86 T244 S313	M1-S246 PolarHBondContact SD-OG 2.97Å; G85-S246 WeakPolarHBondContact CA-O 3.31Å; F86-S246 PolarHBondContact N-O 2.94Å; T244-S246 PolarHBondContact OG1-N 2.72Å; T244-S246 PolarHBondContact OG1-OG 3.43Å; S246-S313 WeakPolarHBondContact CB-OG 3.18Å; S246-S313 WeakPolarHBondContact OG-CB 3.48Å; S246-S313 PolarHBondContact OG-OG 3.4Å
247	M	82.8	Confident	87.5	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.005	12%	0.122	C	C	.	.	S	Bend	trans	-124.1	115.1	-172.3	-166.9	178.5	-157.8	0	0	110.4	L240 G243 T244 T250 L306 L310	L240-M247 HydrophobicContact CB-SD 3.86Å; G243-M247 CarbonylContact C-O 3.56Å; G243-M247 WeakPolarHBondContact CA-O 3.44Å; T244-M247 PolarHBondContact N-O 3.47Å; T244-M247 PolarHBondContact OG1-N 3.07Å; M247-T250 HydrophobicContact CE-CG2 3.62Å; M247-T250 HydrophobicContact CG-CG2 4.43Å; M247-T250 HydrophobicContact SD-CG2 4.22Å; M247-L306 HydrophobicContact CE-CD1 3.43Å; M247-L306 VanDerWaalsContact CE-CD1 3.43Å; M247-L310 HydrophobicContact CE-CB 3.88Å; M247-L310 HydrophobicContact CE-CD1 3.97Å; M247-L310 HydrophobicContact CE-CG 4.39Å; M247-L310 HydrophobicContact SD-CD1 4.04Å
248	P	76.3	Confident	87.7	Confident	19 Å²	19	30.8 Å²	30.8	12%	0.123	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-67.8	160.8	178.4	30.5	-35.3	0	0	0	110.3	F86 T250 I729 L731	F86-P248 VanDerWaalsContact CD2-CD 3.49Å; F86-P248 HydrophobicContact CD2-CG 4.04Å; F86-P248 HydrophobicContact CE2-CG 3.82Å; P248-T250 PolarHBondContact O-N 3.22Å; P248-I729 HydrophobicContact CB-CG2 4.02Å; P248-I729 HydrophobicContact CG-CG2 4.34Å; P248-L731 HydrophobicContact CG-CB 4.37Å; P248-L731 HydrophobicContact CG-CD1 4Å
249	Q	79.2	Confident	88	Confident	59 Å²	59	34.3 Å²	34.3	28%	0.276	17%	0.171	S	C	.	.	P	Polyproline II helix	trans	-52.6	118.4	179	-174.4	-171.7	-48.6	0	0	110.9	Y268	Q249-Y268 PolarHBondContact NE2-OH 3.21Å
250	T	85.5	Confident	88.3	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.012	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-78.2	152.4	-174.9	49	0	0	0	0	113.3	L241 M247 P248 R272 Y298 L306	L241-T250 HydrophobicContact CD2-CG2 3.78Å; L241-T250 WeakPolarHBondContact CD2-OG1 3.34Å; M247-T250 HydrophobicContact CE-CG2 3.62Å; M247-T250 HydrophobicContact CG-CG2 4.43Å; M247-T250 HydrophobicContact SD-CG2 4.22Å; P248-T250 PolarHBondContact O-N 3.22Å; T250-R272 PolarHBondContact O-NH1 2.87Å; T250-R272 PolarHBondContact O-NH2 3.05Å; T250-R272 PolarHBondContact OG1-NH2 2.81Å; T250-R272 VanDerWaalsContact OG1-NH2 3.08Å; T250-Y298 WeakPolarHBondContact CA-OH 3.28Å; T250-L306 HydrophobicContact CG2-CD1 4.4Å
251	K	89.9	Confident	88.5	Confident	68 Å²	68	38.4 Å²	38.4	30%	0.296	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-64.3	137.8	160.1	-62.9	178.1	176.5	176.4	0	108.6	C297 Y298	K251-C297 HydrophobicContact CB-CB 3.95Å; K251-C297 WeakPolarHBondContact CD-O 3.39Å; K251-Y298 HydrophobicContact CB-CD2 4.45Å; K251-Y298 HydrophobicContact CB-CE2 3.72Å; K251-Y298 HydrophobicContact CD-CD1 4.47Å; K251-Y298 HydrophobicContact CD-CE1 4.16Å; K251-Y298 HydrophobicContact CD-CE2 4.47Å; K251-Y298 HydrophobicContact CG-CE1 4.36Å; K251-Y298 HydrophobicContact CG-CE2 4.28Å; K251-Y298 PolarHBondContact N-OH 3.23Å
252	L	92.9	Very high	88.7	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	22%	0.221	C	C	.	.			trans	-114	164.2	173.2	-63	-178.3	0	0	0	109.4	N254 L256 Y257 I260 L276 I294	L252-N254 PolarHBondContact O-N 3.09Å; L252-L256 HydrophobicContact CB-CB 4.49Å; L252-L256 HydrophobicContact CB-CD1 4.27Å; L252-L256 HydrophobicContact CD1-CD1 4.35Å; L252-Y257 HydrophobicContact CB-CE2 3.92Å; L252-Y257 PolarHBondContact N-OH 2.89Å; L252-Y257 WeakPolarHBondContact O-CE2 3.31Å; L252-I260 HydrophobicContact CD1-CD1 4.17Å; L252-L276 HydrophobicContact CD1-CD2 4.01Å; L252-L276 HydrophobicContact CD1-CG 4.49Å; L252-L276 HydrophobicContact CD2-CD2 4.01Å; L252-I294 HydrophobicContact CD2-CG1 4.46Å
253	P	94.7	Very high	88.8	Confident	7 Å²	7	44.6 Å²	44.6	5%	0.045	23%	0.232	C	C	.	.			trans	-53.8	134.9	169.2	-28.1	35.7	0	0	0	112	Y255 L256 W279 E293 C297	P253-Y255 HydrophobicContact CB-CD1 3.76Å; P253-Y255 HydrophobicContact CB-CE1 3.26Å; P253-Y255 HydrophobicContact CB-CE2 4.4Å; P253-Y255 HydrophobicContact CG-CE1 4.22Å; P253-Y255 PolarHBondContact O-N 2.65Å; P253-L256 WeakPolarHBondContact O-CB 3.48Å; P253-L256 PolarHBondContact O-N 3.36Å; P253-W279 HydrophobicContact CG-CH2 4.48Å; P253-W279 HydrophobicContact CG-CZ2 4.12Å; P253-E293 HydrophobicContact CG-CB 3.95Å; P253-C297 VanDerWaalsContact N-SG 3.42Å
254	N	93.2	Very high	89	Confident	135 Å²	135	50.1 Å²	50.1	72%	0.722	26%	0.256	S	S	*	.	H	α-helix	trans	-54	-34.2	-169.1	-74.6	-11.7	0	0	0	113.9	L252 L256 Y257	L252-N254 PolarHBondContact O-N 3.09Å; N254-L256 VanDerWaalsContact C-N 3.26Å; N254-L256 PolarHBondContact O-N 3.1Å; N254-Y257 PolarHBondContact O-N 2.71Å
255	Y	94.6	Very high	88.7	Confident	105 Å²	105	58.3 Å²	58.3	41%	0.412	29%	0.29	S	S	.	.	H	α-helix	trans	-61.9	-30.1	178.6	60	-96.9	0	0	0	113.3	P253 Y257 L258 W279 E293	P253-Y255 HydrophobicContact CB-CD1 3.76Å; P253-Y255 HydrophobicContact CB-CE1 3.26Å; P253-Y255 HydrophobicContact CB-CE2 4.4Å; P253-Y255 HydrophobicContact CG-CE1 4.22Å; P253-Y255 PolarHBondContact O-N 2.65Å; Y255-Y257 VanDerWaalsContact C-N 3.31Å; Y255-Y257 PolarHBondContact O-N 2.94Å; Y255-L258 PolarHBondContact O-N 3.41Å; Y255-W279 AromaticContact CE2-NE1 3.91Å; Y255-W279 AromaticContact CZ-NE1 3.96Å; Y255-W279 PolarHBondContact OH-NE1 3.32Å; Y255-W279 VanDerWaalsContact OH-NE1 3.13Å; Y255-E293 PolarHBondContact OH-OE2 3.46Å
256	L	95.3	Very high	88.6	Confident	3 Å²	3	61.6 Å²	61.6	2%	0.016	30%	0.302	C	S	.	.	H	α-helix	trans	-68.7	-27.8	177.8	-62.9	-175	0	0	0	112.6	L252 P253 N254 L258 I259 I260 T275 W279	L252-L256 HydrophobicContact CB-CB 4.49Å; L252-L256 HydrophobicContact CB-CD1 4.27Å; L252-L256 HydrophobicContact CD1-CD1 4.35Å; P253-L256 WeakPolarHBondContact O-CB 3.48Å; P253-L256 PolarHBondContact O-N 3.36Å; N254-L256 VanDerWaalsContact C-N 3.26Å; N254-L256 PolarHBondContact O-N 3.1Å; L256-L258 VanDerWaalsContact C-N 3.28Å; L256-L258 PolarHBondContact O-N 2.69Å; L256-I259 HydrophobicContact CD2-CD1 4.15Å; L256-I259 PolarHBondContact O-N 3.34Å; L256-I260 VanDerWaalsContact O-CG1 3.31Å; L256-I260 WeakPolarHBondContact O-CG1 3.45Å; L256-I260 PolarHBondContact O-N 3.4Å; L256-T275 HydrophobicContact CB-CG2 4.11Å; L256-T275 HydrophobicContact CD2-CG2 3.97Å; L256-W279 HydrophobicContact CD1-CB 4.48Å; L256-W279 HydrophobicContact CD1-CD2 3.67Å; L256-W279 HydrophobicContact CD1-CE3 3.99Å; L256-W279 HydrophobicContact CD1-CG 3.91Å; L256-W279 HydrophobicContact CD1-CZ2 4.37Å; L256-W279 HydrophobicContact CD1-CZ3 4.47Å; L256-W279 HydrophobicContact CD2-CB 4.21Å; L256-W279 HydrophobicContact CD2-CG 3.93Å
257	Y	94.2	Very high	88.8	Confident	50 Å²	50	63.7 Å²	63.7	20%	0.196	32%	0.317	C	S	.	.	H	α-helix	trans	-68	-28.8	176.8	-70.6	-91.1	0	0	0	112.6	L252 N254 Y255 N261	L252-Y257 HydrophobicContact CB-CE2 3.92Å; L252-Y257 PolarHBondContact N-OH 2.89Å; L252-Y257 WeakPolarHBondContact O-CE2 3.31Å; N254-Y257 PolarHBondContact O-N 2.71Å; Y255-Y257 VanDerWaalsContact C-N 3.31Å; Y255-Y257 PolarHBondContact O-N 2.94Å; Y257-N261 VanDerWaalsContact O-CB 3.3Å; Y257-N261 WeakPolarHBondContact O-CB 3.13Å; Y257-N261 PolarHBondContact O-N 2.93Å; Y257-N261 PolarHBondContact O-ND2 2.69Å; Y257-N261 VanDerWaalsContact O-ND2 3.09Å
258	L	93.5	Very high	89	Confident	125 Å²	125	67.2 Å²	67.2	65%	0.654	33%	0.331	S	S	*	.	H	α-helix	trans	-65	-42.3	172.8	-59.6	176.7	0	0	0	110.7	Y255 L256 N261 S262	Y255-L258 PolarHBondContact O-N 3.41Å; L256-L258 VanDerWaalsContact C-N 3.28Å; L256-L258 PolarHBondContact O-N 2.69Å; L258-N261 PolarHBondContact O-N 3.4Å; L258-S262 PolarHBondContact O-N 3.47Å; L258-S262 PolarHBondContact O-OG 3.34Å
259	I	93.6	Very high	89.4	Confident	78 Å²	78	68.6 Å²	68.6	40%	0.4	34%	0.335	S	S	.	.	H	α-helix	trans	-68.1	-44	177.3	-56.3	173	0	0	0	111.2	L256 N261 S262 I263 T275	L256-I259 HydrophobicContact CD2-CD1 4.15Å; L256-I259 PolarHBondContact O-N 3.34Å; I259-N261 PolarHBondContact O-N 2.84Å; I259-S262 PolarHBondContact O-N 3.01Å; I259-S262 PolarHBondContact O-OG 2.65Å; I259-S262 VanDerWaalsContact O-OG 3.11Å; I259-I263 WeakPolarHBondContact O-CG1 3.23Å; I259-I263 PolarHBondContact O-N 2.67Å; I259-T275 HydrophobicContact CB-CG2 3.99Å; I259-T275 HydrophobicContact CG2-CG2 3.86Å
260	I	93.2	Very high	89.8	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-58.7	-35.9	174.8	-68	167.9	0	0	0	111	L252 L256 Y268 R271 R272 T275	L252-I260 HydrophobicContact CD1-CD1 4.17Å; L256-I260 VanDerWaalsContact O-CG1 3.31Å; L256-I260 WeakPolarHBondContact O-CG1 3.45Å; L256-I260 PolarHBondContact O-N 3.4Å; I260-Y268 HydrophobicContact CG2-CD2 3.99Å; I260-Y268 HydrophobicContact CG2-CE2 3.6Å; I260-R271 HydrophobicContact CG2-CB 4.08Å; I260-R271 WeakPolarHBondContact O-CD 3.12Å; I260-R271 PolarHBondContact O-NE 3.45Å; I260-R271 PolarHBondContact O-NH1 3.42Å; I260-R271 VanDerWaalsContact O-NH1 3.14Å; I260-R272 HydrophobicContact CD1-CB 4.23Å; I260-R272 HydrophobicContact CD1-CG 4.09Å; I260-T275 HydrophobicContact CG1-CG2 3.9Å; I260-T275 VanDerWaalsContact CG1-OG1 3.29Å; I260-T275 WeakPolarHBondContact CG1-OG1 3.35Å
261	N	92.9	Very high	90	Very high	86 Å²	86	68.9 Å²	68.9	46%	0.46	33%	0.334	S	S	.	.	H	α-helix	trans	-81.3	-31	-178.1	-75	-28.9	0	0	0	113.9	Y257 L258 I259 R271	Y257-N261 VanDerWaalsContact O-CB 3.3Å; Y257-N261 WeakPolarHBondContact O-CB 3.13Å; Y257-N261 PolarHBondContact O-N 2.93Å; Y257-N261 PolarHBondContact O-ND2 2.69Å; Y257-N261 VanDerWaalsContact O-ND2 3.09Å; L258-N261 PolarHBondContact O-N 3.4Å; I259-N261 PolarHBondContact O-N 2.84Å; N261-R271 PolarHBondContact O-NH1 3.39Å; N261-R271 VanDerWaalsContact O-NH1 3.1Å
262	S	92.5	Very high	90.1	Very high	89 Å²	89	65.7 Å²	65.7	62%	0.622	32%	0.32	S	S	*	.	H	α-helix	trans	-75	-23.6	180	65.6	0	0	0	0	114	L258 I259 E264	L258-S262 PolarHBondContact O-N 3.47Å; L258-S262 PolarHBondContact O-OG 3.34Å; I259-S262 PolarHBondContact O-N 3.01Å; I259-S262 PolarHBondContact O-OG 2.65Å; I259-S262 VanDerWaalsContact O-OG 3.11Å; S262-E264 PolarHBondContact O-N 3.02Å
263	I	89.2	Confident	89.9	Confident	46 Å²	46	66.5 Å²	66.5	24%	0.236	32%	0.323	C	S	.	.	S	Bend	trans	-67.4	122.6	171.6	-60.3	162.7	0	0	0	108.9	I259 R271 L274	I259-I263 WeakPolarHBondContact O-CG1 3.23Å; I259-I263 PolarHBondContact O-N 2.67Å; I263-R271 HydrophobicContact CB-CB 4.41Å; I263-R271 HydrophobicContact CB-CG 3.98Å; I263-R271 HydrophobicContact CD1-CB 4.44Å; I263-R271 HydrophobicContact CG2-CG 3.76Å; I263-R271 WeakPolarHBondContact O-CD 3.39Å; I263-R271 PolarHBondContact O-NH1 3.13Å; I263-L274 HydrophobicContact CD1-CB 4.45Å
264	E	86.9	Confident	89.6	Confident	127 Å²	127	69 Å²	69	59%	0.593	34%	0.336	S	S	*	.			trans	-88.6	169.2	179.3	-69	-162.7	153.8	0	0	114.2	S262 K266	S262-E264 PolarHBondContact O-N 3.02Å; E264-K266 VanDerWaalsContact C-N 3.26Å; E264-K266 PolarHBondContact O-N 3.37Å
265	K	77.1	Confident	89.6	Confident	191 Å²	191	62.8 Å²	62.8	83%	0.83	30%	0.303	S	S	*	.	S	Bend	trans	56.9	27.3	157.2	-67.2	148.6	-179.5	148.4	0	115.9
266	K	80.4	Confident	89.5	Confident	101 Å²	101	57.8 Å²	57.8	44%	0.439	28%	0.283	S	S	.	.	S	Bend	trans	-139	159.7	179.1	-68	-69.3	-169.5	156.3	0	111.2	E264 F270 R271	E264-K266 VanDerWaalsContact C-N 3.26Å; E264-K266 PolarHBondContact O-N 3.37Å; K266-F270 HydrophobicContact CB-CB 4.21Å; K266-F270 HydrophobicContact CB-CD1 3.61Å; K266-F270 HydrophobicContact CB-CE1 4.32Å; K266-F270 HydrophobicContact CB-CG 4.09Å; K266-F270 HydrophobicContact CD-CD1 3.54Å; K266-F270 HydrophobicContact CD-CD2 4.23Å; K266-F270 HydrophobicContact CD-CE1 3.52Å; K266-F270 HydrophobicContact CD-CE2 4.27Å; K266-F270 HydrophobicContact CD-CG 3.94Å; K266-F270 HydrophobicContact CD-CZ 3.95Å; K266-F270 VanDerWaalsContact CE-CE1 3.47Å; K266-F270 HydrophobicContact CG-CD1 3.5Å; K266-F270 VanDerWaalsContact CG-CD1 3.5Å; K266-F270 HydrophobicContact CG-CE1 3.69Å; K266-F270 HydrophobicContact CG-CG 4.24Å; K266-R271 HydrophobicContact CB-CG 3.81Å
267	S	85.9	Confident	89.2	Confident	45 Å²	45	59.4 Å²	59.4	32%	0.315	29%	0.293	S	S	.	.			trans	-64.1	156.4	175.9	68.3	0	0	0	0	111.7	E5 K269 F270 R271	E5-S267 VanDerWaalsContact OE2-CB 3.26Å; E5-S267 WeakPolarHBondContact OE2-CB 3.45Å; E5-S267 PolarHBondContact OE2-OG 3.46Å; S267-K269 VanDerWaalsContact C-N 3.25Å; S267-K269 PolarHBondContact O-N 3.36Å; S267-F270 PolarHBondContact O-N 3.46Å; S267-F270 WeakPolarHBondContact OG-CB 3.42Å; S267-F270 PolarHBondContact OG-N 2.9Å; S267-F270 VanDerWaalsContact OG-N 3.1Å; S267-R271 WeakPolarHBondContact O-CG 3.13Å; S267-R271 PolarHBondContact O-N 2.95Å
268	Y	87.5	Confident	89	Confident	75 Å²	75	60.5 Å²	60.5	29%	0.294	31%	0.308	S	S	.	.	H	α-helix	trans	-56.1	-40.8	176.9	177.4	-95.4	0	0	0	112.1	Q249 I260 R271 R272	Q249-Y268 PolarHBondContact NE2-OH 3.21Å; I260-Y268 HydrophobicContact CG2-CD2 3.99Å; I260-Y268 HydrophobicContact CG2-CE2 3.6Å; Y268-R271 PolarHBondContact O-N 2.99Å; Y268-R272 HydrophobicContact CE1-CB 4.38Å; Y268-R272 WeakPolarHBondContact O-CB 3.25Å; Y268-R272 PolarHBondContact O-N 3.43Å; Y268-R272 PolarHBondContact OH-NH1 3.47Å
269	K	85.3	Confident	89	Confident	48 Å²	48	54.8 Å²	54.8	21%	0.209	28%	0.278	C	S	.	.	H	α-helix	trans	-67.5	-42.1	178.5	-66.8	-165.4	170.9	-163.6	0	112.9	P4 E5 S267 R271 R272 F273	P4-K269 WeakPolarHBondContact O-CD 3.23Å; E5-K269 HydrophobicContact CB-CB 4.45Å; E5-K269 HydrophobicContact CG-CD 4.36Å; S267-K269 VanDerWaalsContact C-N 3.25Å; S267-K269 PolarHBondContact O-N 3.36Å; K269-R271 VanDerWaalsContact C-N 3.34Å; K269-R271 PolarHBondContact O-N 2.81Å; K269-R272 PolarHBondContact O-N 2.96Å; K269-F273 WeakPolarHBondContact O-CB 3.33Å; K269-F273 PolarHBondContact O-N 2.96Å
270	F	87	Confident	88.9	Confident	23 Å²	23	51.1 Å²	51.1	10%	0.101	26%	0.259	C	S	.	.	H	α-helix	trans	-59	-44.7	173.9	-172.5	-75.1	0	0	0	111.4	I9 K266 S267 F273 L274	I9-F270 HydrophobicContact CG1-CD2 3.78Å; I9-F270 HydrophobicContact CG1-CE2 4.34Å; I9-F270 HydrophobicContact CG2-CE2 4.32Å; K266-F270 HydrophobicContact CB-CB 4.21Å; K266-F270 HydrophobicContact CB-CD1 3.61Å; K266-F270 HydrophobicContact CB-CE1 4.32Å; K266-F270 HydrophobicContact CB-CG 4.09Å; K266-F270 HydrophobicContact CD-CD1 3.54Å; K266-F270 HydrophobicContact CD-CD2 4.23Å; K266-F270 HydrophobicContact CD-CE1 3.52Å; K266-F270 HydrophobicContact CD-CE2 4.27Å; K266-F270 HydrophobicContact CD-CG 3.94Å; K266-F270 HydrophobicContact CD-CZ 3.95Å; K266-F270 VanDerWaalsContact CE-CE1 3.47Å; K266-F270 HydrophobicContact CG-CD1 3.5Å; K266-F270 VanDerWaalsContact CG-CD1 3.5Å; K266-F270 HydrophobicContact CG-CE1 3.69Å; K266-F270 HydrophobicContact CG-CG 4.24Å; S267-F270 PolarHBondContact O-N 3.46Å; S267-F270 WeakPolarHBondContact OG-CB 3.42Å; S267-F270 PolarHBondContact OG-N 2.9Å; S267-F270 VanDerWaalsContact OG-N 3.1Å; F270-F273 PolarHBondContact O-N 2.9Å; F270-L274 HydrophobicContact CD1-CD1 4.09Å; F270-L274 HydrophobicContact CD1-CG 4.27Å; F270-L274 HydrophobicContact CE1-CD1 3.45Å; F270-L274 VanDerWaalsContact CE1-CD1 3.45Å; F270-L274 HydrophobicContact CE1-CG 3.92Å; F270-L274 HydrophobicContact CZ-CD1 4.23Å; F270-L274 PolarHBondContact O-N 3.34Å
271	R	90.8	Very high	88.8	Confident	44 Å²	44	52.4 Å²	52.4	17%	0.166	27%	0.268	C	S	.	.	H	α-helix	trans	-66	-41.2	177.7	-61.9	-168.8	-60.1	160	9.7	112.5	I260 N261 I263 K266 S267 Y268 K269 T275	I260-R271 HydrophobicContact CG2-CB 4.08Å; I260-R271 WeakPolarHBondContact O-CD 3.12Å; I260-R271 PolarHBondContact O-NE 3.45Å; I260-R271 PolarHBondContact O-NH1 3.42Å; I260-R271 VanDerWaalsContact O-NH1 3.14Å; N261-R271 PolarHBondContact O-NH1 3.39Å; N261-R271 VanDerWaalsContact O-NH1 3.1Å; I263-R271 HydrophobicContact CB-CB 4.41Å; I263-R271 HydrophobicContact CB-CG 3.98Å; I263-R271 HydrophobicContact CD1-CB 4.44Å; I263-R271 HydrophobicContact CG2-CG 3.76Å; I263-R271 WeakPolarHBondContact O-CD 3.39Å; I263-R271 PolarHBondContact O-NH1 3.13Å; K266-R271 HydrophobicContact CB-CG 3.81Å; S267-R271 WeakPolarHBondContact O-CG 3.13Å; S267-R271 PolarHBondContact O-N 2.95Å; Y268-R271 PolarHBondContact O-N 2.99Å; K269-R271 VanDerWaalsContact C-N 3.34Å; K269-R271 PolarHBondContact O-N 2.81Å; R271-T275 WeakPolarHBondContact O-CB 3.46Å; R271-T275 PolarHBondContact O-N 2.99Å; R271-T275 PolarHBondContact O-OG1 3.01Å
272	R	90.8	Very high	88.8	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.4	-41.3	174	-172.9	176.9	174.4	102	-0.4	111.8	L241 L242 T250 I260 Y268 K269 T275 L276	L241-R272 VanDerWaalsContact O-CZ 3.24Å; L241-R272 PolarHBondContact O-NE 3.41Å; L241-R272 PolarHBondContact O-NH2 3.38Å; L242-R272 HydrophobicContact CD2-CB 4.19Å; L242-R272 HydrophobicContact CD2-CG 4.07Å; T250-R272 PolarHBondContact O-NH1 2.87Å; T250-R272 PolarHBondContact O-NH2 3.05Å; T250-R272 PolarHBondContact OG1-NH2 2.81Å; T250-R272 VanDerWaalsContact OG1-NH2 3.08Å; I260-R272 HydrophobicContact CD1-CB 4.23Å; I260-R272 HydrophobicContact CD1-CG 4.09Å; Y268-R272 HydrophobicContact CE1-CB 4.38Å; Y268-R272 WeakPolarHBondContact O-CB 3.25Å; Y268-R272 PolarHBondContact O-N 3.43Å; Y268-R272 PolarHBondContact OH-NH1 3.47Å; K269-R272 PolarHBondContact O-N 2.96Å; R272-T275 PolarHBondContact O-N 3.5Å; R272-L276 HydrophobicContact CG-CD1 4.03Å; R272-L276 HydrophobicContact CG-CG 4.49Å; R272-L276 WeakPolarHBondContact O-CB 3.26Å; R272-L276 VanDerWaalsContact O-CG 3.28Å; R272-L276 WeakPolarHBondContact O-CG 3.32Å; R272-L276 PolarHBondContact O-N 3.2Å
273	F	88.8	Confident	88.6	Confident	18 Å²	18	53 Å²	53	8%	0.079	26%	0.258	C	S	.	.	H	α-helix	trans	-61	-53.8	175.6	177.5	-104.7	0	0	0	111.8	L6 I9 L10 I238 L242 K269 F270 T275 L276 V277	L6-F273 HydrophobicContact CD1-CD2 4.21Å; L6-F273 HydrophobicContact CD1-CE2 3.85Å; L6-F273 HydrophobicContact CD1-CZ 4.34Å; I9-F273 HydrophobicContact CD1-CB 3.9Å; I9-F273 HydrophobicContact CD1-CD1 4.16Å; I9-F273 HydrophobicContact CD1-CG 4.01Å; I9-F273 HydrophobicContact CG2-CD1 3.68Å; I9-F273 HydrophobicContact CG2-CE1 3.65Å; I9-F273 HydrophobicContact CG2-CZ 4.47Å; L10-F273 HydrophobicContact CD2-CE1 4.41Å; L10-F273 HydrophobicContact CD2-CZ 4.1Å; I238-F273 HydrophobicContact CG2-CD2 3.74Å; I238-F273 HydrophobicContact CG2-CE2 3.82Å; L242-F273 HydrophobicContact CD1-CB 4.36Å; L242-F273 HydrophobicContact CD1-CD2 4.01Å; L242-F273 HydrophobicContact CD2-CB 3.97Å; K269-F273 WeakPolarHBondContact O-CB 3.33Å; K269-F273 PolarHBondContact O-N 2.96Å; F270-F273 PolarHBondContact O-N 2.9Å; F273-T275 VanDerWaalsContact C-N 3.27Å; F273-T275 PolarHBondContact O-N 2.97Å; F273-L276 PolarHBondContact O-N 2.85Å; F273-L276 VanDerWaalsContact O-N 3.12Å; F273-V277 HydrophobicContact CD1-CG2 4.23Å; F273-V277 HydrophobicContact CD2-CG2 4.19Å; F273-V277 HydrophobicContact CE1-CG2 3.84Å; F273-V277 HydrophobicContact CE2-CG2 3.8Å; F273-V277 HydrophobicContact CG-CG2 4.41Å; F273-V277 HydrophobicContact CZ-CG2 3.62Å; F273-V277 WeakPolarHBondContact O-CG2 2.87Å; F273-V277 PolarHBondContact O-N 3.04Å
274	L	89	Confident	88.4	Confident	61 Å²	61	52.2 Å²	52.2	32%	0.319	26%	0.262	S	S	.	.	H	α-helix	trans	-59.4	-38.9	178.4	-70.4	-169.9	0	0	0	112.5	I263 F270 V277 S278	I263-L274 HydrophobicContact CD1-CB 4.45Å; F270-L274 HydrophobicContact CD1-CD1 4.09Å; F270-L274 HydrophobicContact CD1-CG 4.27Å; F270-L274 HydrophobicContact CE1-CD1 3.45Å; F270-L274 VanDerWaalsContact CE1-CD1 3.45Å; F270-L274 HydrophobicContact CE1-CG 3.92Å; F270-L274 HydrophobicContact CZ-CD1 4.23Å; F270-L274 PolarHBondContact O-N 3.34Å; L274-V277 PolarHBondContact O-N 3.25Å; L274-S278 VanDerWaalsContact O-CB 3.28Å; L274-S278 WeakPolarHBondContact O-CB 3.34Å; L274-S278 PolarHBondContact O-N 3.2Å
275	T	92.6	Very high	88.2	Confident	3 Å²	3	51.3 Å²	51.3	2%	0.018	27%	0.265	C	S	.	.	H	α-helix	trans	-65.5	-42.6	176.2	-53.5	0	0	0	0	111.6	L256 I259 I260 R271 R272 F273 S278 W279	L256-T275 HydrophobicContact CB-CG2 4.11Å; L256-T275 HydrophobicContact CD2-CG2 3.97Å; I259-T275 HydrophobicContact CB-CG2 3.99Å; I259-T275 HydrophobicContact CG2-CG2 3.86Å; I260-T275 HydrophobicContact CG1-CG2 3.9Å; I260-T275 VanDerWaalsContact CG1-OG1 3.29Å; I260-T275 WeakPolarHBondContact CG1-OG1 3.35Å; R271-T275 WeakPolarHBondContact O-CB 3.46Å; R271-T275 PolarHBondContact O-N 2.99Å; R271-T275 PolarHBondContact O-OG1 3.01Å; R272-T275 PolarHBondContact O-N 3.5Å; F273-T275 VanDerWaalsContact C-N 3.27Å; F273-T275 PolarHBondContact O-N 2.97Å; T275-S278 PolarHBondContact O-N 2.89Å; T275-W279 WeakPolarHBondContact O-CB 3.21Å; T275-W279 PolarHBondContact O-N 3.47Å
276	L	92.3	Very high	88.6	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.7	-42.9	175.8	-73.9	168.6	0	0	0	111.7	I238 L241 L242 L252 R272 F273 W279 F280	I238-L276 HydrophobicContact CG1-CB 4.37Å; I238-L276 HydrophobicContact CG2-CB 3.94Å; I238-L276 HydrophobicContact CG2-CD1 4.36Å; L241-L276 HydrophobicContact CB-CD1 3.94Å; L241-L276 HydrophobicContact CB-CD2 4.29Å; L241-L276 HydrophobicContact CD1-CD2 4.33Å; L242-L276 HydrophobicContact CD2-CD1 4.1Å; L242-L276 HydrophobicContact CG-CD1 4.47Å; L252-L276 HydrophobicContact CD1-CD2 4.01Å; L252-L276 HydrophobicContact CD1-CG 4.49Å; L252-L276 HydrophobicContact CD2-CD2 4.01Å; R272-L276 HydrophobicContact CG-CD1 4.03Å; R272-L276 HydrophobicContact CG-CG 4.49Å; R272-L276 WeakPolarHBondContact O-CB 3.26Å; R272-L276 VanDerWaalsContact O-CG 3.28Å; R272-L276 WeakPolarHBondContact O-CG 3.32Å; R272-L276 PolarHBondContact O-N 3.2Å; F273-L276 PolarHBondContact O-N 2.85Å; F273-L276 VanDerWaalsContact O-N 3.12Å; L276-W279 HydrophobicContact CD2-CE3 4.31Å; L276-W279 PolarHBondContact O-N 2.92Å; L276-F280 HydrophobicContact CD2-CE2 4.22Å; L276-F280 WeakPolarHBondContact O-CB 3.49Å; L276-F280 WeakPolarHBondContact O-CD2 3.38Å; L276-F280 PolarHBondContact O-N 3.45Å
277	V	89.5	Confident	88.8	Confident	38 Å²	38	41 Å²	41	23%	0.23	23%	0.225	C	C	.	.	H	α-helix	trans	-60.2	-50.5	175.3	171	0	0	0	0	110.7	V230 I238 F273 L274 W279 S281	V230-V277 HydrophobicContact CG2-CB 4.31Å; V230-V277 HydrophobicContact CG2-CG1 3.9Å; V230-V277 WeakPolarHBondContact CG2-O 3.44Å; I238-V277 HydrophobicContact CD1-CG2 3.96Å; I238-V277 HydrophobicContact CG2-CG2 4.45Å; F273-V277 HydrophobicContact CD1-CG2 4.23Å; F273-V277 HydrophobicContact CD2-CG2 4.19Å; F273-V277 HydrophobicContact CE1-CG2 3.84Å; F273-V277 HydrophobicContact CE2-CG2 3.8Å; F273-V277 HydrophobicContact CG-CG2 4.41Å; F273-V277 HydrophobicContact CZ-CG2 3.62Å; F273-V277 WeakPolarHBondContact O-CG2 2.87Å; F273-V277 PolarHBondContact O-N 3.04Å; L274-V277 PolarHBondContact O-N 3.25Å; V277-W279 PolarHBondContact O-N 2.05Å; V277-S281 WeakPolarHBondContact O-CB 3.44Å; V277-S281 PolarHBondContact O-N 3.47Å; V277-S281 VanDerWaalsContact O-N 3.08Å; V277-S281 PolarHBondContact O-OG 3.29Å; V277-S281 VanDerWaalsContact O-OG 3.12Å
278	S	90.7	Very high	88.9	Confident	73 Å²	73	41 Å²	41	51%	0.51	22%	0.22	S	C	.	.	H	α-helix	trans	-69.4	-10.8	179.3	-171.8	0	0	0	0	114.5	L274 T275 S281 Q282	L274-S278 VanDerWaalsContact O-CB 3.28Å; L274-S278 WeakPolarHBondContact O-CB 3.34Å; L274-S278 PolarHBondContact O-N 3.2Å; T275-S278 PolarHBondContact O-N 2.89Å; S278-S281 WeakPolarHBondContact CA-OG 3.21Å; S278-S281 PolarHBondContact O-OG 2.97Å; S278-S281 VanDerWaalsContact O-OG 3.05Å; S278-Q282 PolarHBondContact O-NE2 3.41Å
279	W	93.5	Very high	89	Confident	4 Å²	4	40.4 Å²	40.4	2%	0.015	22%	0.224	C	C	.	.	H	α-helix	trans	-97.2	-51.6	175.7	-179.1	62.9	0	0	0	111.1	P253 Y255 L256 T275 L276 V277 S281 Q282 F283 P290 E293 I294	P253-W279 HydrophobicContact CG-CH2 4.48Å; P253-W279 HydrophobicContact CG-CZ2 4.12Å; Y255-W279 AromaticContact CE2-NE1 3.91Å; Y255-W279 AromaticContact CZ-NE1 3.96Å; Y255-W279 PolarHBondContact OH-NE1 3.32Å; Y255-W279 VanDerWaalsContact OH-NE1 3.13Å; L256-W279 HydrophobicContact CD1-CB 4.48Å; L256-W279 HydrophobicContact CD1-CD2 3.67Å; L256-W279 HydrophobicContact CD1-CE3 3.99Å; L256-W279 HydrophobicContact CD1-CG 3.91Å; L256-W279 HydrophobicContact CD1-CZ2 4.37Å; L256-W279 HydrophobicContact CD1-CZ3 4.47Å; L256-W279 HydrophobicContact CD2-CB 4.21Å; L256-W279 HydrophobicContact CD2-CG 3.93Å; T275-W279 WeakPolarHBondContact O-CB 3.21Å; T275-W279 PolarHBondContact O-N 3.47Å; L276-W279 HydrophobicContact CD2-CE3 4.31Å; L276-W279 PolarHBondContact O-N 2.92Å; V277-W279 PolarHBondContact O-N 2.05Å; W279-S281 PolarHBondContact O-N 3.34Å; W279-S281 VanDerWaalsContact O-N 3.16Å; W279-Q282 VanDerWaalsContact O-CB 3.32Å; W279-Q282 WeakPolarHBondContact O-CB 3.1Å; W279-Q282 WeakPolarHBondContact O-CG 3.3Å; W279-Q282 PolarHBondContact O-N 3.14Å; W279-F283 AromaticContact CD1-CE2 3.99Å; W279-F283 HydrophobicContact CD2-CE2 4.01Å; W279-F283 AromaticContact CE2-CE2 3.77Å; W279-F283 AromaticContact CE2-CZ 3.94Å; W279-F283 HydrophobicContact CG-CE2 4.19Å; W279-F283 HydrophobicContact CZ2-CE2 4.25Å; W279-F283 HydrophobicContact CZ2-CZ 4.21Å; W279-F283 AromaticContact NE1-CE2 3.76Å; W279-F283 AromaticContact NE1-CZ 3.74Å; W279-F283 VanDerWaalsContact O-CD2 3.31Å; W279-F283 WeakPolarHBondContact O-CD2 3.33Å; W279-F283 VanDerWaalsContact O-CE2 3.27Å; W279-F283 WeakPolarHBondContact O-CE2 3.16Å; W279-P290 HydrophobicContact CE3-CB 4.49Å; W279-P290 HydrophobicContact CH2-CB 3.6Å; W279-P290 WeakPolarHBondContact CH2-O 3.32Å; W279-P290 HydrophobicContact CZ2-CB 4.1Å; W279-P290 HydrophobicContact CZ3-CB 3.82Å; W279-E293 HydrophobicContact CH2-CB 4.22Å; W279-E293 HydrophobicContact CZ2-CB 3.93Å; W279-E293 HydrophobicContact CZ2-CG 4.4Å; W279-I294 HydrophobicContact CH2-CD1 4.13Å; W279-I294 HydrophobicContact CH2-CG1 4.05Å; W279-I294 HydrophobicContact CZ3-CD1 4.08Å; W279-I294 HydrophobicContact CZ3-CG1 4.41Å
280	F	91.9	Very high	89.4	Confident	1 Å²	1	38.1 Å²	38.1	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-60.1	-26.5	175.6	-88.5	-81.4	0	0	0	113	V230 C234 L237 I238 L241 L276 Q282 F283 P290	V230-F280 HydrophobicContact CG1-CB 4.19Å; V230-F280 HydrophobicContact CG2-CB 3.99Å; C234-F280 HydrophobicContact CB-CD1 3.81Å; C234-F280 HydrophobicContact CB-CE1 4.36Å; L237-F280 HydrophobicContact CB-CE1 4.18Å; L237-F280 HydrophobicContact CB-CZ 3.91Å; L237-F280 HydrophobicContact CD1-CE1 3.79Å; L237-F280 HydrophobicContact CD1-CZ 4.19Å; I238-F280 HydrophobicContact CD1-CB 4.05Å; I238-F280 HydrophobicContact CD1-CD2 4.14Å; I238-F280 HydrophobicContact CD1-CG 4.28Å; I238-F280 HydrophobicContact CG1-CB 4.37Å; I238-F280 HydrophobicContact CG1-CD2 3.58Å; I238-F280 HydrophobicContact CG1-CE2 4.08Å; I238-F280 HydrophobicContact CG1-CG 4.06Å; L241-F280 HydrophobicContact CD1-CE2 3.58Å; L241-F280 HydrophobicContact CD1-CZ 3.69Å; L276-F280 HydrophobicContact CD2-CE2 4.22Å; L276-F280 WeakPolarHBondContact O-CB 3.49Å; L276-F280 WeakPolarHBondContact O-CD2 3.38Å; L276-F280 PolarHBondContact O-N 3.45Å; F280-Q282 PolarHBondContact O-N 3.5Å; F280-F283 PolarHBondContact O-N 3.39Å; F280-P290 HydrophobicContact CD1-CB 4.2Å; F280-P290 HydrophobicContact CD1-CG 4.02Å; F280-P290 HydrophobicContact CE1-CB 3.69Å; F280-P290 HydrophobicContact CE1-CG 3.63Å; F280-P290 HydrophobicContact CZ-CB 4.05Å; F280-P290 HydrophobicContact CZ-CG 4.43Å
281	S	90.4	Very high	89.6	Confident	28 Å²	28	37.1 Å²	37.1	20%	0.196	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-17.6	172.6	55.9	0	0	0	0	115.1	S229 V277 S278 W279	S229-S281 WeakPolarHBondContact OG-CB 3.4Å; V277-S281 WeakPolarHBondContact O-CB 3.44Å; V277-S281 PolarHBondContact O-N 3.47Å; V277-S281 VanDerWaalsContact O-N 3.08Å; V277-S281 PolarHBondContact O-OG 3.29Å; V277-S281 VanDerWaalsContact O-OG 3.12Å; S278-S281 WeakPolarHBondContact CA-OG 3.21Å; S278-S281 PolarHBondContact O-OG 2.97Å; S278-S281 VanDerWaalsContact O-OG 3.05Å; W279-S281 PolarHBondContact O-N 3.34Å; W279-S281 VanDerWaalsContact O-N 3.16Å
282	Q	91.9	Very high	89.6	Confident	139 Å²	139	37.4 Å²	37.4	65%	0.65	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-18.2	-176.2	-57.4	175.8	28.7	0	0	112.7	S278 W279 F280	S278-Q282 PolarHBondContact O-NE2 3.41Å; W279-Q282 VanDerWaalsContact O-CB 3.32Å; W279-Q282 WeakPolarHBondContact O-CB 3.1Å; W279-Q282 WeakPolarHBondContact O-CG 3.3Å; W279-Q282 PolarHBondContact O-N 3.14Å; F280-Q282 PolarHBondContact O-N 3.5Å
283	F	90.3	Very high	89.8	Confident	47 Å²	47	39.3 Å²	39.3	21%	0.206	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-12.5	-174.9	-53.2	-82.7	0	0	0	113.6	W279 F280 T285 D286 T289 P290	W279-F283 AromaticContact CD1-CE2 3.99Å; W279-F283 HydrophobicContact CD2-CE2 4.01Å; W279-F283 AromaticContact CE2-CE2 3.77Å; W279-F283 AromaticContact CE2-CZ 3.94Å; W279-F283 HydrophobicContact CG-CE2 4.19Å; W279-F283 HydrophobicContact CZ2-CE2 4.25Å; W279-F283 HydrophobicContact CZ2-CZ 4.21Å; W279-F283 AromaticContact NE1-CE2 3.76Å; W279-F283 AromaticContact NE1-CZ 3.74Å; W279-F283 VanDerWaalsContact O-CD2 3.31Å; W279-F283 WeakPolarHBondContact O-CD2 3.33Å; W279-F283 VanDerWaalsContact O-CE2 3.27Å; W279-F283 WeakPolarHBondContact O-CE2 3.16Å; F280-F283 PolarHBondContact O-N 3.39Å; F283-T285 PolarHBondContact O-N 3.34Å; F283-T285 VanDerWaalsContact O-N 3.14Å; F283-D286 HydrophobicContact CB-CB 4.27Å; F283-D286 WeakPolarHBondContact CB-O 3.46Å; F283-D286 WeakPolarHBondContact O-CB 3.23Å; F283-D286 PolarHBondContact O-N 3.16Å; F283-T289 HydrophobicContact CD1-CG2 3.98Å; F283-T289 HydrophobicContact CE1-CG2 3.59Å; F283-P290 HydrophobicContact CD2-CB 4.03Å; F283-P290 HydrophobicContact CD2-CG 3.98Å; F283-P290 HydrophobicContact CE2-CB 3.88Å; F283-P290 HydrophobicContact CE2-CG 4.34Å; F283-P290 HydrophobicContact CG-CG 4.12Å; F283-P290 HydrophobicContact CZ-CB 4.27Å
284	G	84.3	Confident	90	Very high	31 Å²	31	38.7 Å²	38.7	32%	0.32	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	-116.4	-179.1	0	0	0	0	0	112	H231	H231-G284 WeakPolarHBondContact CB-O 3.11Å
285	T	81.6	Confident	90.1	Very high	108 Å²	108	36.4 Å²	36.4	66%	0.663	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-16.5	177.8	48.2	0	0	0	0	114	F283 S287	F283-T285 PolarHBondContact O-N 3.34Å; F283-T285 VanDerWaalsContact O-N 3.14Å; T285-S287 PolarHBondContact O-N 2.99Å
286	D	86.7	Confident	90.1	Very high	59 Å²	59	42.6 Å²	42.6	32%	0.316	24%	0.235	S	C	.	.			trans	-73.8	111.7	176.9	-179.3	13.1	0	0	0	110.6	F283 Q288 T289	F283-D286 HydrophobicContact CB-CB 4.27Å; F283-D286 WeakPolarHBondContact CB-O 3.46Å; F283-D286 WeakPolarHBondContact O-CB 3.23Å; F283-D286 PolarHBondContact O-N 3.16Å; D286-Q288 WeakPolarHBondContact OD1-CA 3.22Å; D286-Q288 PolarHBondContact OD1-N 3.48Å; D286-T289 PolarHBondContact OD1-N 3.16Å; D286-T289 VanDerWaalsContact OD1-N 3.14Å; D286-T289 WeakPolarHBondContact OD2-CB 3.11Å; D286-T289 PolarHBondContact OD2-OG1 3.07Å
287	S	83.6	Confident	90.1	Very high	15 Å²	15	44.2 Å²	44.2	11%	0.105	25%	0.246	C	C	.	.			trans	-102.6	-9.8	174.1	39.1	0	0	0	0	112.6	T285 I291	T285-S287 PolarHBondContact O-N 2.99Å; S287-I291 WeakPolarHBondContact O-CD1 3.28Å; S287-I291 WeakPolarHBondContact O-CG1 3.32Å
288	Q	87.9	Confident	90.2	Very high	47 Å²	47	43 Å²	43	22%	0.22	24%	0.238	C	C	.	.	H	α-helix	trans	-81.3	-47.7	-177.1	-172.2	61	47.7	0	0	111.4	D286 I291 D292	D286-Q288 WeakPolarHBondContact OD1-CA 3.22Å; D286-Q288 PolarHBondContact OD1-N 3.48Å; Q288-I291 WeakPolarHBondContact O-CA 3.33Å; Q288-I291 WeakPolarHBondContact O-CB 3.5Å; Q288-I291 PolarHBondContact O-N 3.32Å; Q288-D292 VanDerWaalsContact NE2-CG 3.32Å; Q288-D292 PolarHBondContact NE2-OD1 3.1Å; Q288-D292 PolarHBondContact NE2-OD2 3.34Å; Q288-D292 PolarHBondContact O-N 2.73Å
289	T	91.3	Very high	90.1	Very high	61 Å²	61	42.1 Å²	42.1	37%	0.374	23%	0.232	S	C	.	.	H	α-helix	trans	-55.3	-49	178.9	-61.8	0	0	0	0	113.9	F283 D286 I291 D292 E293	F283-T289 HydrophobicContact CD1-CG2 3.98Å; F283-T289 HydrophobicContact CE1-CG2 3.59Å; D286-T289 PolarHBondContact OD1-N 3.16Å; D286-T289 VanDerWaalsContact OD1-N 3.14Å; D286-T289 WeakPolarHBondContact OD2-CB 3.11Å; D286-T289 PolarHBondContact OD2-OG1 3.07Å; T289-I291 VanDerWaalsContact C-N 3.28Å; T289-I291 PolarHBondContact O-N 3.16Å; T289-D292 PolarHBondContact O-N 3.34Å; T289-E293 PolarHBondContact O-N 2.72Å
290	P	92	Very high	89.6	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.3	-30.2	176.9	23.4	-32.7	0	0	0	112.8	W279 F280 F283 I294	W279-P290 HydrophobicContact CE3-CB 4.49Å; W279-P290 HydrophobicContact CH2-CB 3.6Å; W279-P290 WeakPolarHBondContact CH2-O 3.32Å; W279-P290 HydrophobicContact CZ2-CB 4.1Å; W279-P290 HydrophobicContact CZ3-CB 3.82Å; F280-P290 HydrophobicContact CD1-CB 4.2Å; F280-P290 HydrophobicContact CD1-CG 4.02Å; F280-P290 HydrophobicContact CE1-CB 3.69Å; F280-P290 HydrophobicContact CE1-CG 3.63Å; F280-P290 HydrophobicContact CZ-CB 4.05Å; F280-P290 HydrophobicContact CZ-CG 4.43Å; F283-P290 HydrophobicContact CD2-CB 4.03Å; F283-P290 HydrophobicContact CD2-CG 3.98Å; F283-P290 HydrophobicContact CE2-CB 3.88Å; F283-P290 HydrophobicContact CE2-CG 4.34Å; F283-P290 HydrophobicContact CG-CG 4.12Å; F283-P290 HydrophobicContact CZ-CB 4.27Å; P290-I294 VanDerWaalsContact O-CD1 3.32Å; P290-I294 WeakPolarHBondContact O-CD1 3.41Å; P290-I294 VanDerWaalsContact O-CG1 3.31Å; P290-I294 WeakPolarHBondContact O-CG1 3.5Å; P290-I294 PolarHBondContact O-N 2.97Å; P290-I294 VanDerWaalsContact O-N 3.15Å
291	I	90.9	Very high	89	Confident	3 Å²	3	54.1 Å²	54.1	2%	0.015	30%	0.295	C	S	.	.	H	α-helix	trans	-68.3	-44.3	173.4	-70.6	171.6	0	0	0	110.5	L237 S287 Q288 T289 E293 I294 L295 L310 L368 L372	L237-I291 HydrophobicContact CD1-CD1 4.02Å; L237-I291 HydrophobicContact CD1-CG1 4.31Å; L237-I291 HydrophobicContact CD2-CD1 4.25Å; S287-I291 WeakPolarHBondContact O-CD1 3.28Å; S287-I291 WeakPolarHBondContact O-CG1 3.32Å; Q288-I291 WeakPolarHBondContact O-CA 3.33Å; Q288-I291 WeakPolarHBondContact O-CB 3.5Å; Q288-I291 PolarHBondContact O-N 3.32Å; T289-I291 VanDerWaalsContact C-N 3.28Å; T289-I291 PolarHBondContact O-N 3.16Å; I291-E293 VanDerWaalsContact C-N 3.34Å; I291-E293 PolarHBondContact O-N 2.94Å; I291-I294 WeakPolarHBondContact O-CB 3.44Å; I291-I294 PolarHBondContact O-N 3.18Å; I291-I294 VanDerWaalsContact O-N 3.11Å; I291-L295 HydrophobicContact CG2-CD1 3.99Å; I291-L295 HydrophobicContact CG2-CG 4.33Å; I291-L295 WeakPolarHBondContact O-CG 3.44Å; I291-L295 PolarHBondContact O-N 3.4Å; I291-L310 HydrophobicContact CG2-CD2 4.5Å; I291-L368 HydrophobicContact CD1-CD1 4.48Å; I291-L368 HydrophobicContact CD1-CD2 4.04Å; I291-L368 HydrophobicContact CD1-CG 4.19Å; I291-L368 HydrophobicContact CG2-CD2 3.96Å; I291-L372 HydrophobicContact CD1-CD1 3.53Å
292	D	92	Very high	88.8	Confident	49 Å²	49	55.2 Å²	55.2	26%	0.262	30%	0.297	S	S	.	.	H	α-helix	trans	-65.8	-36	178.7	-69.5	-23.9	0	0	0	112.1	Q288 T289 I294 L295 K296 Q365	Q288-D292 VanDerWaalsContact NE2-CG 3.32Å; Q288-D292 PolarHBondContact NE2-OD1 3.1Å; Q288-D292 PolarHBondContact NE2-OD2 3.34Å; Q288-D292 PolarHBondContact O-N 2.73Å; T289-D292 PolarHBondContact O-N 3.34Å; D292-I294 VanDerWaalsContact C-N 3.35Å; D292-L295 PolarHBondContact O-N 2.89Å; D292-K296 VanDerWaalsContact O-CG 3.29Å; D292-K296 WeakPolarHBondContact O-CG 3.27Å; D292-K296 PolarHBondContact O-N 2.86Å; D292-Q365 PolarHBondContact OD1-NE2 2.89Å
293	E	94.1	Very high	88.7	Confident	41 Å²	41	52.9 Å²	52.9	19%	0.192	28%	0.283	C	S	.	.	H	α-helix	trans	-59.5	-41.6	169.2	-78.1	-66.2	106.1	0	0	112.6	P253 Y255 W279 T289 I291 K296 C297	P253-E293 HydrophobicContact CG-CB 3.95Å; Y255-E293 PolarHBondContact OH-OE2 3.46Å; W279-E293 HydrophobicContact CH2-CB 4.22Å; W279-E293 HydrophobicContact CZ2-CB 3.93Å; W279-E293 HydrophobicContact CZ2-CG 4.4Å; T289-E293 PolarHBondContact O-N 2.72Å; I291-E293 VanDerWaalsContact C-N 3.34Å; I291-E293 PolarHBondContact O-N 2.94Å; E293-K296 PolarHBondContact O-N 3.29Å; E293-K296 WeakPolarHBondContact OE1-CD 3.41Å; E293-K296 WeakPolarHBondContact OE1-CE 3.48Å; E293-K296 IonicContact OE1-NZ 2.66Å; E293-K296 PolarHBondContact OE1-NZ 2.88Å; E293-C297 PolarHBondContact O-SG 3.35Å
294	I	92.7	Very high	88.4	Confident	5 Å²	5	50.7 Å²	50.7	3%	0.026	27%	0.273	C	S	.	.	H	α-helix	trans	-67.2	-42.4	174.2	-67.8	157.8	0	0	0	110.6	L241 L252 W279 P290 I291 D292 K296 C297 Y298 L306	L241-I294 HydrophobicContact CD1-CD1 3.52Å; L241-I294 HydrophobicContact CD2-CD1 3.78Å; L241-I294 HydrophobicContact CG-CD1 4.32Å; L252-I294 HydrophobicContact CD2-CG1 4.46Å; W279-I294 HydrophobicContact CH2-CD1 4.13Å; W279-I294 HydrophobicContact CH2-CG1 4.05Å; W279-I294 HydrophobicContact CZ3-CD1 4.08Å; W279-I294 HydrophobicContact CZ3-CG1 4.41Å; P290-I294 VanDerWaalsContact O-CD1 3.32Å; P290-I294 WeakPolarHBondContact O-CD1 3.41Å; P290-I294 VanDerWaalsContact O-CG1 3.31Å; P290-I294 WeakPolarHBondContact O-CG1 3.5Å; P290-I294 PolarHBondContact O-N 2.97Å; P290-I294 VanDerWaalsContact O-N 3.15Å; I291-I294 WeakPolarHBondContact O-CB 3.44Å; I291-I294 PolarHBondContact O-N 3.18Å; I291-I294 VanDerWaalsContact O-N 3.11Å; D292-I294 VanDerWaalsContact C-N 3.35Å; I294-K296 VanDerWaalsContact C-N 3.3Å; I294-K296 PolarHBondContact O-N 3.49Å; I294-C297 VanDerWaalsContact O-CB 3.26Å; I294-C297 WeakPolarHBondContact O-CB 3.47Å; I294-C297 PolarHBondContact O-N 3.21Å; I294-Y298 HydrophobicContact CG2-CE2 4.43Å; I294-Y298 WeakPolarHBondContact O-CD2 3.33Å; I294-L306 HydrophobicContact CG2-CD2 4.39Å
295	L	91.4	Very high	88.5	Confident	12 Å²	12	53.2 Å²	53.2	6%	0.063	28%	0.275	C	S	.	.	H	α-helix	trans	-63.5	-33.4	178.7	-67	171.1	0	0	0	112.5	I291 D292 C297 Y298 R303 L306 L307	I291-L295 HydrophobicContact CG2-CD1 3.99Å; I291-L295 HydrophobicContact CG2-CG 4.33Å; I291-L295 WeakPolarHBondContact O-CG 3.44Å; I291-L295 PolarHBondContact O-N 3.4Å; D292-L295 PolarHBondContact O-N 2.89Å; L295-C297 PolarHBondContact O-N 3.3Å; L295-Y298 PolarHBondContact O-N 3.07Å; L295-Y298 VanDerWaalsContact O-N 3.16Å; L295-R303 HydrophobicContact CB-CG 4.37Å; L295-R303 HydrophobicContact CD2-CB 4.35Å; L295-R303 HydrophobicContact CD2-CG 4.22Å; L295-R303 PolarHBondContact O-NE 3.2Å; L295-R303 PolarHBondContact O-NH2 3.42Å; L295-L306 HydrophobicContact CD2-CD2 4.15Å; L295-L307 HydrophobicContact CD1-CD1 4.44Å; L295-L307 HydrophobicContact CD1-CD2 3.97Å; L295-L307 HydrophobicContact CD1-CG 4.32Å; L295-L307 HydrophobicContact CD2-CD1 4.44Å; L295-L307 HydrophobicContact CD2-CD2 4.1Å; L295-L307 HydrophobicContact CD2-CG 3.84Å
296	K	92.7	Very high	88.7	Confident	133 Å²	133	48.3 Å²	48.3	58%	0.578	25%	0.245	S	C	*	.	H	α-helix	trans	-59.1	-28.7	172.5	-71.8	166.9	-159.4	174.3	0	112.7	D292 E293 I294 Y298	D292-K296 VanDerWaalsContact O-CG 3.29Å; D292-K296 WeakPolarHBondContact O-CG 3.27Å; D292-K296 PolarHBondContact O-N 2.86Å; E293-K296 PolarHBondContact O-N 3.29Å; E293-K296 WeakPolarHBondContact OE1-CD 3.41Å; E293-K296 WeakPolarHBondContact OE1-CE 3.48Å; E293-K296 IonicContact OE1-NZ 2.66Å; E293-K296 PolarHBondContact OE1-NZ 2.88Å; I294-K296 VanDerWaalsContact C-N 3.3Å; I294-K296 PolarHBondContact O-N 3.49Å; K296-Y298 PolarHBondContact O-N 3.37Å
297	C	92.5	Very high	88.8	Confident	34 Å²	34	45.6 Å²	45.6	23%	0.23	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-2.1	179	-55.4	0	0	0	0	114.4	K251 P253 E293 I294 L295	K251-C297 HydrophobicContact CB-CB 3.95Å; K251-C297 WeakPolarHBondContact CD-O 3.39Å; P253-C297 VanDerWaalsContact N-SG 3.42Å; E293-C297 PolarHBondContact O-SG 3.35Å; I294-C297 VanDerWaalsContact O-CB 3.26Å; I294-C297 WeakPolarHBondContact O-CB 3.47Å; I294-C297 PolarHBondContact O-N 3.21Å; L295-C297 PolarHBondContact O-N 3.3Å
298	Y	90.8	Very high	88.9	Confident	13 Å²	13	47 Å²	47	5%	0.051	23%	0.234	C	C	.	.	S	Bend	trans	-125.3	151	-179.2	-72.2	-93.9	0	0	0	111.4	T250 K251 I294 L295 K296 E302 R303 L306	T250-Y298 WeakPolarHBondContact CA-OH 3.28Å; K251-Y298 HydrophobicContact CB-CD2 4.45Å; K251-Y298 HydrophobicContact CB-CE2 3.72Å; K251-Y298 HydrophobicContact CD-CD1 4.47Å; K251-Y298 HydrophobicContact CD-CE1 4.16Å; K251-Y298 HydrophobicContact CD-CE2 4.47Å; K251-Y298 HydrophobicContact CG-CE1 4.36Å; K251-Y298 HydrophobicContact CG-CE2 4.28Å; K251-Y298 PolarHBondContact N-OH 3.23Å; I294-Y298 HydrophobicContact CG2-CE2 4.43Å; I294-Y298 WeakPolarHBondContact O-CD2 3.33Å; L295-Y298 PolarHBondContact O-N 3.07Å; L295-Y298 VanDerWaalsContact O-N 3.16Å; K296-Y298 PolarHBondContact O-N 3.37Å; Y298-E302 HydrophobicContact CD1-CB 4.01Å; Y298-R303 PolarHBondContact O-NE 3.02Å; Y298-R303 PolarHBondContact O-NH2 3.32Å; Y298-L306 HydrophobicContact CD1-CD2 4.26Å; Y298-L306 HydrophobicContact CD2-CD2 3.32Å; Y298-L306 HydrophobicContact CE1-CD2 4.32Å; Y298-L306 HydrophobicContact CE2-CD2 3.4Å; Y298-L306 VanDerWaalsContact CE2-CD2 3.4Å; Y298-L306 HydrophobicContact CG-CD2 3.77Å
299	S	89	Confident	88.8	Confident	55 Å²	55	45.3 Å²	45.3	39%	0.385	23%	0.227	S	C	.	.			trans	-68.4	159.6	175.5	71.3	0	0	0	0	111.7	K301 E302 R303	S299-K301 PolarHBondContact O-N 3.09Å; S299-K301 VanDerWaalsContact O-N 3.15Å; S299-E302 VanDerWaalsContact CB-OE2 3.22Å; S299-E302 WeakPolarHBondContact CB-OE2 3.41Å; S299-E302 PolarHBondContact N-OE2 2.88Å; S299-E302 PolarHBondContact O-N 2.94Å; S299-E302 WeakPolarHBondContact OG-CG 3.26Å; S299-E302 PolarHBondContact OG-OE2 2.96Å; S299-R303 WeakPolarHBondContact O-CG 3.48Å; S299-R303 PolarHBondContact O-N 3.33Å; S299-R303 VanDerWaalsContact O-N 3.13Å
300	S	83.4	Confident	88.6	Confident	90 Å²	90	42.7 Å²	42.7	63%	0.629	21%	0.211	S	C	*	.	H	α-helix	trans	-54.4	-34.2	176.9	50	0	0	0	0	113.1	E302	S300-E302 VanDerWaalsContact C-N 3.3Å; S300-E302 PolarHBondContact O-N 3.48Å
301	K	79.8	Confident	88.3	Confident	166 Å²	166	42.7 Å²	42.7	72%	0.722	21%	0.211	S	C	*	.	H	α-helix	trans	-72.5	-15.5	176.9	-63.6	-174.9	178.1	-176.3	0	114.4	S299 N356	S299-K301 PolarHBondContact O-N 3.09Å; S299-K301 VanDerWaalsContact O-N 3.15Å; K301-N356 PolarHBondContact O-ND2 3.09Å; K301-N356 PolarHBondContact O-OD1 3.35Å
302	E	85.9	Confident	88	Confident	52 Å²	52	44 Å²	44	24%	0.243	22%	0.216	C	C	.	.	H	α-helix	trans	-102.1	-28.2	179.5	-68.7	163.8	109.9	0	0	112.6	Y298 S299 S300 G304 K305 L306	Y298-E302 HydrophobicContact CD1-CB 4.01Å; S299-E302 VanDerWaalsContact CB-OE2 3.22Å; S299-E302 WeakPolarHBondContact CB-OE2 3.41Å; S299-E302 PolarHBondContact N-OE2 2.88Å; S299-E302 PolarHBondContact O-N 2.94Å; S299-E302 WeakPolarHBondContact OG-CG 3.26Å; S299-E302 PolarHBondContact OG-OE2 2.96Å; S300-E302 VanDerWaalsContact C-N 3.3Å; S300-E302 PolarHBondContact O-N 3.48Å; E302-G304 VanDerWaalsContact C-N 3.34Å; E302-G304 PolarHBondContact O-N 2.94Å; E302-K305 PolarHBondContact O-N 3.31Å; E302-L306 WeakPolarHBondContact O-CB 3.46Å; E302-L306 PolarHBondContact O-N 2.85Å
303	R	89	Confident	87.7	Confident	90 Å²	90	41.6 Å²	41.6	34%	0.34	20%	0.204	S	C	.	.	H	α-helix	trans	-57.1	-41.6	-175.4	-74.2	172.8	-164.9	179.4	3.6	113.4	L295 Y298 S299 L306 L307	L295-R303 HydrophobicContact CB-CG 4.37Å; L295-R303 HydrophobicContact CD2-CB 4.35Å; L295-R303 HydrophobicContact CD2-CG 4.22Å; L295-R303 PolarHBondContact O-NE 3.2Å; L295-R303 PolarHBondContact O-NH2 3.42Å; Y298-R303 PolarHBondContact O-NE 3.02Å; Y298-R303 PolarHBondContact O-NH2 3.32Å; S299-R303 WeakPolarHBondContact O-CG 3.48Å; S299-R303 PolarHBondContact O-N 3.33Å; S299-R303 VanDerWaalsContact O-N 3.13Å; R303-L306 PolarHBondContact O-N 2.71Å; R303-L307 WeakPolarHBondContact O-CB 3.43Å; R303-L307 WeakPolarHBondContact O-CG 3.42Å; R303-L307 PolarHBondContact O-N 3.16Å
304	G	85.9	Confident	87.3	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.2	-52.1	177.3	0	0	0	0	0	112.6	E302 L306 L307 K308 A355	E302-G304 VanDerWaalsContact C-N 3.34Å; E302-G304 PolarHBondContact O-N 2.94Å; G304-L306 VanDerWaalsContact C-N 3.35Å; G304-L306 PolarHBondContact O-N 3.07Å; G304-L307 PolarHBondContact O-N 2.75Å; G304-K308 PolarHBondContact O-N 2.78Å; G304-A355 WeakPolarHBondContact CA-O 3.37Å
305	K	84.6	Confident	86.8	Confident	84 Å²	84	39.8 Å²	39.8	37%	0.365	20%	0.196	S	C	.	.	H	α-helix	trans	-57	-44.1	172.5	-175	177.5	-179.2	176.8	0	112.5	E302 K308 M309 N356	E302-K305 PolarHBondContact O-N 3.31Å; K305-K308 PolarHBondContact O-N 3.44Å; K305-M309 HydrophobicContact CG-CE 4.12Å; K305-M309 HydrophobicContact CG-SD 4.12Å; K305-M309 WeakPolarHBondContact O-CG 3.15Å; K305-M309 PolarHBondContact O-N 2.92Å; K305-M309 VanDerWaalsContact O-N 3.09Å; K305-N356 PolarHBondContact N-OD1 3.28Å
306	L	87.4	Confident	86.3	Confident	6 Å²	6	39.6 Å²	39.6	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-64	-46.9	179.5	-177.9	59.4	0	0	0	112.2	M247 T250 I294 L295 Y298 E302 R303 G304 M309 L310	M247-L306 HydrophobicContact CE-CD1 3.43Å; M247-L306 VanDerWaalsContact CE-CD1 3.43Å; T250-L306 HydrophobicContact CG2-CD1 4.4Å; I294-L306 HydrophobicContact CG2-CD2 4.39Å; L295-L306 HydrophobicContact CD2-CD2 4.15Å; Y298-L306 HydrophobicContact CD1-CD2 4.26Å; Y298-L306 HydrophobicContact CD2-CD2 3.32Å; Y298-L306 HydrophobicContact CE1-CD2 4.32Å; Y298-L306 HydrophobicContact CE2-CD2 3.4Å; Y298-L306 VanDerWaalsContact CE2-CD2 3.4Å; Y298-L306 HydrophobicContact CG-CD2 3.77Å; E302-L306 WeakPolarHBondContact O-CB 3.46Å; E302-L306 PolarHBondContact O-N 2.85Å; R303-L306 PolarHBondContact O-N 2.71Å; G304-L306 VanDerWaalsContact C-N 3.35Å; G304-L306 PolarHBondContact O-N 3.07Å; L306-M309 HydrophobicContact CD1-CE 4.4Å; L306-M309 PolarHBondContact O-N 3.47Å; L306-L310 WeakPolarHBondContact O-CB 3.48Å; L306-L310 PolarHBondContact O-N 2.78Å
307	L	88.5	Confident	85.8	Confident	2 Å²	2	33.6 Å²	33.6	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-59.3	-45.2	175.2	-80.7	169.4	0	0	0	111.8	L295 R303 G304 L310 T311 T361 W364 Q365 L368	L295-L307 HydrophobicContact CD1-CD1 4.44Å; L295-L307 HydrophobicContact CD1-CD2 3.97Å; L295-L307 HydrophobicContact CD1-CG 4.32Å; L295-L307 HydrophobicContact CD2-CD1 4.44Å; L295-L307 HydrophobicContact CD2-CD2 4.1Å; L295-L307 HydrophobicContact CD2-CG 3.84Å; R303-L307 WeakPolarHBondContact O-CB 3.43Å; R303-L307 WeakPolarHBondContact O-CG 3.42Å; R303-L307 PolarHBondContact O-N 3.16Å; G304-L307 PolarHBondContact O-N 2.75Å; L307-L310 PolarHBondContact O-N 2.69Å; L307-T311 WeakPolarHBondContact O-CB 3.22Å; L307-T311 PolarHBondContact O-N 2.95Å; L307-T311 PolarHBondContact O-OG1 3.14Å; L307-T361 HydrophobicContact CD1-CG2 3.88Å; L307-W364 HydrophobicContact CB-CB 3.78Å; L307-Q365 HydrophobicContact CD1-CB 4.08Å; L307-Q365 HydrophobicContact CD2-CB 4.49Å; L307-L368 HydrophobicContact CD2-CD2 3.56Å
308	K	85.4	Confident	85.3	Confident	43 Å²	43	33 Å²	33	19%	0.187	16%	0.164	C	C	.	.	H	α-helix	trans	-55.6	-58.2	175.9	176.3	169.3	-176.8	-177.7	0	111	G304 K305 L310 T311 E312 S351 A355 W364	G304-K308 PolarHBondContact O-N 2.78Å; K305-K308 PolarHBondContact O-N 3.44Å; K308-L310 VanDerWaalsContact C-N 3.34Å; K308-L310 PolarHBondContact O-N 2.86Å; K308-T311 PolarHBondContact O-N 3.29Å; K308-E312 VanDerWaalsContact CE-CD 3.42Å; K308-E312 WeakPolarHBondContact CE-OE1 3.48Å; K308-E312 WeakPolarHBondContact CE-OE2 3.36Å; K308-E312 HydrophobicContact CG-CG 4.37Å; K308-E312 VanDerWaalsContact CG-OE2 3.31Å; K308-E312 WeakPolarHBondContact CG-OE2 3.4Å; K308-E312 IonicContact NZ-OE1 3.55Å; K308-E312 WeakPolarHBondContact O-CB 3.28Å; K308-E312 WeakPolarHBondContact O-CG 3.4Å; K308-E312 PolarHBondContact O-N 2.86Å; K308-S351 PolarHBondContact NZ-O 3.39Å; K308-A355 HydrophobicContact CB-CB 4.05Å; K308-A355 HydrophobicContact CD-CB 4.01Å; K308-W364 HydrophobicContact CB-CD2 3.97Å; K308-W364 HydrophobicContact CB-CE3 4.47Å; K308-W364 HydrophobicContact CB-CG 4.25Å; K308-W364 HydrophobicContact CB-CZ2 4.14Å; K308-W364 HydrophobicContact CD-CH2 4.26Å; K308-W364 HydrophobicContact CD-CZ2 3.63Å; K308-W364 HydrophobicContact CG-CD2 4.28Å; K308-W364 HydrophobicContact CG-CH2 3.88Å; K308-W364 HydrophobicContact CG-CZ2 3.59Å; K308-W364 HydrophobicContact CG-CZ3 4.36Å
309	M	85.8	Confident	84.8	Confident	12 Å²	12	34.8 Å²	34.8	6%	0.059	18%	0.178	C	C	.	.	H	α-helix	trans	-63.7	-36.8	-177.3	-63.1	177.7	-47	0	0	113.2	F86 K305 L306 S313 L731	F86-M309 HydrophobicContact CD2-SD 4.15Å; F86-M309 HydrophobicContact CE2-CE 4.26Å; F86-M309 HydrophobicContact CE2-SD 3.53Å; F86-M309 VanDerWaalsContact CE2-SD 3.53Å; F86-M309 HydrophobicContact CZ-SD 4.41Å; K305-M309 HydrophobicContact CG-CE 4.12Å; K305-M309 HydrophobicContact CG-SD 4.12Å; K305-M309 WeakPolarHBondContact O-CG 3.15Å; K305-M309 PolarHBondContact O-N 2.92Å; K305-M309 VanDerWaalsContact O-N 3.09Å; L306-M309 HydrophobicContact CD1-CE 4.4Å; L306-M309 PolarHBondContact O-N 3.47Å; M309-S313 VanDerWaalsContact O-CB 3.24Å; M309-S313 WeakPolarHBondContact O-CB 3.21Å; M309-S313 PolarHBondContact O-N 3Å; M309-S313 PolarHBondContact O-OG 3.09Å; M309-L731 HydrophobicContact CE-CD1 3.67Å; M309-L731 HydrophobicContact SD-CD1 4.47Å
310	L	87.5	Confident	84.4	Confident	7 Å²	7	33.3 Å²	33.3	4%	0.037	17%	0.166	C	C	.	.	H	α-helix	trans	-63.8	-49.7	175.6	177.9	56.7	0	0	0	110.4	L237 L240 M247 I291 L306 L307 K308 S313 L314 L368	L237-L310 HydrophobicContact CD2-CD1 3.97Å; L240-L310 HydrophobicContact CD1-CD1 3.98Å; M247-L310 HydrophobicContact CE-CB 3.88Å; M247-L310 HydrophobicContact CE-CD1 3.97Å; M247-L310 HydrophobicContact CE-CG 4.39Å; M247-L310 HydrophobicContact SD-CD1 4.04Å; I291-L310 HydrophobicContact CG2-CD2 4.5Å; L306-L310 WeakPolarHBondContact O-CB 3.48Å; L306-L310 PolarHBondContact O-N 2.78Å; L307-L310 PolarHBondContact O-N 2.69Å; K308-L310 VanDerWaalsContact C-N 3.34Å; K308-L310 PolarHBondContact O-N 2.86Å; L310-S313 PolarHBondContact O-N 2.75Å; L310-L314 WeakPolarHBondContact O-CB 3.43Å; L310-L314 PolarHBondContact O-N 3.44Å; L310-L368 HydrophobicContact CD2-CD2 3.82Å; L310-L368 HydrophobicContact CG-CD1 4.36Å; L310-L368 HydrophobicContact CG-CD2 4.28Å
311	T	86.2	Confident	84.4	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.6	-43.7	-179	-44.8	0	0	0	0	111.8	L307 K308 L314 A315 W364 R367 L368 L371 L380	L307-T311 WeakPolarHBondContact O-CB 3.22Å; L307-T311 PolarHBondContact O-N 2.95Å; L307-T311 PolarHBondContact O-OG1 3.14Å; K308-T311 PolarHBondContact O-N 3.29Å; T311-L314 PolarHBondContact O-N 2.79Å; T311-A315 WeakPolarHBondContact O-CB 3.4Å; T311-A315 PolarHBondContact O-N 2.88Å; T311-W364 HydrophobicContact CG2-CE3 4.49Å; T311-R367 HydrophobicContact CG2-CB 3.99Å; T311-L368 HydrophobicContact CG2-CB 4.32Å; T311-L368 HydrophobicContact CG2-CD1 4.48Å; T311-L371 HydrophobicContact CG2-CD2 4.31Å; T311-L380 HydrophobicContact CG2-CD1 3.55Å
312	E	84.4	Confident	84.6	Confident	29 Å²	29	29.2 Å²	29.2	14%	0.136	14%	0.139	C	C	.	.	H	α-helix	trans	-64.6	-43.6	177.9	-71.9	174.4	158.5	0	0	111.7	V84 K308 W364	V84-E312 HydrophobicContact CG1-CB 4.18Å; K308-E312 VanDerWaalsContact CE-CD 3.42Å; K308-E312 WeakPolarHBondContact CE-OE1 3.48Å; K308-E312 WeakPolarHBondContact CE-OE2 3.36Å; K308-E312 HydrophobicContact CG-CG 4.37Å; K308-E312 VanDerWaalsContact CG-OE2 3.31Å; K308-E312 WeakPolarHBondContact CG-OE2 3.4Å; K308-E312 IonicContact NZ-OE1 3.55Å; K308-E312 WeakPolarHBondContact O-CB 3.28Å; K308-E312 WeakPolarHBondContact O-CG 3.4Å; K308-E312 PolarHBondContact O-N 2.86Å; E312-W364 HydrophobicContact CG-CH2 4.19Å; E312-W364 HydrophobicContact CG-CZ3 4.14Å; E312-W364 WeakPolarHBondContact OE1-CH2 3.3Å
313	S	85.8	Confident	84.6	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-68.3	-39.3	176.3	-55.4	0	0	0	0	112.3	S246 M309 L310 A315 G316 Y317	S246-S313 WeakPolarHBondContact CB-OG 3.18Å; S246-S313 WeakPolarHBondContact OG-CB 3.48Å; S246-S313 PolarHBondContact OG-OG 3.4Å; M309-S313 VanDerWaalsContact O-CB 3.24Å; M309-S313 WeakPolarHBondContact O-CB 3.21Å; M309-S313 PolarHBondContact O-N 3Å; M309-S313 PolarHBondContact O-OG 3.09Å; L310-S313 PolarHBondContact O-N 2.75Å; S313-A315 VanDerWaalsContact C-N 3.32Å; S313-A315 PolarHBondContact O-N 3.41Å; S313-G316 PolarHBondContact O-N 2.95Å; S313-Y317 VanDerWaalsContact O-CD2 3.31Å; S313-Y317 WeakPolarHBondContact O-CD2 3.46Å; S313-Y317 VanDerWaalsContact O-CE2 3.3Å; S313-Y317 WeakPolarHBondContact O-CE2 3.48Å
314	L	85.7	Confident	84.7	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-67.4	-32.3	-178	-173.6	64.6	0	0	0	112.3	P236 L237 L240 L310 T311 G316 Y317 F318 L368 L371 L372	P236-L314 HydrophobicContact CB-CD1 3.58Å; L237-L314 HydrophobicContact CD2-CD1 4.04Å; L237-L314 HydrophobicContact CD2-CD2 3.86Å; L237-L314 HydrophobicContact CG-CD1 4.49Å; L240-L314 HydrophobicContact CD1-CB 4.02Å; L240-L314 HydrophobicContact CD1-CD1 4.09Å; L310-L314 WeakPolarHBondContact O-CB 3.43Å; L310-L314 PolarHBondContact O-N 3.44Å; T311-L314 PolarHBondContact O-N 2.79Å; L314-G316 PolarHBondContact O-N 3.21Å; L314-G316 VanDerWaalsContact O-N 3.1Å; L314-Y317 PolarHBondContact O-N 3.19Å; L314-Y317 VanDerWaalsContact O-N 3.08Å; L314-F318 HydrophobicContact CD1-CE2 3.87Å; L314-F318 HydrophobicContact CD2-CE2 4.25Å; L314-F318 HydrophobicContact CG-CD2 4.27Å; L314-F318 HydrophobicContact CG-CE2 3.8Å; L314-L368 HydrophobicContact CD2-CD1 3.56Å; L314-L371 HydrophobicContact CB-CD2 3.95Å; L314-L371 HydrophobicContact CD2-CD2 3.93Å; L314-L371 HydrophobicContact CD2-CG 4.5Å; L314-L371 HydrophobicContact CG-CD2 3.83Å; L314-L372 HydrophobicContact CD2-CD2 3.99Å; L314-L372 HydrophobicContact CD2-CG 4.29Å
315	A	82	Confident	84.9	Confident	7 Å²	7	24.5 Å²	24.5	6%	0.058	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-16.1	178.1	0	0	0	0	0	114	T311 S313 Y317 L371 L380	T311-A315 WeakPolarHBondContact O-CB 3.4Å; T311-A315 PolarHBondContact O-N 2.88Å; S313-A315 VanDerWaalsContact C-N 3.32Å; S313-A315 PolarHBondContact O-N 3.41Å; A315-Y317 VanDerWaalsContact C-N 3.34Å; A315-L371 HydrophobicContact CB-CD2 4.14Å; A315-L380 HydrophobicContact CB-CB 4.47Å
316	G	81.1	Confident	85.1	Confident	8 Å²	8	23.4 Å²	23.4	8%	0.082	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-13.7	173.9	0	0	0	0	0	115.3	R146 S313 L314	R146-G316 PolarHBondContact N-O 2.74Å; S313-G316 PolarHBondContact O-N 2.95Å; L314-G316 PolarHBondContact O-N 3.21Å; L314-G316 VanDerWaalsContact O-N 3.1Å
317	Y	82	Confident	85.3	Confident	8 Å²	8	23.3 Å²	23.3	3%	0.031	12%	0.116	C	C	.	.	S	Bend	trans	-106	-12.3	-172.9	-63.4	-98.2	0	0	0	114.3	M1 E165 L168 I169 P236 L240 S313 L314 A315	M1-Y317 HydrophobicContact SD-CE2 4Å; M1-Y317 PolarHBondContact SD-OH 2.81Å; E165-Y317 HydrophobicContact CB-CE1 3.82Å; E165-Y317 HydrophobicContact CG-CE1 3.83Å; L168-Y317 HydrophobicContact CD1-CE1 4.13Å; I169-Y317 HydrophobicContact CD1-CD1 4.4Å; I169-Y317 HydrophobicContact CG1-CD1 4.35Å; P236-Y317 HydrophobicContact CB-CD1 4.16Å; P236-Y317 HydrophobicContact CB-CD2 4.41Å; P236-Y317 HydrophobicContact CB-CG 3.88Å; P236-Y317 HydrophobicContact CG-CG 4.38Å; L240-Y317 HydrophobicContact CD2-CE2 3.99Å; L240-Y317 HydrophobicContact CG-CE2 4.37Å; S313-Y317 VanDerWaalsContact O-CD2 3.31Å; S313-Y317 WeakPolarHBondContact O-CD2 3.46Å; S313-Y317 VanDerWaalsContact O-CE2 3.3Å; S313-Y317 WeakPolarHBondContact O-CE2 3.48Å; L314-Y317 PolarHBondContact O-N 3.19Å; L314-Y317 VanDerWaalsContact O-N 3.08Å; A315-Y317 VanDerWaalsContact C-N 3.34Å
318	F	80.8	Confident	85.6	Confident	20 Å²	20	23.9 Å²	23.9	9%	0.088	12%	0.12	C	C	.	.	S	Bend	trans	-93.4	135.7	-179.4	-80.3	-96.9	0	0	0	111	L314 L371 L372	L314-F318 HydrophobicContact CD1-CE2 3.87Å; L314-F318 HydrophobicContact CD2-CE2 4.25Å; L314-F318 HydrophobicContact CG-CD2 4.27Å; L314-F318 HydrophobicContact CG-CE2 3.8Å; F318-L371 HydrophobicContact CB-CD1 4.05Å; F318-L371 HydrophobicContact CD2-CD1 3.89Å; F318-L371 HydrophobicContact CD2-CG 4.08Å; F318-L371 HydrophobicContact CE2-CG 4.29Å; F318-L371 HydrophobicContact CG-CD1 3.92Å; F318-L372 HydrophobicContact CZ-CD2 4.4Å
319	P	81.4	Confident	85.8	Confident	51 Å²	51	23.9 Å²	23.9	33%	0.331	12%	0.123	S	C	.	.			trans	-67	145.5	171.5	27.7	-33.3	0	0	0	111.3	V149 T153	V149-P319 HydrophobicContact CG1-CB 3.96Å; T153-P319 HydrophobicContact CG2-CB 3.94Å; T153-P319 HydrophobicContact CG2-CG 4.24Å; T153-P319 WeakPolarHBondContact OG1-CB 3.3Å
320	D	80.8	Confident	86.1	Confident	24 Å²	24	25 Å²	25	13%	0.128	13%	0.132	C	C	.	.			trans	-126.3	109.1	177.3	173.6	-19	0	0	0	107.9	R146 S150 Y322 L323 G324	R146-D320 IonicContact CZ-OD2 2.98Å; R146-D320 IonicContact NE-OD2 3.99Å; R146-D320 IonicContact NH2-OD2 3.9Å; R146-D320 PolarHBondContact NH2-OD2 3.39Å; S150-D320 VanDerWaalsContact CB-O 3.29Å; S150-D320 WeakPolarHBondContact CB-O 3.38Å; S150-D320 PolarHBondContact OG-N 3.28Å; D320-Y322 VanDerWaalsContact C-N 3.32Å; D320-Y322 PolarHBondContact O-N 3.45Å; D320-Y322 PolarHBondContact OD1-N 3.19Å; D320-Y322 VanDerWaalsContact OD1-N 3.14Å; D320-L323 HydrophobicContact CB-CB 3.79Å; D320-L323 HydrophobicContact CB-CD2 4.43Å; D320-L323 VanDerWaalsContact CG-CB 3.46Å; D320-L323 WeakPolarHBondContact O-CB 3.33Å; D320-L323 PolarHBondContact O-N 3.19Å; D320-L323 PolarHBondContact OD1-N 3.34Å; D320-G324 PolarHBondContact O-N 2.98Å
321	L	82.6	Confident	86.2	Confident	100 Å²	100	25 Å²	25	52%	0.524	13%	0.133	S	C	.	.	H	α-helix	trans	-68	-30.6	-173.1	-66.6	175.3	0	0	0	112.9	T153 G324 Q325	T153-L321 HydrophobicContact CG2-CD2 4.15Å; L321-G324 PolarHBondContact O-N 3.36Å; L321-Q325 WeakPolarHBondContact O-CB 3.43Å; L321-Q325 PolarHBondContact O-N 2.88Å
322	Y	83.5	Confident	86.1	Confident	70 Å²	70	27.4 Å²	27.4	28%	0.275	14%	0.144	S	C	.	.	H	α-helix	trans	-69.7	-42.4	175.1	174	-96.1	0	0	0	110.8	D320 G324 Q325 K326 L343 P346	D320-Y322 VanDerWaalsContact C-N 3.32Å; D320-Y322 PolarHBondContact O-N 3.45Å; D320-Y322 PolarHBondContact OD1-N 3.19Å; D320-Y322 VanDerWaalsContact OD1-N 3.14Å; Y322-G324 VanDerWaalsContact C-N 3.35Å; Y322-Q325 PolarHBondContact O-N 3.07Å; Y322-K326 WeakPolarHBondContact O-CB 3.43Å; Y322-K326 PolarHBondContact O-N 2.83Å; Y322-L343 HydrophobicContact CD2-CB 3.79Å; Y322-L343 HydrophobicContact CD2-CD1 4.4Å; Y322-P346 HydrophobicContact CD1-CG 4.06Å; Y322-P346 HydrophobicContact CE1-CG 3.87Å
323	L	86.4	Confident	85.5	Confident	2 Å²	2	32.2 Å²	32.2	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-61.1	-43.3	170.9	175.3	58.1	0	0	0	111.5	Y142 R146 D320 K326 L327	Y142-L323 HydrophobicContact CD1-CD1 4.38Å; Y142-L323 HydrophobicContact CD2-CD1 3.2Å; Y142-L323 HydrophobicContact CE2-CD1 3.36Å; Y142-L323 HydrophobicContact CG-CD1 3.74Å; Y142-L323 HydrophobicContact CG-CD2 4.39Å; R146-L323 HydrophobicContact CG-CD2 3.93Å; D320-L323 HydrophobicContact CB-CB 3.79Å; D320-L323 HydrophobicContact CB-CD2 4.43Å; D320-L323 VanDerWaalsContact CG-CB 3.46Å; D320-L323 WeakPolarHBondContact O-CB 3.33Å; D320-L323 PolarHBondContact O-N 3.19Å; D320-L323 PolarHBondContact OD1-N 3.34Å; L323-K326 PolarHBondContact O-N 3.04Å; L323-L327 HydrophobicContact CD1-CD1 3.81Å; L323-L327 HydrophobicContact CD1-CD2 4.44Å; L323-L327 HydrophobicContact CD1-CG 3.85Å; L323-L327 HydrophobicContact CG-CD1 3.92Å; L323-L327 HydrophobicContact CG-CG 4.37Å; L323-L327 WeakPolarHBondContact O-CB 3.25Å; L323-L327 VanDerWaalsContact O-CG 3.28Å; L323-L327 WeakPolarHBondContact O-CG 3.43Å; L323-L327 PolarHBondContact O-N 2.93Å
324	G	90.3	Very high	84	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-57.9	-48.8	175.9	0	0	0	0	0	112.5	S150 L151 D320 L321 Y322 L327 S328	S150-G324 WeakPolarHBondContact O-CA 3.44Å; L151-G324 WeakPolarHBondContact CD1-O 3.21Å; D320-G324 PolarHBondContact O-N 2.98Å; L321-G324 PolarHBondContact O-N 3.36Å; Y322-G324 VanDerWaalsContact C-N 3.35Å; G324-L327 PolarHBondContact O-N 2.91Å; G324-S328 WeakPolarHBondContact O-CB 3.44Å; G324-S328 PolarHBondContact O-N 3.39Å
325	Q	90.4	Very high	81.8	Confident	42 Å²	42	43.1 Å²	43.1	20%	0.196	23%	0.226	C	C	.	.	H	α-helix	trans	-58.9	-48.5	174.8	-173.4	178.5	18.7	0	0	112	Y154 L321 Y322 L327 S328 V329 T339	Y154-Q325 HydrophobicContact CD2-CB 4.05Å; Y154-Q325 HydrophobicContact CE1-CB 4.38Å; Y154-Q325 HydrophobicContact CE2-CB 3.61Å; Y154-Q325 HydrophobicContact CE2-CG 4Å; L321-Q325 WeakPolarHBondContact O-CB 3.43Å; L321-Q325 PolarHBondContact O-N 2.88Å; Y322-Q325 PolarHBondContact O-N 3.07Å; Q325-L327 VanDerWaalsContact C-N 3.35Å; Q325-L327 PolarHBondContact O-N 3.47Å; Q325-S328 WeakPolarHBondContact O-CB 3.5Å; Q325-S328 PolarHBondContact O-N 3.33Å; Q325-V329 PolarHBondContact O-N 2.83Å; Q325-T339 PolarHBondContact NE2-OG1 3.09Å
326	K	88.7	Confident	80	Confident	61 Å²	61	47.1 Å²	47.1	27%	0.265	25%	0.251	S	S	.	.	H	α-helix	trans	-61	-41.6	178.9	179.9	177.8	172.4	-177.8	0	112.2	Y142 Y322 L323 S330 D384	Y142-K326 HydrophobicContact CE2-CD 4.47Å; Y142-K326 PolarHBondContact OH-NZ 2.96Å; Y322-K326 WeakPolarHBondContact O-CB 3.43Å; Y322-K326 PolarHBondContact O-N 2.83Å; L323-K326 PolarHBondContact O-N 3.04Å; K326-S330 WeakPolarHBondContact O-CB 3.38Å; K326-S330 PolarHBondContact O-N 3.48Å; K326-S330 VanDerWaalsContact O-N 3.11Å; K326-S330 PolarHBondContact O-OG 3.49Å; K326-D384 IonicContact NZ-OD2 2.87Å; K326-D384 PolarHBondContact NZ-OD2 3.03Å
327	L	92.6	Very high	77.9	Confident	4 Å²	4	51.6 Å²	51.6	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-67.3	-37.8	175.7	-70.2	173.5	0	0	0	111.5	L138 L151 L323 G324 Q325 S330 L331	L138-L327 HydrophobicContact CD2-CB 4.31Å; L138-L327 HydrophobicContact CD2-CD2 3.74Å; L138-L327 WeakPolarHBondContact CD2-O 3.49Å; L151-L327 HydrophobicContact CB-CB 4.47Å; L151-L327 HydrophobicContact CB-CD1 4.47Å; L151-L327 HydrophobicContact CD1-CB 4.12Å; L323-L327 HydrophobicContact CD1-CD1 3.81Å; L323-L327 HydrophobicContact CD1-CD2 4.44Å; L323-L327 HydrophobicContact CD1-CG 3.85Å; L323-L327 HydrophobicContact CG-CD1 3.92Å; L323-L327 HydrophobicContact CG-CG 4.37Å; L323-L327 WeakPolarHBondContact O-CB 3.25Å; L323-L327 VanDerWaalsContact O-CG 3.28Å; L323-L327 WeakPolarHBondContact O-CG 3.43Å; L323-L327 PolarHBondContact O-N 2.93Å; G324-L327 PolarHBondContact O-N 2.91Å; Q325-L327 VanDerWaalsContact C-N 3.35Å; Q325-L327 PolarHBondContact O-N 3.47Å; L327-S330 PolarHBondContact O-N 3.46Å; L327-L331 WeakPolarHBondContact O-CB 3.34Å; L327-L331 PolarHBondContact O-N 3.12Å
328	S	94	Very high	75.7	Confident	13 Å²	13	57.2 Å²	57.2	9%	0.091	32%	0.317	C	S	.	.	H	α-helix	trans	-60.4	-51.1	176.4	-169.2	0	0	0	0	112	G324 Q325 S330 L331 H332	G324-S328 WeakPolarHBondContact O-CB 3.44Å; G324-S328 PolarHBondContact O-N 3.39Å; Q325-S328 WeakPolarHBondContact O-CB 3.5Å; Q325-S328 PolarHBondContact O-N 3.33Å; S328-S330 VanDerWaalsContact C-N 3.3Å; S328-S330 PolarHBondContact O-N 3.09Å; S328-L331 PolarHBondContact O-N 2.87Å; S328-H332 PolarHBondContact O-N 2.88Å; S328-H332 VanDerWaalsContact O-N 3.07Å
329	V	91	Very high	73.7	Confident	43 Å²	43	60 Å²	60	26%	0.261	34%	0.336	S	S	.	.	H	α-helix	trans	-58.3	-44.5	176.2	174.9	0	0	0	0	110.6	Q325 L331 H332 Q333 E334 P336	Q325-V329 PolarHBondContact O-N 2.83Å; V329-L331 VanDerWaalsContact C-N 3.35Å; V329-L331 PolarHBondContact O-N 2.93Å; V329-H332 PolarHBondContact O-N 2.95Å; V329-Q333 PolarHBondContact O-N 2.88Å; V329-E334 WeakPolarHBondContact CG1-O 3.11Å; V329-P336 HydrophobicContact CG1-CB 4.31Å
330	S	90.2	Very high	71.5	Confident	35 Å²	35	61.2 Å²	61.2	25%	0.245	36%	0.358	C	S	.	.	H	α-helix	trans	-64.6	-35.8	179.2	-54.6	0	0	0	0	113.1	K326 L327 S328	K326-S330 WeakPolarHBondContact O-CB 3.38Å; K326-S330 PolarHBondContact O-N 3.48Å; K326-S330 VanDerWaalsContact O-N 3.11Å; K326-S330 PolarHBondContact O-OG 3.49Å; L327-S330 PolarHBondContact O-N 3.46Å; S328-S330 VanDerWaalsContact C-N 3.3Å; S328-S330 PolarHBondContact O-N 3.09Å
331	L	90.9	Very high	69.5	Low	8 Å²	8	66.5 Å²	66.5	4%	0.042	39%	0.386	C	S	.	.	H	α-helix	trans	-75.3	-29.3	-179.5	178.3	67.8	0	0	0	112.6	K136 L138 L151 L327 S328 V329	K136-L331 HydrophobicContact CB-CD1 3.98Å; K136-L331 HydrophobicContact CB-CG 4.4Å; L138-L331 HydrophobicContact CB-CB 4.49Å; L138-L331 HydrophobicContact CB-CD1 3.83Å; L138-L331 HydrophobicContact CD2-CB 4.14Å; L151-L331 HydrophobicContact CD2-CD2 3.81Å; L327-L331 WeakPolarHBondContact O-CB 3.34Å; L327-L331 PolarHBondContact O-N 3.12Å; S328-L331 PolarHBondContact O-N 2.87Å; V329-L331 VanDerWaalsContact C-N 3.35Å; V329-L331 PolarHBondContact O-N 2.93Å
332	H	84.7	Confident	67.4	Low	51 Å²	51	70.4 Å²	70.4	24%	0.236	40%	0.402	C	S	.	.	H	α-helix	trans	-99.3	-11.1	-178.2	-63.6	3.7	0	0	0	113.3	K136 S328 V329 E334	K136-H332 PolarHBondContact NZ-CE1 3.39Å; K136-H332 PolarHBondContact NZ-ND1 3.47Å; K136-H332 PolarHBondContact NZ-NE2 3.09Å; S328-H332 PolarHBondContact O-N 2.88Å; S328-H332 VanDerWaalsContact O-N 3.07Å; V329-H332 PolarHBondContact O-N 2.95Å; H332-E334 HydrophobicContact CB-CG 3.84Å; H332-E334 VanDerWaalsContact CB-OE1 3.29Å; H332-E334 WeakPolarHBondContact CB-OE1 2.98Å; H332-E334 IonicContact CD2-OE1 3.93Å; H332-E334 PolarHBondContact CD2-OE1 2.82Å; H332-E334 IonicContact CG-OE1 3.7Å; H332-E334 PolarHBondContact O-N 3.44Å
333	Q	71.5	Confident	65.7	Low	129 Å²	129	71.1 Å²	71.1	60%	0.603	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	22.1	-176.4	-64.6	169.6	82.8	0	0	112.9	V329 K399	V329-Q333 PolarHBondContact O-N 2.88Å; Q333-K399 VanDerWaalsContact OE1-NZ 3.09Å
334	E	53.2	Low	63.6	Low	103 Å²	103	77.2 Å²	77.2	48%	0.481	44%	0.442	S	S	.	.			trans	-71.8	144.5	177.6	-72.8	166.2	-157	0	0	111	V329 H332	V329-E334 WeakPolarHBondContact CG1-O 3.11Å; H332-E334 HydrophobicContact CB-CG 3.84Å; H332-E334 VanDerWaalsContact CB-OE1 3.29Å; H332-E334 WeakPolarHBondContact CB-OE1 2.98Å; H332-E334 IonicContact CD2-OE1 3.93Å; H332-E334 PolarHBondContact CD2-OE1 2.82Å; H332-E334 IonicContact CG-OE1 3.7Å; H332-E334 PolarHBondContact O-N 3.44Å
335	T	40.9	Very low	61.5	Low	127 Å²	127	81.4 Å²	81.4	78%	0.779	47%	0.472	S	S	*	.			trans	-56.9	127.4	164.7	-39.8	0	0	0	0	108	V337	T335-V337 PolarHBondContact O-N 3.33Å
336	P	43.3	Very low	59.5	Low	90 Å²	90	80.2 Å²	80.2	58%	0.584	47%	0.468	S	S	*	.			trans	-60.4	109.1	-174.6	22.7	-33.5	0	0	0	110.4	V329 S338	V329-P336 HydrophobicContact CG1-CB 4.31Å; P336-S338 PolarHBondContact O-N 3.41Å
337	V	37.4	Very low	57.3	Low	103 Å²	103	82.7 Å²	82.7	62%	0.624	48%	0.483	S	S	*	.			trans	-60.3	124.3	177.7	-178.7	0	0	0	0	108.4	T335 T339	T335-V337 PolarHBondContact O-N 3.33Å; V337-T339 HydrophobicContact CG1-CG2 4.22Å; V337-T339 PolarHBondContact O-N 3.14Å; V337-T339 PolarHBondContact O-OG1 2.99Å
338	S	36.1	Very low	55.1	Low	125 Å²	125	85.5 Å²	85.5	87%	0.874	50%	0.495	S	S	*	.			trans	-67.2	60.2	-179.5	-57.2	0	0	0	0	113	P336 G340	P336-S338 PolarHBondContact O-N 3.41Å; S338-G340 PolarHBondContact O-N 3.26Å
339	T	37.9	Very low	52.9	Low	78 Å²	78	87 Å²	87	48%	0.479	50%	0.504	S	S	.	.			trans	-68.1	111	171.6	40.9	0	0	0	0	108	Q325 V337 N341	Q325-T339 PolarHBondContact NE2-OG1 3.09Å; V337-T339 HydrophobicContact CG1-CG2 4.22Å; V337-T339 PolarHBondContact O-N 3.14Å; V337-T339 PolarHBondContact O-OG1 2.99Å; T339-N341 PolarHBondContact O-N 3.41Å
340	G	35	Very low	50.9	Low	77 Å²	77	90.6 Å²	90.6	79%	0.794	51%	0.513	S	S	*	.	S	Bend	trans	-64.9	5.5	-165.5	0	0	0	0	0	117.1	S338 Q342	S338-G340 PolarHBondContact O-N 3.26Å; G340-Q342 PolarHBondContact O-N 2.75Å
341	N	39.2	Very low	49	Very low	135 Å²	135	89.3 Å²	89.3	72%	0.722	50%	0.504	S	S	*	.			trans	-81.4	99.2	173.9	-71.7	-15.9	0	0	0	109.5	T339 L343	T339-N341 PolarHBondContact O-N 3.41Å; N341-L343 PolarHBondContact O-N 3.08Å
342	Q	38.6	Very low	47	Very low	183 Å²	183	93.8 Å²	93.8	86%	0.855	53%	0.534	S	S	*	.			trans	-67.3	78.2	164	-68.3	-171.3	4.9	0	0	110	G340 N344	G340-Q342 PolarHBondContact O-N 2.75Å; Q342-N344 PolarHBondContact O-N 3.19Å; Q342-N344 VanDerWaalsContact O-N 3.07Å
343	L	47	Very low	45.4	Very low	85 Å²	85	97.3 Å²	97.3	45%	0.445	55%	0.55	S	S	.	*			trans	-59.7	110.5	161.7	-73.6	175	0	0	0	107.2	Y322 N341 S345	Y322-L343 HydrophobicContact CD2-CB 3.79Å; Y322-L343 HydrophobicContact CD2-CD1 4.4Å; N341-L343 PolarHBondContact O-N 3.08Å; L343-S345 PolarHBondContact O-N 2.94Å
344	N	42.8	Very low	44.7	Very low	129 Å²	129	98.9 Å²	98.9	69%	0.69	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-51.5	123.1	-174.7	-78.4	-51.2	0	0	0	111.1	Q342	Q342-N344 PolarHBondContact O-N 3.19Å; Q342-N344 VanDerWaalsContact O-N 3.07Å
345	S	45.7	Very low	45	Very low	89 Å²	89	94.5 Å²	94.5	62%	0.622	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-50	129.1	177.1	-64.5	0	0	0	0	110.7	L343 I347	L343-S345 PolarHBondContact O-N 2.94Å; S345-I347 PolarHBondContact O-N 3.28Å
346	P	48.2	Very low	46.2	Very low	17 Å²	17	91.7 Å²	91.7	11%	0.11	52%	0.519	C	S	.	.	P	Polyproline II helix	trans	-63.1	129.5	-171.4	22.3	-33.3	0	0	0	111.7	Y322 F348 T377 I379	Y322-P346 HydrophobicContact CD1-CG 4.06Å; Y322-P346 HydrophobicContact CE1-CG 3.87Å; P346-F348 PolarHBondContact O-N 2.96Å; P346-F348 VanDerWaalsContact O-N 3.15Å; P346-T377 VanDerWaalsContact CA-O 3.23Å; P346-T377 WeakPolarHBondContact CA-O 3.39Å; P346-T377 WeakPolarHBondContact CB-O 3.32Å; P346-I379 HydrophobicContact CB-CD1 3.66Å; P346-I379 HydrophobicContact CB-CG1 3.73Å; P346-I379 HydrophobicContact CG-CD1 3.48Å; P346-I379 VanDerWaalsContact CG-CD1 3.48Å; P346-I379 HydrophobicContact CG-CG1 4.15Å
347	I	43.3	Very low	47.6	Very low	112 Å²	112	90 Å²	90	57%	0.574	51%	0.509	S	S	*	.			trans	-76.9	103.6	175.4	-56.4	177.7	0	0	0	107.8	S345 V349 I378	S345-I347 PolarHBondContact O-N 3.28Å; I347-V349 HydrophobicContact CG2-CG2 3.87Å; I347-V349 PolarHBondContact O-N 3.32Å; I347-I378 WeakPolarHBondContact O-CG2 3.45Å
348	F	47.5	Very low	49.6	Very low	64 Å²	64	90.6 Å²	90.6	28%	0.281	51%	0.513	S	S	.	.			trans	-67.2	128.7	169.6	-65.8	-86.2	0	0	0	109.8	P346 I379 S382 D384	P346-F348 PolarHBondContact O-N 2.96Å; P346-F348 VanDerWaalsContact O-N 3.15Å; F348-I379 HydrophobicContact CD1-CB 3.78Å; F348-I379 HydrophobicContact CD1-CD1 4.49Å; F348-I379 HydrophobicContact CD1-CG2 3.85Å; F348-I379 HydrophobicContact CE1-CB 3.76Å; F348-I379 HydrophobicContact CE1-CD1 3.69Å; F348-I379 HydrophobicContact CE1-CG1 4.32Å; F348-I379 HydrophobicContact CE1-CG2 3.67Å; F348-I379 HydrophobicContact CZ-CD1 3.77Å; F348-S382 WeakPolarHBondContact CE1-O 3.44Å; F348-D384 HydrophobicContact CE1-CB 4.48Å; F348-D384 HydrophobicContact CZ-CB 3.96Å
349	V	46.9	Very low	51.8	Low	45 Å²	45	90.1 Å²	90.1	27%	0.273	51%	0.505	S	S	.	.			trans	-131.6	89.6	171.7	-165.5	0	0	0	0	111.9	I347 S351 I378	I347-V349 HydrophobicContact CG2-CG2 3.87Å; I347-V349 PolarHBondContact O-N 3.32Å; V349-S351 PolarHBondContact O-N 2.98Å; V349-I378 HydrophobicContact CG2-CG2 4.41Å
350	Y	48.5	Very low	53.8	Low	117 Å²	117	87.1 Å²	87.1	46%	0.459	49%	0.486	S	S	.	.			trans	-70.5	117.9	159.7	-172.5	-110.5	0	0	0	109	P352 Q413	Y350-P352 HydrophobicContact CD1-CB 4.38Å; Y350-P352 HydrophobicContact CD1-CG 4.33Å; Y350-P352 HydrophobicContact CE1-CB 3.88Å; Y350-P352 HydrophobicContact CE1-CG 4.29Å; Y350-P352 WeakPolarHBondContact O-CD 3.36Å; Y350-Q413 PolarHBondContact OH-OE1 3.44Å
351	S	50.8	Low	56.1	Low	9 Å²	9	84.8 Å²	84.8	6%	0.063	46%	0.456	C	S	.	.			trans	-110	97	175	-169.4	0	0	0	0	109.5	K308 V349 Q360	K308-S351 PolarHBondContact NZ-O 3.39Å; V349-S351 PolarHBondContact O-N 2.98Å; S351-Q360 PolarHBondContact OG-NE2 3.07Å; S351-Q360 PolarHBondContact OG-OE1 3.08Å
352	P	48.6	Very low	58.3	Low	101 Å²	101	82.6 Å²	82.6	66%	0.656	45%	0.448	S	S	*	.			trans	-77.2	-9.9	174.2	31.8	-34.9	0	0	0	112.7	Y350	Y350-P352 HydrophobicContact CD1-CB 4.38Å; Y350-P352 HydrophobicContact CD1-CG 4.33Å; Y350-P352 HydrophobicContact CE1-CB 3.88Å; Y350-P352 HydrophobicContact CE1-CG 4.29Å; Y350-P352 WeakPolarHBondContact O-CD 3.36Å
353	Q	51.1	Low	60.5	Low	125 Å²	125	77 Å²	77	58%	0.584	42%	0.423	S	S	*	.	S	Bend	trans	-66.4	154.1	179.4	-66.6	-175.2	-7	0	0	112.1	A355	Q353-A355 PolarHBondContact O-N 3.18Å; Q353-A355 VanDerWaalsContact O-N 3.15Å
354	E	56.4	Low	62.4	Low	163 Å²	163	73 Å²	73	76%	0.762	40%	0.402	S	S	*	.			trans	-57.3	118.8	173	-63.4	-167.9	163.5	0	0	111	N356	E354-N356 PolarHBondContact O-N 3.44Å
355	A	60.2	Low	64.6	Low	10 Å²	10	70.1 Å²	70.1	8%	0.083	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-9.6	-177.5	0	0	0	0	0	114.2	G304 K308 Q353 T361	G304-A355 WeakPolarHBondContact CA-O 3.37Å; K308-A355 HydrophobicContact CB-CB 4.05Å; K308-A355 HydrophobicContact CD-CB 4.01Å; Q353-A355 PolarHBondContact O-N 3.18Å; Q353-A355 VanDerWaalsContact O-N 3.15Å; A355-T361 PolarHBondContact O-OG1 2.8Å
356	N	65.6	Low	66.5	Low	69 Å²	69	74.1 Å²	74.1	37%	0.369	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-0.6	-168.3	-63.9	-20	0	0	0	114.6	K301 K305 E354	K301-N356 PolarHBondContact O-ND2 3.09Å; K301-N356 PolarHBondContact O-OD1 3.35Å; K305-N356 PolarHBondContact N-OD1 3.28Å; E354-N356 PolarHBondContact O-N 3.44Å
357	S	74.2	Confident	68.2	Low	53 Å²	53	74.1 Å²	74.1	37%	0.371	38%	0.384	S	S	.	.	S	Bend	trans	-68	150.8	167.4	73.1	0	0	0	0	110.2	T359 Q360 T361	S357-T359 PolarHBondContact O-N 3Å; S357-Q360 PolarHBondContact O-N 3.26Å; S357-Q360 WeakPolarHBondContact OG-CB 3.31Å; S357-Q360 VanDerWaalsContact OG-CG 3.3Å; S357-Q360 WeakPolarHBondContact OG-CG 3.07Å; S357-Q360 PolarHBondContact OG-N 3.38Å; S357-T361 WeakPolarHBondContact O-CB 3.43Å; S357-T361 PolarHBondContact O-N 3.44Å; S357-T361 PolarHBondContact O-OG1 3.29Å
358	T	79	Confident	70.3	Confident	116 Å²	116	68.8 Å²	68.8	71%	0.712	36%	0.357	S	S	*	.	H	α-helix	trans	-55.4	-43.5	179.5	-45	0	0	0	0	111.1	T361 V362	T358-T361 PolarHBondContact O-N 3.04Å; T358-V362 WeakPolarHBondContact O-CG2 3.4Å; T358-V362 PolarHBondContact O-N 3.49Å
359	T	80.6	Confident	72.1	Confident	115 Å²	115	66.7 Å²	66.7	71%	0.706	35%	0.35	S	S	*	.	H	α-helix	trans	-63.7	-44.2	178.6	-42.2	0	0	0	0	112.5	S357 L363	S357-T359 PolarHBondContact O-N 3Å; T359-L363 WeakPolarHBondContact O-CB 3.47Å; T359-L363 PolarHBondContact O-N 3.32Å
360	Q	80.9	Confident	73.8	Confident	16 Å²	16	66 Å²	66	8%	0.075	34%	0.344	C	S	.	.	H	α-helix	trans	-67	-38.7	175.5	-73.5	-75.4	-21.8	0	0	111.3	S351 S357 V362 L363 W364	S351-Q360 PolarHBondContact OG-NE2 3.07Å; S351-Q360 PolarHBondContact OG-OE1 3.08Å; S357-Q360 PolarHBondContact O-N 3.26Å; S357-Q360 WeakPolarHBondContact OG-CB 3.31Å; S357-Q360 VanDerWaalsContact OG-CG 3.3Å; S357-Q360 WeakPolarHBondContact OG-CG 3.07Å; S357-Q360 PolarHBondContact OG-N 3.38Å; Q360-V362 PolarHBondContact O-N 2.98Å; Q360-L363 WeakPolarHBondContact O-CB 3.21Å; Q360-L363 PolarHBondContact O-N 2.87Å; Q360-W364 PolarHBondContact O-N 2.88Å
361	T	83.2	Confident	75.4	Confident	27 Å²	27	61 Å²	61	17%	0.166	33%	0.326	C	S	.	.	H	α-helix	trans	-60.2	-47.3	177.8	-55.7	0	0	0	0	111.3	L307 A355 S357 T358 W364 Q365	L307-T361 HydrophobicContact CD1-CG2 3.88Å; A355-T361 PolarHBondContact O-OG1 2.8Å; S357-T361 WeakPolarHBondContact O-CB 3.43Å; S357-T361 PolarHBondContact O-N 3.44Å; S357-T361 PolarHBondContact O-OG1 3.29Å; T358-T361 PolarHBondContact O-N 3.04Å; T361-W364 PolarHBondContact O-N 2.74Å; T361-Q365 PolarHBondContact O-N 3.41Å
362	V	86.2	Confident	76.8	Confident	90 Å²	90	60.9 Å²	60.9	55%	0.545	32%	0.324	S	S	.	.	H	α-helix	trans	-63.9	-40.3	175	173.1	0	0	0	0	111.6	T358 Q360 W364 Q365 R366	T358-V362 WeakPolarHBondContact O-CG2 3.4Å; T358-V362 PolarHBondContact O-N 3.49Å; Q360-V362 PolarHBondContact O-N 2.98Å; V362-W364 PolarHBondContact O-N 3.27Å; V362-Q365 PolarHBondContact O-N 2.93Å; V362-R366 WeakPolarHBondContact O-CB 3.38Å; V362-R366 PolarHBondContact O-N 3.18Å
363	L	85	Confident	78.3	Confident	65 Å²	65	61.5 Å²	61.5	34%	0.34	32%	0.316	S	S	.	.	H	α-helix	trans	-60.1	-43.7	176.1	-176.5	71.9	0	0	0	112	T359 Q360 R367	T359-L363 WeakPolarHBondContact O-CB 3.47Å; T359-L363 PolarHBondContact O-N 3.32Å; Q360-L363 WeakPolarHBondContact O-CB 3.21Å; Q360-L363 PolarHBondContact O-N 2.87Å; L363-R367 VanDerWaalsContact O-CG 3.29Å; L363-R367 WeakPolarHBondContact O-CG 3.36Å; L363-R367 PolarHBondContact O-N 2.99Å
364	W	85.8	Confident	79.3	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-70.3	-40.3	177.4	-69.5	115.3	0	0	0	112.5	L307 K308 T311 E312 Q360 T361 V362 R366 R367 L368 L380	L307-W364 HydrophobicContact CB-CB 3.78Å; K308-W364 HydrophobicContact CB-CD2 3.97Å; K308-W364 HydrophobicContact CB-CE3 4.47Å; K308-W364 HydrophobicContact CB-CG 4.25Å; K308-W364 HydrophobicContact CB-CZ2 4.14Å; K308-W364 HydrophobicContact CD-CH2 4.26Å; K308-W364 HydrophobicContact CD-CZ2 3.63Å; K308-W364 HydrophobicContact CG-CD2 4.28Å; K308-W364 HydrophobicContact CG-CH2 3.88Å; K308-W364 HydrophobicContact CG-CZ2 3.59Å; K308-W364 HydrophobicContact CG-CZ3 4.36Å; T311-W364 HydrophobicContact CG2-CE3 4.49Å; E312-W364 HydrophobicContact CG-CH2 4.19Å; E312-W364 HydrophobicContact CG-CZ3 4.14Å; E312-W364 WeakPolarHBondContact OE1-CH2 3.3Å; Q360-W364 PolarHBondContact O-N 2.88Å; T361-W364 PolarHBondContact O-N 2.74Å; V362-W364 PolarHBondContact O-N 3.27Å; W364-R366 VanDerWaalsContact C-N 3.32Å; W364-R366 PolarHBondContact O-N 3.46Å; W364-R367 VanDerWaalsContact CZ3-NH1 3.33Å; W364-R367 PolarHBondContact O-N 3.35Å; W364-L368 WeakPolarHBondContact O-CB 3.32Å; W364-L368 PolarHBondContact O-N 2.71Å; W364-L380 HydrophobicContact CH2-CD2 4.38Å; W364-L380 HydrophobicContact CZ3-CD1 4.26Å; W364-L380 HydrophobicContact CZ3-CD2 4Å
365	Q	88.2	Confident	79.8	Confident	70 Å²	70	56.7 Å²	56.7	33%	0.327	31%	0.309	S	S	.	.	H	α-helix	trans	-61.6	-40.5	174.9	-168.5	172	7.3	0	0	111.7	D292 L307 T361 V362 L368 S369	D292-Q365 PolarHBondContact OD1-NE2 2.89Å; L307-Q365 HydrophobicContact CD1-CB 4.08Å; L307-Q365 HydrophobicContact CD2-CB 4.49Å; T361-Q365 PolarHBondContact O-N 3.41Å; V362-Q365 PolarHBondContact O-N 2.93Å; Q365-L368 PolarHBondContact O-N 3.23Å; Q365-S369 PolarHBondContact O-N 2.71Å
366	R	85.6	Confident	79.8	Confident	173 Å²	173	57.7 Å²	57.7	65%	0.653	32%	0.316	S	S	*	.	H	α-helix	trans	-60.8	-50.8	172.3	178.3	173.2	176.2	170	1.8	112	V362 W364 L368 S369 D370	V362-R366 WeakPolarHBondContact O-CB 3.38Å; V362-R366 PolarHBondContact O-N 3.18Å; W364-R366 VanDerWaalsContact C-N 3.32Å; W364-R366 PolarHBondContact O-N 3.46Å; R366-L368 VanDerWaalsContact C-N 3.26Å; R366-L368 PolarHBondContact O-N 3.17Å; R366-S369 WeakPolarHBondContact O-CA 3.31Å; R366-S369 WeakPolarHBondContact O-CB 3.1Å; R366-S369 PolarHBondContact O-N 2.99Å; R366-S369 VanDerWaalsContact O-N 3.11Å; R366-S369 PolarHBondContact O-OG 2.87Å; R366-D370 WeakPolarHBondContact CG-OD2 3.32Å; R366-D370 IonicContact NE-OD2 2.76Å; R366-D370 PolarHBondContact NE-OD2 2.84Å; R366-D370 PolarHBondContact O-N 3.15Å; R366-D370 VanDerWaalsContact O-OD1 3.11Å
367	R	85.3	Confident	79	Confident	16 Å²	16	58.1 Å²	58.1	6%	0.06	32%	0.321	C	S	.	.	H	α-helix	trans	-57.1	-39	178.2	-73.1	166.1	175.5	-167.5	-3.5	112.8	T311 L363 W364 D370 L371 I378	T311-R367 HydrophobicContact CG2-CB 3.99Å; L363-R367 VanDerWaalsContact O-CG 3.29Å; L363-R367 WeakPolarHBondContact O-CG 3.36Å; L363-R367 PolarHBondContact O-N 2.99Å; W364-R367 VanDerWaalsContact CZ3-NH1 3.33Å; W364-R367 PolarHBondContact O-N 3.35Å; R367-D370 PolarHBondContact O-N 3.32Å; R367-L371 VanDerWaalsContact O-CB 3.31Å; R367-L371 WeakPolarHBondContact O-CB 3.18Å; R367-L371 PolarHBondContact O-N 2.82Å; R367-I378 HydrophobicContact CG-CD1 4.39Å
368	L	86.5	Confident	77.9	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-64.9	-45.4	176.3	-172.7	52.3	0	0	0	111.3	I291 L307 L310 T311 L314 W364 Q365 R366 D370 L371 L372	I291-L368 HydrophobicContact CD1-CD1 4.48Å; I291-L368 HydrophobicContact CD1-CD2 4.04Å; I291-L368 HydrophobicContact CD1-CG 4.19Å; I291-L368 HydrophobicContact CG2-CD2 3.96Å; L307-L368 HydrophobicContact CD2-CD2 3.56Å; L310-L368 HydrophobicContact CD2-CD2 3.82Å; L310-L368 HydrophobicContact CG-CD1 4.36Å; L310-L368 HydrophobicContact CG-CD2 4.28Å; T311-L368 HydrophobicContact CG2-CB 4.32Å; T311-L368 HydrophobicContact CG2-CD1 4.48Å; L314-L368 HydrophobicContact CD2-CD1 3.56Å; W364-L368 WeakPolarHBondContact O-CB 3.32Å; W364-L368 PolarHBondContact O-N 2.71Å; Q365-L368 PolarHBondContact O-N 3.23Å; R366-L368 VanDerWaalsContact C-N 3.26Å; R366-L368 PolarHBondContact O-N 3.17Å; L368-D370 VanDerWaalsContact C-N 3.33Å; L368-D370 PolarHBondContact O-N 3.04Å; L368-L371 PolarHBondContact O-N 3.1Å; L368-L372 HydrophobicContact CD1-CD1 4.06Å; L368-L372 HydrophobicContact CD1-CG 4.44Å; L368-L372 HydrophobicContact CG-CD1 4.02Å; L368-L372 WeakPolarHBondContact O-CB 3.42Å; L368-L372 WeakPolarHBondContact O-CD1 3.48Å; L368-L372 VanDerWaalsContact O-CG 3.23Å; L368-L372 WeakPolarHBondContact O-CG 3.21Å; L368-L372 PolarHBondContact O-N 2.71Å
369	S	85.6	Confident	76.7	Confident	19 Å²	19	52 Å²	52	13%	0.133	28%	0.279	C	S	.	.	H	α-helix	trans	-52.3	-49.9	168.9	135.3	0	0	0	0	111.8	Q365 R366 L372 K373	Q365-S369 PolarHBondContact O-N 2.71Å; R366-S369 WeakPolarHBondContact O-CA 3.31Å; R366-S369 WeakPolarHBondContact O-CB 3.1Å; R366-S369 PolarHBondContact O-N 2.99Å; R366-S369 VanDerWaalsContact O-N 3.11Å; R366-S369 PolarHBondContact O-OG 2.87Å; S369-L372 PolarHBondContact O-N 3.25Å; S369-K373 WeakPolarHBondContact O-CB 3.48Å; S369-K373 WeakPolarHBondContact O-CD 3.4Å; S369-K373 WeakPolarHBondContact O-CG 3.4Å; S369-K373 PolarHBondContact O-N 3.26Å; S369-K373 WeakPolarHBondContact OG-CE 3.45Å; S369-K373 PolarHBondContact OG-NZ 3.31Å
370	D	82.4	Confident	75.3	Confident	30 Å²	30	46.8 Å²	46.8	16%	0.16	25%	0.247	C	C	.	.	H	α-helix	trans	-74.2	-32.5	-169.8	-59	-5.8	0	0	0	110.6	R366 R367 L368 G374 Q375 S376	R366-D370 WeakPolarHBondContact CG-OD2 3.32Å; R366-D370 IonicContact NE-OD2 2.76Å; R366-D370 PolarHBondContact NE-OD2 2.84Å; R366-D370 PolarHBondContact O-N 3.15Å; R366-D370 VanDerWaalsContact O-OD1 3.11Å; R367-D370 PolarHBondContact O-N 3.32Å; L368-D370 VanDerWaalsContact C-N 3.33Å; L368-D370 PolarHBondContact O-N 3.04Å; D370-G374 PolarHBondContact O-N 3.2Å; D370-Q375 PolarHBondContact O-N 3.35Å; D370-S376 PolarHBondContact O-N 2.95Å; D370-S376 VanDerWaalsContact O-N 3.16Å
371	L	81.7	Confident	74	Confident	13 Å²	13	47.8 Å²	47.8	7%	0.068	26%	0.261	C	S	.	.	H	α-helix	trans	-65.9	-49.7	169.2	180	60.6	0	0	0	111.9	T311 L314 A315 F318 R367 L368 K373 G374	T311-L371 HydrophobicContact CG2-CD2 4.31Å; L314-L371 HydrophobicContact CB-CD2 3.95Å; L314-L371 HydrophobicContact CD2-CD2 3.93Å; L314-L371 HydrophobicContact CD2-CG 4.5Å; L314-L371 HydrophobicContact CG-CD2 3.83Å; A315-L371 HydrophobicContact CB-CD2 4.14Å; F318-L371 HydrophobicContact CB-CD1 4.05Å; F318-L371 HydrophobicContact CD2-CD1 3.89Å; F318-L371 HydrophobicContact CD2-CG 4.08Å; F318-L371 HydrophobicContact CE2-CG 4.29Å; F318-L371 HydrophobicContact CG-CD1 3.92Å; R367-L371 VanDerWaalsContact O-CB 3.31Å; R367-L371 WeakPolarHBondContact O-CB 3.18Å; R367-L371 PolarHBondContact O-N 2.82Å; L368-L371 PolarHBondContact O-N 3.1Å; L371-K373 VanDerWaalsContact C-N 3.28Å; L371-K373 PolarHBondContact O-N 2.87Å; L371-G374 PolarHBondContact O-N 3.28Å
372	L	81.7	Confident	72.9	Confident	6 Å²	6	47 Å²	47	3%	0.031	26%	0.257	C	S	.	.	H	α-helix	trans	-63.8	-31.9	177.9	-70.8	163.1	0	0	0	112.4	K233 L237 I291 L314 F318 L368 S369 G374	K233-L372 VanDerWaalsContact CD-O 3.27Å; K233-L372 WeakPolarHBondContact CD-O 3.48Å; K233-L372 WeakPolarHBondContact CE-O 3.5Å; K233-L372 PolarHBondContact NZ-O 3.49Å; L237-L372 HydrophobicContact CD1-CD2 4.26Å; I291-L372 HydrophobicContact CD1-CD1 3.53Å; L314-L372 HydrophobicContact CD2-CD2 3.99Å; L314-L372 HydrophobicContact CD2-CG 4.29Å; F318-L372 HydrophobicContact CZ-CD2 4.4Å; L368-L372 HydrophobicContact CD1-CD1 4.06Å; L368-L372 HydrophobicContact CD1-CG 4.44Å; L368-L372 HydrophobicContact CG-CD1 4.02Å; L368-L372 WeakPolarHBondContact O-CB 3.42Å; L368-L372 WeakPolarHBondContact O-CD1 3.48Å; L368-L372 VanDerWaalsContact O-CG 3.23Å; L368-L372 WeakPolarHBondContact O-CG 3.21Å; L368-L372 PolarHBondContact O-N 2.71Å; S369-L372 PolarHBondContact O-N 3.25Å; L372-G374 VanDerWaalsContact C-N 3.28Å; L372-G374 PolarHBondContact O-N 3.05Å
373	K	78.5	Confident	72	Confident	114 Å²	114	45.9 Å²	45.9	50%	0.496	25%	0.247	S	C	.	.	H	α-helix	trans	-69.1	-25.7	172	-73.6	164.7	-173.7	165.3	0	112.6	K233 S369 L371 Q375	K233-K373 VanDerWaalsContact NZ-C 3.34Å; K233-K373 PolarHBondContact NZ-O 3.15Å; S369-K373 WeakPolarHBondContact O-CB 3.48Å; S369-K373 WeakPolarHBondContact O-CD 3.4Å; S369-K373 WeakPolarHBondContact O-CG 3.4Å; S369-K373 PolarHBondContact O-N 3.26Å; S369-K373 WeakPolarHBondContact OG-CE 3.45Å; S369-K373 PolarHBondContact OG-NZ 3.31Å; L371-K373 VanDerWaalsContact C-N 3.28Å; L371-K373 PolarHBondContact O-N 2.87Å; K373-Q375 HydrophobicContact CB-CB 4.3Å; K373-Q375 HydrophobicContact CB-CG 3.88Å; K373-Q375 VanDerWaalsContact CD-OE1 3.29Å
374	G	71.8	Confident	71.8	Confident	57 Å²	57	43 Å²	43	59%	0.588	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.8	20.9	-170.2	0	0	0	0	0	112.8	D370 L371 L372	D370-G374 PolarHBondContact O-N 3.2Å; L371-G374 PolarHBondContact O-N 3.28Å; L372-G374 VanDerWaalsContact C-N 3.28Å; L372-G374 PolarHBondContact O-N 3.05Å
375	Q	67	Low	71.9	Confident	131 Å²	131	43.4 Å²	43.4	61%	0.612	23%	0.234	S	C	*	.			trans	-100.5	-7.1	-176.9	-68.7	175.7	-26.4	0	0	113	D370 K373 T377	D370-Q375 PolarHBondContact O-N 3.35Å; K373-Q375 HydrophobicContact CB-CB 4.3Å; K373-Q375 HydrophobicContact CB-CG 3.88Å; K373-Q375 VanDerWaalsContact CD-OE1 3.29Å; Q375-T377 PolarHBondContact O-N 2.86Å
376	S	61.3	Low	72	Confident	31 Å²	31	40.5 Å²	40.5	22%	0.217	22%	0.22	C	C	.	.			trans	-76.7	103.8	-177.5	177.9	0	0	0	0	112.9	D370 I378	D370-S376 PolarHBondContact O-N 2.95Å; D370-S376 VanDerWaalsContact O-N 3.16Å; S376-I378 PolarHBondContact O-N 2.98Å; S376-I378 PolarHBondContact OG-N 3.17Å; S376-I378 PolarHBondContact OG-O 3.29Å
377	T	49.3	Very low	72.1	Confident	77 Å²	77	36.1 Å²	36.1	47%	0.472	21%	0.207	S	C	.	.			trans	-78.4	5.1	159.4	56.6	0	0	0	0	113	P346 Q375	P346-T377 VanDerWaalsContact CA-O 3.23Å; P346-T377 WeakPolarHBondContact CA-O 3.39Å; P346-T377 WeakPolarHBondContact CB-O 3.32Å; Q375-T377 PolarHBondContact O-N 2.86Å
378	I	50.5	Low	72.4	Confident	37 Å²	37	42.8 Å²	42.8	19%	0.19	23%	0.232	C	C	.	.			trans	-84.2	119.6	-175.1	-55	177.7	0	0	0	109.5	I347 V349 R367 S376 L380	I347-I378 WeakPolarHBondContact O-CG2 3.45Å; V349-I378 HydrophobicContact CG2-CG2 4.41Å; R367-I378 HydrophobicContact CG-CD1 4.39Å; S376-I378 PolarHBondContact O-N 2.98Å; S376-I378 PolarHBondContact OG-N 3.17Å; S376-I378 PolarHBondContact OG-O 3.29Å; I378-L380 HydrophobicContact CG2-CD2 3.58Å; I378-L380 HydrophobicContact CG2-CG 3.86Å; I378-L380 PolarHBondContact O-N 3.04Å
379	I	52.7	Low	72.7	Confident	3 Å²	3	43.6 Å²	43.6	2%	0.015	24%	0.235	C	C	.	.			trans	-81.8	104.1	163.6	-62.4	170.7	0	0	0	108	Y142 P346 F348 S382	Y142-I379 HydrophobicContact CE1-CD1 3.97Å; P346-I379 HydrophobicContact CB-CD1 3.66Å; P346-I379 HydrophobicContact CB-CG1 3.73Å; P346-I379 HydrophobicContact CG-CD1 3.48Å; P346-I379 VanDerWaalsContact CG-CD1 3.48Å; P346-I379 HydrophobicContact CG-CG1 4.15Å; F348-I379 HydrophobicContact CD1-CB 3.78Å; F348-I379 HydrophobicContact CD1-CD1 4.49Å; F348-I379 HydrophobicContact CD1-CG2 3.85Å; F348-I379 HydrophobicContact CE1-CB 3.76Å; F348-I379 HydrophobicContact CE1-CD1 3.69Å; F348-I379 HydrophobicContact CE1-CG1 4.32Å; F348-I379 HydrophobicContact CE1-CG2 3.67Å; F348-I379 HydrophobicContact CZ-CD1 3.77Å; I379-S382 WeakPolarHBondContact CG2-O 3.33Å
380	L	52.7	Low	73	Confident	7 Å²	7	45.4 Å²	45.4	4%	0.037	25%	0.248	C	C	.	.			trans	-85.8	144	170.5	-63.1	172.7	0	0	0	110.2	T311 A315 W364 I378 S382	T311-L380 HydrophobicContact CG2-CD1 3.55Å; A315-L380 HydrophobicContact CB-CB 4.47Å; W364-L380 HydrophobicContact CH2-CD2 4.38Å; W364-L380 HydrophobicContact CZ3-CD1 4.26Å; W364-L380 HydrophobicContact CZ3-CD2 4Å; I378-L380 HydrophobicContact CG2-CD2 3.58Å; I378-L380 HydrophobicContact CG2-CG 3.86Å; I378-L380 PolarHBondContact O-N 3.04Å; L380-S382 PolarHBondContact O-N 3.08Å
381	G	52.6	Low	73.5	Confident	36 Å²	36	48.7 Å²	48.7	37%	0.371	27%	0.269	S	S	.	.	S	Bend	trans	74.6	-55.7	173.2	0	0	0	0	0	115.8	M383	G381-M383 PolarHBondContact O-N 2.89Å
382	S	59.7	Low	74	Confident	11 Å²	11	52.1 Å²	52.1	8%	0.077	29%	0.288	C	S	.	.			trans	-95.5	92.4	-169.3	47	0	0	0	0	113.3	P143 F348 I379 L380	P143-S382 WeakPolarHBondContact CD-OG 3.37Å; F348-S382 WeakPolarHBondContact CE1-O 3.44Å; I379-S382 WeakPolarHBondContact CG2-O 3.33Å; L380-S382 PolarHBondContact O-N 3.08Å
383	M	67.1	Low	74.7	Confident	67 Å²	67	51.9 Å²	51.9	33%	0.33	29%	0.287	S	S	.	.			trans	-67.9	138.4	169.5	-175.9	171.6	179.4	0	0	110.8	G381 F385 K458	G381-M383 PolarHBondContact O-N 2.89Å; M383-F385 PolarHBondContact O-N 3.24Å; M383-K458 HydrophobicContact CE-CD 4.45Å; M383-K458 HydrophobicContact CE-CG 3.62Å; M383-K458 HydrophobicContact SD-CG 3.88Å
384	D	82.7	Confident	75.4	Confident	5 Å²	5	47.3 Å²	47.3	3%	0.027	27%	0.269	C	S	.	.			trans	-72	91.9	166.7	-175.9	0.7	0	0	0	110	Y142 K326 F348 T386 Q387	Y142-D384 HydrophobicContact CE1-CB 3.93Å; Y142-D384 PolarHBondContact OH-OD2 2.94Å; K326-D384 IonicContact NZ-OD2 2.87Å; K326-D384 PolarHBondContact NZ-OD2 3.03Å; F348-D384 HydrophobicContact CE1-CB 4.48Å; F348-D384 HydrophobicContact CZ-CB 3.96Å; D384-T386 PolarHBondContact O-N 3.43Å; D384-T386 WeakPolarHBondContact OD1-CA 3.19Å; D384-T386 WeakPolarHBondContact OD1-CB 3.2Å; D384-T386 PolarHBondContact OD1-N 2.71Å; D384-T386 PolarHBondContact OD1-OG1 2.81Å; D384-Q387 WeakPolarHBondContact O-CB 3.46Å; D384-Q387 PolarHBondContact O-N 3.28Å; D384-Q387 VanDerWaalsContact O-N 3.15Å
385	F	87.7	Confident	76.4	Confident	8 Å²	8	48 Å²	48	4%	0.035	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.7	176.7	55	-88.7	0	0	0	112.8	S79 C81 P141 M383 Q387 W389 Y397 L407 Y411 K458	S79-F385 WeakPolarHBondContact OG-CE1 3.48Å; S79-F385 WeakPolarHBondContact OG-CZ 3.34Å; C81-F385 HydrophobicContact CB-CD1 4.25Å; C81-F385 HydrophobicContact CB-CE1 3.99Å; P141-F385 HydrophobicContact CB-CE1 3.84Å; P141-F385 HydrophobicContact CB-CE2 4.36Å; P141-F385 HydrophobicContact CB-CZ 3.76Å; P141-F385 VanDerWaalsContact O-CE1 3.3Å; P141-F385 WeakPolarHBondContact O-CE1 3.39Å; M383-F385 PolarHBondContact O-N 3.24Å; F385-Q387 PolarHBondContact O-N 3.18Å; F385-W389 AromaticContact CD2-CH2 3.81Å; F385-W389 HydrophobicContact CD2-CH2 3.81Å; F385-W389 AromaticContact CD2-CZ2 3.89Å; F385-W389 HydrophobicContact CD2-CZ2 3.89Å; F385-W389 HydrophobicContact CE2-CH2 4.02Å; F385-W389 PolarHBondContact O-NE1 3.24Å; F385-Y397 HydrophobicContact CE2-CE1 4.29Å; F385-Y397 HydrophobicContact CE2-CE2 4.3Å; F385-Y397 HydrophobicContact CZ-CE1 4.1Å; F385-Y397 HydrophobicContact CZ-CE2 4.25Å; F385-Y397 AromaticContact CZ-CZ 3.76Å; F385-L407 HydrophobicContact CE2-CD1 3.88Å; F385-L407 HydrophobicContact CZ-CD1 4.47Å; F385-Y411 HydrophobicContact CB-CD1 3.47Å; F385-Y411 VanDerWaalsContact CB-CD1 3.47Å; F385-Y411 HydrophobicContact CB-CD2 4.35Å; F385-Y411 HydrophobicContact CB-CE1 3.85Å; F385-Y411 HydrophobicContact CB-CG 3.75Å; F385-Y411 HydrophobicContact CD2-CD2 4.32Å; F385-Y411 HydrophobicContact CD2-CG 4.5Å; F385-Y411 HydrophobicContact CG-CD1 4.29Å; F385-Y411 HydrophobicContact CG-CD2 4.35Å; F385-Y411 HydrophobicContact CG-CG 4.08Å; F385-K458 VanDerWaalsContact O-CE 3.31Å; F385-K458 WeakPolarHBondContact O-CE 3.49Å; F385-K458 PolarHBondContact O-NZ 3.38Å
386	T	90.6	Very high	77.8	Confident	8 Å²	8	42.6 Å²	42.6	5%	0.049	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-7.4	175.9	72.8	0	0	0	0	113.2	P141 D384 R388 W389 Y397 F398	P141-T386 HydrophobicContact CB-CG2 3.82Å; P141-T386 HydrophobicContact CG-CG2 4.42Å; D384-T386 PolarHBondContact O-N 3.43Å; D384-T386 WeakPolarHBondContact OD1-CA 3.19Å; D384-T386 WeakPolarHBondContact OD1-CB 3.2Å; D384-T386 PolarHBondContact OD1-N 2.71Å; D384-T386 PolarHBondContact OD1-OG1 2.81Å; T386-R388 PolarHBondContact O-N 3.11Å; T386-W389 HydrophobicContact CG2-CD2 4.34Å; T386-W389 HydrophobicContact CG2-CE3 3.78Å; T386-W389 HydrophobicContact CG2-CH2 4.2Å; T386-W389 HydrophobicContact CG2-CZ3 3.72Å; T386-W389 VanDerWaalsContact O-CB 3.27Å; T386-W389 WeakPolarHBondContact O-CB 3.46Å; T386-W389 PolarHBondContact O-N 3.06Å; T386-Y397 HydrophobicContact CG2-CD1 3.93Å; T386-Y397 HydrophobicContact CG2-CE1 4.31Å; T386-F398 HydrophobicContact CG2-CE1 4.46Å
387	Q	87.5	Confident	79.4	Confident	82 Å²	82	41.3 Å²	41.3	38%	0.383	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	128.6	178.5	-168.5	-176.3	23.9	0	0	111.5	D384 F385 W389 K458	D384-Q387 WeakPolarHBondContact O-CB 3.46Å; D384-Q387 PolarHBondContact O-N 3.28Å; D384-Q387 VanDerWaalsContact O-N 3.15Å; F385-Q387 PolarHBondContact O-N 3.18Å; Q387-W389 VanDerWaalsContact C-N 3.27Å; Q387-W389 PolarHBondContact O-N 3.21Å; Q387-K458 WeakPolarHBondContact O-CE 3.36Å; Q387-K458 PolarHBondContact O-NZ 3Å
388	R	90.2	Very high	81.5	Confident	155 Å²	155	39.2 Å²	39.2	59%	0.585	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.8	4.2	-173.3	-52.2	-176.2	174.7	-170.7	-4.9	116.8	T386 L453	T386-R388 PolarHBondContact O-N 3.11Å; R388-L453 HydrophobicContact CB-CD1 4.31Å; R388-L453 HydrophobicContact CB-CD2 4.4Å; R388-L453 PolarHBondContact NH1-O 2.99Å; R388-L453 WeakPolarHBondContact O-CD1 3.42Å; R388-L453 VanDerWaalsContact O-CD2 3.31Å; R388-L453 WeakPolarHBondContact O-CD2 3.27Å
389	W	93	Very high	83.6	Confident	18 Å²	18	41.1 Å²	41.1	7%	0.068	21%	0.214	C	C	.	.			trans	-62.7	157.6	167.6	-71.8	5.8	0	0	0	110.9	F385 T386 Q387 L393 Y397 L407 Y411 F446 E450	F385-W389 AromaticContact CD2-CH2 3.81Å; F385-W389 HydrophobicContact CD2-CH2 3.81Å; F385-W389 AromaticContact CD2-CZ2 3.89Å; F385-W389 HydrophobicContact CD2-CZ2 3.89Å; F385-W389 HydrophobicContact CE2-CH2 4.02Å; F385-W389 PolarHBondContact O-NE1 3.24Å; T386-W389 HydrophobicContact CG2-CD2 4.34Å; T386-W389 HydrophobicContact CG2-CE3 3.78Å; T386-W389 HydrophobicContact CG2-CH2 4.2Å; T386-W389 HydrophobicContact CG2-CZ3 3.72Å; T386-W389 VanDerWaalsContact O-CB 3.27Å; T386-W389 WeakPolarHBondContact O-CB 3.46Å; T386-W389 PolarHBondContact O-N 3.06Å; Q387-W389 VanDerWaalsContact C-N 3.27Å; Q387-W389 PolarHBondContact O-N 3.21Å; W389-L393 HydrophobicContact CB-CB 4.44Å; W389-L393 HydrophobicContact CB-CD2 4.01Å; W389-L393 HydrophobicContact CB-CG 4.39Å; W389-L393 HydrophobicContact CD2-CD2 3.62Å; W389-L393 HydrophobicContact CD2-CG 3.95Å; W389-L393 HydrophobicContact CE3-CD2 3.87Å; W389-L393 HydrophobicContact CE3-CG 3.64Å; W389-L393 HydrophobicContact CG-CD2 3.7Å; W389-L393 HydrophobicContact CG-CG 4.31Å; W389-L393 HydrophobicContact CZ3-CG 4.19Å; W389-Y397 HydrophobicContact CZ3-CG 4.39Å; W389-L407 HydrophobicContact CH2-CD1 4.38Å; W389-L407 HydrophobicContact CH2-CD2 4.07Å; W389-Y411 HydrophobicContact CZ2-CE2 4.28Å; W389-F446 HydrophobicContact CH2-CD1 4.27Å; W389-F446 AromaticContact CH2-CE1 3.63Å; W389-F446 HydrophobicContact CH2-CE1 3.63Å; W389-F446 HydrophobicContact CH2-CZ 4.39Å; W389-F446 AromaticContact CZ2-CD1 3.93Å; W389-F446 HydrophobicContact CZ2-CD1 3.93Å; W389-F446 AromaticContact CZ2-CE1 3.72Å; W389-F446 HydrophobicContact CZ2-CE1 3.72Å; W389-F446 HydrophobicContact CZ3-CE1 4.29Å; W389-E450 PolarHBondContact NE1-OE1 3.47Å
390	S	93.1	Very high	85.6	Confident	58 Å²	58	41.2 Å²	41.2	41%	0.406	21%	0.214	S	C	.	.			trans	-64	156.8	171.3	68.3	0	0	0	0	110.8	N392 L393 S394	S390-N392 PolarHBondContact O-N 3.06Å; S390-L393 PolarHBondContact O-N 3.28Å; S390-L393 VanDerWaalsContact OG-CB 3.3Å; S390-L393 WeakPolarHBondContact OG-CB 3.35Å; S390-L393 PolarHBondContact OG-N 3.13Å; S390-S394 WeakPolarHBondContact O-CB 3.29Å; S390-S394 PolarHBondContact O-N 2.91Å; S390-S394 PolarHBondContact O-OG 3.24Å
391	T	91.7	Very high	87.6	Confident	98 Å²	98	43.4 Å²	43.4	60%	0.601	22%	0.223	S	C	*	.	H	α-helix	trans	-55.6	-42.4	175.6	-51.3	0	0	0	0	111.1	S394 Q395	T391-S394 PolarHBondContact O-N 2.99Å; T391-Q395 WeakPolarHBondContact O-CB 3.29Å; T391-Q395 WeakPolarHBondContact O-CG 3.42Å; T391-Q395 PolarHBondContact O-N 3.43Å
392	N	93.2	Very high	89.6	Confident	85 Å²	85	42.1 Å²	42.1	46%	0.455	21%	0.208	S	C	.	.	H	α-helix	trans	-63.3	-50.5	179.3	-64.1	36.6	0	0	0	112	S390 S394 Q395 L396 E623	S390-N392 PolarHBondContact O-N 3.06Å; N392-S394 VanDerWaalsContact C-N 3.3Å; N392-S394 PolarHBondContact O-N 2.91Å; N392-Q395 PolarHBondContact O-N 2.94Å; N392-L396 WeakPolarHBondContact O-CB 3.27Å; N392-L396 PolarHBondContact O-N 3.43Å; N392-E623 HydrophobicContact CB-CB 4.18Å; N392-E623 HydrophobicContact CB-CG 4.47Å; N392-E623 WeakPolarHBondContact CB-OE2 3.48Å; N392-E623 PolarHBondContact ND2-OE2 3.08Å
393	L	95.4	Very high	91.3	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-63.3	-37.6	178.9	-177.7	65	0	0	0	111.8	W389 S390 L396 Y397 F446 I449 L620 L624	W389-L393 HydrophobicContact CB-CB 4.44Å; W389-L393 HydrophobicContact CB-CD2 4.01Å; W389-L393 HydrophobicContact CB-CG 4.39Å; W389-L393 HydrophobicContact CD2-CD2 3.62Å; W389-L393 HydrophobicContact CD2-CG 3.95Å; W389-L393 HydrophobicContact CE3-CD2 3.87Å; W389-L393 HydrophobicContact CE3-CG 3.64Å; W389-L393 HydrophobicContact CG-CD2 3.7Å; W389-L393 HydrophobicContact CG-CG 4.31Å; W389-L393 HydrophobicContact CZ3-CG 4.19Å; S390-L393 PolarHBondContact O-N 3.28Å; S390-L393 VanDerWaalsContact OG-CB 3.3Å; S390-L393 WeakPolarHBondContact OG-CB 3.35Å; S390-L393 PolarHBondContact OG-N 3.13Å; L393-L396 HydrophobicContact CD1-CD2 4.47Å; L393-L396 PolarHBondContact O-N 3.22Å; L393-Y397 PolarHBondContact O-N 3.21Å; L393-F446 HydrophobicContact CD1-CE1 4.15Å; L393-F446 HydrophobicContact CD1-CZ 4.34Å; L393-F446 HydrophobicContact CD2-CE1 4.41Å; L393-I449 HydrophobicContact CD2-CD1 3.91Å; L393-I449 HydrophobicContact CD2-CG2 4.15Å; L393-L620 HydrophobicContact CD1-CD1 3.53Å; L393-L624 HydrophobicContact CD1-CD2 4.46Å; L393-L624 HydrophobicContact CD2-CD2 4.29Å
394	S	93.7	Very high	92.3	Very high	18 Å²	18	39.4 Å²	39.4	13%	0.126	20%	0.196	C	C	.	.	H	α-helix	trans	-64.1	-48.3	174.1	-53.2	0	0	0	0	111.1	S390 T391 N392 L396 Y397 F398	S390-S394 WeakPolarHBondContact O-CB 3.29Å; S390-S394 PolarHBondContact O-N 2.91Å; S390-S394 PolarHBondContact O-OG 3.24Å; T391-S394 PolarHBondContact O-N 2.99Å; N392-S394 VanDerWaalsContact C-N 3.3Å; N392-S394 PolarHBondContact O-N 2.91Å; S394-L396 VanDerWaalsContact C-N 3.32Å; S394-L396 PolarHBondContact O-N 3.22Å; S394-Y397 PolarHBondContact O-N 2.85Å; S394-F398 WeakPolarHBondContact O-CB 3.44Å; S394-F398 WeakPolarHBondContact O-CD2 3.47Å; S394-F398 WeakPolarHBondContact O-CG 3.41Å; S394-F398 PolarHBondContact O-N 3.32Å
395	Q	93.6	Very high	92.8	Very high	71 Å²	71	40.4 Å²	40.4	33%	0.332	20%	0.2	S	C	.	.	H	α-helix	trans	-62	-36.5	175.6	-75.8	-168.4	25.5	0	0	112.7	T391 N392 Y397 F398 K399	T391-Q395 WeakPolarHBondContact O-CB 3.29Å; T391-Q395 WeakPolarHBondContact O-CG 3.42Å; T391-Q395 PolarHBondContact O-N 3.43Å; N392-Q395 PolarHBondContact O-N 2.94Å; Q395-Y397 VanDerWaalsContact C-N 3.34Å; Q395-Y397 PolarHBondContact O-N 3.07Å; Q395-F398 PolarHBondContact O-N 3.22Å; Q395-K399 HydrophobicContact CB-CD 4.48Å; Q395-K399 VanDerWaalsContact O-CB 3.22Å; Q395-K399 WeakPolarHBondContact O-CB 3.14Å; Q395-K399 VanDerWaalsContact O-CG 3.3Å; Q395-K399 WeakPolarHBondContact O-CG 3.49Å; Q395-K399 PolarHBondContact O-N 2.81Å
396	L	95	Very high	93.1	Very high	17 Å²	17	40.1 Å²	40.1	9%	0.089	20%	0.199	C	C	.	.	H	α-helix	trans	-61.5	-42.5	177.3	-175.4	73.6	0	0	0	111.7	N392 L393 S394 K401 L402 L620 E623	N392-L396 WeakPolarHBondContact O-CB 3.27Å; N392-L396 PolarHBondContact O-N 3.43Å; L393-L396 HydrophobicContact CD1-CD2 4.47Å; L393-L396 PolarHBondContact O-N 3.22Å; S394-L396 VanDerWaalsContact C-N 3.32Å; S394-L396 PolarHBondContact O-N 3.22Å; L396-K401 HydrophobicContact CD1-CB 3.63Å; L396-K401 HydrophobicContact CD1-CG 4.49Å; L396-K401 HydrophobicContact CG-CB 4.35Å; L396-K401 PolarHBondContact O-N 2.98Å; L396-K401 VanDerWaalsContact O-N 3.1Å; L396-L402 HydrophobicContact CD2-CD2 3.7Å; L396-L402 HydrophobicContact CD2-CG 4.08Å; L396-L402 HydrophobicContact CG-CD2 4.29Å; L396-L402 HydrophobicContact CG-CG 4.18Å; L396-L620 HydrophobicContact CD2-CB 4.43Å; L396-L620 HydrophobicContact CD2-CD1 4.4Å; L396-E623 HydrophobicContact CD1-CG 4.45Å; L396-E623 HydrophobicContact CD2-CB 4.45Å
397	Y	95.3	Very high	93.4	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.016	20%	0.199	C	C	.	.	H	α-helix	trans	-67.7	-50.7	172.2	175.4	-105.5	0	0	0	111.9	K139 S140 P141 F385 T386 W389 L393 S394 Q395 K399 H400 L402 L407	K139-Y397 HydrophobicContact CD-CD2 4.48Å; K139-Y397 HydrophobicContact CD-CE2 3.78Å; K139-Y397 HydrophobicContact CG-CE1 4.24Å; K139-Y397 HydrophobicContact CG-CE2 4.13Å; K139-Y397 WeakPolarHBondContact O-CE1 3.5Å; S140-Y397 PolarHBondContact O-OH 3.22Å; P141-Y397 HydrophobicContact CB-CE1 4.12Å; F385-Y397 HydrophobicContact CE2-CE1 4.29Å; F385-Y397 HydrophobicContact CE2-CE2 4.3Å; F385-Y397 HydrophobicContact CZ-CE1 4.1Å; F385-Y397 HydrophobicContact CZ-CE2 4.25Å; F385-Y397 AromaticContact CZ-CZ 3.76Å; T386-Y397 HydrophobicContact CG2-CD1 3.93Å; T386-Y397 HydrophobicContact CG2-CE1 4.31Å; W389-Y397 HydrophobicContact CZ3-CG 4.39Å; L393-Y397 PolarHBondContact O-N 3.21Å; S394-Y397 PolarHBondContact O-N 2.85Å; Q395-Y397 VanDerWaalsContact C-N 3.34Å; Q395-Y397 PolarHBondContact O-N 3.07Å; Y397-K399 VanDerWaalsContact C-N 3.29Å; Y397-K399 PolarHBondContact O-N 3.4Å; Y397-H400 WeakPolarHBondContact O-CA 3.48Å; Y397-H400 PolarHBondContact O-N 2.74Å; Y397-L402 HydrophobicContact CD2-CD1 4.32Å; Y397-L407 HydrophobicContact CD2-CD1 3.47Å; Y397-L407 VanDerWaalsContact CD2-CD1 3.47Å; Y397-L407 HydrophobicContact CE2-CD1 3.44Å; Y397-L407 VanDerWaalsContact CE2-CD1 3.44Å
398	F	94.5	Very high	93.7	Very high	34 Å²	34	36.5 Å²	36.5	15%	0.149	18%	0.182	C	C	.	.	H	α-helix	trans	-58.8	-37.1	-178.5	-65.6	-17.5	0	0	0	113.1	L138 K139 P141 T386 S394 Q395 H400	L138-F398 HydrophobicContact CD1-CB 3.52Å; L138-F398 HydrophobicContact CD1-CD1 3.85Å; L138-F398 HydrophobicContact CD1-CD2 4.27Å; L138-F398 HydrophobicContact CD1-CG 3.62Å; K139-F398 PolarHBondContact N-O 2.69Å; K139-F398 WeakPolarHBondContact O-CD1 3.42Å; P141-F398 HydrophobicContact CG-CE1 4.43Å; T386-F398 HydrophobicContact CG2-CE1 4.46Å; S394-F398 WeakPolarHBondContact O-CB 3.44Å; S394-F398 WeakPolarHBondContact O-CD2 3.47Å; S394-F398 WeakPolarHBondContact O-CG 3.41Å; S394-F398 PolarHBondContact O-N 3.32Å; Q395-F398 PolarHBondContact O-N 3.22Å; F398-H400 PolarHBondContact O-N 3.19Å
399	K	93.8	Very high	94	Very high	76 Å²	76	29.1 Å²	29.1	33%	0.33	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	12.2	176.1	-66	170.5	176.9	170.1	0	113.4	Q333 Q395 Y397 K401	Q333-K399 VanDerWaalsContact OE1-NZ 3.09Å; Q395-K399 HydrophobicContact CB-CD 4.48Å; Q395-K399 VanDerWaalsContact O-CB 3.22Å; Q395-K399 WeakPolarHBondContact O-CB 3.14Å; Q395-K399 VanDerWaalsContact O-CG 3.3Å; Q395-K399 WeakPolarHBondContact O-CG 3.49Å; Q395-K399 PolarHBondContact O-N 2.81Å; Y397-K399 VanDerWaalsContact C-N 3.29Å; Y397-K399 PolarHBondContact O-N 3.4Å; K399-K401 VanDerWaalsContact C-N 3.26Å; K399-K401 HydrophobicContact CB-CG 4.34Å; K399-K401 PolarHBondContact O-N 2.92Å
400	H	94	Very high	94	Very high	6 Å²	6	28.3 Å²	28.3	3%	0.028	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	32	174.4	-143.7	136.2	0	0	0	114.2	F77 Q123 T127 F137 Y397 F398	F77-H400 AromaticContact CD1-CE1 3.85Å; F77-H400 AromaticContact CD2-ND1 3.9Å; F77-H400 AromaticContact CG-CE1 3.93Å; F77-H400 AromaticContact CG-ND1 3.76Å; Q123-H400 PolarHBondContact OE1-CE1 3.35Å; Q123-H400 VanDerWaalsContact OE1-CE1 3.24Å; T127-H400 HydrophobicContact CG2-CB 3.78Å; F137-H400 HydrophobicContact CE2-CB 4.15Å; Y397-H400 WeakPolarHBondContact O-CA 3.48Å; Y397-H400 PolarHBondContact O-N 2.74Å; F398-H400 PolarHBondContact O-N 3.19Å
401	K	94.8	Very high	94	Very high	52 Å²	52	26 Å²	26	23%	0.226	13%	0.134	C	C	.	.			trans	-90.3	-14.4	-177.8	-63.2	-59.1	173.7	179.5	0	114.1	D128 L396 K399 Y619	D128-K401 IonicContact OD1-NZ 2.66Å; D128-K401 PolarHBondContact OD1-NZ 3.08Å; L396-K401 HydrophobicContact CD1-CB 3.63Å; L396-K401 HydrophobicContact CD1-CG 4.49Å; L396-K401 HydrophobicContact CG-CB 4.35Å; L396-K401 PolarHBondContact O-N 2.98Å; L396-K401 VanDerWaalsContact O-N 3.1Å; K399-K401 VanDerWaalsContact C-N 3.26Å; K399-K401 HydrophobicContact CB-CG 4.34Å; K399-K401 PolarHBondContact O-N 2.92Å; K401-Y619 HydrophobicContact CB-CD2 4.02Å; K401-Y619 HydrophobicContact CB-CE2 4.41Å; K401-Y619 HydrophobicContact CD-CE2 4.39Å
402	L	95.6	Very high	93.9	Very high	10 Å²	10	21.5 Å²	21.5	5%	0.052	11%	0.106	C	C	.	.	S	Bend	trans	-76.6	144.4	166.2	-65.7	174	0	0	0	111.1	L396 Y397 L407 F446 S616 L620	L396-L402 HydrophobicContact CD2-CD2 3.7Å; L396-L402 HydrophobicContact CD2-CG 4.08Å; L396-L402 HydrophobicContact CG-CD2 4.29Å; L396-L402 HydrophobicContact CG-CG 4.18Å; Y397-L402 HydrophobicContact CD2-CD1 4.32Å; L402-L407 HydrophobicContact CD1-CD1 4.46Å; L402-F446 HydrophobicContact CD1-CZ 3.88Å; L402-S616 WeakPolarHBondContact CA-OG 3.19Å; L402-L620 HydrophobicContact CD2-CB 4Å; L402-L620 HydrophobicContact CD2-CD1 4.21Å; L402-L620 HydrophobicContact CD2-CG 4.49Å
403	A	94.3	Very high	93.6	Very high	11 Å²	11	23.1 Å²	23.1	9%	0.091	11%	0.111	C	C	.	.	P	Polyproline II helix	trans	-63.5	146.6	177	0	0	0	0	0	111.6	I406 Y613 S616	A403-I406 HydrophobicContact CB-CG2 3.93Å; A403-I406 WeakPolarHBondContact O-CG1 3.29Å; A403-Y613 HydrophobicContact CB-CD1 3.52Å; A403-Y613 HydrophobicContact CB-CE1 3.65Å; A403-S616 VanDerWaalsContact N-CB 3.35Å; A403-S616 PolarHBondContact N-OG 3.27Å
404	P	89.3	Confident	93.4	Very high	9 Å²	9	24 Å²	24	6%	0.058	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	151.7	-179.9	28.8	-36.9	0	0	0	111.4	I120 I406	I120-P404 HydrophobicContact CD1-CG 4.07Å; I120-P404 HydrophobicContact CG1-CB 4.39Å; I120-P404 HydrophobicContact CG1-CG 3.53Å; P404-I406 PolarHBondContact O-N 3.47Å
405	F	92.4	Very high	93.4	Very high	27 Å²	27	23.2 Å²	23.2	12%	0.118	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	64	-1.4	176.1	-51.3	-68	0	0	0	117.2	D80 Y118 I120 L407 P409 V416 L418 P419	D80-F405 HydrophobicContact CB-CD1 4.07Å; D80-F405 HydrophobicContact CB-CE1 4.38Å; D80-F405 WeakPolarHBondContact OD1-CE1 3.33Å; Y118-F405 HydrophobicContact CE1-CE2 4.21Å; Y118-F405 HydrophobicContact CE1-CZ 4.07Å; I120-F405 HydrophobicContact CD1-CD2 3.9Å; I120-F405 HydrophobicContact CD1-CE2 4.16Å; I120-F405 HydrophobicContact CG1-CD2 4.22Å; I120-F405 HydrophobicContact CG1-CE2 4.06Å; F405-L407 VanDerWaalsContact C-N 3.3Å; F405-L407 PolarHBondContact O-N 3.18Å; F405-P409 WeakPolarHBondContact O-CD 3.37Å; F405-V416 HydrophobicContact CB-CG2 3.85Å; F405-V416 HydrophobicContact CD1-CG2 4.46Å; F405-V416 HydrophobicContact CG-CG2 4.49Å; F405-L418 HydrophobicContact CB-CD2 4.2Å; F405-P419 HydrophobicContact CD2-CG 3.81Å; F405-P419 HydrophobicContact CE2-CG 3.27Å; F405-P419 HydrophobicContact CZ-CG 3.72Å
406	I	95.2	Very high	93.5	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	10%	0.099	C	C	.	.	S	Bend	trans	-71.5	-21	179.8	65.9	96.7	0	0	0	114.1	A403 P404 H442 Y443 F446 Y613	A403-I406 HydrophobicContact CB-CG2 3.93Å; A403-I406 WeakPolarHBondContact O-CG1 3.29Å; P404-I406 PolarHBondContact O-N 3.47Å; I406-H442 HydrophobicContact CD1-CB 4.35Å; I406-Y443 HydrophobicContact CB-CE1 4.47Å; I406-Y443 VanDerWaalsContact O-CE1 3.25Å; I406-Y443 WeakPolarHBondContact O-CE1 3.34Å; I406-F446 HydrophobicContact CD1-CD2 4.13Å; I406-F446 HydrophobicContact CD1-CE2 3.49Å; I406-F446 VanDerWaalsContact CD1-CE2 3.49Å; I406-F446 HydrophobicContact CD1-CZ 4.32Å; I406-Y613 HydrophobicContact CG2-CD1 3.9Å; I406-Y613 HydrophobicContact CG2-CE1 3.48Å; I406-Y613 VanDerWaalsContact CG2-CE1 3.48Å
407	L	95.3	Very high	93.5	Very high	10 Å²	10	19.9 Å²	19.9	5%	0.052	10%	0.1	C	C	.	.	S	Bend	trans	-89.2	-33.3	178.7	-63.6	172.9	0	0	0	111.9	C81 F385 W389 Y397 L402 F405 P409 I410 Y411 F446	C81-L407 WeakPolarHBondContact SG-CB 3.22Å; F385-L407 HydrophobicContact CE2-CD1 3.88Å; F385-L407 HydrophobicContact CZ-CD1 4.47Å; W389-L407 HydrophobicContact CH2-CD1 4.38Å; W389-L407 HydrophobicContact CH2-CD2 4.07Å; Y397-L407 HydrophobicContact CD2-CD1 3.47Å; Y397-L407 VanDerWaalsContact CD2-CD1 3.47Å; Y397-L407 HydrophobicContact CE2-CD1 3.44Å; Y397-L407 VanDerWaalsContact CE2-CD1 3.44Å; L402-L407 HydrophobicContact CD1-CD1 4.46Å; F405-L407 VanDerWaalsContact C-N 3.3Å; F405-L407 PolarHBondContact O-N 3.18Å; L407-P409 VanDerWaalsContact C-CD 3.47Å; L407-I410 PolarHBondContact O-N 2.85Å; L407-Y411 HydrophobicContact CB-CD2 4.01Å; L407-Y411 HydrophobicContact CB-CE2 4.46Å; L407-Y411 HydrophobicContact CD2-CD2 4.19Å; L407-Y411 HydrophobicContact CD2-CE2 3.77Å; L407-Y411 WeakPolarHBondContact O-CD2 3.45Å; L407-Y411 PolarHBondContact O-N 3.12Å; L407-F446 HydrophobicContact CD2-CD1 4.14Å; L407-F446 HydrophobicContact CD2-CD2 3.92Å; L407-F446 HydrophobicContact CD2-CE1 3.86Å; L407-F446 HydrophobicContact CD2-CE2 3.65Å; L407-F446 HydrophobicContact CD2-CG 4.18Å; L407-F446 HydrophobicContact CD2-CZ 3.62Å
408	T	94.5	Very high	93.5	Very high	5 Å²	5	19.8 Å²	19.8	3%	0.031	10%	0.1	C	C	.	.	H	α-helix	trans	-48	-49.8	-179.3	-49.6	0	0	0	0	114.5	D80 I410 C412 V416	D80-T408 WeakPolarHBondContact CB-OG1 3.34Å; D80-T408 WeakPolarHBondContact O-CB 3.29Å; D80-T408 WeakPolarHBondContact O-CG2 3.23Å; D80-T408 PolarHBondContact O-OG1 3.23Å; T408-I410 PolarHBondContact O-N 2.89Å; T408-I410 VanDerWaalsContact O-N 3.13Å; T408-C412 HydrophobicContact CG2-CB 3.85Å; T408-C412 WeakPolarHBondContact O-CA 3.42Å; T408-C412 WeakPolarHBondContact O-CB 3.38Å; T408-C412 PolarHBondContact O-N 2.57Å; T408-V416 HydrophobicContact CG2-CB 3.83Å; T408-V416 HydrophobicContact CG2-CG2 3.8Å
409	P	95.6	Very high	93.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-67	-17.9	-176.4	23.9	-30.6	0	0	0	114	F405 L407 V416 Y443 G461 I466	F405-P409 WeakPolarHBondContact O-CD 3.37Å; L407-P409 VanDerWaalsContact C-CD 3.47Å; P409-V416 HydrophobicContact CB-CB 4.19Å; P409-V416 HydrophobicContact CB-CG1 3.81Å; P409-V416 HydrophobicContact CG-CB 4.33Å; P409-V416 HydrophobicContact CG-CG1 3.89Å; P409-Y443 HydrophobicContact CG-CD1 4.12Å; P409-Y443 HydrophobicContact CG-CE1 3.42Å; P409-Y443 VanDerWaalsContact CG-CE1 3.42Å; P409-Y443 HydrophobicContact CG-CE2 4.32Å; P409-G461 CarbonylContact O-C 3.16Å; P409-G461 VanDerWaalsContact O-CA 3.3Å; P409-G461 WeakPolarHBondContact O-CA 3.37Å; P409-I466 HydrophobicContact CB-CD1 4.37Å; P409-I466 HydrophobicContact CB-CG1 4.24Å; P409-I466 HydrophobicContact CB-CG2 3.73Å; P409-I466 HydrophobicContact CG-CG2 4.47Å
410	I	94.5	Very high	93.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-92.3	-48.4	-177.6	-39.6	-177.6	0	0	0	110.3	L407 T408 Y443 F446 L459 I460 G461 I466	L407-I410 PolarHBondContact O-N 2.85Å; T408-I410 PolarHBondContact O-N 2.89Å; T408-I410 VanDerWaalsContact O-N 3.13Å; I410-Y443 HydrophobicContact CD1-CD1 4.02Å; I410-Y443 HydrophobicContact CG1-CD1 4.12Å; I410-F446 HydrophobicContact CD1-CB 3.44Å; I410-F446 VanDerWaalsContact CD1-CB 3.44Å; I410-F446 HydrophobicContact CD1-CD2 4.08Å; I410-F446 HydrophobicContact CD1-CG 4.05Å; I410-L459 HydrophobicContact CG2-CD2 3.39Å; I410-L459 CarbonylContact O-C 3.55Å; I410-L459 WeakPolarHBondContact O-CA 3.32Å; I410-I460 PolarHBondContact O-N 3.49Å; I410-G461 PolarHBondContact O-N 3.5Å; I410-I466 HydrophobicContact CG1-CD1 3.98Å
411	Y	92.8	Very high	92.7	Very high	11 Å²	11	15.4 Å²	15.4	4%	0.043	8%	0.082	C	C	.	.	H	α-helix	trans	-102.4	-1	-169.8	-58.6	-73.4	0	0	0	113.9	F385 W389 L407 F446 E450 K458 L459 I460	F385-Y411 HydrophobicContact CB-CD1 3.47Å; F385-Y411 VanDerWaalsContact CB-CD1 3.47Å; F385-Y411 HydrophobicContact CB-CD2 4.35Å; F385-Y411 HydrophobicContact CB-CE1 3.85Å; F385-Y411 HydrophobicContact CB-CG 3.75Å; F385-Y411 HydrophobicContact CD2-CD2 4.32Å; F385-Y411 HydrophobicContact CD2-CG 4.5Å; F385-Y411 HydrophobicContact CG-CD1 4.29Å; F385-Y411 HydrophobicContact CG-CD2 4.35Å; F385-Y411 HydrophobicContact CG-CG 4.08Å; W389-Y411 HydrophobicContact CZ2-CE2 4.28Å; L407-Y411 HydrophobicContact CB-CD2 4.01Å; L407-Y411 HydrophobicContact CB-CE2 4.46Å; L407-Y411 HydrophobicContact CD2-CD2 4.19Å; L407-Y411 HydrophobicContact CD2-CE2 3.77Å; L407-Y411 WeakPolarHBondContact O-CD2 3.45Å; L407-Y411 PolarHBondContact O-N 3.12Å; Y411-F446 HydrophobicContact CE2-CD1 4.46Å; Y411-E450 HydrophobicContact CE1-CG 4.08Å; Y411-E450 WeakPolarHBondContact OH-CG 3.42Å; Y411-E450 PolarHBondContact OH-OE1 3.39Å; Y411-E450 VanDerWaalsContact OH-OE1 3.09Å; Y411-K458 HydrophobicContact CD1-CB 3.96Å; Y411-K458 WeakPolarHBondContact CD1-O 3.1Å; Y411-K458 HydrophobicContact CE1-CB 3.89Å; Y411-K458 HydrophobicContact CE1-CD 4.23Å; Y411-L459 HydrophobicContact CE1-CD2 4.27Å; Y411-I460 WeakPolarHBondContact O-CD1 3.2Å; Y411-I460 VanDerWaalsContact O-CG1 3.3Å; Y411-I460 WeakPolarHBondContact O-CG1 3.34Å
412	C	89.8	Confident	92	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.014	8%	0.08	C	C	.	.	S	Bend	trans	-119.6	125.1	179.4	-161.6	0	0	0	0	111.8	C81 R83 T408 G414 G415 G461	C81-C412 WeakPolarHBondContact O-CB 3.42Å; C81-C412 PolarHBondContact O-SG 3.26Å; R83-C412 WeakPolarHBondContact CB-SG 3.44Å; T408-C412 HydrophobicContact CG2-CB 3.85Å; T408-C412 WeakPolarHBondContact O-CA 3.42Å; T408-C412 WeakPolarHBondContact O-CB 3.38Å; T408-C412 PolarHBondContact O-N 2.57Å; C412-G414 PolarHBondContact O-N 2.95Å; C412-G415 PolarHBondContact O-N 3.41Å; C412-G461 VanDerWaalsContact O-CA 3.28Å; C412-G461 WeakPolarHBondContact O-CA 3.48Å
413	Q	87.4	Confident	91.2	Very high	120 Å²	120	14.7 Å²	14.7	56%	0.561	8%	0.08	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	128.9	-178.8	-171.4	-174.8	8.5	0	0	111.3	R83 Y350 I460	R83-Q413 PolarHBondContact NH1-O 3.42Å; Y350-Q413 PolarHBondContact OH-OE1 3.44Å; Q413-I460 HydrophobicContact CB-CD1 4.47Å
414	G	90.4	Very high	90.6	Very high	21 Å²	21	15.3 Å²	15.3	22%	0.216	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	9	177.4	0	0	0	0	0	114.8	C412 Y469	C412-G414 PolarHBondContact O-N 2.95Å; G414-Y469 WeakPolarHBondContact O-CE2 3.29Å; G414-Y469 PolarHBondContact O-OH 3.09Å; G414-Y469 VanDerWaalsContact O-OH 3.04Å
415	G	93.8	Very high	90	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.097	C	C	.	.			trans	87	-165.8	165.7	0	0	0	0	0	116.8	R83 C412 L467	R83-G415 VanDerWaalsContact CZ-O 3.3Å; R83-G415 PolarHBondContact NH1-O 2.83Å; R83-G415 PolarHBondContact NH2-O 2.91Å; C412-G415 PolarHBondContact O-N 3.41Å; G415-L467 CarbonylContact C-O 3.56Å; G415-L467 WeakPolarHBondContact CA-O 3.45Å
416	V	95.5	Very high	89.3	Confident	1 Å²	1	22.9 Å²	22.9	1%	0.006	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	124.7	-167.5	65.4	0	0	0	0	112.8	F405 T408 P409 L418 L467 E468 Y469	F405-V416 HydrophobicContact CB-CG2 3.85Å; F405-V416 HydrophobicContact CD1-CG2 4.46Å; F405-V416 HydrophobicContact CG-CG2 4.49Å; T408-V416 HydrophobicContact CG2-CB 3.83Å; T408-V416 HydrophobicContact CG2-CG2 3.8Å; P409-V416 HydrophobicContact CB-CB 4.19Å; P409-V416 HydrophobicContact CB-CG1 3.81Å; P409-V416 HydrophobicContact CG-CB 4.33Å; P409-V416 HydrophobicContact CG-CG1 3.89Å; V416-L418 HydrophobicContact CG1-CD2 4.11Å; V416-L418 HydrophobicContact CG1-CG 4.24Å; V416-L418 HydrophobicContact CG2-CD2 3.96Å; V416-L418 PolarHBondContact O-N 3.04Å; V416-L467 PolarHBondContact N-O 3.42Å; V416-E468 HydrophobicContact CG1-CB 4.19Å; V416-E468 HydrophobicContact CG1-CG 3.78Å; V416-E468 CarbonylContact O-C 3.47Å; V416-E468 WeakPolarHBondContact O-CA 3.42Å; V416-Y469 WeakPolarHBondContact O-CD2 3.43Å; V416-Y469 PolarHBondContact O-N 2.99Å
417	V	94.7	Very high	88.6	Confident	18 Å²	18	24.8 Å²	24.8	11%	0.109	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	98.3	171.6	-174.5	0	0	0	0	107.5	L88 Q91 L92 M95 Y469	L88-V417 HydrophobicContact CD1-CG2 3.63Å; Q91-V417 HydrophobicContact CB-CB 4.23Å; Q91-V417 HydrophobicContact CB-CG1 4.39Å; Q91-V417 HydrophobicContact CB-CG2 3.89Å; L92-V417 HydrophobicContact CD2-CG1 4.33Å; L92-V417 HydrophobicContact CD2-CG2 3.61Å; L92-V417 HydrophobicContact CG-CG2 4.23Å; M95-V417 HydrophobicContact CB-CG1 4.3Å; M95-V417 HydrophobicContact CE-CG1 3.94Å; M95-V417 HydrophobicContact CG-CG1 4.49Å; V417-Y469 HydrophobicContact CG2-CD2 3.79Å; V417-Y469 HydrophobicContact CG2-CE2 4.49Å; V417-Y469 HydrophobicContact CG2-CG 4.37Å
418	L	94.5	Very high	87.7	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.005	17%	0.165	C	C	.	.			trans	-68.9	137.8	-175.2	-66.2	172.1	0	0	0	110.2	M95 F405 V416 Y432 E468 Y469 H470	M95-L418 WeakPolarHBondContact CE-O 3.47Å; F405-L418 HydrophobicContact CB-CD2 4.2Å; V416-L418 HydrophobicContact CG1-CD2 4.11Å; V416-L418 HydrophobicContact CG1-CG 4.24Å; V416-L418 HydrophobicContact CG2-CD2 3.96Å; V416-L418 PolarHBondContact O-N 3.04Å; L418-Y432 HydrophobicContact CB-CD1 4.44Å; L418-Y432 HydrophobicContact CB-CD2 4.2Å; L418-Y432 HydrophobicContact CB-CE1 4.1Å; L418-Y432 HydrophobicContact CB-CE2 3.82Å; L418-Y432 HydrophobicContact CB-CG 4.49Å; L418-Y432 HydrophobicContact CD1-CD1 3.78Å; L418-Y432 HydrophobicContact CD1-CD2 4.23Å; L418-Y432 HydrophobicContact CD1-CE1 4.2Å; L418-Y432 HydrophobicContact CD1-CG 3.79Å; L418-Y432 HydrophobicContact CD2-CE1 4.37Å; L418-Y432 HydrophobicContact CG-CE1 4.47Å; L418-E468 HydrophobicContact CD1-CB 4.16Å; L418-E468 HydrophobicContact CD1-CG 4.23Å; L418-E468 WeakPolarHBondContact CD1-OE2 3.39Å; L418-Y469 PolarHBondContact N-O 3.47Å; L418-H470 HydrophobicContact CB-CB 4.13Å; L418-H470 HydrophobicContact CD1-CB 4.31Å
419	P	91.3	Very high	87.4	Confident	12 Å²	12	33.1 Å²	33.1	8%	0.078	18%	0.176	C	C	.	.			trans	-65.4	150.5	-172	-15.9	24.8	0	0	0	114.4	Y118 I120 F405 L421 Y432	Y118-P419 HydrophobicContact CD1-CB 3.35Å; Y118-P419 HydrophobicContact CD1-CG 3.62Å; Y118-P419 HydrophobicContact CE1-CB 4.24Å; Y118-P419 HydrophobicContact CE1-CG 4.03Å; Y118-P419 HydrophobicContact CG-CB 3.66Å; Y118-P419 HydrophobicContact CG-CG 4.33Å; I120-P419 HydrophobicContact CB-CG 4.49Å; I120-P419 HydrophobicContact CD1-CG 4.27Å; F405-P419 HydrophobicContact CD2-CG 3.81Å; F405-P419 HydrophobicContact CE2-CG 3.27Å; F405-P419 HydrophobicContact CZ-CG 3.72Å; P419-L421 PolarHBondContact O-N 3.33Å; P419-Y432 WeakPolarHBondContact CD-OH 3.39Å; P419-Y432 VanDerWaalsContact O-CE2 3.31Å; P419-Y432 WeakPolarHBondContact O-CE2 3.43Å; P419-Y432 PolarHBondContact O-OH 3.4Å
420	L	88.6	Confident	87.2	Confident	5 Å²	5	33.5 Å²	33.5	3%	0.026	18%	0.179	C	C	.	.			trans	-71.6	113.8	-176.7	-177.4	58.6	0	0	0	111.4	M95 R98 I99 L102 P117 Y118 R471	M95-L420 HydrophobicContact CE-CB 4.17Å; M95-L420 HydrophobicContact SD-CB 3.83Å; M95-L420 HydrophobicContact SD-CD1 4.29Å; M95-L420 HydrophobicContact SD-CG 4.46Å; R98-L420 HydrophobicContact CB-CD2 3.59Å; R98-L420 HydrophobicContact CG-CD2 4.48Å; I99-L420 HydrophobicContact CG1-CD1 4.32Å; L102-L420 HydrophobicContact CD1-CD1 4.3Å; L102-L420 HydrophobicContact CD1-CD2 3.93Å; L102-L420 HydrophobicContact CD1-CG 4.43Å; P117-L420 CarbonylContact C-O 3.56Å; P117-L420 VanDerWaalsContact CA-O 3.28Å; P117-L420 WeakPolarHBondContact CA-O 3.39Å; P117-L420 VanDerWaalsContact CB-O 3.31Å; P117-L420 WeakPolarHBondContact CB-O 3.4Å; Y118-L420 PolarHBondContact N-O 3.14Å; L420-R471 HydrophobicContact CD1-CB 4.27Å
421	L	86.7	Confident	87	Confident	7 Å²	7	33.5 Å²	33.5	4%	0.037	18%	0.179	C	C	.	.			trans	-90.7	164.3	176.4	-60.6	178.3	0	0	0	111.8	I120 P419 E423 A431 Y432 T605	I120-L421 HydrophobicContact CG2-CD2 3.83Å; P419-L421 PolarHBondContact O-N 3.33Å; L421-E423 HydrophobicContact CB-CG 3.93Å; L421-E423 PolarHBondContact O-N 3.33Å; L421-A431 HydrophobicContact CD1-CB 3.75Å; L421-Y432 HydrophobicContact CD1-CD2 4.07Å; L421-Y432 HydrophobicContact CD1-CE1 4Å; L421-Y432 HydrophobicContact CD1-CE2 3.49Å; L421-Y432 VanDerWaalsContact CD1-CE2 3.49Å; L421-Y432 VanDerWaalsContact CD1-CZ 3.44Å; L421-Y432 HydrophobicContact CG-CE2 3.76Å; L421-Y432 WeakPolarHBondContact CG-OH 3.28Å; L421-T605 HydrophobicContact CB-CG2 4.18Å; L421-T605 HydrophobicContact CD1-CG2 3.98Å; L421-T605 HydrophobicContact CD2-CG2 4.03Å; L421-T605 HydrophobicContact CG-CG2 4.28Å
422	I	79.8	Confident	87.1	Confident	34 Å²	34	33.1 Å²	33.1	17%	0.174	18%	0.177	C	C	.	.			trans	-82.4	106.6	168.8	-56	-176.9	0	0	0	108.5	T46 K47 P117 V601	T46-I422 WeakPolarHBondContact O-CD1 3.47Å; K47-I422 VanDerWaalsContact CA-CD1 3.46Å; K47-I422 WeakPolarHBondContact O-CD1 3.49Å; P117-I422 HydrophobicContact CB-CG1 3.76Å; P117-I422 HydrophobicContact CG-CD1 3.83Å; P117-I422 HydrophobicContact CG-CG1 3.57Å; I422-V601 HydrophobicContact CB-CG1 3.8Å; I422-V601 HydrophobicContact CD1-CG1 4.26Å; I422-V601 HydrophobicContact CG2-CB 4.16Å; I422-V601 HydrophobicContact CG2-CG1 3.58Å
423	E	78.4	Confident	87.3	Confident	13 Å²	13	33.7 Å²	33.7	6%	0.061	18%	0.18	C	C	.	.			trans	-134.9	138.4	-177.3	-60.4	174.7	126.7	0	0	111	L421 P425 S430 A431 R471	L421-E423 HydrophobicContact CB-CG 3.93Å; L421-E423 PolarHBondContact O-N 3.33Å; E423-P425 WeakPolarHBondContact O-CD 3.26Å; E423-S430 WeakPolarHBondContact OE1-CA 3.43Å; E423-S430 VanDerWaalsContact OE1-CB 3.3Å; E423-S430 WeakPolarHBondContact OE1-CB 3.28Å; E423-A431 WeakPolarHBondContact OE1-CB 3.48Å; E423-A431 PolarHBondContact OE1-N 2.96Å; E423-R471 PolarHBondContact O-NH1 3.2Å; E423-R471 PolarHBondContact O-NH2 3Å
424	N	81.3	Confident	87.6	Confident	24 Å²	24	28.2 Å²	28.2	13%	0.128	15%	0.154	C	C	.	.			trans	-66.2	118	165.8	-176.8	-6.4	0	0	0	108.8	N426 I427 S598 H602	N424-N426 PolarHBondContact O-N 3.37Å; N424-N426 VanDerWaalsContact O-N 3.13Å; N424-N426 WeakPolarHBondContact OD1-CB 3.34Å; N424-N426 PolarHBondContact OD1-N 2.81Å; N424-I427 HydrophobicContact CB-CD1 3.84Å; N424-I427 HydrophobicContact CB-CG1 3.96Å; N424-I427 PolarHBondContact O-N 3.05Å; N424-S598 WeakPolarHBondContact CB-OG 3.33Å; N424-H602 HydrophobicContact CB-CB 4.46Å
425	P	77.2	Confident	87.8	Confident	56 Å²	56	27.2 Å²	27.2	36%	0.364	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-14.2	178.6	25.1	-31.4	0	0	0	114	E423 G473	E423-P425 WeakPolarHBondContact O-CD 3.26Å; P425-G473 WeakPolarHBondContact CB-O 3.26Å; P425-G473 WeakPolarHBondContact O-CA 3.46Å
426	N	79	Confident	88	Confident	140 Å²	140	27.5 Å²	27.5	75%	0.749	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-1.3	-176	-53.2	-15.1	0	0	0	112.6	N424	N424-N426 PolarHBondContact O-N 3.37Å; N424-N426 VanDerWaalsContact O-N 3.13Å; N424-N426 WeakPolarHBondContact OD1-CB 3.34Å; N424-N426 PolarHBondContact OD1-N 2.81Å
427	I	78.7	Confident	88.1	Confident	41 Å²	41	28.5 Å²	28.5	21%	0.21	15%	0.152	C	C	.	.	S	Bend	trans	-87.9	133.3	170.4	-64.8	175.3	0	0	0	108.2	N424 L429 H602	N424-I427 HydrophobicContact CB-CD1 3.84Å; N424-I427 HydrophobicContact CB-CG1 3.96Å; N424-I427 PolarHBondContact O-N 3.05Å; I427-L429 VanDerWaalsContact C-N 3.33Å; I427-L429 PolarHBondContact O-N 3.25Å; I427-H602 HydrophobicContact CD1-CB 4.08Å; I427-H602 WeakPolarHBondContact CD1-CD2 3.31Å
428	E	76.4	Confident	88.2	Confident	138 Å²	138	27.7 Å²	27.7	65%	0.645	15%	0.147	S	C	*	.	S	Bend	trans	-64.8	-31.7	-169.9	-171.5	179.6	151.8	0	0	114.2	N534	E428-N534 PolarHBondContact OE1-ND2 3.4Å; E428-N534 PolarHBondContact OE2-ND2 3.44Å
429	L	89.2	Confident	88.4	Confident	52 Å²	52	27.7 Å²	27.7	27%	0.272	15%	0.147	S	C	.	.	S	Bend	trans	-116.7	127.6	179	-57.8	178	0	0	0	110.4	I427 E433 I434 A530 H602	I427-L429 VanDerWaalsContact C-N 3.33Å; I427-L429 PolarHBondContact O-N 3.25Å; L429-E433 HydrophobicContact CB-CB 4.25Å; L429-E433 HydrophobicContact CD2-CB 4.25Å; L429-I434 HydrophobicContact CB-CD1 4.42Å; L429-I434 HydrophobicContact CB-CG1 3.95Å; L429-I434 HydrophobicContact CD1-CG1 4.3Å; L429-A530 WeakPolarHBondContact CD1-O 3.43Å; L429-H602 PolarHBondContact O-CE1 3.2Å
430	S	91.1	Very high	88.7	Confident	8 Å²	8	28.3 Å²	28.3	6%	0.056	15%	0.148	C	C	.	.			trans	-66.9	162.4	166.1	61.5	0	0	0	0	112.1	E423 Y432 E433 I434 H470	E423-S430 WeakPolarHBondContact OE1-CA 3.43Å; E423-S430 VanDerWaalsContact OE1-CB 3.3Å; E423-S430 WeakPolarHBondContact OE1-CB 3.28Å; S430-Y432 PolarHBondContact O-N 3.22Å; S430-E433 VanDerWaalsContact CB-OE2 3.26Å; S430-E433 WeakPolarHBondContact CB-OE2 3.36Å; S430-E433 PolarHBondContact N-OE2 3.33Å; S430-E433 PolarHBondContact O-N 3.38Å; S430-E433 VanDerWaalsContact O-N 3.07Å; S430-E433 WeakPolarHBondContact OG-CG 3.3Å; S430-E433 PolarHBondContact OG-N 3.32Å; S430-E433 VanDerWaalsContact OG-N 3.07Å; S430-E433 PolarHBondContact OG-OE2 3.41Å; S430-I434 WeakPolarHBondContact O-CG1 3.2Å; S430-I434 PolarHBondContact O-N 3.02Å; S430-H470 PolarHBondContact OG-CE1 3.4Å
431	A	91.3	Very high	89.1	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.6	-30.1	172.3	0	0	0	0	0	111.8	L421 E423 S435 S606	L421-A431 HydrophobicContact CD1-CB 3.75Å; E423-A431 WeakPolarHBondContact OE1-CB 3.48Å; E423-A431 PolarHBondContact OE1-N 2.96Å; A431-S435 PolarHBondContact O-N 3.25Å; A431-S435 PolarHBondContact O-OG 2.9Å; A431-S606 WeakPolarHBondContact CA-OG 3.4Å; A431-S606 WeakPolarHBondContact CB-OG 3.38Å
432	Y	94.2	Very high	89.7	Confident	3 Å²	3	28 Å²	28	1%	0.012	15%	0.146	C	C	.	.	H	α-helix	trans	-74	-37.2	174.1	-64.5	-58.2	0	0	0	112.7	I120 L418 P419 L421 S430 S435 L436 R439 H470	I120-Y432 HydrophobicContact CD1-CE1 4.4Å; L418-Y432 HydrophobicContact CB-CD1 4.44Å; L418-Y432 HydrophobicContact CB-CD2 4.2Å; L418-Y432 HydrophobicContact CB-CE1 4.1Å; L418-Y432 HydrophobicContact CB-CE2 3.82Å; L418-Y432 HydrophobicContact CB-CG 4.49Å; L418-Y432 HydrophobicContact CD1-CD1 3.78Å; L418-Y432 HydrophobicContact CD1-CD2 4.23Å; L418-Y432 HydrophobicContact CD1-CE1 4.2Å; L418-Y432 HydrophobicContact CD1-CG 3.79Å; L418-Y432 HydrophobicContact CD2-CE1 4.37Å; L418-Y432 HydrophobicContact CG-CE1 4.47Å; P419-Y432 WeakPolarHBondContact CD-OH 3.39Å; P419-Y432 VanDerWaalsContact O-CE2 3.31Å; P419-Y432 WeakPolarHBondContact O-CE2 3.43Å; P419-Y432 PolarHBondContact O-OH 3.4Å; L421-Y432 HydrophobicContact CD1-CD2 4.07Å; L421-Y432 HydrophobicContact CD1-CE1 4Å; L421-Y432 HydrophobicContact CD1-CE2 3.49Å; L421-Y432 VanDerWaalsContact CD1-CE2 3.49Å; L421-Y432 VanDerWaalsContact CD1-CZ 3.44Å; L421-Y432 HydrophobicContact CG-CE2 3.76Å; L421-Y432 WeakPolarHBondContact CG-OH 3.28Å; S430-Y432 PolarHBondContact O-N 3.22Å; Y432-S435 CarbonylContact O-C 3.58Å; Y432-S435 PolarHBondContact O-N 3Å; Y432-S435 PolarHBondContact O-OG 3.38Å; Y432-L436 PolarHBondContact O-N 3.49Å; Y432-R439 VanDerWaalsContact O-CZ 3.26Å; Y432-R439 PolarHBondContact O-NH1 3.21Å; Y432-R439 PolarHBondContact O-NH2 3.15Å; Y432-H470 HydrophobicContact CD2-CB 3.9Å; Y432-H470 HydrophobicContact CE2-CB 4.45Å
433	E	93.6	Very high	90.5	Very high	14 Å²	14	26.3 Å²	26.3	7%	0.065	14%	0.137	C	C	.	.	H	α-helix	trans	-66.6	-44.5	173.3	-77.4	159	97.5	0	0	112.1	L429 S430 S435 L436 H470 Y479 K721	L429-E433 HydrophobicContact CB-CB 4.25Å; L429-E433 HydrophobicContact CD2-CB 4.25Å; S430-E433 VanDerWaalsContact CB-OE2 3.26Å; S430-E433 WeakPolarHBondContact CB-OE2 3.36Å; S430-E433 PolarHBondContact N-OE2 3.33Å; S430-E433 PolarHBondContact O-N 3.38Å; S430-E433 VanDerWaalsContact O-N 3.07Å; S430-E433 WeakPolarHBondContact OG-CG 3.3Å; S430-E433 PolarHBondContact OG-N 3.32Å; S430-E433 VanDerWaalsContact OG-N 3.07Å; S430-E433 PolarHBondContact OG-OE2 3.41Å; E433-S435 PolarHBondContact O-N 3.14Å; E433-L436 VanDerWaalsContact O-CB 3.29Å; E433-L436 WeakPolarHBondContact O-CB 3.49Å; E433-L436 PolarHBondContact O-N 2.97Å; E433-L436 VanDerWaalsContact O-N 3.12Å; E433-H470 IonicContact OE2-CE1 3.47Å; E433-Y479 HydrophobicContact CG-CE1 3.97Å; E433-Y479 WeakPolarHBondContact CG-OH 3.34Å; E433-Y479 PolarHBondContact OE1-OH 2.86Å; E433-Y479 PolarHBondContact OE2-OH 3.14Å; E433-K721 IonicContact OE1-NZ 3.94Å; E433-K721 PolarHBondContact OE1-NZ 3.43Å
434	I	93.9	Very high	91.5	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-54.9	-41	175.8	-69.5	167	0	0	0	110.8	L429 S430 F526 A530 T531 V610	L429-I434 HydrophobicContact CB-CD1 4.42Å; L429-I434 HydrophobicContact CB-CG1 3.95Å; L429-I434 HydrophobicContact CD1-CG1 4.3Å; S430-I434 WeakPolarHBondContact O-CG1 3.2Å; S430-I434 PolarHBondContact O-N 3.02Å; I434-F526 VanDerWaalsContact O-CE1 3.22Å; I434-F526 WeakPolarHBondContact O-CE1 3.3Å; I434-A530 HydrophobicContact CB-CB 4.42Å; I434-A530 HydrophobicContact CG1-CB 4.26Å; I434-A530 HydrophobicContact CG2-CB 3.85Å; I434-T531 HydrophobicContact CD1-CG2 3.82Å; I434-V610 HydrophobicContact CG2-CG2 3.78Å
435	S	95.6	Very high	92.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	4.8	-178.4	58	0	0	0	0	115.2	A431 Y432 E433 P437 L438 R439 T609	A431-S435 PolarHBondContact O-N 3.25Å; A431-S435 PolarHBondContact O-OG 2.9Å; Y432-S435 CarbonylContact O-C 3.58Å; Y432-S435 PolarHBondContact O-N 3Å; Y432-S435 PolarHBondContact O-OG 3.38Å; E433-S435 PolarHBondContact O-N 3.14Å; S435-P437 VanDerWaalsContact C-CD 3.5Å; S435-L438 PolarHBondContact O-N 2.89Å; S435-R439 PolarHBondContact O-N 3.01Å; S435-R439 PolarHBondContact O-NH1 3.09Å; S435-R439 PolarHBondContact OG-NH1 3.06Å; S435-T609 WeakPolarHBondContact OG-CG2 3.47Å
436	L	96.6	Very high	93.2	Very high	6 Å²	6	24.5 Å²	24.5	3%	0.031	12%	0.121	C	C	.	.	H	α-helix	trans	-56.4	-41.8	-179.2	175.9	61.3	0	0	0	113.5	Y432 E433 L438 R439 W440 I481 Y719	Y432-L436 PolarHBondContact O-N 3.49Å; E433-L436 VanDerWaalsContact O-CB 3.29Å; E433-L436 WeakPolarHBondContact O-CB 3.49Å; E433-L436 PolarHBondContact O-N 2.97Å; E433-L436 VanDerWaalsContact O-N 3.12Å; L436-L438 VanDerWaalsContact C-N 3.28Å; L436-L438 PolarHBondContact O-N 3.22Å; L436-R439 PolarHBondContact O-N 3.03Å; L436-W440 WeakPolarHBondContact O-CB 3.12Å; L436-W440 PolarHBondContact O-N 2.84Å; L436-I481 HydrophobicContact CD1-CD1 3.69Å; L436-I481 HydrophobicContact CD1-CG1 4.42Å; L436-Y719 HydrophobicContact CD2-CD1 3.99Å; L436-Y719 HydrophobicContact CD2-CE1 3.89Å; L436-Y719 HydrophobicContact CD2-CG 4.37Å
437	P	97.3	Very high	94.1	Very high	23 Å²	23	17.9 Å²	17.9	15%	0.149	9%	0.085	C	C	.	.	H	α-helix	trans	-57.5	-40.3	177.5	-25.5	34.9	0	0	0	113.5	S435 W440 M441 I502 F526 P715 I717	S435-P437 VanDerWaalsContact C-CD 3.5Å; P437-W440 PolarHBondContact O-N 2.9Å; P437-M441 PolarHBondContact O-N 3.27Å; P437-I502 HydrophobicContact CB-CD1 3.98Å; P437-I502 HydrophobicContact CB-CG1 3.85Å; P437-I502 VanDerWaalsContact O-CD1 3.32Å; P437-I502 WeakPolarHBondContact O-CD1 3.48Å; P437-I502 VanDerWaalsContact O-CG1 3.3Å; P437-I502 WeakPolarHBondContact O-CG1 3.15Å; P437-F526 HydrophobicContact CB-CZ 4.29Å; P437-F526 HydrophobicContact CG-CZ 4.15Å; P437-P715 HydrophobicContact CB-CG 4.17Å; P437-I717 HydrophobicContact CB-CD1 3.85Å; P437-I717 HydrophobicContact CG-CD1 3.86Å
438	L	98	Very high	95	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-68	-42.3	179.8	-56	177.3	0	0	0	111	S435 L436 M441 H442 I502 F526 V610 L614 L617	S435-L438 PolarHBondContact O-N 2.89Å; L436-L438 VanDerWaalsContact C-N 3.28Å; L436-L438 PolarHBondContact O-N 3.22Å; L438-M441 PolarHBondContact O-N 2.89Å; L438-H442 PolarHBondContact O-N 3.11Å; L438-H442 PolarHBondContact O-ND1 3.1Å; L438-I502 HydrophobicContact CD2-CG2 4.14Å; L438-F526 HydrophobicContact CD1-CE1 4.11Å; L438-F526 HydrophobicContact CD1-CZ 4.31Å; L438-F526 HydrophobicContact CD2-CE2 4.47Å; L438-F526 HydrophobicContact CD2-CZ 4.41Å; L438-F526 HydrophobicContact CG-CE1 4.32Å; L438-F526 HydrophobicContact CG-CZ 4.02Å; L438-V610 HydrophobicContact CD1-CG1 4.13Å; L438-L614 HydrophobicContact CD1-CB 4.22Å; L438-L614 HydrophobicContact CD2-CD1 4.29Å; L438-L617 HydrophobicContact CD2-CD2 4.13Å
439	R	97.5	Very high	95.9	Very high	1 Å²	1	10.4 Å²	10.4	0%	0.004	5%	0.05	C	C	.	.	H	α-helix	trans	-65	-45.1	174.2	-70.7	-163.3	-51.6	-70.5	1.4	112.3	Y432 S435 L436 M441 H442 Y443 E468 Y613	Y432-R439 VanDerWaalsContact O-CZ 3.26Å; Y432-R439 PolarHBondContact O-NH1 3.21Å; Y432-R439 PolarHBondContact O-NH2 3.15Å; S435-R439 PolarHBondContact O-N 3.01Å; S435-R439 PolarHBondContact O-NH1 3.09Å; S435-R439 PolarHBondContact OG-NH1 3.06Å; L436-R439 PolarHBondContact O-N 3.03Å; R439-M441 VanDerWaalsContact C-N 3.28Å; R439-M441 PolarHBondContact O-N 3.27Å; R439-H442 WeakPolarHBondContact O-CB 3.41Å; R439-H442 PolarHBondContact O-N 2.93Å; R439-Y443 HydrophobicContact CB-CE1 4.39Å; R439-Y443 HydrophobicContact CB-CE2 4Å; R439-Y443 WeakPolarHBondContact O-CD1 3.47Å; R439-Y443 VanDerWaalsContact O-CG 3.25Å; R439-Y443 PolarHBondContact O-N 2.89Å; R439-E468 IonicContact CZ-OE1 3.5Å; R439-E468 IonicContact CZ-OE2 2.71Å; R439-E468 IonicContact NE-OE1 3.23Å; R439-E468 PolarHBondContact NE-OE1 3.17Å; R439-E468 IonicContact NE-OE2 2.74Å; R439-E468 IonicContact NH2-OE1 2.74Å; R439-E468 PolarHBondContact NH2-OE1 3.49Å; R439-E468 IonicContact NH2-OE2 3.37Å; R439-E468 PolarHBondContact NH2-OE2 3.48Å; R439-Y613 HydrophobicContact CG-CD1 3.96Å; R439-Y613 HydrophobicContact CG-CD2 4.21Å; R439-Y613 HydrophobicContact CG-CE1 3.79Å; R439-Y613 HydrophobicContact CG-CE2 4Å; R439-Y613 HydrophobicContact CG-CG 4.2Å
440	W	97.9	Very high	96.2	Very high	25 Å²	25	7.9 Å²	7.9	10%	0.095	4%	0.037	C	C	.	.	H	α-helix	trans	-55.9	-41.1	177.2	179.9	78.8	0	0	0	112.2	L436 P437 Y443 R444 Q482 I502 P715 I717	L436-W440 WeakPolarHBondContact O-CB 3.12Å; L436-W440 PolarHBondContact O-N 2.84Å; P437-W440 PolarHBondContact O-N 2.9Å; W440-Y443 WeakPolarHBondContact O-CB 3.33Å; W440-Y443 PolarHBondContact O-N 2.84Å; W440-R444 HydrophobicContact CD2-CG 4.35Å; W440-R444 WeakPolarHBondContact O-CG 3.2Å; W440-R444 PolarHBondContact O-N 2.8Å; W440-Q482 PolarHBondContact NE1-O 2.71Å; W440-I502 HydrophobicContact CE3-CD1 3.62Å; W440-I502 HydrophobicContact CZ3-CD1 3.8Å; W440-P715 HydrophobicContact CZ3-CB 4.34Å; W440-I717 HydrophobicContact CB-CD1 4.23Å; W440-I717 HydrophobicContact CD2-CD1 4.15Å; W440-I717 HydrophobicContact CD2-CG1 3.93Å; W440-I717 HydrophobicContact CD2-CG2 4.27Å; W440-I717 HydrophobicContact CE3-CD1 4.18Å; W440-I717 HydrophobicContact CE3-CG1 4.04Å; W440-I717 HydrophobicContact CG-CD1 4.23Å; W440-I717 HydrophobicContact CG-CG1 4.33Å; W440-I717 HydrophobicContact CG-CG2 4.02Å; W440-I717 HydrophobicContact CH2-CG1 4.46Å; W440-I717 HydrophobicContact CZ2-CG1 4.39Å; W440-I717 HydrophobicContact CZ3-CG1 4.31Å
441	M	97.9	Very high	96.4	Very high	5 Å²	5	11.1 Å²	11.1	3%	0.025	5%	0.051	C	C	.	.	H	α-helix	trans	-63.4	-42.2	174.9	-170.3	61.3	94.6	0	0	112.6	P437 L438 R439 Y443 R444 L445 L486 I502 L617	P437-M441 PolarHBondContact O-N 3.27Å; L438-M441 PolarHBondContact O-N 2.89Å; R439-M441 VanDerWaalsContact C-N 3.28Å; R439-M441 PolarHBondContact O-N 3.27Å; M441-Y443 VanDerWaalsContact C-N 3.28Å; M441-Y443 PolarHBondContact O-N 3.22Å; M441-R444 PolarHBondContact O-N 3.09Å; M441-L445 HydrophobicContact CG-CD1 4.12Å; M441-L445 WeakPolarHBondContact O-CB 3.48Å; M441-L445 VanDerWaalsContact O-CG 3.28Å; M441-L445 WeakPolarHBondContact O-CG 3.38Å; M441-L445 PolarHBondContact O-N 2.81Å; M441-L486 HydrophobicContact CE-CD2 4.22Å; M441-L486 HydrophobicContact SD-CD2 3.43Å; M441-L486 WeakPolarHBondContact SD-CD2 3.35Å; M441-I502 HydrophobicContact CB-CD1 4.18Å; M441-I502 HydrophobicContact CB-CG1 4.12Å; M441-I502 HydrophobicContact CE-CB 3.98Å; M441-I502 HydrophobicContact CE-CD1 4.18Å; M441-I502 HydrophobicContact CE-CG1 4.43Å; M441-L617 HydrophobicContact CB-CD1 4.09Å; M441-L617 HydrophobicContact CB-CD2 3.89Å; M441-L617 HydrophobicContact CG-CD1 3.82Å; M441-L617 HydrophobicContact CG-CD2 3.99Å; M441-L617 HydrophobicContact CG-CG 4.49Å
442	H	98.3	Very high	96.5	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-56.7	-45	171.7	-67.3	82.4	0	0	0	111	I406 L438 R439 R444 L445 F446 Y613 S616 L617 L620	I406-H442 HydrophobicContact CD1-CB 4.35Å; L438-H442 PolarHBondContact O-N 3.11Å; L438-H442 PolarHBondContact O-ND1 3.1Å; R439-H442 WeakPolarHBondContact O-CB 3.41Å; R439-H442 PolarHBondContact O-N 2.93Å; H442-R444 PolarHBondContact O-N 2.82Å; H442-L445 PolarHBondContact O-N 2.93Å; H442-F446 VanDerWaalsContact O-CD2 3.27Å; H442-F446 WeakPolarHBondContact O-CD2 3.3Å; H442-F446 PolarHBondContact O-N 3.05Å; H442-Y613 PolarHBondContact CE1-O 3.03Å; H442-S616 WeakPolarHBondContact NE2-CB 3.33Å; H442-S616 PolarHBondContact NE2-OG 3.43Å; H442-L617 PolarHBondContact NE2-N 3.14Å; H442-L620 HydrophobicContact CB-CD2 4.37Å
443	Y	98.3	Very high	96.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.4	-44.4	-178.2	-55.2	-22.7	0	0	0	111.6	I406 P409 I410 R439 W440 M441 C447 I466 E468 V483	I406-Y443 HydrophobicContact CB-CE1 4.47Å; I406-Y443 VanDerWaalsContact O-CE1 3.25Å; I406-Y443 WeakPolarHBondContact O-CE1 3.34Å; P409-Y443 HydrophobicContact CG-CD1 4.12Å; P409-Y443 HydrophobicContact CG-CE1 3.42Å; P409-Y443 VanDerWaalsContact CG-CE1 3.42Å; P409-Y443 HydrophobicContact CG-CE2 4.32Å; I410-Y443 HydrophobicContact CD1-CD1 4.02Å; I410-Y443 HydrophobicContact CG1-CD1 4.12Å; R439-Y443 HydrophobicContact CB-CE1 4.39Å; R439-Y443 HydrophobicContact CB-CE2 4Å; R439-Y443 WeakPolarHBondContact O-CD1 3.47Å; R439-Y443 VanDerWaalsContact O-CG 3.25Å; R439-Y443 PolarHBondContact O-N 2.89Å; W440-Y443 WeakPolarHBondContact O-CB 3.33Å; W440-Y443 PolarHBondContact O-N 2.84Å; M441-Y443 VanDerWaalsContact C-N 3.28Å; M441-Y443 PolarHBondContact O-N 3.22Å; Y443-C447 WeakPolarHBondContact O-CB 3.43Å; Y443-C447 PolarHBondContact O-N 2.9Å; Y443-C447 PolarHBondContact O-SG 3.38Å; Y443-I466 HydrophobicContact CD1-CD1 4.37Å; Y443-I466 HydrophobicContact CD2-CD1 3.97Å; Y443-I466 HydrophobicContact CD2-CG2 4.01Å; Y443-I466 HydrophobicContact CE2-CG2 3.95Å; Y443-I466 HydrophobicContact CG-CD1 3.78Å; Y443-E468 WeakPolarHBondContact CE2-OE1 3.5Å; Y443-E468 PolarHBondContact OH-OE1 2.87Å; Y443-V483 HydrophobicContact CD2-CG2 4.32Å
444	R	97.8	Very high	96.4	Very high	53 Å²	53	21.7 Å²	21.7	20%	0.2	12%	0.115	C	C	.	.	H	α-helix	trans	-64.3	-41.6	176.5	-66.9	-171.3	66.9	-151.7	-3.2	112.8	W440 M441 H442 C447 G448 V483 D484 L486	W440-R444 HydrophobicContact CD2-CG 4.35Å; W440-R444 WeakPolarHBondContact O-CG 3.2Å; W440-R444 PolarHBondContact O-N 2.8Å; M441-R444 PolarHBondContact O-N 3.09Å; H442-R444 PolarHBondContact O-N 2.82Å; R444-C447 PolarHBondContact O-N 3.13Å; R444-G448 PolarHBondContact O-N 3.27Å; R444-V483 HydrophobicContact CB-CG1 4.46Å; R444-V483 HydrophobicContact CG-CG1 3.82Å; R444-D484 WeakPolarHBondContact CG-O 3.31Å; R444-D484 PolarHBondContact NE-O 2.98Å; R444-L486 HydrophobicContact CB-CB 3.8Å; R444-L486 PolarHBondContact O-N 2.92Å
445	L	97.9	Very high	96.2	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-61.6	-50.6	176.8	-72.5	167.2	0	0	0	111.6	M441 H442 C447 G448 I449 L486 L488 M498 L617 L620 I621 L624	M441-L445 HydrophobicContact CG-CD1 4.12Å; M441-L445 WeakPolarHBondContact O-CB 3.48Å; M441-L445 VanDerWaalsContact O-CG 3.28Å; M441-L445 WeakPolarHBondContact O-CG 3.38Å; M441-L445 PolarHBondContact O-N 2.81Å; H442-L445 PolarHBondContact O-N 2.93Å; L445-C447 PolarHBondContact O-N 3.3Å; L445-G448 WeakPolarHBondContact O-CA 3.47Å; L445-G448 PolarHBondContact O-N 2.96Å; L445-G448 VanDerWaalsContact O-N 3.07Å; L445-I449 VanDerWaalsContact O-CG1 3.31Å; L445-I449 WeakPolarHBondContact O-CG1 3.48Å; L445-I449 PolarHBondContact O-N 2.61Å; L445-L486 HydrophobicContact CD2-CD2 4.27Å; L445-L488 HydrophobicContact CD2-CD1 4.27Å; L445-L488 HydrophobicContact CD2-CD2 3.75Å; L445-L488 HydrophobicContact CD2-CG 4.17Å; L445-M498 HydrophobicContact CD2-CE 4.19Å; L445-L617 HydrophobicContact CD1-CD1 3.69Å; L445-L620 HydrophobicContact CB-CD2 4.25Å; L445-L620 HydrophobicContact CD1-CD2 3.82Å; L445-L620 HydrophobicContact CD1-CG 4.22Å; L445-I621 HydrophobicContact CD1-CD1 4.33Å; L445-I621 HydrophobicContact CD1-CG1 3.71Å; L445-L624 HydrophobicContact CD2-CD1 4.37Å
446	F	97.4	Very high	95.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.1	-38.6	177.5	-79.7	-66.6	0	0	0	112.9	W389 L393 L402 I406 L407 I410 Y411 H442 G448 I449 E450 L620	W389-F446 HydrophobicContact CH2-CD1 4.27Å; W389-F446 AromaticContact CH2-CE1 3.63Å; W389-F446 HydrophobicContact CH2-CE1 3.63Å; W389-F446 HydrophobicContact CH2-CZ 4.39Å; W389-F446 AromaticContact CZ2-CD1 3.93Å; W389-F446 HydrophobicContact CZ2-CD1 3.93Å; W389-F446 AromaticContact CZ2-CE1 3.72Å; W389-F446 HydrophobicContact CZ2-CE1 3.72Å; W389-F446 HydrophobicContact CZ3-CE1 4.29Å; L393-F446 HydrophobicContact CD1-CE1 4.15Å; L393-F446 HydrophobicContact CD1-CZ 4.34Å; L393-F446 HydrophobicContact CD2-CE1 4.41Å; L402-F446 HydrophobicContact CD1-CZ 3.88Å; I406-F446 HydrophobicContact CD1-CD2 4.13Å; I406-F446 HydrophobicContact CD1-CE2 3.49Å; I406-F446 VanDerWaalsContact CD1-CE2 3.49Å; I406-F446 HydrophobicContact CD1-CZ 4.32Å; L407-F446 HydrophobicContact CD2-CD1 4.14Å; L407-F446 HydrophobicContact CD2-CD2 3.92Å; L407-F446 HydrophobicContact CD2-CE1 3.86Å; L407-F446 HydrophobicContact CD2-CE2 3.65Å; L407-F446 HydrophobicContact CD2-CG 4.18Å; L407-F446 HydrophobicContact CD2-CZ 3.62Å; I410-F446 HydrophobicContact CD1-CB 3.44Å; I410-F446 VanDerWaalsContact CD1-CB 3.44Å; I410-F446 HydrophobicContact CD1-CD2 4.08Å; I410-F446 HydrophobicContact CD1-CG 4.05Å; Y411-F446 HydrophobicContact CE2-CD1 4.46Å; H442-F446 VanDerWaalsContact O-CD2 3.27Å; H442-F446 WeakPolarHBondContact O-CD2 3.3Å; H442-F446 PolarHBondContact O-N 3.05Å; F446-G448 VanDerWaalsContact C-N 3.26Å; F446-G448 PolarHBondContact O-N 3.13Å; F446-I449 HydrophobicContact CD1-CD1 3.94Å; F446-I449 HydrophobicContact CE1-CD1 4.21Å; F446-I449 PolarHBondContact O-N 3.04Å; F446-E450 WeakPolarHBondContact O-CG 3.2Å; F446-E450 PolarHBondContact O-N 3.01Å; F446-E450 VanDerWaalsContact O-N 3.09Å; F446-L620 HydrophobicContact CD2-CD2 4.22Å; F446-L620 HydrophobicContact CE1-CD1 4.31Å; F446-L620 HydrophobicContact CE2-CD1 4.07Å; F446-L620 HydrophobicContact CE2-CD2 3.57Å; F446-L620 HydrophobicContact CZ-CD1 3.65Å; F446-L620 HydrophobicContact CZ-CD2 4.06Å
447	C	97.1	Very high	95.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.4	-32.7	172.4	-65.7	0	0	0	0	112.3	Y443 R444 L445 H451 P485	Y443-C447 WeakPolarHBondContact O-CB 3.43Å; Y443-C447 PolarHBondContact O-N 2.9Å; Y443-C447 PolarHBondContact O-SG 3.38Å; R444-C447 PolarHBondContact O-N 3.13Å; L445-C447 PolarHBondContact O-N 3.3Å; C447-H451 WeakPolarHBondContact O-CB 3.27Å; C447-H451 PolarHBondContact O-N 2.78Å; C447-H451 VanDerWaalsContact O-N 3.15Å; C447-P485 HydrophobicContact CB-CB 4.24Å; C447-P485 HydrophobicContact CB-CG 4.13Å
448	G	97.1	Very high	95.1	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-71.2	-42.3	173.5	0	0	0	0	0	113.8	R444 L445 F446 E450 H451 N452	R444-G448 PolarHBondContact O-N 3.27Å; L445-G448 WeakPolarHBondContact O-CA 3.47Å; L445-G448 PolarHBondContact O-N 2.96Å; L445-G448 VanDerWaalsContact O-N 3.07Å; F446-G448 VanDerWaalsContact C-N 3.26Å; F446-G448 PolarHBondContact O-N 3.13Å; G448-E450 PolarHBondContact O-N 2.88Å; G448-H451 VanDerWaalsContact O-CB 3.29Å; G448-H451 WeakPolarHBondContact O-CB 3.21Å; G448-H451 PolarHBondContact O-N 3.25Å; G448-H451 VanDerWaalsContact O-N 3.15Å; G448-N452 PolarHBondContact O-N 3.24Å
449	I	96.3	Very high	94.8	Very high	21 Å²	21	32.5 Å²	32.5	11%	0.108	16%	0.162	C	C	.	.	H	α-helix	trans	-57.1	-50.8	175	-68.9	159.6	0	0	0	110.4	L393 L445 F446 H451 N452 L453 L624	L393-I449 HydrophobicContact CD2-CD1 3.91Å; L393-I449 HydrophobicContact CD2-CG2 4.15Å; L445-I449 VanDerWaalsContact O-CG1 3.31Å; L445-I449 WeakPolarHBondContact O-CG1 3.48Å; L445-I449 PolarHBondContact O-N 2.61Å; F446-I449 HydrophobicContact CD1-CD1 3.94Å; F446-I449 HydrophobicContact CE1-CD1 4.21Å; F446-I449 PolarHBondContact O-N 3.04Å; I449-H451 VanDerWaalsContact C-N 3.25Å; I449-H451 PolarHBondContact O-N 2.71Å; I449-N452 PolarHBondContact O-N 3.15Å; I449-L453 HydrophobicContact CG2-CD1 3.75Å; I449-L453 HydrophobicContact CG2-CG 4.4Å; I449-L453 WeakPolarHBondContact O-CB 3.48Å; I449-L453 WeakPolarHBondContact O-CG 3.48Å; I449-L453 PolarHBondContact O-N 2.62Å; I449-L624 HydrophobicContact CD1-CD1 3.81Å; I449-L624 HydrophobicContact CD1-CD2 3.59Å; I449-L624 HydrophobicContact CD1-CG 4.34Å; I449-L624 HydrophobicContact CG1-CD2 3.93Å
450	E	95.4	Very high	94.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-73.8	-16.6	179.9	-53.5	-61.2	-172.3	0	0	113.2	W389 Y411 F446 G448 Q455 K456 K458 L459	W389-E450 PolarHBondContact NE1-OE1 3.47Å; Y411-E450 HydrophobicContact CE1-CG 4.08Å; Y411-E450 WeakPolarHBondContact OH-CG 3.42Å; Y411-E450 PolarHBondContact OH-OE1 3.39Å; Y411-E450 VanDerWaalsContact OH-OE1 3.09Å; F446-E450 WeakPolarHBondContact O-CG 3.2Å; F446-E450 PolarHBondContact O-N 3.01Å; F446-E450 VanDerWaalsContact O-N 3.09Å; G448-E450 PolarHBondContact O-N 2.88Å; E450-Q455 HydrophobicContact CB-CB 4.33Å; E450-Q455 CarbonylContact O-C 3.56Å; E450-Q455 PolarHBondContact O-N 3.02Å; E450-Q455 WeakPolarHBondContact OE2-CB 3.41Å; E450-K456 PolarHBondContact O-N 2.83Å; E450-K458 HydrophobicContact CG-CD 4.23Å; E450-K458 WeakPolarHBondContact OE1-CD 3.4Å; E450-K458 IonicContact OE1-NZ 2.8Å; E450-K458 PolarHBondContact OE1-NZ 3.07Å; E450-K458 WeakPolarHBondContact OE2-CD 3.48Å; E450-K458 IonicContact OE2-NZ 2.86Å; E450-K458 PolarHBondContact OE2-NZ 2.9Å; E450-L459 HydrophobicContact CB-CD1 4.4Å; E450-L459 HydrophobicContact CB-CD2 3.96Å; E450-L459 HydrophobicContact CB-CG 4.25Å; E450-L459 HydrophobicContact CG-CD2 3.87Å
451	H	94.4	Very high	94.1	Very high	75 Å²	75	34.4 Å²	34.4	35%	0.347	18%	0.175	S	C	.	.	H	α-helix	trans	-68.2	-53.8	166	-158.5	139.8	0	0	0	110.1	C447 G448 I449 L453 S454 K456 I487	C447-H451 WeakPolarHBondContact O-CB 3.27Å; C447-H451 PolarHBondContact O-N 2.78Å; C447-H451 VanDerWaalsContact O-N 3.15Å; G448-H451 VanDerWaalsContact O-CB 3.29Å; G448-H451 WeakPolarHBondContact O-CB 3.21Å; G448-H451 PolarHBondContact O-N 3.25Å; G448-H451 VanDerWaalsContact O-N 3.15Å; I449-H451 VanDerWaalsContact C-N 3.25Å; I449-H451 PolarHBondContact O-N 2.71Å; H451-L453 PolarHBondContact O-N 3.36Å; H451-S454 PolarHBondContact O-N 3.27Å; H451-S454 VanDerWaalsContact O-N 3.09Å; H451-K456 WeakPolarHBondContact CD2-CE 3.32Å; H451-K456 PolarHBondContact CD2-NZ 2.76Å; H451-K456 VanDerWaalsContact CD2-NZ 3.34Å; H451-K456 PolarHBondContact CE1-NZ 3.36Å; H451-K456 VanDerWaalsContact CE1-NZ 3.28Å; H451-K456 WeakPolarHBondContact NE2-CE 3.16Å; H451-K456 PolarHBondContact NE2-NZ 2.95Å; H451-I487 HydrophobicContact CB-CD1 3.97Å
452	N	94.4	Very high	93.9	Very high	102 Å²	102	36.2 Å²	36.2	55%	0.545	18%	0.184	S	C	.	.	H	α-helix	trans	-62.1	-41	-178.9	-74.9	-8.2	0	0	0	112.5	G448 I449 S454	G448-N452 PolarHBondContact O-N 3.24Å; I449-N452 PolarHBondContact O-N 3.15Å; N452-S454 PolarHBondContact O-N 3.47Å
453	L	93.5	Very high	93.5	Very high	51 Å²	51	42.9 Å²	42.9	27%	0.267	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-5.2	177.4	-64.8	175.8	0	0	0	113.9	R388 I449 H451 Q455	R388-L453 HydrophobicContact CB-CD1 4.31Å; R388-L453 HydrophobicContact CB-CD2 4.4Å; R388-L453 PolarHBondContact NH1-O 2.99Å; R388-L453 WeakPolarHBondContact O-CD1 3.42Å; R388-L453 VanDerWaalsContact O-CD2 3.31Å; R388-L453 WeakPolarHBondContact O-CD2 3.27Å; I449-L453 HydrophobicContact CG2-CD1 3.75Å; I449-L453 HydrophobicContact CG2-CG 4.4Å; I449-L453 WeakPolarHBondContact O-CB 3.48Å; I449-L453 WeakPolarHBondContact O-CG 3.48Å; I449-L453 PolarHBondContact O-N 2.62Å; H451-L453 PolarHBondContact O-N 3.36Å; L453-Q455 HydrophobicContact CB-CB 4.28Å; L453-Q455 HydrophobicContact CB-CG 3.89Å
454	S	91.9	Very high	93.2	Very high	87 Å²	87	47.3 Å²	47.3	61%	0.608	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	52.5	-169.6	-63.7	0	0	0	0	111.8	H451 N452	H451-S454 PolarHBondContact O-N 3.27Å; H451-S454 VanDerWaalsContact O-N 3.09Å; N452-S454 PolarHBondContact O-N 3.47Å
455	Q	89.9	Confident	93.1	Very high	13 Å²	13	48.6 Å²	48.6	6%	0.061	25%	0.254	C	S	.	.			trans	-127.8	23	-175.6	-69.1	-60.7	-84.7	0	0	113.3	E450 L453 Q457 K458	E450-Q455 HydrophobicContact CB-CB 4.33Å; E450-Q455 CarbonylContact O-C 3.56Å; E450-Q455 PolarHBondContact O-N 3.02Å; E450-Q455 WeakPolarHBondContact OE2-CB 3.41Å; L453-Q455 HydrophobicContact CB-CB 4.28Å; L453-Q455 HydrophobicContact CB-CG 3.89Å; Q455-Q457 VanDerWaalsContact CD-NE2 3.34Å; Q455-Q457 VanDerWaalsContact NE2-NE2 3.11Å; Q455-Q457 PolarHBondContact O-N 2.93Å; Q455-K458 HydrophobicContact CB-CD 3.93Å; Q455-K458 HydrophobicContact CB-CG 4.34Å; Q455-K458 WeakPolarHBondContact O-CB 3.5Å; Q455-K458 WeakPolarHBondContact O-CG 3.5Å; Q455-K458 PolarHBondContact O-N 3.29Å
456	K	89.4	Confident	93.1	Very high	109 Å²	109	48.5 Å²	48.5	47%	0.474	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-48.8	-28.6	-178.8	-61.2	176.4	-177.1	175.1	0	114.2	E450 H451 K458 L459	E450-K456 PolarHBondContact O-N 2.83Å; H451-K456 WeakPolarHBondContact CD2-CE 3.32Å; H451-K456 PolarHBondContact CD2-NZ 2.76Å; H451-K456 VanDerWaalsContact CD2-NZ 3.34Å; H451-K456 PolarHBondContact CE1-NZ 3.36Å; H451-K456 VanDerWaalsContact CE1-NZ 3.28Å; H451-K456 WeakPolarHBondContact NE2-CE 3.16Å; H451-K456 PolarHBondContact NE2-NZ 2.95Å; K456-K458 PolarHBondContact O-N 3.43Å; K456-K458 VanDerWaalsContact O-N 3.15Å; K456-L459 HydrophobicContact CB-CD1 4.48Å; K456-L459 WeakPolarHBondContact O-CB 3.09Å; K456-L459 WeakPolarHBondContact O-CG 3.4Å; K456-L459 PolarHBondContact O-N 3.21Å
457	Q	87.1	Confident	93.1	Very high	112 Å²	112	50.2 Å²	50.2	52%	0.523	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-60.7	-16.3	174.6	70.5	-78.1	0.3	0	0	115	Q455 L459 I460	Q455-Q457 VanDerWaalsContact CD-NE2 3.34Å; Q455-Q457 VanDerWaalsContact NE2-NE2 3.11Å; Q455-Q457 PolarHBondContact O-N 2.93Å; Q457-L459 VanDerWaalsContact C-N 3.34Å; Q457-I460 WeakPolarHBondContact O-CG2 3.47Å
458	K	89.9	Confident	93.1	Very high	5 Å²	5	50.2 Å²	50.2	2%	0.022	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-72.9	-23.5	171.4	-68.9	174.8	-179.8	176.8	0	113.5	M383 F385 Q387 Y411 E450 Q455 K456 I460	M383-K458 HydrophobicContact CE-CD 4.45Å; M383-K458 HydrophobicContact CE-CG 3.62Å; M383-K458 HydrophobicContact SD-CG 3.88Å; F385-K458 VanDerWaalsContact O-CE 3.31Å; F385-K458 WeakPolarHBondContact O-CE 3.49Å; F385-K458 PolarHBondContact O-NZ 3.38Å; Q387-K458 WeakPolarHBondContact O-CE 3.36Å; Q387-K458 PolarHBondContact O-NZ 3Å; Y411-K458 HydrophobicContact CD1-CB 3.96Å; Y411-K458 WeakPolarHBondContact CD1-O 3.1Å; Y411-K458 HydrophobicContact CE1-CB 3.89Å; Y411-K458 HydrophobicContact CE1-CD 4.23Å; E450-K458 HydrophobicContact CG-CD 4.23Å; E450-K458 WeakPolarHBondContact OE1-CD 3.4Å; E450-K458 IonicContact OE1-NZ 2.8Å; E450-K458 PolarHBondContact OE1-NZ 3.07Å; E450-K458 WeakPolarHBondContact OE2-CD 3.48Å; E450-K458 IonicContact OE2-NZ 2.86Å; E450-K458 PolarHBondContact OE2-NZ 2.9Å; Q455-K458 HydrophobicContact CB-CD 3.93Å; Q455-K458 HydrophobicContact CB-CG 4.34Å; Q455-K458 WeakPolarHBondContact O-CB 3.5Å; Q455-K458 WeakPolarHBondContact O-CG 3.5Å; Q455-K458 PolarHBondContact O-N 3.29Å; K456-K458 PolarHBondContact O-N 3.43Å; K456-K458 VanDerWaalsContact O-N 3.15Å; K458-I460 PolarHBondContact O-N 2.82Å
459	L	91.9	Very high	93.1	Very high	21 Å²	21	51.1 Å²	51.1	11%	0.11	27%	0.266	C	S	.	.			trans	-77.2	42.9	-170.1	-54.2	174.7	0	0	0	112.2	I410 Y411 E450 K456 Q457 G461 L462	I410-L459 HydrophobicContact CG2-CD2 3.39Å; I410-L459 CarbonylContact O-C 3.55Å; I410-L459 WeakPolarHBondContact O-CA 3.32Å; Y411-L459 HydrophobicContact CE1-CD2 4.27Å; E450-L459 HydrophobicContact CB-CD1 4.4Å; E450-L459 HydrophobicContact CB-CD2 3.96Å; E450-L459 HydrophobicContact CB-CG 4.25Å; E450-L459 HydrophobicContact CG-CD2 3.87Å; K456-L459 HydrophobicContact CB-CD1 4.48Å; K456-L459 WeakPolarHBondContact O-CB 3.09Å; K456-L459 WeakPolarHBondContact O-CG 3.4Å; K456-L459 PolarHBondContact O-N 3.21Å; Q457-L459 VanDerWaalsContact C-N 3.34Å; L459-G461 PolarHBondContact O-N 3.43Å; L459-G461 VanDerWaalsContact O-N 3.09Å; L459-L462 HydrophobicContact CB-CB 4.39Å; L459-L462 PolarHBondContact O-N 3.46Å
460	I	89.4	Confident	93	Very high	61 Å²	61	50.1 Å²	50.1	31%	0.313	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-10.5	-168.9	65.1	170.1	0	0	0	114.7	I410 Y411 Q413 Q457 K458	I410-I460 PolarHBondContact O-N 3.49Å; Y411-I460 WeakPolarHBondContact O-CD1 3.2Å; Y411-I460 VanDerWaalsContact O-CG1 3.3Å; Y411-I460 WeakPolarHBondContact O-CG1 3.34Å; Q413-I460 HydrophobicContact CB-CD1 4.47Å; Q457-I460 WeakPolarHBondContact O-CG2 3.47Å; K458-I460 PolarHBondContact O-N 2.82Å
461	G	91.9	Very high	92.7	Very high	4 Å²	4	51.2 Å²	51.2	4%	0.041	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-20.1	171.4	0	0	0	0	0	114.4	P409 I410 C412 L459 N463	P409-G461 CarbonylContact O-C 3.16Å; P409-G461 VanDerWaalsContact O-CA 3.3Å; P409-G461 WeakPolarHBondContact O-CA 3.37Å; I410-G461 PolarHBondContact O-N 3.5Å; C412-G461 VanDerWaalsContact O-CA 3.28Å; C412-G461 WeakPolarHBondContact O-CA 3.48Å; L459-G461 PolarHBondContact O-N 3.43Å; L459-G461 VanDerWaalsContact O-N 3.09Å; G461-N463 PolarHBondContact O-N 2.84Å
462	L	93.3	Very high	92.5	Very high	43 Å²	43	49.3 Å²	49.3	23%	0.225	26%	0.259	C	S	.	.			trans	-88.7	94.4	178.7	178.3	67	0	0	0	110.2	L459 P464 I466 V483	L459-L462 HydrophobicContact CB-CB 4.39Å; L459-L462 PolarHBondContact O-N 3.46Å; L462-P464 WeakPolarHBondContact CD1-O 3.21Å; L462-I466 HydrophobicContact CD1-CG1 4.13Å; L462-V483 HydrophobicContact CD1-CB 4.37Å
463	N	90.2	Very high	92	Very high	140 Å²	140	45.5 Å²	45.5	75%	0.749	24%	0.243	S	C	*	.	S	Bend	trans	-155.8	97.4	-179.7	-174	8.6	0	0	0	114	G461 Y465	G461-N463 PolarHBondContact O-N 2.84Å; N463-Y465 PolarHBondContact N-O 2.88Å; N463-Y465 VanDerWaalsContact N-O 3.16Å
464	P	90.8	Very high	91.6	Very high	94 Å²	94	45.4 Å²	45.4	61%	0.61	26%	0.255	S	S	*	.	S	Bend	cis	-76.9	-11	-25.1	35	-34.8	0	0	0	111.8	L462	L462-P464 WeakPolarHBondContact CD1-O 3.21Å
465	Y	96.4	Very high	91.6	Very high	80 Å²	80	45.4 Å²	45.4	31%	0.314	25%	0.251	S	S	.	.	S	Bend	trans	-101.2	160.4	178.6	-55.1	-62.8	0	0	0	111	N463 Q480 I481 Q482	N463-Y465 PolarHBondContact N-O 2.88Å; N463-Y465 VanDerWaalsContact N-O 3.16Å; Y465-Q480 HydrophobicContact CD2-CB 4.05Å; Y465-Q480 HydrophobicContact CG-CB 4.13Å; Y465-I481 WeakPolarHBondContact CA-O 3.49Å; Y465-Q482 HydrophobicContact CD1-CB 4.35Å; Y465-Q482 HydrophobicContact CE1-CB 4.45Å
466	I	97.1	Very high	91.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	142	158.7	-93.4	173.5	0	0	0	109.2	P409 I410 Y443 L462 I481 V483	P409-I466 HydrophobicContact CB-CD1 4.37Å; P409-I466 HydrophobicContact CB-CG1 4.24Å; P409-I466 HydrophobicContact CB-CG2 3.73Å; P409-I466 HydrophobicContact CG-CG2 4.47Å; I410-I466 HydrophobicContact CG1-CD1 3.98Å; Y443-I466 HydrophobicContact CD1-CD1 4.37Å; Y443-I466 HydrophobicContact CD2-CD1 3.97Å; Y443-I466 HydrophobicContact CD2-CG2 4.01Å; Y443-I466 HydrophobicContact CE2-CG2 3.95Å; Y443-I466 HydrophobicContact CG-CD1 3.78Å; L462-I466 HydrophobicContact CD1-CG1 4.13Å; I466-I481 HydrophobicContact CG2-CB 4.32Å; I466-I481 HydrophobicContact CG2-CD1 4.22Å; I466-I481 PolarHBondContact N-O 3.23Å; I466-I481 PolarHBondContact O-N 3.49Å; I466-V483 HydrophobicContact CB-CG2 4.21Å; I466-V483 HydrophobicContact CD1-CB 4.38Å; I466-V483 HydrophobicContact CD1-CG1 4.43Å; I466-V483 HydrophobicContact CD1-CG2 4.03Å; I466-V483 HydrophobicContact CG1-CG2 4.49Å
467	L	97.7	Very high	92	Very high	35 Å²	35	40.9 Å²	40.9	18%	0.183	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	118.8	179.1	-56.2	178.9	0	0	0	110.7	G415 V416 Y469 T478 Y479 Q480	G415-L467 CarbonylContact C-O 3.56Å; G415-L467 WeakPolarHBondContact CA-O 3.45Å; V416-L467 PolarHBondContact N-O 3.42Å; L467-Y469 HydrophobicContact CB-CE2 4.42Å; L467-T478 HydrophobicContact CD2-CG2 4.21Å; L467-Y479 WeakPolarHBondContact CA-O 3.36Å; L467-Q480 HydrophobicContact CD2-CB 4.29Å; L467-Q480 HydrophobicContact CD2-CG 3.76Å
468	E	97.7	Very high	92.5	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	142.5	162.3	-62.3	179.8	-177.2	0	0	109.6	V416 L418 R439 Y443 T478 Y479 I481	V416-E468 HydrophobicContact CG1-CB 4.19Å; V416-E468 HydrophobicContact CG1-CG 3.78Å; V416-E468 CarbonylContact O-C 3.47Å; V416-E468 WeakPolarHBondContact O-CA 3.42Å; L418-E468 HydrophobicContact CD1-CB 4.16Å; L418-E468 HydrophobicContact CD1-CG 4.23Å; L418-E468 WeakPolarHBondContact CD1-OE2 3.39Å; R439-E468 IonicContact CZ-OE1 3.5Å; R439-E468 IonicContact CZ-OE2 2.71Å; R439-E468 IonicContact NE-OE1 3.23Å; R439-E468 PolarHBondContact NE-OE1 3.17Å; R439-E468 IonicContact NE-OE2 2.74Å; R439-E468 IonicContact NH2-OE1 2.74Å; R439-E468 PolarHBondContact NH2-OE1 3.49Å; R439-E468 IonicContact NH2-OE2 3.37Å; R439-E468 PolarHBondContact NH2-OE2 3.48Å; Y443-E468 WeakPolarHBondContact CE2-OE1 3.5Å; Y443-E468 PolarHBondContact OH-OE1 2.87Å; E468-T478 CarbonylContact O-C 3.36Å; E468-T478 WeakPolarHBondContact O-CA 3.28Å; E468-Y479 PolarHBondContact N-O 2.98Å; E468-Y479 VanDerWaalsContact N-O 3.1Å; E468-Y479 PolarHBondContact O-N 3.45Å; E468-I481 HydrophobicContact CB-CD1 4.45Å; E468-I481 HydrophobicContact CG-CD1 3.8Å
469	Y	96.9	Very high	92.9	Very high	20 Å²	20	35.8 Å²	35.8	8%	0.078	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	120.7	167.9	-47.1	-94	0	0	0	108.9	L88 L92 G414 V416 V417 L418 L467 T477 T478 T724	L88-Y469 HydrophobicContact CD1-CD2 4.35Å; L88-Y469 HydrophobicContact CD1-CE2 3.84Å; L92-Y469 HydrophobicContact CD1-CE1 4.35Å; L92-Y469 HydrophobicContact CD2-CD1 3.74Å; L92-Y469 HydrophobicContact CD2-CD2 4Å; L92-Y469 HydrophobicContact CD2-CE1 4.27Å; L92-Y469 HydrophobicContact CD2-CG 3.59Å; G414-Y469 WeakPolarHBondContact O-CE2 3.29Å; G414-Y469 PolarHBondContact O-OH 3.09Å; G414-Y469 VanDerWaalsContact O-OH 3.04Å; V416-Y469 WeakPolarHBondContact O-CD2 3.43Å; V416-Y469 PolarHBondContact O-N 2.99Å; V417-Y469 HydrophobicContact CG2-CD2 3.79Å; V417-Y469 HydrophobicContact CG2-CE2 4.49Å; V417-Y469 HydrophobicContact CG2-CG 4.37Å; L418-Y469 PolarHBondContact N-O 3.47Å; L467-Y469 HydrophobicContact CB-CE2 4.42Å; Y469-T477 WeakPolarHBondContact CA-O 3.47Å; Y469-T478 HydrophobicContact CD1-CG2 3.78Å; Y469-T478 VanDerWaalsContact CD1-OG1 3.26Å; Y469-T478 WeakPolarHBondContact CD1-OG1 3.42Å; Y469-T478 HydrophobicContact CE1-CG2 3.52Å; Y469-T478 WeakPolarHBondContact CE1-OG1 3.49Å; Y469-T724 HydrophobicContact CD1-CG2 3.63Å; Y469-T724 HydrophobicContact CE1-CG2 3.98Å
470	H	93.6	Very high	93.2	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	169.8	173.7	67.5	85.9	0	0	0	112	L418 S430 Y432 E433 T477 Y479	L418-H470 HydrophobicContact CB-CB 4.13Å; L418-H470 HydrophobicContact CD1-CB 4.31Å; S430-H470 PolarHBondContact OG-CE1 3.4Å; Y432-H470 HydrophobicContact CD2-CB 3.9Å; Y432-H470 HydrophobicContact CE2-CB 4.45Å; E433-H470 IonicContact OE2-CE1 3.47Å; H470-T477 PolarHBondContact N-O 2.92Å; H470-T477 VanDerWaalsContact N-O 3.11Å; H470-T477 PolarHBondContact O-N 3.08Å; H470-Y479 AromaticContact CD2-CD2 3.85Å; H470-Y479 AromaticContact CD2-CE2 3.87Å; H470-Y479 AromaticContact CE1-CE2 3.43Å; H470-Y479 VanDerWaalsContact CE1-CE2 3.43Å; H470-Y479 WeakPolarHBondContact CE1-CE2 3.48Å; H470-Y479 AromaticContact CE1-CZ 3.62Å; H470-Y479 AromaticContact NE2-CD2 3.48Å; H470-Y479 WeakPolarHBondContact NE2-CD2 3.42Å; H470-Y479 AromaticContact NE2-CE1 3.97Å; H470-Y479 AromaticContact NE2-CE2 3.15Å; H470-Y479 WeakPolarHBondContact NE2-CE2 3.44Å; H470-Y479 AromaticContact NE2-CZ 3.44Å
471	R	90.3	Very high	93.6	Very high	22 Å²	22	34.5 Å²	34.5	8%	0.083	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	136.2	173.5	-179.4	-177.2	173.6	-147.9	-2.9	109.7	I99 L420 E423 G473 T475	I99-R471 HydrophobicContact CD1-CB 3.9Å; I99-R471 HydrophobicContact CD1-CG 4.09Å; I99-R471 HydrophobicContact CG1-CB 4.33Å; I99-R471 HydrophobicContact CG1-CG 4.18Å; L420-R471 HydrophobicContact CD1-CB 4.27Å; E423-R471 PolarHBondContact O-NH1 3.2Å; E423-R471 PolarHBondContact O-NH2 3Å; R471-G473 PolarHBondContact NE-O 3.39Å; R471-G473 PolarHBondContact NH2-O 2.91Å; R471-T475 WeakPolarHBondContact CA-O 3.25Å
472	V	88.9	Confident	93.9	Very high	36 Å²	36	37.8 Å²	37.8	22%	0.218	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	117.4	162.4	-178.9	0	0	0	0	106.4	G474 T475 T477 Y479	V472-G474 PolarHBondContact O-N 3.25Å; V472-T475 PolarHBondContact N-O 3.23Å; V472-T475 PolarHBondContact O-N 2.89Å; V472-T475 PolarHBondContact O-OG1 3.4Å; V472-T477 HydrophobicContact CG2-CG2 4.26Å; V472-Y479 HydrophobicContact CG2-CE2 3.82Å; V472-Y479 WeakPolarHBondContact CG2-OH 3.39Å
473	G	84.7	Confident	94	Very high	22 Å²	22	36.1 Å²	36.1	23%	0.227	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	-108.4	-174.5	0	0	0	0	0	113.5	P425 R471	P425-G473 WeakPolarHBondContact CB-O 3.26Å; P425-G473 WeakPolarHBondContact O-CA 3.46Å; R471-G473 PolarHBondContact NE-O 3.39Å; R471-G473 PolarHBondContact NH2-O 2.91Å
474	G	85.4	Confident	94.3	Very high	49 Å²	49	33.7 Å²	33.7	51%	0.505	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	2.5	180	0	0	0	0	0	116	I99 V472	I99-G474 VanDerWaalsContact CG2-O 3.25Å; I99-G474 WeakPolarHBondContact CG2-O 3.46Å; V472-G474 PolarHBondContact O-N 3.25Å
475	T	90.5	Very high	94.5	Very high	86 Å²	86	31.7 Å²	31.7	53%	0.528	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	165	-173.1	55.6	0	0	0	0	112.8	R471 V472	R471-T475 WeakPolarHBondContact CA-O 3.25Å; V472-T475 PolarHBondContact N-O 3.23Å; V472-T475 PolarHBondContact O-N 2.89Å; V472-T475 PolarHBondContact O-OG1 3.4Å
476	L	93.5	Very high	94.5	Very high	13 Å²	13	29.5 Å²	29.5	7%	0.068	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	125.5	166.7	-174.4	53.1	0	0	0	108.1	L92 M95 E96 I99 T724	L92-L476 HydrophobicContact CB-CD2 4.35Å; L92-L476 HydrophobicContact CD2-CD2 4.01Å; M95-L476 HydrophobicContact CB-CD2 4.07Å; M95-L476 HydrophobicContact CG-CD1 3.6Å; M95-L476 HydrophobicContact CG-CD2 3.99Å; M95-L476 HydrophobicContact CG-CG 4.39Å; E96-L476 HydrophobicContact CB-CD2 4.16Å; I99-L476 HydrophobicContact CD1-CB 4.06Å; I99-L476 HydrophobicContact CD1-CD1 4.27Å; L476-T724 HydrophobicContact CD2-CG2 4.16Å; L476-T724 HydrophobicContact CG-CG2 4.14Å; L476-T724 PolarHBondContact O-N 3.28Å; L476-T724 PolarHBondContact O-OG1 2.69Å
477	T	95.5	Very high	94.4	Very high	14 Å²	14	33.3 Å²	33.3	9%	0.086	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	137.3	-175.4	-60.3	0	0	0	0	110.1	Y469 H470 V472 Y479 K721 T724	Y469-T477 WeakPolarHBondContact CA-O 3.47Å; H470-T477 PolarHBondContact N-O 2.92Å; H470-T477 VanDerWaalsContact N-O 3.11Å; H470-T477 PolarHBondContact O-N 3.08Å; V472-T477 HydrophobicContact CG2-CG2 4.26Å; T477-Y479 HydrophobicContact CG2-CD2 4.06Å; T477-Y479 HydrophobicContact CG2-CE2 3.67Å; T477-K721 HydrophobicContact CG2-CB 4.05Å; T477-T724 WeakPolarHBondContact CA-OG1 3.36Å; T477-T724 PolarHBondContact N-OG1 2.6Å
478	T	97.6	Very high	94.2	Very high	10 Å²	10	32.9 Å²	32.9	6%	0.061	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	130	173	-47.1	0	0	0	0	108.8	L467 E468 Y469 V722 T724	L467-T478 HydrophobicContact CD2-CG2 4.21Å; E468-T478 CarbonylContact O-C 3.36Å; E468-T478 WeakPolarHBondContact O-CA 3.28Å; Y469-T478 HydrophobicContact CD1-CG2 3.78Å; Y469-T478 VanDerWaalsContact CD1-OG1 3.26Å; Y469-T478 WeakPolarHBondContact CD1-OG1 3.42Å; Y469-T478 HydrophobicContact CE1-CG2 3.52Å; Y469-T478 WeakPolarHBondContact CE1-OG1 3.49Å; T478-V722 HydrophobicContact CG2-CG2 4.46Å; T478-V722 PolarHBondContact N-O 3.38Å; T478-V722 PolarHBondContact O-N 2.84Å; T478-T724 PolarHBondContact N-OG1 3.24Å; T478-T724 WeakPolarHBondContact OG1-CA 3.49Å; T478-T724 WeakPolarHBondContact OG1-CB 3.47Å; T478-T724 PolarHBondContact OG1-OG1 2.95Å
479	Y	97.8	Very high	94.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	117.2	172	-76.1	-117.8	0	0	0	108	E433 L467 E468 H470 V472 T477 Y719 Q720 K721	E433-Y479 HydrophobicContact CG-CE1 3.97Å; E433-Y479 WeakPolarHBondContact CG-OH 3.34Å; E433-Y479 PolarHBondContact OE1-OH 2.86Å; E433-Y479 PolarHBondContact OE2-OH 3.14Å; L467-Y479 WeakPolarHBondContact CA-O 3.36Å; E468-Y479 PolarHBondContact N-O 2.98Å; E468-Y479 VanDerWaalsContact N-O 3.1Å; E468-Y479 PolarHBondContact O-N 3.45Å; H470-Y479 AromaticContact CD2-CD2 3.85Å; H470-Y479 AromaticContact CD2-CE2 3.87Å; H470-Y479 AromaticContact CE1-CE2 3.43Å; H470-Y479 VanDerWaalsContact CE1-CE2 3.43Å; H470-Y479 WeakPolarHBondContact CE1-CE2 3.48Å; H470-Y479 AromaticContact CE1-CZ 3.62Å; H470-Y479 AromaticContact NE2-CD2 3.48Å; H470-Y479 WeakPolarHBondContact NE2-CD2 3.42Å; H470-Y479 AromaticContact NE2-CE1 3.97Å; H470-Y479 AromaticContact NE2-CE2 3.15Å; H470-Y479 WeakPolarHBondContact NE2-CE2 3.44Å; H470-Y479 AromaticContact NE2-CZ 3.44Å; V472-Y479 HydrophobicContact CG2-CE2 3.82Å; V472-Y479 WeakPolarHBondContact CG2-OH 3.39Å; T477-Y479 HydrophobicContact CG2-CD2 4.06Å; T477-Y479 HydrophobicContact CG2-CE2 3.67Å; Y479-Y719 AromaticContact CD1-CD2 3.57Å; Y479-Y719 HydrophobicContact CD1-CD2 3.57Å; Y479-Y719 AromaticContact CD1-CE2 3.7Å; Y479-Y719 HydrophobicContact CD1-CE2 3.7Å; Y479-Y719 AromaticContact CE1-CD2 3.97Å; Y479-Y719 HydrophobicContact CE1-CD2 3.97Å; Y479-Y719 AromaticContact CE1-CE2 3.58Å; Y479-Y719 HydrophobicContact CE1-CE2 3.58Å; Y479-Q720 WeakPolarHBondContact CA-O 3.36Å; Y479-K721 HydrophobicContact CD1-CG 4.2Å; Y479-K721 HydrophobicContact CE1-CD 3.97Å; Y479-K721 HydrophobicContact CE1-CG 3.72Å; Y479-K721 HydrophobicContact CE2-CG 4.35Å; Y479-K721 WeakPolarHBondContact OH-CD 3.41Å; Y479-K721 WeakPolarHBondContact OH-CE 3.47Å; Y479-K721 PolarHBondContact OH-NZ 3.13Å
480	Q	97.8	Very high	93.7	Very high	55 Å²	55	38.5 Å²	38.5	26%	0.257	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	104.1	172.3	-56	-172.6	-7.7	0	0	107.7	Y465 L467 Y719 Q720	Y465-Q480 HydrophobicContact CD2-CB 4.05Å; Y465-Q480 HydrophobicContact CG-CB 4.13Å; L467-Q480 HydrophobicContact CD2-CB 4.29Å; L467-Q480 HydrophobicContact CD2-CG 3.76Å; Q480-Y719 CarbonylContact O-C 3.54Å; Q480-Y719 WeakPolarHBondContact O-CA 3.1Å; Q480-Y719 WeakPolarHBondContact O-CB 3.39Å; Q480-Q720 HydrophobicContact CB-CB 4.41Å; Q480-Q720 PolarHBondContact N-O 3.19Å; Q480-Q720 PolarHBondContact O-N 3.17Å
481	I	98.1	Very high	93.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	126.9	-170	-57.8	157.9	0	0	0	109.4	L436 Y465 I466 E468 V483 I717	L436-I481 HydrophobicContact CD1-CD1 3.69Å; L436-I481 HydrophobicContact CD1-CG1 4.42Å; Y465-I481 WeakPolarHBondContact CA-O 3.49Å; I466-I481 HydrophobicContact CG2-CB 4.32Å; I466-I481 HydrophobicContact CG2-CD1 4.22Å; I466-I481 PolarHBondContact N-O 3.23Å; I466-I481 PolarHBondContact O-N 3.49Å; E468-I481 HydrophobicContact CB-CD1 4.45Å; E468-I481 HydrophobicContact CG-CD1 3.8Å; I481-V483 HydrophobicContact CG2-CG2 3.95Å; I481-I717 HydrophobicContact CG2-CG2 4.42Å
482	Q	97.6	Very high	93.8	Very high	74 Å²	74	51.5 Å²	51.5	35%	0.346	28%	0.283	S	S	.	.			trans	-76.1	128.6	171.5	-176.7	177.1	-31.9	0	0	110.1	W440 Y465 D484 V718	W440-Q482 PolarHBondContact NE1-O 2.71Å; Y465-Q482 HydrophobicContact CD1-CB 4.35Å; Y465-Q482 HydrophobicContact CE1-CB 4.45Å; Q482-D484 PolarHBondContact NE2-OD2 3.19Å; Q482-V718 HydrophobicContact CB-CB 4.14Å; Q482-V718 HydrophobicContact CB-CG1 4.42Å; Q482-V718 WeakPolarHBondContact CB-O 3.48Å; Q482-V718 PolarHBondContact N-O 3.36Å
483	V	97.1	Very high	94.2	Very high	8 Å²	8	51.8 Å²	51.8	5%	0.048	28%	0.283	C	S	.	.			trans	-135.4	98	-177.2	178.1	0	0	0	0	109.5	Y443 R444 L462 I466 I481	Y443-V483 HydrophobicContact CD2-CG2 4.32Å; R444-V483 HydrophobicContact CB-CG1 4.46Å; R444-V483 HydrophobicContact CG-CG1 3.82Å; L462-V483 HydrophobicContact CD1-CB 4.37Å; I466-V483 HydrophobicContact CB-CG2 4.21Å; I466-V483 HydrophobicContact CD1-CB 4.38Å; I466-V483 HydrophobicContact CD1-CG1 4.43Å; I466-V483 HydrophobicContact CD1-CG2 4.03Å; I466-V483 HydrophobicContact CG1-CG2 4.49Å; I481-V483 HydrophobicContact CG2-CG2 3.95Å
484	D	94.8	Very high	94.7	Very high	88 Å²	88	53.2 Å²	53.2	47%	0.471	29%	0.288	S	S	.	.			trans	-87.5	131.7	173.3	-62.6	-69.7	0	0	0	110.2	R444 Q482 L486	R444-D484 WeakPolarHBondContact CG-O 3.31Å; R444-D484 PolarHBondContact NE-O 2.98Å; Q482-D484 PolarHBondContact NE2-OD2 3.19Å; D484-L486 PolarHBondContact O-N 3.36Å
485	P	96.3	Very high	95.2	Very high	53 Å²	53	50.9 Å²	50.9	34%	0.344	26%	0.264	S	S	.	.			trans	-51.3	136.2	-178.3	-27.6	33.8	0	0	0	113.3	C447 I487	C447-P485 HydrophobicContact CB-CB 4.24Å; C447-P485 HydrophobicContact CB-CG 4.13Å; P485-I487 HydrophobicContact CB-CD1 4.46Å
486	L	96.3	Very high	95.5	Very high	33 Å²	33	47.7 Å²	47.7	17%	0.173	24%	0.243	C	C	.	.			trans	-105.8	109.2	172.7	-179.8	56.2	0	0	0	109.6	M441 R444 L445 D484 M498	M441-L486 HydrophobicContact CE-CD2 4.22Å; M441-L486 HydrophobicContact SD-CD2 3.43Å; M441-L486 WeakPolarHBondContact SD-CD2 3.35Å; R444-L486 HydrophobicContact CB-CB 3.8Å; R444-L486 PolarHBondContact O-N 2.92Å; L445-L486 HydrophobicContact CD2-CD2 4.27Å; D484-L486 PolarHBondContact O-N 3.36Å; L486-M498 HydrophobicContact CD2-CE 3.48Å; L486-M498 VanDerWaalsContact CD2-CE 3.48Å; L486-M498 HydrophobicContact CG-CE 4.27Å
487	I	95	Very high	95.5	Very high	80 Å²	80	48.5 Å²	48.5	41%	0.41	26%	0.255	S	S	.	.			trans	-89.4	122.3	175.3	-48.6	-52.3	0	0	0	107.8	H451 P485	H451-I487 HydrophobicContact CB-CD1 3.97Å; P485-I487 HydrophobicContact CB-CD1 4.46Å
488	L	93.7	Very high	95.5	Very high	26 Å²	26	48.4 Å²	48.4	14%	0.136	25%	0.254	C	S	.	.			trans	-77.1	130.9	179.7	-62.8	177.9	0	0	0	111.5	L445 Q490 D493 M498 L624 L625	L445-L488 HydrophobicContact CD2-CD1 4.27Å; L445-L488 HydrophobicContact CD2-CD2 3.75Å; L445-L488 HydrophobicContact CD2-CG 4.17Å; L488-Q490 PolarHBondContact O-N 2.87Å; L488-D493 WeakPolarHBondContact CA-OD2 3.38Å; L488-M498 HydrophobicContact CD2-CE 3.38Å; L488-M498 HydrophobicContact CD2-SD 3.38Å; L488-M498 WeakPolarHBondContact CD2-SD 3.48Å; L488-L624 HydrophobicContact CD1-CB 3.54Å; L488-L624 HydrophobicContact CD1-CD1 4.14Å; L488-L624 HydrophobicContact CD1-CG 4.43Å; L488-L625 HydrophobicContact CB-CD2 4.39Å; L488-L625 HydrophobicContact CD1-CD2 4.04Å
489	N	94.1	Very high	95.4	Very high	58 Å²	58	47.9 Å²	47.9	31%	0.31	25%	0.251	S	S	.	.			trans	-86.1	101.5	165	-173.8	-8.7	0	0	0	109.6	H491 E492 D493	N489-H491 PolarHBondContact O-N 3.44Å; N489-H491 PolarHBondContact OD1-N 2.98Å; N489-H491 VanDerWaalsContact OD1-N 3.08Å; N489-E492 HydrophobicContact CB-CB 4.18Å; N489-E492 WeakPolarHBondContact ND2-CG 3.49Å; N489-E492 PolarHBondContact ND2-OE2 3.26Å; N489-E492 PolarHBondContact O-N 2.88Å; N489-D493 PolarHBondContact N-OD2 2.93Å; N489-D493 WeakPolarHBondContact O-CB 3.19Å; N489-D493 PolarHBondContact O-N 3.33Å
490	Q	89.9	Confident	95.3	Very high	80 Å²	80	48.8 Å²	48.8	37%	0.374	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-13	-179.8	-62.2	-73.1	-59.3	0	0	114.7	L488 L624	L488-Q490 PolarHBondContact O-N 2.87Å; Q490-L624 PolarHBondContact NE2-O 3.44Å
491	H	91.6	Very high	95.1	Very high	149 Å²	149	49.4 Å²	49.4	69%	0.69	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-14.9	179.9	-55.9	-51.8	0	0	0	114.4	N489 R629	N489-H491 PolarHBondContact O-N 3.44Å; N489-H491 PolarHBondContact OD1-N 2.98Å; N489-H491 VanDerWaalsContact OD1-N 3.08Å; H491-R629 VanDerWaalsContact C-NH1 3.31Å; H491-R629 VanDerWaalsContact O-CZ 3.26Å; H491-R629 PolarHBondContact O-NH1 3.19Å; H491-R629 PolarHBondContact O-NH2 3.47Å
492	E	94	Very high	94.9	Very high	148 Å²	148	49.5 Å²	49.5	69%	0.692	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.1	-41.9	-175.4	-71.1	172.9	177.6	0	0	112.2	N489	N489-E492 HydrophobicContact CB-CB 4.18Å; N489-E492 WeakPolarHBondContact ND2-CG 3.49Å; N489-E492 PolarHBondContact ND2-OE2 3.26Å; N489-E492 PolarHBondContact O-N 2.88Å
493	D	96.2	Very high	94.8	Very high	41 Å²	41	46.3 Å²	46.3	22%	0.219	25%	0.253	C	S	.	.			trans	-64.8	149.4	-178.2	-74.8	-45.8	0	0	0	112.3	L488 N489 M498 L625	L488-D493 WeakPolarHBondContact CA-OD2 3.38Å; N489-D493 PolarHBondContact N-OD2 2.93Å; N489-D493 WeakPolarHBondContact O-CB 3.19Å; N489-D493 PolarHBondContact O-N 3.33Å; D493-M498 HydrophobicContact CB-CG 4.36Å; D493-M498 HydrophobicContact CB-SD 4.31Å; D493-L625 HydrophobicContact CB-CD1 4.3Å; D493-L625 HydrophobicContact CB-CD2 4.02Å
494	T	96.5	Very high	94.6	Very high	53 Å²	53	46.3 Å²	46.3	33%	0.325	26%	0.255	S	S	.	.			trans	-141.8	146.2	173.6	49.7	0	0	0	0	108.6	D496 G497 M498 R629	T494-D496 VanDerWaalsContact C-N 3.3Å; T494-D496 PolarHBondContact O-N 2.88Å; T494-G497 PolarHBondContact O-N 2.92Å; T494-G497 PolarHBondContact OG1-N 3.44Å; T494-M498 WeakPolarHBondContact O-CB 3.42Å; T494-M498 WeakPolarHBondContact O-CG 3.12Å; T494-M498 PolarHBondContact O-N 3.06Å; T494-R629 WeakPolarHBondContact CA-O 3.45Å; T494-R629 HydrophobicContact CG2-CB 4.41Å
495	T	96.2	Very high	94.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57.2	-45.7	179.6	-57	0	0	0	0	111.6	G497 M498 L499 T618 I621 D622 R629	T495-G497 PolarHBondContact O-N 3.23Å; T495-M498 PolarHBondContact O-N 3.29Å; T495-L499 HydrophobicContact CG2-CD1 3.71Å; T495-L499 HydrophobicContact CG2-CG 4.25Å; T495-L499 VanDerWaalsContact O-CB 3.29Å; T495-L499 WeakPolarHBondContact O-CB 3.18Å; T495-L499 WeakPolarHBondContact O-CG 3.38Å; T495-L499 PolarHBondContact O-N 3.07Å; T495-T618 HydrophobicContact CG2-CG2 3.84Å; T495-I621 HydrophobicContact CG2-CB 4.08Å; T495-I621 HydrophobicContact CG2-CG2 4.16Å; T495-D622 VanDerWaalsContact CB-OD1 3.28Å; T495-D622 WeakPolarHBondContact CB-OD1 3.27Å; T495-D622 WeakPolarHBondContact CG2-OD1 3.44Å; T495-D622 PolarHBondContact OG1-OD1 3.22Å; T495-R629 PolarHBondContact N-O 3.25Å; T495-R629 PolarHBondContact OG1-O 2.97Å
496	D	95.1	Very high	94	Very high	18 Å²	18	42.7 Å²	42.7	10%	0.096	24%	0.237	C	C	.	.	H	α-helix	trans	-67.7	-35	-178.7	-64.7	-40.5	0	0	0	112.2	T494 S500 F507 S631 N632	T494-D496 VanDerWaalsContact C-N 3.3Å; T494-D496 PolarHBondContact O-N 2.88Å; D496-S500 VanDerWaalsContact O-CB 3.29Å; D496-S500 WeakPolarHBondContact O-CB 3.4Å; D496-S500 PolarHBondContact O-N 2.63Å; D496-S500 PolarHBondContact O-OG 3.46Å; D496-F507 HydrophobicContact CB-CE2 4.13Å; D496-F507 HydrophobicContact CB-CZ 4.24Å; D496-F507 WeakPolarHBondContact OD1-CE2 3.45Å; D496-S631 WeakPolarHBondContact OD1-CB 3.28Å; D496-S631 WeakPolarHBondContact OD2-CA 3.3Å; D496-N632 PolarHBondContact OD2-N 3.14Å; D496-N632 VanDerWaalsContact OD2-N 3.16Å
497	G	94.7	Very high	93.8	Very high	31 Å²	31	41.1 Å²	41.1	32%	0.32	23%	0.229	S	C	.	.	H	α-helix	trans	-69.5	-45.2	174.2	0	0	0	0	0	113.1	T494 T495 L499 S500 S501	T494-G497 PolarHBondContact O-N 2.92Å; T494-G497 PolarHBondContact OG1-N 3.44Å; T495-G497 PolarHBondContact O-N 3.23Å; G497-L499 PolarHBondContact O-N 3.46Å; G497-S500 WeakPolarHBondContact O-CB 3.38Å; G497-S500 PolarHBondContact O-N 3.31Å; G497-S501 PolarHBondContact O-N 3.15Å
498	M	95.1	Very high	93.2	Very high	11 Å²	11	39.5 Å²	39.5	5%	0.054	22%	0.224	C	C	.	.	H	α-helix	trans	-61.6	-43.8	175	-69.7	-161.5	84.7	0	0	111.9	L445 L486 L488 D493 T494 T495 S501 I502 I621	L445-M498 HydrophobicContact CD2-CE 4.19Å; L486-M498 HydrophobicContact CD2-CE 3.48Å; L486-M498 VanDerWaalsContact CD2-CE 3.48Å; L486-M498 HydrophobicContact CG-CE 4.27Å; L488-M498 HydrophobicContact CD2-CE 3.38Å; L488-M498 HydrophobicContact CD2-SD 3.38Å; L488-M498 WeakPolarHBondContact CD2-SD 3.48Å; D493-M498 HydrophobicContact CB-CG 4.36Å; D493-M498 HydrophobicContact CB-SD 4.31Å; T494-M498 WeakPolarHBondContact O-CB 3.42Å; T494-M498 WeakPolarHBondContact O-CG 3.12Å; T494-M498 PolarHBondContact O-N 3.06Å; T495-M498 PolarHBondContact O-N 3.29Å; M498-S501 WeakPolarHBondContact O-CB 3.38Å; M498-S501 PolarHBondContact O-N 3.07Å; M498-S501 PolarHBondContact O-OG 2.87Å; M498-I502 PolarHBondContact O-N 3.16Å; M498-I621 HydrophobicContact CB-CD1 4.02Å; M498-I621 HydrophobicContact SD-CD1 4.32Å; M498-I621 HydrophobicContact SD-CG1 4.39Å; M498-I621 HydrophobicContact SD-CG2 3.68Å
499	L	96	Very high	92.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.9	-41.9	176.1	-73.1	175.1	0	0	0	111.4	T495 G497 S501 I502 V503 F507 L614 L617 T618 I621 L634	T495-L499 HydrophobicContact CG2-CD1 3.71Å; T495-L499 HydrophobicContact CG2-CG 4.25Å; T495-L499 VanDerWaalsContact O-CB 3.29Å; T495-L499 WeakPolarHBondContact O-CB 3.18Å; T495-L499 WeakPolarHBondContact O-CG 3.38Å; T495-L499 PolarHBondContact O-N 3.07Å; G497-L499 PolarHBondContact O-N 3.46Å; L499-S501 PolarHBondContact O-N 2.88Å; L499-I502 VanDerWaalsContact O-CG2 3.31Å; L499-I502 WeakPolarHBondContact O-CG2 3.43Å; L499-I502 PolarHBondContact O-N 3.4Å; L499-I502 VanDerWaalsContact O-N 3.1Å; L499-V503 WeakPolarHBondContact O-CG2 3.39Å; L499-V503 PolarHBondContact O-N 2.59Å; L499-F507 HydrophobicContact CB-CE1 3.75Å; L499-F507 HydrophobicContact CB-CZ 3.63Å; L499-F507 HydrophobicContact CD1-CZ 4.14Å; L499-L614 HydrophobicContact CD2-CD1 4.04Å; L499-L617 HydrophobicContact CD2-CB 4.27Å; L499-L617 HydrophobicContact CD2-CD2 3.66Å; L499-L617 HydrophobicContact CD2-CG 3.76Å; L499-T618 HydrophobicContact CD1-CG2 4.15Å; L499-T618 WeakPolarHBondContact CD1-OG1 3.1Å; L499-I621 HydrophobicContact CD2-CD1 4.2Å; L499-I621 HydrophobicContact CG-CD1 4.31Å; L499-L634 HydrophobicContact CD1-CD1 3.55Å
500	S	95.1	Very high	92.1	Very high	18 Å²	18	43.9 Å²	43.9	13%	0.126	25%	0.246	C	C	.	.	H	α-helix	trans	-57	-38.1	173.6	-62.3	0	0	0	0	111.9	D496 G497 I502 G504 F505	D496-S500 VanDerWaalsContact O-CB 3.29Å; D496-S500 WeakPolarHBondContact O-CB 3.4Å; D496-S500 PolarHBondContact O-N 2.63Å; D496-S500 PolarHBondContact O-OG 3.46Å; G497-S500 WeakPolarHBondContact O-CB 3.38Å; G497-S500 PolarHBondContact O-N 3.31Å; S500-I502 VanDerWaalsContact C-N 3.31Å; S500-I502 PolarHBondContact O-N 3.24Å; S500-G504 CarbonylContact O-C 3.6Å; S500-G504 WeakPolarHBondContact O-CA 3.37Å; S500-G504 PolarHBondContact O-N 3.46Å; S500-F505 WeakPolarHBondContact CA-O 3.26Å; S500-F505 WeakPolarHBondContact CB-O 3.39Å; S500-F505 PolarHBondContact O-N 3.32Å
501	S	93.9	Very high	91.2	Very high	68 Å²	68	45.1 Å²	45.1	48%	0.476	26%	0.256	S	S	.	.	H	α-helix	trans	-67.5	-23.9	177.8	82.9	0	0	0	0	114.9	G497 M498 L499	G497-S501 PolarHBondContact O-N 3.15Å; M498-S501 WeakPolarHBondContact O-CB 3.38Å; M498-S501 PolarHBondContact O-N 3.07Å; M498-S501 PolarHBondContact O-OG 2.87Å; L499-S501 PolarHBondContact O-N 2.88Å
502	I	94.7	Very high	90.6	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-100.7	-30.1	-179.5	-163.2	74	0	0	0	113.4	P437 L438 W440 M441 M498 L499 S500 G504 L617 P715	P437-I502 HydrophobicContact CB-CD1 3.98Å; P437-I502 HydrophobicContact CB-CG1 3.85Å; P437-I502 VanDerWaalsContact O-CD1 3.32Å; P437-I502 WeakPolarHBondContact O-CD1 3.48Å; P437-I502 VanDerWaalsContact O-CG1 3.3Å; P437-I502 WeakPolarHBondContact O-CG1 3.15Å; L438-I502 HydrophobicContact CD2-CG2 4.14Å; W440-I502 HydrophobicContact CE3-CD1 3.62Å; W440-I502 HydrophobicContact CZ3-CD1 3.8Å; M441-I502 HydrophobicContact CB-CD1 4.18Å; M441-I502 HydrophobicContact CB-CG1 4.12Å; M441-I502 HydrophobicContact CE-CB 3.98Å; M441-I502 HydrophobicContact CE-CD1 4.18Å; M441-I502 HydrophobicContact CE-CG1 4.43Å; M498-I502 PolarHBondContact O-N 3.16Å; L499-I502 VanDerWaalsContact O-CG2 3.31Å; L499-I502 WeakPolarHBondContact O-CG2 3.43Å; L499-I502 PolarHBondContact O-N 3.4Å; L499-I502 VanDerWaalsContact O-N 3.1Å; S500-I502 VanDerWaalsContact C-N 3.31Å; S500-I502 PolarHBondContact O-N 3.24Å; I502-G504 VanDerWaalsContact C-N 3.33Å; I502-L617 HydrophobicContact CG2-CD2 4.11Å; I502-P715 HydrophobicContact CD1-CB 4.06Å; I502-P715 HydrophobicContact CD1-CG 3.8Å
503	V	94.3	Very high	89.9	Confident	7 Å²	7	40.8 Å²	40.8	4%	0.042	24%	0.236	C	C	.	.	H	α-helix	trans	-76.9	-24.7	169	-54.3	0	0	0	0	111.9	L499 F505 F507 L522 F526	L499-V503 WeakPolarHBondContact O-CG2 3.39Å; L499-V503 PolarHBondContact O-N 2.59Å; V503-F505 HydrophobicContact CB-CD1 4.25Å; V503-F505 HydrophobicContact CB-CE1 3.82Å; V503-F505 HydrophobicContact CB-CZ 4.12Å; V503-F505 HydrophobicContact CG2-CD1 3.96Å; V503-F505 HydrophobicContact CG2-CD2 4.24Å; V503-F505 HydrophobicContact CG2-CE1 3.87Å; V503-F505 HydrophobicContact CG2-CE2 4.17Å; V503-F505 HydrophobicContact CG2-CG 4.14Å; V503-F505 HydrophobicContact CG2-CZ 3.99Å; V503-F505 WeakPolarHBondContact CG2-O 3.45Å; V503-F505 VanDerWaalsContact O-CD1 3.31Å; V503-F505 WeakPolarHBondContact O-CD1 3.4Å; V503-F505 WeakPolarHBondContact O-CE1 3.33Å; V503-F507 HydrophobicContact CG2-CD1 4.36Å; V503-F507 HydrophobicContact CG2-CE1 4.47Å; V503-L522 HydrophobicContact CG1-CD1 4.29Å; V503-L522 HydrophobicContact CG2-CD1 4.17Å; V503-F526 HydrophobicContact CB-CD2 3.8Å; V503-F526 HydrophobicContact CB-CE2 4.42Å; V503-F526 HydrophobicContact CG1-CD2 3.77Å; V503-F526 HydrophobicContact CG1-CE2 4.31Å
504	G	92.3	Very high	89.5	Confident	8 Å²	8	41.5 Å²	41.5	8%	0.082	24%	0.236	C	C	.	.	S	Bend	trans	93.2	1	174.8	0	0	0	0	0	115.2	S500 I502 V712 S713	S500-G504 CarbonylContact O-C 3.6Å; S500-G504 WeakPolarHBondContact O-CA 3.37Å; S500-G504 PolarHBondContact O-N 3.46Å; I502-G504 VanDerWaalsContact C-N 3.33Å; G504-V712 CarbonylContact O-C 3.59Å; G504-V712 WeakPolarHBondContact O-CA 3.49Å; G504-S713 WeakPolarHBondContact CA-O 3.2Å; G504-S713 PolarHBondContact O-N 3.39Å
505	F	91.1	Very high	89.3	Confident	8 Å²	8	41.8 Å²	41.8	4%	0.035	23%	0.233	C	C	.	.	S	Bend	trans	-143.9	153.3	-178.6	56	-88.1	0	0	0	110.8	S500 V503 L522 A525 H529 M707 L710 V712	S500-F505 WeakPolarHBondContact CA-O 3.26Å; S500-F505 WeakPolarHBondContact CB-O 3.39Å; S500-F505 PolarHBondContact O-N 3.32Å; V503-F505 HydrophobicContact CB-CD1 4.25Å; V503-F505 HydrophobicContact CB-CE1 3.82Å; V503-F505 HydrophobicContact CB-CZ 4.12Å; V503-F505 HydrophobicContact CG2-CD1 3.96Å; V503-F505 HydrophobicContact CG2-CD2 4.24Å; V503-F505 HydrophobicContact CG2-CE1 3.87Å; V503-F505 HydrophobicContact CG2-CE2 4.17Å; V503-F505 HydrophobicContact CG2-CG 4.14Å; V503-F505 HydrophobicContact CG2-CZ 3.99Å; V503-F505 WeakPolarHBondContact CG2-O 3.45Å; V503-F505 VanDerWaalsContact O-CD1 3.31Å; V503-F505 WeakPolarHBondContact O-CD1 3.4Å; V503-F505 WeakPolarHBondContact O-CE1 3.33Å; F505-L522 HydrophobicContact CE2-CD1 3.51Å; F505-L522 HydrophobicContact CZ-CD1 3.66Å; F505-A525 HydrophobicContact CE2-CB 4.33Å; F505-A525 HydrophobicContact CZ-CB 3.95Å; F505-H529 AromaticContact CE1-CD2 3.63Å; F505-M707 HydrophobicContact CD2-CB 4.48Å; F505-M707 HydrophobicContact CE2-CB 4.03Å; F505-M707 HydrophobicContact CE2-CG 4.17Å; F505-M707 HydrophobicContact CE2-SD 4.28Å; F505-L710 HydrophobicContact CB-CB 3.97Å; F505-L710 HydrophobicContact CB-CD1 4.21Å; F505-L710 HydrophobicContact CD2-CD1 4.16Å; F505-V712 HydrophobicContact CD1-CG2 4.18Å
506	S	89.1	Confident	89.2	Confident	57 Å²	57	42.5 Å²	42.5	40%	0.399	24%	0.236	S	C	.	.			trans	-80.4	140.9	179.3	-178.5	0	0	0	0	111.9	L710	S506-L710 WeakPolarHBondContact O-CD1 3.35Å
507	F	90.6	Very high	89.3	Confident	1 Å²	1	41.8 Å²	41.8	0%	0.004	23%	0.232	C	C	.	.			trans	-130.4	-0.8	173.3	61	-93.5	0	0	0	113.8	D496 L499 V503 N509 F510 L522 C633 L634 M707	D496-F507 HydrophobicContact CB-CE2 4.13Å; D496-F507 HydrophobicContact CB-CZ 4.24Å; D496-F507 WeakPolarHBondContact OD1-CE2 3.45Å; L499-F507 HydrophobicContact CB-CE1 3.75Å; L499-F507 HydrophobicContact CB-CZ 3.63Å; L499-F507 HydrophobicContact CD1-CZ 4.14Å; V503-F507 HydrophobicContact CG2-CD1 4.36Å; V503-F507 HydrophobicContact CG2-CE1 4.47Å; F507-N509 PolarHBondContact O-N 2.99Å; F507-F510 HydrophobicContact CB-CD2 4.26Å; F507-F510 WeakPolarHBondContact O-CD2 3.4Å; F507-F510 PolarHBondContact O-N 2.86Å; F507-F510 VanDerWaalsContact O-N 3.09Å; F507-L522 HydrophobicContact CB-CD1 4.42Å; F507-L522 HydrophobicContact CD1-CD1 3.83Å; F507-L522 HydrophobicContact CD1-CD2 3.78Å; F507-L522 HydrophobicContact CD1-CG 4.49Å; F507-L522 HydrophobicContact CD2-CD2 4.08Å; F507-L522 HydrophobicContact CE1-CD1 4.4Å; F507-L522 HydrophobicContact CE1-CD2 3.75Å; F507-L522 HydrophobicContact CE2-CD2 4.07Å; F507-L522 HydrophobicContact CG-CD1 4.21Å; F507-L522 HydrophobicContact CG-CD2 3.94Å; F507-L522 HydrophobicContact CZ-CD2 3.9Å; F507-C633 HydrophobicContact CD2-CB 4.34Å; F507-C633 HydrophobicContact CE2-CB 4.34Å; F507-L634 HydrophobicContact CD2-CD2 4.11Å; F507-L634 HydrophobicContact CE2-CD1 3.77Å; F507-L634 HydrophobicContact CE2-CD2 3.84Å; F507-L634 HydrophobicContact CE2-CG 3.8Å; F507-L634 HydrophobicContact CZ-CD1 3.92Å; F507-L634 HydrophobicContact CZ-CG 4.45Å; F507-M707 HydrophobicContact CB-CE 3.69Å
508	S	83.3	Confident	89.3	Confident	45 Å²	45	40.3 Å²	40.3	32%	0.315	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-19.8	-173.9	-42	0	0	0	0	114.1	F510 C633	S508-F510 VanDerWaalsContact C-N 3.26Å; S508-F510 PolarHBondContact O-N 2.94Å; S508-C633 PolarHBondContact O-SG 3.46Å
509	N	83.8	Confident	89.4	Confident	146 Å²	146	39.8 Å²	39.8	78%	0.781	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-21.2	178.3	-62.9	-6.9	0	0	0	112.8	F507 N511	F507-N509 PolarHBondContact O-N 2.99Å; N509-N511 PolarHBondContact O-N 3.03Å
510	F	81.4	Confident	89.4	Confident	30 Å²	30	39.8 Å²	39.8	13%	0.132	21%	0.214	C	C	.	.			trans	-82.5	59.1	-178.8	-61.2	-71.7	0	0	0	111.9	F507 S508 I512 V518 I703 E706 M707	F507-F510 HydrophobicContact CB-CD2 4.26Å; F507-F510 WeakPolarHBondContact O-CD2 3.4Å; F507-F510 PolarHBondContact O-N 2.86Å; F507-F510 VanDerWaalsContact O-N 3.09Å; S508-F510 VanDerWaalsContact C-N 3.26Å; S508-F510 PolarHBondContact O-N 2.94Å; F510-I512 PolarHBondContact O-N 3Å; F510-V518 HydrophobicContact CB-CG1 3.89Å; F510-V518 HydrophobicContact CB-CG2 4.1Å; F510-V518 VanDerWaalsContact O-CG2 3.27Å; F510-V518 WeakPolarHBondContact O-CG2 3.21Å; F510-I703 HydrophobicContact CD1-CG1 4.27Å; F510-I703 HydrophobicContact CD1-CG2 3.88Å; F510-I703 HydrophobicContact CD2-CG2 4.26Å; F510-I703 HydrophobicContact CE1-CG2 4.06Å; F510-I703 HydrophobicContact CE2-CG2 4.43Å; F510-I703 HydrophobicContact CG-CG2 3.99Å; F510-I703 HydrophobicContact CZ-CG2 4.33Å; F510-E706 HydrophobicContact CE1-CB 4.41Å; F510-E706 WeakPolarHBondContact CE1-OE2 3.25Å; F510-E706 HydrophobicContact CZ-CB 3.99Å; F510-M707 HydrophobicContact CD2-CE 3.48Å; F510-M707 VanDerWaalsContact CD2-CE 3.48Å; F510-M707 HydrophobicContact CD2-CG 4.47Å; F510-M707 HydrophobicContact CE2-CE 3.75Å; F510-M707 HydrophobicContact CE2-CG 3.77Å; F510-M707 HydrophobicContact CG-CE 4.26Å; F510-M707 HydrophobicContact CZ-CG 4.29Å
511	N	71.1	Confident	89.5	Confident	107 Å²	107	39 Å²	39	57%	0.572	21%	0.208	S	C	*	.			trans	-81.4	102.1	175.3	-172.9	8.6	0	0	0	110.8	N509	N509-N511 PolarHBondContact O-N 3.03Å
512	I	79	Confident	89.7	Confident	33 Å²	33	35.7 Å²	35.7	17%	0.169	19%	0.185	C	C	.	.			trans	-128.9	139.7	-174.3	-54.7	170.2	0	0	0	109	F510 R514 K515 V518 I703	F510-I512 PolarHBondContact O-N 3Å; I512-R514 CarbonylContact O-C 3.59Å; I512-R514 PolarHBondContact O-N 3.15Å; I512-K515 WeakPolarHBondContact O-CG 3.35Å; I512-K515 PolarHBondContact O-N 2.89Å; I512-V518 HydrophobicContact CB-CG2 4.5Å; I512-V518 HydrophobicContact CD1-CG2 4.1Å; I512-V518 HydrophobicContact CG1-CG2 4.48Å; I512-I703 HydrophobicContact CD1-CD1 3.49Å; I512-I703 VanDerWaalsContact CD1-CD1 3.49Å; I512-I703 HydrophobicContact CD1-CG1 4.19Å
513	E	78.9	Confident	89.8	Confident	173 Å²	173	35.6 Å²	35.6	81%	0.808	19%	0.185	S	C	*	.	S	Bend	trans	-41.1	-45.9	175.2	-176.6	-156.2	-146.5	0	0	112.3	K515	E513-K515 PolarHBondContact O-N 2.94Å
514	R	86.8	Confident	89.9	Confident	56 Å²	56	35.3 Å²	35.3	21%	0.211	18%	0.183	C	C	.	.	S	Bend	trans	-94.3	68.9	178.1	-63.4	177.6	175.1	-123.3	-16.1	111.1	I512 W516 L517	I512-R514 CarbonylContact O-C 3.59Å; I512-R514 PolarHBondContact O-N 3.15Å; R514-W516 PolarHBondContact O-N 2.6Å; R514-L517 HydrophobicContact CB-CD1 3.66Å; R514-L517 HydrophobicContact CB-CG 3.78Å; R514-L517 VanDerWaalsContact O-CB 3.31Å; R514-L517 WeakPolarHBondContact O-CB 3.31Å; R514-L517 VanDerWaalsContact O-CG 3.24Å; R514-L517 WeakPolarHBondContact O-CG 3.42Å; R514-L517 PolarHBondContact O-N 2.9Å
515	K	92.7	Very high	90.1	Very high	59 Å²	59	34.9 Å²	34.9	26%	0.257	18%	0.179	S	C	.	.	H	α-helix	trans	-44.5	-31	177.6	-60.3	-178.6	-177.2	-159.8	0	115.1	I512 E513 L517 V518 S519 N632 C633	I512-K515 WeakPolarHBondContact O-CG 3.35Å; I512-K515 PolarHBondContact O-N 2.89Å; E513-K515 PolarHBondContact O-N 2.94Å; K515-L517 PolarHBondContact O-N 3.07Å; K515-V518 WeakPolarHBondContact O-CB 3.41Å; K515-V518 PolarHBondContact O-N 3.14Å; K515-V518 VanDerWaalsContact O-N 3.1Å; K515-S519 PolarHBondContact O-N 2.71Å; K515-S519 PolarHBondContact O-OG 2.76Å; K515-N632 VanDerWaalsContact CD-O 3.23Å; K515-N632 WeakPolarHBondContact CD-O 3.5Å; K515-N632 WeakPolarHBondContact CE-O 3.19Å; K515-N632 PolarHBondContact NZ-O 2.66Å; K515-N632 PolarHBondContact NZ-OD1 3.37Å; K515-C633 WeakPolarHBondContact CB-O 3.18Å
516	W	94.9	Very high	90.3	Very high	15 Å²	15	35.3 Å²	35.3	6%	0.057	18%	0.181	C	C	.	.	H	α-helix	trans	-64.5	-23.5	177.4	70	-104.8	0	0	0	114.7	R514 V518 S519 L520 Y559 S635 L637 F642 I696	R514-W516 PolarHBondContact O-N 2.6Å; W516-V518 VanDerWaalsContact C-N 3.34Å; W516-S519 PolarHBondContact O-N 3.2Å; W516-L520 PolarHBondContact O-N 2.85Å; W516-Y559 AromaticContact CE2-CE2 3.95Å; W516-Y559 HydrophobicContact CH2-CD1 4.42Å; W516-Y559 HydrophobicContact CH2-CD2 4.26Å; W516-Y559 HydrophobicContact CH2-CG 4.06Å; W516-Y559 AromaticContact CZ2-CD1 3.91Å; W516-Y559 HydrophobicContact CZ2-CD1 3.91Å; W516-Y559 AromaticContact CZ2-CD2 3.72Å; W516-Y559 HydrophobicContact CZ2-CD2 3.72Å; W516-Y559 HydrophobicContact CZ2-CE1 4.05Å; W516-Y559 AromaticContact CZ2-CE2 3.87Å; W516-Y559 HydrophobicContact CZ2-CE2 3.87Å; W516-Y559 AromaticContact CZ2-CG 3.76Å; W516-Y559 HydrophobicContact CZ2-CG 3.76Å; W516-Y559 AromaticContact NE1-CE2 3.81Å; W516-S635 WeakPolarHBondContact CA-O 3.33Å; W516-S635 WeakPolarHBondContact CB-O 3.33Å; W516-L637 HydrophobicContact CB-CD1 4.42Å; W516-L637 HydrophobicContact CB-CG 4.16Å; W516-L637 HydrophobicContact CD2-CD1 4.17Å; W516-L637 HydrophobicContact CG-CD1 4.12Å; W516-L637 HydrophobicContact CG-CG 4.34Å; W516-F642 HydrophobicContact CB-CZ 4.27Å; W516-F642 HydrophobicContact CD2-CE1 4.35Å; W516-F642 HydrophobicContact CD2-CZ 4.1Å; W516-F642 AromaticContact CE3-CE1 3.54Å; W516-F642 HydrophobicContact CE3-CE1 3.54Å; W516-F642 AromaticContact CE3-CZ 3.38Å; W516-F642 HydrophobicContact CE3-CZ 3.38Å; W516-F642 AromaticContact CZ3-CE1 3.67Å; W516-F642 HydrophobicContact CZ3-CE1 3.67Å; W516-F642 AromaticContact CZ3-CZ 3.98Å; W516-F642 HydrophobicContact CZ3-CZ 3.98Å; W516-I696 HydrophobicContact CH2-CG2 4.32Å
517	L	95.8	Very high	90.6	Very high	3 Å²	3	33 Å²	33	2%	0.016	16%	0.163	C	C	.	.	H	α-helix	trans	-62.9	-43.8	171.8	-57.2	178.3	0	0	0	110.5	R514 K515 L520 A521 I696 V700 I703	R514-L517 HydrophobicContact CB-CD1 3.66Å; R514-L517 HydrophobicContact CB-CG 3.78Å; R514-L517 VanDerWaalsContact O-CB 3.31Å; R514-L517 WeakPolarHBondContact O-CB 3.31Å; R514-L517 VanDerWaalsContact O-CG 3.24Å; R514-L517 WeakPolarHBondContact O-CG 3.42Å; R514-L517 PolarHBondContact O-N 2.9Å; K515-L517 PolarHBondContact O-N 3.07Å; L517-L520 PolarHBondContact O-N 2.78Å; L517-A521 WeakPolarHBondContact O-CB 3.47Å; L517-A521 PolarHBondContact O-N 2.75Å; L517-I696 HydrophobicContact CD2-CG2 3.57Å; L517-V700 HydrophobicContact CB-CG2 4.05Å; L517-V700 HydrophobicContact CD2-CG2 3.51Å; L517-V700 HydrophobicContact CG-CG2 4.31Å; L517-I703 HydrophobicContact CB-CD1 4.35Å
518	V	95.5	Very high	90.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.6	-44.1	177.2	-168.3	0	0	0	0	110.1	F510 I512 K515 W516 L520 A521 L522 L634 M707	F510-V518 HydrophobicContact CB-CG1 3.89Å; F510-V518 HydrophobicContact CB-CG2 4.1Å; F510-V518 VanDerWaalsContact O-CG2 3.27Å; F510-V518 WeakPolarHBondContact O-CG2 3.21Å; I512-V518 HydrophobicContact CB-CG2 4.5Å; I512-V518 HydrophobicContact CD1-CG2 4.1Å; I512-V518 HydrophobicContact CG1-CG2 4.48Å; K515-V518 WeakPolarHBondContact O-CB 3.41Å; K515-V518 PolarHBondContact O-N 3.14Å; K515-V518 VanDerWaalsContact O-N 3.1Å; W516-V518 VanDerWaalsContact C-N 3.34Å; V518-L520 VanDerWaalsContact C-N 3.34Å; V518-L520 PolarHBondContact O-N 2.76Å; V518-A521 PolarHBondContact O-N 3.09Å; V518-L522 WeakPolarHBondContact O-CB 3.48Å; V518-L522 PolarHBondContact O-N 3.23Å; V518-L634 HydrophobicContact CB-CD2 4.39Å; V518-L634 HydrophobicContact CG1-CD2 4.04Å; V518-M707 HydrophobicContact CG1-CE 3.96Å
519	S	96.7	Very high	91	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64	-35.3	177.7	-55.1	0	0	0	0	113.5	K515 W516 T523 L634 S635	K515-S519 PolarHBondContact O-N 2.71Å; K515-S519 PolarHBondContact O-OG 2.76Å; W516-S519 PolarHBondContact O-N 3.2Å; S519-T523 WeakPolarHBondContact O-CB 3.27Å; S519-T523 PolarHBondContact O-N 3.16Å; S519-T523 PolarHBondContact O-OG1 3.22Å; S519-L634 WeakPolarHBondContact OG-CA 3.21Å; S519-L634 WeakPolarHBondContact OG-CB 3.49Å; S519-S635 WeakPolarHBondContact CB-O 3.17Å; S519-S635 PolarHBondContact OG-N 3Å; S519-S635 PolarHBondContact OG-O 2.97Å
520	L	97.4	Very high	91.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-71.7	-45	172.8	179.9	57.6	0	0	0	111.7	W516 L517 V518 T523 L524 T551 A555 F642 V700	W516-L520 PolarHBondContact O-N 2.85Å; L517-L520 PolarHBondContact O-N 2.78Å; V518-L520 VanDerWaalsContact C-N 3.34Å; V518-L520 PolarHBondContact O-N 2.76Å; L520-T523 WeakPolarHBondContact O-CB 3.16Å; L520-T523 PolarHBondContact O-N 3Å; L520-L524 HydrophobicContact CD1-CD1 4.18Å; L520-L524 HydrophobicContact CD1-CG 4.49Å; L520-L524 HydrophobicContact CG-CD1 4.14Å; L520-L524 WeakPolarHBondContact O-CG 3.44Å; L520-L524 PolarHBondContact O-N 3.42Å; L520-T551 HydrophobicContact CD1-CG2 4.42Å; L520-A555 HydrophobicContact CD2-CB 3.8Å; L520-F642 HydrophobicContact CB-CD2 4.48Å; L520-F642 HydrophobicContact CB-CE2 3.98Å; L520-F642 HydrophobicContact CB-CZ 4.37Å; L520-F642 HydrophobicContact CD1-CD2 3.99Å; L520-F642 HydrophobicContact CD1-CE2 4.34Å; L520-F642 HydrophobicContact CD1-CG 4.42Å; L520-V700 HydrophobicContact CD2-CG1 4.07Å; L520-V700 HydrophobicContact CG-CG1 4.14Å
521	A	96.7	Very high	91.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.2	-44.5	177.5	0	0	0	0	0	112.4	L517 V518 T523 L524 A525 V700 I703 A704 M707	L517-A521 WeakPolarHBondContact O-CB 3.47Å; L517-A521 PolarHBondContact O-N 2.75Å; V518-A521 PolarHBondContact O-N 3.09Å; A521-T523 VanDerWaalsContact C-N 3.34Å; A521-T523 PolarHBondContact O-N 3.07Å; A521-L524 PolarHBondContact O-N 2.71Å; A521-L524 VanDerWaalsContact O-N 3.17Å; A521-A525 WeakPolarHBondContact O-CB 3.38Å; A521-A525 PolarHBondContact O-N 2.95Å; A521-V700 HydrophobicContact CB-CG1 4.5Å; A521-I703 HydrophobicContact CB-CB 3.85Å; A521-I703 HydrophobicContact CB-CG2 3.53Å; A521-A704 HydrophobicContact CB-CB 4.03Å; A521-M707 HydrophobicContact CB-SD 4.18Å
522	L	96.7	Very high	92.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.1	-41.1	176.5	179.5	57.8	0	0	0	112.1	V503 F505 F507 V518 F526 L614 L634 M707	V503-L522 HydrophobicContact CG1-CD1 4.29Å; V503-L522 HydrophobicContact CG2-CD1 4.17Å; F505-L522 HydrophobicContact CE2-CD1 3.51Å; F505-L522 HydrophobicContact CZ-CD1 3.66Å; F507-L522 HydrophobicContact CB-CD1 4.42Å; F507-L522 HydrophobicContact CD1-CD1 3.83Å; F507-L522 HydrophobicContact CD1-CD2 3.78Å; F507-L522 HydrophobicContact CD1-CG 4.49Å; F507-L522 HydrophobicContact CD2-CD2 4.08Å; F507-L522 HydrophobicContact CE1-CD1 4.4Å; F507-L522 HydrophobicContact CE1-CD2 3.75Å; F507-L522 HydrophobicContact CE2-CD2 4.07Å; F507-L522 HydrophobicContact CG-CD1 4.21Å; F507-L522 HydrophobicContact CG-CD2 3.94Å; F507-L522 HydrophobicContact CZ-CD2 3.9Å; V518-L522 WeakPolarHBondContact O-CB 3.48Å; V518-L522 PolarHBondContact O-N 3.23Å; L522-F526 VanDerWaalsContact O-CB 3.3Å; L522-F526 WeakPolarHBondContact O-CB 3.37Å; L522-F526 PolarHBondContact O-N 2.97Å; L522-L614 HydrophobicContact CB-CD2 4.46Å; L522-L614 HydrophobicContact CD2-CD1 4.47Å; L522-L614 HydrophobicContact CD2-CD2 3.95Å; L522-L614 HydrophobicContact CG-CD2 3.94Å; L522-L634 HydrophobicContact CD2-CD1 4.08Å; L522-L634 HydrophobicContact CD2-CD2 3.78Å; L522-M707 HydrophobicContact CB-CE 4.26Å; L522-M707 HydrophobicContact CB-SD 4.18Å; L522-M707 HydrophobicContact CD1-SD 4.44Å
523	T	97.8	Very high	91.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.2	-45.8	173.7	-63.6	0	0	0	0	111.3	S519 L520 A521 W527 I607 V610 Y611	S519-T523 WeakPolarHBondContact O-CB 3.27Å; S519-T523 PolarHBondContact O-N 3.16Å; S519-T523 PolarHBondContact O-OG1 3.22Å; L520-T523 WeakPolarHBondContact O-CB 3.16Å; L520-T523 PolarHBondContact O-N 3Å; A521-T523 VanDerWaalsContact C-N 3.34Å; A521-T523 PolarHBondContact O-N 3.07Å; T523-W527 WeakPolarHBondContact O-CB 3.24Å; T523-W527 PolarHBondContact O-N 3.42Å; T523-W527 VanDerWaalsContact O-N 3.12Å; T523-I607 HydrophobicContact CG2-CG2 4Å; T523-V610 HydrophobicContact CG2-CB 4.21Å; T523-V610 HydrophobicContact CG2-CG1 3.89Å; T523-Y611 HydrophobicContact CG2-CD2 4.22Å; T523-Y611 WeakPolarHBondContact OG1-CD2 3.28Å
524	L	97.1	Very high	90.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-68.3	-44.6	-180	-71.2	164.8	0	0	0	111.7	L520 A521 W527 F528 V548 T551 V552 I607	L520-L524 HydrophobicContact CD1-CD1 4.18Å; L520-L524 HydrophobicContact CD1-CG 4.49Å; L520-L524 HydrophobicContact CG-CD1 4.14Å; L520-L524 WeakPolarHBondContact O-CG 3.44Å; L520-L524 PolarHBondContact O-N 3.42Å; A521-L524 PolarHBondContact O-N 2.71Å; A521-L524 VanDerWaalsContact O-N 3.17Å; L524-W527 PolarHBondContact O-N 2.76Å; L524-F528 WeakPolarHBondContact O-CB 3.24Å; L524-F528 PolarHBondContact O-N 3.26Å; L524-V548 HydrophobicContact CD1-CG1 4.36Å; L524-V548 HydrophobicContact CD2-CG1 4.45Å; L524-V548 HydrophobicContact CD2-CG2 4.49Å; L524-T551 HydrophobicContact CD2-CG2 4.08Å; L524-V552 HydrophobicContact CD1-CG2 3.54Å; L524-I607 HydrophobicContact CD2-CD1 4.11Å; L524-I607 HydrophobicContact CD2-CG2 4.09Å
525	A	95	Very high	88.6	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.2	-44.7	178.2	0	0	0	0	0	112.1	F505 A521 F528 H529 M707 I708	F505-A525 HydrophobicContact CE2-CB 4.33Å; F505-A525 HydrophobicContact CZ-CB 3.95Å; A521-A525 WeakPolarHBondContact O-CB 3.38Å; A521-A525 PolarHBondContact O-N 2.95Å; A525-F528 PolarHBondContact O-N 3.45Å; A525-H529 PolarHBondContact O-CD2 3.17Å; A525-H529 PolarHBondContact O-N 2.76Å; A525-M707 HydrophobicContact CB-CB 3.62Å; A525-M707 HydrophobicContact CB-SD 4.17Å; A525-I708 HydrophobicContact CB-CG2 3.81Å
526	F	95.4	Very high	86.3	Confident	17 Å²	17	33.3 Å²	33.3	8%	0.075	17%	0.168	C	C	.	.	H	α-helix	trans	-61	-48.6	175.8	177.8	-89.5	0	0	0	112.2	I434 P437 L438 V503 L522 F528 H529 A530 V610	I434-F526 VanDerWaalsContact O-CE1 3.22Å; I434-F526 WeakPolarHBondContact O-CE1 3.3Å; P437-F526 HydrophobicContact CB-CZ 4.29Å; P437-F526 HydrophobicContact CG-CZ 4.15Å; L438-F526 HydrophobicContact CD1-CE1 4.11Å; L438-F526 HydrophobicContact CD1-CZ 4.31Å; L438-F526 HydrophobicContact CD2-CE2 4.47Å; L438-F526 HydrophobicContact CD2-CZ 4.41Å; L438-F526 HydrophobicContact CG-CE1 4.32Å; L438-F526 HydrophobicContact CG-CZ 4.02Å; V503-F526 HydrophobicContact CB-CD2 3.8Å; V503-F526 HydrophobicContact CB-CE2 4.42Å; V503-F526 HydrophobicContact CG1-CD2 3.77Å; V503-F526 HydrophobicContact CG1-CE2 4.31Å; L522-F526 VanDerWaalsContact O-CB 3.3Å; L522-F526 WeakPolarHBondContact O-CB 3.37Å; L522-F526 PolarHBondContact O-N 2.97Å; F526-F528 VanDerWaalsContact C-N 3.31Å; F526-F528 PolarHBondContact O-N 3.04Å; F526-H529 PolarHBondContact O-N 2.73Å; F526-A530 PolarHBondContact O-N 2.98Å; F526-V610 HydrophobicContact CB-CG1 4.43Å; F526-V610 HydrophobicContact CD1-CB 4.36Å; F526-V610 HydrophobicContact CD1-CG1 3.48Å; F526-V610 VanDerWaalsContact CD1-CG1 3.48Å; F526-V610 HydrophobicContact CD1-CG2 3.84Å; F526-V610 HydrophobicContact CE1-CG1 4.12Å; F526-V610 HydrophobicContact CE1-CG2 3.94Å; F526-V610 HydrophobicContact CG-CG1 4.28Å
527	W	95.2	Very high	83.7	Confident	7 Å²	7	40.2 Å²	40.2	3%	0.027	21%	0.206	C	C	.	.	H	α-helix	trans	-61.4	-39.4	175.9	164.9	82.1	0	0	0	112.2	T523 L524 A530 T531 I547 V548 H603 I607 V610	T523-W527 WeakPolarHBondContact O-CB 3.24Å; T523-W527 PolarHBondContact O-N 3.42Å; T523-W527 VanDerWaalsContact O-N 3.12Å; L524-W527 PolarHBondContact O-N 2.76Å; W527-A530 PolarHBondContact O-N 3.3Å; W527-T531 HydrophobicContact CZ2-CG2 4.39Å; W527-T531 PolarHBondContact O-N 3.24Å; W527-T531 VanDerWaalsContact O-N 3.12Å; W527-T531 PolarHBondContact O-OG1 3.34Å; W527-I547 HydrophobicContact CH2-CB 4.09Å; W527-I547 HydrophobicContact CH2-CG2 3.59Å; W527-I547 HydrophobicContact CZ2-CG2 3.91Å; W527-I547 HydrophobicContact CZ3-CG2 4.2Å; W527-V548 HydrophobicContact CZ3-CG2 3.71Å; W527-H603 HydrophobicContact CZ2-CB 3.98Å; W527-H603 AromaticContact CZ2-CG 3.87Å; W527-H603 AromaticContact CZ2-ND1 3.64Å; W527-I607 HydrophobicContact CB-CG1 4.15Å; W527-I607 HydrophobicContact CD2-CD1 3.83Å; W527-I607 HydrophobicContact CD2-CG1 3.47Å; W527-I607 VanDerWaalsContact CD2-CG1 3.47Å; W527-I607 HydrophobicContact CE3-CD1 3.97Å; W527-I607 HydrophobicContact CE3-CG1 4.03Å; W527-I607 HydrophobicContact CG-CD1 4.36Å; W527-I607 HydrophobicContact CG-CG1 3.48Å; W527-I607 VanDerWaalsContact CG-CG1 3.48Å; W527-I607 HydrophobicContact CH2-CD1 4.42Å; W527-I607 HydrophobicContact CZ2-CD1 4.28Å; W527-I607 HydrophobicContact CZ3-CD1 4.26Å; W527-V610 HydrophobicContact CB-CG2 4.48Å
528	F	93.1	Very high	81.4	Confident	20 Å²	20	42.9 Å²	42.9	9%	0.088	23%	0.225	C	C	.	.	H	α-helix	trans	-66.9	-48	179.5	-173.4	-96.6	0	0	0	111.3	L524 A525 F526 A530 T531 A532 D540 L542 I708	L524-F528 WeakPolarHBondContact O-CB 3.24Å; L524-F528 PolarHBondContact O-N 3.26Å; A525-F528 PolarHBondContact O-N 3.45Å; F526-F528 VanDerWaalsContact C-N 3.31Å; F526-F528 PolarHBondContact O-N 3.04Å; F528-A530 VanDerWaalsContact C-N 3.27Å; F528-A530 PolarHBondContact O-N 3.39Å; F528-T531 PolarHBondContact O-N 3.05Å; F528-T531 VanDerWaalsContact O-N 3.1Å; F528-T531 PolarHBondContact O-OG1 3.28Å; F528-A532 HydrophobicContact CD1-CB 4.24Å; F528-A532 HydrophobicContact CE1-CB 3.92Å; F528-A532 HydrophobicContact CZ-CB 4.14Å; F528-A532 WeakPolarHBondContact O-CB 3.42Å; F528-A532 PolarHBondContact O-N 3.41Å; F528-D540 HydrophobicContact CE2-CB 4.31Å; F528-D540 HydrophobicContact CZ-CB 3.74Å; F528-D540 WeakPolarHBondContact CZ-O 3.16Å; F528-L542 HydrophobicContact CB-CD2 4.32Å; F528-L542 HydrophobicContact CD1-CD2 4.04Å; F528-L542 HydrophobicContact CD2-CD2 3.57Å; F528-L542 HydrophobicContact CE1-CD2 4.26Å; F528-L542 HydrophobicContact CE2-CD2 3.82Å; F528-L542 HydrophobicContact CG-CD2 3.69Å; F528-L542 HydrophobicContact CZ-CD2 4.16Å; F528-I708 HydrophobicContact CB-CG2 4.28Å; F528-I708 HydrophobicContact CD1-CB 4.21Å; F528-I708 HydrophobicContact CD1-CD1 4.09Å; F528-I708 HydrophobicContact CD1-CG2 3.69Å; F528-I708 HydrophobicContact CE1-CD1 3.79Å; F528-I708 HydrophobicContact CG-CG2 4.31Å
529	H	90.6	Very high	79.1	Confident	33 Å²	33	49.2 Å²	49.2	15%	0.153	26%	0.263	C	S	.	.	H	α-helix	trans	-59.4	-35.3	174.1	-74.4	-58.1	0	0	0	113.3	F505 A525 F526 T531 K533 I708 V712	F505-H529 AromaticContact CE1-CD2 3.63Å; A525-H529 PolarHBondContact O-CD2 3.17Å; A525-H529 PolarHBondContact O-N 2.76Å; F526-H529 PolarHBondContact O-N 2.73Å; H529-T531 VanDerWaalsContact C-N 3.35Å; H529-K533 WeakPolarHBondContact O-CG 3.34Å; H529-I708 PolarHBondContact CE1-O 3.42Å; H529-I708 WeakPolarHBondContact NE2-CA 3.37Å; H529-V712 WeakPolarHBondContact CE1-CG2 3.39Å; H529-V712 WeakPolarHBondContact NE2-CG2 3.44Å
530	A	90	Very high	77.3	Confident	20 Å²	20	51.8 Å²	51.8	17%	0.165	28%	0.277	C	S	.	.	H	α-helix	trans	-67.2	-35.8	176.1	0	0	0	0	0	112.4	L429 I434 F526 W527 F528	L429-A530 WeakPolarHBondContact CD1-O 3.43Å; I434-A530 HydrophobicContact CB-CB 4.42Å; I434-A530 HydrophobicContact CG1-CB 4.26Å; I434-A530 HydrophobicContact CG2-CB 3.85Å; F526-A530 PolarHBondContact O-N 2.98Å; W527-A530 PolarHBondContact O-N 3.3Å; F528-A530 VanDerWaalsContact C-N 3.27Å; F528-A530 PolarHBondContact O-N 3.39Å
531	T	87.8	Confident	76.3	Confident	47 Å²	47	53.9 Å²	53.9	29%	0.288	29%	0.288	S	S	.	.	H	α-helix	trans	-93.3	-22.5	-175.6	51.2	0	0	0	0	114.4	I434 W527 F528 H529	I434-T531 HydrophobicContact CD1-CG2 3.82Å; W527-T531 HydrophobicContact CZ2-CG2 4.39Å; W527-T531 PolarHBondContact O-N 3.24Å; W527-T531 VanDerWaalsContact O-N 3.12Å; W527-T531 PolarHBondContact O-OG1 3.34Å; F528-T531 PolarHBondContact O-N 3.05Å; F528-T531 VanDerWaalsContact O-N 3.1Å; F528-T531 PolarHBondContact O-OG1 3.28Å; H529-T531 VanDerWaalsContact C-N 3.35Å
532	A	81.8	Confident	76	Confident	26 Å²	26	53.9 Å²	53.9	22%	0.215	29%	0.288	C	S	.	.	H	α-helix	trans	-84.3	-14.5	-177	0	0	0	0	0	114.8	F528 N534 K535	F528-A532 HydrophobicContact CD1-CB 4.24Å; F528-A532 HydrophobicContact CE1-CB 3.92Å; F528-A532 HydrophobicContact CZ-CB 4.14Å; F528-A532 WeakPolarHBondContact O-CB 3.42Å; F528-A532 PolarHBondContact O-N 3.41Å; A532-N534 PolarHBondContact O-N 2.85Å; A532-K535 PolarHBondContact O-N 2.83Å
533	K	65.2	Low	75.7	Confident	136 Å²	136	56.4 Å²	56.4	59%	0.591	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-28.5	-170.7	-89.6	171.7	-178.6	-177	0	116.2	H529	H529-K533 WeakPolarHBondContact O-CG 3.34Å
534	N	51.9	Low	75.4	Confident	109 Å²	109	58.9 Å²	58.9	58%	0.583	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	4	-178.5	-65.4	-10.2	0	0	0	113.7	E428 A532	E428-N534 PolarHBondContact OE1-ND2 3.4Å; E428-N534 PolarHBondContact OE2-ND2 3.44Å; A532-N534 PolarHBondContact O-N 2.85Å
535	K	54.1	Low	75.3	Confident	114 Å²	114	59.8 Å²	59.8	50%	0.496	32%	0.321	S	S	.	.			trans	-98.5	75.1	173.2	-68.8	-172.1	179.3	-173.4	0	111.7	A532 N537 D540	A532-K535 PolarHBondContact O-N 2.83Å; K535-N537 PolarHBondContact O-N 3.5Å; K535-N537 VanDerWaalsContact O-N 3.13Å; K535-D540 WeakPolarHBondContact CD-OD2 3.23Å; K535-D540 IonicContact NZ-OD2 2.7Å; K535-D540 PolarHBondContact NZ-OD2 2.64Å
536	I	43.2	Very low	75.3	Confident	152 Å²	152	60.5 Å²	60.5	78%	0.779	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-28.2	-172.9	-65.3	169.3	0	0	0	113.9
537	N	41	Very low	75.3	Confident	161 Å²	161	60.2 Å²	60.2	86%	0.861	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.7	22.3	-167.5	-75	-31.7	0	0	0	115.4	K535	K535-N537 PolarHBondContact O-N 3.5Å; K535-N537 VanDerWaalsContact O-N 3.13Å
538	S	46.9	Very low	75.4	Confident	58 Å²	58	59.9 Å²	59.9	41%	0.406	32%	0.324	S	S	.	.			trans	-136.2	127.1	163.9	55.3	0	0	0	0	111.5	D540	S538-D540 VanDerWaalsContact CB-OD1 3.28Å; S538-D540 WeakPolarHBondContact CB-OD1 3.46Å; S538-D540 PolarHBondContact O-N 3.28Å; S538-D540 PolarHBondContact OG-OD1 3.26Å
539	V	48.5	Very low	75.6	Confident	133 Å²	133	58.9 Å²	58.9	81%	0.806	32%	0.319	S	S	*	.			trans	-70.8	83	152	-178.5	0	0	0	0	105.4	D541	V539-D541 VanDerWaalsContact C-N 3.32Å; V539-D541 PolarHBondContact O-N 3.11Å
540	D	57.2	Low	76	Confident	54 Å²	54	57.3 Å²	57.3	29%	0.289	31%	0.312	S	S	.	.			trans	-61.4	96.2	173.6	-99.1	26.7	0	0	0	107.7	F528 K535 S538 L542	F528-D540 HydrophobicContact CE2-CB 4.31Å; F528-D540 HydrophobicContact CZ-CB 3.74Å; F528-D540 WeakPolarHBondContact CZ-O 3.16Å; K535-D540 WeakPolarHBondContact CD-OD2 3.23Å; K535-D540 IonicContact NZ-OD2 2.7Å; K535-D540 PolarHBondContact NZ-OD2 2.64Å; S538-D540 VanDerWaalsContact CB-OD1 3.28Å; S538-D540 WeakPolarHBondContact CB-OD1 3.46Å; S538-D540 PolarHBondContact O-N 3.28Å; S538-D540 PolarHBondContact OG-OD1 3.26Å; D540-L542 PolarHBondContact O-N 3.42Å
541	D	77.7	Confident	76.4	Confident	44 Å²	44	56.5 Å²	56.5	24%	0.235	31%	0.305	C	S	.	.			trans	-61.5	134.9	-178.3	-159.9	-32.2	0	0	0	110.3	V539 L543 N544 S545	V539-D541 VanDerWaalsContact C-N 3.32Å; V539-D541 PolarHBondContact O-N 3.11Å; D541-L543 HydrophobicContact CB-CB 4.39Å; D541-L543 PolarHBondContact O-N 3.42Å; D541-L543 WeakPolarHBondContact OD1-CB 3.22Å; D541-L543 WeakPolarHBondContact OD1-CG 3.3Å; D541-L543 PolarHBondContact OD1-N 2.93Å; D541-N544 HydrophobicContact CB-CB 4.44Å; D541-N544 WeakPolarHBondContact O-CA 3.3Å; D541-N544 WeakPolarHBondContact O-CB 3.28Å; D541-N544 PolarHBondContact O-N 2.85Å; D541-S545 PolarHBondContact O-N 3.19Å
542	L	89.6	Confident	76.9	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-59.1	-29.1	172.6	-59.5	-176.4	0	0	0	110.8	F528 D540 N544 S545 V548 A704 I708	F528-L542 HydrophobicContact CB-CD2 4.32Å; F528-L542 HydrophobicContact CD1-CD2 4.04Å; F528-L542 HydrophobicContact CD2-CD2 3.57Å; F528-L542 HydrophobicContact CE1-CD2 4.26Å; F528-L542 HydrophobicContact CE2-CD2 3.82Å; F528-L542 HydrophobicContact CG-CD2 3.69Å; F528-L542 HydrophobicContact CZ-CD2 4.16Å; D540-L542 PolarHBondContact O-N 3.42Å; L542-N544 PolarHBondContact O-N 2.77Å; L542-S545 PolarHBondContact O-N 3.43Å; L542-V548 HydrophobicContact CB-CG1 4.3Å; L542-V548 HydrophobicContact CD2-CG2 4.14Å; L542-A704 VanDerWaalsContact CD1-C 3.43Å; L542-A704 HydrophobicContact CD1-CB 3.54Å; L542-I708 HydrophobicContact CD1-CD1 4.14Å; L542-I708 HydrophobicContact CD1-CG1 4.11Å; L542-I708 HydrophobicContact CD1-CG2 4.28Å; L542-I708 HydrophobicContact CD2-CD1 4.06Å; L542-I708 HydrophobicContact CG-CD1 3.73Å; L542-I708 HydrophobicContact CG-CG1 4.27Å
543	L	91.3	Very high	77.7	Confident	54 Å²	54	53 Å²	53	28%	0.283	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-60.2	-20.3	171.5	-59	175	0	0	0	113.4	D541 L549 Y665 I701	D541-L543 HydrophobicContact CB-CB 4.39Å; D541-L543 PolarHBondContact O-N 3.42Å; D541-L543 WeakPolarHBondContact OD1-CB 3.22Å; D541-L543 WeakPolarHBondContact OD1-CG 3.3Å; D541-L543 PolarHBondContact OD1-N 2.93Å; L543-L549 WeakPolarHBondContact O-CD1 3.06Å; L543-Y665 HydrophobicContact CB-CD2 4.48Å; L543-Y665 HydrophobicContact CB-CG 4.42Å; L543-Y665 HydrophobicContact CD2-CD1 4.15Å; L543-Y665 HydrophobicContact CD2-CD2 3.23Å; L543-Y665 HydrophobicContact CD2-CE1 4.27Å; L543-Y665 HydrophobicContact CD2-CE2 3.34Å; L543-Y665 HydrophobicContact CD2-CG 3.64Å; L543-Y665 HydrophobicContact CG-CD2 4.44Å; L543-Y665 WeakPolarHBondContact O-CB 3.41Å; L543-Y665 PolarHBondContact O-N 3.4Å; L543-I701 HydrophobicContact CD2-CG2 3.65Å
544	N	91.7	Very high	79.3	Confident	52 Å²	52	46.8 Å²	46.8	28%	0.278	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-104.1	-8.6	179.6	-73.2	-39.5	0	0	0	113.8	D541 L542 P546 P661 R664	D541-N544 HydrophobicContact CB-CB 4.44Å; D541-N544 WeakPolarHBondContact O-CA 3.3Å; D541-N544 WeakPolarHBondContact O-CB 3.28Å; D541-N544 PolarHBondContact O-N 2.85Å; L542-N544 PolarHBondContact O-N 2.77Å; N544-P546 WeakPolarHBondContact O-CD 3.31Å; N544-P661 HydrophobicContact CB-CB 4.4Å; N544-P661 WeakPolarHBondContact OD1-CB 3.37Å; N544-P661 PolarHBondContact OD1-O 2.88Å; N544-R664 WeakPolarHBondContact O-CD 3.43Å; N544-R664 PolarHBondContact O-NH1 3.34Å
545	S	93.5	Very high	81.5	Confident	19 Å²	19	41.6 Å²	41.6	13%	0.133	23%	0.227	C	C	.	.			trans	-85.8	109.1	-173.4	-179.6	0	0	0	0	112.2	D541 L542 I547 V548 L549	D541-S545 PolarHBondContact O-N 3.19Å; L542-S545 PolarHBondContact O-N 3.43Å; S545-I547 PolarHBondContact O-N 3.48Å; S545-I547 VanDerWaalsContact O-N 3.17Å; S545-V548 PolarHBondContact O-N 2.97Å; S545-V548 VanDerWaalsContact O-N 3.14Å; S545-V548 WeakPolarHBondContact OG-CG2 3.42Å; S545-L549 WeakPolarHBondContact O-CB 3.2Å; S545-L549 WeakPolarHBondContact O-CD1 3.49Å; S545-L549 WeakPolarHBondContact O-CG 3.33Å; S545-L549 PolarHBondContact O-N 3.03Å
546	P	95.6	Very high	83.5	Confident	14 Å²	14	36.2 Å²	36.2	9%	0.091	20%	0.203	C	C	.	.	H	α-helix	trans	-62.5	-28.8	-176.3	26.8	-34.8	0	0	0	112.7	N544 A550 I656 E657	N544-P546 WeakPolarHBondContact O-CD 3.31Å; P546-A550 WeakPolarHBondContact O-CB 3.24Å; P546-A550 PolarHBondContact O-N 3.41Å; P546-A550 VanDerWaalsContact O-N 3.07Å; P546-I656 HydrophobicContact CB-CB 4Å; P546-I656 HydrophobicContact CB-CG2 3.87Å; P546-E657 HydrophobicContact CB-CB 3.96Å; P546-E657 HydrophobicContact CG-CB 3.95Å; P546-E657 HydrophobicContact CG-CG 4.34Å
547	I	96	Very high	86	Confident	11 Å²	11	29 Å²	29	6%	0.056	17%	0.166	C	C	.	.	H	α-helix	trans	-62.7	-55.7	173.5	-58.9	-55.5	0	0	0	110.6	W527 S545 A550 T551 I600 H603 I607 F649 A653	W527-I547 HydrophobicContact CH2-CB 4.09Å; W527-I547 HydrophobicContact CH2-CG2 3.59Å; W527-I547 HydrophobicContact CZ2-CG2 3.91Å; W527-I547 HydrophobicContact CZ3-CG2 4.2Å; S545-I547 PolarHBondContact O-N 3.48Å; S545-I547 VanDerWaalsContact O-N 3.17Å; I547-A550 PolarHBondContact O-N 3.41Å; I547-T551 PolarHBondContact O-N 3.44Å; I547-T551 PolarHBondContact O-OG1 3.06Å; I547-I600 HydrophobicContact CD1-CB 4.33Å; I547-I600 HydrophobicContact CD1-CG1 4.01Å; I547-I600 HydrophobicContact CD1-CG2 4.19Å; I547-H603 HydrophobicContact CD1-CB 3.98Å; I547-H603 HydrophobicContact CG1-CB 4.14Å; I547-H603 HydrophobicContact CG2-CB 3.89Å; I547-I607 HydrophobicContact CG2-CD1 3.52Å; I547-F649 HydrophobicContact CB-CZ 4.45Å; I547-F649 HydrophobicContact CD1-CE1 4.34Å; I547-F649 HydrophobicContact CD1-CZ 4.03Å; I547-F649 HydrophobicContact CG2-CZ 4.01Å; I547-F649 WeakPolarHBondContact O-CE2 3.41Å; I547-A653 HydrophobicContact CD1-CB 4.43Å
548	V	96.9	Very high	88.7	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-65.5	-45.8	-175.1	177.7	0	0	0	0	110.7	L524 W527 L542 S545 A550 T551 V552	L524-V548 HydrophobicContact CD1-CG1 4.36Å; L524-V548 HydrophobicContact CD2-CG1 4.45Å; L524-V548 HydrophobicContact CD2-CG2 4.49Å; W527-V548 HydrophobicContact CZ3-CG2 3.71Å; L542-V548 HydrophobicContact CB-CG1 4.3Å; L542-V548 HydrophobicContact CD2-CG2 4.14Å; S545-V548 PolarHBondContact O-N 2.97Å; S545-V548 VanDerWaalsContact O-N 3.14Å; S545-V548 WeakPolarHBondContact OG-CG2 3.42Å; V548-A550 VanDerWaalsContact C-N 3.35Å; V548-A550 PolarHBondContact O-N 3.06Å; V548-T551 PolarHBondContact O-N 3.11Å; V548-V552 HydrophobicContact CG1-CG2 4.38Å; V548-V552 WeakPolarHBondContact O-CG2 3.43Å; V548-V552 PolarHBondContact O-N 2.88Å
549	L	98	Very high	91	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-58	-45.4	177.2	-63.5	169.2	0	0	0	111.5	L543 S545 A553 I656 R664 Y665 T668 Y697 I701	L543-L549 WeakPolarHBondContact O-CD1 3.06Å; S545-L549 WeakPolarHBondContact O-CB 3.2Å; S545-L549 WeakPolarHBondContact O-CD1 3.49Å; S545-L549 WeakPolarHBondContact O-CG 3.33Å; S545-L549 PolarHBondContact O-N 3.03Å; L549-A553 WeakPolarHBondContact O-CB 3.36Å; L549-A553 PolarHBondContact O-N 2.67Å; L549-I656 HydrophobicContact CB-CD1 4.16Å; L549-I656 HydrophobicContact CB-CG2 4.44Å; L549-I656 HydrophobicContact CD1-CG2 3.75Å; L549-R664 HydrophobicContact CD1-CB 3.57Å; L549-Y665 HydrophobicContact CD2-CD2 3.85Å; L549-T668 HydrophobicContact CB-CG2 4.16Å; L549-Y697 WeakPolarHBondContact CD2-OH 3.42Å; L549-I701 HydrophobicContact CD2-CD1 4.15Å
550	A	98.3	Very high	93.2	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65.4	-41.7	175.8	0	0	0	0	0	112.5	P546 I547 V548 I554 F649 L652 A653 I656	P546-A550 WeakPolarHBondContact O-CB 3.24Å; P546-A550 PolarHBondContact O-N 3.41Å; P546-A550 VanDerWaalsContact O-N 3.07Å; I547-A550 PolarHBondContact O-N 3.41Å; V548-A550 VanDerWaalsContact C-N 3.35Å; V548-A550 PolarHBondContact O-N 3.06Å; A550-I554 WeakPolarHBondContact O-CB 3.47Å; A550-I554 VanDerWaalsContact O-CG1 3.3Å; A550-I554 WeakPolarHBondContact O-CG1 3.43Å; A550-I554 PolarHBondContact O-N 3.11Å; A550-F649 HydrophobicContact CB-CD2 3.82Å; A550-F649 HydrophobicContact CB-CE2 3.58Å; A550-F649 HydrophobicContact CB-CZ 4.37Å; A550-L652 HydrophobicContact CB-CD2 3.95Å; A550-L652 HydrophobicContact CB-CG 4.11Å; A550-A653 HydrophobicContact CB-CB 4.12Å; A550-I656 HydrophobicContact CB-CD1 4.14Å
551	T	98.2	Very high	95	Very high	3 Å²	3	12.9 Å²	12.9	2%	0.018	7%	0.067	C	C	.	.	H	α-helix	trans	-62.6	-51.1	177.9	-61.2	0	0	0	0	111.2	L520 L524 I547 V548 I554 A555 I607 F643 F649	L520-T551 HydrophobicContact CD1-CG2 4.42Å; L524-T551 HydrophobicContact CD2-CG2 4.08Å; I547-T551 PolarHBondContact O-N 3.44Å; I547-T551 PolarHBondContact O-OG1 3.06Å; V548-T551 PolarHBondContact O-N 3.11Å; T551-I554 PolarHBondContact O-N 3.22Å; T551-A555 WeakPolarHBondContact O-CB 3.35Å; T551-A555 PolarHBondContact O-N 2.84Å; T551-I607 HydrophobicContact CG2-CG2 4.39Å; T551-F643 HydrophobicContact CG2-CE1 4.17Å; T551-F649 VanDerWaalsContact OG1-CE2 3.24Å; T551-F649 WeakPolarHBondContact OG1-CE2 3.22Å
552	V	98.3	Very high	95.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-67.3	-42.6	-178.1	-175.8	0	0	0	0	110.8	L524 V548 I554 A555 V556 Y697 V700 I701	L524-V552 HydrophobicContact CD1-CG2 3.54Å; V548-V552 HydrophobicContact CG1-CG2 4.38Å; V548-V552 WeakPolarHBondContact O-CG2 3.43Å; V548-V552 PolarHBondContact O-N 2.88Å; V552-I554 VanDerWaalsContact C-N 3.34Å; V552-I554 PolarHBondContact O-N 3.1Å; V552-A555 PolarHBondContact O-N 3.37Å; V552-V556 HydrophobicContact CG1-CG2 3.81Å; V552-V556 VanDerWaalsContact O-CB 3.27Å; V552-V556 WeakPolarHBondContact O-CB 3.3Å; V552-V556 VanDerWaalsContact O-CG2 3.3Å; V552-V556 WeakPolarHBondContact O-CG2 3.33Å; V552-V556 PolarHBondContact O-N 3.21Å; V552-Y697 HydrophobicContact CB-CD2 4.1Å; V552-Y697 HydrophobicContact CB-CE2 4.12Å; V552-Y697 HydrophobicContact CG1-CD2 3.64Å; V552-Y697 HydrophobicContact CG1-CE2 4.15Å; V552-Y697 HydrophobicContact CG1-CG 4.29Å; V552-V700 HydrophobicContact CG1-CB 3.82Å; V552-V700 HydrophobicContact CG1-CG1 3.8Å; V552-V700 HydrophobicContact CG1-CG2 4.48Å; V552-V700 HydrophobicContact CG2-CG1 3.82Å; V552-I701 HydrophobicContact CB-CD1 4.38Å; V552-I701 HydrophobicContact CB-CG1 4.3Å; V552-I701 HydrophobicContact CG1-CD1 4.4Å; V552-I701 HydrophobicContact CG1-CG1 4.21Å; V552-I701 HydrophobicContact CG2-CG1 4.05Å
553	A	98.3	Very high	95.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-60	-43.3	179	0	0	0	0	0	112.2	L549 T557 T668 L673 L676 Y697	L549-A553 WeakPolarHBondContact O-CB 3.36Å; L549-A553 PolarHBondContact O-N 2.67Å; A553-T557 WeakPolarHBondContact O-CB 3.37Å; A553-T557 WeakPolarHBondContact O-CG2 3.29Å; A553-T557 PolarHBondContact O-N 3.49Å; A553-T557 PolarHBondContact O-OG1 3.41Å; A553-T668 HydrophobicContact CB-CG2 3.79Å; A553-L673 HydrophobicContact CB-CD1 3.94Å; A553-L676 HydrophobicContact CB-CD1 3.71Å; A553-Y697 HydrophobicContact CB-CD2 4.22Å; A553-Y697 HydrophobicContact CB-CE2 3.79Å
554	I	98.5	Very high	95.5	Very high	5 Å²	5	18.9 Å²	18.9	3%	0.026	10%	0.095	C	C	.	.	H	α-helix	trans	-70.8	-49.2	177.7	-69.2	169.9	0	0	0	110.6	A550 T551 V552 V556 T557 N558 P644 L648 F649 L652 L676	A550-I554 WeakPolarHBondContact O-CB 3.47Å; A550-I554 VanDerWaalsContact O-CG1 3.3Å; A550-I554 WeakPolarHBondContact O-CG1 3.43Å; A550-I554 PolarHBondContact O-N 3.11Å; T551-I554 PolarHBondContact O-N 3.22Å; V552-I554 VanDerWaalsContact C-N 3.34Å; V552-I554 PolarHBondContact O-N 3.1Å; I554-V556 PolarHBondContact O-N 2.89Å; I554-T557 PolarHBondContact O-N 3.29Å; I554-T557 PolarHBondContact O-OG1 3.23Å; I554-N558 WeakPolarHBondContact O-CB 3.32Å; I554-N558 PolarHBondContact O-N 2.86Å; I554-P644 HydrophobicContact CG2-CG 3.44Å; I554-P644 VanDerWaalsContact CG2-CG 3.44Å; I554-L648 HydrophobicContact CD1-CB 4.45Å; I554-L648 HydrophobicContact CD1-CD2 4.04Å; I554-L648 HydrophobicContact CD1-CG 3.88Å; I554-L648 HydrophobicContact CG1-CD2 4.05Å; I554-L648 HydrophobicContact CG1-CG 4.35Å; I554-L648 HydrophobicContact CG2-CD2 4.32Å; I554-F649 VanDerWaalsContact CD1-CA 3.45Å; I554-F649 HydrophobicContact CD1-CB 3.9Å; I554-F649 HydrophobicContact CD1-CD2 4.29Å; I554-L652 HydrophobicContact CD1-CD2 3.82Å; I554-L652 HydrophobicContact CG1-CD2 3.83Å; I554-L676 HydrophobicContact CG1-CD1 4.5Å; I554-L676 HydrophobicContact CG1-CD2 4.19Å
555	A	98	Very high	95.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-60.1	-44.6	-178	0	0	0	0	0	112.7	L520 T551 V552 Y559 F642	L520-A555 HydrophobicContact CD2-CB 3.8Å; T551-A555 WeakPolarHBondContact O-CB 3.35Å; T551-A555 PolarHBondContact O-N 2.84Å; V552-A555 PolarHBondContact O-N 3.37Å; A555-Y559 PolarHBondContact O-N 3.07Å; A555-F642 HydrophobicContact CB-CB 3.95Å; A555-F642 HydrophobicContact CB-CD1 3.75Å; A555-F642 HydrophobicContact CB-CG 4.05Å
556	V	96.6	Very high	95.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-70.5	-42.8	-179	172.1	0	0	0	0	111.5	V552 I554 F560 L693 I696 V700	V552-V556 HydrophobicContact CG1-CG2 3.81Å; V552-V556 VanDerWaalsContact O-CB 3.27Å; V552-V556 WeakPolarHBondContact O-CB 3.3Å; V552-V556 VanDerWaalsContact O-CG2 3.3Å; V552-V556 WeakPolarHBondContact O-CG2 3.33Å; V552-V556 PolarHBondContact O-N 3.21Å; I554-V556 PolarHBondContact O-N 2.89Å; V556-F560 WeakPolarHBondContact O-CD2 3.4Å; V556-L693 HydrophobicContact CG1-CD2 3.74Å; V556-L693 VanDerWaalsContact O-CD2 3.27Å; V556-L693 WeakPolarHBondContact O-CD2 3.44Å; V556-I696 HydrophobicContact CB-CG2 4.43Å; V556-I696 HydrophobicContact CG1-CB 4.06Å; V556-I696 HydrophobicContact CG1-CG2 3.65Å; V556-I696 HydrophobicContact CG2-CG2 3.9Å; V556-V700 HydrophobicContact CG2-CG2 4.42Å
557	T	96.9	Very high	95.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-72.5	-37	177.1	55.9	0	0	0	0	113	A553 I554 Y559 F560 N561 L673 L676 L693	A553-T557 WeakPolarHBondContact O-CB 3.37Å; A553-T557 WeakPolarHBondContact O-CG2 3.29Å; A553-T557 PolarHBondContact O-N 3.49Å; A553-T557 PolarHBondContact O-OG1 3.41Å; I554-T557 PolarHBondContact O-N 3.29Å; I554-T557 PolarHBondContact O-OG1 3.23Å; T557-Y559 PolarHBondContact O-N 3.46Å; T557-F560 PolarHBondContact O-N 2.84Å; T557-N561 WeakPolarHBondContact O-CB 3.37Å; T557-N561 PolarHBondContact O-N 3.45Å; T557-N561 PolarHBondContact O-ND2 3.31Å; T557-L673 HydrophobicContact CG2-CD1 3.58Å; T557-L673 HydrophobicContact CG2-CG 3.8Å; T557-L676 HydrophobicContact CG2-CB 3.9Å; T557-L676 WeakPolarHBondContact OG1-CB 3.34Å; T557-L693 HydrophobicContact CG2-CD2 4.11Å
558	N	97.4	Very high	95.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64.1	-40.2	179.4	-168.8	58.2	0	0	0	111.8	I554 F560 N561 V562 Y573 W640 I641 P644	I554-N558 WeakPolarHBondContact O-CB 3.32Å; I554-N558 PolarHBondContact O-N 2.86Å; N558-F560 VanDerWaalsContact C-N 3.3Å; N558-F560 PolarHBondContact O-N 3.07Å; N558-N561 PolarHBondContact O-N 3.4Å; N558-N561 VanDerWaalsContact O-N 3.12Å; N558-V562 WeakPolarHBondContact O-CG1 3.34Å; N558-V562 WeakPolarHBondContact O-CG2 3.12Å; N558-V562 PolarHBondContact O-N 3.42Å; N558-V562 WeakPolarHBondContact OD1-CG1 3.42Å; N558-Y573 WeakPolarHBondContact CA-OH 3.33Å; N558-Y573 VanDerWaalsContact CB-OH 3.29Å; N558-Y573 WeakPolarHBondContact CB-OH 3.46Å; N558-Y573 WeakPolarHBondContact OD1-CE2 3.29Å; N558-Y573 PolarHBondContact OD1-OH 2.74Å; N558-W640 PolarHBondContact ND2-O 3.44Å; N558-I641 WeakPolarHBondContact CB-O 3.43Å; N558-I641 WeakPolarHBondContact ND2-CA 3.48Å; N558-I641 PolarHBondContact ND2-O 3.46Å; N558-P644 HydrophobicContact CB-CG 4.05Å
559	Y	94.9	Very high	95.4	Very high	45 Å²	45	26.5 Å²	26.5	18%	0.176	13%	0.127	C	C	.	.	H	α-helix	trans	-49.8	-47.7	173.4	175.2	-89.7	0	0	0	112.5	W516 A555 T557 M563 L637 I641	W516-Y559 AromaticContact CE2-CE2 3.95Å; W516-Y559 HydrophobicContact CH2-CD1 4.42Å; W516-Y559 HydrophobicContact CH2-CD2 4.26Å; W516-Y559 HydrophobicContact CH2-CG 4.06Å; W516-Y559 AromaticContact CZ2-CD1 3.91Å; W516-Y559 HydrophobicContact CZ2-CD1 3.91Å; W516-Y559 AromaticContact CZ2-CD2 3.72Å; W516-Y559 HydrophobicContact CZ2-CD2 3.72Å; W516-Y559 HydrophobicContact CZ2-CE1 4.05Å; W516-Y559 AromaticContact CZ2-CE2 3.87Å; W516-Y559 HydrophobicContact CZ2-CE2 3.87Å; W516-Y559 AromaticContact CZ2-CG 3.76Å; W516-Y559 HydrophobicContact CZ2-CG 3.76Å; W516-Y559 AromaticContact NE1-CE2 3.81Å; A555-Y559 PolarHBondContact O-N 3.07Å; T557-Y559 PolarHBondContact O-N 3.46Å; Y559-M563 HydrophobicContact CD1-SD 4.36Å; Y559-M563 HydrophobicContact CE1-SD 3.78Å; Y559-M563 WeakPolarHBondContact O-CG 3.08Å; Y559-L637 HydrophobicContact CD2-CD1 3.75Å; Y559-L637 HydrophobicContact CE2-CD1 3.99Å; Y559-I641 HydrophobicContact CD2-CG2 4.3Å
560	F	93.5	Very high	95.4	Very high	23 Å²	23	28.3 Å²	28.3	10%	0.101	14%	0.137	C	C	.	.	H	α-helix	trans	-75.8	-36.6	177	-74.4	-100.4	0	0	0	112.9	V556 T557 N558 Y677 K692 L693 I696	V556-F560 WeakPolarHBondContact O-CD2 3.4Å; T557-F560 PolarHBondContact O-N 2.84Å; N558-F560 VanDerWaalsContact C-N 3.3Å; N558-F560 PolarHBondContact O-N 3.07Å; F560-Y677 HydrophobicContact CB-CD2 4.34Å; F560-Y677 HydrophobicContact CB-CE2 3.99Å; F560-K692 HydrophobicContact CZ-CG 4.3Å; F560-L693 HydrophobicContact CB-CD2 4.2Å; F560-L693 HydrophobicContact CD2-CD2 3.23Å; F560-L693 HydrophobicContact CD2-CG 3.87Å; F560-L693 HydrophobicContact CE2-CD2 3.68Å; F560-L693 HydrophobicContact CE2-CG 4.09Å; F560-L693 HydrophobicContact CG-CD2 3.86Å; F560-L693 HydrophobicContact CG-CG 4.17Å; F560-I696 HydrophobicContact CE2-CD1 3.77Å; F560-I696 HydrophobicContact CZ-CD1 3.75Å
561	N	95.4	Very high	95.3	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.5	-45.6	-179.6	-78.3	-19.9	0	0	0	112.7	T557 N558 E564 S565 T569 Y573 L676 Y677 R678	T557-N561 WeakPolarHBondContact O-CB 3.37Å; T557-N561 PolarHBondContact O-N 3.45Å; T557-N561 PolarHBondContact O-ND2 3.31Å; N558-N561 PolarHBondContact O-N 3.4Å; N558-N561 VanDerWaalsContact O-N 3.12Å; N561-E564 PolarHBondContact O-N 2.84Å; N561-S565 PolarHBondContact O-N 3.32Å; N561-S565 VanDerWaalsContact O-N 3.09Å; N561-T569 HydrophobicContact CB-CG2 3.55Å; N561-T569 WeakPolarHBondContact CB-OG1 3.34Å; N561-T569 PolarHBondContact O-OG1 2.79Å; N561-Y573 PolarHBondContact ND2-OH 2.81Å; N561-L676 PolarHBondContact ND2-O 3.44Å; N561-Y677 WeakPolarHBondContact OD1-CD2 3.37Å; N561-R678 PolarHBondContact O-NH2 2.86Å; N561-R678 WeakPolarHBondContact OD1-CB 3.48Å; N561-R678 PolarHBondContact OD1-N 2.94Å
562	V	93.3	Very high	95.2	Very high	22 Å²	22	36.7 Å²	36.7	13%	0.133	18%	0.176	C	C	.	.	H	α-helix	trans	-77.4	-25.7	-176.3	-55.4	0	0	0	0	113	L53 N558 E564 D566 T569 W640	L53-V562 HydrophobicContact CD1-CG1 3.79Å; L53-V562 HydrophobicContact CD2-CG1 4.33Å; N558-V562 WeakPolarHBondContact O-CG1 3.34Å; N558-V562 WeakPolarHBondContact O-CG2 3.12Å; N558-V562 PolarHBondContact O-N 3.42Å; N558-V562 WeakPolarHBondContact OD1-CG1 3.42Å; V562-E564 PolarHBondContact O-N 2.9Å; V562-D566 HydrophobicContact CB-CB 4.37Å; V562-D566 HydrophobicContact CG1-CB 4.4Å; V562-T569 HydrophobicContact CG1-CG2 4.44Å; V562-W640 HydrophobicContact CB-CZ3 4.14Å; V562-W640 HydrophobicContact CG1-CZ3 4.13Å; V562-W640 HydrophobicContact CG2-CH2 4.48Å; V562-W640 HydrophobicContact CG2-CZ3 4Å
563	M	89	Confident	95.2	Very high	137 Å²	137	37 Å²	37	68%	0.675	18%	0.177	S	C	*	.	H	α-helix	trans	-62.9	-20.5	168.8	-77.6	-174.9	74.1	0	0	113.2	Y559	Y559-M563 HydrophobicContact CD1-SD 4.36Å; Y559-M563 HydrophobicContact CE1-SD 3.78Å; Y559-M563 WeakPolarHBondContact O-CG 3.08Å
564	E	87.7	Confident	95.2	Very high	65 Å²	65	38.2 Å²	38.2	30%	0.304	19%	0.19	S	C	.	.	H	α-helix	trans	-98.9	-39.8	176.4	-73.5	178.2	-167.9	0	0	113.1	N561 V562 Y677 R678 K689	N561-E564 PolarHBondContact O-N 2.84Å; V562-E564 PolarHBondContact O-N 2.9Å; E564-Y677 PolarHBondContact OE1-OH 3.33Å; E564-R678 IonicContact OE2-CZ 2.93Å; E564-R678 IonicContact OE2-NH1 2.88Å; E564-R678 PolarHBondContact OE2-NH1 2.84Å; E564-R678 IonicContact OE2-NH2 2.59Å; E564-R678 PolarHBondContact OE2-NH2 2.98Å; E564-K689 IonicContact OE1-NZ 3.75Å; E564-K689 PolarHBondContact OE1-NZ 2.85Å
565	S	91.6	Very high	95.1	Very high	19 Å²	19	42.3 Å²	42.3	13%	0.133	22%	0.215	C	C	.	.			trans	-176.7	121.2	172.6	171.3	0	0	0	0	109.4	N561 K568 T569	N561-S565 PolarHBondContact O-N 3.32Å; N561-S565 VanDerWaalsContact O-N 3.09Å; S565-K568 PolarHBondContact OG-N 3.37Å; S565-K568 VanDerWaalsContact OG-N 3.15Å; S565-T569 WeakPolarHBondContact O-CB 3.16Å; S565-T569 PolarHBondContact O-N 2.87Å; S565-T569 PolarHBondContact O-OG1 2.81Å
566	D	92.3	Very high	95.1	Very high	28 Å²	28	43 Å²	43	15%	0.15	22%	0.219	C	C	.	.	H	α-helix	trans	-69.7	-45.3	172.5	46.4	13.8	0	0	0	111.5	L53 V57 K60 V562 K568 T569 V570	L53-D566 HydrophobicContact CD1-CB 4.03Å; V57-D566 HydrophobicContact CG2-CB 3.69Å; K60-D566 WeakPolarHBondContact CD-OD2 3.32Å; K60-D566 IonicContact NZ-OD2 2.78Å; K60-D566 PolarHBondContact NZ-OD2 3.19Å; V562-D566 HydrophobicContact CB-CB 4.37Å; V562-D566 HydrophobicContact CG1-CB 4.4Å; D566-K568 PolarHBondContact O-N 2.98Å; D566-T569 WeakPolarHBondContact O-CA 3.41Å; D566-T569 WeakPolarHBondContact O-CB 3.44Å; D566-T569 PolarHBondContact O-N 2.96Å; D566-T569 VanDerWaalsContact O-N 3.07Å; D566-V570 PolarHBondContact O-N 2.62Å; D566-V570 VanDerWaalsContact O-N 3.07Å
567	E	94.5	Very high	95.1	Very high	90 Å²	90	43.8 Å²	43.8	42%	0.421	22%	0.223	S	C	.	.	H	α-helix	trans	-49.3	-58.6	174.7	-66.3	-176.2	147.2	0	0	113.8	V57 Q61 T569 V570 E571	V57-E567 HydrophobicContact CG1-CB 4.47Å; V57-E567 HydrophobicContact CG1-CG 3.81Å; Q61-E567 PolarHBondContact NE2-OE1 3.03Å; E567-T569 PolarHBondContact O-N 3.27Å; E567-T569 VanDerWaalsContact O-N 3.15Å; E567-V570 WeakPolarHBondContact O-CB 3.36Å; E567-V570 PolarHBondContact O-N 3.25Å; E567-V570 VanDerWaalsContact O-N 3.09Å; E567-E571 PolarHBondContact O-N 3.37Å
568	K	96.2	Very high	95.1	Very high	120 Å²	120	50.7 Å²	50.7	52%	0.522	25%	0.253	S	S	.	.	H	α-helix	trans	-66.5	-19.4	-178.2	-67.1	167.3	-176	160.6	0	112.3	S565 D566 H572 R678	S565-K568 PolarHBondContact OG-N 3.37Å; S565-K568 VanDerWaalsContact OG-N 3.15Å; D566-K568 PolarHBondContact O-N 2.98Å; K568-H572 VanDerWaalsContact O-CB 3.31Å; K568-H572 WeakPolarHBondContact O-CB 3.38Å; K568-H572 PolarHBondContact O-N 2.71Å; K568-R678 WeakPolarHBondContact O-CD 3.41Å
569	T	96.9	Very high	95	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-78.4	-35.1	176	-58.8	0	0	0	0	111.4	L53 N561 V562 S565 D566 E567 H572 Y573 R678	L53-T569 HydrophobicContact CD2-CG2 3.72Å; N561-T569 HydrophobicContact CB-CG2 3.55Å; N561-T569 WeakPolarHBondContact CB-OG1 3.34Å; N561-T569 PolarHBondContact O-OG1 2.79Å; V562-T569 HydrophobicContact CG1-CG2 4.44Å; S565-T569 WeakPolarHBondContact O-CB 3.16Å; S565-T569 PolarHBondContact O-N 2.87Å; S565-T569 PolarHBondContact O-OG1 2.81Å; D566-T569 WeakPolarHBondContact O-CA 3.41Å; D566-T569 WeakPolarHBondContact O-CB 3.44Å; D566-T569 PolarHBondContact O-N 2.96Å; D566-T569 VanDerWaalsContact O-N 3.07Å; E567-T569 PolarHBondContact O-N 3.27Å; E567-T569 VanDerWaalsContact O-N 3.15Å; T569-H572 PolarHBondContact O-N 2.93Å; T569-Y573 HydrophobicContact CG2-CD1 4.49Å; T569-Y573 HydrophobicContact CG2-CD2 3.92Å; T569-Y573 HydrophobicContact CG2-CE1 4.18Å; T569-Y573 HydrophobicContact CG2-CE2 3.53Å; T569-Y573 HydrophobicContact CG2-CG 4.4Å; T569-Y573 WeakPolarHBondContact O-CB 3.24Å; T569-Y573 VanDerWaalsContact O-CG 3.28Å; T569-Y573 PolarHBondContact O-N 2.93Å; T569-R678 PolarHBondContact OG1-NE 3.23Å
570	V	96.9	Very high	95.1	Very high	37 Å²	37	53.2 Å²	53.2	22%	0.224	27%	0.265	C	S	.	.	H	α-helix	trans	-60.3	-45.8	168.4	176.8	0	0	0	0	110.8	L53 V57 D566 E567 G574	L53-V570 HydrophobicContact CD2-CG2 4.04Å; L53-V570 HydrophobicContact CG-CG2 3.76Å; V57-V570 HydrophobicContact CB-CG2 4.26Å; V57-V570 HydrophobicContact CG2-CG2 3.85Å; D566-V570 PolarHBondContact O-N 2.62Å; D566-V570 VanDerWaalsContact O-N 3.07Å; E567-V570 WeakPolarHBondContact O-CB 3.36Å; E567-V570 PolarHBondContact O-N 3.25Å; E567-V570 VanDerWaalsContact O-N 3.09Å; V570-G574 PolarHBondContact O-N 2.89Å
571	E	96.4	Very high	95	Very high	140 Å²	140	55.6 Å²	55.6	65%	0.654	28%	0.276	S	S	*	.	H	α-helix	trans	-59.4	-50	176.3	-62.5	-174.1	141.2	0	0	112	E567 G574 V575	E567-E571 PolarHBondContact O-N 3.37Å; E571-G574 CarbonylContact O-C 3.52Å; E571-G574 WeakPolarHBondContact O-CA 3.44Å; E571-G574 PolarHBondContact O-N 3.34Å; E571-G574 VanDerWaalsContact O-N 3.14Å; E571-V575 PolarHBondContact O-N 3.01Å
572	H	97.3	Very high	94.8	Very high	40 Å²	40	61.9 Å²	61.9	19%	0.185	30%	0.304	C	S	.	.	H	α-helix	trans	-58.6	-48.7	179.2	178.3	62.5	0	0	0	112.2	K568 T569 G574 V575 L576 R675 L676 R678	K568-H572 VanDerWaalsContact O-CB 3.31Å; K568-H572 WeakPolarHBondContact O-CB 3.38Å; K568-H572 PolarHBondContact O-N 2.71Å; T569-H572 PolarHBondContact O-N 2.93Å; H572-G574 VanDerWaalsContact C-N 3.3Å; H572-G574 PolarHBondContact O-N 3.1Å; H572-V575 WeakPolarHBondContact O-CB 3.4Å; H572-V575 PolarHBondContact O-N 3.3Å; H572-L576 PolarHBondContact O-N 3.29Å; H572-R675 PolarHBondContact CE1-O 2.96Å; H572-R675 PolarHBondContact NE2-O 3.26Å; H572-L676 PolarHBondContact NE2-O 2.86Å; H572-R678 HydrophobicContact CB-CB 4.39Å; H572-R678 HydrophobicContact CB-CG 3.87Å
573	Y	97.9	Very high	94.7	Very high	6 Å²	6	63.2 Å²	63.2	2%	0.024	31%	0.308	C	S	.	.	H	α-helix	trans	-64.2	-35.3	175.2	-67.6	-14.6	0	0	0	112.1	L53 N558 N561 T569 V575 L576 I577 P644 L648	L53-Y573 HydrophobicContact CD2-CD2 4.02Å; L53-Y573 HydrophobicContact CD2-CE2 4.01Å; N558-Y573 WeakPolarHBondContact CA-OH 3.33Å; N558-Y573 VanDerWaalsContact CB-OH 3.29Å; N558-Y573 WeakPolarHBondContact CB-OH 3.46Å; N558-Y573 WeakPolarHBondContact OD1-CE2 3.29Å; N558-Y573 PolarHBondContact OD1-OH 2.74Å; N561-Y573 PolarHBondContact ND2-OH 2.81Å; T569-Y573 HydrophobicContact CG2-CD1 4.49Å; T569-Y573 HydrophobicContact CG2-CD2 3.92Å; T569-Y573 HydrophobicContact CG2-CE1 4.18Å; T569-Y573 HydrophobicContact CG2-CE2 3.53Å; T569-Y573 HydrophobicContact CG2-CG 4.4Å; T569-Y573 WeakPolarHBondContact O-CB 3.24Å; T569-Y573 VanDerWaalsContact O-CG 3.28Å; T569-Y573 PolarHBondContact O-N 2.93Å; Y573-V575 VanDerWaalsContact C-N 3.25Å; Y573-V575 PolarHBondContact O-N 2.74Å; Y573-L576 HydrophobicContact CD1-CD1 4.07Å; Y573-L576 PolarHBondContact O-N 2.95Å; Y573-I577 WeakPolarHBondContact O-CB 3.39Å; Y573-I577 WeakPolarHBondContact O-CD1 3.4Å; Y573-I577 VanDerWaalsContact O-CG1 3.25Å; Y573-I577 WeakPolarHBondContact O-CG1 3.33Å; Y573-I577 PolarHBondContact O-N 3.12Å; Y573-P644 HydrophobicContact CE2-CB 4.15Å; Y573-P644 HydrophobicContact CE2-CG 4Å; Y573-L648 HydrophobicContact CD1-CD2 3.68Å; Y573-L648 HydrophobicContact CD2-CD2 3.81Å; Y573-L648 HydrophobicContact CE1-CD2 3.82Å; Y573-L648 HydrophobicContact CE2-CD2 3.97Å; Y573-L648 HydrophobicContact CG-CD2 3.66Å
574	G	97	Very high	94.6	Very high	25 Å²	25	58.4 Å²	58.4	26%	0.258	29%	0.285	S	S	.	.	H	α-helix	trans	-60.9	-29	170.3	0	0	0	0	0	114.2	V570 E571 H572 K578	V570-G574 PolarHBondContact O-N 2.89Å; E571-G574 CarbonylContact O-C 3.52Å; E571-G574 WeakPolarHBondContact O-CA 3.44Å; E571-G574 PolarHBondContact O-N 3.34Å; E571-G574 VanDerWaalsContact O-N 3.14Å; H572-G574 VanDerWaalsContact C-N 3.3Å; H572-G574 PolarHBondContact O-N 3.1Å; G574-K578 WeakPolarHBondContact O-CD 3.37Å; G574-K578 WeakPolarHBondContact O-CE 3.27Å; G574-K578 VanDerWaalsContact O-CG 3.23Å; G574-K578 WeakPolarHBondContact O-CG 3.22Å
575	V	97.4	Very high	94.5	Very high	92 Å²	92	57.8 Å²	57.8	56%	0.558	29%	0.287	S	S	*	.	H	α-helix	trans	-77.5	-45.9	171.6	175	0	0	0	0	111.2	E571 H572 Y573 I577 K578 F579	E571-V575 PolarHBondContact O-N 3.01Å; H572-V575 WeakPolarHBondContact O-CB 3.4Å; H572-V575 PolarHBondContact O-N 3.3Å; Y573-V575 VanDerWaalsContact C-N 3.25Å; Y573-V575 PolarHBondContact O-N 2.74Å; V575-I577 PolarHBondContact O-N 3.12Å; V575-K578 PolarHBondContact O-N 2.9Å; V575-F579 PolarHBondContact O-N 2.96Å
576	L	97.8	Very high	94.2	Very high	15 Å²	15	62.1 Å²	62.1	8%	0.079	31%	0.309	C	S	.	.	H	α-helix	trans	-61.6	-41.3	178.9	-64.9	-178.6	0	0	0	112.6	H572 Y573 K578 F579 L580 L648 R675 L676	H572-L576 PolarHBondContact O-N 3.29Å; Y573-L576 HydrophobicContact CD1-CD1 4.07Å; Y573-L576 PolarHBondContact O-N 2.95Å; L576-K578 PolarHBondContact O-N 3.41Å; L576-F579 PolarHBondContact O-N 3.17Å; L576-L580 WeakPolarHBondContact O-CB 3.31Å; L576-L580 WeakPolarHBondContact O-CG 3.34Å; L576-L580 PolarHBondContact O-N 3.41Å; L576-L648 HydrophobicContact CB-CD1 4.03Å; L576-L648 HydrophobicContact CD1-CD1 4.42Å; L576-R675 WeakPolarHBondContact CD1-O 3.47Å; L576-R675 HydrophobicContact CD2-CB 4.42Å; L576-L676 HydrophobicContact CD1-CD2 3.95Å
577	I	96.8	Very high	93.7	Very high	16 Å²	16	65.9 Å²	65.9	8%	0.082	32%	0.321	C	S	.	.	H	α-helix	trans	-57.9	-48.3	174.4	-74.4	165.7	0	0	0	110.4	Y573 V575 F579 L580 Q581 H647 L648	Y573-I577 WeakPolarHBondContact O-CB 3.39Å; Y573-I577 WeakPolarHBondContact O-CD1 3.4Å; Y573-I577 VanDerWaalsContact O-CG1 3.25Å; Y573-I577 WeakPolarHBondContact O-CG1 3.33Å; Y573-I577 PolarHBondContact O-N 3.12Å; V575-I577 PolarHBondContact O-N 3.12Å; I577-F579 VanDerWaalsContact C-N 3.31Å; I577-F579 PolarHBondContact O-N 2.84Å; I577-L580 PolarHBondContact O-N 3.22Å; I577-Q581 HydrophobicContact CG2-CG 4.36Å; I577-Q581 WeakPolarHBondContact O-CB 3.31Å; I577-Q581 VanDerWaalsContact O-CG 3.29Å; I577-Q581 WeakPolarHBondContact O-CG 3.4Å; I577-Q581 PolarHBondContact O-N 3.28Å; I577-H647 HydrophobicContact CD1-CB 4.15Å; I577-H647 WeakPolarHBondContact CG2-CE1 3.49Å; I577-L648 HydrophobicContact CD1-CB 4.14Å; I577-L648 HydrophobicContact CG1-CB 4.12Å; I577-L648 HydrophobicContact CG1-CD1 4.12Å
578	K	96.3	Very high	92.9	Very high	144 Å²	144	64.7 Å²	64.7	63%	0.626	32%	0.317	S	S	*	.	H	α-helix	trans	-61.9	-38.9	178	-69.2	164.9	-168.8	167.2	0	111.9	G574 V575 L576 K582	G574-K578 WeakPolarHBondContact O-CD 3.37Å; G574-K578 WeakPolarHBondContact O-CE 3.27Å; G574-K578 VanDerWaalsContact O-CG 3.23Å; G574-K578 WeakPolarHBondContact O-CG 3.22Å; V575-K578 PolarHBondContact O-N 2.9Å; L576-K578 PolarHBondContact O-N 3.41Å; K578-K582 WeakPolarHBondContact O-CB 3.4Å; K578-K582 PolarHBondContact O-N 3.23Å
579	F	96.6	Very high	91.2	Very high	91 Å²	91	64.9 Å²	64.9	40%	0.399	33%	0.333	S	S	.	.	H	α-helix	trans	-65.1	-47.8	175.8	173.9	-106.9	0	0	0	112.3	V575 L576 I577 K582 K583 W672	V575-F579 PolarHBondContact O-N 2.96Å; L576-F579 PolarHBondContact O-N 3.17Å; I577-F579 VanDerWaalsContact C-N 3.31Å; I577-F579 PolarHBondContact O-N 2.84Å; F579-K582 PolarHBondContact O-N 2.86Å; F579-K583 WeakPolarHBondContact O-CB 3.48Å; F579-K583 PolarHBondContact O-N 2.94Å; F579-W672 AromaticContact CD1-CH2 3.88Å; F579-W672 HydrophobicContact CD1-CH2 3.88Å; F579-W672 HydrophobicContact CD1-CZ3 4.38Å; F579-W672 AromaticContact CE1-CH2 3.65Å; F579-W672 HydrophobicContact CE1-CH2 3.65Å; F579-W672 HydrophobicContact CE1-CZ3 4.31Å
580	L	95.5	Very high	89.3	Confident	7 Å²	7	68.3 Å²	68.3	4%	0.037	36%	0.357	C	S	.	.	H	α-helix	trans	-62.7	-45.7	176.8	-76.7	160.3	0	0	0	111.9	L576 I577 K582 K583 L584 L648 L652 D655 W672	L576-L580 WeakPolarHBondContact O-CB 3.31Å; L576-L580 WeakPolarHBondContact O-CG 3.34Å; L576-L580 PolarHBondContact O-N 3.41Å; I577-L580 PolarHBondContact O-N 3.22Å; L580-K582 VanDerWaalsContact C-N 3.31Å; L580-K582 PolarHBondContact O-N 3.23Å; L580-K583 PolarHBondContact O-N 3.09Å; L580-L584 WeakPolarHBondContact O-CB 3.41Å; L580-L584 PolarHBondContact O-N 2.87Å; L580-L648 HydrophobicContact CD1-CD1 4.39Å; L580-L652 HydrophobicContact CD1-CB 4.37Å; L580-D655 HydrophobicContact CD2-CB 3.76Å; L580-W672 HydrophobicContact CD1-CH2 4.42Å; L580-W672 HydrophobicContact CD2-CH2 3.32Å; L580-W672 HydrophobicContact CD2-CZ2 3.42Å; L580-W672 VanDerWaalsContact CD2-CZ2 3.42Å; L580-W672 HydrophobicContact CD2-CZ3 4.21Å; L580-W672 HydrophobicContact CG-CH2 3.81Å; L580-W672 HydrophobicContact CG-CZ2 4.39Å; L580-W672 HydrophobicContact CG-CZ3 4.39Å
581	Q	91.5	Very high	87	Confident	73 Å²	73	72.9 Å²	72.9	34%	0.341	39%	0.391	S	S	.	.	H	α-helix	trans	-58.5	-41.6	174.9	-77.4	-174.7	-18.2	0	0	112.2	I577 L584 S585 H647	I577-Q581 HydrophobicContact CG2-CG 4.36Å; I577-Q581 WeakPolarHBondContact O-CB 3.31Å; I577-Q581 VanDerWaalsContact O-CG 3.29Å; I577-Q581 WeakPolarHBondContact O-CG 3.4Å; I577-Q581 PolarHBondContact O-N 3.28Å; Q581-L584 PolarHBondContact O-N 2.94Å; Q581-S585 WeakPolarHBondContact O-CB 3.29Å; Q581-S585 PolarHBondContact O-N 2.82Å; Q581-S585 PolarHBondContact O-OG 3.17Å; Q581-H647 PolarHBondContact NE2-CE1 3.27Å; Q581-H647 PolarHBondContact NE2-NE2 2.87Å
582	K	91.9	Very high	84.8	Confident	132 Å²	132	69.5 Å²	69.5	57%	0.574	38%	0.383	S	S	*	.	H	α-helix	trans	-63.7	-51.3	174.2	-173.8	-175	171.9	-172.5	0	110.7	K578 F579 L580 L584 S585 D586	K578-K582 WeakPolarHBondContact O-CB 3.4Å; K578-K582 PolarHBondContact O-N 3.23Å; F579-K582 PolarHBondContact O-N 2.86Å; L580-K582 VanDerWaalsContact C-N 3.31Å; L580-K582 PolarHBondContact O-N 3.23Å; K582-L584 PolarHBondContact O-N 3.5Å; K582-S585 CarbonylContact O-C 3.54Å; K582-S585 WeakPolarHBondContact O-CA 3.33Å; K582-S585 WeakPolarHBondContact O-CB 3.32Å; K582-S585 PolarHBondContact O-N 2.75Å; K582-D586 VanDerWaalsContact CE-OD2 3.22Å; K582-D586 WeakPolarHBondContact CE-OD2 3.3Å; K582-D586 VanDerWaalsContact O-CG 3.25Å; K582-D586 PolarHBondContact O-N 2.99Å
583	K	90.6	Very high	82.7	Confident	51 Å²	51	72.2 Å²	72.2	22%	0.222	41%	0.406	C	S	.	.	H	α-helix	trans	-56	-34	178.3	-172.3	-175.8	179.7	-167.8	0	112.8	F579 L580 R587 D655	F579-K583 WeakPolarHBondContact O-CB 3.48Å; F579-K583 PolarHBondContact O-N 2.94Å; L580-K583 PolarHBondContact O-N 3.09Å; K583-R587 WeakPolarHBondContact O-CG 3.36Å; K583-D655 WeakPolarHBondContact CD-OD1 3.5Å; K583-D655 WeakPolarHBondContact CE-OD1 3.36Å; K583-D655 IonicContact NZ-OD1 3.2Å; K583-D655 PolarHBondContact NZ-OD1 3.02Å; K583-D655 IonicContact NZ-OD2 2.59Å; K583-D655 PolarHBondContact NZ-OD2 3.34Å
584	L	86.8	Confident	80.9	Confident	36 Å²	36	76 Å²	76	19%	0.188	43%	0.427	C	S	.	.	H	α-helix	trans	-74.3	-41.5	173.9	-175.6	57.4	0	0	0	112.3	L580 Q581 K582 R587 I588 L594 I654	L580-L584 WeakPolarHBondContact O-CB 3.41Å; L580-L584 PolarHBondContact O-N 2.87Å; Q581-L584 PolarHBondContact O-N 2.94Å; K582-L584 PolarHBondContact O-N 3.5Å; L584-R587 PolarHBondContact O-N 3.32Å; L584-I588 HydrophobicContact CD1-CD1 3.86Å; L584-I588 HydrophobicContact CD1-CG1 4.43Å; L584-I588 HydrophobicContact CG-CD1 3.98Å; L584-I588 WeakPolarHBondContact O-CG1 3.26Å; L584-I588 PolarHBondContact O-N 3.11Å; L584-L594 HydrophobicContact CB-CD2 4.39Å; L584-L594 HydrophobicContact CD2-CD2 3.82Å; L584-L594 HydrophobicContact CG-CD2 3.91Å; L584-I654 HydrophobicContact CD1-CG2 3.68Å; L584-I654 HydrophobicContact CD2-CD1 4.13Å; L584-I654 HydrophobicContact CD2-CG2 4.02Å; L584-I654 HydrophobicContact CG-CG2 4.48Å
585	S	86.6	Confident	79.7	Confident	51 Å²	51	79.7 Å²	79.7	36%	0.357	45%	0.448	S	S	.	.	H	α-helix	trans	-64	-42.7	176	-54.7	0	0	0	0	112	Q581 K582 R587 I588	Q581-S585 WeakPolarHBondContact O-CB 3.29Å; Q581-S585 PolarHBondContact O-N 2.82Å; Q581-S585 PolarHBondContact O-OG 3.17Å; K582-S585 CarbonylContact O-C 3.54Å; K582-S585 WeakPolarHBondContact O-CA 3.33Å; K582-S585 WeakPolarHBondContact O-CB 3.32Å; K582-S585 PolarHBondContact O-N 2.75Å; S585-R587 PolarHBondContact O-N 2.97Å; S585-I588 PolarHBondContact O-N 3.34Å; S585-I588 VanDerWaalsContact O-N 3.13Å
586	D	85.2	Confident	78.8	Confident	111 Å²	111	77 Å²	77	59%	0.594	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.7	178.3	-64.7	-16.5	0	0	0	112.6	K582	K582-D586 VanDerWaalsContact CE-OD2 3.22Å; K582-D586 WeakPolarHBondContact CE-OD2 3.3Å; K582-D586 VanDerWaalsContact O-CG 3.25Å; K582-D586 PolarHBondContact O-N 2.99Å
587	R	81.3	Confident	78.2	Confident	107 Å²	107	78.9 Å²	78.9	40%	0.404	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-30.9	173.1	-76	168.8	166.2	154.1	-10.7	113.5	K583 L584 S585 S589 D655 S658	K583-R587 WeakPolarHBondContact O-CG 3.36Å; L584-R587 PolarHBondContact O-N 3.32Å; S585-R587 PolarHBondContact O-N 2.97Å; R587-S589 PolarHBondContact O-N 3.45Å; R587-D655 IonicContact CZ-OD1 3.7Å; R587-D655 IonicContact NH1-OD1 2.71Å; R587-D655 PolarHBondContact NH1-OD1 3.46Å; R587-D655 IonicContact NH2-OD1 2.62Å; R587-D655 PolarHBondContact NH2-OD1 2.85Å; R587-S658 VanDerWaalsContact CZ-OG 3.22Å; R587-S658 PolarHBondContact NH1-OG 2.83Å; R587-S658 PolarHBondContact NH2-OG 3.17Å
588	I	77.3	Confident	77.7	Confident	64 Å²	64	80 Å²	80	33%	0.328	45%	0.451	S	S	.	.			trans	-93.7	81.4	-175.6	-58.3	169.8	0	0	0	108.2	L584 S585 S590 S592	L584-I588 HydrophobicContact CD1-CD1 3.86Å; L584-I588 HydrophobicContact CD1-CG1 4.43Å; L584-I588 HydrophobicContact CG-CD1 3.98Å; L584-I588 WeakPolarHBondContact O-CG1 3.26Å; L584-I588 PolarHBondContact O-N 3.11Å; S585-I588 PolarHBondContact O-N 3.34Å; S585-I588 VanDerWaalsContact O-N 3.13Å; I588-S590 PolarHBondContact O-N 2.99Å; I588-S592 WeakPolarHBondContact CG2-OG 3.29Å
589	S	61.8	Low	77.3	Confident	124 Å²	124	74.6 Å²	74.6	87%	0.867	43%	0.432	S	S	*	.			trans	-64.8	-7.6	179.3	-49.9	0	0	0	0	114.5	R587	R587-S589 PolarHBondContact O-N 3.45Å
590	S	55.9	Low	77.1	Confident	72 Å²	72	70.5 Å²	70.5	50%	0.503	41%	0.414	S	S	.	.	S	Bend	trans	-94.9	143.3	179.1	50.5	0	0	0	0	112.4	I588 S592	I588-S590 PolarHBondContact O-N 2.99Å; S590-S592 PolarHBondContact O-N 3.45Å; S590-S592 PolarHBondContact O-OG 3.46Å; S590-S592 PolarHBondContact OG-OG 3.15Å
591	S	48.2	Very low	76.9	Confident	134 Å²	134	70.2 Å²	70.2	94%	0.937	41%	0.413	S	S	*	.			trans	-69.1	13.4	178.7	51.1	0	0	0	0	115.5	S593	S591-S593 PolarHBondContact O-N 3.34Å
592	S	51.3	Low	76.9	Confident	68 Å²	68	66.8 Å²	66.8	48%	0.476	40%	0.397	S	S	.	.			trans	-58.2	112	163.8	45.2	0	0	0	0	110.1	I588 S590	I588-S592 WeakPolarHBondContact CG2-OG 3.29Å; S590-S592 PolarHBondContact O-N 3.45Å; S590-S592 PolarHBondContact O-OG 3.46Å; S590-S592 PolarHBondContact OG-OG 3.15Å
593	S	52.5	Low	77	Confident	97 Å²	97	62.3 Å²	62.3	68%	0.678	38%	0.377	S	S	*	.			trans	-54.4	140.3	175.9	56.2	0	0	0	0	111.5	S591 S595	S591-S593 PolarHBondContact O-N 3.34Å; S593-S595 VanDerWaalsContact C-N 3.28Å; S593-S595 PolarHBondContact O-N 3.38Å
594	L	60.5	Low	77.2	Confident	87 Å²	87	60 Å²	60	46%	0.455	37%	0.368	S	S	.	.			trans	-62.8	86	174	-68.2	97.1	0	0	0	111.2	L584	L584-L594 HydrophobicContact CB-CD2 4.39Å; L584-L594 HydrophobicContact CD2-CD2 3.82Å; L584-L594 HydrophobicContact CG-CD2 3.91Å
595	S	72.3	Confident	77.5	Confident	101 Å²	101	58.8 Å²	58.8	71%	0.706	36%	0.362	S	S	*	.			trans	-64	140.7	166.1	43.1	0	0	0	0	109	S593 D597	S593-S595 VanDerWaalsContact C-N 3.28Å; S593-S595 PolarHBondContact O-N 3.38Å; S595-D597 PolarHBondContact O-N 3.09Å
596	V	79	Confident	77.8	Confident	36 Å²	36	56.4 Å²	56.4	22%	0.218	35%	0.345	C	S	.	.			trans	-73.5	119.3	170	-178.2	0	0	0	0	107.1	K47 Y48 S598 V601	K47-V596 HydrophobicContact CD-CG2 3.63Å; K47-V596 HydrophobicContact CG-CG2 4.06Å; Y48-V596 HydrophobicContact CD1-CG1 3.68Å; Y48-V596 HydrophobicContact CD1-CG2 4.18Å; Y48-V596 HydrophobicContact CE1-CB 4.22Å; Y48-V596 HydrophobicContact CE1-CG1 3.68Å; Y48-V596 HydrophobicContact CE1-CG2 3.49Å; Y48-V596 VanDerWaalsContact CE1-CG2 3.49Å; V596-S598 PolarHBondContact O-N 3.48Å; V596-S598 VanDerWaalsContact O-N 3.07Å; V596-V601 HydrophobicContact CG1-CG2 3.6Å
597	D	84.1	Confident	78.4	Confident	55 Å²	55	51.1 Å²	51.1	29%	0.294	32%	0.316	S	S	.	.			trans	-62.3	113.5	169.2	173.3	35.5	0	0	0	110.2	S595 S599 I600 V601 H650	S595-D597 PolarHBondContact O-N 3.09Å; D597-S599 PolarHBondContact O-N 2.93Å; D597-S599 VanDerWaalsContact OD1-CB 3.27Å; D597-S599 WeakPolarHBondContact OD1-CB 3.32Å; D597-S599 PolarHBondContact OD1-N 3.22Å; D597-S599 WeakPolarHBondContact OD2-CB 3.34Å; D597-S599 PolarHBondContact OD2-N 3.21Å; D597-I600 VanDerWaalsContact OD2-CG1 3.27Å; D597-I600 WeakPolarHBondContact OD2-CG1 3.4Å; D597-I600 PolarHBondContact OD2-N 3.15Å; D597-V601 PolarHBondContact O-N 3.35Å; D597-H650 PolarHBondContact N-NE2 3.05Å; D597-H650 PolarHBondContact O-NE2 2.59Å
598	S	85.7	Confident	79	Confident	38 Å²	38	46 Å²	46	27%	0.266	30%	0.297	S	S	.	.	H	α-helix	trans	-67.9	-19.3	176.5	61.7	0	0	0	0	113.6	N424 V596 H602	N424-S598 WeakPolarHBondContact CB-OG 3.33Å; V596-S598 PolarHBondContact O-N 3.48Å; V596-S598 VanDerWaalsContact O-N 3.07Å; S598-H602 WeakPolarHBondContact O-CB 3.44Å; S598-H602 PolarHBondContact O-N 3.22Å
599	S	88.9	Confident	79.9	Confident	32 Å²	32	43 Å²	43	22%	0.224	28%	0.282	C	S	.	.	H	α-helix	trans	-67.6	-53.8	178.9	-146.6	0	0	0	0	110.7	D597 V601 H602 H603	D597-S599 PolarHBondContact O-N 2.93Å; D597-S599 VanDerWaalsContact OD1-CB 3.27Å; D597-S599 WeakPolarHBondContact OD1-CB 3.32Å; D597-S599 PolarHBondContact OD1-N 3.22Å; D597-S599 WeakPolarHBondContact OD2-CB 3.34Å; D597-S599 PolarHBondContact OD2-N 3.21Å; S599-V601 VanDerWaalsContact C-N 3.35Å; S599-V601 PolarHBondContact O-N 3.31Å; S599-H602 WeakPolarHBondContact O-CB 3.5Å; S599-H602 PolarHBondContact O-N 3.26Å; S599-H603 PolarHBondContact O-CD2 3.3Å; S599-H603 VanDerWaalsContact O-CD2 3.24Å; S599-H603 PolarHBondContact O-N 2.76Å
600	I	92	Very high	81.5	Confident	5 Å²	5	37.1 Å²	37.1	3%	0.026	24%	0.241	C	C	.	.	H	α-helix	trans	-61.6	-40.4	176.4	-69.1	166.9	0	0	0	111.7	I547 D597 H603 F604 F649 H650 A653 I654	I547-I600 HydrophobicContact CD1-CB 4.33Å; I547-I600 HydrophobicContact CD1-CG1 4.01Å; I547-I600 HydrophobicContact CD1-CG2 4.19Å; D597-I600 VanDerWaalsContact OD2-CG1 3.27Å; D597-I600 WeakPolarHBondContact OD2-CG1 3.4Å; D597-I600 PolarHBondContact OD2-N 3.15Å; I600-H603 PolarHBondContact O-N 3.06Å; I600-F604 PolarHBondContact O-N 3.5Å; I600-F649 HydrophobicContact CG2-CD1 4.13Å; I600-F649 HydrophobicContact CG2-CE1 3.64Å; I600-H650 HydrophobicContact CG2-CB 4.42Å; I600-A653 HydrophobicContact CD1-CB 4.29Å; I600-A653 HydrophobicContact CG2-CB 3.7Å; I600-I654 HydrophobicContact CD1-CB 4.5Å; I600-I654 HydrophobicContact CD1-CD1 4.32Å; I600-I654 HydrophobicContact CD1-CG1 3.4Å
601	V	91.4	Very high	83.5	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.006	22%	0.217	C	C	.	.	H	α-helix	trans	-69.9	-34.8	177.6	-178.8	0	0	0	0	112.5	Y48 I422 V596 D597 S599 T605	Y48-V601 HydrophobicContact CD1-CG2 4.45Å; I422-V601 HydrophobicContact CB-CG1 3.8Å; I422-V601 HydrophobicContact CD1-CG1 4.26Å; I422-V601 HydrophobicContact CG2-CB 4.16Å; I422-V601 HydrophobicContact CG2-CG1 3.58Å; V596-V601 HydrophobicContact CG1-CG2 3.6Å; D597-V601 PolarHBondContact O-N 3.35Å; S599-V601 VanDerWaalsContact C-N 3.35Å; S599-V601 PolarHBondContact O-N 3.31Å; V601-T605 WeakPolarHBondContact O-CB 3.44Å; V601-T605 PolarHBondContact O-N 3.12Å; V601-T605 PolarHBondContact O-OG1 3.24Å
602	H	92.1	Very high	85.8	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-60	-47.6	170.6	164.3	83.3	0	0	0	111	N424 I427 L429 S598 S599 T605 S606	N424-H602 HydrophobicContact CB-CB 4.46Å; I427-H602 HydrophobicContact CD1-CB 4.08Å; I427-H602 WeakPolarHBondContact CD1-CD2 3.31Å; L429-H602 PolarHBondContact O-CE1 3.2Å; S598-H602 WeakPolarHBondContact O-CB 3.44Å; S598-H602 PolarHBondContact O-N 3.22Å; S599-H602 WeakPolarHBondContact O-CB 3.5Å; S599-H602 PolarHBondContact O-N 3.26Å; H602-T605 PolarHBondContact O-N 3.29Å; H602-S606 PolarHBondContact CE1-OG 3.01Å; H602-S606 VanDerWaalsContact CE1-OG 3.23Å; H602-S606 PolarHBondContact NE2-OG 3.38Å; H602-S606 WeakPolarHBondContact O-CB 3.44Å; H602-S606 PolarHBondContact O-N 3.23Å; H602-S606 PolarHBondContact O-OG 2.91Å
603	H	93.7	Very high	88	Confident	37 Å²	37	24.7 Å²	24.7	17%	0.171	15%	0.152	C	C	.	.	H	α-helix	trans	-64	-42.8	-179.7	-65.7	-45.5	0	0	0	112	W527 I547 S599 I600 T605 S606 I607	W527-H603 HydrophobicContact CZ2-CB 3.98Å; W527-H603 AromaticContact CZ2-CG 3.87Å; W527-H603 AromaticContact CZ2-ND1 3.64Å; I547-H603 HydrophobicContact CD1-CB 3.98Å; I547-H603 HydrophobicContact CG1-CB 4.14Å; I547-H603 HydrophobicContact CG2-CB 3.89Å; S599-H603 PolarHBondContact O-CD2 3.3Å; S599-H603 VanDerWaalsContact O-CD2 3.24Å; S599-H603 PolarHBondContact O-N 2.76Å; I600-H603 PolarHBondContact O-N 3.06Å; H603-T605 VanDerWaalsContact C-N 3.34Å; H603-T605 PolarHBondContact O-N 3.36Å; H603-S606 PolarHBondContact O-N 3.4Å; H603-I607 WeakPolarHBondContact O-CG1 3.17Å; H603-I607 PolarHBondContact O-N 3.36Å
604	F	94.5	Very high	90.1	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.018	12%	0.121	C	C	.	.	H	α-helix	trans	-53.5	-50.1	171.6	177.3	-107.7	0	0	0	112.2	Y52 I600 S606 I607 H608 F643 G646 F649	Y52-F604 HydrophobicContact CE2-CE1 4.35Å; Y52-F604 HydrophobicContact CE2-CZ 4.44Å; I600-F604 PolarHBondContact O-N 3.5Å; F604-S606 PolarHBondContact O-N 2.87Å; F604-I607 PolarHBondContact O-N 2.97Å; F604-H608 WeakPolarHBondContact O-CB 3.26Å; F604-H608 PolarHBondContact O-N 2.92Å; F604-F643 HydrophobicContact CD2-CD1 4.39Å; F604-F643 HydrophobicContact CE2-CB 4.05Å; F604-F643 AromaticContact CE2-CD1 3.88Å; F604-F643 HydrophobicContact CE2-CD1 3.88Å; F604-F643 HydrophobicContact CE2-CG 4.42Å; F604-F643 HydrophobicContact CZ-CB 3.93Å; F604-F643 HydrophobicContact CZ-CD1 4.47Å; F604-G646 VanDerWaalsContact CZ-CA 3.47Å; F604-F649 HydrophobicContact CB-CD1 3.62Å; F604-F649 HydrophobicContact CB-CE1 3.63Å; F604-F649 HydrophobicContact CB-CG 4.43Å; F604-F649 HydrophobicContact CB-CZ 4.44Å; F604-F649 HydrophobicContact CD2-CB 3.87Å; F604-F649 AromaticContact CD2-CD1 3.59Å; F604-F649 HydrophobicContact CD2-CD1 3.59Å; F604-F649 HydrophobicContact CD2-CD2 4.08Å; F604-F649 HydrophobicContact CD2-CE1 4.21Å; F604-F649 AromaticContact CD2-CG 3.53Å; F604-F649 HydrophobicContact CD2-CG 3.53Å; F604-F649 HydrophobicContact CE2-CB 4.02Å; F604-F649 HydrophobicContact CE2-CG 4.15Å; F604-F649 AromaticContact CG-CD1 3.87Å; F604-F649 HydrophobicContact CG-CD1 3.87Å; F604-F649 HydrophobicContact CG-CE1 4.34Å; F604-F649 HydrophobicContact CG-CG 4.28Å
605	T	92.8	Very high	91.9	Very high	10 Å²	10	16.6 Å²	16.6	6%	0.061	10%	0.101	C	C	.	.	H	α-helix	trans	-67.7	-37.8	-177.5	-54.7	0	0	0	0	111	L421 V601 H602 H603 T609	L421-T605 HydrophobicContact CB-CG2 4.18Å; L421-T605 HydrophobicContact CD1-CG2 3.98Å; L421-T605 HydrophobicContact CD2-CG2 4.03Å; L421-T605 HydrophobicContact CG-CG2 4.28Å; V601-T605 WeakPolarHBondContact O-CB 3.44Å; V601-T605 PolarHBondContact O-N 3.12Å; V601-T605 PolarHBondContact O-OG1 3.24Å; H602-T605 PolarHBondContact O-N 3.29Å; H603-T605 VanDerWaalsContact C-N 3.34Å; H603-T605 PolarHBondContact O-N 3.36Å; T605-T609 VanDerWaalsContact O-CB 3.24Å; T605-T609 WeakPolarHBondContact O-CB 3.3Å; T605-T609 PolarHBondContact O-N 2.93Å; T605-T609 PolarHBondContact O-OG1 2.82Å
606	S	94.2	Very high	93.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-64.2	-47.2	176.5	-60.6	0	0	0	0	112.4	A431 H602 H603 F604 T609 V610	A431-S606 WeakPolarHBondContact CA-OG 3.4Å; A431-S606 WeakPolarHBondContact CB-OG 3.38Å; H602-S606 PolarHBondContact CE1-OG 3.01Å; H602-S606 VanDerWaalsContact CE1-OG 3.23Å; H602-S606 PolarHBondContact NE2-OG 3.38Å; H602-S606 WeakPolarHBondContact O-CB 3.44Å; H602-S606 PolarHBondContact O-N 3.23Å; H602-S606 PolarHBondContact O-OG 2.91Å; H603-S606 PolarHBondContact O-N 3.4Å; F604-S606 PolarHBondContact O-N 2.87Å; S606-T609 PolarHBondContact O-N 3.34Å; S606-V610 WeakPolarHBondContact O-CG2 3.21Å; S606-V610 PolarHBondContact O-N 3.44Å
607	I	96.3	Very high	94	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-62.6	-44.9	177.5	-65.3	165.6	0	0	0	110.6	T523 L524 W527 I547 T551 H603 F604 T609 V610 Y611 F643	T523-I607 HydrophobicContact CG2-CG2 4Å; L524-I607 HydrophobicContact CD2-CD1 4.11Å; L524-I607 HydrophobicContact CD2-CG2 4.09Å; W527-I607 HydrophobicContact CB-CG1 4.15Å; W527-I607 HydrophobicContact CD2-CD1 3.83Å; W527-I607 HydrophobicContact CD2-CG1 3.47Å; W527-I607 VanDerWaalsContact CD2-CG1 3.47Å; W527-I607 HydrophobicContact CE3-CD1 3.97Å; W527-I607 HydrophobicContact CE3-CG1 4.03Å; W527-I607 HydrophobicContact CG-CD1 4.36Å; W527-I607 HydrophobicContact CG-CG1 3.48Å; W527-I607 VanDerWaalsContact CG-CG1 3.48Å; W527-I607 HydrophobicContact CH2-CD1 4.42Å; W527-I607 HydrophobicContact CZ2-CD1 4.28Å; W527-I607 HydrophobicContact CZ3-CD1 4.26Å; I547-I607 HydrophobicContact CG2-CD1 3.52Å; T551-I607 HydrophobicContact CG2-CG2 4.39Å; H603-I607 WeakPolarHBondContact O-CG1 3.17Å; H603-I607 PolarHBondContact O-N 3.36Å; F604-I607 PolarHBondContact O-N 2.97Å; I607-T609 VanDerWaalsContact C-N 3.3Å; I607-T609 PolarHBondContact O-N 3.17Å; I607-V610 PolarHBondContact O-N 2.94Å; I607-Y611 PolarHBondContact O-N 2.88Å; I607-F643 HydrophobicContact CG2-CE1 3.84Å; I607-F643 HydrophobicContact CG2-CZ 3.95Å
608	H	95.3	Very high	94.7	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.005	4%	0.044	C	C	.	.	H	α-helix	trans	-64.3	-34.9	176.9	-170.2	-175.8	0	0	0	112.1	Y52 F121 M125 F604 Y611 N612 S639 F643	Y52-H608 AromaticContact CE2-CE1 3.62Å; Y52-H608 AromaticContact CE2-ND1 3.79Å; Y52-H608 AromaticContact CZ-CE1 3.73Å; F121-H608 AromaticContact CD2-CE1 3.32Å; F121-H608 WeakPolarHBondContact CD2-CE1 3.47Å; F121-H608 AromaticContact CD2-CG 3.98Å; F121-H608 AromaticContact CD2-ND1 3.5Å; F121-H608 WeakPolarHBondContact CD2-ND1 3.33Å; F121-H608 AromaticContact CD2-NE2 3.68Å; F121-H608 HydrophobicContact CE2-CB 4.32Å; F121-H608 AromaticContact CE2-CE1 3.9Å; F121-H608 AromaticContact CE2-CG 3.75Å; F121-H608 AromaticContact CE2-ND1 3.64Å; M125-H608 VanDerWaalsContact CE-CE1 3.48Å; M125-H608 WeakPolarHBondContact CE-CE1 3.15Å; M125-H608 WeakPolarHBondContact CE-NE2 3.42Å; F604-H608 WeakPolarHBondContact O-CB 3.26Å; F604-H608 PolarHBondContact O-N 2.92Å; H608-Y611 PolarHBondContact O-N 3.38Å; H608-N612 PolarHBondContact CD2-ND2 3.39Å; H608-N612 PolarHBondContact NE2-ND2 3.5Å; H608-N612 VanDerWaalsContact NE2-ND2 3.11Å; H608-N612 PolarHBondContact O-N 3.29Å; H608-N612 VanDerWaalsContact O-N 3.11Å; H608-N612 PolarHBondContact O-ND2 2.75Å; H608-S639 WeakPolarHBondContact NE2-CB 3.21Å; H608-F643 HydrophobicContact CB-CD1 4.09Å; H608-F643 HydrophobicContact CB-CD2 4.02Å; H608-F643 HydrophobicContact CB-CE1 4.17Å; H608-F643 HydrophobicContact CB-CE2 4.12Å; H608-F643 HydrophobicContact CB-CG 4.02Å; H608-F643 HydrophobicContact CB-CZ 4.2Å; H608-F643 AromaticContact CD2-CD2 3.23Å; H608-F643 WeakPolarHBondContact CD2-CD2 3.29Å; H608-F643 AromaticContact CD2-CE2 3.62Å; H608-F643 AromaticContact CD2-CG 3.89Å; H608-F643 AromaticContact CG-CD2 3.56Å; H608-F643 AromaticContact CG-CG 3.74Å; H608-F643 AromaticContact NE2-CD2 3.71Å
609	T	94.8	Very high	95.3	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.006	4%	0.042	C	C	.	.	H	α-helix	trans	-68.2	-44.6	176.1	-59.5	0	0	0	0	111.6	S435 T605 S606 I607 N612 Y613	S435-T609 WeakPolarHBondContact OG-CG2 3.47Å; T605-T609 VanDerWaalsContact O-CB 3.24Å; T605-T609 WeakPolarHBondContact O-CB 3.3Å; T605-T609 PolarHBondContact O-N 2.93Å; T605-T609 PolarHBondContact O-OG1 2.82Å; S606-T609 PolarHBondContact O-N 3.34Å; I607-T609 VanDerWaalsContact C-N 3.3Å; I607-T609 PolarHBondContact O-N 3.17Å; T609-N612 PolarHBondContact O-N 3.33Å; T609-Y613 HydrophobicContact CG2-CD2 3.71Å; T609-Y613 HydrophobicContact CG2-CE2 3.44Å; T609-Y613 VanDerWaalsContact CG2-CE2 3.44Å; T609-Y613 VanDerWaalsContact O-CD2 3.24Å; T609-Y613 WeakPolarHBondContact O-CD2 3.27Å; T609-Y613 PolarHBondContact O-N 3.31Å; T609-Y613 VanDerWaalsContact O-N 3.11Å
610	V	96.8	Very high	95.7	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-57.9	-47.9	171.8	171.1	0	0	0	0	110.6	I434 L438 T523 F526 W527 S606 I607 N612 Y613 L614	I434-V610 HydrophobicContact CG2-CG2 3.78Å; L438-V610 HydrophobicContact CD1-CG1 4.13Å; T523-V610 HydrophobicContact CG2-CB 4.21Å; T523-V610 HydrophobicContact CG2-CG1 3.89Å; F526-V610 HydrophobicContact CB-CG1 4.43Å; F526-V610 HydrophobicContact CD1-CB 4.36Å; F526-V610 HydrophobicContact CD1-CG1 3.48Å; F526-V610 VanDerWaalsContact CD1-CG1 3.48Å; F526-V610 HydrophobicContact CD1-CG2 3.84Å; F526-V610 HydrophobicContact CE1-CG1 4.12Å; F526-V610 HydrophobicContact CE1-CG2 3.94Å; F526-V610 HydrophobicContact CG-CG1 4.28Å; W527-V610 HydrophobicContact CB-CG2 4.48Å; S606-V610 WeakPolarHBondContact O-CG2 3.21Å; S606-V610 PolarHBondContact O-N 3.44Å; I607-V610 PolarHBondContact O-N 2.94Å; V610-N612 VanDerWaalsContact C-N 3.34Å; V610-N612 PolarHBondContact O-N 3.35Å; V610-Y613 PolarHBondContact O-N 3.32Å; V610-L614 VanDerWaalsContact O-CB 3.29Å; V610-L614 WeakPolarHBondContact O-CB 3.27Å; V610-L614 PolarHBondContact O-N 3.14Å
611	Y	97.4	Very high	96	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-55.1	-48.3	179.9	-172.1	-102.8	0	0	0	112.3	T523 I607 H608 L614 R615 F636 L637 F642 F643	T523-Y611 HydrophobicContact CG2-CD2 4.22Å; T523-Y611 WeakPolarHBondContact OG1-CD2 3.28Å; I607-Y611 PolarHBondContact O-N 2.88Å; H608-Y611 PolarHBondContact O-N 3.38Å; Y611-L614 PolarHBondContact O-N 3.05Å; Y611-R615 VanDerWaalsContact O-CB 3.26Å; Y611-R615 WeakPolarHBondContact O-CB 3.49Å; Y611-R615 PolarHBondContact O-N 3.34Å; Y611-F636 HydrophobicContact CD2-CD1 4.34Å; Y611-F636 HydrophobicContact CE1-CD1 4.33Å; Y611-F636 AromaticContact CE2-CD1 3.67Å; Y611-F636 HydrophobicContact CE2-CD1 3.67Å; Y611-F636 HydrophobicContact CE2-CE1 4.16Å; Y611-F636 AromaticContact CZ-CD1 3.67Å; Y611-F636 WeakPolarHBondContact OH-CA 3.47Å; Y611-L637 PolarHBondContact OH-N 3.08Å; Y611-F642 HydrophobicContact CD2-CD2 4.19Å; Y611-F642 HydrophobicContact CD2-CE2 4.48Å; Y611-F642 HydrophobicContact CE1-CD2 4.25Å; Y611-F642 AromaticContact CE2-CD2 3.53Å; Y611-F642 HydrophobicContact CE2-CD2 3.53Å; Y611-F642 AromaticContact CE2-CE2 3.49Å; Y611-F642 HydrophobicContact CE2-CE2 3.49Å; Y611-F642 VanDerWaalsContact CE2-CE2 3.49Å; Y611-F642 AromaticContact CZ-CD2 3.56Å; Y611-F642 AromaticContact CZ-CE2 3.56Å; Y611-F642 VanDerWaalsContact OH-CE2 3.26Å; Y611-F642 WeakPolarHBondContact OH-CE2 3.48Å; Y611-F643 AromaticContact CD1-CE2 3.94Å; Y611-F643 HydrophobicContact CD1-CE2 3.94Å; Y611-F643 AromaticContact CG-CE2 3.83Å; Y611-F643 HydrophobicContact CG-CE2 3.83Å; Y611-F643 HydrophobicContact CG-CZ 4.37Å
612	N	95.9	Very high	96.2	Very high	9 Å²	9	7.7 Å²	7.7	5%	0.048	4%	0.035	C	C	.	.	H	α-helix	trans	-71.1	-36.1	-176.1	-70.6	-31.5	0	0	0	112.7	F121 H608 T609 V610 S616 S639	F121-N612 HydrophobicContact CD1-CB 4.41Å; F121-N612 WeakPolarHBondContact CD1-ND2 3.34Å; F121-N612 HydrophobicContact CE1-CB 4.04Å; F121-N612 WeakPolarHBondContact CE1-ND2 3.49Å; F121-N612 WeakPolarHBondContact CG-ND2 3.27Å; F121-N612 WeakPolarHBondContact CZ-ND2 3.44Å; H608-N612 PolarHBondContact CD2-ND2 3.39Å; H608-N612 PolarHBondContact NE2-ND2 3.5Å; H608-N612 VanDerWaalsContact NE2-ND2 3.11Å; H608-N612 PolarHBondContact O-N 3.29Å; H608-N612 VanDerWaalsContact O-N 3.11Å; H608-N612 PolarHBondContact O-ND2 2.75Å; T609-N612 PolarHBondContact O-N 3.33Å; V610-N612 VanDerWaalsContact C-N 3.34Å; V610-N612 PolarHBondContact O-N 3.35Å; N612-S616 WeakPolarHBondContact O-CB 3.35Å; N612-S616 PolarHBondContact O-N 3.49Å; N612-S616 VanDerWaalsContact O-N 3.08Å; N612-S639 WeakPolarHBondContact OD1-CB 3.34Å; N612-S639 PolarHBondContact OD1-OG 3.16Å
613	Y	97.6	Very high	96.4	Very high	3 Å²	3	10.3 Å²	10.3	1%	0.012	5%	0.048	C	C	.	.	H	α-helix	trans	-72.5	-35.2	173	-71.6	-54	0	0	0	112.7	A403 I406 R439 H442 T609 V610 L617	A403-Y613 HydrophobicContact CB-CD1 3.52Å; A403-Y613 HydrophobicContact CB-CE1 3.65Å; I406-Y613 HydrophobicContact CG2-CD1 3.9Å; I406-Y613 HydrophobicContact CG2-CE1 3.48Å; I406-Y613 VanDerWaalsContact CG2-CE1 3.48Å; R439-Y613 HydrophobicContact CG-CD1 3.96Å; R439-Y613 HydrophobicContact CG-CD2 4.21Å; R439-Y613 HydrophobicContact CG-CE1 3.79Å; R439-Y613 HydrophobicContact CG-CE2 4Å; R439-Y613 HydrophobicContact CG-CG 4.2Å; H442-Y613 PolarHBondContact CE1-O 3.03Å; T609-Y613 HydrophobicContact CG2-CD2 3.71Å; T609-Y613 HydrophobicContact CG2-CE2 3.44Å; T609-Y613 VanDerWaalsContact CG2-CE2 3.44Å; T609-Y613 VanDerWaalsContact O-CD2 3.24Å; T609-Y613 WeakPolarHBondContact O-CD2 3.27Å; T609-Y613 PolarHBondContact O-N 3.31Å; T609-Y613 VanDerWaalsContact O-N 3.11Å; V610-Y613 PolarHBondContact O-N 3.32Å; Y613-L617 VanDerWaalsContact O-CB 3.29Å; Y613-L617 WeakPolarHBondContact O-CB 3.41Å; Y613-L617 PolarHBondContact O-N 3.14Å
614	L	97.8	Very high	96.5	Very high	2 Å²	2	10 Å²	10	1%	0.01	5%	0.047	C	C	.	.	H	α-helix	trans	-67.2	-43.9	175.1	-174	66.7	0	0	0	111.5	L438 L499 L522 V610 Y611 S616 L617 T618 F636	L438-L614 HydrophobicContact CD1-CB 4.22Å; L438-L614 HydrophobicContact CD2-CD1 4.29Å; L499-L614 HydrophobicContact CD2-CD1 4.04Å; L522-L614 HydrophobicContact CB-CD2 4.46Å; L522-L614 HydrophobicContact CD2-CD1 4.47Å; L522-L614 HydrophobicContact CD2-CD2 3.95Å; L522-L614 HydrophobicContact CG-CD2 3.94Å; V610-L614 VanDerWaalsContact O-CB 3.29Å; V610-L614 WeakPolarHBondContact O-CB 3.27Å; V610-L614 PolarHBondContact O-N 3.14Å; Y611-L614 PolarHBondContact O-N 3.05Å; L614-S616 PolarHBondContact O-N 3.2Å; L614-L617 PolarHBondContact O-N 3.01Å; L614-T618 PolarHBondContact O-N 2.69Å; L614-T618 PolarHBondContact O-OG1 3.06Å; L614-F636 HydrophobicContact CB-CE1 4.33Å; L614-F636 HydrophobicContact CD2-CE1 4.09Å; L614-F636 HydrophobicContact CD2-CZ 4.13Å; L614-F636 HydrophobicContact CG-CE1 4.03Å; L614-F636 HydrophobicContact CG-CZ 3.86Å
615	R	97.6	Very high	96.5	Very high	12 Å²	12	10.3 Å²	10.3	5%	0.045	5%	0.049	C	C	.	.	H	α-helix	trans	-53.8	-52.2	172.1	179.6	165.7	97.2	154.5	10.2	111.3	D128 Y611 T618 Y619 F636 L637	D128-R615 IonicContact OD1-NH2 2.75Å; D128-R615 IonicContact OD2-CZ 3.88Å; D128-R615 IonicContact OD2-NH1 3.38Å; D128-R615 PolarHBondContact OD2-NH1 3.17Å; D128-R615 IonicContact OD2-NH2 3.16Å; D128-R615 PolarHBondContact OD2-NH2 2.93Å; Y611-R615 VanDerWaalsContact O-CB 3.26Å; Y611-R615 WeakPolarHBondContact O-CB 3.49Å; Y611-R615 PolarHBondContact O-N 3.34Å; R615-T618 PolarHBondContact O-N 3.39Å; R615-Y619 HydrophobicContact CG-CD2 4.03Å; R615-Y619 HydrophobicContact CG-CE2 3.41Å; R615-Y619 VanDerWaalsContact CG-CE2 3.41Å; R615-Y619 VanDerWaalsContact O-CD2 3.32Å; R615-Y619 WeakPolarHBondContact O-CD2 3.46Å; R615-Y619 PolarHBondContact O-N 3.32Å; R615-Y619 VanDerWaalsContact O-N 3.16Å; R615-F636 HydrophobicContact CB-CB 4.07Å; R615-F636 HydrophobicContact CB-CD1 3.56Å; R615-F636 HydrophobicContact CB-CD2 4.37Å; R615-F636 HydrophobicContact CB-CE1 4.1Å; R615-F636 HydrophobicContact CB-CG 3.73Å; R615-F636 HydrophobicContact CG-CB 3.54Å; R615-F636 HydrophobicContact CG-CD1 4.05Å; R615-F636 HydrophobicContact CG-CD2 4.35Å; R615-F636 HydrophobicContact CG-CG 3.72Å; R615-L637 PolarHBondContact NH1-O 3.07Å
616	S	97.8	Very high	96.6	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.007	6%	0.059	C	C	.	.	H	α-helix	trans	-60.9	-43.1	177.8	176.2	0	0	0	0	112.9	L402 A403 H442 N612 L614 L620	L402-S616 WeakPolarHBondContact CA-OG 3.19Å; A403-S616 VanDerWaalsContact N-CB 3.35Å; A403-S616 PolarHBondContact N-OG 3.27Å; H442-S616 WeakPolarHBondContact NE2-CB 3.33Å; H442-S616 PolarHBondContact NE2-OG 3.43Å; N612-S616 WeakPolarHBondContact O-CB 3.35Å; N612-S616 PolarHBondContact O-N 3.49Å; N612-S616 VanDerWaalsContact O-N 3.08Å; L614-S616 PolarHBondContact O-N 3.2Å; S616-L620 VanDerWaalsContact O-CB 3.32Å; S616-L620 WeakPolarHBondContact O-CB 3.23Å; S616-L620 PolarHBondContact O-N 3.35Å
617	L	98.2	Very high	96.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-69	-40.1	-177.8	-172.8	56.1	0	0	0	111.9	L438 M441 H442 L445 L499 I502 Y613 L614 L620 I621	L438-L617 HydrophobicContact CD2-CD2 4.13Å; M441-L617 HydrophobicContact CB-CD1 4.09Å; M441-L617 HydrophobicContact CB-CD2 3.89Å; M441-L617 HydrophobicContact CG-CD1 3.82Å; M441-L617 HydrophobicContact CG-CD2 3.99Å; M441-L617 HydrophobicContact CG-CG 4.49Å; H442-L617 PolarHBondContact NE2-N 3.14Å; L445-L617 HydrophobicContact CD1-CD1 3.69Å; L499-L617 HydrophobicContact CD2-CB 4.27Å; L499-L617 HydrophobicContact CD2-CD2 3.66Å; L499-L617 HydrophobicContact CD2-CG 3.76Å; I502-L617 HydrophobicContact CG2-CD2 4.11Å; Y613-L617 VanDerWaalsContact O-CB 3.29Å; Y613-L617 WeakPolarHBondContact O-CB 3.41Å; Y613-L617 PolarHBondContact O-N 3.14Å; L614-L617 PolarHBondContact O-N 3.01Å; L617-L620 PolarHBondContact O-N 3.49Å; L617-I621 HydrophobicContact CD1-CD1 3.88Å; L617-I621 HydrophobicContact CD1-CG1 4.17Å; L617-I621 HydrophobicContact CG-CD1 3.85Å; L617-I621 WeakPolarHBondContact O-CG1 3Å; L617-I621 PolarHBondContact O-N 2.89Å
618	T	97.9	Very high	96.4	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.018	12%	0.124	C	C	.	.	H	α-helix	trans	-60.5	-52.6	175.7	-49.5	0	0	0	0	110.1	T495 L499 L614 R615 L620 I621 D622 L634 F636	T495-T618 HydrophobicContact CG2-CG2 3.84Å; L499-T618 HydrophobicContact CD1-CG2 4.15Å; L499-T618 WeakPolarHBondContact CD1-OG1 3.1Å; L614-T618 PolarHBondContact O-N 2.69Å; L614-T618 PolarHBondContact O-OG1 3.06Å; R615-T618 PolarHBondContact O-N 3.39Å; T618-L620 VanDerWaalsContact C-N 3.29Å; T618-L620 PolarHBondContact O-N 2.98Å; T618-I621 PolarHBondContact O-N 2.92Å; T618-D622 WeakPolarHBondContact O-CB 3.01Å; T618-D622 PolarHBondContact O-N 2.87Å; T618-L634 HydrophobicContact CG2-CB 4.44Å; T618-L634 HydrophobicContact CG2-CD1 4.22Å; T618-F636 HydrophobicContact CG2-CE2 3.95Å; T618-F636 VanDerWaalsContact OG1-CE2 3.31Å; T618-F636 WeakPolarHBondContact OG1-CE2 3.1Å
619	Y	97.7	Very high	96.3	Very high	57 Å²	57	25.5 Å²	25.5	22%	0.224	14%	0.135	C	C	.	.	H	α-helix	trans	-62.4	-34.2	178.1	-59.6	-33.8	0	0	0	113.3	K401 R615 E623 F636	K401-Y619 HydrophobicContact CB-CD2 4.02Å; K401-Y619 HydrophobicContact CB-CE2 4.41Å; K401-Y619 HydrophobicContact CD-CE2 4.39Å; R615-Y619 HydrophobicContact CG-CD2 4.03Å; R615-Y619 HydrophobicContact CG-CE2 3.41Å; R615-Y619 VanDerWaalsContact CG-CE2 3.41Å; R615-Y619 VanDerWaalsContact O-CD2 3.32Å; R615-Y619 WeakPolarHBondContact O-CD2 3.46Å; R615-Y619 PolarHBondContact O-N 3.32Å; R615-Y619 VanDerWaalsContact O-N 3.16Å; Y619-E623 PolarHBondContact O-N 3.39Å; Y619-E623 VanDerWaalsContact O-N 3.15Å; Y619-F636 PolarHBondContact OH-O 3.48Å
620	L	98.1	Very high	96.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.8	-50.3	175.9	176.6	60.2	0	0	0	111.3	L393 L396 L402 H442 L445 F446 S616 L617 T618 E623 L624	L393-L620 HydrophobicContact CD1-CD1 3.53Å; L396-L620 HydrophobicContact CD2-CB 4.43Å; L396-L620 HydrophobicContact CD2-CD1 4.4Å; L402-L620 HydrophobicContact CD2-CB 4Å; L402-L620 HydrophobicContact CD2-CD1 4.21Å; L402-L620 HydrophobicContact CD2-CG 4.49Å; H442-L620 HydrophobicContact CB-CD2 4.37Å; L445-L620 HydrophobicContact CB-CD2 4.25Å; L445-L620 HydrophobicContact CD1-CD2 3.82Å; L445-L620 HydrophobicContact CD1-CG 4.22Å; F446-L620 HydrophobicContact CD2-CD2 4.22Å; F446-L620 HydrophobicContact CE1-CD1 4.31Å; F446-L620 HydrophobicContact CE2-CD1 4.07Å; F446-L620 HydrophobicContact CE2-CD2 3.57Å; F446-L620 HydrophobicContact CZ-CD1 3.65Å; F446-L620 HydrophobicContact CZ-CD2 4.06Å; S616-L620 VanDerWaalsContact O-CB 3.32Å; S616-L620 WeakPolarHBondContact O-CB 3.23Å; S616-L620 PolarHBondContact O-N 3.35Å; L617-L620 PolarHBondContact O-N 3.49Å; T618-L620 VanDerWaalsContact C-N 3.29Å; T618-L620 PolarHBondContact O-N 2.98Å; L620-E623 PolarHBondContact O-N 3.41Å; L620-L624 HydrophobicContact CD1-CD1 3.78Å; L620-L624 HydrophobicContact CD1-CG 4.34Å; L620-L624 HydrophobicContact CG-CD1 3.91Å; L620-L624 WeakPolarHBondContact O-CD1 3.43Å; L620-L624 WeakPolarHBondContact O-CG 3.29Å; L620-L624 PolarHBondContact O-N 2.82Å
621	I	97.6	Very high	96.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-67.8	-40.5	-179.3	-60.1	163.3	0	0	0	110.3	L445 T495 M498 L499 L617 T618 E623 L624 L625	L445-I621 HydrophobicContact CD1-CD1 4.33Å; L445-I621 HydrophobicContact CD1-CG1 3.71Å; T495-I621 HydrophobicContact CG2-CB 4.08Å; T495-I621 HydrophobicContact CG2-CG2 4.16Å; M498-I621 HydrophobicContact CB-CD1 4.02Å; M498-I621 HydrophobicContact SD-CD1 4.32Å; M498-I621 HydrophobicContact SD-CG1 4.39Å; M498-I621 HydrophobicContact SD-CG2 3.68Å; L499-I621 HydrophobicContact CD2-CD1 4.2Å; L499-I621 HydrophobicContact CG-CD1 4.31Å; L617-I621 HydrophobicContact CD1-CD1 3.88Å; L617-I621 HydrophobicContact CD1-CG1 4.17Å; L617-I621 HydrophobicContact CG-CD1 3.85Å; L617-I621 WeakPolarHBondContact O-CG1 3Å; L617-I621 PolarHBondContact O-N 2.89Å; T618-I621 PolarHBondContact O-N 2.92Å; I621-E623 VanDerWaalsContact C-N 3.31Å; I621-E623 PolarHBondContact O-N 2.86Å; I621-L624 PolarHBondContact O-N 3.34Å; I621-L625 HydrophobicContact CG2-CD1 3.58Å; I621-L625 HydrophobicContact CG2-CG 4.04Å; I621-L625 PolarHBondContact O-N 2.92Å; I621-L625 VanDerWaalsContact O-N 3.1Å
622	D	96.8	Very high	95.7	Very high	21 Å²	21	33.2 Å²	33.2	11%	0.112	18%	0.175	C	C	.	.	H	α-helix	trans	-56.7	-42.4	176.1	-75.2	-19.2	0	0	0	111.9	T495 T618 L624 K630 S631	T495-D622 VanDerWaalsContact CB-OD1 3.28Å; T495-D622 WeakPolarHBondContact CB-OD1 3.27Å; T495-D622 WeakPolarHBondContact CG2-OD1 3.44Å; T495-D622 PolarHBondContact OG1-OD1 3.22Å; T618-D622 WeakPolarHBondContact O-CB 3.01Å; T618-D622 PolarHBondContact O-N 2.87Å; D622-L624 VanDerWaalsContact C-N 3.27Å; D622-L624 PolarHBondContact O-N 2.69Å; D622-K630 HydrophobicContact CB-CB 4.31Å; D622-K630 HydrophobicContact CB-CD 4.31Å; D622-K630 HydrophobicContact CB-CG 3.99Å; D622-K630 PolarHBondContact O-NZ 3.08Å; D622-K630 WeakPolarHBondContact OD1-CA 3.31Å; D622-K630 WeakPolarHBondContact OD1-CB 3.34Å; D622-S631 PolarHBondContact OD1-N 2.8Å
623	E	95.5	Very high	95.5	Very high	56 Å²	56	33.1 Å²	33.1	26%	0.262	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	6.7	178	-63.3	-47.1	133.5	0	0	115.1	N392 L396 Y619 L620 I621 K630	N392-E623 HydrophobicContact CB-CB 4.18Å; N392-E623 HydrophobicContact CB-CG 4.47Å; N392-E623 WeakPolarHBondContact CB-OE2 3.48Å; N392-E623 PolarHBondContact ND2-OE2 3.08Å; L396-E623 HydrophobicContact CD1-CG 4.45Å; L396-E623 HydrophobicContact CD2-CB 4.45Å; Y619-E623 PolarHBondContact O-N 3.39Å; Y619-E623 VanDerWaalsContact O-N 3.15Å; L620-E623 PolarHBondContact O-N 3.41Å; I621-E623 VanDerWaalsContact C-N 3.31Å; I621-E623 PolarHBondContact O-N 2.86Å; E623-K630 IonicContact OE1-NZ 3.53Å; E623-K630 PolarHBondContact OE1-NZ 3.28Å; E623-K630 IonicContact OE2-NZ 3.5Å; E623-K630 PolarHBondContact OE2-NZ 2.71Å
624	L	95.4	Very high	95.3	Very high	29 Å²	29	33.5 Å²	33.5	15%	0.152	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-10.1	171.1	-65.4	167.9	0	0	0	113.4	L393 L445 I449 L488 Q490 L620 I621 D622	L393-L624 HydrophobicContact CD1-CD2 4.46Å; L393-L624 HydrophobicContact CD2-CD2 4.29Å; L445-L624 HydrophobicContact CD2-CD1 4.37Å; I449-L624 HydrophobicContact CD1-CD1 3.81Å; I449-L624 HydrophobicContact CD1-CD2 3.59Å; I449-L624 HydrophobicContact CD1-CG 4.34Å; I449-L624 HydrophobicContact CG1-CD2 3.93Å; L488-L624 HydrophobicContact CD1-CB 3.54Å; L488-L624 HydrophobicContact CD1-CD1 4.14Å; L488-L624 HydrophobicContact CD1-CG 4.43Å; Q490-L624 PolarHBondContact NE2-O 3.44Å; L620-L624 HydrophobicContact CD1-CD1 3.78Å; L620-L624 HydrophobicContact CD1-CG 4.34Å; L620-L624 HydrophobicContact CG-CD1 3.91Å; L620-L624 WeakPolarHBondContact O-CD1 3.43Å; L620-L624 WeakPolarHBondContact O-CG 3.29Å; L620-L624 PolarHBondContact O-N 2.82Å; I621-L624 PolarHBondContact O-N 3.34Å; D622-L624 VanDerWaalsContact C-N 3.27Å; D622-L624 PolarHBondContact O-N 2.69Å
625	L	95.7	Very high	95.2	Very high	11 Å²	11	35.9 Å²	35.9	6%	0.058	19%	0.194	C	C	.	.	S	Bend	trans	-115.1	159.6	-179	-67.7	-176.5	0	0	0	112.4	L488 D493 I621 R629	L488-L625 HydrophobicContact CB-CD2 4.39Å; L488-L625 HydrophobicContact CD1-CD2 4.04Å; D493-L625 HydrophobicContact CB-CD1 4.3Å; D493-L625 HydrophobicContact CB-CD2 4.02Å; I621-L625 HydrophobicContact CG2-CD1 3.58Å; I621-L625 HydrophobicContact CG2-CG 4.04Å; I621-L625 PolarHBondContact O-N 2.92Å; I621-L625 VanDerWaalsContact O-N 3.1Å; L625-R629 HydrophobicContact CB-CB 4.06Å; L625-R629 HydrophobicContact CD1-CB 4.2Å
626	P	93.6	Very high	95.1	Very high	42 Å²	42	36 Å²	36	27%	0.273	20%	0.195	S	C	.	.			trans	-61.6	156.5	172.9	-24.1	36.9	0	0	0	113	D628 R629 K630	P626-D628 VanDerWaalsContact CB-OD1 3.27Å; P626-D628 WeakPolarHBondContact CB-OD1 3.32Å; P626-D628 PolarHBondContact O-N 3.17Å; P626-D628 VanDerWaalsContact O-N 3.15Å; P626-R629 HydrophobicContact CB-CG 4.41Å; P626-R629 WeakPolarHBondContact O-CA 3.46Å; P626-R629 WeakPolarHBondContact O-CB 3.38Å; P626-R629 PolarHBondContact O-N 3.41Å; P626-K630 PolarHBondContact O-N 2.81Å
627	S	92.8	Very high	95	Very high	105 Å²	105	37.4 Å²	37.4	73%	0.734	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.9	-174.8	-60	0	0	0	0	115	R629	S627-R629 VanDerWaalsContact C-N 3.27Å
628	D	93.8	Very high	94.8	Very high	119 Å²	119	39.1 Å²	39.1	64%	0.636	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-10.6	173.6	60.6	-65.7	0	0	0	113.8	P626	P626-D628 VanDerWaalsContact CB-OD1 3.27Å; P626-D628 WeakPolarHBondContact CB-OD1 3.32Å; P626-D628 PolarHBondContact O-N 3.17Å; P626-D628 VanDerWaalsContact O-N 3.15Å
629	R	93.9	Very high	94.6	Very high	64 Å²	64	39 Å²	39	24%	0.242	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-6.8	-176.6	-55.5	-53.1	178.3	103.5	2.6	114.5	H491 T494 T495 L625 P626 S627	H491-R629 VanDerWaalsContact C-NH1 3.31Å; H491-R629 VanDerWaalsContact O-CZ 3.26Å; H491-R629 PolarHBondContact O-NH1 3.19Å; H491-R629 PolarHBondContact O-NH2 3.47Å; T494-R629 WeakPolarHBondContact CA-O 3.45Å; T494-R629 HydrophobicContact CG2-CB 4.41Å; T495-R629 PolarHBondContact N-O 3.25Å; T495-R629 PolarHBondContact OG1-O 2.97Å; L625-R629 HydrophobicContact CB-CB 4.06Å; L625-R629 HydrophobicContact CD1-CB 4.2Å; P626-R629 HydrophobicContact CB-CG 4.41Å; P626-R629 WeakPolarHBondContact O-CA 3.46Å; P626-R629 WeakPolarHBondContact O-CB 3.38Å; P626-R629 PolarHBondContact O-N 3.41Å; S627-R629 VanDerWaalsContact C-N 3.27Å
630	K	94.7	Very high	94.5	Very high	56 Å²	56	37.1 Å²	37.1	24%	0.243	21%	0.205	C	C	.	.	S	Bend	trans	-61.6	155.3	172	-64.7	-178.4	-172.2	-85.5	0	111.1	D622 E623 P626 N632	D622-K630 HydrophobicContact CB-CB 4.31Å; D622-K630 HydrophobicContact CB-CD 4.31Å; D622-K630 HydrophobicContact CB-CG 3.99Å; D622-K630 PolarHBondContact O-NZ 3.08Å; D622-K630 WeakPolarHBondContact OD1-CA 3.31Å; D622-K630 WeakPolarHBondContact OD1-CB 3.34Å; E623-K630 IonicContact OE1-NZ 3.53Å; E623-K630 PolarHBondContact OE1-NZ 3.28Å; E623-K630 IonicContact OE2-NZ 3.5Å; E623-K630 PolarHBondContact OE2-NZ 2.71Å; P626-K630 PolarHBondContact O-N 2.81Å; K630-N632 PolarHBondContact O-N 3.26Å
631	S	93.1	Very high	94.4	Very high	17 Å²	17	38 Å²	38	12%	0.119	21%	0.21	C	C	.	.			trans	-59	119.3	179.9	136	0	0	0	0	110.7	D496 D622 L634	D496-S631 WeakPolarHBondContact OD1-CB 3.28Å; D496-S631 WeakPolarHBondContact OD2-CA 3.3Å; D622-S631 PolarHBondContact OD1-N 2.8Å; S631-L634 WeakPolarHBondContact OG-CB 3.3Å; S631-L634 PolarHBondContact OG-N 2.89Å; S631-L634 VanDerWaalsContact OG-N 3.13Å
632	N	89.3	Confident	94.3	Very high	90 Å²	90	38.1 Å²	38.1	48%	0.481	21%	0.21	S	C	.	.	S	Bend	trans	-92.1	-18.8	169.3	-162.7	24.5	0	0	0	111.5	D496 K515 K630	D496-N632 PolarHBondContact OD2-N 3.14Å; D496-N632 VanDerWaalsContact OD2-N 3.16Å; K515-N632 VanDerWaalsContact CD-O 3.23Å; K515-N632 WeakPolarHBondContact CD-O 3.5Å; K515-N632 WeakPolarHBondContact CE-O 3.19Å; K515-N632 PolarHBondContact NZ-O 2.66Å; K515-N632 PolarHBondContact NZ-OD1 3.37Å; K630-N632 PolarHBondContact O-N 3.26Å
633	C	90.4	Very high	94.3	Very high	7 Å²	7	37.2 Å²	37.2	5%	0.047	21%	0.205	C	C	.	.	S	Bend	trans	-87.5	-28.4	-173.8	-64.1	0	0	0	0	114.4	F507 S508 K515	F507-C633 HydrophobicContact CD2-CB 4.34Å; F507-C633 HydrophobicContact CE2-CB 4.34Å; S508-C633 PolarHBondContact O-SG 3.46Å; K515-C633 WeakPolarHBondContact CB-O 3.18Å
634	L	94.3	Very high	94.3	Very high	11 Å²	11	34.6 Å²	34.6	6%	0.058	19%	0.193	C	C	.	.			trans	-105	153.4	-170.8	-53.6	176.3	0	0	0	113.1	L499 F507 V518 S519 L522 T618 S631 F636	L499-L634 HydrophobicContact CD1-CD1 3.55Å; F507-L634 HydrophobicContact CD2-CD2 4.11Å; F507-L634 HydrophobicContact CE2-CD1 3.77Å; F507-L634 HydrophobicContact CE2-CD2 3.84Å; F507-L634 HydrophobicContact CE2-CG 3.8Å; F507-L634 HydrophobicContact CZ-CD1 3.92Å; F507-L634 HydrophobicContact CZ-CG 4.45Å; V518-L634 HydrophobicContact CB-CD2 4.39Å; V518-L634 HydrophobicContact CG1-CD2 4.04Å; S519-L634 WeakPolarHBondContact OG-CA 3.21Å; S519-L634 WeakPolarHBondContact OG-CB 3.49Å; L522-L634 HydrophobicContact CD2-CD1 4.08Å; L522-L634 HydrophobicContact CD2-CD2 3.78Å; T618-L634 HydrophobicContact CG2-CB 4.44Å; T618-L634 HydrophobicContact CG2-CD1 4.22Å; S631-L634 WeakPolarHBondContact OG-CB 3.3Å; S631-L634 PolarHBondContact OG-N 2.89Å; S631-L634 VanDerWaalsContact OG-N 3.13Å; L634-F636 HydrophobicContact CB-CE2 3.8Å; L634-F636 HydrophobicContact CB-CZ 4.26Å; L634-F636 HydrophobicContact CD1-CE2 4.26Å; L634-F636 HydrophobicContact CD1-CZ 4.17Å
635	S	94.4	Very high	94.4	Very high	52 Å²	52	33.4 Å²	33.4	36%	0.364	19%	0.187	S	C	.	.			trans	-157.3	131.1	168.2	-175.1	0	0	0	0	109.8	W516 S519	W516-S635 WeakPolarHBondContact CA-O 3.33Å; W516-S635 WeakPolarHBondContact CB-O 3.33Å; S519-S635 WeakPolarHBondContact CB-O 3.17Å; S519-S635 PolarHBondContact OG-N 3Å; S519-S635 PolarHBondContact OG-O 2.97Å
636	F	95.8	Very high	94.3	Very high	14 Å²	14	33 Å²	33	6%	0.061	19%	0.185	C	C	.	.			trans	-111.2	131.3	-173.5	-61.4	-94.5	0	0	0	111.2	Y611 L614 R615 T618 Y619 L634	Y611-F636 HydrophobicContact CD2-CD1 4.34Å; Y611-F636 HydrophobicContact CE1-CD1 4.33Å; Y611-F636 AromaticContact CE2-CD1 3.67Å; Y611-F636 HydrophobicContact CE2-CD1 3.67Å; Y611-F636 HydrophobicContact CE2-CE1 4.16Å; Y611-F636 AromaticContact CZ-CD1 3.67Å; Y611-F636 WeakPolarHBondContact OH-CA 3.47Å; L614-F636 HydrophobicContact CB-CE1 4.33Å; L614-F636 HydrophobicContact CD2-CE1 4.09Å; L614-F636 HydrophobicContact CD2-CZ 4.13Å; L614-F636 HydrophobicContact CG-CE1 4.03Å; L614-F636 HydrophobicContact CG-CZ 3.86Å; R615-F636 HydrophobicContact CB-CB 4.07Å; R615-F636 HydrophobicContact CB-CD1 3.56Å; R615-F636 HydrophobicContact CB-CD2 4.37Å; R615-F636 HydrophobicContact CB-CE1 4.1Å; R615-F636 HydrophobicContact CB-CG 3.73Å; R615-F636 HydrophobicContact CG-CB 3.54Å; R615-F636 HydrophobicContact CG-CD1 4.05Å; R615-F636 HydrophobicContact CG-CD2 4.35Å; R615-F636 HydrophobicContact CG-CG 3.72Å; T618-F636 HydrophobicContact CG2-CE2 3.95Å; T618-F636 VanDerWaalsContact OG1-CE2 3.31Å; T618-F636 WeakPolarHBondContact OG1-CE2 3.1Å; Y619-F636 PolarHBondContact OH-O 3.48Å; L634-F636 HydrophobicContact CB-CE2 3.8Å; L634-F636 HydrophobicContact CB-CZ 4.26Å; L634-F636 HydrophobicContact CD1-CE2 4.26Å; L634-F636 HydrophobicContact CD1-CZ 4.17Å
637	L	95.4	Very high	94.4	Very high	31 Å²	31	31.9 Å²	31.9	16%	0.162	18%	0.177	C	C	.	.			trans	-88.7	168.6	175.7	-61.6	-173	0	0	0	110.2	W516 Y559 Y611 R615 S639 I641 F642	W516-L637 HydrophobicContact CB-CD1 4.42Å; W516-L637 HydrophobicContact CB-CG 4.16Å; W516-L637 HydrophobicContact CD2-CD1 4.17Å; W516-L637 HydrophobicContact CG-CD1 4.12Å; W516-L637 HydrophobicContact CG-CG 4.34Å; Y559-L637 HydrophobicContact CD2-CD1 3.75Å; Y559-L637 HydrophobicContact CE2-CD1 3.99Å; Y611-L637 PolarHBondContact OH-N 3.08Å; R615-L637 PolarHBondContact NH1-O 3.07Å; L637-S639 PolarHBondContact O-N 2.82Å; L637-I641 HydrophobicContact CB-CD1 4.38Å; L637-I641 HydrophobicContact CD1-CD1 4.46Å; L637-I641 HydrophobicContact CD1-CG2 4.1Å; L637-F642 HydrophobicContact CB-CZ 4.41Å; L637-F642 HydrophobicContact CD1-CE1 3.72Å; L637-F642 HydrophobicContact CD1-CZ 3.89Å; L637-F642 HydrophobicContact CG-CE1 4.45Å; L637-F642 HydrophobicContact CG-CZ 4.19Å
638	P	95	Very high	94.6	Very high	36 Å²	36	26.9 Å²	26.9	23%	0.234	14%	0.142	C	C	.	.			trans	-54.3	128.8	163	-26.7	36.1	0	0	0	111.1	D128 W640 I641	D128-P638 HydrophobicContact CB-CB 4.01Å; D128-P638 HydrophobicContact CB-CG 4.28Å; P638-W640 HydrophobicContact CB-CD2 4.41Å; P638-W640 HydrophobicContact CB-CG 4.39Å; P638-W640 HydrophobicContact CB-CZ2 4.26Å; P638-W640 VanDerWaalsContact CB-NE1 3.3Å; P638-W640 PolarHBondContact O-N 3.08Å; P638-W640 VanDerWaalsContact O-N 3.1Å; P638-I641 HydrophobicContact CB-CD1 4.48Å; P638-I641 HydrophobicContact CB-CG1 4.39Å; P638-I641 HydrophobicContact CG-CD1 4.38Å; P638-I641 WeakPolarHBondContact O-CB 3.47Å; P638-I641 PolarHBondContact O-N 2.84Å
639	S	94	Very high	94.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-66.5	-20.7	-166.8	-48.4	0	0	0	0	113.4	H608 N612 L637 I641 F642 F643	H608-S639 WeakPolarHBondContact NE2-CB 3.21Å; N612-S639 WeakPolarHBondContact OD1-CB 3.34Å; N612-S639 PolarHBondContact OD1-OG 3.16Å; L637-S639 PolarHBondContact O-N 2.82Å; S639-I641 PolarHBondContact O-N 2.88Å; S639-F642 PolarHBondContact O-N 3.28Å; S639-F643 VanDerWaalsContact O-CD2 3.31Å; S639-F643 WeakPolarHBondContact O-CD2 3.43Å; S639-F643 PolarHBondContact O-N 3.34Å
640	W	94.7	Very high	94.9	Very high	18 Å²	18	18.8 Å²	18.8	7%	0.068	10%	0.103	C	C	.	.	H	α-helix	trans	-65.7	-14.6	170.6	60	-99.7	0	0	0	113.9	L53 I56 M125 N558 V562 P638 P644	L53-W640 HydrophobicContact CD1-CE3 3.87Å; L53-W640 HydrophobicContact CD1-CZ3 4Å; I56-W640 HydrophobicContact CD1-CD2 3.86Å; I56-W640 HydrophobicContact CD1-CE3 3.82Å; I56-W640 HydrophobicContact CD1-CH2 3.95Å; I56-W640 HydrophobicContact CD1-CZ2 3.97Å; I56-W640 HydrophobicContact CD1-CZ3 3.85Å; I56-W640 HydrophobicContact CG1-CD2 3.89Å; I56-W640 HydrophobicContact CG1-CE3 4.12Å; I56-W640 HydrophobicContact CG1-CG 4.1Å; I56-W640 HydrophobicContact CG2-CG 4.24Å; M125-W640 HydrophobicContact CE-CB 4.32Å; M125-W640 HydrophobicContact SD-CB 3.74Å; M125-W640 HydrophobicContact SD-CG 4.16Å; M125-W640 PolarHBondContact SD-N 3.27Å; M125-W640 VanDerWaalsContact SD-N 3.42Å; N558-W640 PolarHBondContact ND2-O 3.44Å; V562-W640 HydrophobicContact CB-CZ3 4.14Å; V562-W640 HydrophobicContact CG1-CZ3 4.13Å; V562-W640 HydrophobicContact CG2-CH2 4.48Å; V562-W640 HydrophobicContact CG2-CZ3 4Å; P638-W640 HydrophobicContact CB-CD2 4.41Å; P638-W640 HydrophobicContact CB-CG 4.39Å; P638-W640 HydrophobicContact CB-CZ2 4.26Å; P638-W640 VanDerWaalsContact CB-NE1 3.3Å; P638-W640 PolarHBondContact O-N 3.08Å; P638-W640 VanDerWaalsContact O-N 3.1Å; W640-P644 VanDerWaalsContact O-CA 3.28Å; W640-P644 WeakPolarHBondContact O-CA 3.44Å
641	I	96.1	Very high	95	Very high	19 Å²	19	16.7 Å²	16.7	10%	0.097	10%	0.095	C	C	.	.	H	α-helix	trans	-74.7	-40.2	173.3	-60	-173	0	0	0	111	N558 Y559 L637 P638 S639	N558-I641 WeakPolarHBondContact CB-O 3.43Å; N558-I641 WeakPolarHBondContact ND2-CA 3.48Å; N558-I641 PolarHBondContact ND2-O 3.46Å; Y559-I641 HydrophobicContact CD2-CG2 4.3Å; L637-I641 HydrophobicContact CB-CD1 4.38Å; L637-I641 HydrophobicContact CD1-CD1 4.46Å; L637-I641 HydrophobicContact CD1-CG2 4.1Å; P638-I641 HydrophobicContact CB-CD1 4.48Å; P638-I641 HydrophobicContact CB-CG1 4.39Å; P638-I641 HydrophobicContact CG-CD1 4.38Å; P638-I641 WeakPolarHBondContact O-CB 3.47Å; P638-I641 PolarHBondContact O-N 2.84Å; S639-I641 PolarHBondContact O-N 2.88Å
642	F	96.1	Very high	95.2	Very high	3 Å²	3	15.9 Å²	15.9	1%	0.013	9%	0.089	C	C	.	.	H	α-helix	trans	-88.2	-28.8	177	-63.3	-15.3	0	0	0	113.1	W516 L520 A555 Y611 L637 S639 P644	W516-F642 HydrophobicContact CB-CZ 4.27Å; W516-F642 HydrophobicContact CD2-CE1 4.35Å; W516-F642 HydrophobicContact CD2-CZ 4.1Å; W516-F642 AromaticContact CE3-CE1 3.54Å; W516-F642 HydrophobicContact CE3-CE1 3.54Å; W516-F642 AromaticContact CE3-CZ 3.38Å; W516-F642 HydrophobicContact CE3-CZ 3.38Å; W516-F642 AromaticContact CZ3-CE1 3.67Å; W516-F642 HydrophobicContact CZ3-CE1 3.67Å; W516-F642 AromaticContact CZ3-CZ 3.98Å; W516-F642 HydrophobicContact CZ3-CZ 3.98Å; L520-F642 HydrophobicContact CB-CD2 4.48Å; L520-F642 HydrophobicContact CB-CE2 3.98Å; L520-F642 HydrophobicContact CB-CZ 4.37Å; L520-F642 HydrophobicContact CD1-CD2 3.99Å; L520-F642 HydrophobicContact CD1-CE2 4.34Å; L520-F642 HydrophobicContact CD1-CG 4.42Å; A555-F642 HydrophobicContact CB-CB 3.95Å; A555-F642 HydrophobicContact CB-CD1 3.75Å; A555-F642 HydrophobicContact CB-CG 4.05Å; Y611-F642 HydrophobicContact CD2-CD2 4.19Å; Y611-F642 HydrophobicContact CD2-CE2 4.48Å; Y611-F642 HydrophobicContact CE1-CD2 4.25Å; Y611-F642 AromaticContact CE2-CD2 3.53Å; Y611-F642 HydrophobicContact CE2-CD2 3.53Å; Y611-F642 AromaticContact CE2-CE2 3.49Å; Y611-F642 HydrophobicContact CE2-CE2 3.49Å; Y611-F642 VanDerWaalsContact CE2-CE2 3.49Å; Y611-F642 AromaticContact CZ-CD2 3.56Å; Y611-F642 AromaticContact CZ-CE2 3.56Å; Y611-F642 VanDerWaalsContact OH-CE2 3.26Å; Y611-F642 WeakPolarHBondContact OH-CE2 3.48Å; L637-F642 HydrophobicContact CB-CZ 4.41Å; L637-F642 HydrophobicContact CD1-CE1 3.72Å; L637-F642 HydrophobicContact CD1-CZ 3.89Å; L637-F642 HydrophobicContact CG-CE1 4.45Å; L637-F642 HydrophobicContact CG-CZ 4.19Å; S639-F642 PolarHBondContact O-N 3.28Å; F642-P644 WeakPolarHBondContact O-CD 3.33Å
643	F	96	Very high	95.6	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.009	7%	0.066	C	C	.	.			trans	-121.9	65.1	-178.4	-48	-72.6	0	0	0	110.5	Y52 T551 F604 I607 H608 Y611 S639	Y52-F643 WeakPolarHBondContact CD2-O 3.33Å; T551-F643 HydrophobicContact CG2-CE1 4.17Å; F604-F643 HydrophobicContact CD2-CD1 4.39Å; F604-F643 HydrophobicContact CE2-CB 4.05Å; F604-F643 AromaticContact CE2-CD1 3.88Å; F604-F643 HydrophobicContact CE2-CD1 3.88Å; F604-F643 HydrophobicContact CE2-CG 4.42Å; F604-F643 HydrophobicContact CZ-CB 3.93Å; F604-F643 HydrophobicContact CZ-CD1 4.47Å; I607-F643 HydrophobicContact CG2-CE1 3.84Å; I607-F643 HydrophobicContact CG2-CZ 3.95Å; H608-F643 HydrophobicContact CB-CD1 4.09Å; H608-F643 HydrophobicContact CB-CD2 4.02Å; H608-F643 HydrophobicContact CB-CE1 4.17Å; H608-F643 HydrophobicContact CB-CE2 4.12Å; H608-F643 HydrophobicContact CB-CG 4.02Å; H608-F643 HydrophobicContact CB-CZ 4.2Å; H608-F643 AromaticContact CD2-CD2 3.23Å; H608-F643 WeakPolarHBondContact CD2-CD2 3.29Å; H608-F643 AromaticContact CD2-CE2 3.62Å; H608-F643 AromaticContact CD2-CG 3.89Å; H608-F643 AromaticContact CG-CD2 3.56Å; H608-F643 AromaticContact CG-CG 3.74Å; H608-F643 AromaticContact NE2-CD2 3.71Å; Y611-F643 AromaticContact CD1-CE2 3.94Å; Y611-F643 HydrophobicContact CD1-CE2 3.94Å; Y611-F643 AromaticContact CG-CE2 3.83Å; Y611-F643 HydrophobicContact CG-CE2 3.83Å; Y611-F643 HydrophobicContact CG-CZ 4.37Å; S639-F643 VanDerWaalsContact O-CD2 3.31Å; S639-F643 WeakPolarHBondContact O-CD2 3.43Å; S639-F643 PolarHBondContact O-N 3.34Å
644	P	96.6	Very high	95.8	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.006	7%	0.071	C	C	.	.	S	Bend	trans	-71.9	-37.6	-175.7	26.9	-35.1	0	0	0	114	E51 Y52 L53 I554 N558 Y573 W640 F642	E51-P644 CarbonylContact C-O 3.57Å; Y52-P644 PolarHBondContact N-O 3.04Å; L53-P644 HydrophobicContact CB-CB 3.66Å; L53-P644 WeakPolarHBondContact CB-O 3.31Å; L53-P644 HydrophobicContact CD2-CB 4.05Å; L53-P644 HydrophobicContact CG-CB 4.41Å; L53-P644 PolarHBondContact N-O 3.09Å; I554-P644 HydrophobicContact CG2-CG 3.44Å; I554-P644 VanDerWaalsContact CG2-CG 3.44Å; N558-P644 HydrophobicContact CB-CG 4.05Å; Y573-P644 HydrophobicContact CE2-CB 4.15Å; Y573-P644 HydrophobicContact CE2-CG 4Å; W640-P644 VanDerWaalsContact O-CA 3.28Å; W640-P644 WeakPolarHBondContact O-CA 3.44Å; F642-P644 WeakPolarHBondContact O-CD 3.33Å
645	S	96.2	Very high	95.8	Very high	4 Å²	4	12.3 Å²	12.3	3%	0.028	7%	0.069	C	C	.	.			trans	-151.5	114.3	-175.7	169.5	0	0	0	0	109.7	E51 H647 L648 F649	E51-S645 VanDerWaalsContact CD-OG 3.28Å; E51-S645 PolarHBondContact OE1-OG 3.35Å; E51-S645 VanDerWaalsContact OE2-CB 3.27Å; E51-S645 WeakPolarHBondContact OE2-CB 3.47Å; E51-S645 PolarHBondContact OE2-OG 2.83Å; S645-H647 PolarHBondContact O-N 3.29Å; S645-H647 PolarHBondContact OG-N 2.95Å; S645-L648 PolarHBondContact O-N 2.96Å; S645-L648 WeakPolarHBondContact OG-CB 3.48Å; S645-L648 PolarHBondContact OG-N 3.07Å; S645-F649 PolarHBondContact O-N 2.81Å; S645-F649 VanDerWaalsContact O-N 3.08Å
646	G	94.9	Very high	95.9	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.01	5%	0.052	C	C	.	.	H	α-helix	trans	-66	-28	172.4	0	0	0	0	0	112	Y48 G50 E51 F604 H650	Y48-G646 WeakPolarHBondContact O-CA 3.49Å; G50-G646 PolarHBondContact O-N 2.96Å; E51-G646 PolarHBondContact OE1-N 2.98Å; F604-G646 VanDerWaalsContact CZ-CA 3.47Å; G646-H650 WeakPolarHBondContact O-CB 3.47Å; G646-H650 PolarHBondContact O-N 3.12Å
647	H	95.1	Very high	95.8	Very high	20 Å²	20	13.8 Å²	13.8	9%	0.093	7%	0.071	C	C	.	.	H	α-helix	trans	-72.6	-39.6	176.1	-170	-170	0	0	0	112.7	Y48 E51 I577 Q581 S645 S651	Y48-H647 HydrophobicContact CD1-CB 4.39Å; Y48-H647 AromaticContact CD1-CD2 4Å; Y48-H647 HydrophobicContact CD2-CB 3.58Å; Y48-H647 AromaticContact CD2-CD2 3.79Å; Y48-H647 AromaticContact CD2-CG 3.58Å; Y48-H647 AromaticContact CE1-CD2 3.55Å; Y48-H647 HydrophobicContact CE2-CB 4.02Å; Y48-H647 AromaticContact CE2-CD2 3.32Å; Y48-H647 WeakPolarHBondContact CE2-CD2 3.44Å; Y48-H647 AromaticContact CE2-CE1 3.77Å; Y48-H647 AromaticContact CE2-CG 3.45Å; Y48-H647 VanDerWaalsContact CE2-CG 3.45Å; Y48-H647 AromaticContact CE2-ND1 3.73Å; Y48-H647 AromaticContact CE2-NE2 3.53Å; Y48-H647 HydrophobicContact CG-CB 3.8Å; Y48-H647 AromaticContact CZ-CD2 3.2Å; Y48-H647 AromaticContact CZ-CG 3.86Å; Y48-H647 AromaticContact CZ-NE2 3.34Å; Y48-H647 VanDerWaalsContact CZ-NE2 3.34Å; Y48-H647 PolarHBondContact OH-NE2 3.24Å; E51-H647 WeakPolarHBondContact OE1-CB 3.46Å; E51-H647 PolarHBondContact OE1-N 3Å; I577-H647 HydrophobicContact CD1-CB 4.15Å; I577-H647 WeakPolarHBondContact CG2-CE1 3.49Å; Q581-H647 PolarHBondContact NE2-CE1 3.27Å; Q581-H647 PolarHBondContact NE2-NE2 2.87Å; S645-H647 PolarHBondContact O-N 3.29Å; S645-H647 PolarHBondContact OG-N 2.95Å; H647-S651 VanDerWaalsContact O-CB 3.29Å; H647-S651 WeakPolarHBondContact O-CB 3.48Å; H647-S651 PolarHBondContact O-N 3.2Å; H647-S651 PolarHBondContact O-OG 2.88Å
648	L	97.7	Very high	95.7	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.9	-48.2	170.3	-179.2	67.8	0	0	0	110.2	I554 Y573 L576 I577 L580 S645 H650 S651 L652 L676	I554-L648 HydrophobicContact CD1-CB 4.45Å; I554-L648 HydrophobicContact CD1-CD2 4.04Å; I554-L648 HydrophobicContact CD1-CG 3.88Å; I554-L648 HydrophobicContact CG1-CD2 4.05Å; I554-L648 HydrophobicContact CG1-CG 4.35Å; I554-L648 HydrophobicContact CG2-CD2 4.32Å; Y573-L648 HydrophobicContact CD1-CD2 3.68Å; Y573-L648 HydrophobicContact CD2-CD2 3.81Å; Y573-L648 HydrophobicContact CE1-CD2 3.82Å; Y573-L648 HydrophobicContact CE2-CD2 3.97Å; Y573-L648 HydrophobicContact CG-CD2 3.66Å; L576-L648 HydrophobicContact CB-CD1 4.03Å; L576-L648 HydrophobicContact CD1-CD1 4.42Å; I577-L648 HydrophobicContact CD1-CB 4.14Å; I577-L648 HydrophobicContact CG1-CB 4.12Å; I577-L648 HydrophobicContact CG1-CD1 4.12Å; L580-L648 HydrophobicContact CD1-CD1 4.39Å; S645-L648 PolarHBondContact O-N 2.96Å; S645-L648 WeakPolarHBondContact OG-CB 3.48Å; S645-L648 PolarHBondContact OG-N 3.07Å; L648-H650 PolarHBondContact O-N 3.38Å; L648-S651 PolarHBondContact O-N 2.86Å; L648-L652 VanDerWaalsContact O-CB 3.26Å; L648-L652 WeakPolarHBondContact O-CB 3.16Å; L648-L652 PolarHBondContact O-N 2.91Å; L648-L676 HydrophobicContact CD1-CD2 4.17Å; L648-L676 HydrophobicContact CD2-CD2 4.06Å; L648-L676 HydrophobicContact CG-CD2 4.37Å
649	F	97.8	Very high	95.7	Very high	4 Å²	4	14.9 Å²	14.9	2%	0.018	8%	0.079	C	C	.	.	H	α-helix	trans	-56.6	-51.1	176.6	175.2	-90	0	0	0	112	I547 A550 T551 I554 I600 F604 S645 S651 L652 A653	I547-F649 HydrophobicContact CB-CZ 4.45Å; I547-F649 HydrophobicContact CD1-CE1 4.34Å; I547-F649 HydrophobicContact CD1-CZ 4.03Å; I547-F649 HydrophobicContact CG2-CZ 4.01Å; I547-F649 WeakPolarHBondContact O-CE2 3.41Å; A550-F649 HydrophobicContact CB-CD2 3.82Å; A550-F649 HydrophobicContact CB-CE2 3.58Å; A550-F649 HydrophobicContact CB-CZ 4.37Å; T551-F649 VanDerWaalsContact OG1-CE2 3.24Å; T551-F649 WeakPolarHBondContact OG1-CE2 3.22Å; I554-F649 VanDerWaalsContact CD1-CA 3.45Å; I554-F649 HydrophobicContact CD1-CB 3.9Å; I554-F649 HydrophobicContact CD1-CD2 4.29Å; I600-F649 HydrophobicContact CG2-CD1 4.13Å; I600-F649 HydrophobicContact CG2-CE1 3.64Å; F604-F649 HydrophobicContact CB-CD1 3.62Å; F604-F649 HydrophobicContact CB-CE1 3.63Å; F604-F649 HydrophobicContact CB-CG 4.43Å; F604-F649 HydrophobicContact CB-CZ 4.44Å; F604-F649 HydrophobicContact CD2-CB 3.87Å; F604-F649 AromaticContact CD2-CD1 3.59Å; F604-F649 HydrophobicContact CD2-CD1 3.59Å; F604-F649 HydrophobicContact CD2-CD2 4.08Å; F604-F649 HydrophobicContact CD2-CE1 4.21Å; F604-F649 AromaticContact CD2-CG 3.53Å; F604-F649 HydrophobicContact CD2-CG 3.53Å; F604-F649 HydrophobicContact CE2-CB 4.02Å; F604-F649 HydrophobicContact CE2-CG 4.15Å; F604-F649 AromaticContact CG-CD1 3.87Å; F604-F649 HydrophobicContact CG-CD1 3.87Å; F604-F649 HydrophobicContact CG-CE1 4.34Å; F604-F649 HydrophobicContact CG-CG 4.28Å; S645-F649 PolarHBondContact O-N 2.81Å; S645-F649 VanDerWaalsContact O-N 3.08Å; F649-S651 PolarHBondContact O-N 3.48Å; F649-L652 PolarHBondContact O-N 3.1Å; F649-A653 HydrophobicContact CE1-CB 4.33Å; F649-A653 HydrophobicContact CZ-CB 4.34Å; F649-A653 VanDerWaalsContact O-CB 3.28Å; F649-A653 WeakPolarHBondContact O-CB 3.47Å; F649-A653 PolarHBondContact O-N 3.43Å
650	H	95.8	Very high	95.7	Very high	9 Å²	9	21.9 Å²	21.9	4%	0.042	11%	0.11	C	C	.	.	H	α-helix	trans	-57.6	-47.9	179.4	-178.9	-99.7	0	0	0	112	Y48 D597 I600 G646 L648 L652 I654	Y48-H650 HydrophobicContact CD1-CB 3.78Å; Y48-H650 AromaticContact CD1-CG 3.75Å; Y48-H650 AromaticContact CD1-ND1 3.81Å; Y48-H650 HydrophobicContact CE1-CB 4.26Å; Y48-H650 AromaticContact CE1-CG 3.9Å; Y48-H650 AromaticContact CE1-ND1 3.45Å; Y48-H650 WeakPolarHBondContact CE1-ND1 3.48Å; D597-H650 PolarHBondContact N-NE2 3.05Å; D597-H650 PolarHBondContact O-NE2 2.59Å; I600-H650 HydrophobicContact CG2-CB 4.42Å; G646-H650 WeakPolarHBondContact O-CB 3.47Å; G646-H650 PolarHBondContact O-N 3.12Å; L648-H650 PolarHBondContact O-N 3.38Å; H650-L652 PolarHBondContact O-N 3.07Å; H650-I654 WeakPolarHBondContact CE1-CD1 3.45Å; H650-I654 WeakPolarHBondContact O-CG1 3.39Å; H650-I654 PolarHBondContact O-N 3.29Å
651	S	95.9	Very high	95.5	Very high	12 Å²	12	23.8 Å²	23.8	8%	0.084	13%	0.125	C	C	.	.	H	α-helix	trans	-66.7	-38	-178.5	-53.7	0	0	0	0	112.3	H647 L648 F649 D655	H647-S651 VanDerWaalsContact O-CB 3.29Å; H647-S651 WeakPolarHBondContact O-CB 3.48Å; H647-S651 PolarHBondContact O-N 3.2Å; H647-S651 PolarHBondContact O-OG 2.88Å; L648-S651 PolarHBondContact O-N 2.86Å; F649-S651 PolarHBondContact O-N 3.48Å; S651-D655 PolarHBondContact O-N 2.98Å
652	L	97.9	Very high	95.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-72.7	-43.9	178.4	179.1	64.4	0	0	0	111.8	A550 I554 L580 L648 F649 H650 I654 D655 I656 W672 L676	A550-L652 HydrophobicContact CB-CD2 3.95Å; A550-L652 HydrophobicContact CB-CG 4.11Å; I554-L652 HydrophobicContact CD1-CD2 3.82Å; I554-L652 HydrophobicContact CG1-CD2 3.83Å; L580-L652 HydrophobicContact CD1-CB 4.37Å; L648-L652 VanDerWaalsContact O-CB 3.26Å; L648-L652 WeakPolarHBondContact O-CB 3.16Å; L648-L652 PolarHBondContact O-N 2.91Å; F649-L652 PolarHBondContact O-N 3.1Å; H650-L652 PolarHBondContact O-N 3.07Å; L652-I654 PolarHBondContact O-N 3.45Å; L652-D655 PolarHBondContact O-N 3.29Å; L652-D655 VanDerWaalsContact O-N 3.07Å; L652-I656 HydrophobicContact CD1-CD1 4.02Å; L652-I656 HydrophobicContact CD1-CG1 4.25Å; L652-I656 HydrophobicContact CD2-CD1 4.36Å; L652-I656 HydrophobicContact CG-CD1 3.8Å; L652-I656 HydrophobicContact CG-CG1 4.41Å; L652-I656 WeakPolarHBondContact O-CG1 3.18Å; L652-I656 PolarHBondContact O-N 3.1Å; L652-W672 HydrophobicContact CD1-CB 4.13Å; L652-W672 HydrophobicContact CD1-CD2 3.6Å; L652-W672 HydrophobicContact CD1-CE3 4.09Å; L652-W672 HydrophobicContact CD1-CG 3.6Å; L652-L676 HydrophobicContact CD2-CD1 3.82Å; L652-L676 HydrophobicContact CD2-CD2 4.31Å
653	A	96.9	Very high	95.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.8	-42.5	179.7	0	0	0	0	0	111.7	I547 A550 I600 F649 D655 I656 E657	I547-A653 HydrophobicContact CD1-CB 4.43Å; A550-A653 HydrophobicContact CB-CB 4.12Å; I600-A653 HydrophobicContact CD1-CB 4.29Å; I600-A653 HydrophobicContact CG2-CB 3.7Å; F649-A653 HydrophobicContact CE1-CB 4.33Å; F649-A653 HydrophobicContact CZ-CB 4.34Å; F649-A653 VanDerWaalsContact O-CB 3.28Å; F649-A653 WeakPolarHBondContact O-CB 3.47Å; F649-A653 PolarHBondContact O-N 3.43Å; A653-D655 VanDerWaalsContact C-N 3.31Å; A653-D655 PolarHBondContact O-N 3.34Å; A653-I656 PolarHBondContact O-N 3.29Å; A653-E657 VanDerWaalsContact O-CB 3.3Å; A653-E657 WeakPolarHBondContact O-CB 3.38Å; A653-E657 PolarHBondContact O-N 2.85Å
654	I	95	Very high	95.3	Very high	29 Å²	29	33.2 Å²	33.2	15%	0.149	17%	0.172	C	C	.	.	H	α-helix	trans	-59.6	-41.2	172.6	-69.6	178.6	0	0	0	111.3	L584 I600 H650 L652 E657 S658	L584-I654 HydrophobicContact CD1-CG2 3.68Å; L584-I654 HydrophobicContact CD2-CD1 4.13Å; L584-I654 HydrophobicContact CD2-CG2 4.02Å; L584-I654 HydrophobicContact CG-CG2 4.48Å; I600-I654 HydrophobicContact CD1-CB 4.5Å; I600-I654 HydrophobicContact CD1-CD1 4.32Å; I600-I654 HydrophobicContact CD1-CG1 3.4Å; H650-I654 WeakPolarHBondContact CE1-CD1 3.45Å; H650-I654 WeakPolarHBondContact O-CG1 3.39Å; H650-I654 PolarHBondContact O-N 3.29Å; L652-I654 PolarHBondContact O-N 3.45Å; I654-E657 PolarHBondContact O-N 3.12Å; I654-S658 PolarHBondContact O-N 2.98Å; I654-S658 VanDerWaalsContact O-N 3.07Å
655	D	95.6	Very high	95.3	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-68.1	-40.2	179.1	-166.2	66.1	0	0	0	112.5	L580 K583 R587 S651 L652 A653 S658 L659 W672	L580-D655 HydrophobicContact CD2-CB 3.76Å; K583-D655 WeakPolarHBondContact CD-OD1 3.5Å; K583-D655 WeakPolarHBondContact CE-OD1 3.36Å; K583-D655 IonicContact NZ-OD1 3.2Å; K583-D655 PolarHBondContact NZ-OD1 3.02Å; K583-D655 IonicContact NZ-OD2 2.59Å; K583-D655 PolarHBondContact NZ-OD2 3.34Å; R587-D655 IonicContact CZ-OD1 3.7Å; R587-D655 IonicContact NH1-OD1 2.71Å; R587-D655 PolarHBondContact NH1-OD1 3.46Å; R587-D655 IonicContact NH2-OD1 2.62Å; R587-D655 PolarHBondContact NH2-OD1 2.85Å; S651-D655 PolarHBondContact O-N 2.98Å; L652-D655 PolarHBondContact O-N 3.29Å; L652-D655 VanDerWaalsContact O-N 3.07Å; A653-D655 VanDerWaalsContact C-N 3.31Å; A653-D655 PolarHBondContact O-N 3.34Å; D655-S658 PolarHBondContact O-N 3.41Å; D655-S658 PolarHBondContact O-OG 3.06Å; D655-L659 WeakPolarHBondContact O-CG 3.38Å; D655-W672 HydrophobicContact CB-CZ2 4.34Å; D655-W672 WeakPolarHBondContact OD2-CZ2 3.21Å; D655-W672 PolarHBondContact OD2-NE1 3.41Å
656	I	96.2	Very high	95.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-67.8	-39.8	176	-61.3	166.9	0	0	0	110.5	P546 L549 A550 L652 A653 S658 L659 R664 T668	P546-I656 HydrophobicContact CB-CB 4Å; P546-I656 HydrophobicContact CB-CG2 3.87Å; L549-I656 HydrophobicContact CB-CD1 4.16Å; L549-I656 HydrophobicContact CB-CG2 4.44Å; L549-I656 HydrophobicContact CD1-CG2 3.75Å; A550-I656 HydrophobicContact CB-CD1 4.14Å; L652-I656 HydrophobicContact CD1-CD1 4.02Å; L652-I656 HydrophobicContact CD1-CG1 4.25Å; L652-I656 HydrophobicContact CD2-CD1 4.36Å; L652-I656 HydrophobicContact CG-CD1 3.8Å; L652-I656 HydrophobicContact CG-CG1 4.41Å; L652-I656 WeakPolarHBondContact O-CG1 3.18Å; L652-I656 PolarHBondContact O-N 3.1Å; A653-I656 PolarHBondContact O-N 3.29Å; I656-S658 VanDerWaalsContact C-N 3.26Å; I656-S658 PolarHBondContact O-N 2.89Å; I656-L659 VanDerWaalsContact O-CB 3.31Å; I656-L659 WeakPolarHBondContact O-CB 3.4Å; I656-L659 WeakPolarHBondContact O-CG 3.41Å; I656-L659 PolarHBondContact O-N 2.74Å; I656-R664 HydrophobicContact CG2-CB 3.84Å; I656-R664 HydrophobicContact CG2-CG 3.87Å; I656-R664 WeakPolarHBondContact O-CG 3.3Å; I656-R664 PolarHBondContact O-NE 3.33Å; I656-T668 HydrophobicContact CD1-CG2 3.9Å; I656-T668 WeakPolarHBondContact CD1-OG1 3.43Å
657	E	93.7	Very high	95.4	Very high	97 Å²	97	42.7 Å²	42.7	45%	0.453	21%	0.21	S	C	.	.	H	α-helix	trans	-60.5	-36.5	176.5	-175.6	167.1	-124.8	0	0	112.1	P546 A653 I654 L659 R664	P546-E657 HydrophobicContact CB-CB 3.96Å; P546-E657 HydrophobicContact CG-CB 3.95Å; P546-E657 HydrophobicContact CG-CG 4.34Å; A653-E657 VanDerWaalsContact O-CB 3.3Å; A653-E657 WeakPolarHBondContact O-CB 3.38Å; A653-E657 PolarHBondContact O-N 2.85Å; I654-E657 PolarHBondContact O-N 3.12Å; E657-L659 PolarHBondContact O-N 3.45Å; E657-L659 VanDerWaalsContact O-N 3.14Å; E657-R664 PolarHBondContact O-NH2 2.96Å
658	S	92.6	Very high	95.5	Very high	60 Å²	60	41.8 Å²	41.8	42%	0.42	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-6.6	175.4	79.7	0	0	0	0	115.2	R587 I654 D655 I656	R587-S658 VanDerWaalsContact CZ-OG 3.22Å; R587-S658 PolarHBondContact NH1-OG 2.83Å; R587-S658 PolarHBondContact NH2-OG 3.17Å; I654-S658 PolarHBondContact O-N 2.98Å; I654-S658 VanDerWaalsContact O-N 3.07Å; D655-S658 PolarHBondContact O-N 3.41Å; D655-S658 PolarHBondContact O-OG 3.06Å; I656-S658 VanDerWaalsContact C-N 3.26Å; I656-S658 PolarHBondContact O-N 2.89Å
659	L	94.1	Very high	95.5	Very high	29 Å²	29	42.6 Å²	42.6	15%	0.152	21%	0.21	C	C	.	.	S	Bend	trans	-90.6	150.6	174.5	-50.1	172.5	0	0	0	110.6	D655 I656 E657 R664 L667	D655-L659 WeakPolarHBondContact O-CG 3.38Å; I656-L659 VanDerWaalsContact O-CB 3.31Å; I656-L659 WeakPolarHBondContact O-CB 3.4Å; I656-L659 WeakPolarHBondContact O-CG 3.41Å; I656-L659 PolarHBondContact O-N 2.74Å; E657-L659 PolarHBondContact O-N 3.45Å; E657-L659 VanDerWaalsContact O-N 3.14Å; L659-R664 HydrophobicContact CB-CG 3.97Å; L659-R664 PolarHBondContact O-NE 3.35Å; L659-R664 PolarHBondContact O-NH2 2.85Å; L659-L667 HydrophobicContact CD1-CB 3.91Å; L659-L667 HydrophobicContact CD1-CD1 3.93Å; L659-L667 HydrophobicContact CD2-CD1 3.95Å; L659-L667 HydrophobicContact CG-CD1 4.47Å
660	K	94	Very high	95.4	Very high	148 Å²	148	51.5 Å²	51.5	64%	0.643	24%	0.244	S	C	*	.			trans	-53.5	139.9	166	-64	-178.6	177.7	-176.7	0	109.7	D662 D663 R664	K660-D662 PolarHBondContact O-N 3.24Å; K660-D663 HydrophobicContact CB-CB 4.38Å; K660-D663 WeakPolarHBondContact O-CB 3.29Å; K660-D663 PolarHBondContact O-N 2.82Å; K660-R664 WeakPolarHBondContact O-CG 3.42Å; K660-R664 PolarHBondContact O-N 2.95Å
661	P	91.9	Very high	95.4	Very high	58 Å²	58	54.7 Å²	54.7	38%	0.377	26%	0.256	S	S	.	.	H	α-helix	trans	-45.1	-56.8	-178.3	-31.1	36.7	0	0	0	113.6	N544 D663 R664	N544-P661 HydrophobicContact CB-CB 4.4Å; N544-P661 WeakPolarHBondContact OD1-CB 3.37Å; N544-P661 PolarHBondContact OD1-O 2.88Å; P661-D663 PolarHBondContact O-N 3.15Å; P661-R664 VanDerWaalsContact O-CB 3.22Å; P661-R664 WeakPolarHBondContact O-CB 3.3Å; P661-R664 WeakPolarHBondContact O-CG 3.31Å; P661-R664 PolarHBondContact O-N 3.2Å
662	D	92	Very high	95.5	Very high	135 Å²	135	54.2 Å²	54.2	72%	0.722	25%	0.252	S	S	*	.	H	α-helix	trans	-58.6	-23.1	-177.3	-32.5	-48.1	0	0	0	114.2	K660	K660-D662 PolarHBondContact O-N 3.24Å
663	D	95.4	Very high	95.4	Very high	46 Å²	46	54.3 Å²	54.3	25%	0.246	25%	0.253	C	S	.	.	H	α-helix	trans	-87.1	-18.4	176.5	-78.5	-46.5	0	0	0	113.2	K660 P661 R666 L667	K660-D663 HydrophobicContact CB-CB 4.38Å; K660-D663 WeakPolarHBondContact O-CB 3.29Å; K660-D663 PolarHBondContact O-N 2.82Å; P661-D663 PolarHBondContact O-N 3.15Å; D663-R666 PolarHBondContact O-N 2.7Å; D663-R666 IonicContact OD1-CZ 3.37Å; D663-R666 IonicContact OD1-NE 3.26Å; D663-R666 PolarHBondContact OD1-NE 2.78Å; D663-R666 IonicContact OD1-NH2 2.66Å; D663-R666 PolarHBondContact OD1-NH2 3.27Å; D663-L667 HydrophobicContact CB-CD1 4Å; D663-L667 HydrophobicContact CB-CG 4.4Å; D663-L667 VanDerWaalsContact O-CB 3.29Å; D663-L667 WeakPolarHBondContact O-CB 3.18Å; D663-L667 WeakPolarHBondContact O-CG 3.32Å; D663-L667 PolarHBondContact O-N 2.7Å
664	R	96.3	Very high	95.3	Very high	41 Å²	41	56.1 Å²	56.1	16%	0.155	26%	0.264	C	S	.	.	H	α-helix	trans	-61.6	-54.4	-170	-70.7	178.4	180	173.1	-4.3	112.7	N544 L549 I656 E657 L659 K660 P661 T668	N544-R664 WeakPolarHBondContact O-CD 3.43Å; N544-R664 PolarHBondContact O-NH1 3.34Å; L549-R664 HydrophobicContact CD1-CB 3.57Å; I656-R664 HydrophobicContact CG2-CB 3.84Å; I656-R664 HydrophobicContact CG2-CG 3.87Å; I656-R664 WeakPolarHBondContact O-CG 3.3Å; I656-R664 PolarHBondContact O-NE 3.33Å; E657-R664 PolarHBondContact O-NH2 2.96Å; L659-R664 HydrophobicContact CB-CG 3.97Å; L659-R664 PolarHBondContact O-NE 3.35Å; L659-R664 PolarHBondContact O-NH2 2.85Å; K660-R664 WeakPolarHBondContact O-CG 3.42Å; K660-R664 PolarHBondContact O-N 2.95Å; P661-R664 VanDerWaalsContact O-CB 3.22Å; P661-R664 WeakPolarHBondContact O-CB 3.3Å; P661-R664 WeakPolarHBondContact O-CG 3.31Å; P661-R664 PolarHBondContact O-N 3.2Å; R664-T668 VanDerWaalsContact O-CB 3.3Å; R664-T668 WeakPolarHBondContact O-CB 3.46Å; R664-T668 PolarHBondContact O-N 2.99Å; R664-T668 PolarHBondContact O-OG1 3.3Å
665	Y	96.5	Very high	95.3	Very high	47 Å²	47	59.4 Å²	59.4	18%	0.184	28%	0.275	C	S	.	.	H	α-helix	trans	-58.1	-53.6	176.3	179.2	-106.1	0	0	0	111.5	L543 L549 L667 T668 L669 Y697 E698 I701	L543-Y665 HydrophobicContact CB-CD2 4.48Å; L543-Y665 HydrophobicContact CB-CG 4.42Å; L543-Y665 HydrophobicContact CD2-CD1 4.15Å; L543-Y665 HydrophobicContact CD2-CD2 3.23Å; L543-Y665 HydrophobicContact CD2-CE1 4.27Å; L543-Y665 HydrophobicContact CD2-CE2 3.34Å; L543-Y665 HydrophobicContact CD2-CG 3.64Å; L543-Y665 HydrophobicContact CG-CD2 4.44Å; L543-Y665 WeakPolarHBondContact O-CB 3.41Å; L543-Y665 PolarHBondContact O-N 3.4Å; L549-Y665 HydrophobicContact CD2-CD2 3.85Å; Y665-L667 VanDerWaalsContact C-N 3.34Å; Y665-L667 PolarHBondContact O-N 3.02Å; Y665-T668 PolarHBondContact O-N 3.03Å; Y665-L669 HydrophobicContact CE1-CD2 4.03Å; Y665-L669 WeakPolarHBondContact O-CB 3.28Å; Y665-L669 PolarHBondContact O-N 3.22Å; Y665-Y697 HydrophobicContact CD2-CE1 4.1Å; Y665-Y697 HydrophobicContact CE2-CD1 4.43Å; Y665-Y697 AromaticContact CE2-CE1 3.65Å; Y665-Y697 HydrophobicContact CE2-CE1 3.65Å; Y665-E698 WeakPolarHBondContact OH-CB 3.48Å; Y665-E698 VanDerWaalsContact OH-CD 3.28Å; Y665-E698 WeakPolarHBondContact OH-CG 3.47Å; Y665-E698 PolarHBondContact OH-OE1 3.38Å; Y665-I701 HydrophobicContact CD2-CD1 4.25Å; Y665-I701 HydrophobicContact CE2-CD1 3.87Å; Y665-I701 HydrophobicContact CE2-CG2 4.35Å
666	R	96.5	Very high	95.4	Very high	114 Å²	114	59.3 Å²	59.3	43%	0.43	27%	0.274	S	S	.	.	H	α-helix	trans	-57.6	-43.2	-175.3	-173.4	-174.9	68.2	77.6	-3.4	112.5	D663 R670	D663-R666 PolarHBondContact O-N 2.7Å; D663-R666 IonicContact OD1-CZ 3.37Å; D663-R666 IonicContact OD1-NE 3.26Å; D663-R666 PolarHBondContact OD1-NE 2.78Å; D663-R666 IonicContact OD1-NH2 2.66Å; D663-R666 PolarHBondContact OD1-NH2 3.27Å; R666-R670 VanDerWaalsContact O-CB 3.3Å; R666-R670 WeakPolarHBondContact O-CB 3.27Å; R666-R670 WeakPolarHBondContact O-CG 3.36Å; R666-R670 PolarHBondContact O-N 3.21Å
667	L	97.3	Very high	95.4	Very high	44 Å²	44	59.4 Å²	59.4	23%	0.23	28%	0.275	C	S	.	.	H	α-helix	trans	-80.7	-32	178	-67.2	179.8	0	0	0	112.4	L659 D663 Y665 Y671 W672	L659-L667 HydrophobicContact CD1-CB 3.91Å; L659-L667 HydrophobicContact CD1-CD1 3.93Å; L659-L667 HydrophobicContact CD2-CD1 3.95Å; L659-L667 HydrophobicContact CG-CD1 4.47Å; D663-L667 HydrophobicContact CB-CD1 4Å; D663-L667 HydrophobicContact CB-CG 4.4Å; D663-L667 VanDerWaalsContact O-CB 3.29Å; D663-L667 WeakPolarHBondContact O-CB 3.18Å; D663-L667 WeakPolarHBondContact O-CG 3.32Å; D663-L667 PolarHBondContact O-N 2.7Å; Y665-L667 VanDerWaalsContact C-N 3.34Å; Y665-L667 PolarHBondContact O-N 3.02Å; L667-Y671 WeakPolarHBondContact O-CA 3.3Å; L667-Y671 WeakPolarHBondContact O-CB 3.4Å; L667-Y671 PolarHBondContact O-N 2.92Å; L667-W672 PolarHBondContact O-N 2.9Å; L667-W672 VanDerWaalsContact O-N 3.08Å
668	T	97.7	Very high	95.3	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	26%	0.257	C	S	.	.	I	π-helix	trans	-61.7	-48.1	172.6	-54.6	0	0	0	0	110.3	L549 A553 I656 R664 Y665 W672 L673 Y697	L549-T668 HydrophobicContact CB-CG2 4.16Å; A553-T668 HydrophobicContact CB-CG2 3.79Å; I656-T668 HydrophobicContact CD1-CG2 3.9Å; I656-T668 WeakPolarHBondContact CD1-OG1 3.43Å; R664-T668 VanDerWaalsContact O-CB 3.3Å; R664-T668 WeakPolarHBondContact O-CB 3.46Å; R664-T668 PolarHBondContact O-N 2.99Å; R664-T668 PolarHBondContact O-OG1 3.3Å; Y665-T668 PolarHBondContact O-N 3.03Å; T668-W672 CarbonylContact O-C 3.59Å; T668-W672 WeakPolarHBondContact O-CB 3.44Å; T668-W672 PolarHBondContact O-N 3.42Å; T668-L673 PolarHBondContact O-N 3.17Å; T668-Y697 WeakPolarHBondContact CB-OH 3.42Å; T668-Y697 HydrophobicContact CG2-CE2 4.16Å; T668-Y697 VanDerWaalsContact CG2-OH 3.29Å; T668-Y697 WeakPolarHBondContact CG2-OH 3.49Å
669	L	96.8	Very high	95	Very high	17 Å²	17	56 Å²	56	9%	0.089	25%	0.253	C	S	.	.	I	π-helix	trans	-63.6	-53	176.6	178.9	56.2	0	0	0	113.1	Y665 L673 A694 Y697 E698	Y665-L669 HydrophobicContact CE1-CD2 4.03Å; Y665-L669 WeakPolarHBondContact O-CB 3.28Å; Y665-L669 PolarHBondContact O-N 3.22Å; L669-L673 HydrophobicContact CD1-CD2 4.07Å; L669-L673 VanDerWaalsContact O-CB 3.31Å; L669-L673 WeakPolarHBondContact O-CB 3.44Å; L669-A694 HydrophobicContact CD1-CB 3.73Å; L669-Y697 HydrophobicContact CB-CD1 4.46Å; L669-Y697 HydrophobicContact CB-CE1 3.99Å; L669-Y697 HydrophobicContact CD1-CD1 3.77Å; L669-Y697 HydrophobicContact CD1-CE1 4.18Å; L669-E698 HydrophobicContact CD1-CG 4.24Å; L669-E698 HydrophobicContact CD2-CG 3.94Å; L669-E698 WeakPolarHBondContact CD2-OE1 3.43Å
670	R	95.6	Very high	94.2	Very high	192 Å²	192	58.2 Å²	58.2	73%	0.725	27%	0.269	S	S	*	.	I	π-helix	trans	-92.7	-17.1	-169.9	-60.5	-173.2	179.3	-168.6	0.7	115.5	R666	R666-R670 VanDerWaalsContact O-CB 3.3Å; R666-R670 WeakPolarHBondContact O-CB 3.27Å; R666-R670 WeakPolarHBondContact O-CG 3.36Å; R666-R670 PolarHBondContact O-N 3.21Å
671	Y	96	Very high	93.5	Very high	76 Å²	76	58.9 Å²	58.9	30%	0.298	27%	0.272	S	S	.	.	I	π-helix	trans	-114.3	-42.7	179.7	-179.8	-81.4	0	0	0	112.7	L667 R675	L667-Y671 WeakPolarHBondContact O-CA 3.3Å; L667-Y671 WeakPolarHBondContact O-CB 3.4Å; L667-Y671 PolarHBondContact O-N 2.92Å; Y671-R675 VanDerWaalsContact CE2-CZ 3.44Å; Y671-R675 WeakPolarHBondContact O-CD 3.33Å; Y671-R675 WeakPolarHBondContact O-CG 3.38Å; Y671-R675 PolarHBondContact O-NH1 2.66Å
672	W	97.3	Very high	92.9	Very high	2 Å²	2	64.2 Å²	64.2	1%	0.008	30%	0.296	C	S	.	.	I	π-helix	trans	-88	-43.4	-176	-79	122.8	0	0	0	114.4	F579 L580 L652 D655 L667 T668 R675 L676	F579-W672 AromaticContact CD1-CH2 3.88Å; F579-W672 HydrophobicContact CD1-CH2 3.88Å; F579-W672 HydrophobicContact CD1-CZ3 4.38Å; F579-W672 AromaticContact CE1-CH2 3.65Å; F579-W672 HydrophobicContact CE1-CH2 3.65Å; F579-W672 HydrophobicContact CE1-CZ3 4.31Å; L580-W672 HydrophobicContact CD1-CH2 4.42Å; L580-W672 HydrophobicContact CD2-CH2 3.32Å; L580-W672 HydrophobicContact CD2-CZ2 3.42Å; L580-W672 VanDerWaalsContact CD2-CZ2 3.42Å; L580-W672 HydrophobicContact CD2-CZ3 4.21Å; L580-W672 HydrophobicContact CG-CH2 3.81Å; L580-W672 HydrophobicContact CG-CZ2 4.39Å; L580-W672 HydrophobicContact CG-CZ3 4.39Å; L652-W672 HydrophobicContact CD1-CB 4.13Å; L652-W672 HydrophobicContact CD1-CD2 3.6Å; L652-W672 HydrophobicContact CD1-CE3 4.09Å; L652-W672 HydrophobicContact CD1-CG 3.6Å; D655-W672 HydrophobicContact CB-CZ2 4.34Å; D655-W672 WeakPolarHBondContact OD2-CZ2 3.21Å; D655-W672 PolarHBondContact OD2-NE1 3.41Å; L667-W672 PolarHBondContact O-N 2.9Å; L667-W672 VanDerWaalsContact O-N 3.08Å; T668-W672 CarbonylContact O-C 3.59Å; T668-W672 WeakPolarHBondContact O-CB 3.44Å; T668-W672 PolarHBondContact O-N 3.42Å; W672-R675 HydrophobicContact CE3-CB 4.09Å; W672-R675 HydrophobicContact CZ3-CB 4.37Å; W672-R675 WeakPolarHBondContact O-CA 3.31Å; W672-R675 WeakPolarHBondContact O-CB 3.49Å; W672-R675 PolarHBondContact O-N 3.38Å; W672-L676 HydrophobicContact CB-CD1 4.31Å; W672-L676 WeakPolarHBondContact O-CG 3.28Å; W672-L676 PolarHBondContact O-N 3.01Å
673	L	96.4	Very high	92.6	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-53.6	-44.3	178	-149.3	76.1	0	0	0	113	A553 T557 T668 L669 R675 L676 Y677 L693 A694 Y697	A553-L673 HydrophobicContact CB-CD1 3.94Å; T557-L673 HydrophobicContact CG2-CD1 3.58Å; T557-L673 HydrophobicContact CG2-CG 3.8Å; T668-L673 PolarHBondContact O-N 3.17Å; L669-L673 HydrophobicContact CD1-CD2 4.07Å; L669-L673 VanDerWaalsContact O-CB 3.31Å; L669-L673 WeakPolarHBondContact O-CB 3.44Å; L673-R675 PolarHBondContact O-N 3.42Å; L673-L676 PolarHBondContact O-N 2.9Å; L673-Y677 PolarHBondContact O-N 2.91Å; L673-Y677 VanDerWaalsContact O-N 3.08Å; L673-L693 HydrophobicContact CD2-CB 4.19Å; L673-A694 HydrophobicContact CD2-CB 4.35Å; L673-Y697 HydrophobicContact CD1-CD2 3.81Å; L673-Y697 HydrophobicContact CD1-CE2 4.42Å; L673-Y697 HydrophobicContact CD1-CG 4.2Å; L673-Y697 HydrophobicContact CD2-CG 4.31Å
674	P	94.4	Very high	92.3	Very high	38 Å²	38	62.5 Å²	62.5	25%	0.247	30%	0.297	C	S	.	.	H	α-helix	trans	-70.3	-12.8	176.1	-17.4	32.3	0	0	0	115	L690	P674-L690 HydrophobicContact CB-CD1 4.04Å; P674-L690 HydrophobicContact CB-CD2 3.88Å; P674-L690 HydrophobicContact CG-CD1 4.09Å; P674-L690 HydrophobicContact CG-CD2 4.14Å
675	R	96.1	Very high	91.9	Very high	99 Å²	99	64.6 Å²	64.6	37%	0.374	31%	0.309	S	S	.	.	H	α-helix	trans	-96.3	-33.9	176.2	-73	175.5	171.3	67.4	7.8	112	H572 L576 Y671 W672 L673	H572-R675 PolarHBondContact CE1-O 2.96Å; H572-R675 PolarHBondContact NE2-O 3.26Å; L576-R675 WeakPolarHBondContact CD1-O 3.47Å; L576-R675 HydrophobicContact CD2-CB 4.42Å; Y671-R675 VanDerWaalsContact CE2-CZ 3.44Å; Y671-R675 WeakPolarHBondContact O-CD 3.33Å; Y671-R675 WeakPolarHBondContact O-CG 3.38Å; Y671-R675 PolarHBondContact O-NH1 2.66Å; W672-R675 HydrophobicContact CE3-CB 4.09Å; W672-R675 HydrophobicContact CZ3-CB 4.37Å; W672-R675 WeakPolarHBondContact O-CA 3.31Å; W672-R675 WeakPolarHBondContact O-CB 3.49Å; W672-R675 PolarHBondContact O-N 3.38Å; L673-R675 PolarHBondContact O-N 3.42Å
676	L	97.3	Very high	91.4	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-70.8	-32.9	174.5	-70.8	163.4	0	0	0	111.6	A553 I554 T557 N561 H572 L576 L648 L652 W672 L673	A553-L676 HydrophobicContact CB-CD1 3.71Å; I554-L676 HydrophobicContact CG1-CD1 4.5Å; I554-L676 HydrophobicContact CG1-CD2 4.19Å; T557-L676 HydrophobicContact CG2-CB 3.9Å; T557-L676 WeakPolarHBondContact OG1-CB 3.34Å; N561-L676 PolarHBondContact ND2-O 3.44Å; H572-L676 PolarHBondContact NE2-O 2.86Å; L576-L676 HydrophobicContact CD1-CD2 3.95Å; L648-L676 HydrophobicContact CD1-CD2 4.17Å; L648-L676 HydrophobicContact CD2-CD2 4.06Å; L648-L676 HydrophobicContact CG-CD2 4.37Å; L652-L676 HydrophobicContact CD2-CD1 3.82Å; L652-L676 HydrophobicContact CD2-CD2 4.31Å; W672-L676 HydrophobicContact CB-CD1 4.31Å; W672-L676 WeakPolarHBondContact O-CG 3.28Å; W672-L676 PolarHBondContact O-N 3.01Å; L673-L676 PolarHBondContact O-N 2.9Å
677	Y	95.6	Very high	91	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.008	31%	0.307	C	S	.	.	S	Bend	trans	-75.3	129.9	171.2	-175.4	-128	0	0	0	112	F560 N561 E564 L673 I679 F686 K689 L693	F560-Y677 HydrophobicContact CB-CD2 4.34Å; F560-Y677 HydrophobicContact CB-CE2 3.99Å; N561-Y677 WeakPolarHBondContact OD1-CD2 3.37Å; E564-Y677 PolarHBondContact OE1-OH 3.33Å; L673-Y677 PolarHBondContact O-N 2.91Å; L673-Y677 VanDerWaalsContact O-N 3.08Å; Y677-I679 HydrophobicContact CD1-CG1 3.75Å; Y677-I679 HydrophobicContact CE1-CG1 4.06Å; Y677-I679 PolarHBondContact O-N 3.17Å; Y677-I679 VanDerWaalsContact O-N 3.12Å; Y677-F686 AromaticContact CE1-CD1 3.94Å; Y677-F686 HydrophobicContact CE1-CD1 3.94Å; Y677-F686 AromaticContact CZ-CD1 3.96Å; Y677-F686 WeakPolarHBondContact OH-CD1 3.12Å; Y677-F686 WeakPolarHBondContact OH-CE1 3.47Å; Y677-K689 HydrophobicContact CE1-CB 4.17Å; Y677-K689 WeakPolarHBondContact OH-CD 3.44Å; Y677-L693 HydrophobicContact CD1-CD1 3.64Å; Y677-L693 HydrophobicContact CD2-CD1 3.55Å; Y677-L693 HydrophobicContact CE1-CD1 4.13Å; Y677-L693 HydrophobicContact CE2-CD1 4.11Å; Y677-L693 HydrophobicContact CG-CD1 3.34Å
678	R	91.7	Very high	90.7	Very high	23 Å²	23	64.6 Å²	64.6	9%	0.087	33%	0.326	C	S	.	.			trans	-86.9	74.2	-171.9	-173.1	-172.1	48.9	48.5	6.8	111.5	N561 E564 K568 T569 H572 P680	N561-R678 PolarHBondContact O-NH2 2.86Å; N561-R678 WeakPolarHBondContact OD1-CB 3.48Å; N561-R678 PolarHBondContact OD1-N 2.94Å; E564-R678 IonicContact OE2-CZ 2.93Å; E564-R678 IonicContact OE2-NH1 2.88Å; E564-R678 PolarHBondContact OE2-NH1 2.84Å; E564-R678 IonicContact OE2-NH2 2.59Å; E564-R678 PolarHBondContact OE2-NH2 2.98Å; K568-R678 WeakPolarHBondContact O-CD 3.41Å; T569-R678 PolarHBondContact OG1-NE 3.23Å; H572-R678 HydrophobicContact CB-CB 4.39Å; H572-R678 HydrophobicContact CB-CG 3.87Å; R678-P680 WeakPolarHBondContact O-CD 3.32Å
679	I	86.4	Confident	90.3	Very high	63 Å²	63	66.9 Å²	66.9	32%	0.323	34%	0.335	S	S	.	.			trans	-64.5	112.6	177.7	-58.4	174	0	0	0	110.2	Y677 K681 L682 F686	Y677-I679 HydrophobicContact CD1-CG1 3.75Å; Y677-I679 HydrophobicContact CE1-CG1 4.06Å; Y677-I679 PolarHBondContact O-N 3.17Å; Y677-I679 VanDerWaalsContact O-N 3.12Å; I679-K681 VanDerWaalsContact CG2-O 3.23Å; I679-K681 WeakPolarHBondContact CG2-O 3.21Å; I679-L682 HydrophobicContact CG2-CD2 4.25Å; I679-F686 HydrophobicContact CG2-CB 4.21Å; I679-F686 HydrophobicContact CG2-CG 4.31Å
680	P	77.3	Confident	90.1	Very high	75 Å²	75	68.1 Å²	68.1	49%	0.487	34%	0.342	S	S	.	.			trans	-88.9	-25.7	-178.2	12.3	3.7	0	0	0	113.4	R678 F686	R678-P680 WeakPolarHBondContact O-CD 3.32Å; P680-F686 HydrophobicContact CG-CE1 3.76Å; P680-F686 HydrophobicContact CG-CE2 4.16Å; P680-F686 HydrophobicContact CG-CZ 3.52Å
681	K	79.2	Confident	89.9	Confident	162 Å²	162	64.8 Å²	64.8	70%	0.704	34%	0.335	S	S	*	.	S	Bend	trans	-147.1	150.8	175.8	-65.6	-174.6	-179.5	179	0	108.4	I679 N683 F686	I679-K681 VanDerWaalsContact CG2-O 3.23Å; I679-K681 WeakPolarHBondContact CG2-O 3.21Å; K681-N683 PolarHBondContact O-N 2.99Å; K681-F686 HydrophobicContact CB-CE2 4.44Å; K681-F686 WeakPolarHBondContact O-CD2 3.29Å
682	L	79.5	Confident	89.8	Confident	171 Å²	171	65.6 Å²	65.6	90%	0.895	34%	0.34	S	S	*	.			trans	-86.2	108	171.2	-67.3	165.2	0	0	0	108.9	I679	I679-L682 HydrophobicContact CG2-CD2 4.25Å
683	N	85.9	Confident	89.6	Confident	71 Å²	71	65.5 Å²	65.5	38%	0.38	34%	0.339	S	S	.	.	S	Bend	trans	-144.5	176.2	172.4	77.8	5.4	0	0	0	110.1	K681 E685 F686 A687	K681-N683 PolarHBondContact O-N 2.99Å; N683-E685 VanDerWaalsContact C-N 3.34Å; N683-E685 PolarHBondContact O-N 3.03Å; N683-E685 WeakPolarHBondContact OD1-CA 3.48Å; N683-E685 VanDerWaalsContact OD1-CB 3.27Å; N683-E685 WeakPolarHBondContact OD1-CB 3.45Å; N683-E685 PolarHBondContact OD1-N 3.08Å; N683-F686 WeakPolarHBondContact OD1-CD2 3.47Å; N683-F686 PolarHBondContact OD1-N 3.44Å; N683-A687 PolarHBondContact O-N 2.83Å
684	A	88.1	Confident	89.6	Confident	73 Å²	73	66.6 Å²	66.6	60%	0.603	35%	0.349	S	S	*	.	H	α-helix	trans	-67.1	-29.6	178.8	0	0	0	0	0	114	A687 M688	A684-A687 WeakPolarHBondContact O-CB 3.47Å; A684-A687 PolarHBondContact O-N 3.35Å; A684-M688 WeakPolarHBondContact O-CG 3.48Å; A684-M688 PolarHBondContact O-N 3.37Å
685	E	88.2	Confident	89.7	Confident	85 Å²	85	69.4 Å²	69.4	40%	0.397	36%	0.358	S	S	.	.	H	α-helix	trans	-63.2	-46.6	177	-175.4	-149	145.9	0	0	111.4	N683 A687 M688 K689	N683-E685 VanDerWaalsContact C-N 3.34Å; N683-E685 PolarHBondContact O-N 3.03Å; N683-E685 WeakPolarHBondContact OD1-CA 3.48Å; N683-E685 VanDerWaalsContact OD1-CB 3.27Å; N683-E685 WeakPolarHBondContact OD1-CB 3.45Å; N683-E685 PolarHBondContact OD1-N 3.08Å; E685-A687 VanDerWaalsContact C-N 3.29Å; E685-A687 PolarHBondContact O-N 3.34Å; E685-M688 PolarHBondContact O-N 3.22Å; E685-K689 WeakPolarHBondContact O-CG 3.43Å; E685-K689 PolarHBondContact O-N 2.96Å; E685-K689 WeakPolarHBondContact OE1-CE 3.17Å; E685-K689 IonicContact OE1-NZ 2.71Å; E685-K689 PolarHBondContact OE1-NZ 3.37Å
686	F	86.3	Confident	89.6	Confident	20 Å²	20	65.2 Å²	65.2	9%	0.088	34%	0.343	C	S	.	.	H	α-helix	trans	-67	-29.5	176.5	-68.2	-67.1	0	0	0	112.4	Y677 I679 P680 K681 N683 K689 L690	Y677-F686 AromaticContact CE1-CD1 3.94Å; Y677-F686 HydrophobicContact CE1-CD1 3.94Å; Y677-F686 AromaticContact CZ-CD1 3.96Å; Y677-F686 WeakPolarHBondContact OH-CD1 3.12Å; Y677-F686 WeakPolarHBondContact OH-CE1 3.47Å; I679-F686 HydrophobicContact CG2-CB 4.21Å; I679-F686 HydrophobicContact CG2-CG 4.31Å; P680-F686 HydrophobicContact CG-CE1 3.76Å; P680-F686 HydrophobicContact CG-CE2 4.16Å; P680-F686 HydrophobicContact CG-CZ 3.52Å; K681-F686 HydrophobicContact CB-CE2 4.44Å; K681-F686 WeakPolarHBondContact O-CD2 3.29Å; N683-F686 WeakPolarHBondContact OD1-CD2 3.47Å; N683-F686 PolarHBondContact OD1-N 3.44Å; F686-K689 HydrophobicContact CD1-CD 4.27Å; F686-K689 HydrophobicContact CE1-CD 4.41Å; F686-L690 VanDerWaalsContact O-CB 3.3Å; F686-L690 WeakPolarHBondContact O-CB 3.33Å; F686-L690 PolarHBondContact O-N 3.41Å
687	A	87.7	Confident	89.6	Confident	60 Å²	60	65.1 Å²	65.1	50%	0.496	34%	0.343	S	S	.	.	H	α-helix	trans	-67.5	-46.1	170.8	0	0	0	0	0	112.1	N683 A684 E685 L690 Q691	N683-A687 PolarHBondContact O-N 2.83Å; A684-A687 WeakPolarHBondContact O-CB 3.47Å; A684-A687 PolarHBondContact O-N 3.35Å; E685-A687 VanDerWaalsContact C-N 3.29Å; E685-A687 PolarHBondContact O-N 3.34Å; A687-L690 PolarHBondContact O-N 2.93Å; A687-Q691 PolarHBondContact O-N 3.25Å
688	M	90.3	Very high	89.6	Confident	126 Å²	126	69.1 Å²	69.1	62%	0.621	36%	0.362	S	S	*	.	H	α-helix	trans	-63.2	-41.1	174.7	-69.4	-174.2	-64.8	0	0	112.3	A684 E685 L690 Q691 K692	A684-M688 WeakPolarHBondContact O-CG 3.48Å; A684-M688 PolarHBondContact O-N 3.37Å; E685-M688 PolarHBondContact O-N 3.22Å; M688-L690 VanDerWaalsContact C-N 3.33Å; M688-L690 PolarHBondContact O-N 3.31Å; M688-Q691 PolarHBondContact O-N 2.96Å; M688-K692 WeakPolarHBondContact O-CB 3.45Å; M688-K692 PolarHBondContact O-N 3.24Å
689	K	90.5	Very high	89.8	Confident	47 Å²	47	72.2 Å²	72.2	20%	0.204	38%	0.377	C	S	.	.	H	α-helix	trans	-61.3	-41.1	173	-74.5	180	176.7	168.5	0	111.5	E564 Y677 E685 F686 K692 L693	E564-K689 IonicContact OE1-NZ 3.75Å; E564-K689 PolarHBondContact OE1-NZ 2.85Å; Y677-K689 HydrophobicContact CE1-CB 4.17Å; Y677-K689 WeakPolarHBondContact OH-CD 3.44Å; E685-K689 WeakPolarHBondContact O-CG 3.43Å; E685-K689 PolarHBondContact O-N 2.96Å; E685-K689 WeakPolarHBondContact OE1-CE 3.17Å; E685-K689 IonicContact OE1-NZ 2.71Å; E685-K689 PolarHBondContact OE1-NZ 3.37Å; F686-K689 HydrophobicContact CD1-CD 4.27Å; F686-K689 HydrophobicContact CE1-CD 4.41Å; K689-K692 PolarHBondContact O-N 3.49Å; K689-L693 WeakPolarHBondContact O-CB 3.2Å; K689-L693 VanDerWaalsContact O-CG 3.27Å; K689-L693 WeakPolarHBondContact O-CG 3.35Å; K689-L693 PolarHBondContact O-N 3.13Å
690	L	91.5	Very high	90.3	Very high	44 Å²	44	69.2 Å²	69.2	23%	0.23	36%	0.361	C	S	.	.	H	α-helix	trans	-67.9	-37.7	177.5	-176.6	60.7	0	0	0	112.8	P674 F686 A687 M688 L693 A694	P674-L690 HydrophobicContact CB-CD1 4.04Å; P674-L690 HydrophobicContact CB-CD2 3.88Å; P674-L690 HydrophobicContact CG-CD1 4.09Å; P674-L690 HydrophobicContact CG-CD2 4.14Å; F686-L690 VanDerWaalsContact O-CB 3.3Å; F686-L690 WeakPolarHBondContact O-CB 3.33Å; F686-L690 PolarHBondContact O-N 3.41Å; A687-L690 PolarHBondContact O-N 2.93Å; M688-L690 VanDerWaalsContact C-N 3.33Å; M688-L690 PolarHBondContact O-N 3.31Å; L690-L693 WeakPolarHBondContact O-CB 3.38Å; L690-L693 PolarHBondContact O-N 3.46Å; L690-A694 PolarHBondContact O-N 3.37Å
691	Q	92.7	Very high	91.1	Very high	122 Å²	122	65.7 Å²	65.7	57%	0.57	34%	0.339	S	S	*	.	H	α-helix	trans	-61.4	-48.4	170.7	-174.6	-172.5	-38.8	0	0	110.7	A687 M688 L693 A694 E695	A687-Q691 PolarHBondContact O-N 3.25Å; M688-Q691 PolarHBondContact O-N 2.96Å; Q691-L693 VanDerWaalsContact C-N 3.29Å; Q691-L693 PolarHBondContact O-N 2.92Å; Q691-A694 WeakPolarHBondContact O-CA 3.28Å; Q691-A694 WeakPolarHBondContact O-CB 3.44Å; Q691-A694 PolarHBondContact O-N 3.1Å; Q691-A694 VanDerWaalsContact O-N 3.08Å; Q691-E695 WeakPolarHBondContact CG-OE1 3.49Å; Q691-E695 PolarHBondContact NE2-OE1 3.43Å; Q691-E695 WeakPolarHBondContact O-CG 3.5Å; Q691-E695 PolarHBondContact O-N 3.24Å
692	K	93	Very high	91.8	Very high	93 Å²	93	59.3 Å²	59.3	40%	0.404	32%	0.319	S	S	.	.	H	α-helix	trans	-64.2	-32.7	178.6	-167.8	162.1	-169.8	156.8	0	113.3	F560 M688 K689 I696	F560-K692 HydrophobicContact CZ-CG 4.3Å; M688-K692 WeakPolarHBondContact O-CB 3.45Å; M688-K692 PolarHBondContact O-N 3.24Å; K689-K692 PolarHBondContact O-N 3.49Å; K692-I696 HydrophobicContact CG-CD1 3.96Å; K692-I696 WeakPolarHBondContact O-CB 3.22Å; K692-I696 WeakPolarHBondContact O-CD1 3.21Å; K692-I696 WeakPolarHBondContact O-CG1 3.34Å; K692-I696 PolarHBondContact O-N 2.61Å
693	L	93.8	Very high	92.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.5	-43.8	170.7	-83.3	163.6	0	0	0	111.8	V556 T557 F560 L673 Y677 K689 L690 Q691 Y697	V556-L693 HydrophobicContact CG1-CD2 3.74Å; V556-L693 VanDerWaalsContact O-CD2 3.27Å; V556-L693 WeakPolarHBondContact O-CD2 3.44Å; T557-L693 HydrophobicContact CG2-CD2 4.11Å; F560-L693 HydrophobicContact CB-CD2 4.2Å; F560-L693 HydrophobicContact CD2-CD2 3.23Å; F560-L693 HydrophobicContact CD2-CG 3.87Å; F560-L693 HydrophobicContact CE2-CD2 3.68Å; F560-L693 HydrophobicContact CE2-CG 4.09Å; F560-L693 HydrophobicContact CG-CD2 3.86Å; F560-L693 HydrophobicContact CG-CG 4.17Å; L673-L693 HydrophobicContact CD2-CB 4.19Å; Y677-L693 HydrophobicContact CD1-CD1 3.64Å; Y677-L693 HydrophobicContact CD2-CD1 3.55Å; Y677-L693 HydrophobicContact CE1-CD1 4.13Å; Y677-L693 HydrophobicContact CE2-CD1 4.11Å; Y677-L693 HydrophobicContact CG-CD1 3.34Å; K689-L693 WeakPolarHBondContact O-CB 3.2Å; K689-L693 VanDerWaalsContact O-CG 3.27Å; K689-L693 WeakPolarHBondContact O-CG 3.35Å; K689-L693 PolarHBondContact O-N 3.13Å; L690-L693 WeakPolarHBondContact O-CB 3.38Å; L690-L693 PolarHBondContact O-N 3.46Å; Q691-L693 VanDerWaalsContact C-N 3.29Å; Q691-L693 PolarHBondContact O-N 2.92Å; L693-Y697 VanDerWaalsContact O-CB 3.28Å; L693-Y697 WeakPolarHBondContact O-CB 3.35Å; L693-Y697 PolarHBondContact O-N 2.98Å
694	A	95.8	Very high	92.9	Very high	24 Å²	24	48 Å²	48	20%	0.198	26%	0.259	C	S	.	.	H	α-helix	trans	-61.4	-55.9	173.9	0	0	0	0	0	110.7	L669 L673 L690 Q691 I696 Y697 E698	L669-A694 HydrophobicContact CD1-CB 3.73Å; L673-A694 HydrophobicContact CD2-CB 4.35Å; L690-A694 PolarHBondContact O-N 3.37Å; Q691-A694 WeakPolarHBondContact O-CA 3.28Å; Q691-A694 WeakPolarHBondContact O-CB 3.44Å; Q691-A694 PolarHBondContact O-N 3.1Å; Q691-A694 VanDerWaalsContact O-N 3.08Å; A694-I696 VanDerWaalsContact C-N 3.27Å; A694-I696 PolarHBondContact O-N 3.39Å; A694-Y697 WeakPolarHBondContact O-CA 3.41Å; A694-Y697 WeakPolarHBondContact O-CB 3.42Å; A694-Y697 PolarHBondContact O-N 2.66Å; A694-E698 WeakPolarHBondContact O-CG 3.27Å; A694-E698 PolarHBondContact O-N 3.14Å
695	E	95.8	Very high	93.1	Very high	96 Å²	96	45.1 Å²	45.1	45%	0.449	23%	0.234	S	C	.	.	H	α-helix	trans	-48.9	-46.4	177.5	-69.4	164.3	-178.5	0	0	112.3	Q691 H699	Q691-E695 WeakPolarHBondContact CG-OE1 3.49Å; Q691-E695 PolarHBondContact NE2-OE1 3.43Å; Q691-E695 WeakPolarHBondContact O-CG 3.5Å; Q691-E695 PolarHBondContact O-N 3.24Å; E695-H699 VanDerWaalsContact O-CB 3.23Å; E695-H699 WeakPolarHBondContact O-CB 3.35Å; E695-H699 PolarHBondContact O-N 2.89Å
696	I	95.7	Very high	93.2	Very high	11 Å²	11	46.1 Å²	46.1	6%	0.056	24%	0.239	C	C	.	.	H	α-helix	trans	-67.8	-41	178.4	-70.7	167.8	0	0	0	112	W516 L517 V556 F560 K692 A694 H699 V700	W516-I696 HydrophobicContact CH2-CG2 4.32Å; L517-I696 HydrophobicContact CD2-CG2 3.57Å; V556-I696 HydrophobicContact CB-CG2 4.43Å; V556-I696 HydrophobicContact CG1-CB 4.06Å; V556-I696 HydrophobicContact CG1-CG2 3.65Å; V556-I696 HydrophobicContact CG2-CG2 3.9Å; F560-I696 HydrophobicContact CE2-CD1 3.77Å; F560-I696 HydrophobicContact CZ-CD1 3.75Å; K692-I696 HydrophobicContact CG-CD1 3.96Å; K692-I696 WeakPolarHBondContact O-CB 3.22Å; K692-I696 WeakPolarHBondContact O-CD1 3.21Å; K692-I696 WeakPolarHBondContact O-CG1 3.34Å; K692-I696 PolarHBondContact O-N 2.61Å; A694-I696 VanDerWaalsContact C-N 3.27Å; A694-I696 PolarHBondContact O-N 3.39Å; I696-H699 PolarHBondContact O-N 3.49Å; I696-V700 WeakPolarHBondContact O-CG2 3.12Å; I696-V700 PolarHBondContact O-N 3.43Å
697	Y	96.8	Very high	93.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.2	-45.8	177.3	169.1	-84.8	0	0	0	111.7	L549 V552 A553 Y665 T668 L669 L673 L693 A694 H699 I701	L549-Y697 WeakPolarHBondContact CD2-OH 3.42Å; V552-Y697 HydrophobicContact CB-CD2 4.1Å; V552-Y697 HydrophobicContact CB-CE2 4.12Å; V552-Y697 HydrophobicContact CG1-CD2 3.64Å; V552-Y697 HydrophobicContact CG1-CE2 4.15Å; V552-Y697 HydrophobicContact CG1-CG 4.29Å; A553-Y697 HydrophobicContact CB-CD2 4.22Å; A553-Y697 HydrophobicContact CB-CE2 3.79Å; Y665-Y697 HydrophobicContact CD2-CE1 4.1Å; Y665-Y697 HydrophobicContact CE2-CD1 4.43Å; Y665-Y697 AromaticContact CE2-CE1 3.65Å; Y665-Y697 HydrophobicContact CE2-CE1 3.65Å; T668-Y697 WeakPolarHBondContact CB-OH 3.42Å; T668-Y697 HydrophobicContact CG2-CE2 4.16Å; T668-Y697 VanDerWaalsContact CG2-OH 3.29Å; T668-Y697 WeakPolarHBondContact CG2-OH 3.49Å; L669-Y697 HydrophobicContact CB-CD1 4.46Å; L669-Y697 HydrophobicContact CB-CE1 3.99Å; L669-Y697 HydrophobicContact CD1-CD1 3.77Å; L669-Y697 HydrophobicContact CD1-CE1 4.18Å; L673-Y697 HydrophobicContact CD1-CD2 3.81Å; L673-Y697 HydrophobicContact CD1-CE2 4.42Å; L673-Y697 HydrophobicContact CD1-CG 4.2Å; L673-Y697 HydrophobicContact CD2-CG 4.31Å; L693-Y697 VanDerWaalsContact O-CB 3.28Å; L693-Y697 WeakPolarHBondContact O-CB 3.35Å; L693-Y697 PolarHBondContact O-N 2.98Å; A694-Y697 WeakPolarHBondContact O-CA 3.41Å; A694-Y697 WeakPolarHBondContact O-CB 3.42Å; A694-Y697 PolarHBondContact O-N 2.66Å; Y697-H699 VanDerWaalsContact C-N 3.33Å; Y697-H699 PolarHBondContact O-N 2.92Å; Y697-I701 HydrophobicContact CD1-CD1 4.03Å; Y697-I701 HydrophobicContact CD2-CD1 4.29Å; Y697-I701 HydrophobicContact CE1-CD1 3.52Å; Y697-I701 HydrophobicContact CE2-CD1 3.79Å; Y697-I701 HydrophobicContact CG-CD1 4.4Å; Y697-I701 PolarHBondContact O-N 3.38Å
698	E	96.3	Very high	93.7	Very high	86 Å²	86	43.6 Å²	43.6	40%	0.402	22%	0.218	S	C	.	.	H	α-helix	trans	-64.2	-40	176.8	-54.4	-155.5	89.2	0	0	110.5	Y665 L669 A694 I701 G702	Y665-E698 WeakPolarHBondContact OH-CB 3.48Å; Y665-E698 VanDerWaalsContact OH-CD 3.28Å; Y665-E698 WeakPolarHBondContact OH-CG 3.47Å; Y665-E698 PolarHBondContact OH-OE1 3.38Å; L669-E698 HydrophobicContact CD1-CG 4.24Å; L669-E698 HydrophobicContact CD2-CG 3.94Å; L669-E698 WeakPolarHBondContact CD2-OE1 3.43Å; A694-E698 WeakPolarHBondContact O-CG 3.27Å; A694-E698 PolarHBondContact O-N 3.14Å; E698-I701 PolarHBondContact O-N 3.29Å; E698-G702 PolarHBondContact O-N 2.92Å
699	H	95	Very high	93.6	Very high	87 Å²	87	45.9 Å²	45.9	40%	0.403	22%	0.22	S	C	.	.	H	α-helix	trans	-65.7	-44.1	179.2	-164	170.8	0	0	0	113.1	E695 I696 Y697 I701 G702 I703	E695-H699 VanDerWaalsContact O-CB 3.23Å; E695-H699 WeakPolarHBondContact O-CB 3.35Å; E695-H699 PolarHBondContact O-N 2.89Å; I696-H699 PolarHBondContact O-N 3.49Å; Y697-H699 VanDerWaalsContact C-N 3.33Å; Y697-H699 PolarHBondContact O-N 2.92Å; H699-I701 VanDerWaalsContact C-N 3.3Å; H699-I701 PolarHBondContact O-N 3.46Å; H699-G702 PolarHBondContact O-N 3.41Å; H699-I703 WeakPolarHBondContact O-CD1 3.37Å; H699-I703 VanDerWaalsContact O-CG1 3.31Å; H699-I703 WeakPolarHBondContact O-CG1 3.4Å; H699-I703 PolarHBondContact O-N 2.86Å
700	V	95.7	Very high	93.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.4	-42	175.7	173.2	0	0	0	0	111.2	L517 L520 A521 V552 V556 I696 A704	L517-V700 HydrophobicContact CB-CG2 4.05Å; L517-V700 HydrophobicContact CD2-CG2 3.51Å; L517-V700 HydrophobicContact CG-CG2 4.31Å; L520-V700 HydrophobicContact CD2-CG1 4.07Å; L520-V700 HydrophobicContact CG-CG1 4.14Å; A521-V700 HydrophobicContact CB-CG1 4.5Å; V552-V700 HydrophobicContact CG1-CB 3.82Å; V552-V700 HydrophobicContact CG1-CG1 3.8Å; V552-V700 HydrophobicContact CG1-CG2 4.48Å; V552-V700 HydrophobicContact CG2-CG1 3.82Å; V556-V700 HydrophobicContact CG2-CG2 4.42Å; I696-V700 WeakPolarHBondContact O-CG2 3.12Å; I696-V700 PolarHBondContact O-N 3.43Å; V700-A704 WeakPolarHBondContact O-CB 3.5Å; V700-A704 PolarHBondContact O-N 3.21Å
701	I	95.4	Very high	93.3	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-70	-37.3	178.7	-68.2	168.8	0	0	0	110.7	L543 L549 V552 Y665 Y697 E698 H699 A704 S705	L543-I701 HydrophobicContact CD2-CG2 3.65Å; L549-I701 HydrophobicContact CD2-CD1 4.15Å; V552-I701 HydrophobicContact CB-CD1 4.38Å; V552-I701 HydrophobicContact CB-CG1 4.3Å; V552-I701 HydrophobicContact CG1-CD1 4.4Å; V552-I701 HydrophobicContact CG1-CG1 4.21Å; V552-I701 HydrophobicContact CG2-CG1 4.05Å; Y665-I701 HydrophobicContact CD2-CD1 4.25Å; Y665-I701 HydrophobicContact CE2-CD1 3.87Å; Y665-I701 HydrophobicContact CE2-CG2 4.35Å; Y697-I701 HydrophobicContact CD1-CD1 4.03Å; Y697-I701 HydrophobicContact CD2-CD1 4.29Å; Y697-I701 HydrophobicContact CE1-CD1 3.52Å; Y697-I701 HydrophobicContact CE2-CD1 3.79Å; Y697-I701 HydrophobicContact CG-CD1 4.4Å; Y697-I701 PolarHBondContact O-N 3.38Å; E698-I701 PolarHBondContact O-N 3.29Å; H699-I701 VanDerWaalsContact C-N 3.3Å; H699-I701 PolarHBondContact O-N 3.46Å; I701-A704 PolarHBondContact O-N 2.96Å; I701-S705 WeakPolarHBondContact O-CB 3.42Å; I701-S705 PolarHBondContact O-N 2.86Å; I701-S705 PolarHBondContact O-OG 2.8Å
702	G	93.7	Very high	93	Very high	28 Å²	28	46.7 Å²	46.7	29%	0.289	24%	0.238	S	C	.	.	H	α-helix	trans	-57.1	-55.1	172.4	0	0	0	0	0	112.3	E698 H699 A704 S705 E706	E698-G702 PolarHBondContact O-N 2.92Å; H699-G702 PolarHBondContact O-N 3.41Å; G702-A704 VanDerWaalsContact C-N 3.33Å; G702-A704 PolarHBondContact O-N 3.39Å; G702-S705 WeakPolarHBondContact O-CB 3.24Å; G702-S705 PolarHBondContact O-N 3.41Å; G702-E706 PolarHBondContact O-N 2.63Å
703	I	93.9	Very high	92.7	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.026	25%	0.25	C	S	.	.	H	α-helix	trans	-55.9	-48	177.7	-61.6	157.9	0	0	0	110.7	F510 I512 L517 A521 H699 S705 E706 M707	F510-I703 HydrophobicContact CD1-CG1 4.27Å; F510-I703 HydrophobicContact CD1-CG2 3.88Å; F510-I703 HydrophobicContact CD2-CG2 4.26Å; F510-I703 HydrophobicContact CE1-CG2 4.06Å; F510-I703 HydrophobicContact CE2-CG2 4.43Å; F510-I703 HydrophobicContact CG-CG2 3.99Å; F510-I703 HydrophobicContact CZ-CG2 4.33Å; I512-I703 HydrophobicContact CD1-CD1 3.49Å; I512-I703 VanDerWaalsContact CD1-CD1 3.49Å; I512-I703 HydrophobicContact CD1-CG1 4.19Å; L517-I703 HydrophobicContact CB-CD1 4.35Å; A521-I703 HydrophobicContact CB-CB 3.85Å; A521-I703 HydrophobicContact CB-CG2 3.53Å; H699-I703 WeakPolarHBondContact O-CD1 3.37Å; H699-I703 VanDerWaalsContact O-CG1 3.31Å; H699-I703 WeakPolarHBondContact O-CG1 3.4Å; H699-I703 PolarHBondContact O-N 2.86Å; I703-S705 VanDerWaalsContact C-N 3.29Å; I703-S705 PolarHBondContact O-N 2.81Å; I703-E706 PolarHBondContact O-N 3.49Å; I703-M707 HydrophobicContact CG2-CE 3.58Å; I703-M707 HydrophobicContact CG2-CG 4.46Å; I703-M707 HydrophobicContact CG2-SD 4.07Å; I703-M707 VanDerWaalsContact O-CG 3.31Å; I703-M707 WeakPolarHBondContact O-CG 3.32Å; I703-M707 PolarHBondContact O-N 3.35Å
704	A	93.9	Very high	92.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.5	-36.2	178.8	0	0	0	0	0	112	A521 L542 V700 I701 G702 M707 I708	A521-A704 HydrophobicContact CB-CB 4.03Å; L542-A704 VanDerWaalsContact CD1-C 3.43Å; L542-A704 HydrophobicContact CD1-CB 3.54Å; V700-A704 WeakPolarHBondContact O-CB 3.5Å; V700-A704 PolarHBondContact O-N 3.21Å; I701-A704 PolarHBondContact O-N 2.96Å; G702-A704 VanDerWaalsContact C-N 3.33Å; G702-A704 PolarHBondContact O-N 3.39Å; A704-M707 PolarHBondContact O-N 2.88Å; A704-I708 WeakPolarHBondContact O-CG1 3.35Å; A704-I708 WeakPolarHBondContact O-CG2 3.23Å; A704-I708 PolarHBondContact O-N 2.99Å
705	S	92.5	Very high	92	Very high	11 Å²	11	50 Å²	50	8%	0.077	27%	0.274	C	S	.	.	H	α-helix	trans	-71.8	-29.8	178.9	-59.6	0	0	0	0	112.9	I701 G702 I703 R709	I701-S705 WeakPolarHBondContact O-CB 3.42Å; I701-S705 PolarHBondContact O-N 2.86Å; I701-S705 PolarHBondContact O-OG 2.8Å; G702-S705 WeakPolarHBondContact O-CB 3.24Å; G702-S705 PolarHBondContact O-N 3.41Å; I703-S705 VanDerWaalsContact C-N 3.29Å; I703-S705 PolarHBondContact O-N 2.81Å; S705-R709 VanDerWaalsContact O-CD 3.24Å; S705-R709 WeakPolarHBondContact O-CD 3.31Å; S705-R709 VanDerWaalsContact O-CG 3.28Å; S705-R709 WeakPolarHBondContact O-CG 3.35Å; S705-R709 PolarHBondContact O-NE 2.65Å
706	E	91.8	Very high	91.7	Very high	107 Å²	107	52.2 Å²	52.2	50%	0.5	29%	0.289	S	S	.	.	H	α-helix	trans	-73.7	-46.1	169.5	-72.2	178.9	-159.7	0	0	111	F510 G702 I703 I708 R709	F510-E706 HydrophobicContact CE1-CB 4.41Å; F510-E706 WeakPolarHBondContact CE1-OE2 3.25Å; F510-E706 HydrophobicContact CZ-CB 3.99Å; G702-E706 PolarHBondContact O-N 2.63Å; I703-E706 PolarHBondContact O-N 3.49Å; E706-I708 VanDerWaalsContact C-N 3.34Å; E706-I708 PolarHBondContact O-N 2.88Å; E706-R709 WeakPolarHBondContact O-CB 3.49Å; E706-R709 PolarHBondContact O-N 3.15Å
707	M	92	Very high	91.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-55	-45.8	176.4	-73.8	176.5	175.6	0	0	112.3	F505 F507 F510 V518 A521 L522 A525 I703 A704 R709 L710	F505-M707 HydrophobicContact CD2-CB 4.48Å; F505-M707 HydrophobicContact CE2-CB 4.03Å; F505-M707 HydrophobicContact CE2-CG 4.17Å; F505-M707 HydrophobicContact CE2-SD 4.28Å; F507-M707 HydrophobicContact CB-CE 3.69Å; F510-M707 HydrophobicContact CD2-CE 3.48Å; F510-M707 VanDerWaalsContact CD2-CE 3.48Å; F510-M707 HydrophobicContact CD2-CG 4.47Å; F510-M707 HydrophobicContact CE2-CE 3.75Å; F510-M707 HydrophobicContact CE2-CG 3.77Å; F510-M707 HydrophobicContact CG-CE 4.26Å; F510-M707 HydrophobicContact CZ-CG 4.29Å; V518-M707 HydrophobicContact CG1-CE 3.96Å; A521-M707 HydrophobicContact CB-SD 4.18Å; L522-M707 HydrophobicContact CB-CE 4.26Å; L522-M707 HydrophobicContact CB-SD 4.18Å; L522-M707 HydrophobicContact CD1-SD 4.44Å; A525-M707 HydrophobicContact CB-CB 3.62Å; A525-M707 HydrophobicContact CB-SD 4.17Å; I703-M707 HydrophobicContact CG2-CE 3.58Å; I703-M707 HydrophobicContact CG2-CG 4.46Å; I703-M707 HydrophobicContact CG2-SD 4.07Å; I703-M707 VanDerWaalsContact O-CG 3.31Å; I703-M707 WeakPolarHBondContact O-CG 3.32Å; I703-M707 PolarHBondContact O-N 3.35Å; A704-M707 PolarHBondContact O-N 2.88Å; M707-R709 PolarHBondContact O-N 2.94Å; M707-R709 VanDerWaalsContact O-N 3.13Å; M707-L710 WeakPolarHBondContact O-CB 3.37Å; M707-L710 WeakPolarHBondContact O-CG 3.17Å; M707-L710 PolarHBondContact O-N 2.84Å; M707-L710 VanDerWaalsContact O-N 3.09Å
708	I	90.5	Very high	91.7	Very high	27 Å²	27	56.1 Å²	56.1	14%	0.138	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-6.9	-179.5	65.5	147.9	0	0	0	115	A525 F528 H529 L542 A704 E706	A525-I708 HydrophobicContact CB-CG2 3.81Å; F528-I708 HydrophobicContact CB-CG2 4.28Å; F528-I708 HydrophobicContact CD1-CB 4.21Å; F528-I708 HydrophobicContact CD1-CD1 4.09Å; F528-I708 HydrophobicContact CD1-CG2 3.69Å; F528-I708 HydrophobicContact CE1-CD1 3.79Å; F528-I708 HydrophobicContact CG-CG2 4.31Å; H529-I708 PolarHBondContact CE1-O 3.42Å; H529-I708 WeakPolarHBondContact NE2-CA 3.37Å; L542-I708 HydrophobicContact CD1-CD1 4.14Å; L542-I708 HydrophobicContact CD1-CG1 4.11Å; L542-I708 HydrophobicContact CD1-CG2 4.28Å; L542-I708 HydrophobicContact CD2-CD1 4.06Å; L542-I708 HydrophobicContact CG-CD1 3.73Å; L542-I708 HydrophobicContact CG-CG1 4.27Å; A704-I708 WeakPolarHBondContact O-CG1 3.35Å; A704-I708 WeakPolarHBondContact O-CG2 3.23Å; A704-I708 PolarHBondContact O-N 2.99Å; E706-I708 VanDerWaalsContact C-N 3.34Å; E706-I708 PolarHBondContact O-N 2.88Å
709	R	89.3	Confident	91.7	Very high	174 Å²	174	56.1 Å²	56.1	66%	0.657	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-6.6	174	-66.7	168	-174.7	165.7	3.4	112.7	S705 E706 M707	S705-R709 VanDerWaalsContact O-CD 3.24Å; S705-R709 WeakPolarHBondContact O-CD 3.31Å; S705-R709 VanDerWaalsContact O-CG 3.28Å; S705-R709 WeakPolarHBondContact O-CG 3.35Å; S705-R709 PolarHBondContact O-NE 2.65Å; E706-R709 WeakPolarHBondContact O-CB 3.49Å; E706-R709 PolarHBondContact O-N 3.15Å; M707-R709 PolarHBondContact O-N 2.94Å; M707-R709 VanDerWaalsContact O-N 3.13Å
710	L	89.1	Confident	91.8	Very high	63 Å²	63	57.1 Å²	57.1	33%	0.33	31%	0.314	S	S	.	.	S	Bend	trans	-74.5	149	177.1	-60.3	177.3	0	0	0	111	F505 S506 M707 V712	F505-L710 HydrophobicContact CB-CB 3.97Å; F505-L710 HydrophobicContact CB-CD1 4.21Å; F505-L710 HydrophobicContact CD2-CD1 4.16Å; S506-L710 WeakPolarHBondContact O-CD1 3.35Å; M707-L710 WeakPolarHBondContact O-CB 3.37Å; M707-L710 WeakPolarHBondContact O-CG 3.17Å; M707-L710 PolarHBondContact O-N 2.84Å; M707-L710 VanDerWaalsContact O-N 3.09Å; L710-V712 PolarHBondContact O-N 3.44Å
711	P	85.8	Confident	91.7	Very high	112 Å²	112	61.8 Å²	61.8	73%	0.727	33%	0.334	S	S	*	.			trans	-65.6	132	172.6	27.9	-34.1	0	0	0	110.3
712	V	86.8	Confident	91.7	Very high	55 Å²	55	63.8 Å²	63.8	33%	0.333	35%	0.346	S	S	.	.			trans	-106	104.8	-175.9	-175.9	0	0	0	0	111.7	G504 F505 H529 L710 A714	G504-V712 CarbonylContact O-C 3.59Å; G504-V712 WeakPolarHBondContact O-CA 3.49Å; F505-V712 HydrophobicContact CD1-CG2 4.18Å; H529-V712 WeakPolarHBondContact CE1-CG2 3.39Å; H529-V712 WeakPolarHBondContact NE2-CG2 3.44Å; L710-V712 PolarHBondContact O-N 3.44Å; V712-A714 PolarHBondContact O-N 3.05Å
713	S	88	Confident	91.7	Very high	95 Å²	95	67.9 Å²	67.9	66%	0.664	37%	0.368	S	S	*	.			trans	-84.6	82.8	169.8	-67.4	0	0	0	0	110.2	G504	G504-S713 WeakPolarHBondContact CA-O 3.2Å; G504-S713 PolarHBondContact O-N 3.39Å
714	A	84.2	Confident	91.8	Very high	56 Å²	56	68.7 Å²	68.7	46%	0.463	37%	0.373	S	S	.	.			trans	-63.9	137	180	0	0	0	0	0	112	V712	V712-A714 PolarHBondContact O-N 3.05Å
715	P	89.6	Confident	91.6	Very high	35 Å²	35	74.7 Å²	74.7	23%	0.227	41%	0.41	C	S	.	.			trans	-65.8	138.3	179.4	27.6	-36.2	0	0	0	111.7	P437 W440 I502 I717	P437-P715 HydrophobicContact CB-CG 4.17Å; W440-P715 HydrophobicContact CZ3-CB 4.34Å; I502-P715 HydrophobicContact CD1-CB 4.06Å; I502-P715 HydrophobicContact CD1-CG 3.8Å; P715-I717 HydrophobicContact CB-CG1 4.28Å; P715-I717 HydrophobicContact CG-CD1 4.16Å; P715-I717 HydrophobicContact CG-CG1 4.28Å; P715-I717 PolarHBondContact O-N 3.06Å; P715-I717 VanDerWaalsContact O-N 3.08Å
716	N	90.6	Very high	91.3	Very high	142 Å²	142	76 Å²	76	76%	0.759	42%	0.415	S	S	*	.			trans	-78.1	91.3	175.2	-175.5	18.7	0	0	0	110.7
717	I	95.2	Very high	90.5	Very high	24 Å²	24	73.9 Å²	73.9	12%	0.123	41%	0.411	C	S	.	.			trans	-96.7	110.7	178.9	-54.2	176.1	0	0	0	108.8	P437 W440 I481 P715 Y719	P437-I717 HydrophobicContact CB-CD1 3.85Å; P437-I717 HydrophobicContact CG-CD1 3.86Å; W440-I717 HydrophobicContact CB-CD1 4.23Å; W440-I717 HydrophobicContact CD2-CD1 4.15Å; W440-I717 HydrophobicContact CD2-CG1 3.93Å; W440-I717 HydrophobicContact CD2-CG2 4.27Å; W440-I717 HydrophobicContact CE3-CD1 4.18Å; W440-I717 HydrophobicContact CE3-CG1 4.04Å; W440-I717 HydrophobicContact CG-CD1 4.23Å; W440-I717 HydrophobicContact CG-CG1 4.33Å; W440-I717 HydrophobicContact CG-CG2 4.02Å; W440-I717 HydrophobicContact CH2-CG1 4.46Å; W440-I717 HydrophobicContact CZ2-CG1 4.39Å; W440-I717 HydrophobicContact CZ3-CG1 4.31Å; I481-I717 HydrophobicContact CG2-CG2 4.42Å; P715-I717 HydrophobicContact CB-CG1 4.28Å; P715-I717 HydrophobicContact CG-CD1 4.16Å; P715-I717 HydrophobicContact CG-CG1 4.28Å; P715-I717 PolarHBondContact O-N 3.06Å; P715-I717 VanDerWaalsContact O-N 3.08Å; I717-Y719 HydrophobicContact CB-CD1 4.46Å; I717-Y719 HydrophobicContact CG2-CD1 4.01Å; I717-Y719 WeakPolarHBondContact O-CD1 3.45Å; I717-Y719 PolarHBondContact O-N 3.1Å
718	V	96.2	Very high	89.5	Confident	70 Å²	70	79.4 Å²	79.4	42%	0.424	45%	0.445	S	S	.	.			trans	-81.7	117.2	175.2	-180	0	0	0	0	109.5	Q482	Q482-V718 HydrophobicContact CB-CB 4.14Å; Q482-V718 HydrophobicContact CB-CG1 4.42Å; Q482-V718 WeakPolarHBondContact CB-O 3.48Å; Q482-V718 PolarHBondContact N-O 3.36Å
719	Y	96.3	Very high	88.2	Confident	86 Å²	86	79.3 Å²	79.3	34%	0.337	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	156.6	173.3	68.2	-85.5	0	0	0	112	L436 Y479 Q480 I717 K721	L436-Y719 HydrophobicContact CD2-CD1 3.99Å; L436-Y719 HydrophobicContact CD2-CE1 3.89Å; L436-Y719 HydrophobicContact CD2-CG 4.37Å; Y479-Y719 AromaticContact CD1-CD2 3.57Å; Y479-Y719 HydrophobicContact CD1-CD2 3.57Å; Y479-Y719 AromaticContact CD1-CE2 3.7Å; Y479-Y719 HydrophobicContact CD1-CE2 3.7Å; Y479-Y719 AromaticContact CE1-CD2 3.97Å; Y479-Y719 HydrophobicContact CE1-CD2 3.97Å; Y479-Y719 AromaticContact CE1-CE2 3.58Å; Y479-Y719 HydrophobicContact CE1-CE2 3.58Å; Q480-Y719 CarbonylContact O-C 3.54Å; Q480-Y719 WeakPolarHBondContact O-CA 3.1Å; Q480-Y719 WeakPolarHBondContact O-CB 3.39Å; I717-Y719 HydrophobicContact CB-CD1 4.46Å; I717-Y719 HydrophobicContact CG2-CD1 4.01Å; I717-Y719 WeakPolarHBondContact O-CD1 3.45Å; I717-Y719 PolarHBondContact O-N 3.1Å; Y719-K721 HydrophobicContact CD2-CG 4.28Å; Y719-K721 HydrophobicContact CE2-CD 4.44Å; Y719-K721 HydrophobicContact CE2-CG 3.91Å
720	Q	96.7	Very high	86.5	Confident	107 Å²	107	76.5 Å²	76.5	50%	0.5	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134	175.4	-58.7	-174	11	0	0	110.8	Y479 Q480	Y479-Q720 WeakPolarHBondContact CA-O 3.36Å; Q480-Q720 HydrophobicContact CB-CB 4.41Å; Q480-Q720 PolarHBondContact N-O 3.19Å; Q480-Q720 PolarHBondContact O-N 3.17Å
721	K	95.1	Very high	84.7	Confident	98 Å²	98	74.8 Å²	74.8	43%	0.426	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	120.8	172.1	-57	-173	-174.4	-168.8	0	109	E433 T477 Y479 Y719	E433-K721 IonicContact OE1-NZ 3.94Å; E433-K721 PolarHBondContact OE1-NZ 3.43Å; T477-K721 HydrophobicContact CG2-CB 4.05Å; Y479-K721 HydrophobicContact CD1-CG 4.2Å; Y479-K721 HydrophobicContact CE1-CD 3.97Å; Y479-K721 HydrophobicContact CE1-CG 3.72Å; Y479-K721 HydrophobicContact CE2-CG 4.35Å; Y479-K721 WeakPolarHBondContact OH-CD 3.41Å; Y479-K721 WeakPolarHBondContact OH-CE 3.47Å; Y479-K721 PolarHBondContact OH-NZ 3.13Å; Y719-K721 HydrophobicContact CD2-CG 4.28Å; Y719-K721 HydrophobicContact CE2-CD 4.44Å; Y719-K721 HydrophobicContact CE2-CG 3.91Å
722	V	95	Very high	82.7	Confident	45 Å²	45	73.4 Å²	73.4	27%	0.273	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	147	176.1	-58.3	0	0	0	0	111.8	T478 T724	T478-V722 HydrophobicContact CG2-CG2 4.46Å; T478-V722 PolarHBondContact N-O 3.38Å; T478-V722 PolarHBondContact O-N 2.84Å; V722-T724 PolarHBondContact O-N 3.5Å
723	P	93.7	Very high	80.4	Confident	113 Å²	113	77.9 Å²	77.9	73%	0.734	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.3	135.7	173.1	-23.8	34.4	0	0	0	111.4	T725	P723-T725 PolarHBondContact O-N 3.4Å
724	T	95.6	Very high	78.1	Confident	23 Å²	23	78.2 Å²	78.2	14%	0.141	43%	0.429	C	S	.	.			trans	-75.9	109	-176.5	-59.8	0	0	0	0	112.4	L92 Y469 L476 T477 T478 V722	L92-T724 HydrophobicContact CD1-CG2 4.02Å; L92-T724 HydrophobicContact CD2-CG2 4.01Å; Y469-T724 HydrophobicContact CD1-CG2 3.63Å; Y469-T724 HydrophobicContact CE1-CG2 3.98Å; L476-T724 HydrophobicContact CD2-CG2 4.16Å; L476-T724 HydrophobicContact CG-CG2 4.14Å; L476-T724 PolarHBondContact O-N 3.28Å; L476-T724 PolarHBondContact O-OG1 2.69Å; T477-T724 WeakPolarHBondContact CA-OG1 3.36Å; T477-T724 PolarHBondContact N-OG1 2.6Å; T478-T724 PolarHBondContact N-OG1 3.24Å; T478-T724 WeakPolarHBondContact OG1-CA 3.49Å; T478-T724 WeakPolarHBondContact OG1-CB 3.47Å; T478-T724 PolarHBondContact OG1-OG1 2.95Å; V722-T724 PolarHBondContact O-N 3.5Å
725	T	90	Very high	75.4	Confident	125 Å²	125	83.7 Å²	83.7	77%	0.767	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-76.7	119.1	167.5	-57.1	0	0	0	0	110.4	P723	P723-T725 PolarHBondContact O-N 3.4Å
726	I	85.6	Confident	72.8	Confident	39 Å²	39	89.9 Å²	89.9	20%	0.2	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-84.4	126.9	175.9	-59.5	-176.6	0	0	0	109.4	L92 Q93 E96	L92-I726 HydrophobicContact CB-CD1 4.28Å; L92-I726 HydrophobicContact CB-CG1 4.08Å; Q93-I726 HydrophobicContact CG-CD1 4.1Å; Q93-I726 HydrophobicContact CG-CG2 3.71Å; E96-I726 HydrophobicContact CB-CD1 4.18Å
727	P	75.7	Confident	70	Confident	62 Å²	62	87.3 Å²	87.3	40%	0.403	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-62.7	137	175.7	-21.3	32.8	0	0	0	112.5
728	V	70.3	Confident	66.8	Low	117 Å²	117	91.2 Å²	91.2	71%	0.709	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-72.2	130.6	179.2	-178.9	0	0	0	0	110.3	D730	V728-D730 HydrophobicContact CG1-CB 4.29Å; V728-D730 PolarHBondContact O-N 3Å
729	I	64.3	Low	63.7	Low	24 Å²	24	94.6 Å²	94.6	12%	0.123	51%	0.509	C	S	.	.			trans	-81.1	68	176.1	-51.2	-177.1	0	0	0	109	F86 P248 L731 L732	F86-I729 HydrophobicContact CD1-CB 4.25Å; F86-I729 HydrophobicContact CD1-CD1 4.49Å; F86-I729 HydrophobicContact CD1-CG1 3.92Å; F86-I729 HydrophobicContact CD1-CG2 3.85Å; F86-I729 HydrophobicContact CE1-CB 4.21Å; F86-I729 HydrophobicContact CE1-CG1 4.33Å; F86-I729 HydrophobicContact CE1-CG2 3.78Å; F86-I729 HydrophobicContact CG-CG2 4.32Å; F86-I729 HydrophobicContact CZ-CG2 4.18Å; P248-I729 HydrophobicContact CB-CG2 4.02Å; P248-I729 HydrophobicContact CG-CG2 4.34Å; I729-L731 PolarHBondContact O-N 3.01Å; I729-L732 HydrophobicContact CB-CD1 4.03Å; I729-L732 HydrophobicContact CB-CG 4.5Å; I729-L732 HydrophobicContact CG2-CD1 3.86Å; I729-L732 HydrophobicContact CG2-CG 4.02Å; I729-L732 WeakPolarHBondContact O-CB 3.49Å; I729-L732 PolarHBondContact O-N 3.27Å
730	D	53.8	Low	60.3	Low	115 Å²	115	94.2 Å²	94.2	62%	0.615	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	0.8	-164.2	-156.8	37	0	0	0	115.3	V728 L732	V728-D730 HydrophobicContact CG1-CB 4.29Å; V728-D730 PolarHBondContact O-N 3Å; D730-L732 PolarHBondContact O-N 3.39Å
731	L	50.4	Low	57.1	Low	28 Å²	28	94.7 Å²	94.7	15%	0.147	54%	0.536	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-11.6	166.7	-67.5	169	0	0	0	112.5	F86 P248 M309 I729 K733	F86-L731 HydrophobicContact CE2-CD1 3.77Å; F86-L731 HydrophobicContact CZ-CD1 3.79Å; F86-L731 HydrophobicContact CZ-CG 4.39Å; P248-L731 HydrophobicContact CG-CB 4.37Å; P248-L731 HydrophobicContact CG-CD1 4Å; M309-L731 HydrophobicContact CE-CD1 3.67Å; M309-L731 HydrophobicContact SD-CD1 4.47Å; I729-L731 PolarHBondContact O-N 3.01Å; L731-K733 PolarHBondContact O-N 2.9Å
732	L	43.8	Very low	53.8	Low	82 Å²	82	95.3 Å²	95.3	43%	0.429	55%	0.552	S	S	.	*			trans	-85.7	38.2	-179.8	-64.4	175.1	0	0	0	113.5	I729 D730 N734	I729-L732 HydrophobicContact CB-CD1 4.03Å; I729-L732 HydrophobicContact CB-CG 4.5Å; I729-L732 HydrophobicContact CG2-CD1 3.86Å; I729-L732 HydrophobicContact CG2-CG 4.02Å; I729-L732 WeakPolarHBondContact O-CB 3.49Å; I729-L732 PolarHBondContact O-N 3.27Å; D730-L732 PolarHBondContact O-N 3.39Å; L732-N734 PolarHBondContact O-N 3.19Å
733	K	38.9	Very low	50.5	Low	149 Å²	149	98.6 Å²	98.6	65%	0.648	58%	0.577	S	S	*	*			trans	-69.3	69.7	152.7	-76.7	-166.6	176.6	-175.4	0	109.6	L731 E735	L731-K733 PolarHBondContact O-N 2.9Å; K733-E735 PolarHBondContact O-N 3.31Å
734	N	38.6	Very low	47.3	Very low	103 Å²	103	99.1 Å²	99.1	55%	0.551	58%	0.578	S	S	*	*			trans	-71.7	73	163.3	-79.8	-21.3	0	0	0	108.2	L732 M736	L732-N734 PolarHBondContact O-N 3.19Å; N734-M736 PolarHBondContact O-N 2.71Å
735	E	28.8	Very low	43.8	Very low	170 Å²	170	109 Å²	109	79%	0.794	61%	0.613	S	S	*	*			trans	-58.3	92.2	139.9	-73.8	170	-160.4	0	0	106	K733 P737	K733-E735 PolarHBondContact O-N 3.31Å; E735-P737 WeakPolarHBondContact O-CD 3.43Å
736	M	33.9	Very low	40.8	Very low	165 Å²	165	109.2 Å²	109.2	81%	0.813	61%	0.614	S	S	*	*			trans	-56.1	119	151.9	-80	-171.1	62.6	0	0	104.9	N734 S738	N734-M736 PolarHBondContact O-N 2.71Å; M736-S738 PolarHBondContact O-N 2.89Å
737	P	31.6	Very low	37.7	Very low	88 Å²	88	113 Å²	113	57%	0.571	64%	0.639	S	S	*	*			trans	-56.8	118	177.7	23	-32.3	0	0	0	107	E735 N739	E735-P737 WeakPolarHBondContact O-CD 3.43Å; P737-N739 PolarHBondContact O-N 2.97Å
738	S	29.3	Very low	35.3	Very low	106 Å²	106	117.2 Å²	117.2	74%	0.741	66%	0.658	S	S	*	*			trans	-66.5	110.5	-176.5	45.8	0	0	0	0	107.7	M736 A740	M736-S738 PolarHBondContact O-N 2.89Å; S738-A740 PolarHBondContact O-N 3.18Å
739	N	30.1	Very low	33	Very low	142 Å²	142	117.3 Å²	117.3	76%	0.759	66%	0.659	S	S	*	*			trans	-72.5	54.4	172.5	-76.8	-10.4	0	0	0	110.6	P737 P741	P737-N739 PolarHBondContact O-N 2.97Å; N739-P741 WeakPolarHBondContact O-CD 3.49Å
740	A	24.9	Very low	31.1	Very low	77 Å²	77	122.8 Å²	122.8	64%	0.636	68%	0.684	S	S	*	*			trans	-82.6	100.3	151.7	0	0	0	0	0	105.8	S738 S742	S738-A740 PolarHBondContact O-N 3.18Å; A740-S742 PolarHBondContact O-N 3.03Å
741	P	29.4	Very low	29.7	Very low	118 Å²	118	125 Å²	125	77%	0.766	69%	0.688	S	S	*	*			trans	-58.4	126.9	173.3	25.7	-33.4	0	0	0	108	N739 S743	N739-P741 WeakPolarHBondContact O-CD 3.49Å; P741-S743 PolarHBondContact O-N 2.9Å
742	S	27.1	Very low	28.3	Very low	111 Å²	111	128.1 Å²	128.1	78%	0.776	71%	0.713	S	S	*	*			trans	-58.7	110.4	176.9	34.8	0	0	0	0	108.7	A740 V744	A740-S742 PolarHBondContact O-N 3.03Å; S742-V744 VanDerWaalsContact C-N 3.34Å; S742-V744 PolarHBondContact O-N 2.94Å
743	S	25.3	Very low	27.4	Very low	114 Å²	114	131.3 Å²	131.3	80%	0.797	73%	0.729	S	S	*	*			trans	-69.7	90.3	-174.9	39.3	0	0	0	0	110.2	P741 R745	P741-S743 PolarHBondContact O-N 2.9Å; S743-R745 PolarHBondContact O-N 3.46Å
744	V	27	Very low	26.5	Very low	124 Å²	124	132.2 Å²	132.2	75%	0.752	74%	0.736	S	S	*	*			trans	-56.6	113.7	170.8	176.7	0	0	0	0	107.5	S742 T746	S742-V744 VanDerWaalsContact C-N 3.34Å; S742-V744 PolarHBondContact O-N 2.94Å; V744-T746 VanDerWaalsContact C-N 3.3Å; V744-T746 PolarHBondContact O-N 2.83Å
745	R	21.4	Very low	25.7	Very low	231 Å²	231	132.4 Å²	132.4	87%	0.872	74%	0.737	S	S	*	*			trans	-78.8	69.8	-162.2	-169.7	-173.4	-170.6	-179.7	3.6	111.7	S743 T747	S743-R745 PolarHBondContact O-N 3.46Å; R745-T747 PolarHBondContact O-N 3.3Å
746	T	26.7	Very low	25.4	Very low	129 Å²	129	132.5 Å²	132.5	79%	0.791	74%	0.735	S	S	*	*			trans	-80.2	105.3	168.9	37	0	0	0	0	110.2	V744 N748	V744-T746 VanDerWaalsContact C-N 3.3Å; V744-T746 PolarHBondContact O-N 2.83Å; T746-N748 PolarHBondContact O-N 3.01Å
747	T	20.2	Very low	24.8	Very low	117 Å²	117	128.7 Å²	128.7	72%	0.718	73%	0.725	S	S	*	*			trans	-68.8	123.8	172.9	46	0	0	0	0	110.9	R745	R745-T747 PolarHBondContact O-N 3.3Å
748	N	26.4	Very low	24.3	Very low	152 Å²	152	133 Å²	133	81%	0.813	74%	0.737	S	S	*	*			trans	-150.6	108.8	148.1	-96.3	-30.1	0	0	0	110	T746	T746-N748 PolarHBondContact O-N 3.01Å
749	T	22	Very low	23.8	Very low	119 Å²	119	134.2 Å²	134.2	73%	0.73	74%	0.739	S	S	*	*				-5.7	133.3	125.5	30.6	0	0	0	0	114.9
750	E	23.3	Very low	23.4	Very low	138 Å²	138	134.1 Å²	134.1	65%	0.645	74%	0.738	S	S	*	*			cis	-149.1	177.9	25.2	-62.3	-164.5	109.3	0	0	113.9
751	K	23.8	Very low	23.2	Very low	161 Å²	161	139.3 Å²	139.3	70%	0.7	75%	0.746	S	S	*	*			trans	30.1	141.4	141.3	-63.4	156.8	-165.4	158	0	119.7
752	S	21	Very low	22.7	Very low	95 Å²	95	145.2 Å²	145.2	66%	0.664	75%	0.753	S	S	*	*			cis	172.3	170.4	-9.7	48.8	0	0	0	0	106.9
753	L	26	Very low	22.4	Very low	149 Å²	149	144.9 Å²	144.9	78%	0.78	75%	0.75	S	S	*	*			trans	71.3	119.9	178.7	-48.8	165.6	0	0	0	112.5
754	Q	20.1	Very low	22.2	Very low	168 Å²	168	148.3 Å²	148.3	79%	0.785	75%	0.753	S	S	*	*			cis	107.2	136.2	31.1	-83.4	-171	-49.4	0	0	112.7
755	D	22.4	Very low	22.1	Very low	107 Å²	107	148.1 Å²	148.1	57%	0.572	76%	0.758	S	S	*	*			trans	67.2	114.7	153.1	-84.7	-0.6	0	0	0	122.1
756	K	22.2	Very low	22.1	Very low	171 Å²	171	142.6 Å²	142.6	74%	0.743	76%	0.755	S	S	*	*				70	163.1	124.8	-66.5	167.6	-170	152.6	0	118.7
757	S	20.4	Very low	21.9	Very low	86 Å²	86	145.1 Å²	145.1	60%	0.601	76%	0.762	S	S	*	*			cis	-168.9	155.6	-36.9	55	0	0	0	0	108.3
758	E	20.8	Very low	21.9	Very low	177 Å²	177	146.8 Å²	146.8	83%	0.827	77%	0.766	S	S	*	*			trans	67.6	138.4	167.2	-63.4	-175.1	138.6	0	0	115.5
759	V	19.8	Very low	21.7	Very low	132 Å²	132	146.5 Å²	146.5	80%	0.8	76%	0.763	S	S	*	*			cis	109.1	148.4	27.5	167.8	0	0	0	0	111.4
760	I	21.8	Very low	21.6	Very low	141 Å²	141	149.9 Å²	149.9	72%	0.723	77%	0.767	S	S	*	*			trans	94.8	104.9	178.4	-47.6	-165.7	0	0	0	118.2
761	K	20.2	Very low	21.5	Very low	186 Å²	186	147.3 Å²	147.3	81%	0.809	77%	0.765	S	S	*	*			trans	18.1	128.3	133.5	-49	164.1	-170.9	169.5	0	118
762	R	19.1	Very low	21.4	Very low	241 Å²	241	146.8 Å²	146.8	91%	0.909	77%	0.77	S	S	*	*				71	144.9	54.1	-79	-166.1	169.6	-172.3	-1.5	117
763	S	21.1	Very low	21.5	Very low	104 Å²	104	146.4 Å²	146.4	73%	0.727	77%	0.773	S	S	*	*			trans	85.6	148	171.1	86.9	0	0	0	0	115.3
764	H	19.5	Very low	21.9	Very low	186 Å²	186	144.6 Å²	144.6	86%	0.861	77%	0.77	S	S	*	*			cis	-148.2	153.7	-4.4	-104	-54.9	0	0	0	109.6
765	S	25	Very low	22	Very low	120 Å²	120	144.2 Å²	144.2	84%	0.839	77%	0.772	S	S	*	*			trans	-155.2	151.6	162.6	60.6	0	0	0	0	112.5
766	S	22.1	Very low	22	Very low	116 Å²	116	144.6 Å²	144.6	81%	0.811	78%	0.783	S	S	*	*			trans	-158.6	146.7	-175.7	54.6	0	0	0	0	111.9
767	I	21.8	Very low	22.1	Very low	182 Å²	182	145.9 Å²	145.9	93%	0.933	79%	0.789	S	S	*	*			trans	-162.6	154.5	168.9	-102.6	145.5	0	0	0	109.4
768	N	22	Very low	22.4	Very low	151 Å²	151	147.8 Å²	147.8	81%	0.807	80%	0.799	S	S	*	*			trans	-162.8	136.9	-168.2	-176.8	15.2	0	0	0	112.5
769	I	21.3	Very low	22.4	Very low	147 Å²	147	148.4 Å²	148.4	75%	0.754	80%	0.799	S	S	*	*			trans	-164.4	122.1	-179.1	-105.7	149.7	0	0	0	108.5
770	K	19.7	Very low	22.6	Very low	189 Å²	189	151.5 Å²	151.5	82%	0.822	80%	0.804	S	S	*	*				58.3	144.7	101.4	-72.3	-173.6	179.1	-176	0	116.3
771	S	21.3	Very low	22.7	Very low	84 Å²	84	150 Å²	150	59%	0.587	81%	0.806	S	S	*	*			cis	-169.5	179.8	-7.6	45.8	0	0	0	0	112.3
772	D	22	Very low	22.9	Very low	150 Å²	150	149 Å²	149	80%	0.802	81%	0.809	S	S	*	*			trans	71.5	158.5	156.3	-51.8	-45.5	0	0	0	120.3
773	A	23.9	Very low	23.1	Very low	88 Å²	88	144.2 Å²	144.2	73%	0.727	80%	0.802	S	S	*	*			cis	-153.4	-132.3	-28.1	0	0	0	0	0	113.9
774	P	32.9	Very low	23.2	Very low	111 Å²	111	143.6 Å²	143.6	72%	0.721	80%	0.803	S	S	*	*				-136.5	-168.5	-126.1	43.6	-22.6	0	0	0	120
775	L	21.7	Very low	23.4	Very low	160 Å²	160	142.6 Å²	142.6	84%	0.838	80%	0.803	S	S	*	*			trans	80.4	156.9	162.7	-66.2	163.7	0	0	0	118.4
776	S	22.3	Very low	23.8	Very low	114 Å²	114	141.7 Å²	141.7	80%	0.797	79%	0.794	S	S	*	*			cis	-158.1	-176.2	-1.7	32.8	0	0	0	0	113.6
777	K	24.6	Very low	23.9	Very low	199 Å²	199	143 Å²	143	87%	0.865	79%	0.791	S	S	*	*			trans	-105.1	163	-176	-56.1	176.1	178.4	178.1	0	114.3
778	P	26.9	Very low	24	Very low	125 Å²	125	145.8 Å²	145.8	81%	0.812	79%	0.789	S	S	*	*				-144.8	177.7	97.8	38.4	-23.2	0	0	0	113.9
779	K	22.3	Very low	24	Very low	190 Å²	190	147.3 Å²	147.3	83%	0.826	79%	0.791	S	S	*	*			cis	116.8	79.8	-11.3	-166.7	-118.3	172.2	-172.3	0	118.7
780	Q	23.4	Very low	24.2	Very low	197 Å²	197	151.8 Å²	151.8	92%	0.921	80%	0.8	S	S	*	*			trans	-157.7	-176.8	156.9	-118.4	169.2	8.3	0	0	113.8
781	S	23	Very low	24.5	Very low	109 Å²	109	146.7 Å²	146.7	76%	0.762	79%	0.789	S	S	*	*			trans	-163	152.2	-149	53.5	0	0	0	0	116.5
782	L	25.2	Very low	24.7	Very low	165 Å²	165	152.2 Å²	152.2	86%	0.864	81%	0.805	S	S	*	*			trans	-160.6	162.5	160.7	-109.9	156.7	0	0	0	114.7
783	N	22.9	Very low	24.9	Very low	142 Å²	142	154.1 Å²	154.1	76%	0.759	81%	0.806	S	S	*	*			trans	-82.9	166.2	-152.5	-57.4	-34.2	0	0	0	119.6
784	A	24	Very low	25	Very low	91 Å²	91	153.8 Å²	153.8	75%	0.752	80%	0.803	S	S	*	*			trans	68.4	147.1	149.4	0	0	0	0	0	119.2
785	L	24.2	Very low	24.6	Very low	164 Å²	164	157.4 Å²	157.4	86%	0.859	82%	0.816	S	S	*	*			cis	-148.4	-171.8	-9.3	-111.7	171.7	0	0	0	107.7
786	P	31.6	Very low	24.8	Very low	101 Å²	101	155.5 Å²	155.5	66%	0.656	81%	0.811	S	S	*	*			trans	-115	-172.2	-139.3	37.9	-21.1	0	0	0	117.4
787	I	24.4	Very low	24.8	Very low	145 Å²	145	156.5 Å²	156.5	74%	0.744	81%	0.812	S	S	*	*			trans	104.6	82.1	160.9	-53.5	155.9	0	0	0	116.8
788	R	24.5	Very low	24.9	Very low	239 Å²	239	152.8 Å²	152.8	90%	0.902	81%	0.811	S	S	*	*				177.3	131.1	102.9	-107.5	163.4	-174.6	-177.1	1.9	111.1
789	H	22.2	Very low	24.9	Very low	183 Å²	183	156.7 Å²	156.7	85%	0.847	82%	0.815	S	S	*	*			trans	-91.8	122	177.9	-70.9	-71.7	0	0	0	112
790	Y	25.5	Very low	25.1	Very low	241 Å²	241	157.5 Å²	157.5	95%	0.945	82%	0.819	S	S	*	*			trans	-113.3	123.9	137.8	-94.9	-86.3	0	0	0	107.2
791	S	24.9	Very low	25.2	Very low	82 Å²	82	156.1 Å²	156.1	57%	0.573	81%	0.812	S	S	*	*			trans	-109	98.4	-167	64.5	0	0	0	0	112.6	K793	S791-K793 VanDerWaalsContact C-N 3.27Å; S791-K793 PolarHBondContact O-N 3.35Å
792	E	26.5	Very low	25.3	Very low	201 Å²	201	156.5 Å²	156.5	94%	0.939	82%	0.815	S	S	*	*			trans	-70.9	86.1	160.9	-69	-156	125.7	0	0	109.8	A794	E792-A794 VanDerWaalsContact C-N 3.35Å; E792-A794 PolarHBondContact O-N 2.77Å
793	K	27	Very low	25.5	Very low	189 Å²	189	158.9 Å²	158.9	82%	0.822	81%	0.813	S	S	*	*			trans	-76.2	87.2	176.3	-83.1	-172.4	175.1	178.3	0	111.3	S791	S791-K793 VanDerWaalsContact C-N 3.27Å; S791-K793 PolarHBondContact O-N 3.35Å
794	A	24.3	Very low	25.6	Very low	81 Å²	81	161.6 Å²	161.6	67%	0.669	82%	0.818	S	S	*	*			trans	36.8	107	138.4	0	0	0	0	0	118.1	E792 V796	E792-A794 VanDerWaalsContact C-N 3.35Å; E792-A794 PolarHBondContact O-N 2.77Å; A794-V796 HydrophobicContact CB-CG2 4.41Å
795	L	25.2	Very low	25.9	Very low	187 Å²	187	163.6 Å²	163.6	98%	0.979	82%	0.815	S	S	*	*			trans	-92.7	100.2	155.3	-146	80.8	0	0	0	109.8
796	V	25.2	Very low	26	Very low	121 Å²	121	159.1 Å²	159.1	73%	0.733	80%	0.796	S	S	*	*			trans	-77.3	140	-178.5	173.8	0	0	0	0	111.5	A794	A794-V796 HydrophobicContact CB-CG2 4.41Å
797	T	22.8	Very low	25.9	Very low	134 Å²	134	164.8 Å²	164.8	82%	0.822	81%	0.806	S	S	*	*			trans	-28.8	126.9	179.6	56.7	0	0	0	0	117.4
798	S	27.3	Very low	26.3	Very low	121 Å²	121	165.3 Å²	165.3	85%	0.846	81%	0.805	S	S	*	*			trans	-106.4	162.5	155.1	70.2	0	0	0	0	111.1
799	K	26.9	Very low	26.6	Very low	208 Å²	208	159.4 Å²	159.4	90%	0.904	79%	0.79	S	S	*	*			trans	-84.6	134.6	-158.9	-68.5	176.6	-178.4	172.4	0	114.6	Q801	K799-Q801 PolarHBondContact O-N 2.92Å
800	K	25.2	Very low	27	Very low	206 Å²	206	160.8 Å²	160.8	90%	0.896	79%	0.788	S	S	*	*			trans	-4.5	107.7	156.8	-64.5	176.2	177.1	177.5	0	116.5
801	Q	25.9	Very low	27.5	Very low	168 Å²	168	153.2 Å²	153.2	79%	0.785	77%	0.771	S	S	*	*			trans	-124.5	113	138.4	-79.4	-163.3	-1.8	0	0	109.2	K799 R803	K799-Q801 PolarHBondContact O-N 2.92Å; Q801-R803 PolarHBondContact O-N 3.07Å
802	S	25.7	Very low	28.1	Very low	117 Å²	117	155 Å²	155	82%	0.818	78%	0.778	S	S	*	*			trans	-79.6	67.6	-179.1	44.2	0	0	0	0	111.9	K804	S802-K804 VanDerWaalsContact C-N 3.33Å; S802-K804 PolarHBondContact O-N 3.08Å
803	R	28.6	Very low	28.6	Very low	215 Å²	215	147.4 Å²	147.4	81%	0.811	75%	0.754	S	S	*	*			trans	-62	98	162.3	-77.9	-172	174.4	-171.7	-2.3	108.4	Q801 L805	Q801-R803 PolarHBondContact O-N 3.07Å; R803-L805 PolarHBondContact O-N 2.92Å
804	K	26.8	Very low	29.6	Very low	200 Å²	200	143.9 Å²	143.9	87%	0.87	74%	0.736	S	S	*	*			trans	-53.4	111.8	171.3	-68.3	178.8	177.9	178.3	0	107.9	S802	S802-K804 VanDerWaalsContact C-N 3.33Å; S802-K804 PolarHBondContact O-N 3.08Å
805	L	28.2	Very low	30.5	Very low	133 Å²	133	143.4 Å²	143.4	70%	0.696	73%	0.732	S	S	*	*			trans	-57.9	138.6	170.5	-103.9	75	0	0	0	108.7	R803 Y807 L809	R803-L805 PolarHBondContact O-N 2.92Å; L805-Y807 PolarHBondContact O-N 3.13Å; L805-L809 HydrophobicContact CD2-CB 4.31Å; L805-L809 HydrophobicContact CD2-CD1 3.98Å; L805-L809 HydrophobicContact CG-CD1 4.36Å
806	P	26.6	Very low	31.6	Very low	69 Å²	69	136.1 Å²	136.1	45%	0.448	70%	0.699	S	S	.	*			trans	-53.2	137.4	175.6	-28.2	35.8	0	0	0	111.8	H808 L809	P806-H808 WeakPolarHBondContact CB-CE1 3.29Å; P806-H808 PolarHBondContact O-N 3.05Å; P806-L809 PolarHBondContact O-N 3.09Å
807	Y	29.4	Very low	33	Very low	221 Å²	221	138 Å²	138	87%	0.867	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-58.1	-20.4	-170	-154.4	-98.9	0	0	0	114	L805	L805-Y807 PolarHBondContact O-N 3.13Å
808	H	34.7	Very low	34.2	Very low	156 Å²	156	134.7 Å²	134.7	72%	0.722	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-79.8	-10	177.8	58.5	-110	0	0	0	115.2	P806 R810	P806-H808 WeakPolarHBondContact CB-CE1 3.29Å; P806-H808 PolarHBondContact O-N 3.05Å; H808-R810 VanDerWaalsContact C-N 3.29Å
809	L	30.1	Very low	35.3	Very low	115 Å²	115	136.7 Å²	136.7	60%	0.602	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-82.6	-4.2	173	-78.7	172.4	0	0	0	113.5	L805 P806	L805-L809 HydrophobicContact CD2-CB 4.31Å; L805-L809 HydrophobicContact CD2-CD1 3.98Å; L805-L809 HydrophobicContact CG-CD1 4.36Å; P806-L809 PolarHBondContact O-N 3.09Å
810	R	31.2	Very low	36.8	Very low	211 Å²	211	128.5 Å²	128.5	80%	0.796	63%	0.63	S	S	*	*	S	Bend	trans	-94.2	95.5	161	-76.3	-174.9	171.1	-172.2	-4.6	109.3	H808 T812	H808-R810 VanDerWaalsContact C-N 3.29Å; R810-T812 VanDerWaalsContact C-N 3.35Å; R810-T812 PolarHBondContact O-N 2.7Å
811	S	34.8	Very low	38	Very low	83 Å²	83	126.2 Å²	126.2	58%	0.58	62%	0.615	S	S	*	*			trans	-68.6	90.4	165.9	39.7	0	0	0	0	109.7	G813 A816	S811-G813 PolarHBondContact O-N 3.26Å; S811-A816 WeakPolarHBondContact O-CB 3.49Å
812	T	37.6	Very low	39	Very low	119 Å²	119	121.9 Å²	121.9	73%	0.73	60%	0.597	S	S	*	*			trans	-68.3	3.5	-177.3	52	0	0	0	0	114.9	R810 R817	R810-T812 VanDerWaalsContact C-N 3.35Å; R810-T812 PolarHBondContact O-N 2.7Å; T812-R817 PolarHBondContact O-NH2 2.89Å
813	G	37.9	Very low	40.7	Very low	42 Å²	42	122.6 Å²	122.6	43%	0.433	59%	0.588	S	S	.	*	S	Bend	trans	-71.9	161.5	174	0	0	0	0	0	113.7	S811 A815 A816	S811-G813 PolarHBondContact O-N 3.26Å; G813-A815 VanDerWaalsContact C-N 3.27Å; G813-A815 PolarHBondContact O-N 3.33Å; G813-A816 PolarHBondContact O-N 3.21Å
814	Y	47.7	Very low	41.5	Very low	115 Å²	115	119.5 Å²	119.5	45%	0.451	58%	0.583	S	S	.	*	H	α-helix	trans	-56	-38.1	-176.5	-171.6	-78.3	0	0	0	113.1	F14 A816 R817 L818	F14-Y814 HydrophobicContact CD2-CE1 4.14Å; F14-Y814 HydrophobicContact CE1-CE1 4.13Å; F14-Y814 AromaticContact CE2-CD1 3.73Å; F14-Y814 HydrophobicContact CE2-CD1 3.73Å; F14-Y814 AromaticContact CE2-CE1 3.25Å; F14-Y814 HydrophobicContact CE2-CE1 3.25Å; F14-Y814 HydrophobicContact CE2-CE2 4.29Å; F14-Y814 HydrophobicContact CE2-CG 4.45Å; F14-Y814 AromaticContact CE2-CZ 3.56Å; F14-Y814 AromaticContact CZ-CD1 3.75Å; F14-Y814 HydrophobicContact CZ-CD1 3.75Å; F14-Y814 AromaticContact CZ-CE1 3.26Å; F14-Y814 HydrophobicContact CZ-CE1 3.26Å; F14-Y814 AromaticContact CZ-CZ 3.99Å; Y814-A816 PolarHBondContact O-N 3.35Å; Y814-A816 VanDerWaalsContact O-N 3.11Å; Y814-R817 CarbonylContact O-C 3.12Å; Y814-R817 WeakPolarHBondContact O-CA 3.49Å; Y814-R817 WeakPolarHBondContact O-CB 3.1Å; Y814-R817 PolarHBondContact O-N 2.91Å; Y814-L818 HydrophobicContact CD1-CB 4.15Å; Y814-L818 HydrophobicContact CE1-CB 3.97Å; Y814-L818 HydrophobicContact CE1-CD1 4.34Å; Y814-L818 PolarHBondContact O-N 3.06Å
815	A	42	Very low	42.1	Very low	71 Å²	71	115.1 Å²	115.1	59%	0.587	57%	0.572	S	S	*	*	H	α-helix	trans	-56.3	-29.8	-178.6	0	0	0	0	0	114.5	G813 R819	G813-A815 VanDerWaalsContact C-N 3.27Å; G813-A815 PolarHBondContact O-N 3.33Å; A815-R819 WeakPolarHBondContact O-CB 3.28Å; A815-R819 PolarHBondContact O-N 3.35Å
816	A	48.9	Very low	42.5	Very low	34 Å²	34	118.9 Å²	118.9	28%	0.281	59%	0.587	S	S	.	*	H	α-helix	trans	-74.5	-34.7	174	0	0	0	0	0	112.4	S811 G813 Y814 R819 A820	S811-A816 WeakPolarHBondContact O-CB 3.49Å; G813-A816 PolarHBondContact O-N 3.21Å; Y814-A816 PolarHBondContact O-N 3.35Å; Y814-A816 VanDerWaalsContact O-N 3.11Å; A816-R819 PolarHBondContact O-N 2.92Å; A816-A820 WeakPolarHBondContact O-CB 3.24Å; A816-A820 PolarHBondContact O-N 3.3Å
817	R	54	Low	43.3	Very low	161 Å²	161	121.4 Å²	121.4	61%	0.608	59%	0.594	S	S	*	*	H	α-helix	trans	-73.1	-31.7	173.7	-77.4	-179.8	-84.3	-173.6	-7.1	112.4	T812 Y814 R821	T812-R817 PolarHBondContact O-NH2 2.89Å; Y814-R817 CarbonylContact O-C 3.12Å; Y814-R817 WeakPolarHBondContact O-CA 3.49Å; Y814-R817 WeakPolarHBondContact O-CB 3.1Å; Y814-R817 PolarHBondContact O-N 2.91Å; R817-R821 VanDerWaalsContact O-CB 3.31Å; R817-R821 WeakPolarHBondContact O-CB 3.31Å; R817-R821 WeakPolarHBondContact O-CG 3.37Å; R817-R821 PolarHBondContact O-N 2.97Å
818	L	49	Very low	44.1	Very low	63 Å²	63	116.2 Å²	116.2	33%	0.33	58%	0.579	S	S	.	*	H	α-helix	trans	-66.2	-45.1	170.5	-174.2	64.1	0	0	0	110.9	F14 Y814 R821 L822	F14-L818 HydrophobicContact CE1-CD2 3.98Å; F14-L818 HydrophobicContact CZ-CD2 4.15Å; Y814-L818 HydrophobicContact CD1-CB 4.15Å; Y814-L818 HydrophobicContact CE1-CB 3.97Å; Y814-L818 HydrophobicContact CE1-CD1 4.34Å; Y814-L818 PolarHBondContact O-N 3.06Å; L818-R821 PolarHBondContact O-N 2.97Å; L818-L822 HydrophobicContact CG-CD1 4.38Å; L818-L822 WeakPolarHBondContact O-CG 3.4Å; L818-L822 PolarHBondContact O-N 3.27Å
819	R	50.6	Low	44.6	Very low	164 Å²	164	113.9 Å²	113.9	62%	0.619	57%	0.571	S	S	*	*	H	α-helix	trans	-63.8	-47	176.8	-170.4	174.9	-66	141.2	2.4	112.3	A815 A816 R821 L822 E823	A815-R819 WeakPolarHBondContact O-CB 3.28Å; A815-R819 PolarHBondContact O-N 3.35Å; A816-R819 PolarHBondContact O-N 2.92Å; R819-R821 VanDerWaalsContact C-N 3.32Å; R819-R821 PolarHBondContact O-N 3.28Å; R819-L822 WeakPolarHBondContact O-CB 3.27Å; R819-L822 PolarHBondContact O-N 3.09Å; R819-L822 VanDerWaalsContact O-N 3.11Å; R819-E823 WeakPolarHBondContact CG-OE1 2.97Å; R819-E823 WeakPolarHBondContact O-CG 3.46Å; R819-E823 PolarHBondContact O-N 3.16Å
820	A	58	Low	45.4	Very low	36 Å²	36	113.9 Å²	113.9	30%	0.298	57%	0.57	S	S	.	*	H	α-helix	trans	-59.6	-40.8	174.6	0	0	0	0	0	112.4	A816 L822 E823 E824	A816-A820 WeakPolarHBondContact O-CB 3.24Å; A816-A820 PolarHBondContact O-N 3.3Å; A820-L822 VanDerWaalsContact C-N 3.3Å; A820-L822 PolarHBondContact O-N 2.74Å; A820-E823 CarbonylContact O-C 3.39Å; A820-E823 WeakPolarHBondContact O-CB 3.31Å; A820-E823 PolarHBondContact O-N 3.2Å; A820-E824 WeakPolarHBondContact O-CB 3.23Å; A820-E824 VanDerWaalsContact O-CG 3.3Å; A820-E824 WeakPolarHBondContact O-CG 3.42Å; A820-E824 PolarHBondContact O-N 3.04Å
821	R	50	Low	46.3	Very low	157 Å²	157	107.8 Å²	107.8	59%	0.592	56%	0.555	S	S	*	*	H	α-helix	trans	-65.8	-29.1	175.2	-83.2	179.7	168.2	-170	-6.6	114.2	R817 L818 R819 T825	R817-R821 VanDerWaalsContact O-CB 3.31Å; R817-R821 WeakPolarHBondContact O-CB 3.31Å; R817-R821 WeakPolarHBondContact O-CG 3.37Å; R817-R821 PolarHBondContact O-N 2.97Å; L818-R821 PolarHBondContact O-N 2.97Å; R819-R821 VanDerWaalsContact C-N 3.32Å; R819-R821 PolarHBondContact O-N 3.28Å; R821-T825 WeakPolarHBondContact O-CG2 3.38Å; R821-T825 PolarHBondContact O-N 2.76Å; R821-T825 PolarHBondContact O-OG1 3.41Å
822	L	47.5	Very low	47.1	Very low	77 Å²	77	109.5 Å²	109.5	40%	0.403	55%	0.554	S	S	.	*	H	α-helix	trans	-71.9	-41.7	173.1	-71	162.8	0	0	0	110.3	L818 R819 A820 E824 T825	L818-L822 HydrophobicContact CG-CD1 4.38Å; L818-L822 WeakPolarHBondContact O-CG 3.4Å; L818-L822 PolarHBondContact O-N 3.27Å; R819-L822 WeakPolarHBondContact O-CB 3.27Å; R819-L822 PolarHBondContact O-N 3.09Å; R819-L822 VanDerWaalsContact O-N 3.11Å; A820-L822 VanDerWaalsContact C-N 3.3Å; A820-L822 PolarHBondContact O-N 2.74Å; L822-E824 VanDerWaalsContact C-N 3.25Å; L822-E824 PolarHBondContact O-N 2.77Å; L822-T825 PolarHBondContact O-N 2.89Å; L822-T825 PolarHBondContact O-OG1 2.81Å
823	E	62.1	Low	47.8	Very low	132 Å²	132	108.8 Å²	108.8	62%	0.617	54%	0.541	S	S	*	.	H	α-helix	trans	-66.1	-22	172.8	-65.9	162.9	-171.7	0	0	113	R819 A820	R819-E823 WeakPolarHBondContact CG-OE1 2.97Å; R819-E823 WeakPolarHBondContact O-CG 3.46Å; R819-E823 PolarHBondContact O-N 3.16Å; A820-E823 CarbonylContact O-C 3.39Å; A820-E823 WeakPolarHBondContact O-CB 3.31Å; A820-E823 PolarHBondContact O-N 3.2Å
824	E	45.2	Very low	48.5	Very low	151 Å²	151	113.9 Å²	113.9	71%	0.706	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	3.5	173.9	-72.8	171.4	163.3	0	0	113.7	A820 L822	A820-E824 WeakPolarHBondContact O-CB 3.23Å; A820-E824 VanDerWaalsContact O-CG 3.3Å; A820-E824 WeakPolarHBondContact O-CG 3.42Å; A820-E824 PolarHBondContact O-N 3.04Å; L822-E824 VanDerWaalsContact C-N 3.25Å; L822-E824 PolarHBondContact O-N 2.77Å
825	T	37.7	Very low	48.6	Very low	107 Å²	107	113.8 Å²	113.8	66%	0.656	56%	0.558	S	S	*	*			trans	-116.5	13.5	180	51.4	0	0	0	0	114.5	R821 L822	R821-T825 WeakPolarHBondContact O-CG2 3.38Å; R821-T825 PolarHBondContact O-N 2.76Å; R821-T825 PolarHBondContact O-OG1 3.41Å; L822-T825 PolarHBondContact O-N 2.89Å; L822-T825 PolarHBondContact O-OG1 2.81Å
826	E	38	Very low	49.2	Very low	213 Å²	213	117.7 Å²	117.7	100%	0.995	56%	0.555	S	S	*	*			trans	-106.5	0	169.2	-67.3	179.4	-178.6	0	0	110.3

Retrieved 826 of 826 residues in 173.1 ms (Link to these results)

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